smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features O=C1NC(=S)S/C1=C\c1cccc(OCc2ccccc2)c1 1199750 CPLDJHALZBPVNS-GDNBJRDFSA-N 327.430 3.754 10 40 EHCB CN(C)c1ccc([C@H]2CC(c3ccco3)=NN2C(=O)c2ccco2)cc1 58196768 JFIMFBFEZAVQGL-QGZVFWFLSA-N 349.390 3.930 10 40 EHCB CCOCc1ccccc1NC(=O)NCc1ccc(N(C)C)c(F)c1 58636006 UOBYNVZQTIQZDA-UHFFFAOYSA-N 345.418 3.750 10 40 EHCB Cc1cc(NC(=O)N(C)Cc2ccccc2O)ccc1N1CCCC1 65564967 ZWWSDSOPJXOZPG-UHFFFAOYSA-N 339.439 3.965 10 40 EHCB CC(=O)c1cccc(N2C(=O)/C(=C\c3ccncc3)SC2=S)c1 27530457 FZKYBHIHIXDQSV-OQLLNIDSSA-N 340.429 3.690 10 40 EHCB CCc1ccccc1NC1=NC(=O)/C(=C\c2ccc(O)c(O)c2)S1 35644331 BHZIWISPUXHPLG-MHWRWJLKSA-N 340.404 3.743 10 40 EHCB CCN1C(=O)S/C(=C\c2cc(C)n(-c3ccccn3)c2C)C1=O 1130619 VFBHDUIGFYCUKA-UVTDQMKNSA-N 327.409 3.545 10 40 EHCB CCc1ccccc1NC1=NC(=O)/C(=C2/C(=O)Nc3ccccc32)S1 5373301 LLVLRJSAJIOVIT-NXVVXOECSA-N 349.415 3.654 10 40 EHCB Cc1cccc2[nH]cc(CCNC(=O)N(C)Cc3ccccc3O)c12 71799702 ZZERILJAQBUASV-UHFFFAOYSA-N 337.423 3.566 10 40 EHCB O=[N+]([O-])c1ccc(O)c(CNC[C@@H]2CCCO[C@H]2c2ccccc2)c1 98009359 CUCNNHDXOSVPAL-KXBFYZLASA-N 342.395 3.558 10 40 EHCB O=C1/C(=C/c2cccs2)C(O)=NC(=S)N1c1ccc(F)cc1 1252572 KYGARRWPJBIUGI-XYOKQWHBSA-N 332.381 3.559 10 40 EHCB CCN(CC)c1ccc(CN2CCN(Cc3ccccc3)CC2)cc1 19634501 AFXWZAVSWOSACX-UHFFFAOYSA-N 337.511 3.851 10 40 EHCB COC(=O)c1sc2c(cnc3ccc(C(F)(F)F)cc32)c1O 40175528 XILKJIXQICXIKJ-UHFFFAOYSA-N 327.283 3.961 10 40 EHCB COC(=O)CCNC(=O)c1cc(C)n(-c2cccc(C(C)C)c2)c1C 48341287 WWAVZBLFLHNPMG-UHFFFAOYSA-N 342.439 3.510 10 40 EHCB Cc1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)c(C)n1C(C)C 409221572 SDNNLKZBRHHJFB-WOJGMQOQSA-N 337.423 3.779 10 40 EHCB O=C(O)c1ccc(/N=N\[C@@H]2Sc3nc4ccccc4n3C2=O)cc1 103899423 JEFOVHPYTCSNLA-LTFJSZEESA-N 338.348 3.590 10 40 EHCB S=C(NCc1ccc(N2CCCC2)cc1)Nc1cccnc1Cl 223951323 JSQFXXPPIBPFJP-UHFFFAOYSA-N 346.887 3.822 10 40 EHCB Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C)n1-c1ccccc1 222764016 YJXIOZCIFPMTGR-RTBURBONSA-N 348.475 3.783 10 40 EHCB COc1ccc(O)c([C@@H](C)NCc2c(C)nc3sc(C)cn23)c1 585140863 KFYSVAVNVVLDGH-LLVKDONJSA-N 331.441 3.578 10 40 EHCB COc1ccc(S(=O)(=O)Nc2nc(-c3ccccc3)cs2)cc1 5014548 TZFOUZAMYBKJIS-UHFFFAOYSA-N 346.433 3.620 10 40 EHCB C[C@H](NCc1ccc2c(c1)CCO2)c1ccc(N2CCCC2=O)cc1 65475961 AVLOJUPRTPXYMW-HNNXBMFYSA-N 336.435 3.599 10 40 EHCB CCOc1ccc(/C=C2/SC(N3CCCC[C@@H]3C)=NC2=O)cc1 83302995 WWNLMMULTKPOKY-HKJJFUAXSA-N 330.453 3.930 10 40 EHCB COC(=O)CC/C(=C1/C=C(c2ccccc2)NC1=O)c1ccccc1 491472 VUCRHWXFLZOEEP-ISLYRVAYSA-N 333.387 3.564 10 40 EHCB O=C1NC(=S)S/C1=C/c1ccc(OCc2ccccc2F)cc1 5771941 XJZXPXKYNCMHMM-OQLLNIDSSA-N 345.420 3.894 10 40 EHCB CCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(C)cn3)c2C)C1=O 409116119 LSKKDCMJVCJHKO-OQLLNIDSSA-N 341.436 3.854 10 40 EHCB Cc1cc(C)c(NC(=O)NCc2cc([N+](=O)[O-])ccc2O)c(C)c1 43150708 PASHTVKJZZTRNZ-UHFFFAOYSA-N 329.356 3.547 10 40 EHCB O=[N+]([O-])c1ccc(O)c(CNCc2ccc(Cl)cc2Cl)c1 57567063 XLAHUFSOMVCGLG-UHFFFAOYSA-N 327.167 3.897 10 40 EHCB COC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1ccc(C)cc1 408896289 XMBQHGVABUWQDI-AQTBWJFISA-N 333.387 3.872 10 40 EHCB Cc1cc(/C=C2/SC(=S)N(c3cccnc3)C2=O)cc(C)c1O 96401237 ACPHKDOASVMRJV-RIYZIHGNSA-N 342.445 3.810 10 40 EHCB CCO[C@H](C)c1noc(CSc2ncc(-c3ccccc3)n2C)n1 71914709 DUZVTWRMLAEVJV-GFCCVEGCSA-N 344.440 3.860 10 40 EHCB COc1ccc(OC)c(/C=C2\C=C(c3ccc(F)cc3)OC2=O)c1 409050915 DCIHVOMIZCNQPV-NTEUORMPSA-N 326.323 3.824 10 40 EHCB CCOc1ccc(CNCc2cc(Br)ccc2O)cc1 40477064 STFSUVZOVYOVSN-UHFFFAOYSA-N 336.229 3.843 10 40 EHCB CCN(CCNC(=O)c1ccc(C)cc1Cl)c1ccc(OC)cc1 225005480 WDHUBQLWTSKXLV-UHFFFAOYSA-N 346.858 3.913 10 40 EHCB Cc1ccc(/N=N\c2ccc(N)c3ccccc23)c(S(N)(=O)=O)c1 100500782 OWLZUIVKBHHMIF-MRCUWXFGSA-N 340.408 3.793 10 40 EHCB CC[C@@H](C)c1ccc(NS(=O)(=O)c2cccc3nonc23)cc1 14255821 NWPITUXQTFMUCW-LLVKDONJSA-N 331.397 3.537 10 40 EHCB COc1ccccc1NC1=NC(=O)/C(=C\c2ccc(F)cc2)S1 35647328 BBGPAGDHWQQVOJ-XNTDXEJSSA-N 328.368 3.917 10 40 EHCB Cc1ccc(N2C(=O)/C(=C/Nc3nccs3)SC2=S)cc1 618254569 FDDSLOBLPDDFSZ-FLIBITNWSA-N 333.463 3.770 10 40 EHCB O=C1c2ccccc2C(=O)c2cc(NC(=O)C34CCC(CC3)C4)ccc21 5445982 JEFMEIDRNFUZMB-UHFFFAOYSA-N 345.398 3.981 10 40 EHCB Cc1c(F)c(F)c(NNC(=S)Nc2ccccc2)c(F)c1F 2561549 QOKJRRLFKWTZHQ-UHFFFAOYSA-N 329.322 3.865 10 40 EHCB COc1ccc(N2CCN(C(=S)c3ccc(C)cc3)CC2)cc1 4711318 TWVJOPWUSWXUDU-UHFFFAOYSA-N 326.465 3.501 10 40 EHCB Fc1ccc(NC(=S)NCCCN2CCc3ccccc32)c(F)c1 225559929 UOVYDXJYEKTASY-UHFFFAOYSA-N 347.434 3.704 10 40 EHCB COC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1cccc(F)c1 563178 JWAPLWRRQFMDDX-ATVHPVEESA-N 337.350 3.703 10 40 EHCB CCN1C(=O)/C(=C/c2ccc(F)c(Br)c2)SC1=S 2119845 VMPCRVOQEFXATB-POHAHGRESA-N 346.246 3.809 10 40 EHCB CCN1C(=O)S/C(=C\c2cc(F)c(N3CCCC3)cc2C)C1=O 6387036 ZICBYGHOSAIJRB-GDNBJRDFSA-N 334.416 3.791 10 40 EHCB O=c1oc2c(CN3CCCCC3)c(O)c(Cl)cc2c2c1CCC2 20132568 UCAWPPJCMYQVAR-UHFFFAOYSA-N 333.815 3.627 10 40 EHCB C[C@@H]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(N(C)C)cc2)N3)C1 2492914 WJTMEJQKQJALTH-DIFFPNOSSA-N 341.480 3.793 10 40 EHCB Cc1cc(C)cc(OCC(=O)NCc2ccc(N3CCCC3)cc2)c1 10113665 BPWKVAYJPBFTKU-UHFFFAOYSA-N 338.451 3.599 10 40 EHCB Cc1cc(N(Cc2ccco2)Cc2ccccc2O)ncc1[N+](=O)[O-] 95460484 PRVHPZKGDSEGSX-UHFFFAOYSA-N 339.351 3.804 10 40 EHCB CCN(CC)c1ccc(CNC(=O)[C@@H](C)Oc2cccc(C)c2)cc1 222988872 DXLXHUZHTIDWQQ-QGZVFWFLSA-N 340.467 3.925 10 40 EHCB CN(C)c1ccc(/C=C2/SC(NCc3ccccc3)=NC2=O)cc1 133227 MZALXMDFGMVKND-SFQUDFHCSA-N 337.448 3.513 10 40 EHCB COc1ccc(OC)c(C2=C/C(=C/c3ccccc3OC)C(=O)O2)c1 408723563 WNFXVGSGZKXWPP-UVTDQMKNSA-N 338.359 3.694 10 40 EHCB O=S(=O)(O)c1cccc(/N=N/c2ccc3c(O)cccc3c2O)c1 6133709 UWKRNTUZFVYPLZ-ISLYRVAYSA-N 344.348 3.913 10 40 EHCB Oc1cc(CNC2CCCCC2)c(O)cc1CNC1CCCCC1 1679797 KLOQXDRZVQWPHQ-UHFFFAOYSA-N 332.488 3.942 10 40 EHCB Cc1cc(/C=C2\NC(=S)N(c3ccccc3)C2=O)c(C)n1C1CC1 409123960 IMUDAWOLZKFAIL-BOPFTXTBSA-N 337.448 3.702 10 40 EHCB CCOC(=O)C1=C(C)N=C2SC=CN2[C@@H]1c1ccc(N(C)C)cc1 6026522 AQTLIHGIRPQXOO-MRXNPFEDSA-N 343.452 3.520 10 40 EHCB CC(=O)c1ccc(N/C=C2\C(=O)N(c3ccc(C)cc3)N=C2C)cc1 100922877 YBFKGTIQKYKDFQ-UNOMPAQXSA-N 333.391 3.916 10 40 EHCB CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@H](C)c1ccncc1 72289641 GZURRWPBFQRWOC-MRXNPFEDSA-N 340.471 3.829 10 40 EHCB O=c1oc2c(CN3CCCCCC3)c(O)ccc2c2c1CCCC2 150029 SCCQFAQJECPUFQ-UHFFFAOYSA-N 327.424 3.753 10 40 EHCB Cc1cc(C(=O)[C@H](C)Sc2nnc[nH]2)c(C)n1-c1ccccc1 5620805 ISEBWACIVMVDOY-ZDUSSCGKSA-N 326.425 3.576 10 40 EHCB COc1cccc(/C=C2\SC(Nc3ccc(C)cc3)=NC2=O)c1O 12610264 OLDKETMMAFOXPV-GDNBJRDFSA-N 340.404 3.792 10 40 EHCB CCOC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1ccc(C)cc1 13562282 HIHLZVWLSNKGHF-BOPFTXTBSA-N 327.424 3.714 10 40 EHCB O=C1NC(=S)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)S1 16713007 NYGLSIBLLIHMHR-GHXNOFRVSA-N 332.362 3.980 10 40 EHCB CC1(C)OC(c2ccccc2)=C/C(=C/C=C2\SC(=S)NC2=O)O1 5465135 WSQKRYJRRFLORP-RXAUVDRZSA-N 345.445 3.726 10 40 EHCB CCCOc1ccc(/C=C2\SC(=S)NC2=O)c(OCCC)c1 7740616 PGWAURMZTXPYGU-ZROIWOOFSA-N 337.466 3.753 10 40 EHCB CCc1ccc(OCC(=O)NCc2ccc(N(CC)CC)cc2)cc1 223314007 LARGHFMDKTWKBW-UHFFFAOYSA-N 340.467 3.790 10 40 EHCB O=C1/C(=C\c2ccccc2O)C(C(F)(F)F)=NN1c1ccccc1 408970984 BZMLPZXKEFDOCN-RAXLEYEMSA-N 332.281 3.741 10 40 EHCB O=C1N=C(NC(=O)c2ccccc2)S/C1=C\C=C\c1ccccc1 409131321 IGBNUCCXVMRYSH-SBFJKYRKSA-N 334.400 3.643 10 40 EHCB O=C(O)[C@@H]1[C@H]2CC=C[C@@H]2c2cc(Cl)cc3c2N1C[C@@H]1CC=C[C@@H]31 4131720 XIFMNZHDPSPECA-KTORYTAQSA-N 327.811 3.946 10 40 EHCB Cc1cc(NS(=O)(=O)c2ccccc2)c(Cl)c(Cl)c1O 5923002 IMWWNIPSXVIARR-UHFFFAOYSA-N 332.208 3.808 10 40 EHCB Cc1cc(C(=O)OCC(=O)c2ccc[nH]2)c(C)n1-c1ccc(F)cc1 7786667 SKCSDGHZGCUDTJ-UHFFFAOYSA-N 340.354 3.601 10 40 EHCB CCOc1nc(N)nc(C)c1/N=N/c1ccc(Br)cc1 17781155 VFWCXNVEPUCKEV-VHEBQXMUSA-N 336.193 3.944 10 40 EHCB CCN(CCNC(=O)c1cc(C)ccc1C)c1ccc(OC)cc1 225053989 IXTYXYRNHZHFCI-UHFFFAOYSA-N 326.440 3.568 10 40 EHCB CC(C)Oc1ccccc1/C=C1/SC(N2CCCCC2)=NC1=O 524359 LIGPHZVOOQDFAE-FOWTUZBSSA-N 330.453 3.930 10 40 EHCB CC1(C)c2ccccc2N2CC(=O)N[C@@]21/C=C/c1c[nH]c2ccccc12 2405493 WCUQBPHRWXOCRN-LEQVUBRHSA-N 343.430 3.805 10 40 EHCB Cc1cccc(NCc2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c1C 216737201 OXPFCWIGXOVQAF-UHFFFAOYSA-N 341.411 3.660 10 40 EHCB C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@H]2c2ccc(N(C)C)cc2)S1 260778390 RNJNNFWPERLUPS-FSPWUOQZSA-N 338.480 3.737 10 40 EHCB C[C@H](NC(=O)CC1CCN(C)CC1)c1ccc(N2CCCCC2)cc1 216904467 ADTQVXDHWDSDIE-KRWDZBQOSA-N 343.515 3.586 10 40 EHCB CC[C@H](C(=O)O)N1C(=O)/C(=C/C(C)=C/c2ccccc2)SC1=S 1791194 KJENGCMUGBOVLB-FIECFQFYSA-N 347.461 3.697 10 40 EHCB CCN1C(=O)/C(=C/c2coc3cc(C)cc(C)c3c2=O)SC1=S 5715770 KDVNIPBXBPCKPO-QPEQYQDCSA-N 345.445 3.631 10 40 EHCB O=C1/C(=C/c2cccc(O)c2)SC(=S)N1Cc1ccccc1 33906334 FQAVMUGOZJXNBR-GDNBJRDFSA-N 327.430 3.794 10 40 EHCB Cc1cc(/C=C2/NC(=O)N(c3ccccc3)C2=O)c(C)n1C(C)(C)C 409012186 JLSGUIPCFFSDCA-SFQUDFHCSA-N 337.423 3.957 10 40 EHCB COc1ccc2ccccc2c1C=C1C(=O)OC2(CCCC2)OC1=O 110986 BIEPXDRXVRZLLN-UHFFFAOYSA-N 338.359 3.602 10 40 EHCB COCc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)ccc1OC 6489740 QYFKEAVBIPEAGI-LDADJPATSA-N 336.391 3.648 10 40 EHCB CCN1C(=O)/C(=C\c2ccc(Cl)cc2Cl)C(C(=O)OC)=C1C 113032 ZQECWHFFGFGHAL-GHXNOFRVSA-N 340.206 3.686 10 40 EHCB COc1ccc(C2=C/C(=C\c3cccc(OC)c3OC)C(=O)O2)cc1 17314815 JRFWQBVKCVSPTO-RVDMUPIBSA-N 338.359 3.694 10 40 EHCB CC1=NN(c2ccc(F)cc2)C(=O)/C1=C\Nc1ccc2nc(C)[nH]c2c1 4852177 XQHPMSCUDIVDPY-YBEGLDIGSA-N 349.369 3.729 10 40 EHCB Oc1cc2c(cc1CN1CCO[C@H](c3ccc(F)cc3)C1)CCC2 40061138 PRFSEPXZGQLCTL-FQEVSTJZSA-N 327.399 3.594 10 40 EHCB O=C(Nc1cccs1)N(Cc1ccccc1O)C[C@H]1CCCO1 69514350 ULFCUKMAAXHHHF-CQSZACIVSA-N 332.425 3.667 10 40 EHCB CCN(CC)c1ccc(CNC(=O)COc2ccccc2C)cc1 225231393 MHBMMCZTUWZJJX-UHFFFAOYSA-N 326.440 3.536 10 40 EHCB O=C1Nc2ccccc2S/C1=C/c1ccc(N2CCOCC2)cc1 409094992 ASWKBKDLRVJXSF-QGOAFFKASA-N 338.432 3.609 10 40 EHCB CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C/NNc1ccc(C)cc1 206843 IXOCSVRHXSKMBQ-XDHOZWIPSA-N 334.423 3.835 10 40 EHCB CCOc1cc(/C=C2/C=C(c3ccc(OC)cc3)OC2=O)ccc1O 17314817 CYIBQEWBZXZIKY-GDNBJRDFSA-N 338.359 3.781 10 40 EHCB CCn1c(-c2ccccc2)cnc1SCC(=O)N[C@H](C)C(C)C 7126676 ZDDHGVXRVYBUAW-CQSZACIVSA-N 331.485 3.823 10 40 EHCB CN(C)c1ccc(CNC(=O)Nc2nc3ccccc3s2)cc1F 58514979 XNNOHDFMSJZUPT-UHFFFAOYSA-N 344.415 3.823 10 40 EHCB C[C@@H]1CCCN(c2ccc(CNC(=O)Cc3ccccc3F)cc2)C1 225449523 ULOPXEZLFHLQIY-MRXNPFEDSA-N 340.442 3.921 10 40 EHCB C[C@H]1CCCCN1Cc1c(O)ccc2c3c(c(=O)oc12)CCCC3 2549605 DXYXRSDPVQPTJR-ZDUSSCGKSA-N 327.424 3.752 10 40 EHCB COc1ccc(NC2=NC(=O)/C(=C/c3ccccc3)S2)c(OC)c1 5376266 CBXGFJRHSDUFDM-YBEGLDIGSA-N 340.404 3.786 10 40 EHCB CCc1ccc(/C=C2\C(=O)N(CC(C)C)C(C)=C2C(=O)OC)cc1 409061795 IGKITXSYRQYTIC-BOPFTXTBSA-N 327.424 3.578 10 40 EHCB CCCOC(=O)CCN1C(=O)/C(=C/c2ccc(C)cc2)SC1=S 2217112 NIXOKRATIXCAJJ-KAMYIIQDSA-N 349.477 3.540 10 40 EHCB O=C1O/C(=C2\SC(=S)N(c3ccccc3)C2=O)c2ccccc21 16737651 RWMYSDXYRGRRHU-YPKPFQOOSA-N 339.397 3.591 10 40 EHCB COC(=O)c1ccc(NCc2cc(Br)ccc2O)cc1 40477102 TZZARNCRFCIPIR-UHFFFAOYSA-N 336.185 3.553 10 40 EHCB C[C@@H]1CCCN(c2ccc(CNC(=O)Cc3ccc(F)cc3)cc2)C1 223793633 SPGPBOQXRBSNJJ-MRXNPFEDSA-N 340.442 3.921 10 40 EHCB COc1ccc(/N=N/N=c2\sc3cc(OC)ccc3n2C)cc1 104265263 YVBHXLSKGYTHJX-JQNBNMKOSA-N 328.397 3.857 10 40 EHCB COC(=O)C1=C(C)N(C2CCCCC2)C(=O)/C1=C\c1cccc(F)c1 573263 BXFXJZIZRIRFDM-ATVHPVEESA-N 343.398 3.831 10 40 EHCB CC1=NN(c2ccc(C)cc2C)C(=O)/C1=C\Nc1cccc(C(=O)O)c1 16284825 QZNAQIQUEOPKQM-BOPFTXTBSA-N 349.390 3.720 10 40 EHCB CCOc1ccc(N[C@@H]2SC(=S)N(c3ccccc3)C2=O)cc1 6712531 OCJUOZBMBQOIPJ-OAHLLOKOSA-N 344.461 3.888 10 40 EHCB Cc1cc2c(cc1C)N1C(=N)/C(=C/c3ccc(O)cc3)C(=O)N=C1S2 49908106 NZAACQBEUZGFHZ-FMVWKBIMSA-N 349.415 3.878 10 40 EHCB COc1ccc(OC)c(Nc2nc(-c3ccc(O)c(O)c3)cs2)c1 784488 ZQSLGQRZQJNCGM-UHFFFAOYSA-N 344.392 3.982 10 40 EHCB Cc1ccc(/C=C2\C(=O)N(c3ccccc3C)C(=S)N=C2O)o1 13774429 WDONBDOGYNMDAI-LCYFTJDESA-N 326.377 3.568 10 40 EHCB Cc1ccc(S(=O)(=O)/N=N/[C@H](C)c2ccc(C(=O)O)cc2)cc1 16309069 AITQXQCRHZQDPG-PFFGMESJSA-N 332.381 3.595 10 40 EHCB C/C(NCC(C)C)=C1/C(=O)N(c2ccccc2)N=C1c1ccccc1 112111560 UAHNUDWQPJAVGK-MNDPQUGUSA-N 333.435 3.957 10 40 EHCB CCN(CC)c1ccc(CNC(=O)COc2cc(C)ccc2C)cc1 223341112 WLKNXDUIMFJFCW-UHFFFAOYSA-N 340.467 3.845 10 40 EHCB O=C1/C(=C\c2ccccc2O)SC(=S)N1Cc1ccccc1 13756587 VLXOALANDYHFIS-XNTDXEJSSA-N 327.430 3.794 10 40 EHCB CCOC(=O)c1c(C)nc2c(c1-c1cccnc1)C(=O)c1ccccc1-2 4372277 CGUMPEZPFJTMED-UHFFFAOYSA-N 344.370 3.840 10 40 EHCB CN1C(=O)/C(=C/c2cc(Cc3ccccc3)ccc2O)SC1=S 4675217 YOZPSZZZHYTQPM-WJDWOHSUSA-N 341.457 3.814 10 40 EHCB COc1ccc(Cc2nc(-c3ccc(O)c(O)c3)cs2)cc1OC 23624880 KBQOHZSCZYQPGO-UHFFFAOYSA-N 343.404 3.829 10 40 EHCB CC(=O)c1cccc(N2C(=O)/C(=C\c3ccccn3)SC2=S)c1 27530455 PQZNOFROIFWYNP-XNTDXEJSSA-N 340.429 3.690 10 40 EHCB CCOc1ccc(N[C@H]2SC(=S)N(c3ccccc3)C2=O)cc1 6712529 OCJUOZBMBQOIPJ-HNNXBMFYSA-N 344.461 3.888 10 40 EHCB CCN1C(=O)/C(=C\Nc2ccc(C(F)(F)F)cc2)SC1=S 6791912 FGFOPWPLRWFUKZ-JXMROGBWSA-N 332.372 3.839 10 40 EHCB COc1ccc(-c2nc(/C=C3/SC(=S)N(C)C3=O)cs2)cc1 96935930 ALIDOQZQXCJMRI-KPKJPENVSA-N 348.474 3.650 10 40 EHCB CC1=NN(c2cccc(C)c2)C(=O)/C1=C\Nc1ccc(Cl)cn1 408531354 KJGPWILXSJSCDN-GDNBJRDFSA-N 326.787 3.762 10 40 EHCB O=C1NN=C(c2ccccc2)/C1=C/Nc1ccc(C(F)(F)F)cc1 100329339 IHNMVALFEBJQGR-UVTDQMKNSA-N 331.297 3.535 10 40 EHCB CN(C(=O)/C=C/c1cnn(C)c1)c1ccc(Oc2ccccc2)cc1 63829668 OAOHUDFFACVSAJ-MDWZMJQESA-N 333.391 3.889 10 40 EHCB CCCC(=O)N1N=C(c2ccc(O)c(OC)c2)C[C@H]1c1ccccc1 95945949 UAQCXMXAIRJESZ-KRWDZBQOSA-N 338.407 3.879 10 40 EHCB Cc1ccc(N2NC(=O)/C(=C\C=C\c3ccccc3Cl)C2=O)cc1 340385 OOWXYMYKDDAYPP-ANSBUGDOSA-N 338.794 3.666 10 40 EHCB CC[C@@H](C)[C@@H](C(=O)O)N1C(=O)/C(=C/c2cccc(C)c2)SC1=S 5373463 FARBAWLPXWCQJK-SYKXKWPBSA-N 349.477 3.696 10 40 EHCB CN1C(=O)N=C(O)/C(=C/c2c(-c3ccccc3)[nH]c3ccccc23)C1=O 9319843 TZVILGDGNQDHNP-PTNGSMBKSA-N 345.358 3.767 10 40 EHCB O=C1NN(c2ccccc2)C(=O)/C1=C/c1ccc(-c2ccccc2)cc1 6927822 XUPIXVWQAXKFBI-HMMYKYKNSA-N 340.382 3.815 10 40 EHCB COc1cc2c(cc1OC)CN(Cc1cc(C)c(C)cc1O)CC2 7076436 YJWZWXONRHPKMT-UHFFFAOYSA-N 327.424 3.585 10 40 EHCB Cc1ccc(C)c(NCc2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c1 216737141 UKWKQZATNUJSJX-UHFFFAOYSA-N 341.411 3.660 10 40 EHCB Fc1cccc(NC(=S)NCc2ccc(N3CCCC3)cc2)c1 225423960 PYGKOBPTSXETSV-UHFFFAOYSA-N 329.444 3.913 10 40 EHCB Cc1cc(SCC(=O)c2ccc(O)c(O)c2)nc2ccccc12 798778 NDUNCUKJSWCQAS-UHFFFAOYSA-N 325.389 3.929 10 40 EHCB CCN1C(=O)[C@@H](Cc2cc(C(C)C)c(OC)cc2C)SC1=S 6952980 TWMFJPXQVCZLKT-OAHLLOKOSA-N 337.510 3.918 10 40 EHCB Cc1ccccc1O[C@@H](C)C(=O)NCc1ccc(N2CCCC2)cc1 20457845 ICEVCNRGWIKVMU-KRWDZBQOSA-N 338.451 3.679 10 40 EHCB O=C(c1ccccc1)N1N=C(c2ccc(O)cc2)C[C@@H]1c1ccco1 4292024 XDUPSAJJDQPMQV-GOSISDBHSA-N 332.359 3.977 10 40 EHCB Cn1c(-c2ccccc2)cnc1SCC(=O)Nc1ccc(O)cc1 18339594 URUILZVAAWEIIZ-UHFFFAOYSA-N 339.420 3.524 10 40 EHCB COC[C@H](C)N1C(=O)/C(=C/c2cc3ccccc3o2)SC1=S 96935953 CBRIMRDVPSPDPY-WULZRQGASA-N 333.434 3.669 10 40 EHCB Cc1ccc(-c2ccc(S(C)(=O)=O)cc2)n1-c1ccc(F)cc1 22442 IODOBBFRLZLCJR-UHFFFAOYSA-N 329.396 3.995 10 40 EHCB COc1ccccc1N/C=C1\SC(=S)N(C2CCCC2)C1=O 5021785 QNBPKUOPKLRCLC-UVTDQMKNSA-N 334.466 3.751 10 40 EHCB Cc1nc(/C=C/C(=O)NCc2ccc(N3CCCCC3)cc2)cs1 58417434 CKAYEXSAGHSJOI-JXMROGBWSA-N 341.480 3.771 10 40 EHCB CCO[C@@H](C)c1nc(CC(=O)N[C@@H](CC)c2ccccc2O)cs1 96409668 COTVSFDBHFAZPN-WFASDCNBSA-N 348.468 3.756 10 40 EHCB CCN(CC)c1ccc(CN[C@@H](CC(=O)O)c2cccs2)cc1 3026208 FDSACWOJNYPFDU-INIZCTEOSA-N 332.469 3.900 10 40 EHCB CCNc1cc(NCC(C)C)c(N)c2c1C(=O)c1ccccc1C2=O 6664921 QNPACIUQRNMRNN-UHFFFAOYSA-N 337.423 3.544 10 40 EHCB CCOc1ccccc1NC1=NC(=O)/C(=C\c2cccnc2)S1 33341808 UUHIGWSHIXNYJH-XNTDXEJSSA-N 325.393 3.563 10 40 EHCB Cc1ccc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)o1 30725502 ZIRCSEDIYKOHBQ-RBCZPYDQSA-N 335.388 3.892 10 40 EHCB CC(C)N1C(=O)/C(=C\c2c[nH]nc2-c2ccccc2)SC1=S 13640239 DLPVSEABAWKYJX-MDWZMJQESA-N 329.450 3.686 10 40 EHCB COc1cc(Cl)cc(/C=C2\SC(=S)N(C(C)C)C2=O)c1O 36613149 RCSFOXKOZZSWIY-WZUFQYTHSA-N 343.857 3.664 10 40 EHCB CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C\Nc1ccc(O)cc1 16160765 IHYBZJFMYMNZIB-YBEGLDIGSA-N 327.771 3.764 10 40 EHCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(-c2cccc(F)c2)o1 33285985 RPRVTMMOEZIAQY-ATVHPVEESA-N 348.333 3.547 10 40 EHCB CN1C(=O)/C(=C\c2ccc(C(=O)Cc3ccco3)cc2)SC1=S 28296842 LUIPIPPSJKDGER-OQLLNIDSSA-N 343.429 3.536 10 40 EHCB COC(=O)c1cc(C)n(-c2ccc(Br)cc2F)c1C 223707676 DEHXELBFZQXSJF-UHFFFAOYSA-N 326.165 3.782 10 40 EHCB C[C@H]1CCCC[C@@H]1NC(=O)c1ccc2c(c1)C(=O)c1ccccc1C2=O 12417749 OIGBFUYSVIRKGB-DJJJIMSYSA-N 347.414 3.771 10 40 EHCB Cc1nc(C2(NCc3cc(Cl)cc(Cl)c3O)CCCC2)no1 78394211 SAHVXSSKFWEGBH-UHFFFAOYSA-N 342.226 3.950 10 40 EHCB CCN(CC)c1ccc(CNC(=O)COc2cccc(Cl)c2)cc1 223237396 MMOBSEDQNCGVEU-UHFFFAOYSA-N 346.858 3.881 10 40 EHCB CC(=O)c1cccc(N2C(=O)/C(=C/c3cccn3C)SC2=S)c1 6563215 VHKMKTCUNHGAGT-GDNBJRDFSA-N 342.445 3.634 10 40 EHCB CC(=O)c1cccc(N2C(=O)/C(=C/c3cccnc3)SC2=S)c1 4193742 RNDJTMUUGDDXEU-NVNXTCNLSA-N 340.429 3.690 10 40 EHCB O=C(Nc1ccc(CNCc2ccc3c(c2)CCO3)cc1)c1ccco1 58203400 KOMABFXKJRNELS-UHFFFAOYSA-N 348.402 3.757 10 40 EHCB Oc1ccccc1C1=N[C@H](c2ccccn2)N[C@@H](c2ccccc2O)C1 80324879 OFWAEIMXKGFGCG-DYESRHJHSA-N 345.402 3.715 10 40 EHCB Cc1ccc(NC(=O)Cc2nc(-c3ccc(O)c(O)c3)cs2)cc1 12805382 HUROYQBYHMRMGN-UHFFFAOYSA-N 340.404 3.711 10 40 EHCB COc1ccc(/C=C2/SC(NC3CCCCC3)=NC2=O)cc1OC 3377552 OLTYEBPTLXRWOB-LFIBNONCSA-N 346.452 3.596 10 40 EHCB CC[C@H](C)[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccccc2C)SC1=S 5373419 UCYRXXMLAQELET-WXHLEUTKSA-N 349.477 3.696 10 40 EHCB CC(C)(C)OC(=O)N1CCC[C@@H]([C@@](O)(CN=[N+]=[N-])c2ccccc2)C1 72208095 QBPPHENVTFRNSY-CRAIPNDOSA-N 346.431 3.832 10 40 EHCB CC1=NN(c2ccc(C)cc2)C(=O)/C1=C/Nc1ccccc1[N+](=O)[O-] 100041051 SKRVHHBRXLVTIY-RVDMUPIBSA-N 336.351 3.622 10 40 EHCB CN(C)Cc1cc2c(cc1O)CC[C@H]1[C@@H]2CC[C@@]2(C)C(=O)CC[C@@H]12 8615412 YNMRNQIMMPMNCA-ROWPZFDLSA-N 327.468 3.879 10 40 EHCB Nc1nn2c(=O)cc(-c3ccccc3)[nH]c2c1/N=N/c1ccccc1 103674464 TZDDCTOECRUVJJ-QURGRASLSA-N 330.351 3.687 10 40 EHCB Cc1nnc([C@H](C)OC(=O)c2cc(C)n(-c3ccccc3)c2C)o1 48302063 NOFJXHVNEOEWOU-ZDUSSCGKSA-N 325.368 3.704 10 40 EHCB CCCCCCN/C=C1/C(=O)N(c2ccc(C)c(C)c2)C(=O)N=C1O 103101040 ORJZHSXXUNXIPN-FOWTUZBSSA-N 343.427 3.780 10 40 EHCB CCN(CC)c1ccc(CNC(=O)COc2ccc(Cl)cc2)cc1 78521072 LVNXNQKKHIBDJG-UHFFFAOYSA-N 346.858 3.881 10 40 EHCB CCN(CCNC(=O)c1ccc(C)cc1C)c1ccc(OC)cc1 225058097 ZDKPPXOPKLLWCA-UHFFFAOYSA-N 326.440 3.568 10 40 EHCB CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)NCC(C)C 100422713 OPDYDZGSISAFPN-PTNGSMBKSA-N 328.441 3.538 10 40 EHCB CC1=NN(c2ccccc2)C(=O)/C1=C(/C)NCCc1cccs1 103916935 HWMYCLVCDMNRNF-LGMDPLHJSA-N 325.437 3.577 10 40 EHCB Cc1onc(-c2ccccc2)c1C(=O)NCc1ccc(N(C)C)cc1 12542432 QAJIKEXAWWXKRU-UHFFFAOYSA-N 335.407 3.646 10 40 EHCB Cc1cc(C(=O)CSc2cccc[n+]2[O-])c(C)n1-c1ccccc1 3337072 NZCDKYVOTDASIH-UHFFFAOYSA-N 338.432 3.703 10 40 EHCB CC1CCN(Cc2c(O)ccc3oc(-c4ccco4)cc(=O)c23)CC1 4387304 LOKGYUVYCKCQFL-UHFFFAOYSA-N 339.391 3.991 10 40 EHCB CC1=NN(c2cccc(F)c2)C(=O)/C1=C/c1ccc([N+](=O)[O-])cc1 100503940 OMSXDRLTSMXTAS-CXUHLZMHSA-N 325.299 3.540 10 40 EHCB CCc1ccc(NCc2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1 216737331 YETLBJIHJDLINA-UHFFFAOYSA-N 341.411 3.606 10 40 EHCB O=C(O)c1cccc(Nc2nc(-c3ccc(O)c(O)c3)cs2)c1 784484 IMXKYYXWPHFFKB-UHFFFAOYSA-N 328.349 3.663 10 40 EHCB Cc1cc(-c2csc(CC(N)=O)n2)c(C)n1-c1cccc(Cl)c1 8042272 RYWYPBWUFZPVSP-UHFFFAOYSA-N 345.855 3.899 10 40 EHCB CN(Cc1ccccc1O)C(=O)c1cc(-c2cccc(Cl)c2)on1 53916156 XKLWQRPAHQNRKW-UHFFFAOYSA-N 342.782 3.973 10 40 EHCB CC1(C)[C@@]2(C(=O)Oc3cccc4ccccc34)CC[C@@]1(C)C(=O)C2=O 100260071 TUXHJAYAJVLVRS-SFTDATJTSA-N 336.387 3.710 10 40 EHCB Cn1c(-c2ccccc2)cnc1SCc1nc2ccccc2c(=O)[nH]1 8582728 OYJMHBWMRQYJDV-UHFFFAOYSA-N 348.431 3.616 10 40 EHCB O=C1/C(=C\c2nc3ccccc3[nH]2)SC(=S)N1Cc1ccco1 27230397 WDVYNSRDNRGPOF-MDWZMJQESA-N 341.417 3.557 10 40 EHCB Cc1oc2ccc(O)c(CN3CCCC3)c2c1C(=O)NC1CCCC1 5182483 RCNRZMSOQTYBRP-UHFFFAOYSA-N 342.439 3.715 10 40 EHCB CC(=O)Nc1ccc(S(=O)(=O)/N=N\c2ccc(Cl)cc2)cc1 104056754 ILGSSZFBLRNCKM-ZCXUNETKSA-N 337.788 3.771 10 40 EHCB COC(=O)C1=C(C)N(c2cccc(OC)c2)C(=O)/C1=C\c1ccccc1 59566373 RWGPPMXCTZDMSD-PDGQHHTCSA-N 349.386 3.572 10 40 EHCB Cc1cc(C)c(NC(=O)CN(C)c2ccc3c(c2)OCO3)c(Cl)c1 89568889 UFOVDNOSFWQDDM-UHFFFAOYSA-N 346.814 3.760 10 40 EHCB c1ccc2c(c1)SCC[C@@H]2NCc1ccc(N2CCOCC2)cc1 8428759 WGWDSQHHEKDGQQ-IBGZPJMESA-N 340.492 3.850 10 40 EHCB CCN(CC)c1ccc(C=C2C(=O)OC3(CCCCC3)OC2=O)cc1 241976 SDRGXGJEFVLPAM-UHFFFAOYSA-N 343.423 3.677 10 40 EHCB COC(=O)C1=C(C)N(C2CCCC2)C(=O)/C1=C\c1ccccc1Cl 563183 GZVFMTLNQPNRRI-PTNGSMBKSA-N 345.826 3.955 10 40 EHCB CC1=NN(c2ccccc2C)C(=O)/C1=C/Nc1ccc([N+](=O)[O-])cc1 6223417 VSJLBCJZKYLWNW-LFIBNONCSA-N 336.351 3.622 10 40 EHCB CC1=NN(c2ccccc2)C(=O)/C1=C/Nc1ccc(C)cc1[N+](=O)[O-] 100044350 VVSTXMNVZVDBHH-RVDMUPIBSA-N 336.351 3.622 10 40 EHCB CCCCCCOc1ccc(/C=C2/SC(NC(C)=O)=NC2=O)cc1 408539199 FPDZNASHEQVTFH-FOWTUZBSSA-N 346.452 3.752 10 40 EHCB Cc1ccc(N2NC(=O)/C(=C/c3c(C)[nH]c4ccccc34)C2=O)cc1C 1505840600 XNTUCAUTXSLZCO-WQRHYEAKSA-N 345.402 3.555 10 40 EHCB O=C1/C(=C\c2cccc(O)c2)SC(=S)N1c1ccccc1O 96022760 DMDKIUWFTZJWTG-NTEUORMPSA-N 329.402 3.504 10 40 EHCB CCC(CC)NC(=O)COC(=O)c1ccc(-n2c(C)ccc2C)cc1 3378761 YZGIGGHITAGWFD-UHFFFAOYSA-N 342.439 3.556 10 40 EHCB CCn1cc(/C=C2\C(=O)N(C(C)(C)C)C(=O)N=C2O)c2ccccc21 33332539 PGQGQQDERZHKLX-UVTDQMKNSA-N 339.395 3.762 10 40 EHCB CCN(CC)c1ccc(/C=C2/SC(N3CCCC3)=NC2=O)cc1 533792 GJNLKGYKJRCXFP-DTQAZKPQSA-N 329.469 3.599 10 40 EHCB CCN(CC)c1ccc(CNCCNc2ccc([N+](=O)[O-])cc2)cc1 6869684 ARKGHYXYYFXTJL-UHFFFAOYSA-N 342.443 3.643 10 40 EHCB COc1ccccc1/C=C1\SC(=S)N(c2cccc(O)c2)C1=O 13712086 UFSGGEMQCBSCFK-DHDCSXOGSA-N 343.429 3.807 10 40 EHCB Cc1ccc(S(=O)(=O)Nc2nc(-c3cccc(N)c3)cs2)cc1 20336483 PUYGUIOZMGDJNE-UHFFFAOYSA-N 345.449 3.502 10 40 EHCB CC(C)C1=NN2C(=N)/C(=C/c3ccc(Cl)cc3)C(=O)N=C2S1 54315 FFERDZJYHNFIJK-XZPRFMIFSA-N 332.816 3.615 10 40 EHCB COC(=O)[C@H](c1ccc(N)cc1)c1ccc(Oc2ccc(N)cc2)cc1 96675757 IFHKTDMRNGMZDT-HXUWFJFHSA-N 348.402 3.948 10 40 EHCB COC(=O)C1=C(C)N([C@@H](C)c2ccccc2)C(=O)/C1=C\c1ccco1 92679 QYHKIFGEJVZNBA-IGWPVBGESA-N 337.375 3.713 10 40 EHCB Cc1ccc(N2C(=O)/C(=C\c3ccco3)SC2=S)cc1C(=O)O 5373827 PAAHYJFCDGRDIQ-MDWZMJQESA-N 345.401 3.692 10 40 EHCB CCCC1=NN2C(=N)/C(=C/c3ccc(Cl)cc3)C(=O)N=C2S1 509494 SARWQLBETMARMM-ZWGDPFMXSA-N 332.816 3.759 10 40 EHCB CCCC(=O)N1N=C(c2ccccc2)C[C@H]1c1cccc(OC)c1O 8774980 BCQYNGDAXVRWQZ-KRWDZBQOSA-N 338.407 3.879 10 40 EHCB CCOc1ccc(O)c(CN2CCC(O)(c3ccc(C)cc3)CC2)c1 12344533 JGYUZLJBBOGNPW-UHFFFAOYSA-N 341.451 3.583 10 40 EHCB CCN1C(=O)/C(=C\c2cc(Cl)c(OC)c(OC)c2)SC1=S 16405034 ZEHFSPBPHDTUCV-YRNVUSSQSA-N 343.857 3.578 10 40 EHCB CC(C)N(C(=O)c1ccc(NCc2cc(O)ccc2O)cc1)C(C)C 1651549 PDFWKEASESLRHH-UHFFFAOYSA-N 342.439 3.969 10 40 EHCB CC(=O)c1ccc(N/C=C2/C(=O)N(c3ccc(C)cc3)N=C2C)cc1 6556833 YBFKGTIQKYKDFQ-XDHOZWIPSA-N 333.391 3.916 10 40 EHCB COc1cccc(CNC(=O)Nc2ccc(OC(C)C)cc2C)c1O 70039508 DBJZPJSZCVZIAI-UHFFFAOYSA-N 344.411 3.818 10 40 EHCB Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2C)n1-c1ccccc1 222764189 YJXIOZCIFPMTGR-OALUTQOASA-N 348.475 3.783 10 40 EHCB COc1ccc(N(C)CCNC(=O)c2ccc(C)cc2Cl)cc1 225005423 AQCWKYBSWVNLBN-UHFFFAOYSA-N 332.831 3.523 10 40 EHCB COc1cc(C)c(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1OC 15013930 XAAPVYGDKWUFPW-GZTJUZNOSA-N 336.391 3.818 10 40 EHCB O=C1/C(=C/C=C/c2ccco2)SC(=S)N1c1ccc(O)cc1 4387521 YIPZYGCMVAMSCZ-NQDFZQDQSA-N 329.402 3.947 10 40 EHCB CN(C)c1ccc(CNC(=O)c2sccc2-n2cccc2)cc1 32899532 OZGPWSDFJLPLLG-UHFFFAOYSA-N 325.437 3.535 10 40 EHCB C[C@@H](NCc1ccc2c(c1)CCO2)c1cccc(N2CCCC2=O)c1 65538057 NUZLAJJDLPENCZ-OAHLLOKOSA-N 336.435 3.599 10 40 EHCB Cc1cccc(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c1C 71797623 BOOWOCRSAFFPMY-SFHVURJKSA-N 339.435 3.830 10 40 EHCB CC1=NN(c2cccc(C)c2)C(=O)/C1=C\Nc1ccc2nc(C)[nH]c2c1 408530061 INISZQCJEYVEQH-BOPFTXTBSA-N 345.406 3.898 10 40 EHCB COc1ccc(NC(=S)NCCN(C)c2ccccc2)cc1Cl 225570724 ZWDDFOKFKUIQGI-UHFFFAOYSA-N 349.887 3.771 10 40 EHCB COc1ccc(/C=C2/SC(=S)N(Cc3ccco3)C2=O)cc1 1214225 CTKOVQLPNZDIAI-NTEUORMPSA-N 331.418 3.690 10 40 EHCB O=C1/C(=C\c2cccc(F)c2)SC(=S)N1c1ccc(O)cc1 1249443 UNKBFMHVSLQSGT-NTEUORMPSA-N 331.393 3.937 10 40 EHCB O=C(NCCCSc1nccs1)c1ccc(-c2cnco2)cc1 69772691 FPZGOKDHLMCCAD-UHFFFAOYSA-N 345.449 3.710 10 40 EHCB CC(C)c1c(O)c(O)c2c(c1O)C(=O)C(=O)[C@H]1C(C)(C)CCC[C@]21C 3847022 BOJAIXICOJBWOB-AZUAARDMSA-N 346.423 3.776 10 40 EHCB biogenic Oc1cc2c(cc1[C@@H](c1ccc(F)cc1)N1CCCCC1)OCO2 1586977 YMCLEFJCNNJAEA-LJQANCHMSA-N 329.371 3.835 10 40 EHCB CC1=NN(c2nc3ccccc3[nH]2)C(=O)/C1=C\Nc1ccc(C)cc1 101141872 WOLWCVOBKGXYCJ-PTNGSMBKSA-N 331.379 3.590 10 40 EHCB COc1ccc(N(C)CCNC(=S)Nc2cccc(Cl)c2)cc1 225797438 KDMHXQXLDQQRAB-UHFFFAOYSA-N 349.887 3.771 10 40 EHCB COc1ccc([C@@H]2CC(c3cc(Cl)ccc3O)=NN2)c(OC)c1 523907 ZQCWGLGRQFUTCM-AWEZNQCLSA-N 332.787 3.502 10 40 EHCB biogenic O=C1/C(=C/c2cccc(O)c2)SC(=S)N1c1ccccc1O 3167345 DMDKIUWFTZJWTG-ZROIWOOFSA-N 329.402 3.504 10 40 EHCB Cc1c2ccccc2c(/C=C2/C(=O)NC(=O)N=C2O)c2ccccc12 39557478 IFNGJUICZTXUJN-UHFFFAOYSA-N 330.343 3.891 10 40 EHCB CCN1C(=O)S/C(=C\c2ccc(-c3cccc(C(=O)O)c3)o2)C1=O 409091520 UXQFHMHFQFGJSX-ZROIWOOFSA-N 343.360 3.701 10 40 EHCB Cc1cc(NCc2ccc(N(C)C)c(F)c2)nc(-c2ccncc2)n1 57829425 NFKLQZWSTOCGNV-UHFFFAOYSA-N 337.402 3.664 10 40 EHCB COC[C@H](C)NC(=O)/C=C/c1cc(C)n(-c2ccc(C)cc2)c1C 12545344 WUNUSYZRZGZPNT-SHQCLWGWSA-N 326.440 3.567 10 40 EHCB CCCCC1(C)OC(=O)C(=Cc2ccc(N3CCCC3)cc2)C(=O)O1 3767734 OVLBKXPZCPOGGO-UHFFFAOYSA-N 343.423 3.677 10 40 EHCB O=C1[C@H](/N=N\c2ccc([N+](=O)[O-])cc2)Sc2nc3ccccc3n21 103877792 SXVZQUTWJZBFBE-XAGMJWQQSA-N 339.336 3.800 10 40 EHCB CCCCN1C(=O)/C(=C/c2ccc(OC)c(OC)c2)SC1=S 2155839 TYSDPNSLIMQIPH-UVTDQMKNSA-N 337.466 3.705 10 40 EHCB O=C(NCCCSc1nccs1)N1CCC[C@@H]1c1ccncc1 95413622 XBBSPZDCGFUDOW-CQSZACIVSA-N 348.497 3.567 10 40 EHCB COc1cc(OC)c2c(C)c(C3=CC=CCC3=S)c(=O)oc2c1 71404985 RDDKJVFXACETRP-UHFFFAOYSA-N 328.389 3.832 10 40 EHCB CCN1C(=O)/C(=C\c2ccc(Cl)c(Cl)c2)C(C(=O)OC)=C1C 59435692 MHQQRMMFJCNNJJ-XFFZJAGNSA-N 340.206 3.686 10 40 EHCB Cc1ccc(CN[C@@H](C)c2ccc(N3CCC(O)CC3)cc2)s1 95420456 XOEGIUDEONAZKQ-HNNXBMFYSA-N 330.497 3.868 10 40 EHCB Cc1ccc(C(C)C)c(O)c1CN1CCC[C@@H](C(=O)NCC2CC2)C1 95996995 VZMNAYBXVJVILN-QGZVFWFLSA-N 344.499 3.562 10 40 EHCB CC(=O)Nc1ccc(N2N=C(C)[C@H](/N=N/c3ccc(C)cc3)C2=O)cc1 97962867 FYNBPFXXPNOENP-VEGAHXMMSA-N 349.394 3.828 10 40 EHCB COc1cccc(CN[C@@H](c2ccc3c(c2)OCCO3)C(C)C)c1O 71792499 KUKRKDKGBRUDRI-LJQANCHMSA-N 343.423 3.659 10 40 EHCB CCN(CC)c1ccc(CNC(=O)[C@H](C)Oc2ccc(F)cc2)cc1 223074692 UBOBKNLQTIGGPS-HNNXBMFYSA-N 344.430 3.756 10 40 EHCB Cc1nc2n(n1)[C@@H](c1ccc(N(C)C)cc1)C1=C(O)C[C@@H](C)CC1=N2 102602560 ZGJXMEYFMYYBHM-VOJFVSQTSA-N 337.427 3.570 10 40 EHCB COc1ccc(/N=N\c2c(=N)[nH]n3cc4c(nc23)CCCCC4)cc1 104229607 MCVCFMZTEUQQSG-DQRAZIAOSA-N 336.399 3.835 10 40 EHCB COC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1ccc(OC)cc1 408998633 RPZBUTJLZZAFJB-AQTBWJFISA-N 349.386 3.572 10 40 EHCB CCOC(=O)c1ccc(/N=N/c2cc(C)c(O)c(C(=O)O)c2)cc1 70462716 WUBAZYOXUKYUCD-VHEBQXMUSA-N 328.324 3.991 10 40 EHCB Cc1ccc(/C=C2/C(=O)N(c3ccc(F)cc3)C(=S)N=C2O)s1 1250704 KXFOCXRVKPGLHA-MDWZMJQESA-N 346.408 3.867 10 40 EHCB in-vitro CC1(C)[C@@]2(C)CC[C@]1(C(=O)Oc1cccc3ccccc13)C(=O)C2=O 8236793 TUXHJAYAJVLVRS-LEWJYISDSA-N 336.387 3.710 10 40 EHCB CCN1C(=O)C2(CCCCC2)N[C@H]1c1ccc(N2CCCCC2)cc1 75572697 SUZWSYYJJQQCJU-LJQANCHMSA-N 341.499 3.830 10 40 EHCB CCCCCOC(=O)CN1C(=O)/C(=C/c2ccccc2)SC1=S 7261400 OITYUNNOCLLKLO-KAMYIIQDSA-N 349.477 3.621 10 40 EHCB O=C1c2ccccc2C(=O)C1(NCc1ccccc1)c1ccccc1 19873833 RBWBXDYSCHQCKQ-UHFFFAOYSA-N 327.383 3.751 10 40 EHCB CC1=NN(c2ccccc2)C(=O)/C1=C/Nc1ccc([N+](=O)[O-])cc1C 20075107 AAWNJMOFBFFRMF-LFIBNONCSA-N 336.351 3.622 10 40 EHCB Cc1cc(/C=C/c2cccc[n+]2C)c(C)n1-c1ccc2c(c1)OCO2 4932992 VEUJFPJRAMCCEC-UHFFFAOYSA-N 333.411 3.818 10 40 EHCB Cc1nc(-c2c(C(F)(F)F)oc3c(O)c(O)ccc3c2=O)cs1 6557131 QUXBWMAFQJLTLF-UHFFFAOYSA-N 343.282 3.655 10 40 EHCB CN(C)c1ccc([C@@H]2OCCCN2C(=S)Nc2ccccc2)cc1 1249838 IYURRXGEVNWQFG-SFHVURJKSA-N 341.480 3.871 10 40 EHCB O=C(CSc1nccs1)Nc1cccc(OC(F)(F)F)c1 32932290 UNPXWSMAMHEMEB-UHFFFAOYSA-N 334.344 3.773 10 40 EHCB COc1ccc(/C=C2\SC(Nc3ccccc3)=NC2=O)c(OC)c1 552637 VLTFLEBAIZPAMB-YBEGLDIGSA-N 340.404 3.786 10 40 EHCB C[C@@H](O[C@@H]1CC(=O)C[C@H]2C(=O)c3ccccc3C(=O)[C@H]12)c1ccccc1 4568269 QPZYNQGSSNBJQS-AQWZQNETSA-N 348.398 3.807 10 40 EHCB Cc1ccc(NC(=O)c2cn(Cc3ccc(N)cc3)cn2)cc1Cl 71775336 ZJYKQKKFVSMKMI-UHFFFAOYSA-N 340.814 3.728 10 40 EHCB O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)NCc1ccc(N2CCSCC2)cc1 106528428 HRMBLPOOVLZEIM-BZSNNMDCSA-N 344.524 3.682 10 40 EHCB COc1ccccc1/C=C1/C(=O)N(c2ccc(C(C)=O)cc2)N=C1C 4839109 CLRDNCGQQNXQQJ-LDADJPATSA-N 334.375 3.704 10 40 EHCB C[C@H]1CCCN(c2ccc(CNC(=O)Cc3cccs3)cc2)C1 98086209 VAXDWMNCMKHOFJ-HNNXBMFYSA-N 328.481 3.843 10 40 EHCB Cc1c(NS(=O)(=O)c2ccccc2)cc(Cl)c(O)c1Cl 84073 CTEGHEYASQRVMN-UHFFFAOYSA-N 332.208 3.808 10 40 EHCB O=C1/C(=C\c2ccc([N+](=O)[O-])o2)SC(=S)N1C1CCCCC1 113830402 MGVKLPIVKRDOGS-DHZHZOJOSA-N 338.410 3.722 10 40 EHCB COc1ccc(NCc2cc(Br)ccc2O)cc1OC 40477091 XETDVZRSZFQAFH-UHFFFAOYSA-N 338.201 3.784 10 40 EHCB CCN(CC)c1ccc(CNC(=O)Cc2ccc(OC)c(C)c2)cc1 225294250 NVEBZCQFBHOTDL-UHFFFAOYSA-N 340.467 3.709 10 40 EHCB Cc1cc(C(=O)CSc2nncs2)c(C)n1-c1ccccc1 3413012 QTXDBNDYSAPXLS-UHFFFAOYSA-N 329.450 3.921 10 40 EHCB CC(C)N1CCc2c(sc3c2C(O)=N[C@@H](c2ccccc2O)N3)C1 4553991 LMOBRUJBCKABEJ-MRXNPFEDSA-N 343.452 3.649 10 40 EHCB CN(CCCNC(=S)Nc1c(F)cccc1F)c1ccccc1 225748139 JSGAAFLFZQQMMV-UHFFFAOYSA-N 335.423 3.778 10 40 EHCB C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2ccc(N(C)C)cc2)S1 222560340 RNJNNFWPERLUPS-BVGQSLNGSA-N 338.480 3.737 10 40 EHCB O=C1N=C(N2CCCC2)S/C1=C\c1ccccc1Br 15015197 ILPWDCAMRRGDGM-XFXZXTDPSA-N 337.242 3.515 10 40 EHCB O=C1c2ccccc2-c2onc3ccc(NCCCn4ccnc4)c1c23 2417895 SIJFRVCYVJSYJY-UHFFFAOYSA-N 344.374 3.738 10 40 EHCB O=C(NC1=NN(c2ccccc2)C(=O)C1)Nc1cccc2ccccc12 6864327 KGLFHNVMXQRJNY-UHFFFAOYSA-N 344.374 3.712 10 40 EHCB COC[C@@H](C)NC(=O)/C=C/c1cc(C)n(-c2ccc(C)cc2)c1C 12545343 WUNUSYZRZGZPNT-KUCQQTCKSA-N 326.440 3.567 10 40 EHCB COc1ccc(/C=C2\SC(=S)N(C(C)(C)C)C2=O)cc1OC 5371395 KVZBHJYMYYCDDT-LCYFTJDESA-N 337.466 3.704 10 40 EHCB C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)OC(=O)/C(=C\O)C[C@H]12 104270688 LUCOQXWMBYAVDV-GSUZCSPSSA-N 334.456 3.737 10 40 EHCB Cc1sc2nc(-c3sc4ncccc4c3O)[nH]c(=O)c2c1C 6585764 DJVLECPJSWXAMJ-UHFFFAOYSA-N 329.406 3.584 10 40 EHCB C[C@H](c1ccco1)N(Cc1cc(=O)oc2cc(O)c(O)cc12)C1CC1 97135212 STJQZXVKBGKWHU-LLVKDONJSA-N 341.363 3.523 10 40 EHCB CSc1nc(C)cc(Nc2ccc(O)c(CN3CCCCC3)c2)n1 1696743 UBNVVYPMYAPCHT-UHFFFAOYSA-N 344.484 3.942 10 40 EHCB in-vitro COc1ccc(/C=C2/C(=O)N(c3ccc(C)cc3)N=C2C)c(OC)c1 15134017 QGUFTBKMIHMJHR-WOJGMQOQSA-N 336.391 3.818 10 40 EHCB O=C1c2ccccc2C(=O)c2c(OCC(F)(F)C(F)F)cccc21 4305853 GHQZRWFQDNYBRD-UHFFFAOYSA-N 338.256 3.741 10 40 EHCB Cc1ccc(/C=C2\SC(Nc3ccccc3C(=O)O)=NC2=O)cc1 5372491 WOVHSOGPYOEUIZ-GDNBJRDFSA-N 338.388 3.776 10 40 EHCB O=C1/C(=C\c2ccncc2)SC(=S)N1CCc1ccccc1 27229396 MORGTPJJVPIDDT-NTCAYCPXSA-N 326.446 3.526 10 40 EHCB CC1=NN(c2ccccc2C)C(=O)/C1=C/Nc1ccccc1[N+](=O)[O-] 100984886 SHAJLQUDPFZDQT-SDNWHVSQSA-N 336.351 3.622 10 40 EHCB CN(C)C(=O)c1ccc(/N=N\c2c(O)nc3ccccc3c2O)cc1 102878913 SPTQSDYRXKGNOC-MRCUWXFGSA-N 336.351 3.763 10 40 EHCB COc1cccc([C@@H]2Nc3ccccc3C(=O)N2CC(C)C)c1O 9747631 QFBVLQAQHJNQGD-GOSISDBHSA-N 326.396 3.623 10 40 EHCB Cc1ccccc1/C=C1/SC(=S)N(n2c(C)ccc2C)C1=O 409205230 GQRQBPHDNVQLKR-XNTDXEJSSA-N 328.462 3.951 10 40 EHCB CC(C)c1c(O)c(O)c2c(c1O)C(=O)C(=O)[C@@H]1C(C)(C)CCC[C@]21C 1576670 BOJAIXICOJBWOB-UYAOXDASSA-N 346.423 3.776 10 40 EHCB biogenic O=C1OC2(CCCCC2)OC(=O)C1=CNc1ccc2ccccc2c1 35592634 FPDLHFFAJAZYBY-UHFFFAOYSA-N 337.375 3.896 10 40 EHCB O=C1/C(=C\Nc2ccccc2)C(C(F)(F)F)=NN1c1ccccc1 100329297 VHNVXCQMNJXHGT-KAMYIIQDSA-N 331.297 3.948 10 40 EHCB O=C(O)/C=C\c1ccc(N=[N+]([O-])c2ccc(/C=C\C(=O)O)cc2)cc1 104344656 MYLSINGHPQBDKM-LEDOFVAJSA-N 338.319 3.808 10 40 EHCB O=C(c1ccccc1)c1ccccc1NS(=O)(=O)c1ccccc1 18257922 CKAIVQMEECSYSI-UHFFFAOYSA-N 337.400 3.718 10 40 EHCB Cc1cccc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)n1 113834937 HRSIFDJACQZHHF-XNTDXEJSSA-N 326.446 3.791 10 40 EHCB CN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1C[C@@H]1c1cccc(F)c1 67140907 VCMSEBFJEXFQAK-RTBURBONSA-N 326.415 3.654 10 40 EHCB Cc1ccccc1-n1c(C)cc(C(=O)CSc2nncn2C)c1C 48356166 MWULWFWRIFREIL-UHFFFAOYSA-N 340.452 3.506 10 40 EHCB Cc1ccc(Cl)cc1NC(=O)[C@@]12CC[C@](C)(C(=O)C1=O)C2(C)C 100868469 YRMORVHTSHLNBQ-QZTJIDSGSA-N 333.815 3.551 10 40 EHCB O=C1/C(=C\Nc2cccc(O)c2)SC(=S)N1Cc1ccccc1 100545922 HJMVYHPVKXKTEJ-XNTDXEJSSA-N 342.445 3.706 10 40 EHCB COc1cccc(/C=C2\SC(=S)N(c3ccc(O)cc3)C2=O)c1 16718806 LQAZGKJISJIIOU-GDNBJRDFSA-N 343.429 3.807 10 40 EHCB COC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1cccc(O)c1 408995171 AJTIJTIJWLOHMC-PDGQHHTCSA-N 349.386 3.578 10 40 EHCB CCOC(=O)c1ccc(N=[N+]([O-])c2ccc(C(=O)OCC)cc2)cc1 104250050 LOOVRYZFUGHEMF-UHFFFAOYSA-N 342.351 3.966 10 40 EHCB Cc1ccc(/C=C2\SC(=S)N(CN3CCC(C)CC3)C2=O)cc1 57218365 TUZOSEVYMKXYNR-WJDWOHSUSA-N 346.521 3.886 10 40 EHCB CC(=O)c1cc(Cl)cc(CN2CC[C@@H](Nc3ccccc3)C2)c1O 72312080 NNUMUVAFWHJDAB-QGZVFWFLSA-N 344.842 3.935 10 40 EHCB CCN(CC)c1ccc(CNC(=O)[C@H](C)c2c(C)noc2C)cc1F 66841630 KFENOLVWOGSEDN-GFCCVEGCSA-N 347.434 3.697 10 40 EHCB CC(=O)c1sc2[n+](c1C)C(=O)/C(=C\c1ccccc1Cl)S2 17222266 VOSPTOAMNUGYRV-KPKJPENVSA-N 336.845 3.987 10 40 EHCB CCCN(CCC)Cc1c(O)ccc2c3c(c(=O)oc12)CCCC3 2549615 CABURUJAESMVDK-UHFFFAOYSA-N 329.440 3.999 10 40 EHCB COC(=O)c1sc2nc3c(c(-c4ccco4)c2c1N)CCCC3 1315182 VYWMINAISHPMPB-UHFFFAOYSA-N 328.393 3.804 10 40 EHCB O=C1C/C(=C\c2ccc(O)c(O)c2)C(=O)N1c1ccc2ccccc2c1 13655061 MIXJINZVZHGBAF-CXUHLZMHSA-N 345.354 3.598 10 40 EHCB Cc1ccc(C(=O)O)cc1-c1ccc(/C=C2\SC(=O)N(C)C2=O)o1 4550407 ANNVKJNNWWUKJB-ZSOIEALJSA-N 343.360 3.619 10 40 EHCB Oc1c([C@H](c2ccc(F)cc2)N2CCOCC2)ccc2cccnc12 19902436 WUUASRHRNXRJTE-IBGZPJMESA-N 338.382 3.501 10 40 EHCB O=C1N=C(N2CCc3ccccc3C2)S/C1=C\c1ccc(F)cc1 36621538 ZTARAXXAOGIPIU-BOPFTXTBSA-N 338.407 3.854 10 40 EHCB CC(C)(C)OC(=O)N1CCC[C@H]1[C@](O)(CN=[N+]=[N-])c1ccccc1 72207996 ZFOYMOMZVZPVPX-YOEHRIQHSA-N 332.404 3.584 10 40 EHCB COc1ccc(/C=C2/SC(=S)N(C(C)(C)C)C2=O)cc1OC 18063979 KVZBHJYMYYCDDT-UKTHLTGXSA-N 337.466 3.704 10 40 EHCB CN(C)Cc1cc2c(cc1O)CC[C@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12 8615413 YNMRNQIMMPMNCA-STHPQGGCSA-N 327.468 3.879 10 40 EHCB COc1cccc(/C=C2/C(=O)N(c3ccccc3C)C(=O)N=C2O)c1 5981961 DZHCNNUEVAICPL-RVDMUPIBSA-N 336.347 3.510 10 40 EHCB NC(=O)c1cccc2c1N[C@H](c1cccc([N+](=O)[O-])c1)[C@H]1CC=C[C@H]21 4725826 ULMBGXXVZASLBH-GRDNDAEWSA-N 335.363 3.520 10 40 EHCB CC(C)(C)OC(=O)N1CCC[C@@H]1[C@](O)(CN=[N+]=[N-])c1ccccc1 72207995 ZFOYMOMZVZPVPX-PBHICJAKSA-N 332.404 3.584 10 40 EHCB CN1C(=O)/C(=C/c2ccc(SCc3ccco3)o2)SC1=S 5025797 NATXMVDQKKPMNU-XFFZJAGNSA-N 337.447 3.996 10 40 EHCB CCCOc1ccccc1/C=C1\SC(N2CCCCC2)=NC1=O 12437198 BNHDPYYOSDNRBF-SSZFMOIBSA-N 330.453 3.932 10 40 EHCB CCOC(=O)C(=Cc1cc(C)n(-c2ccccc2)c1C)C(=O)OCC 3177138 ZHDSHIRLSBEKJU-UHFFFAOYSA-N 341.407 3.604 10 40 EHCB Cc1c(NC(=O)N(C)Cc2ccccc2O)cccc1OC(F)F 69668772 UCROALCCWHQMDQ-UHFFFAOYSA-N 336.338 3.966 10 40 EHCB COc1ccc(/C=C2\C=C(c3ccc(OC)c(OC)c3)OC2=O)cc1 281668 RBPQOXJVDDHEDF-XNTDXEJSSA-N 338.359 3.694 10 40 EHCB CCN1C(=O)/C(=C\c2cc(C)n(CC(F)(F)F)c2C)SC1=S 5577330 SRIQAECPGTTXLZ-IZZDOVSWSA-N 348.415 3.888 10 40 EHCB C[C@@H](NCc1ccc2c(c1)CCO2)c1ccc(N2CCCC2=O)cc1 65475963 AVLOJUPRTPXYMW-OAHLLOKOSA-N 336.435 3.599 10 40 EHCB CCCCCC1=NN2C(=N)/C(=C/c3ccccc3)C(=O)N=C2S1 41083122 HPALXAUCZVUIFZ-DTIOJQSLSA-N 326.425 3.886 10 40 EHCB CCO[C@H](C)c1nc(CC(=O)N[C@@H](CC)c2ccccc2O)cs1 96409666 COTVSFDBHFAZPN-DOMZBBRYSA-N 348.468 3.756 10 40 EHCB Cc1ccc(NC2=NC(=O)/C(=C\c3ccc([N+](=O)[O-])cc3)S2)cc1 7164965 SSYAQKSMRQVBFV-XNTDXEJSSA-N 339.376 3.986 10 40 EHCB CCN1C(=O)/C(=C/c2ccccc2Br)SC1=S 1188597 IDIQAAJSBJFKLX-YFHOEESVSA-N 328.256 3.670 10 40 EHCB COc1ccccc1NC[C@H](O)COc1cc(Cl)ccc1Cl 12561503 CHJUSPVUTHZBGM-LBPRGKRZSA-N 342.222 3.854 10 40 EHCB CCCC1=NN2C(=N)/C(=C\c3c[nH]c4ccccc34)C(=O)N=C2S1 19949938 ZKXJBIZGCZVYLD-LRVNMVSOSA-N 337.408 3.587 10 40 EHCB Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NC[C@H]2CCCO2)c1 12824083 KORFJUYADYWTPN-OAHLLOKOSA-N 332.831 3.656 10 40 EHCB O=C1/C(=C\c2ccccc2)SC(=S)N1C(=O)c1ccccc1 1512756 UKLXNBQUAHAGQM-SDNWHVSQSA-N 325.414 3.728 10 40 EHCB CN(C)c1ccc(N2C(=O)/C(=C\c3ccco3)SC2=S)cc1 28942023 BDTMSNPIIBOMLN-GXDHUFHOSA-N 330.434 3.751 10 40 EHCB COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(Cl)c1O 105413628 ZNGDZIKABGNDMC-RIYZIHGNSA-N 342.782 3.860 10 40 EHCB COC(=O)c1ccccc1N/C(C)=C1\C(=O)N(c2ccccc2)N=C1C 112114417 MKPJYRLJGZTQSO-AQTBWJFISA-N 349.390 3.582 10 40 EHCB O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccccc1 69493865 RTAVPQACBRFXOE-UHFFFAOYSA-N 346.377 3.687 10 40 EHCB O=C(Cc1noc2ccccc12)NCc1ccc(N2CCCCC2)cc1 58281916 WYSYROSUJPDIBR-UHFFFAOYSA-N 349.434 3.677 10 40 EHCB CC(C)CN1C(=O)/C(=C\c2ccc3c(c2)C[C@H](C)O3)SC1=S 2325729 PCMLOJNDXYVHGI-UXYFDLPDSA-N 333.478 3.867 10 40 EHCB CC(=O)c1cccc(N2C(=O)/C(=C/c3ccncc3)SC2=S)c1 16789993 FZKYBHIHIXDQSV-DHDCSXOGSA-N 340.429 3.690 10 40 EHCB CC(=O)c1ccc(N2C(=O)/C(=C/c3cccnc3)SC2=S)cc1 4193741 BRVCOMAFCDJEEQ-DHDCSXOGSA-N 340.429 3.690 10 40 EHCB Cc1cc(C(=O)COC(=O)C2CCC2)c(C)n1-c1ccc(F)cc1 6639263 SMNLZQWORWPRQU-UHFFFAOYSA-N 329.371 3.759 10 40 EHCB COc1ccc(N(C)CCCNC(=O)c2cc(C)ccc2C)cc1 225054177 RSKLDNFJYAXLBF-UHFFFAOYSA-N 326.440 3.568 10 40 EHCB C[N+](C)([O-])CCCNc1c2ccccc2nc2cccc([N+](=O)[O-])c12 5493359 BPLWOBZXURAQJT-UHFFFAOYSA-N 340.383 3.672 10 40 EHCB O=C(NCc1cccs1)N(Cc1ccco1)Cc1ccccc1O 44979382 LFRZGTACIPKVQF-UHFFFAOYSA-N 342.420 3.959 10 40 EHCB COc1ccc(C2=NN(C(=O)C(C)C)[C@H](c3ccccc3O)C2)cc1 12779273 VMLNYTBSGBSJTM-SFHVURJKSA-N 338.407 3.735 10 40 EHCB CCc1ccc(-c2[nH]ncc2C(=O)NCc2ccc(N(C)C)cc2)cc1 72329195 UVILTLXBGSQOGU-UHFFFAOYSA-N 348.450 3.635 10 40 EHCB COc1cccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c1O 13476504 BJJBRWPGAWMVOD-GXDHUFHOSA-N 343.429 3.807 10 40 EHCB COc1cc(/N=N\c2c(C)cc(C)cc2S(=O)(=O)O)c(C)cc1N 17302792 NGAXSFCVDMHWGU-HNENSFHCSA-N 349.412 3.865 10 40 EHCB Oc1cc2c(cc1CN1CCO[C@@H](c3ccc(F)cc3)C1)CCC2 40061141 PRFSEPXZGQLCTL-HXUWFJFHSA-N 327.399 3.594 10 40 EHCB C[C@@H]1CN(c2ccc(CNC(=O)C3CCCCC3)cc2F)C[C@@H](C)O1 48354855 IIUPPWSFSUEZKH-HUUCEWRRSA-N 348.462 3.636 10 40 EHCB O=C1/C(=C/c2cc(F)ccc2F)SC(=S)N1c1cccnc1 40139653 LIVSIJPLJOHYCN-QPEQYQDCSA-N 334.372 3.766 10 40 EHCB COc1ccc(/C=C2/SC(NC3CCCCC3)=NC2=O)cc1C 96793789 VMNAQYYPBWKOSV-LFIBNONCSA-N 330.453 3.896 10 40 EHCB CC(=O)[C@H](/N=N\c1ccc(C)cc1[N+](=O)[O-])C(=O)Nc1ccccc1 104171897 MFYSUUPKMDJYPF-JVMRMLDLSA-N 340.339 3.583 10 40 EHCB CCOc1ccccc1N1C(=O)/C(=C/c2ccccn2)SC1=S 5478101 KYWRNDIITFPKOP-PTNGSMBKSA-N 342.445 3.886 10 40 EHCB O=C1/C(=C\c2ccco2)N=C(c2ccc(F)cc2)N1c1ccc(O)cc1 408765050 WBZURLPSLGBJNO-LDADJPATSA-N 348.333 3.959 10 40 EHCB Cc1ccccc1N1C(=O)N=C(O)/C(=C/c2c[nH]c3ccccc23)C1=O 17145587 WBFHMURCQDFESS-GDNBJRDFSA-N 345.358 3.983 10 40 EHCB CC(C)n1ncc2cc(NC(=O)/C=C/c3ccc(N(C)C)cc3)cnc21 21901428 BWLXDFAHDFAYFF-JXMROGBWSA-N 349.438 3.730 10 40 EHCB CCCN(Cc1ccccc1O)C(=O)c1cncc(Br)c1 66096758 DEEQJZIJASYXLE-UHFFFAOYSA-N 349.228 3.602 10 40 EHCB O=C1N=C(Nc2ccc(C(=O)O)cc2)S/C1=C\C=C\c1ccco1 20227137 OHRWOFGVGXCVFA-NQDFZQDQSA-N 340.360 3.616 10 40 EHCB CCOc1ccc(/N=N\c2ccc(C=O)c(S(=O)(=O)O)c2)cc1 104354384 HSBSUZYRFYBUJT-MSUUIHNZSA-N 334.353 3.560 10 40 EHCB O=C1NC(=O)/C(=C\c2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)S1 3205848 FULWCUIFMVEEMF-WUXMJOGZSA-N 349.751 3.622 10 40 EHCB O=C(O)CCCCCN1C(=O)/C(=C/C2CCCCC2)SC1=S 13586621 KAKGWVUFKSBCSS-QBFSEMIESA-N 341.498 3.956 10 40 EHCB Cc1cc(CNCc2ccc(N3CCC(CO)CC3)cc2)ccc1F 78552344 VCTHPXCFHADXGH-UHFFFAOYSA-N 342.458 3.633 10 40 EHCB COc1cccc(NC2=NC(=O)/C(=C/C=C/c3ccco3)S2)c1 5374539 DGLIBJWEZHXCCH-RNEAAXAUSA-N 326.377 3.927 10 40 EHCB O=C1NN=C(c2ccccc2)/C1=C\Nc1cccc(C(F)(F)F)c1 13285702 DXKUHAOGVKMMMH-GXDHUFHOSA-N 331.297 3.535 10 40 EHCB COc1ccc(SCC(=O)N(C)Cc2ccc(N(C)C)cc2)cc1 15519752 YYSRYQSIDMDIFG-UHFFFAOYSA-N 344.480 3.512 10 40 EHCB CCOC(=O)c1cccc(/N=N/c2cc(C=O)c(O)c(OC)c2)c1 70462731 YRSOILGVXKMCCC-VHEBQXMUSA-N 328.324 3.805 10 40 EHCB COc1ccc(-c2coc3c(CNC(C)C)c(O)ccc3c2=O)cc1 13719159 UAYZNQYZJCKPSA-UHFFFAOYSA-N 339.391 3.672 10 40 EHCB O=C1NC(=O)/C(=C\c2ccc(-c3cc(C(=O)O)ccc3Cl)o2)S1 15009017 VAZUZWQSGGSYOE-WUXMJOGZSA-N 349.751 3.622 10 40 EHCB COc1ccc(N2CCN(C(=O)c3ccc(C(C)C)cc3)CC2)cc1 5094388 XCTYPZJTXHLCLB-UHFFFAOYSA-N 338.451 3.781 10 40 EHCB CCCN/C(C)=C1\C(=O)N(c2ccc(OC)cc2)N=C1c1ccccc1 112114220 YYFGZTPYEIESDA-CYVLTUHYSA-N 349.434 3.720 10 40 EHCB CC(C)(C)OC(=O)N1CCC([C@](O)(CN=[N+]=[N-])c2ccccc2)CC1 72208121 BITLDEGIFJDJOY-SFHVURJKSA-N 346.431 3.832 10 40 EHCB Cc1cc(/C=C2\NC(=O)NC2=O)c(C)n1-c1ccc(C(C)(C)C)cc1 13809693 DKMZFJUWHVLJGF-BOPFTXTBSA-N 337.423 3.572 10 40 EHCB O=C(OC1CCCCC1)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](C(=O)O)N2 4035566 ICOHVCVFOZOLOK-IIDMSEBBSA-N 341.407 3.715 10 40 EHCB c1ccc(-c2nc3ccccn3c2Nc2ccc3c(c2)OCCO3)nc1 4597435 WJUCHYUNFGSMFB-UHFFFAOYSA-N 344.374 3.911 10 40 EHCB Cc1cc(C(=O)N[C@@H]2CCc3ccccc32)c(C)n1-c1ccccn1 73744384 AWDRFHCSBNYIDJ-LJQANCHMSA-N 331.419 3.906 10 40 EHCB O=C1N=C(Nc2ccccc2C(=O)O)S/C1=C/C=C/c1ccco1 20226965 URDJGHSSFJSLAO-HNBAAQFOSA-N 340.360 3.616 10 40 EHCB Cc1cc(C(=O)N[C@H]2C[C@H]2c2ccccc2)c(C)n1-c1ccccn1 62299225 VFRXTVNUSCEFKP-OALUTQOASA-N 331.419 3.775 10 40 EHCB Cc1cc(C)c(OCC(=O)Nc2ccc(N)cc2)c(Br)c1 227158545 UCCXYLRVCRAMCN-UHFFFAOYSA-N 349.228 3.666 10 40 EHCB COC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1ccccc1 408977757 XJEGZONXTNIHDN-CYVLTUHYSA-N 347.414 3.602 10 40 EHCB Cc1cccc(C2=NN3C(=N)/C(=C\c4ccccc4)C(=O)N=C3S2)c1 3863127 ZMSLWEMNSPRMAH-UMWCEBECSA-N 346.415 3.662 10 40 EHCB COc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1OCC(C)C 98087018 ALCMBGFZGCBFQN-RIYZIHGNSA-N 337.466 3.561 10 40 EHCB Cc1ccccc1N1C(=O)/C(=C/c2ccc(F)cc2)C(O)=NC1=S 2289885 QBGWQRJEBIHCTI-GXDHUFHOSA-N 340.379 3.806 10 40 EHCB O=C1N=C(O)/C(=C\c2ccc(Cl)s2)C(=O)N1c1ccccc1 39369572 IWGVVLHIVJHQCE-DHZHZOJOSA-N 332.768 3.908 10 40 EHCB CCCN1C(=O)N/C(=C/c2cc(C)n(-c3ccccc3F)c2C)C1=O 409244836 JHPVPSADXZTDAJ-LFIBNONCSA-N 341.386 3.536 10 40 EHCB COCCn1c(C)cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)c1C 408964888 IHQXWXMDNYRSJH-UYRXBGFRSA-N 337.423 3.557 10 40 EHCB CCOc1ccc(/C=C2/SC(=S)N(CC)C2=O)c(OCC)c1 17070936 HLBLZJOUSXGXCI-NTEUORMPSA-N 337.466 3.705 10 40 EHCB C[C@H]1[C@H](c2ccccc2)O[C@H](c2ccc(N3CCOCC3)cc2)N1C 78547133 GPVLWMWZMUZIJB-ZLGUVYLKSA-N 338.451 3.614 10 40 EHCB CCC[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc(CC)cc2)SC1=S 5373507 ZSGSNPBNHGZWAK-JFBXQDQPSA-N 349.477 3.704 10 40 EHCB Cc1ccccc1NC1=NC(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)S1 7165837 RIXJADXLVHRPMI-XNTDXEJSSA-N 339.376 3.986 10 40 EHCB Cc1cccc(-n2c(C)cc(C(=O)N3CCOCC3(C)C)c2C)c1 48289620 VXJGTVHKXNGINY-UHFFFAOYSA-N 326.440 3.654 10 40 EHCB CSc1nnc(CN(Cc2ccccc2O)C2CCCC2)s1 69707592 MJLHUFOCTSJGSM-UHFFFAOYSA-N 335.498 3.910 10 40 EHCB CCOC(=O)[C@H]1CCCN(Cc2cc(C(C)(C)C)cc(C)c2O)C1 89983563 YDQQPPKREAZGQY-HNNXBMFYSA-N 333.472 3.773 10 40 EHCB O=C(O)c1ccc(/N=N/[C@H]2Sc3nc4ccccc4n3C2=O)cc1 103899435 JEFOVHPYTCSNLA-HVCBDAARSA-N 338.348 3.590 10 40 EHCB CCn1cc(/C=C2\SC(=S)N(CCOC)C2=O)c2ccccc21 409128742 KUPPPWYBPSPVLB-GDNBJRDFSA-N 346.477 3.509 10 40 EHCB COc1cc(/N=N/c2c(C)cc(C)cc2S(=O)(=O)O)c(C)cc1N 4523126 NGAXSFCVDMHWGU-VHEBQXMUSA-N 349.412 3.865 10 40 EHCB CCN1C(=O)[C@H](Cc2cc(C(C)C)c(OC)cc2C)SC1=S 6952502 TWMFJPXQVCZLKT-HNNXBMFYSA-N 337.510 3.918 10 40 EHCB Oc1ccc(Cl)cc1[C@@H]1[C@H](c2ccccn2)N=C2SCCN21 68561810 OXUBWSGWPLEFCF-LSDHHAIUSA-N 331.828 3.641 10 40 EHCB CC[C@H](C)c1ccc(NS(=O)(=O)c2cccc3nonc23)cc1 14255822 NWPITUXQTFMUCW-NSHDSACASA-N 331.397 3.537 10 40 EHCB O=C([C@H]1C[C@@H]1c1cccnc1)N(Cc1ccco1)Cc1ccccc1O 69975206 PPOPCODETVKEFA-MOPGFXCFSA-N 348.402 3.713 10 40 EHCB CCOc1ccc(N(C)Cc2cc(=O)oc3ccc(OC)cc23)cc1 4943069 JPIKUHSRNJGLEK-UHFFFAOYSA-N 339.391 3.837 10 40 EHCB Cc1ccc(Cl)cc1NC(=O)[C@]12CC[C@](C)(C(=O)C1=O)C2(C)C 2172645 YRMORVHTSHLNBQ-MSOLQXFVSA-N 333.815 3.551 10 40 EHCB CN(Cc1ccccc1O)C(=O)Nc1cc(F)cc(N2CCCC2)c1 65607328 UJILOUDSVFVGPC-UHFFFAOYSA-N 343.402 3.795 10 40 EHCB CCOC(=O)[C@H]1Cc2ccccc2CN1Cc1cc(Cl)ccc1O 199416308 BJEYSGNZXHMUFY-QGZVFWFLSA-N 345.826 3.536 10 40 EHCB COC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(C(=O)O)cc1)N2 6721379 GJGGLGFZQPLXPH-JTDSTZFVSA-N 349.386 3.998 10 40 EHCB COc1ccc(NC2=NC(=O)/C(=C/c3cccs3)S2)c(OC)c1 6570880 HZDNDEYADICYHQ-ZROIWOOFSA-N 346.433 3.848 10 40 EHCB C[C@H]1CN(CC(=O)Nc2ccc(/N=N/c3ccccc3)cc2)CCO1 25833444 DKJFELXDCNWZLG-SKAIHHOBSA-N 338.411 3.761 10 40 EHCB Cc1sc2ncnc(SCC(=O)c3ccc(O)c(O)c3)c2c1C 6113141 WGEQXUJREWXBDU-UHFFFAOYSA-N 346.433 3.694 10 40 EHCB COc1ccc(/C=C2\C(=O)N(c3ccc(C)cc3)C(=O)N=C2O)cc1 33285278 ULDOZMBOSYILHW-WJDWOHSUSA-N 336.347 3.510 10 40 EHCB CCOc1ccc(NC(=S)NCCN(C)c2ccccc2)cc1 16704916 UAVSLHYJQLTPKU-UHFFFAOYSA-N 329.469 3.508 10 40 EHCB Cc1cc(/C=C2\SC(=S)NC2=O)c(C)n1-c1cccc(F)c1 13942743 CCDBFVZQIVLYCS-AUWJEWJLSA-N 332.425 3.722 10 40 EHCB Cc1ccc(C)c(C(=O)CCC(=O)NCc2ccc(N(C)C)cc2)c1 15134673 NCKGKVQJAQMCKU-UHFFFAOYSA-N 338.451 3.649 10 40 EHCB COCCn1c(-c2ccc(O)c(O)c2)cs/c1=N\c1ccccc1 8469336 HDLOISSFUIXAFM-HNENSFHCSA-N 342.420 3.507 10 40 EHCB O=C1N=C(N2CCCC2)S/C1=C\c1ccc(Br)cc1 13943700 ASLABPXQUYOJLG-XFXZXTDPSA-N 337.242 3.515 10 40 EHCB O=C1N/C(=C\c2ccc(N3CCCC3)cc2)C(=O)N1C1CCCCC1 409091134 POELNRPMGGYSRS-JXAWBTAJSA-N 339.439 3.512 10 40 EHCB CN(C)c1ccc([C@H]2C=C(c3ccc(Cl)cc3)NC(=S)N2)cc1 5393748 WGNDUJCWTVCLIK-QGZVFWFLSA-N 343.883 3.966 10 40 EHCB CCCN/C(C)=C1\C(=O)N(c2ccccc2)N=C1c1ccc(OC)cc1 112114209 FTGMCQVCKDPUID-CYVLTUHYSA-N 349.434 3.720 10 40 EHCB CC[C@H](C)[C@H](C(=O)O)N1C(=O)/C(=C/c2cccc(C)c2)SC1=S 5373469 FARBAWLPXWCQJK-NGXJWPQESA-N 349.477 3.696 10 40 EHCB COC(=O)c1cccc2c1N[C@H](c1ccc(C(=O)O)cc1)[C@@H]1CC=C[C@@H]21 13389228 AWLTWPHKRLCZJX-IIDMSEBBSA-N 349.386 3.998 10 40 EHCB O=C1/C(=C\c2cccnc2)c2ccc(Cl)cc2N1CN1CCCC1 8991929 RTEGZJUAXUFYSV-YVLHZVERSA-N 339.826 3.676 10 40 EHCB O=C(O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1C(=O)O)N2 409161390 UMLUUYMLBCUCHC-FHSNZYRGSA-N 335.359 3.910 10 40 EHCB Cc1cc(=O)oc2c(CN3CC[C@H](c4ccccc4)C3)c(O)ccc12 85875666 YAOFZBMTCQLESX-INIZCTEOSA-N 335.403 3.797 10 40 EHCB biogenic Cc1ccc(C2(O)CCN(Cc3cc(C)cc(C)c3O)CC2)cc1 12344514 VLYUYOIMKJHEQK-UHFFFAOYSA-N 325.452 3.801 10 40 EHCB CC1=NN(c2ccccc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1C 5446604 JLOJSXAPTCXIKQ-MOSHPQCFSA-N 342.402 3.987 10 40 EHCB COc1ccc(/C=C2\C(=O)N(c3ccc(C)cc3)N=C2C)c(OC)c1 6646084 QGUFTBKMIHMJHR-WQRHYEAKSA-N 336.391 3.818 10 40 EHCB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(N)cc1 19736173 XUBJFRBUNJIINK-SECBINFHSA-N 325.195 3.982 10 40 EHCB CN(Cc1ccc(N2CCCCC2)cc1)Cc1nc(C2CC2)no1 51476345 GGYHONZPJMALBH-UHFFFAOYSA-N 326.444 3.569 10 40 EHCB CCCN1C(=O)N/C(=C/c2ccc(N3CCCC3)c3ccccc23)C1=O 409246259 HDNROAYCCLBURY-NBVRZTHBSA-N 349.434 3.743 10 40 EHCB O=C(NCc1ccc(N2CCSCC2)cc1)NC1CCCCCC1 84403126 SKGWKPLXNBDKOI-UHFFFAOYSA-N 347.528 3.762 10 40 EHCB O=C(CSc1ccc(F)cc1)NCc1ccc(N2CCCC2)cc1 28046936 ZMTQTZQJUUBCKL-UHFFFAOYSA-N 344.455 3.834 10 40 EHCB CC1=NN(c2ccccc2C)C(=O)/C1=C/Nc1cccc([N+](=O)[O-])c1 5730815 MTPJQUHPIFVHOI-LFIBNONCSA-N 336.351 3.622 10 40 EHCB CN1CCN(Cc2c(O)ccc3c2OC(C)(C)C2=C3CCCC2)CC1 19366410 NZWHFNYKXPCURC-UHFFFAOYSA-N 342.483 3.638 10 40 EHCB N=C1/C(=C/C=C/c2ccccc2)C(=O)N=C2SC(c3ccco3)=NN12 41076769 NPLAXBVHLUUIFX-QBXWTDJFSA-N 348.387 3.503 10 40 EHCB CC[C@@H](NC1CCN(CCc2ccncc2)CC1)c1ccccc1O 95940786 SCPOEKPLWIWJCU-HXUWFJFHSA-N 339.483 3.535 10 40 EHCB Oc1ccc(-c2nc3ccccc3nc2-c2ccc(O)cc2O)c(O)c1 1587794 ULWCCWZXYSGZSX-UHFFFAOYSA-N 346.342 3.786 10 40 EHCB [N-]=[N+]=NCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 141985390 HPNRIIDEHIPNSP-CYBMUJFWSA-N 329.747 3.921 10 40 EHCB COC(=O)c1sc2nc(N3CCCCC3)c3c(c2c1N)CCCC3 4844257 BDGQJSFESGZITR-UHFFFAOYSA-N 345.468 3.534 10 40 EHCB O=C1/C(=C/c2cccc(F)c2)SC(=S)N1c1cccc(O)c1 1243632 KZZHXFHDYFPXPA-ZSOIEALJSA-N 331.393 3.937 10 40 EHCB O=C1/C(=C/c2ccccc2O)N=C(c2ccccc2)N1c1ccccn1 5741002 VUMBVAIXRCDTKY-VKAVYKQESA-N 341.370 3.622 10 40 EHCB CC(=O)N1C(=O)/C(=C\c2ccc(Cl)cc2Cl)SC1=S 5291169 IIDFOLSTILZKTJ-ONNFQVAWSA-N 332.233 3.741 10 40 EHCB CCOc1ccc([C@@H]2CCCN2Cc2cc3c(cc2O)OCO3)cc1 8189649 HINPLPFTMJKWLY-KRWDZBQOSA-N 341.407 3.857 10 40 EHCB Cc1cc(C(=O)N[C@H]2C[C@@H]2c2ccccc2)c(C)n1-c1ccccn1 67811415 VFRXTVNUSCEFKP-MOPGFXCFSA-N 331.419 3.775 10 40 EHCB CC1(C)[C@@]2(C)CC[C@]1(C(=O)Oc1ccc3ccccc3c1)C(=O)C2=O 2172625 MYHLUVCRMZVOLI-LEWJYISDSA-N 336.387 3.710 10 40 EHCB CN(C)c1ccc(/C=C2/SC(Nc3ccccc3F)=NC2=O)cc1 6871476 ZQHUVQCYIVIJDO-LFIBNONCSA-N 341.411 3.974 10 40 EHCB COc1ccc(NC(=S)NCCCN(C)c2ccccc2)cc1 7558603 SJQPWIJUWRKSCU-UHFFFAOYSA-N 329.469 3.508 10 40 EHCB COc1ccc2c(c1)c(=O)oc1c(C)c(O[C@@H](C)C(C)=O)ccc12 487531 HAGNRTFEFLGJNM-LBPRGKRZSA-N 326.348 3.620 10 40 EHCB biogenic CCCCc1ccc(-n2c(C)cc(/C=C3\NC(=O)NC3=O)c2C)cc1 2076178 NQTHJHMWHZVXDL-PDGQHHTCSA-N 337.423 3.617 10 40 EHCB Cc1[nH]c2ccccc2c1/C=C1/NC(=O)N(Cc2ccc(F)cc2)C1=O 409009386 FAULKNJVOUEBRS-VCHYOVAHSA-N 349.365 3.708 10 40 EHCB C=CCN1C(=O)/C(=C/c2cccc(OC)c2OC(C)C)SC1=S 7156121 QXJRLGLHXMBQMW-UVTDQMKNSA-N 349.477 3.870 10 40 EHCB Cc1ccc(O)c(C2=NN[C@@H](c3cc(Br)ccc3O)C2)c1 950329 UHACMSRMHDDGBU-CQSZACIVSA-N 347.212 3.607 10 40 EHCB COc1ccc(/C=C2\SC(=S)N(C(C)(C)C)C2=O)c(OC)c1 5371349 CXNXGFGPRZYIBA-JYRVWZFOSA-N 337.466 3.704 10 40 EHCB CC[C@H](C)[C@H](C(=O)O)N1C(=O)/C(=C/c2ccccc2C)SC1=S 5373423 UCYRXXMLAQELET-NEQSRXPGSA-N 349.477 3.696 10 40 EHCB CCOc1ccc(C(=O)NCc2ccc(N(CC)CC)cc2)cc1 225018049 HVKYMEAXCTWGPA-UHFFFAOYSA-N 326.440 3.862 10 40 EHCB CC(=O)Nc1ccc(/C=C2/SC(NC3CCCCC3)=NC2=O)cc1 96669679 MFJNKAQZLOYWMF-LFIBNONCSA-N 343.452 3.538 10 40 EHCB CCOc1ccc(/C=C2\SC(N3CCCC[C@H]3C)=NC2=O)cc1 59484569 WWNLMMULTKPOKY-OPCAMPFDSA-N 330.453 3.930 10 40 EHCB CC(C)N1C(=O)/C(=C/c2c[nH]nc2-c2ccccc2)SC1=S 1819352 DLPVSEABAWKYJX-JYRVWZFOSA-N 329.450 3.686 10 40 EHCB CC(C)(C)n1ncc2c1CCC[C@@H]2NCc1ccc2c(c1)CCO2 75584106 OQKWPZGBOKKZKC-KRWDZBQOSA-N 325.456 3.740 10 40 EHCB CCC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(CC)cc2)SC1=S 5373506 ZSGSNPBNHGZWAK-ODUNQGDFSA-N 349.477 3.704 10 40 EHCB CCOc1cc(/C=C2/C(=O)N(c3cccc(C)c3)N=C2C)ccc1O 5718512 QSGWLXNWAMITIY-GZTJUZNOSA-N 336.391 3.905 10 40 EHCB CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)NC1CCCCC1 107063913 XZODLNDSPMNYSS-ATVHPVEESA-N 342.399 3.514 10 40 EHCB CCN(CC)c1ccc(/C=C2/SC(=O)N(CCCOC)C2=O)cc1 409231299 JSHSKRHBTZIXAL-DTQAZKPQSA-N 348.468 3.606 10 40 EHCB O=C1c2ccccc2N[C@@H](c2ccc(O)c(O)c2)N1Cc1ccccc1 7884125 CQHJPMKTUVHNFL-HXUWFJFHSA-N 346.386 3.865 10 40 EHCB CCCC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(/C)NC(C)(C)C 112110880 MIKJUBCJWCSOMX-LGMDPLHJSA-N 329.444 3.860 10 40 EHCB CCN(CC)c1ccc(CNC(=O)[C@@H](C)Oc2ccc(F)cc2)cc1 223074637 UBOBKNLQTIGGPS-OAHLLOKOSA-N 344.430 3.756 10 40 EHCB CC1=NN(c2ccccc2)C(=O)/C1=C\NCc1ccc(Cl)cc1 100149100 SOCJCGXMGQIORN-ATVHPVEESA-N 325.799 3.736 10 40 EHCB O=C(O)c1cccc(N2C(=O)/C(=C\c3ccccc3)SC2=S)c1 966964 ZXNFVGYFPHSNJJ-NTEUORMPSA-N 341.413 3.791 10 40 EHCB CC(=O)c1ccc(N2C(=O)/C(=C/c3cccn3C)SC2=S)cc1 6563190 BPGDYVFQFCXBBS-GDNBJRDFSA-N 342.445 3.634 10 40 EHCB CC[C@@H](C)c1ccccc1NS(=O)(=O)c1cccc2nonc12 14256351 YVYMOHLZVNNXKC-LLVKDONJSA-N 331.397 3.537 10 40 EHCB CN(C)c1ccc(CNC(=O)Nc2cccc(OC(F)F)c2)cc1 47907602 RIGUBFXKAHFUBA-UHFFFAOYSA-N 335.354 3.676 10 40 EHCB O=C1NC(=S)S/C1=C/c1ccc(OCc2cccc(F)c2)cc1 59266479 RJMMPKUMSXDECB-OQLLNIDSSA-N 345.420 3.894 10 40 EHCB CC1=NNC(=O)/C1=C\c1c(C)nn(-c2cccc3ccccc23)c1C 408997618 HKPXCTBLGNMYLR-WQRHYEAKSA-N 330.391 3.531 10 40 EHCB CCc1ccc(/C=C2\SC(=S)N([C@@H](C(=O)O)C(C)C)C2=O)cc1 5373512 YPFDRGHPJANDHI-RNQWEJQRSA-N 349.477 3.559 10 40 EHCB CC1=NN(c2ccc(C)cc2)C(=O)/C1=C/Nc1ccc(Cl)cn1 95481263 MIKKEJRZYOZEPX-XNTDXEJSSA-N 326.787 3.762 10 40 EHCB CCOC(=O)c1[nH]c2ccc(F)cc2c1/N=N/N1CCSCC1 13126340 HBMNUHXPDAGUEP-VHEBQXMUSA-N 336.392 3.531 10 40 EHCB CCN1C(=O)/C(=C\c2cccc(OC)c2OC(C)C)SC1=S 7717788 WOLDJIPSAIPJQJ-UKTHLTGXSA-N 337.466 3.704 10 40 EHCB COc1ccc(N2C(=O)/C(=C\c3cccc(O)c3)SC2=S)cc1 4477973 YDKYGSILBCQCIN-XNTDXEJSSA-N 343.429 3.807 10 40 EHCB CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C/Nc1cccc(O)c1 101148946 ARXTWNXHOJOBGA-MHWRWJLKSA-N 327.771 3.764 10 40 EHCB C=CCN1C(=O)S/C(=C\c2cc(F)c(N3CCCC3)cc2C)C1=O 33563263 KHFUETWOIIDBAP-WJDWOHSUSA-N 346.427 3.957 10 40 EHCB C[C@H](NCc1ccc2c(c1)CCO2)c1nc(-c2ccc(F)cc2)no1 78553436 PPCYSPSIIHEJEU-LBPRGKRZSA-N 339.370 3.661 10 40 EHCB Cc1cc(C)c2c(c1)/C(=C1/SC(c3ccccc3)=NC1=O)C(=O)N2 5534971 TZVBGGXBVVNJQK-PEZBUJJGSA-N 334.400 3.687 10 40 EHCB CCN(CC)CN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S 24716569 GBJFVPWFKIWWCH-LCYFTJDESA-N 340.901 3.841 10 40 EHCB Cc1cc(N[C@@H](c2cccnc2)c2ccc3cccnc3c2O)no1 38298 IUJMZOWHMWOMAX-KRWDZBQOSA-N 332.363 3.833 10 40 EHCB COc1ccc(NC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)cn1 15617381 VSRFSMZJIHWLQC-UHFFFAOYSA-N 339.370 3.889 10 40 EHCB COC(=O)C1=C(C)N(c2cccc(Cl)c2)C(=O)/C1=C\c1ccco1 59566370 DFLPXABOGYOPKB-GDNBJRDFSA-N 343.766 3.810 10 40 EHCB C[C@H]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(N(C)C)cc2)N3)C1 2492912 WJTMEJQKQJALTH-GTNSWQLSSA-N 341.480 3.793 10 40 EHCB O=C1/C(=C/Nc2cccc(O)c2)SC(=S)N1C1CCCCC1 100463928 GBVAXGJGMWJVRQ-UVTDQMKNSA-N 334.466 3.839 10 40 EHCB CSCCc1ccc(NC(=O)N(C)Cc2ccccc2O)cc1 69684347 ABSQRGFZABLPOW-UHFFFAOYSA-N 330.453 3.962 10 40 EHCB Cc1cccc(NC(=S)NCc2ccc(N3CCCCC3)cc2)n1 225419243 MHMFJEGMYMURGP-UHFFFAOYSA-N 340.496 3.867 10 40 EHCB CC(=O)Nc1ccc(N/C=C2/C(=O)N(c3ccccc3C)N=C2C)cc1 8572654 XBAZOZGERIPDDZ-LDADJPATSA-N 348.406 3.672 10 40 EHCB Cc1ccc(NC2=NC(=O)/C(=C\c3ccc(O)c(O)c3)S2)cc1C 35644362 YBOSQJMETQYNHB-CXUHLZMHSA-N 340.404 3.797 10 40 EHCB CC[C@H](C)[C@@H](C(=O)O)N1C(=O)/C(=C/c2cccc(C)c2)SC1=S 5373464 FARBAWLPXWCQJK-DPUHMWKMSA-N 349.477 3.696 10 40 EHCB C[C@H]1CCC[C@H](C)N1Cc1cc2c3c(c(=O)oc2cc1O)CCC3 6078278 RKUHDQVHEZHFQE-STQMWFEESA-N 327.424 3.750 10 40 EHCB CCOc1ccc(CNCc2cccc(OCC)c2O)cc1OCC 40477129 ZJTWGHGADUIMPQ-UHFFFAOYSA-N 345.439 3.878 10 40 EHCB Cc1ccc(N/C=C2\SC(=S)N(Cc3ccco3)C2=O)cc1 618255254 UGGUBAXFDBAXCG-ZROIWOOFSA-N 330.434 3.902 10 40 EHCB CC(C)CN1C(=O)/C(=C/c2cc(Cl)ccc2O)SC1=S 409032402 CZGRVGHUCGKARS-SDQBBNPISA-N 327.858 3.903 10 40 EHCB Cc1cc(Cl)ccc1NC(=O)[C@]12CC[C@@](C)(C(=O)C1=O)C2(C)C 100621999 WJMKTAYUTQTWMX-ROUUACIJSA-N 333.815 3.551 10 40 EHCB O=C(N[C@@H](c1ccccc1)c1c(O)ccc2ccccc12)[C@@H]1CCCO1 41978421 PWOLFCUBWWATNE-FPOVZHCZSA-N 347.414 3.930 10 40 EHCB Cc1cc(/C=C/c2cc[n+](C)cc2)c(C)n1-c1ccc2c(c1)OCO2 4932901 LWKDEPPXVRGDJU-UHFFFAOYSA-N 333.411 3.818 10 40 EHCB O=C1Nc2ccccc2/C1=C\c1ccc(N2CCCC2)c([N+](=O)[O-])c1 5692621 DNHGWVRVVAZXAB-RVDMUPIBSA-N 335.363 3.688 10 40 EHCB COc1cc(/C=C2\SC(=S)N(C3CCCC3)C2=O)ccc1O 4745829 JXYRZSFFEYUIKD-ZROIWOOFSA-N 335.450 3.545 10 40 EHCB Cc1cccc(/N=N/C(C(N)=O)=C2/NC(C)(C)Cc3ccccc32)c1 100702575 HKJVWUIGFHYUNC-QZOSNYCWSA-N 334.423 3.857 10 40 EHCB CCCCCN1C(=O)/C(=C\Nc2cccc(OC)c2)SC1=S 102581259 CREAQUVSEXWMSM-SDNWHVSQSA-N 336.482 3.999 10 40 EHCB CC[C@H](NC(=O)NCc1ccc(N(C)C)cc1C)c1c(C)noc1C 95441326 KCJOUQMOCUDRPJ-KRWDZBQOSA-N 344.459 3.616 10 40 EHCB CC(=O)c1ccc(N2C(=O)/C(=C/c3ccccn3)SC2=S)cc1 4193736 CRYIJJSMLSPNMT-GDNBJRDFSA-N 340.429 3.690 10 40 EHCB CCCCc1ccc(NC(=O)[C@]23CC[C@@](C)(C(=O)C2=O)C3(C)C)cc1 100629501 PPRDJLZONBKPBL-SFTDATJTSA-N 341.451 3.932 10 40 EHCB Cc1ccc(NC(=O)CSc2nccs2)c(Br)c1 47240998 DDMFFLTWZYBLEI-UHFFFAOYSA-N 343.271 3.945 10 40 EHCB CN1CCC/C1=C/C=C1\SC(=S)N(Cc2ccccc2)C1=O 4506929 QSSGVXLJPZQBRE-TYPNBTCFSA-N 330.478 3.540 10 40 EHCB Cc1ccc(S(=O)(=O)Nc2ccc(O)c3ccccc23)c(C)c1 189710 BUAHBIAKRIDOHI-UHFFFAOYSA-N 327.405 3.963 10 40 EHCB Cc1ccc(/C=C2\SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)o1 409345496 IYGICSSWTBGENZ-JYRVWZFOSA-N 346.389 3.902 10 40 EHCB C[C@H]1Oc2ccccc2C=C1/C=C1\SC(Nc2ccccn2)=NC1=O 54361096 JRGLBLRFMOHYNE-COOUDCDJSA-N 349.415 3.871 10 40 EHCB CN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1C[C@H]1c1cccc(F)c1 67140910 VCMSEBFJEXFQAK-OALUTQOASA-N 326.415 3.654 10 40 EHCB c1cc(OC[C@@H]2CO2)ccc1/N=N/c1ccc(OC[C@H]2CO2)cc1 5252551 ZXKWAVIXAFUNSC-DRUZGJPHSA-N 326.352 3.657 10 40 EHCB Cc1ccc(S(=O)(=O)/N=N/[C@@H](C)c2ccc(C(=O)O)cc2)cc1 16309072 AITQXQCRHZQDPG-HNAMICAMSA-N 332.381 3.595 10 40 EHCB CC(=O)Nc1ccc(NCc2cc(Br)ccc2O)cc1 44836184 CRQQDUMTZAMADN-UHFFFAOYSA-N 335.201 3.725 10 40 EHCB Cc1ccc(N(C)CCNC(=S)Nc2ccc(F)c(F)c2)cc1 225796008 DTSAFDFMIFVKDZ-UHFFFAOYSA-N 335.423 3.696 10 40 EHCB Cc1cc(C(=O)N[C@@H]2C[C@H]2c2ccccc2)c(C)n1-c1ccccn1 67811416 VFRXTVNUSCEFKP-RBUKOAKNSA-N 331.419 3.775 10 40 EHCB CCc1ccc(-n2c(C)cc(/C=C3\SC(=O)NC3=O)c2C)cc1 13810554 OVQJQHKWRIDXAG-YBEGLDIGSA-N 326.421 3.980 10 40 EHCB CC(C)CN1C(=O)/C(=C/c2ccc3c(c2)C[C@H](C)O3)SC1=S 2325733 PCMLOJNDXYVHGI-LWHXSLQUSA-N 333.478 3.867 10 40 EHCB Cc1ccccc1/C=C1/C(=O)N(c2ccccc2F)C(=S)N=C1O 59135775 WKBIPWIODOMWRM-JLHYYAGUSA-N 340.379 3.806 10 40 EHCB CC1=NN(c2ccc(Cl)c(C(=O)O)c2)C(=O)/C1=C\c1ccc(C)o1 96193270 OZJGSCORISNGRS-JYRVWZFOSA-N 344.754 3.746 10 40 EHCB Cc1ccc(N2NC(=O)/C(=C/c3ccc(Cl)cc3Cl)C2=O)cc1 8557335 KHTPXQMATLGAKM-ZSOIEALJSA-N 347.201 3.763 10 40 EHCB CCc1cc(=O)oc2cc(OCc3cc(C(=O)O)oc3C)ccc12 200929 AKGWAINBAUTECY-UHFFFAOYSA-N 328.320 3.534 10 40 EHCB biogenic CCn1cc(/C=C2/C(=O)N(c3ccccc3)N=C2c2ccccc2)cn1 6490265 DQINFMOIWCJIJG-CPNJWEJPSA-N 342.402 3.738 10 40 EHCB CCN1C(=O)S/C(=C/c2cc(C)n(-c3cc(C)ccn3)c2C)C1=O 409075454 YWWXUHSRBCKAOJ-XNTDXEJSSA-N 341.436 3.854 10 40 EHCB O=S(=O)(Cc1ccccc1)N(Cc1ccccc1O)C1CCCC1 95399834 AKHZMGUOJVAKBS-UHFFFAOYSA-N 345.464 3.667 10 40 EHCB Fc1ccc(NC(=S)NCCCN2CCc3ccccc32)cc1F 225560226 NLAAVCMWSOEHEJ-UHFFFAOYSA-N 347.434 3.704 10 40 EHCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc2c(cc1Cl)OCO2 106591129 PGCYGVVUSLGERP-VGOFMYFVSA-N 340.766 3.875 10 40 EHCB Cc1ccccc1NC(=O)Cc1nc(-c2ccc(O)c(O)c2)cs1 14186960 KBTVOWWLRHYTBE-UHFFFAOYSA-N 340.404 3.711 10 40 EHCB CC(C)SC1=NSC2=NC(=O)/C(=C\c3ccc(F)cc3)C(=N)N21 4916945 WYAORXMSKWZVSA-XZPRFMIFSA-N 348.428 3.544 10 40 EHCB O=C1c2ccccc2C(=O)c2c(NC(=O)[C@H]3C[C@@H]4CC[C@@H]3C4)cccc21 100673360 WKZCYYOAIIRMLF-XNJGSVPQSA-N 345.398 3.837 10 40 EHCB COC(=O)[C@]1(C)C[C@@H](c2ccc(N(C)C)cc2)N(c2ccccc2)O1 4042578 DSFUMKGWZKADQG-ICSRJNTNSA-N 340.423 3.567 10 40 EHCB CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C/Nc1ccc(C(=O)O)cc1 16312164 SKFPAKKXKSTCIR-WOJGMQOQSA-N 349.390 3.720 10 40 EHCB COc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)ccc1O 12907602 JXRWQBVSWWYLGD-GDNBJRDFSA-N 343.429 3.807 10 40 EHCB CCN1C(=O)/C(=C/c2ccc(N3CCCC3)c(F)c2)SC1=S 409369523 CJXCYXDWHCNCFK-UVTDQMKNSA-N 336.457 3.647 10 40 EHCB O=C1/C(=C\c2ccco2)N=C(c2ccccc2)N1c1ccc(O)cc1 408762040 MKQNFLWYKUIWFN-QGOAFFKASA-N 330.343 3.820 10 40 EHCB Cc1cc(C(=O)N[C@H](CCO)C(C)(C)C)c(C)n1-c1ccccc1 95993447 DXVUEJPUMNDASK-GOSISDBHSA-N 328.456 3.621 10 40 EHCB CCC[C@@H](C(=O)O)N1C(=O)/C(=C/C=C/c2ccccc2)SC1=S 5374256 UIHVDCQXXAMGEM-BPPVZLJZSA-N 347.461 3.697 10 40 EHCB Cc1ccc(N2NC(=O)/C(=C/C=C/c3ccccc3Cl)C2=O)cc1 32109842 OOWXYMYKDDAYPP-ZGCWVLQWSA-N 338.794 3.666 10 40 EHCB O=c1[nH]n2c(=O)cc(-c3ccccc3)[nH]c2c1/N=N/c1ccccc1F 103675267 AMGXWYUXHDIXJR-QURGRASLSA-N 349.325 3.537 10 40 EHCB Cc1cc(/C=C2\SC(=S)NC2=O)c(C)n1-c1ccccc1F 408996058 NWGITJZLCBKABK-ZSOIEALJSA-N 332.425 3.722 10 40 EHCB COc1ccc(NCc2cc(Br)ccc2O)cc1F 44836294 VTUZNDHQOQNICE-UHFFFAOYSA-N 326.165 3.915 10 40 EHCB O=C(O)CCN1C(=O)/C(=C/c2ccc3ccccc3c2)SC1=S 97990678 IVRBGZJDVLBNRM-UVTDQMKNSA-N 343.429 3.516 10 40 EHCB CC1=NN(c2ccc(Cl)c(C(=O)O)c2)C(=O)/C1=C\c1ccccc1 12412904 OXRQDOKWGLWLCH-ZROIWOOFSA-N 340.766 3.844 10 40 EHCB C[C@H]1CCCN(c2ccc(CNC(=O)Cc3ccccc3F)cc2)C1 225449554 ULOPXEZLFHLQIY-INIZCTEOSA-N 340.442 3.921 10 40 EHCB CCCC1=NN(c2nc3ccccc3s2)C(=O)/C1=C/NCC(C)C 100163518 HXNYIJZTPNIRDT-ACCUITESSA-N 342.468 3.929 10 40 EHCB Cc1nc(Cl)cc(N(Cc2ccco2)Cc2ccccc2O)n1 95460483 LUSLHZOOEUGPSI-UHFFFAOYSA-N 329.787 3.944 10 40 EHCB CN(C)c1ccc([C@@H]2Nc3sc4c(c3C(=O)N2C)CCCC4)cc1 213268 JUFQXVAXNBVLSZ-QGZVFWFLSA-N 341.480 3.889 10 40 EHCB COc1cccc([C@H]2CC(c3cccs3)=NN2C(=O)C(C)C)c1O 9260518 KCXBJWMJLQOTJW-CQSZACIVSA-N 344.436 3.796 10 40 EHCB CCOC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1ccccc1F 13801413 YBTYDKATKCXHCU-GDNBJRDFSA-N 331.387 3.544 10 40 EHCB CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H](C)c1ccccn1 71913615 MAAQIIUIRFWUCZ-INIZCTEOSA-N 340.471 3.829 10 40 EHCB C[C@@H](NC(=S)Nc1ccccc1)c1ccc(N2CCOCC2)cc1 140014399 SZMWWEQVOWURGV-OAHLLOKOSA-N 341.480 3.571 10 40 EHCB O=S(=O)(Nc1ccc2c(c1)OCO2)c1ccc(Cl)c(Cl)c1 7051990 ITAKPZCSWQRJDC-UHFFFAOYSA-N 346.191 3.523 10 40 EHCB CCOC(=O)c1ccccc1/N=N\c1cc(OC)c(N)cc1OC 104084168 SXLPPUULCBTCCN-VXPUYCOJSA-N 329.356 3.878 10 40 EHCB CC(C)c1ccc(S(=O)(=O)N(C)Cc2ccc(N(C)C)cc2)cc1 8389851 ZRRCOVJHDYYKFK-UHFFFAOYSA-N 346.496 3.697 10 40 EHCB CC(C)(C)NCc1cc(Br)cc(Br)c1O 32210190 POVQXWGLNGROCY-UHFFFAOYSA-N 337.055 3.805 10 40 EHCB CCc1ccc(/C=C2\C(=O)N(C3CCCC3)C(C)=C2C(=O)OC)cc1 35062521 SMTMSCPRVQEXAR-AQTBWJFISA-N 339.435 3.864 10 40 EHCB O=[N+]([O-])c1ccc(N=Nc2ccc(O)c([N+](=O)[O-])c2)c([N+](=O)[O-])c1 299888217 AFACWIHTAHXNEB-UHFFFAOYSA-N 333.216 3.532 10 40 EHCB Cc1nn(C(C)C)c(C)c1NCc1ccc(N2CCOCC2)cc1 84008425 DOBUTVYYSOSYBC-UHFFFAOYSA-N 328.460 3.530 10 40 EHCB CCCC(=O)N1N=C(c2cccs2)C[C@H]1c1cccc(OC)c1O 9970816 HSDZLAYZLVEBRG-AWEZNQCLSA-N 344.436 3.940 10 40 EHCB C[C@H]1CCCN(c2ccc(CNC(=O)Cc3ccc(F)cc3)cc2)C1 223793693 SPGPBOQXRBSNJJ-INIZCTEOSA-N 340.442 3.921 10 40 EHCB COc1ccc(C2=C/C(=C\c3ccc(F)cc3)C(=O)O2)cc1OC 5959966 UVFJQWDTZLNRKY-NTEUORMPSA-N 326.323 3.824 10 40 EHCB O=C1NC(=S)S/C1=C\c1c(OC(F)F)ccc2ccccc12 12623454 WUEBGHAWARRBIN-GHXNOFRVSA-N 337.372 3.930 10 40 EHCB Cc1ccc(/C=C2/C(=O)N(c3ccccc3C)C(=O)N=C2O)s1 17029217 RFGJUMMSYFUJKE-UKTHLTGXSA-N 326.377 3.872 10 40 EHCB CCCC[C@H]1C(=O)N2C=C(c3ccccc3)c3ccccc3N2C1=O 1564862 ZJJCMTPBBMBVPA-KRWDZBQOSA-N 332.403 3.986 10 40 EHCB Fc1ccccc1NC(=S)NCc1ccc(N2CCCC2)cc1 41744936 FHPHDXXJMFYKJG-UHFFFAOYSA-N 329.444 3.913 10 40 EHCB Cc1cc(NC(=O)[C@H](Sc2nccs2)c2ccccc2)no1 52914184 LDQZGBWXNULNCM-CYBMUJFWSA-N 331.422 3.912 10 40 EHCB CCN(CC)c1ccc(CNS(=O)(=O)c2cc(C)ccc2C)cc1 223422146 KVRWVAAFARQAQC-UHFFFAOYSA-N 346.496 3.628 10 40 EHCB Cc1ccc(C(=O)O)cc1-c1ccc(/C=C2/SC(=O)N(C)C2=O)o1 17071648 ANNVKJNNWWUKJB-RIYZIHGNSA-N 343.360 3.619 10 40 EHCB O=C1/C(=C\C=C\Nc2ccccc2)C(O)=NC(=S)N1c1ccccc1 13784734 OSRYKNIPVQQFFR-QDIIEIGVSA-N 349.415 3.827 10 40 EHCB O=C(O)CCc1ccc(-c2ccccc2)n1-c1cccc(C(=O)O)c1 559578 VVNIDALQAIUGOU-UHFFFAOYSA-N 335.359 3.860 10 40 EHCB COc1ccc(/C=C2/SC(N3CCCC[C@@H]3C)=NC2=O)cc1OC 59475387 PLJZSSGEIGOXSF-JASJWYONSA-N 346.452 3.549 10 40 EHCB COC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1ccccc1 408770188 UKXODRHQAICGHE-AQTBWJFISA-N 349.386 3.572 10 40 EHCB CCN(CC)c1ccc(CNC(=O)COc2ccc(C)c(C)c2)cc1 225630195 YICMEPNBSVXNNY-UHFFFAOYSA-N 340.467 3.845 10 40 EHCB O=[N+]([O-])c1ccc(CN(Cc2ccco2)Cc2ccccc2O)o1 95430310 VYNSVKHNOLAAAC-UHFFFAOYSA-N 328.324 3.689 10 40 EHCB CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C/NCc1ccccc1 100044389 MFTTXNVCGDNXOS-SFQUDFHCSA-N 325.799 3.736 10 40 EHCB Cc1cc(-c2csc(CC(N)=O)n2)c(C)n1-c1ccc(Cl)cc1 8042228 NFOMWMLMFIXAOZ-UHFFFAOYSA-N 345.855 3.899 10 40 EHCB Cc1ccc(NC2=NC(=O)/C(=C\c3ccc(O)c(O)c3)S2)c(C)c1 35644359 PIFUCTJXYYHTSG-CXUHLZMHSA-N 340.404 3.797 10 40 EHCB CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H](C)c1ccncc1 72289640 GZURRWPBFQRWOC-INIZCTEOSA-N 340.471 3.829 10 40 EHCB OC1CCN(c2ccc(CNC/C=C/c3ccccc3)cc2F)CC1 75126856 BNSRVPYWFXFGDI-QPJJXVBHSA-N 340.442 3.590 10 40 EHCB O=C(Nc1ccc(F)cc1)N(Cc1ccccc1O)C[C@@H]1CCCO1 32937675 KJFCEGMNZAQOBR-KRWDZBQOSA-N 344.386 3.744 10 40 EHCB O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc(F)cc1 5668652 CHDNYKCUMYVNRK-UHFFFAOYSA-N 345.329 3.853 10 40 EHCB CC(=O)c1ccc(N/C=C2\C(=O)N(c3cccc(C)c3)N=C2C)cc1 408529247 IWLQINWFPRVJFL-UNOMPAQXSA-N 333.391 3.916 10 40 EHCB Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C)n1-c1ccccc1 222764138 YJXIOZCIFPMTGR-RBUKOAKNSA-N 348.475 3.783 10 40 EHCB COCc1cc(C)nc2sc(C(=O)OCc3ccccc3)c(N)c12 12445346 ZJVLBQKQTZZBDY-UHFFFAOYSA-N 342.420 3.690 10 40 EHCB COc1ccc(OC)c(/C=C2/SC(N3CCCC[C@@H]3C)=NC2=O)c1 59497983 RVSVSTADFAFNNA-JASJWYONSA-N 346.452 3.549 10 40 EHCB CN(Cc1ccc(N(C)C)cc1)C(=O)Nc1cccc2cnccc12 43162196 MJIAZKLEDJKQRI-UHFFFAOYSA-N 334.423 3.965 10 40 EHCB COc1ccc(N2N=C(C)/C(=C(\C)Nc3ccc(F)cc3)C2=O)cc1 112112185 PEOQADQGKOOOMU-PDGQHHTCSA-N 339.370 3.943 10 40 EHCB CCN(CC)c1ccc(CNC(=O)[C@H](C)Oc2ccccc2C)cc1 222742629 LXHKDRMIPHPNBD-KRWDZBQOSA-N 340.467 3.925 10 40 EHCB CCCC(=O)N1N=C(c2ccc(OC)cc2)C[C@@H]1c1ccccc1O 8774928 GMHVGTCGMOWSAV-GOSISDBHSA-N 338.407 3.879 10 40 EHCB COCCn1c(C)cc(/C=C2\C(=O)Nc3cc(Cl)ccc32)c1C 13527235 WHUXFTSUQAAORN-SXGWCWSVSA-N 330.815 3.897 10 40 EHCB O=C1N=C(Nc2ccccn2)S/C1=C/c1ccc2ncccc2c1 13725069 SUPYROXBWYCTIS-RVDMUPIBSA-N 332.388 3.712 10 40 EHCB Cc1cc(C(=O)[C@H](C)Sc2nncn2C)c(C)n1-c1ccccc1 5711407 MATACIJGNLXHRX-AWEZNQCLSA-N 340.452 3.586 10 40 EHCB CC1=NN(c2cccc(C)c2)C(=O)/C1=C\NNc1ccccc1Cl 408527232 FNMZAOJKALXJPT-PTNGSMBKSA-N 340.814 3.872 10 40 EHCB CCOC(=O)c1ccccc1N/C=C1\C(=O)N(c2ccccc2)N=C1C 5024173 RSPGGRDGIPGHLT-LGMDPLHJSA-N 349.390 3.582 10 40 EHCB CO[C@H](C)C(=O)N[C@H](c1ccccc1)c1c(O)ccc2ccccc12 57995887 BTSRRYPCNHWVPH-JLTOFOAXSA-N 335.403 3.786 10 40 EHCB Cc1ccc(C)n1-c1ccc(C(=O)NCCCN2CCCCC2)cc1 36686459 CBVXRWDXGDMADX-UHFFFAOYSA-N 339.483 3.700 10 40 EHCB CC1CCN(Cc2c(O)c(Cl)cc3c4c(c(=O)oc23)CCC4)CC1 20149640 MKNNUMWWIGUASK-UHFFFAOYSA-N 347.842 3.873 10 40 EHCB COC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1cccc(Cl)c1 68626 URFTYQCGYIEEIK-DHDCSXOGSA-N 333.815 3.669 10 40 EHCB CCN1C(=O)/C(=C/c2cc(Br)cs2)SC1=S 214426311 QYRCKTQUPWOABZ-YWEYNIOJSA-N 334.285 3.732 10 40 EHCB Cc1ccc(-n2c(C)cc(C(=O)COC(=O)C3CC3)c2C)cc1C 5711204 ZSCLQNWFXPEESI-UHFFFAOYSA-N 325.408 3.847 10 40 EHCB Cc1ccc(C)c2c(C)c(C(=O)NCCc3ccc(O)c(O)c3)oc12 89626902 WMRFQKJXXBRXQP-UHFFFAOYSA-N 339.391 3.742 10 40 EHCB COc1ccc(CCN2C(=O)/C(=C/c3ccco3)SC2=S)cc1 6736544 CDSRZLIOMMCIPG-PTNGSMBKSA-N 345.445 3.732 10 40 EHCB COc1ccc(/C=C2\C=C(c3ccc(F)cc3)OC2=O)cc1OC 12469827 YAFGLTLZXBUTKT-NTEUORMPSA-N 326.323 3.824 10 40 EHCB Cc1ccc(N2C(=O)N=C(O)/C(=C/C=C/Nc3ccccc3)C2=O)cc1 6897974 QFEHYTVKEKLZAN-DSIZIARHSA-N 347.374 3.970 10 40 EHCB C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCOc2cc(N(C)C)ccc21 89905353 HBKNIKQOHCQNER-ZDUSSCGKSA-N 327.384 3.621 10 40 EHCB COc1cc(C)cc(CN2CCN(c3cccc(C)c3C)CC2)c1O 89686576 TZTBOFLOBVFNNL-UHFFFAOYSA-N 340.467 3.648 10 40 EHCB COc1ccc(C2=C/C(=C\c3ccc(C)c([N+](=O)[O-])c3)C(=O)O2)cc1 408741373 ILPWXFHVHXRIOM-OQLLNIDSSA-N 337.331 3.893 10 40 EHCB CN(C)c1ccc(/C=C2\S[C](Nc3ccccc3F)NC2=O)cc1 408814523 ZIRBMIYGAAPPIU-UHFFFAOYSA-N 342.419 3.655 10 40 EHCB COc1ccc(NC(=S)NCc2ccc(N3CCCC3)cc2)cc1 41744891 ALAXVKKVHIAVKM-UHFFFAOYSA-N 341.480 3.782 10 40 EHCB Nc1cc(Cl)ccc1Nc1nc(-c2cccnc2)ccc1C(=O)O 5580433 YSQNVAOVLZHSJW-UHFFFAOYSA-N 340.770 3.821 10 40 EHCB C[C@H]1COCCN1CC(=O)Nc1ccc(/N=N/c2ccccc2)cc1 26451001 KRXUNBPMZUCCAX-SKAIHHOBSA-N 338.411 3.761 10 40 EHCB COc1ccc(/N=N\N=c2\sc3cc(OC)ccc3n2C)cc1 17174687 YVBHXLSKGYTHJX-KZTQHSAISA-N 328.397 3.857 10 40 EHCB COC(=O)C1=C(C)N(C2CCCCC2)C(=O)/C1=C\c1cccs1 118638 DZKZKZMNBHKIBN-PTNGSMBKSA-N 331.437 3.753 10 40 EHCB Cc1ccc(/C=C2\SC(=S)N([C@@H](CC(C)C)C(=O)O)C2=O)cc1 5371176 BIBPCNRRQKYNBO-GFAPJHNFSA-N 349.477 3.696 10 40 EHCB Cc1cc(N[C@H](c2cccnc2)c2ccc3cccnc3c2O)no1 38299 IUJMZOWHMWOMAX-QGZVFWFLSA-N 332.363 3.833 10 40 EHCB C[C@H](Oc1cccc(Cl)c1)C(=O)N(C)Cc1ccc(N(C)C)cc1 28336223 ASTNKBQWDVZGFY-AWEZNQCLSA-N 346.858 3.832 10 40 EHCB COC(=O)c1cccc(-n2c(CCC(=O)O)ccc2-c2ccccc2)c1 3634681 JOZXVRPPOBUNQV-UHFFFAOYSA-N 349.386 3.948 10 40 EHCB CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C\NNc1ccccc1C 100040873 VLDRUJUAYNZUQF-PDGQHHTCSA-N 334.423 3.835 10 40 EHCB CC1=NN(c2ccccc2)C(=O)/C1=C/n1c(=S)[nH]c2ccccc21 104304121 WHKAAAXPODTOJI-SDNWHVSQSA-N 334.404 3.962 10 40 EHCB O=C(NCc1cc([N+](=O)[O-])ccc1O)c1cccc(Cl)c1Cl 35325381 MZZVPHWESXKIEE-UHFFFAOYSA-N 341.150 3.537 10 40 EHCB C[C@@H](NC(=O)/C=C/c1ccc(N(C)C)cc1)c1ccc(F)cc1F 12814216 NDQQYKNDWAYWCS-ASJRZHAZSA-N 330.378 3.921 10 40 EHCB Cc1cc(C(=O)NCC2CC2)c(C)n1-c1cccc(Br)c1 48374052 ZODNIFHAHCQBDR-UHFFFAOYSA-N 347.256 3.996 10 40 EHCB O=C1/C(=C\c2ccccc2)SC(=S)N1C(=O)c1ccccc1F 5515174 OEXYECVZNVOLDZ-GXDHUFHOSA-N 343.404 3.867 10 40 EHCB O=S(=O)(Nc1nc(-c2ccc(F)cc2)cs1)c1cccs1 2662924 VGJKNTIPNFCZRD-UHFFFAOYSA-N 340.426 3.812 10 40 EHCB CN(C)c1ccc([C@@H]2CC(c3ccco3)=NN2C(=O)c2ccco2)cc1 58196765 JFIMFBFEZAVQGL-KRWDZBQOSA-N 349.390 3.930 10 40 EHCB CC(=O)Nc1ccc(NC2=NC(=O)/C(=C/c3ccccc3)S2)cc1 5372471 GFQUMSMKQSFNBM-WJDWOHSUSA-N 337.404 3.727 10 40 EHCB Cc1ccccc1NC1=NC(=O)/C(=C\c2ccc3c(c2)OCO3)S1 6456560 LKAVHPCBVYWXGW-CXUHLZMHSA-N 338.388 3.806 10 40 EHCB COc1ccc(/C=C2\C(=O)N(c3ccccc3C)C(=O)N=C2O)cc1 21670043 KTXKUPYWXHVWAW-PTNGSMBKSA-N 336.347 3.510 10 40 EHCB CC(C)c1ccc(/C=C2\C(=O)NN(c3cccc(Cl)c3)C2=O)cc1 5481985 FPWSMRWZXJITGM-LICLKQGHSA-N 340.810 3.925 10 40 EHCB Cc1ccc(NCc2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1C 216737009 VTOLTAAOZCMODB-UHFFFAOYSA-N 341.411 3.660 10 40 EHCB CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C\NCc1ccccc1 6556327 OFKNZQJWJUCLBK-ATVHPVEESA-N 325.799 3.736 10 40 EHCB COC(=O)C1=C(C)N(Cc2ccccc2)C(=O)/C1=C\c1ccccc1 277488 JZFUSHKGMBOUTO-AQTBWJFISA-N 333.387 3.559 10 40 EHCB C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Cc1cccc2ccccc12 96011691 KELBPVFMKCZYEU-AWEZNQCLSA-N 335.403 3.541 10 40 EHCB COc1ccc(N2N=C(C)/C(=C(\C)NCCc3ccccc3)C2=O)cc1 103916343 WYQIGUUFGURMQE-HKWRFOASSA-N 349.434 3.524 10 40 EHCB CCOc1ccc(O)c(CN[C@H](C)c2cc(OC)ccc2OC)c1 71792497 XIKPHGLMGLZWFZ-CYBMUJFWSA-N 331.412 3.659 10 40 EHCB Cc1cccc(/C=C2/SC(=S)N(CCCCCC(=O)O)C2=O)c1 35648358 HOIDKZHNBXDVFZ-SDNWHVSQSA-N 349.477 3.841 10 40 EHCB CN(C)c1ccc([C@H]2Nc3sc4c(c3C(=O)N2C)CCCC4)cc1 213263 JUFQXVAXNBVLSZ-KRWDZBQOSA-N 341.480 3.889 10 40 EHCB CC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)NCc1ccc(F)cc1 103916332 IOCMSYQAKBAWOW-PDGQHHTCSA-N 341.361 3.751 10 40 EHCB O=C(NCc1cc([N+](=O)[O-])ccc1O)c1cc(Cl)ccc1Cl 35325377 IVQDGZFIVWAXET-UHFFFAOYSA-N 341.150 3.537 10 40 EHCB O=C1NC(=S)S/C1=C\c1c(Cl)cc(Cl)c(O)c1Cl 15224350 OYOHBBCZTILPIW-BHQIHCQQSA-N 340.640 3.841 10 40 EHCB Cc1nn(C)c(C)c1/C=C/C(=O)N1CCCSc2ccccc21 7717612 GMTBDERFUNTLPR-MDZDMXLPSA-N 327.453 3.579 10 40 EHCB O=C1N=C(O)/C(=C\c2ccccc2Cl)C(=O)N1c1ccccc1 33389224 GVJOWFQLWQKKOJ-JLHYYAGUSA-N 326.739 3.847 10 40 EHCB COCCNCc1cc(C)n(-c2cccc(C(F)(F)F)c2)c1C 223675032 FMVDTGLJVQHQTA-UHFFFAOYSA-N 326.362 3.849 10 40 EHCB CCCOc1ccc(/C=C2/SC(=S)N(CC)C2=O)cc1OC 2765268 LNFNDAQTMFWTJY-GXDHUFHOSA-N 337.466 3.705 10 40 EHCB CC(C)Oc1ccccc1C=C1C(=O)OC(c2ccccc2)OC1=O 360968 VUTOMVBHMLAVMT-UHFFFAOYSA-N 338.359 3.656 10 40 EHCB CC(=O)Nc1ccc(NC2=NC(=O)/C(=C\c3ccc(C)o3)S2)cc1 2702299 MAWJEBFZLHUOBN-OQLLNIDSSA-N 341.392 3.629 10 40 EHCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(-c2ccccc2F)o1 33286283 KCKHVSPERCRBOU-VBKFSLOCSA-N 348.333 3.547 10 40 EHCB CCC(=O)N1N=C(c2ccc(O)c(OC)c2)C[C@@H]1c1cccc(C)c1 95946344 KIPMLEPHJZUKSB-QGZVFWFLSA-N 338.407 3.797 10 40 EHCB c1cc(OC[C@@H]2CO2)ccc1/N=N\c1ccc(OC[C@@H]2CO2)cc1 104203963 ZXKWAVIXAFUNSC-CIZKTZFGSA-N 326.352 3.657 10 40 EHCB CCCN1C(=O)N/C(=C/c2cc(C)n(-c3cccc(F)c3)c2C)C1=O 409228260 WMDVCKYTXOKQGV-LICLKQGHSA-N 341.386 3.536 10 40 EHCB O=C1/C(=C/c2ccccc2)SC(=S)N1C(=O)c1ccccc1F 5369771 OEXYECVZNVOLDZ-UVTDQMKNSA-N 343.404 3.867 10 40 EHCB Cc1ccc(-n2c(C)cc(C(=O)COC(=O)C3CC3)c2C)cc1F 5711236 DFEYXROJZCLSGE-UHFFFAOYSA-N 329.371 3.678 10 40 EHCB Cc1ccccc1C(=O)c1ccc2c(c1N)C(=O)c1ccccc1C2=O 5520570 HSDUVPRARAXLSY-UHFFFAOYSA-N 341.366 3.584 10 40 EHCB CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C\NC1CCCCC1 17994397 BEJSAHSRNBFOJL-KAMYIIQDSA-N 340.452 3.825 10 40 EHCB COc1cc2c(cc1OC)C(/C=C/c1ccc(N(C)C)cc1)=NCC2 488118 PWSDHMIEMOPUPB-JXMROGBWSA-N 336.435 3.828 10 40 EHCB biogenic O=C(O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc3c(c1)OCO3)N2 408736651 YVGOSZAHVNVFHJ-TYILLQQXSA-N 335.359 3.940 10 40 EHCB CCCC[C@@H](C(=O)O)N1C(=O)/C(=C\c2cccs2)SC1=S 4745686 CMEZJBQFAUUVPY-NGPGYTDTSA-N 341.479 3.593 10 40 EHCB CC[C@@H](C)[C@H](C(=O)O)N1C(=O)/C(=C/c2ccccc2C)SC1=S 5373422 UCYRXXMLAQELET-WGQGCQLISA-N 349.477 3.696 10 40 EHCB COc1ccccc1N[C@@H]1SC(=O)N(c2ccccc2C)C1=O 8415861 YMGNAFOFAFLSJE-OAHLLOKOSA-N 328.393 3.642 10 40 EHCB CN(CC(=O)NC(C)(C)C)Cc1cc(Cl)c2ccccc2c1O 14183181 RSRDZMPQMKMYPH-UHFFFAOYSA-N 334.847 3.545 10 40 EHCB Cc1cccnc1NC(=S)NCc1ccc(N2CCCCC2)cc1 225419122 KXXZWJUWYWMTEK-UHFFFAOYSA-N 340.496 3.867 10 40 EHCB Cc1cc2oc(=O)c3c(c2c(O)c1CN1CCC(C)CC1)CCC3 5235467 LVBCTEXATGQOPJ-UHFFFAOYSA-N 327.424 3.528 10 40 EHCB CCOc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1OC(C)C 409348603 NRKVVZODFGAHAS-ZROIWOOFSA-N 337.466 3.704 10 40 EHCB Cc1cccc(NC2=NC(=O)/C(=C\c3ccc(O)c(O)c3)S2)c1C 4468043 USTZKVKLINTJHZ-CXUHLZMHSA-N 340.404 3.797 10 40 EHCB O=C(NCCc1ccc(O)c(O)c1)Nc1ccc(Cl)c(Cl)c1 5670571 CBODQCXSDKGJEZ-UHFFFAOYSA-N 341.194 3.769 10 40 EHCB CCN(CC)c1ccc([C@H]2NN=C(c3ccccc3)S2)c(O)c1 59408976 XLTIHYROSTVQMA-SFHVURJKSA-N 327.453 3.935 10 40 EHCB COc1ccc(N2CCC(NC(=O)CC(C3CC3)C3CC3)CC2)cc1 65609461 OHJCSUUICJBPFQ-UHFFFAOYSA-N 342.483 3.607 10 40 EHCB Oc1ccccc1C1=N[C@@H](c2ccccn2)N[C@H](c2ccccc2O)C1 80324883 OFWAEIMXKGFGCG-UWJYYQICSA-N 345.402 3.715 10 40 EHCB Cc1c(O)c(CN2CCCC2)cc2c3c(c(=O)oc12)CCCCC3 4540373 QGYKMXFREOWYIR-UHFFFAOYSA-N 327.424 3.672 10 40 EHCB Cc1ccc(N2C(=O)/C(=C/C=C/c3ccco3)C(O)=NC2=S)cc1 1241625 CRWXIJZMYXMQLH-XEXQVEHGSA-N 338.388 3.816 10 40 EHCB CCCCN1C(=O)/C(=C\c2cc(OC)ccc2OC)SC1=S 9188390 RMQLSUJMZLLFOJ-GXDHUFHOSA-N 337.466 3.705 10 40 EHCB O=C1c2ccccc2N[C@@H](c2ccccc2O)N1Cc1cccnc1 57771083 ZYMMRBIZXFKDTF-LJQANCHMSA-N 331.375 3.554 10 40 EHCB CN(C)c1ccc(CNC(=O)Cc2c(Cl)cccc2Cl)cc1 6831386 VXGBXEZXKAWQMZ-UHFFFAOYSA-N 337.250 3.918 10 40 EHCB CC(C)c1ccc(/C=C2\SC(=S)N(CCCC(=O)O)C2=O)cc1 13343530 VJYFDUMPUKFDCD-UVTDQMKNSA-N 349.477 3.876 10 40 EHCB NC(=O)c1cccc2c1N[C@@H](c1cccc([N+](=O)[O-])c1)[C@@H]1CC=C[C@H]21 4725825 ULMBGXXVZASLBH-VBQJREDUSA-N 335.363 3.520 10 40 EHCB Cc1ccccc1C(=O)Oc1cccc2c1C(=O)c1ccccc1C2=O 4659169 KRDCGQYNLGBBLD-UHFFFAOYSA-N 342.350 3.990 10 40 EHCB CC(C)(C)OC(=O)N1CCCC[C@H]1[C@@](O)(CN=[N+]=[N-])c1ccccc1 72208042 GGBYJGCBYMWWLW-MAUKXSAKSA-N 346.431 3.974 10 40 EHCB CC1=NN(c2ccccc2)C(=O)/C1=C\NNc1cccc(Cl)c1 16160698 DKVLRHQMHHZSFP-WJDWOHSUSA-N 326.787 3.563 10 40 EHCB c1cc(OC[C@@H]2CO2)ccc1/N=N/c1ccc(OC[C@@H]2CO2)cc1 4566564 ZXKWAVIXAFUNSC-UELNFNFASA-N 326.352 3.657 10 40 EHCB CCOc1ccccc1/C=C1/C(=O)N(C(=O)c2ccccc2)N=C1C 408936723 HJBIMOMTDJNMKX-GHRIWEEISA-N 334.375 3.527 10 40 EHCB CCOc1ccccc1/C=C1\SC(NC2CCCCC2)=NC1=O 8322946 TZZWBQDVSPPHMF-VBKFSLOCSA-N 330.453 3.978 10 40 EHCB NS(=O)(=O)c1ccc(/N=N/c2c(O)ccc3ccccc23)cc1 100007181 HNCQBQORWDWXNN-VHEBQXMUSA-N 327.365 3.608 10 40 EHCB Cc1[nH]c2ccccc2c1C=C1C(=O)OC2(CCCCC2)OC1=O 92728 QFNUMHWMGPYNRJ-UHFFFAOYSA-N 325.364 3.620 10 40 EHCB O=C1/C(=C/C=C/c2ccccc2)SC(=S)N1C[C@@H]1CCCO1 13739202 IEVDSMZLFHKILP-PFVGPUFPSA-N 331.462 3.623 10 40 EHCB CN(C)CCCN1C(=O)/C(=C/c2cc3ccccc3o2)SC1=S 96935924 FUEJMSQWYZXCJK-PTNGSMBKSA-N 346.477 3.586 10 40 EHCB CCN(CC)c1ccc(CNC(=O)CCc2ccccc2F)cc1 225564361 UQXXWTGTGXLCRK-UHFFFAOYSA-N 328.431 3.921 10 40 EHCB COC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(C(=O)O)cc1)N2 4450141 GJGGLGFZQPLXPH-BXWFABGCSA-N 349.386 3.998 10 40 EHCB COc1ccccc1C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 12526824 IJEAFSQRNFJRKJ-UHFFFAOYSA-N 338.451 3.958 10 40 EHCB C1=C(c2c[nH]c3ncccc23)CCN(c2ncnc3ccccc23)C1 25151287 MSGSKBJQCYNHGR-UHFFFAOYSA-N 327.391 3.800 10 40 EHCB Cc1ccc(C(=O)O)cc1NC1=NC(=O)/C(=C\c2ccccc2)S1 35042426 OLCRHEMPQPSECX-OQLLNIDSSA-N 338.388 3.776 10 40 EHCB CCCC(=O)N1N=C(c2cccc(OC)c2)C[C@H]1c1ccccc1O 95116065 XZYBUOGVZMZFSD-SFHVURJKSA-N 338.407 3.879 10 40 EHCB Cc1cc(C(=O)C(=O)N(C)C)c(C)n1-c1ccc(Cl)c(Cl)c1 3131352 AZZRTBOQHDTVSK-UHFFFAOYSA-N 339.222 3.672 10 40 EHCB Cc1cnc(N2C(=O)[C@H](C)S[C@H]2c2ccc(N(C)C)cc2)s1 19927674 VQRFFTGSCRYXFF-NHYWBVRUSA-N 333.482 3.685 10 40 EHCB CCOC(=O)CSC1=NC(=O)/C(=C\c2ccc(Cl)cc2)S1 4472986 ZAKMNXNKYSLRSY-YRNVUSSQSA-N 341.841 3.607 10 40 EHCB CN(C)c1ccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)o1 408903189 VJOLWCHQUNBLJW-JLHYYAGUSA-N 330.434 3.751 10 40 EHCB O=C(CSc1nnc2c(n1)[nH]c1ccccc12)c1ccccc1F 6557804 JXXJNWFDGKELKL-UHFFFAOYSA-N 338.367 3.620 10 40 EHCB Cc1cnc(N2C(=O)[C@@H](C)S[C@@H]2c2ccc(N(C)C)cc2)s1 19927684 VQRFFTGSCRYXFF-IAQYHMDHSA-N 333.482 3.685 10 40 EHCB CC[C@@H](C(=O)O)N1C(=O)/C(=C\C(C)=C/c2ccccc2)SC1=S 8659751 KJENGCMUGBOVLB-KUAJRJNYSA-N 347.461 3.697 10 40 EHCB CCN1C(=O)/C(=C/c2cc(C)n(C3CCCC3)c2C)N(C)C1=S 409127795 JXOBEFPDVWWGQZ-WJDWOHSUSA-N 331.485 3.640 10 40 EHCB Cc1c(/C=C2/C(=O)N(c3ccccc3)N=C2c2ccccc2)cnn1C 6527480 NOALKHQSSMWDII-CPNJWEJPSA-N 342.402 3.563 10 40 EHCB COc1ccc(N(C)CCCNC(=O)c2ccc(C)cc2Cl)cc1 225005662 XCVLPUCNPAGKOA-UHFFFAOYSA-N 346.858 3.913 10 40 EHCB C[C@H]1Oc2ccccc2C=C1/C=C1/SC(Nc2ccccn2)=NC1=O 13691424 JRGLBLRFMOHYNE-PILJQMSFSA-N 349.415 3.871 10 40 EHCB CCc1ccc(N2C(=O)N=C(O)/C(=C\C=C\c3ccco3)C2=O)cc1 459262 VEBQWOYTHCITLV-FWPHUCDGSA-N 336.347 3.905 10 40 EHCB COc1cc(/C=C2\C=C(c3cccs3)OC2=O)cc(OC)c1OC 409054579 SVFUNTUUIMUAKR-KPKJPENVSA-N 344.388 3.755 10 40 EHCB CCc1cccc2c(/C=C3\SC(=S)N(CCOC)C3=O)c[nH]c12 409138735 HFTYPMJXRWDDHL-ZROIWOOFSA-N 346.477 3.578 10 40 EHCB Cc1ccc(OCC(=O)NCc2ccc(N3CCCC3)cc2)cc1C 13646364 KHJJEQYVGFRDQS-UHFFFAOYSA-N 338.451 3.599 10 40 EHCB O=C(OCc1ccccc1)c1cccc2c1C(=O)c1ccccc1C2=O 6428160 CFZNRXWMJKOAOC-UHFFFAOYSA-N 342.350 3.819 10 40 EHCB CCc1ccccc1NC1=NC(=O)/C(=C/c2ccc(O)c(O)c2)S1 6871092 BHZIWISPUXHPLG-YBEGLDIGSA-N 340.404 3.743 10 40 EHCB CC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)NCc1cccs1 103916421 YJOGTNKSQYOALK-WJDWOHSUSA-N 329.400 3.674 10 40 EHCB Oc1ccccc1C1=N[C@@H](c2ccccn2)N[C@@H](c2ccccc2O)C1 80324888 OFWAEIMXKGFGCG-UTKZUKDTSA-N 345.402 3.715 10 40 EHCB CCCC[C@H](C(=O)O)N1C(=O)/C(=C/c2ccccc2)SC1=S 5371115 DVCUAESYIMTCRG-YGYTWAPGSA-N 335.450 3.531 10 40 EHCB CCCOc1ccc(/C=C2/SC(=S)N(C)C2=O)cc1OCC 6265121 LQOAHMYBOHMBLN-GXDHUFHOSA-N 337.466 3.705 10 40 EHCB COc1ccc(O)c(/C=C2/SC(=S)N(C3CCCCC3)C2=O)c1 113830398 ZIRYMODERUBINU-XNTDXEJSSA-N 349.477 3.935 10 40 EHCB CCOc1ccc([C@H]2CCCN2Cc2cc3c(cc2O)OCO3)cc1 8189651 HINPLPFTMJKWLY-QGZVFWFLSA-N 341.407 3.857 10 40 EHCB CC(C)n1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c2ccccc21 409400083 OOZJAGOSRURTJH-PDGQHHTCSA-N 345.402 3.684 10 40 EHCB COC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1ccc(F)cc1 6591305 XNAXVGWTWYJWMT-ATVHPVEESA-N 337.350 3.703 10 40 EHCB CN(C)c1ccc(/C=C2/SC(Nc3ccc(O)cc3)=NC2=O)cc1 1235866 JWEILOGFOMOOHH-LFIBNONCSA-N 339.420 3.541 10 40 EHCB CCc1ccc(NC(=S)NCCN(C)c2ccc(OC)cc2)cc1 225797816 XSYLOOBUBDUXEA-UHFFFAOYSA-N 343.496 3.680 10 40 EHCB COC(=O)c1ccc(N/C(C)=C2\C(=O)N(c3ccccc3)N=C2C)cc1 112114445 SGSJZXCMJJGHQF-AQTBWJFISA-N 349.390 3.582 10 40 EHCB CCOc1ccc(C2=C/C(=C/c3ccc4c(c3)OCO4)C(=O)O2)cc1 199954 NVOMONYCHSIWOB-DHDCSXOGSA-N 336.343 3.795 10 40 EHCB CC(=O)c1ccc(N2C(=O)/C(=C\c3cccnc3)SC2=S)cc1 35041501 BRVCOMAFCDJEEQ-OQLLNIDSSA-N 340.429 3.690 10 40 EHCB CCCC(=O)N1N=C(c2cccc(OC)c2O)C[C@@H]1c1ccccc1 97105844 XHMQHSOQUHSCTO-QGZVFWFLSA-N 338.407 3.879 10 40 EHCB O=C1NN=C(c2ccccc2)/C1=C/Nc1cccc(C(F)(F)F)c1 100408023 DXKUHAOGVKMMMH-UVTDQMKNSA-N 331.297 3.535 10 40 EHCB CCCCc1ccc(NC(=O)[C@@]23CC[C@](C)(C(=O)C2=O)C3(C)C)cc1 100629500 PPRDJLZONBKPBL-NHCUHLMSSA-N 341.451 3.932 10 40 EHCB COC(=O)C1=C(C)N(C2CCCC2)C(=O)/C1=C\c1cccc(C)c1 109011973 RNUPCQHRIIRIKN-ATVHPVEESA-N 325.408 3.610 10 40 EHCB NS(=O)(=O)c1ccc(Nc2c3ccccc3nc3ccccc23)cc1 5162777 KJTUTENUUQRHAB-UHFFFAOYSA-N 349.415 3.779 10 40 EHCB C[C@H]1CN(c2ccc(CNC(=O)C3CCCCC3)cc2F)C[C@@H](C)O1 48354853 IIUPPWSFSUEZKH-GASCZTMLSA-N 348.462 3.636 10 40 EHCB O=C1/C(=C/c2ccccc2Cl)SC(=S)N1C[C@H]1CCCO1 13564073 KQTDRQTZVZTTBR-JYVXZMADSA-N 339.869 3.720 10 40 EHCB CC1=NN(c2ccccc2)C(=O)/C1=C\C=C\c1ccccc1[N+](=O)[O-] 13942053 BYAJMWGQNVIFOI-ULPTZDRWSA-N 333.347 3.957 10 40 EHCB C[C@@H]1c2ccsc2CCN1Cc1ccc(N2CCOCC2)c(F)c1 19498356 DBEPYPKHFHLPLH-CQSZACIVSA-N 346.471 3.843 10 40 EHCB O=C1/C(=C\c2ccc(F)cc2)SC(=S)N1C(=O)c1ccccc1 5005523 OKXDVYMUWAEXFA-GXDHUFHOSA-N 343.404 3.867 10 40 EHCB O=C1/C(=C/c2cccc(O)c2)SC(=S)N1c1ccc(F)cc1 15015238 MXGWZPKJPKOGCH-ZROIWOOFSA-N 331.393 3.937 10 40 EHCB CN1C(=O)/C(=C\c2cc([N+](=O)[O-])c(Cl)cc2Cl)SC1=S 113830715 JKJYEQQLUQSJLW-YCRREMRBSA-N 349.220 3.733 10 40 EHCB O=C1/C(=C/c2cccc(O)c2)SC(=S)N1c1ccccc1F 409335638 XXPSJGGGSCBHEG-ZROIWOOFSA-N 331.393 3.937 10 40 EHCB O=C1NC(=S)S/C1=C/c1c(Cl)cc(Cl)c(O)c1Cl 1093065 OYOHBBCZTILPIW-LZCJLJQNSA-N 340.640 3.841 10 40 EHCB CC1(C)[C@]2(C)CC[C@@]1(C(=O)Oc1cccc3ccccc13)C(=O)C2=O 8236611 TUXHJAYAJVLVRS-RTWAWAEBSA-N 336.387 3.710 10 40 EHCB O=C1/C(=C/c2cccc(O)c2)SC(=S)N1c1cccc(F)c1 409329974 JGSARFGMOAMEDJ-ZSOIEALJSA-N 331.393 3.937 10 40 EHCB COc1ccc2nc3cc(Cl)ccc3c(NN3CCOCC3)c2c1 255187792 GUKLNQGOXOGWJT-UHFFFAOYSA-N 343.814 3.709 10 40 EHCB Cc1cccc(-n2ccnc2SCC(=O)c2ccc(O)c(O)c2)c1 26046382 SVZJPBQXDODEPX-UHFFFAOYSA-N 340.404 3.567 10 40 EHCB O=C1NN=C(C(F)(F)F)/C1=C\Nc1ccc(Oc2ccccc2)cc1 100408792 MUJKNWMKAIBWNC-GXDHUFHOSA-N 347.296 3.823 10 40 EHCB C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@H]2c2ccc(N(C)C)cc2)S1 260778436 RNJNNFWPERLUPS-JEBQAFNWSA-N 338.480 3.737 10 40 EHCB CC[C@@H](C)[C@H](C(=O)O)N1C(=O)/C(=C/c2cccc(C)c2)SC1=S 5373468 FARBAWLPXWCQJK-OIVWFDOYSA-N 349.477 3.696 10 40 EHCB Cc1ccc(C)c(N2C(=O)N=C(O)/C(=C\c3cccs3)C2=O)c1 8770601 MWNNJIZVIVFQCF-UKTHLTGXSA-N 326.377 3.872 10 40 EHCB Cc1c(C(=O)N(C)Cc2ccccc2O)oc2c1C(=O)CC(C)(C)C2 53916311 NMOXYCCYBCDONU-UHFFFAOYSA-N 341.407 3.721 10 40 EHCB CC(C)(C)OC(=O)N1CCCC[C@H]1[C@](O)(CN=[N+]=[N-])c1ccccc1 72208044 GGBYJGCBYMWWLW-YJBOKZPZSA-N 346.431 3.974 10 40 EHCB Cc1ccc(C(C)C)c(O)c1CN1CCC[C@H](C(=O)NCC2CC2)C1 95996994 VZMNAYBXVJVILN-KRWDZBQOSA-N 344.499 3.562 10 40 EHCB COC(=O)[C@@H](c1ccc(N)cc1)c1ccc(Oc2ccc(N)cc2)cc1 96675756 IFHKTDMRNGMZDT-FQEVSTJZSA-N 348.402 3.948 10 40 EHCB CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C/NNc1ccccc1 100931038 ZBGXEBCIYPTCAE-LFIBNONCSA-N 326.787 3.563 10 40 EHCB CCOC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1cccc(F)c1 408587668 SZHDKSOTFSADGT-YBEGLDIGSA-N 331.387 3.544 10 40 EHCB Cc1ccc(/C=C2/C(=O)N(c3ccccc3F)C(=S)N=C2O)cc1 59135784 KIIAKDFGZYEUKX-JLHYYAGUSA-N 340.379 3.806 10 40 EHCB Cc1cccc(N2C[C@@](O)(c3cccs3)[N+]3=C2SCCC3)c1C 3912330 GXLZZTUVWOPANS-GOSISDBHSA-N 345.513 3.536 10 40 EHCB COC(=O)c1ccc([C@H]2Nc3ccc(C(=O)O)cc3[C@H]3C=CC[C@H]32)cc1 4140418 QNNQRBONDFMTCC-FRQCXROJSA-N 349.386 3.998 10 40 EHCB CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C\NNc1cccc(C)c1 4413326 NZCJDRKHXAYHNA-UNOMPAQXSA-N 334.423 3.835 10 40 EHCB Cc1ccccc1N1C(=O)S[C@H](CC(=O)Nc2ccccc2)C1=O 12136908 XAUVMNYABBCNEM-OAHLLOKOSA-N 340.404 3.592 10 40 EHCB Oc1c([C@@H](Nc2nccs2)c2ccncc2)ccc2cccnc12 1463208 BFHNGSFZCJKEEE-HNNXBMFYSA-N 334.404 3.993 10 40 EHCB CN(C)c1ccc(CNC(=O)CCc2ncc(-c3ccccc3)o2)cc1 12542251 DOKVCPPYGIWUEQ-UHFFFAOYSA-N 349.434 3.657 10 40 EHCB COc1cccc(NC(=S)NCCCN(C)c2ccccc2)c1 7558643 UXRHWIKSIUNMEH-UHFFFAOYSA-N 329.469 3.508 10 40 EHCB CCCc1nc2sc(C(=O)OCC)c(N)c2c2c1COC(C)(C)C2 507163 KDDFXMFYJJDRGC-UHFFFAOYSA-N 348.468 3.859 10 40 EHCB CCOc1ccc(/C=C2\SC(N3CCCCC3)=NC2=O)cc1OC 13547659 IHHOJQQMPVARNY-VBKFSLOCSA-N 346.452 3.550 10 40 EHCB COC(=O)c1cc(C)n(-c2ccc(F)cc2Br)c1C 223707998 PAGYMIUGDWKXJH-UHFFFAOYSA-N 326.165 3.782 10 40 EHCB Cc1ccc(Cl)cc1NC(=O)[C@]12CC[C@@](C)(C(=O)C1=O)C2(C)C 100868471 YRMORVHTSHLNBQ-ROUUACIJSA-N 333.815 3.551 10 40 EHCB CCN(CC)CCCN1C(=O)/C(=C/c2cccs2)SC1=S 2367091 URDWHIJLRBMPIL-QBFSEMIESA-N 340.539 3.681 10 40 EHCB COc1cccc2c(O)c([C@H](c3ccccc3)N3CCOCC3)ccc12 20650802 OHQSJCRORBNGOJ-NRFANRHFSA-N 349.430 3.976 10 40 EHCB Cc1ccc(C(=O)C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c(Cl)c1 8369811 LKFVJLWZPFHYKY-UHFFFAOYSA-N 348.698 3.530 10 40 EHCB O=C(NCc1ccc(N2CCCC2)cc1)c1ccc2ccccc2n1 32914718 JWHYSLGRRMUIEH-UHFFFAOYSA-N 331.419 3.765 10 40 EHCB CC1=NN(c2ccc(C)cc2)C(=O)/C1=C/Nc1cccc([N+](=O)[O-])c1 95471589 AXPCAVDNLSZCCY-GZTJUZNOSA-N 336.351 3.622 10 40 EHCB C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Cc1cccc2ccccc12 96011692 KELBPVFMKCZYEU-CQSZACIVSA-N 335.403 3.541 10 40 EHCB COc1ccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1O 97990664 SOGOFYZNYGQGLT-XNTDXEJSSA-N 343.429 3.807 10 40 EHCB COC(=O)C1=C(C)N(C2CCCC2)C(=O)/C1=C\c1cccc(Cl)c1 563172 XHJFGDAZPYQKEY-WJDWOHSUSA-N 345.826 3.955 10 40 EHCB Fc1ccc(NC(=S)NCCCN2CCc3ccccc32)cc1 225559416 HPQBVNGUGGQLHM-UHFFFAOYSA-N 329.444 3.565 10 40 EHCB Cc1cccc(N/C=C2\SC(=S)N(Cc3ccco3)C2=O)c1 618254472 CDQPMGQCXWPVAQ-ZROIWOOFSA-N 330.434 3.902 10 40 EHCB Cc1cc(CN2CCOCC2)c(C)n1-c1cccc(C(F)(F)F)c1 20528638 IPTKKFPKSJSSRB-UHFFFAOYSA-N 338.373 3.945 10 40 EHCB CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C\NNc1ccccc1 16694217 ZBGXEBCIYPTCAE-WJDWOHSUSA-N 326.787 3.563 10 40 EHCB O=C1NC(=S)/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)S1 13786858 TYYMHTXGYATKRM-GHXNOFRVSA-N 332.362 3.980 10 40 EHCB Cc1cc(/C=C2/NC(=O)N(C)C2=O)c(C)n1-c1cccc2ccccc12 409190728 QFKWZBKPLZYGEE-LDADJPATSA-N 345.402 3.770 10 40 EHCB CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@](O)(CN=[N+]=[N-])c1ccccc1 72207993 ZFOYMOMZVZPVPX-RHSMWYFYSA-N 332.404 3.584 10 40 EHCB COc1ccc(/C=C2/C=C(c3ccccc3)OC2=O)cc1OC(C)=O 12364589 QVTUTXKZXGMXQW-YBEGLDIGSA-N 336.343 3.602 10 40 EHCB CCN1C(=O)S/C(=C/c2ccc(N(CC)CC)cc2OC)C1=O 409071312 QMEOCUQFZZZSBA-XNTDXEJSSA-N 334.441 3.598 10 40 EHCB Cc1ccc(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)o1 409328224 QDMDUIKKEVYQBC-VGOFMYFVSA-N 345.401 3.723 10 40 EHCB CC(=O)Nc1ccc(N2N=C(C)[C@@H](/N=N/c3ccccc3)C2=O)cc1 101504066 CWPUTESRMBVLGF-SGRLSNSRSA-N 335.367 3.520 10 40 EHCB CN(C)c1ccc([C@H]2NC(=O)c3c(sc4c3CCCC4)N2)cc1 2474186 DNHHQXPRORSIHK-INIZCTEOSA-N 327.453 3.547 10 40 EHCB biogenic CCCCCC1=NN2C(=N)/C(=C/c3cccs3)C(=O)N=C2S1 6397092 XZTCEWBDKDLSED-YBIGJVFXSA-N 332.454 3.948 10 40 EHCB CC1=CC(C)(C)N(C)c2cc(C)c(/C=C3/SC(=O)NC3=O)cc21 208454527 BTYHRZFFQUJRJP-OVCLIPMQSA-N 328.437 3.951 10 40 EHCB COc1ccc(C[C@H]2SC(=S)N(Cc3ccco3)C2=O)cc1C 8336399 DGNQOANCKYAYQS-OAHLLOKOSA-N 347.461 3.568 10 40 EHCB Cc1cc(C=O)c(C)n1-c1ccccc1I 8733455 CYVGHJMHYPPVML-UHFFFAOYSA-N 325.149 3.511 10 40 EHCB CC1=NN(c2ccccc2)C(=O)/C1=C\c1c[nH]nc1-c1ccccc1 12412825 UOXSHILWWIJSKZ-PDGQHHTCSA-N 328.375 3.883 10 40 EHCB COC(=O)C1=C(C)N(C2CCCCC2)C(=O)/C1=C\c1ccc(F)cc1 277513 UFVYDXFVMBQWQD-ATVHPVEESA-N 343.398 3.831 10 40 EHCB Cc1cc(C(=O)CSc2nnc(N)s2)c(C)n1-c1ccccc1 3509849 GMJPRCQYWLFEKJ-UHFFFAOYSA-N 344.465 3.503 10 40 EHCB CN(C)c1ccc(CNC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc1 7910086 GSGHNKKYSKRMNC-UHFFFAOYSA-N 346.858 3.880 10 40 EHCB CCn1cnc2cc(NCc3cc(OC)c(OC)c(OC)c3)ccc21 423360 QSVVEFDJGZAUHM-UHFFFAOYSA-N 341.411 3.694 10 40 EHCB COC(=O)[C@H]1Cc2ccccc2CN1Cc1c(O)ccc2ccccc12 35526375 CAEYYAXRMOWHKY-HXUWFJFHSA-N 347.414 3.645 10 40 EHCB COc1ccc2nc(C)c(C(=O)NCc3ccc(N(C)C)cc3)cc2c1 28669524 SBAWOVNGOPFHLI-UHFFFAOYSA-N 349.434 3.548 10 40 EHCB O=S(=O)(O)c1ccc2c(/N=N/c3ccc(O)cc3)c(O)ccc2c1 3844582 YIDJBBMDDSKOJJ-ISLYRVAYSA-N 344.348 3.913 10 40 EHCB CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)Nc1ccccc1 112111953 QNOGAGCVYZOTIA-ATVHPVEESA-N 336.351 3.703 10 40 EHCB Cc1cccc(N2C(=O)N=C(O)/C(=C/C=C/Nc3ccccc3)C2=O)c1 6898279 YQPYPPCSHBFUPP-JOOVPGNMSA-N 347.374 3.970 10 40 EHCB O=C1N=C(Nc2ccccc2)S/C1=C\c1cnn(-c2ccccc2)c1 7318094 IXPYXKKEVZJJCV-BOPFTXTBSA-N 346.415 3.955 10 40 EHCB O=C1N=C(O)/C(=C\C=C\Nc2ccccc2)C(=O)N1c1ccccc1 8974095 PWHCUBSAHHFKLU-GLKBESIRSA-N 333.347 3.662 10 40 EHCB CC[C@@H](C)N1C(=O)/C(=C/Nc2ccc(C(C)C)cc2)C(=O)N=C1S 103126164 ZPLFBQVTNPVFLV-JXCQQFQQSA-N 345.468 3.559 10 40 EHCB COc1ccc2ccc(O)c(CN3CCN(c4ccccc4)CC3)c2c1 22384856 ONSSVDAUOPJQLJ-UHFFFAOYSA-N 348.446 3.876 10 40 EHCB Nc1ccc(Oc2ccc3c(c2)C(=O)N(c2ccc(O)cc2)C3=O)cc1 63775 QIMAWUBWKHJTMB-UHFFFAOYSA-N 346.342 3.567 10 40 EHCB Cc1ccc(/C=C2\SC(=S)N([C@H](CC(C)C)C(=O)O)C2=O)cc1 5371177 BIBPCNRRQKYNBO-CKXDQPNJSA-N 349.477 3.696 10 40 EHCB O=C(c1ccccc1)c1ccccc1NS(=O)(=O)c1cccs1 13490624 YIINLYNPNAQGKL-UHFFFAOYSA-N 343.429 3.780 10 40 EHCB COc1ccccc1[C@@H](C)NCc1ccc(N2CCOCC2)c(F)c1 66970187 YIABXQJALPUILN-OAHLLOKOSA-N 344.430 3.522 10 40 EHCB Cc1ccc(C)n1-c1ccsc1C(=O)Nc1ccc(C(N)=O)cc1 54354383 QVDYMMVQSLXDTE-UHFFFAOYSA-N 339.420 3.507 10 40 EHCB COc1ccc(N(C)CCNC(=S)Nc2ccc(C)cc2C)cc1 225797236 MHGBJPBELVYUPI-UHFFFAOYSA-N 343.496 3.735 10 40 EHCB C[C@@H](NC(=S)Nc1cccnc1)c1ccc(N2CCCC2)cc1 225697106 HZFDXVKBINBONZ-CQSZACIVSA-N 326.469 3.729 10 40 EHCB Cc1nn(-c2ccccc2)c(C)c1CNCc1ccc(N(C)C)cc1 12533193 DXDCWYSUISRDOQ-UHFFFAOYSA-N 334.467 3.845 10 40 EHCB COc1ccc(OC)c(/C=C2/SC(=S)N(C(C)(C)C)C2=O)c1 35039029 SAUQZBCNQLMODV-UKTHLTGXSA-N 337.466 3.704 10 40 EHCB CN(C)c1ccc(CNC(=O)CCc2ccc(-c3ccccc3)[nH]2)cc1 40156733 SCANUHVKBVDQKG-UHFFFAOYSA-N 347.462 3.997 10 40 EHCB CN(Cc1cc([N+](=O)[O-])ccc1O)C(=O)Oc1cccc(Cl)c1 35618491 YUFHHDBPOCSGIM-UHFFFAOYSA-N 336.731 3.585 10 40 EHCB biogenic Cc1ccccc1N1C(=O)/C(=C\C=C\c2ccco2)C(O)=NC1=S 33324234 FWZDOGWMDZWIAL-DBBRDBGQSA-N 338.388 3.816 10 40 EHCB COc1ccc(N/C(C)=C2\C(=O)N(c3ccc(F)cc3)N=C2C)cc1 112112211 FPXCXZGUWUMBLE-PDGQHHTCSA-N 339.370 3.943 10 40 EHCB CCCCN/C(C)=C1\C(=O)N(c2ccc(OC)cc2)N=C1CCC 17067549 SBUKPMOEMYEXNP-JXAWBTAJSA-N 329.444 3.862 10 40 EHCB CN1C(=O)/C(=C/C=C/c2ccc(Br)cc2)SC1=S 975342 JBJVRZXZDBYWNX-ICKRUQPGSA-N 340.267 3.836 10 40 EHCB C[C@@H]1COCCN1CC(=O)Nc1ccc(/N=N/c2ccccc2)cc1 26451000 KRXUNBPMZUCCAX-UCMDFWOYSA-N 338.411 3.761 10 40 EHCB Oc1cc2c(cc1CN1CCN(C/C=C/c3ccccc3)CC1)CCC2 22932820 YWDJMCBGWCTAFI-VMPITWQZSA-N 348.490 3.712 10 40 EHCB COc1ccc(CCN/C(C)=C2\C(=O)N(c3ccccc3)N=C2C)cc1 103916352 HJYRTTYUDYRBKT-HKWRFOASSA-N 349.434 3.524 10 40 EHCB COc1ccc(N2CCC(NC(=O)C3=C(Cl)CCCC3)CC2)cc1 71888069 KGZIDESUZXMWTN-UHFFFAOYSA-N 348.874 3.847 10 40 EHCB CCCCCC1=NN2C(=N)/C(=C/c3ccc(O)cc3)C(=O)N=C2S1 41083180 LHBVDDDFOFWTSC-JADYNCEHSA-N 342.424 3.592 10 40 EHCB Cc1ccc(N2C(=O)/C(=C/c3ccc(C)o3)C(O)=NC2=S)cc1 441034 QQSPXEAXHMUTNX-NTEUORMPSA-N 326.377 3.568 10 40 EHCB CCN(CC)c1ccc(CNCCc2ccc(OC)c(OC)c2)cc1 16678528 ZXHBVPIDHXNCFS-UHFFFAOYSA-N 342.483 3.882 10 40 EHCB O=C1/C(=C/c2nc3ccccc3[nH]2)SC(=S)N1C1CCCC1 2347194 ZKGQKIVZQUZJSL-LCYFTJDESA-N 329.450 3.707 10 40 EHCB Cc1ncsc1/C=C1/CCn2c1nc1ccc(Cl)cc1c2=O 95962031 NUZWAXOPRFTLSU-POHAHGRESA-N 329.812 3.759 10 40 EHCB Cc1cc(/C=C2\SC(=O)N(C)C2=O)c(C)n1-c1cccc(F)c1 33417556 DKIKRKKVOFFACD-NVNXTCNLSA-N 330.384 3.899 10 40 EHCB CCOc1ccc(S(=O)(=O)Nc2ccc(O)cc2)c2ccccc12 3141101 RRMJEWGASCVKRE-UHFFFAOYSA-N 343.404 3.745 10 40 EHCB CCc1cccc(CC)c1NC(=S)NNc1nc(C)cc(C)n1 3258758 GUAZAPIOPGMQMO-UHFFFAOYSA-N 329.473 3.532 10 40 EHCB CC[C@@H](C(=O)O)N1C(=O)/C(=C/C(C)=C/c2ccccc2)SC1=S 5024824 KJENGCMUGBOVLB-YEKWATDZSA-N 347.461 3.697 10 40 EHCB CCC(=O)N1N=C(c2cccc(C)c2)C[C@@H]1c1cccc(OC)c1O 95116655 BTOKAXRDDRYXJY-QGZVFWFLSA-N 338.407 3.797 10 40 EHCB O=C1NC(=S)/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)S1 1447460 TYYMHTXGYATKRM-KPKJPENVSA-N 332.362 3.980 10 40 EHCB COc1ccccc1-c1c(C)oc2c(CN(C)C)c(O)ccc2c1=O 20412114 CVCZPHJLADEJMU-UHFFFAOYSA-N 339.391 3.544 10 40 EHCB biogenic O=C(O)c1ccc([C@@H]2Nc3ccc(C(=O)O)cc3[C@@H]3C=CC[C@@H]32)cc1 105833242 NOOGFRZLFMBLBG-VKJFTORMSA-N 335.359 3.910 10 40 EHCB Cc1cccc(/C=C2\SC(=S)N(c3cccc(F)c3)C2=O)n1 409328470 VWFFLMIJWSNMCQ-ZROIWOOFSA-N 330.409 3.935 10 40 EHCB CCN1C(=O)/C(=C/c2ccc(N(C)C)cc2Cl)SC1=S 988771 WUHWXGWTLMWBDW-GHXNOFRVSA-N 326.874 3.627 10 40 EHCB O=[N+]([O-])c1cc(CN2CC[C@H](c3ccccc3)C2)c(O)c2ncccc12 310124 NCXLPGIFFKJJHL-HNNXBMFYSA-N 349.390 3.838 10 40 EHCB CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)NC(C)(C)C 100422650 PRELEAPMNHLJTD-UVTDQMKNSA-N 328.441 3.681 10 40 EHCB CCCOc1ccccc1/C=C1/SC(N2CCCCC2)=NC1=O 2298791 BNHDPYYOSDNRBF-DTQAZKPQSA-N 330.453 3.932 10 40 EHCB CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1ccc2[nH]cnc2c1 10962416 NOZMARFLBLNKHZ-UHFFFAOYSA-N 348.450 3.825 10 40 EHCB COc1ccc(NC2=NC(=O)/C(=C\c3ccccc3F)S2)cc1 16440251 GAYYCFYNDANGQK-XNTDXEJSSA-N 328.368 3.917 10 40 EHCB C[C@@H]1[C@H](c2ccccc2)O[C@H](c2ccc(N3CCOCC3)cc2)N1C 78547130 GPVLWMWZMUZIJB-MAODMQOUSA-N 338.451 3.614 10 40 EHCB COc1ccc([C@H]2CC(c3ccc(C)cc3)=NN2C(=O)CN=[N+]=[N-])cc1 102829356 MQNIULBYMUYJDD-GOSISDBHSA-N 349.394 3.992 10 40 EHCB COC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1cccc(C)c1 12632153 FXRCPTFPPDYYEP-AQTBWJFISA-N 333.387 3.872 10 40 EHCB Oc1cccc2ccc(/C=C/c3ccc(N4CCOCC4)cc3)nc12 7586324 SEJYQJMVOFUTTH-XBXARRHUSA-N 332.403 3.947 10 40 EHCB Cc1cc2c(cc1/C=C1/NC(=O)NC1=O)[C@@H](C)CC(C)(C)N2C(C)C 223599319 HGRBXTFMCVRPTK-WFSQQTBHSA-N 341.455 3.676 10 40 EHCB CCOC1=NN(c2ccccc2)C(=O)/C1=C\Nc1ccc(F)cc1F 100249892 KYSDHZLUMHRSIQ-KAMYIIQDSA-N 343.333 3.657 10 40 EHCB Cc1cc(NC(=O)[C@@H](Sc2nccs2)c2ccccc2)no1 52914185 LDQZGBWXNULNCM-ZDUSSCGKSA-N 331.422 3.912 10 40 EHCB Cc1ccc(C)c(NC2=NC(=O)/C(=C\c3ccc(O)c(O)c3)S2)c1 35644366 YDRALUDFQUIYRC-CXUHLZMHSA-N 340.404 3.797 10 40 EHCB CCN(CCNC(=S)Nc1cccc(F)c1)c1ccc(C)cc1 225793233 KVSHJJPBSXFXIW-UHFFFAOYSA-N 331.460 3.947 10 40 EHCB CN(C)c1ccc(/C=C2/SC(=O)N(Cc3ccccc3)C2=O)cc1 975749 WNSQESNFRTWKIT-SFQUDFHCSA-N 338.432 3.989 10 40 EHCB COC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1ccccc1 408787572 BYUUQEGIVQDMST-AQTBWJFISA-N 333.387 3.872 10 40 EHCB Cc1cccc(N2C[C@](O)(c3cccs3)[N+]3=C2SCCC3)c1C 3912331 GXLZZTUVWOPANS-SFHVURJKSA-N 345.513 3.536 10 40 EHCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(C(C)C)cc3)C2=O)cc1 179659 RMQVVMUOMBCJLD-LDADJPATSA-N 348.402 3.785 10 40 EHCB CCCCN1C(=O)/C(=C\c2ccccc2Cl)C(C(=O)OC)=C1C 409205033 NJJLNLRGURVJTM-KAMYIIQDSA-N 333.815 3.813 10 40 EHCB CCN(CC)c1ccc(CNC(=O)COc2ccc(C)cc2)cc1 225839422 CZZQBCLWFXOXTR-UHFFFAOYSA-N 326.440 3.536 10 40 EHCB Cc1cc(C(=O)COC(=O)c2ccco2)c(C)n1-c1ccc(F)cc1 3509759 SHVLHUKMVNMHMI-UHFFFAOYSA-N 341.338 3.866 10 40 EHCB CCc1ccc(N2C(=O)/C(=C/c3cccn3C)SC2=S)cc1 6709096 PPYHSFIGOUDLCW-PTNGSMBKSA-N 328.462 3.993 10 40 EHCB COc1ccc(CN(C(=O)/C=C/c2cccnc2)c2ccncc2)cc1 96425293 CUKUCVQTDYRTBB-RMKNXTFCSA-N 345.402 3.732 10 40 EHCB Oc1c([C@H](Nc2ccccn2)c2cccnc2)ccc2cccnc12 13062710 GQODCZOMDGLLAB-GOSISDBHSA-N 328.375 3.932 10 40 EHCB CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)Nc1cccnc1 100422666 STLHMXWJXHPOLK-WJDWOHSUSA-N 349.419 3.800 10 40 EHCB Oc1c([C@H](Nc2nccs2)c2cccnc2)ccc2cccnc12 1106304 GRQALDDEXYEUFH-OAHLLOKOSA-N 334.404 3.993 10 40 EHCB CC1=NN(c2ccc(C)cc2C)C(=O)/C1=C\Nc1ccccc1C(=O)O 16284827 SGKJANOENHPORO-WJDWOHSUSA-N 349.390 3.720 10 40 EHCB S=C(NCc1ccc(N2CCCC2)cc1)Nc1ccc(Cl)cn1 223949562 VMZFNDAVWFJVRA-UHFFFAOYSA-N 346.887 3.822 10 40 EHCB CC[C@@H](C)Oc1ccc(/C=C2/SC(=S)N(C)C2=O)cc1OC 409350617 YOASJOOKIDTDPR-GMROUXNLSA-N 337.466 3.704 10 40 EHCB Cc1ccc(/C=C2\SC(Nc3cc(C(=O)O)ccc3C)=NC2=O)o1 35043113 CELLWBAEMMMPPR-ZSOIEALJSA-N 342.376 3.677 10 40 EHCB Oc1ccc2c(oc3cc4c(O)nn(C5CCCC5)c4nc32)c1O 95477179 NLEYWWPEFIVCFP-UHFFFAOYSA-N 325.324 3.563 10 40 EHCB c1ccc2oc(NCc3ccc(N4CCSCC4)cc3)nc2c1 52428604 VBCZGAKCIFWXAC-UHFFFAOYSA-N 325.437 3.993 10 40 EHCB O=C1N=C(Nc2cccc(C(=O)O)c2)S/C1=C\C=C\c1ccco1 20227135 YXJUFQVVYIIFIH-NTOUICHMSA-N 340.360 3.616 10 40 EHCB O=C(c1ccccc1)N1CCN(Cc2c(O)ccc3ccccc23)CC1 33034021 PRJIVAPDQYSLPG-UHFFFAOYSA-N 346.430 3.503 10 40 EHCB CCOc1ccc(Cl)cc1/C=C1\SC(=S)N(CC)C1=O 1219389 NTAYAHYIYZZYEP-WQLSENKSSA-N 327.858 3.960 10 40 EHCB COc1ccc(N2CCN(Cc3ncc(-c4ccccc4)o3)CC2)cc1 7489476 YAUQKPYDLLXVFV-UHFFFAOYSA-N 349.434 3.672 10 40 EHCB C[C@@H]1CN(Cc2c(O)ccc3cc(Br)ccc23)CCO1 13007988 HIHAHAGJWODOQN-LLVKDONJSA-N 336.229 3.529 10 40 EHCB CCOc1ccc(/C=C2/SC(N3CCC(C)CC3)=NC2=O)cc1 66425 VBNYWXIOWVJZMD-FOWTUZBSSA-N 330.453 3.788 10 40 EHCB O=C1NC(=S)S/C1=C/c1ccc(OCc2ccc(F)cc2)cc1 978905 IKXPGAWCZJDQMZ-OQLLNIDSSA-N 345.420 3.894 10 40 EHCB CCCN(Cc1ccccc1O)C(=O)c1[nH]c2c(c1C)C(=O)CCC2 69518853 UUDWVWLFUWGZRV-UHFFFAOYSA-N 340.423 3.600 10 40 EHCB COC(=O)C1=C(C)N(Cc2ccc(C)cc2)C(=O)/C1=C\c1ccccc1 59959344 PZSVUAMYYKWSKO-UYRXBGFRSA-N 347.414 3.868 10 40 EHCB CCOc1cccc(CN[C@@H]2CCC[C@H]2Cc2cc(C)no2)c1O 12366536 UZOCDWCIAZMTKX-WMLDXEAASA-N 330.428 3.588 10 40 EHCB CCOc1cccc(/C=C2\SC(=S)N(c3cccnc3)C2=O)c1 40139651 AJUBKRXHJVLKAZ-GDNBJRDFSA-N 342.445 3.886 10 40 EHCB CCOc1cc(-n2c(C)ccc2C)c(OCC)cc1N1CCOCC1 128595 LTEIUGDHTZMVCU-UHFFFAOYSA-N 344.455 3.728 10 40 EHCB COC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1ccco1 4703011 LVFPDMOONMSLBO-BOPFTXTBSA-N 337.375 3.774 10 40 EHCB CC(C)(C)OC(=O)c1c2c(n3ccccc13)C(=O)c1ccccc1C2=O 11691457 KVAYLSZQTCOFIR-UHFFFAOYSA-N 347.370 3.670 10 40 EHCB C#CCOc1ccc(/C=C2\SC(Nc3ccccc3)=NC2=O)cc1 107779635 RTYSBWQCHQFHJW-LGMDPLHJSA-N 334.400 3.781 10 40 EHCB CCc1nc2ccccc2c(=O)n1N=[N+](CC)Nc1ccc(C)cc1 408720708 XGRUZUQRNFEEPC-UHFFFAOYSA-N 336.419 3.542 10 40 EHCB O=C(N1N=C(c2ccccc2)C[C@H]1c1ccccc1O)C(F)(F)F 6590547 VBSVFCVUBVAXMH-AWEZNQCLSA-N 334.297 3.632 10 40 EHCB CC1=NN(c2ccccc2)C(=O)[C@@H]1/N=N\c1cc(-c2ccccc2)n[nH]1 100552291 YTIFJWOFZHKNJD-LINNUKDLSA-N 344.378 3.952 10 40 EHCB CCCC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)NCc1ccco1 103918031 DUKGRDMPVRQVKA-AQTBWJFISA-N 341.386 3.985 10 40 EHCB CCc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc1 408898381 LWIUBODMDKPPDS-LDADJPATSA-N 348.402 3.532 10 40 EHCB Cc1cc(CN2CC[C@@](O)(c3ccccc3)C2)ccc1N1CCCC1 12241308 MHRJBOSTUWYAQF-QFIPXVFZSA-N 336.479 3.689 10 40 EHCB CC1=NN(C(=O)Cc2ccccc2)C(=O)/C1=C\C=C\c1ccccc1 17860693 ZCLSHQBPZSFVRO-ILPOUQNUSA-N 330.387 3.614 10 40 EHCB COc1cc(CN2CCCCC2)c(O)c(CN2CCCCC2)c1C 1698423 BTEHGRVSKDQJME-UHFFFAOYSA-N 332.488 3.681 10 40 EHCB O=C1N=C(N2CCCCC2)S/C1=C\c1cn[nH]c1-c1ccccc1 1268403 ZDXUFFRKWSIPHQ-PTNGSMBKSA-N 338.436 3.533 10 40 EHCB Cc1ccc(C)n1N1C(=O)/C(=C\c2ccc(F)cc2)SC1=S 409205146 MRRFKTFNQMYYBY-NTEUORMPSA-N 332.425 3.781 10 40 EHCB O=C1OC2(CCCC2)OC(=O)C1=Cc1cccc(Cl)c1Cl 59513117 QWPIYGXTBFETEE-UHFFFAOYSA-N 327.163 3.747 10 40 EHCB Cc1ccc(C2=NN[C@@H](c3cc(Br)ccc3O)C2)cc1 568192 WWUJLQOIOLIXCP-OAHLLOKOSA-N 331.213 3.902 10 40 EHCB Cc1cc(/C=C2\SC(=S)N(C)C2=O)c(C)n1-c1ccccc1O 13554272 CJDFQIXZPZCUIQ-DHDCSXOGSA-N 344.461 3.631 10 40 EHCB O=C1N=C(O)/C(=C/C=C/c2ccco2)C(=O)N1c1cccc(Cl)c1 17028999 BMCNYFPWHQGLFV-NTOUICHMSA-N 342.738 3.996 10 40 EHCB Cc1ccc2nc([C@H]3CCN(Cc4ccc(N(C)C)cc4)C3)[nH]c2c1 35446552 VBFNHFCZDZPFPB-KRWDZBQOSA-N 334.467 3.927 10 40 EHCB biogenic,in-vitro Cc1ccc(S[C@H](C)C(=O)NCc2ccc(N(C)C)cc2)cc1 8172001 KQJMZLPNCSJYDG-OAHLLOKOSA-N 328.481 3.858 10 40 EHCB COc1cc(Cl)cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)c1O 408902445 NTRGEWWZEQIZJY-OQLLNIDSSA-N 342.782 3.860 10 40 EHCB CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C\N(C)c1ccc(O)cc1 33696545 VDBXAFYOJMDEPX-UNOMPAQXSA-N 335.407 3.752 10 40 EHCB COc1ccc(-n2c(C)cc(C(=O)C(F)(F)F)c2C)cc1OC 225326876 ZBNAZEVBRUVHLS-UHFFFAOYSA-N 327.302 3.856 10 40 EHCB Cc1ccccc1NC1=NC(=O)/C(=C\c2cccc([N+](=O)[O-])c2)S1 7165836 KOAYHYXHEAGQRK-XNTDXEJSSA-N 339.376 3.986 10 40 EHCB O=C(NCCCSc1nccs1)N1CCC[C@H]1c1ccc[nH]1 95413626 FVQQRUUYAXXNOT-ZDUSSCGKSA-N 336.486 3.500 10 40 EHCB Cc1ccc(C2=C[C@H](c3ccc(N(C)C)cc3)N3NN=NC3=N2)cc1 100572682 IGPQRWQMGLHBLQ-GOSISDBHSA-N 332.411 3.700 10 40 EHCB aggregator Cc1ccc(-n2c(C)cc3c2CC[C@@H](C(=O)C(F)(F)F)C3=O)cc1 3268647 HVIQSCXRCNULEX-CYBMUJFWSA-N 335.325 3.971 10 40 EHCB CCCCN1C(=O)/C(=C\c2ccc(OCC)cc2)C(C(=O)OC)=C1C 409204108 BHVRZUJLDAUKOV-LGMDPLHJSA-N 343.423 3.558 10 40 EHCB COc1ccc(/C=C2/SC(=S)N(C(C)(C)C)C2=O)c(OC)c1 35038996 CXNXGFGPRZYIBA-MDWZMJQESA-N 337.466 3.704 10 40 EHCB Cc1cc(O)c(CN(C)CC(=O)Nc2ccccc2Cl)cc1C 42911219 LMHGQUPEEQTAAS-UHFFFAOYSA-N 332.831 3.733 10 40 EHCB CN(C)c1ccc(C2=CCN(C(=O)c3cccc(F)c3F)C2)cc1 95456523 IPENYSBRJFNSRX-UHFFFAOYSA-N 328.362 3.570 10 40 EHCB CCCC1=NN(c2ccc(F)cc2)C(=O)/C1=C/NCc1ccco1 100111170 HTYRBWMXTDBVAK-FOWTUZBSSA-N 327.359 3.595 10 40 EHCB Cc1ccccc1/N=N/c1c(N)nn2c(-c3ccccc3)cc(=O)[nH]c12 5728683 JUOUZCXNKPQBHS-GHVJWSGMSA-N 344.378 3.996 10 40 EHCB O=C1/C(=C\c2ccco2)SC(=S)N1c1ccc([N+](=O)[O-])cc1 4838681 HCLXDURHBGFPJF-XYOKQWHBSA-N 332.362 3.594 10 40 EHCB COC(=O)c1ccc2c(ccc(/C=C/c3ccc(N(C)C)cc3)[n+]2C)c1 5173902 RFWHMTOWSDLYTI-UHFFFAOYSA-N 347.438 3.687 10 40 EHCB COc1ccc(-c2c(C)oc3c(CN(C)C)c(O)ccc3c2=O)cc1 20411616 XMPBIJOGTMRQAF-UHFFFAOYSA-N 339.391 3.544 10 40 EHCB biogenic Cc1cc(C(=O)NC2CCCC2)c(C)n1-c1ccc2c(c1)OCCO2 28273874 MUJKGYZGFNPMNT-UHFFFAOYSA-N 340.423 3.538 10 40 EHCB COC(=O)C1=C(C)N(c2cccc(C)c2)C(=O)/C1=C\c1ccccc1O 32109297 KVFBVMNNAMPCKF-ATVHPVEESA-N 349.386 3.578 10 40 EHCB CCCOc1ccc(/C=C2\SC(=S)N(C3CC3)C2=O)cc1OC 36613145 NTLJIJBXFGAGJX-GDNBJRDFSA-N 349.477 3.848 10 40 EHCB O=S(=O)(Nc1nc(-c2ccccc2)cs1)c1ccc(F)cc1 565111 LXBFWMOXEHRLKL-UHFFFAOYSA-N 334.397 3.750 10 40 EHCB Cc1cc(C(=O)CNCc2ccco2)c(C)n1-c1ccc(F)cc1 61711065 LLEXZMRWPGTEDK-UHFFFAOYSA-N 326.371 3.799 10 40 EHCB COC(=O)C1=C(C)N(C(C)C)C(=O)/C1=C\c1ccc(C(C)C)cc1 59959390 ORUNFGKYTJZREG-BOPFTXTBSA-N 327.424 3.891 10 40 EHCB Cc1cc2oc(=O)c3c(c2c(O)c1CN1CCC(C)CC1)CCCC3 4540344 MOOOOAKOGGRDCN-UHFFFAOYSA-N 341.451 3.918 10 40 EHCB COCCN1C(=O)/C(=C/c2ccc(C(C)(C)C)cc2)SC1=S 9189385 OJRQYQHHMVWUBC-KAMYIIQDSA-N 335.494 3.832 10 40 EHCB CCN(CC)c1ccc(CNC(=O)COc2ccccc2Cl)cc1 225598766 AHFDIFXTHCGFJU-UHFFFAOYSA-N 346.858 3.881 10 40 EHCB CC1=NN(c2ccccc2)C(=O)/C1=C\n1c(=S)[nH]c2ccccc21 17824497 WHKAAAXPODTOJI-KAMYIIQDSA-N 334.404 3.962 10 40 EHCB C[C@@H]1[C@@H](c2ccccc2)O[C@H](c2ccc(N3CCOCC3)cc2)N1C 78547135 GPVLWMWZMUZIJB-TYCQWZJGSA-N 338.451 3.614 10 40 EHCB O=C1N=C(Nc2ccccc2Cl)S/C1=C/c1ccc(O)c(O)c1 101151223 RREXYFWFKWJJKQ-RIYZIHGNSA-N 346.795 3.834 10 40 EHCB CCOc1cc(/C=C2\SC(=S)NC2=O)ccc1O[C@H](C)CC 409348312 SAZNGKDBEXSWRT-AHEVQNHNSA-N 337.466 3.751 10 40 EHCB CC(C)c1c2oc3c(O)c(O)ccc3c2nc2c1c(=O)[nH]n2C(C)C 85876571 LXVQMTVRENZXOX-UHFFFAOYSA-N 341.367 3.740 10 40 EHCB biogenic CCN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S 1188261 NXPOAXWIFPXKAK-YFHOEESVSA-N 328.256 3.670 10 40 EHCB Cc1cc(N[C@@H](c2ccccn2)c2ccc3cccnc3c2O)no1 86531 UGIJXGPDGPQILA-GOSISDBHSA-N 332.363 3.833 10 40 EHCB C[C@H]1CCC[C@@H](C)N1Cc1c(O)ccc2c3c(c(=O)oc12)CCC3 122751 BXBZFKOKZVDMTA-BETUJISGSA-N 327.424 3.750 10 40 EHCB O=C1/C(=C\c2nc3ccccc3[nH]2)SC(=S)N1c1ccccc1 27533713 WNXZZCVHRASUHI-GXDHUFHOSA-N 337.429 3.969 10 40 EHCB CCc1ccc(NC(=S)NCCCN2CCc3ccccc32)cc1 225559327 BENWDMFVTRIOAH-UHFFFAOYSA-N 339.508 3.988 10 40 EHCB Cc1nnc(S/C(=C/c2ccc(N3CCCCC3)cc2)C(=O)O)o1 7365764 SMIAYDFAHYCIMF-RVDMUPIBSA-N 345.424 3.586 10 40 EHCB Cc1ccc(C)c(N2C[C@](O)(c3cccs3)[N+]3=C2SCCC3)c1 425727 SYPJKWPWYGKKBZ-SFHVURJKSA-N 345.513 3.536 10 40 EHCB O=C1c2ccccc2C(=O)c2c(NC(=O)[C@@H]3C[C@H]4CC[C@@H]3C4)cccc21 4155912 WKZCYYOAIIRMLF-OGHNNQOOSA-N 345.398 3.837 10 40 EHCB CN(Cc1ccc(N(C)C)cc1)C(=O)NCCc1ccc(Cl)cc1 17112567 AYNUKBOQYWTSGJ-UHFFFAOYSA-N 345.874 3.790 10 40 EHCB O=C1/C(=C/c2nc3ccccc3[nH]2)SC(=S)N1c1ccccc1 37868713 WNXZZCVHRASUHI-UVTDQMKNSA-N 337.429 3.969 10 40 EHCB Cc1cc(S(=O)(=O)Nc2ccc(O)cc2)c(Cl)cc1Cl 41105579 PZQLCEPRFSAGRF-UHFFFAOYSA-N 332.208 3.808 10 40 EHCB COc1cccc(/C=C2\SC(c3ccc(C)cc3)=NC2=O)c1O 31269 BCDMYTWXELVGAH-GDNBJRDFSA-N 325.389 3.770 10 40 EHCB O=S(=O)(Nc1nc(-c2ccc(F)cc2)cs1)c1ccccc1 4644972 VYIGGXADXOLNAD-UHFFFAOYSA-N 334.397 3.750 10 40 EHCB Cc1cc(C)cc(N/C=C2/SC(=S)N(C[C@@H]3CCCO3)C2=O)c1 5021800 BGOIUOZHNFOKTQ-AHSSXEFNSA-N 348.493 3.596 10 40 EHCB COC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(C(=O)O)cc1)N2 4450140 GJGGLGFZQPLXPH-GJYPPUQNSA-N 349.386 3.998 10 40 EHCB CC[C@@H](NC(=O)NCc1ccc(N(C)C)cc1C)c1c(C)noc1C 95441327 KCJOUQMOCUDRPJ-QGZVFWFLSA-N 344.459 3.616 10 40 EHCB Cc1cc2c(cc1C)N1C(=N)/C(=C\c3ccc(O)cc3)C(=O)N=C1S2 13540804 NZAACQBEUZGFHZ-WJNHLLBISA-N 349.415 3.878 10 40 EHCB CC(=O)Nc1ccc(N/C=C2/C(=O)N(c3ccc(C)cc3)N=C2C)cc1 5730569 SKQPOQLSLLROJI-XDHOZWIPSA-N 348.406 3.672 10 40 EHCB COc1ccc(N(CCC(N)=O)Cc2ccc(C(C)(C)C)cc2)cc1 12643162 VUGGFDUSBMLAML-UHFFFAOYSA-N 340.467 3.875 10 40 EHCB CC(C)CNc1c(O)c2c(c(O)c1Cl)C(=O)c1ccccc1C2=O 15085929 FBGBLJTUWHNMKT-UHFFFAOYSA-N 345.782 3.595 10 40 EHCB CCCN1C(=O)/C(=C/c2ccc3c(c2)CCCN3C)SC1=S 27023073 LOFUNYZNDVVFAT-PTNGSMBKSA-N 332.494 3.680 10 40 EHCB COc1ccc(N2CCC(NC(=O)Nc3ccccc3F)CC2)cc1 65594198 SLVPBIZFQRPUDK-UHFFFAOYSA-N 343.402 3.625 10 40 EHCB Cc1cc(/N=N/c2cc(S(=O)(=O)O)c(C)cc2C)c(N)cc1O 64746682 UUECJWRVDTUDCB-ISLYRVAYSA-N 335.385 3.562 10 40 EHCB in-vitro CCN(CC)S(=O)(=O)c1ccc(/N=N/c2c(O)cccc2O)cc1 103435539 JQKHGKOPKBBPHJ-ISLYRVAYSA-N 349.412 3.544 10 40 EHCB Cc1ccccc1N1C(=O)N=C(O)/C(=C\C=C\Nc2ccccc2)C1=O 8974490 CLXRCDAPFXURLT-JIHKRTNASA-N 347.374 3.970 10 40 EHCB CCN1/C(=C2\SC(=S)N(C)C2=O)Sc2ccc(Cl)cc21 4048194 WUJVQDZOXODOEV-ZRDIBKRKSA-N 342.898 3.931 10 40 EHCB Cc1ccc(/C=C2\C(=O)N=C(O)N(c3ccc(C(C)C)cc3)C2=O)o1 17056740 BLPAGSIBNRPHDG-MHWRWJLKSA-N 338.363 3.582 10 40 EHCB CCN1C(=O)/C(=C/c2ccc(OC(F)F)c(OC)c2)SC1=S 2631918 YDELTNHHKURKJP-XFFZJAGNSA-N 345.392 3.518 10 40 EHCB COc1ccc(CCC(=O)NCc2ccc(N3CCCC3)cc2)cc1 28046875 DFOOAYRBMUBMKN-UHFFFAOYSA-N 338.451 3.544 10 40 EHCB COc1cccc([C@H]2Nc3ccccc3C(=O)N2CC(C)C)c1O 9747637 QFBVLQAQHJNQGD-SFHVURJKSA-N 326.396 3.623 10 40 EHCB Cc1cc(Cl)c(Cl)cc1S(=O)(=O)Nc1ccc(O)cc1 41105578 BKLFHCZVMUQFGF-UHFFFAOYSA-N 332.208 3.808 10 40 EHCB Cc1cc(C(=O)OCc2nc(C(C)C)no2)c(C)n1-c1ccccc1 22750683 WJGHUAIVDVJAGN-UHFFFAOYSA-N 339.395 3.958 10 40 EHCB COc1cccc(/C=C2/SC(=S)N(Cc3ccco3)C2=O)c1 2328116 ZVEVLJTZRORWJQ-NTEUORMPSA-N 331.418 3.690 10 40 EHCB O[C@@]1(c2ccccc2)CN(c2ccc(Cl)cc2)C2=[N+]1CCCS2 2966009 RCQNJIHIUFNCDD-GOSISDBHSA-N 345.875 3.511 10 40 EHCB CCOC(=O)[C@H]1CCCN(Cc2cc(C)cc(C(C)(C)C)c2O)C1 58590873 ITPKBYIVRRRUPV-HNNXBMFYSA-N 333.472 3.773 10 40 EHCB Cc1cc(C)cc(CNCc2ccc(N3CCC(O)CC3)c(F)c2)c1 71836996 VUPJHBWGEZBDJO-UHFFFAOYSA-N 342.458 3.693 10 40 EHCB CCC(=O)N1N=C(c2cccc(C)c2)C[C@H]1c1cccc(OC)c1O 95116654 BTOKAXRDDRYXJY-KRWDZBQOSA-N 338.407 3.797 10 40 EHCB CCN(CCNC(=S)Nc1ccccc1F)c1ccc(C)cc1 225792967 CFRZUTVGOJAFHX-UHFFFAOYSA-N 331.460 3.947 10 40 EHCB Cc1cccc(CN2C(=O)N/C(=C/c3c(C)[nH]c4ccccc34)C2=O)c1 409240694 HNPSONWCNWUQGM-YBFXNURJSA-N 345.402 3.878 10 40 EHCB Cc1cc(C(F)(F)F)c2c(NCc3ccc(N(C)C)cc3)n[nH]c2n1 12221475 IHZRYJMYVQLBLD-UHFFFAOYSA-N 349.360 3.963 10 40 EHCB C[C@@H](CCc1ccccc1)NC(=O)N(C)Cc1ccc(N(C)C)cc1 17116307 FQHOJRGGRJZTQQ-KRWDZBQOSA-N 339.483 3.915 10 40 EHCB CCOc1cccc(NC(=S)NCCN(C)c2ccc(C)cc2)c1 225796136 XXLUFPMFRLPHCE-UHFFFAOYSA-N 343.496 3.817 10 40 EHCB Cc1c(Cl)cccc1NC(=O)[C@]12CC[C@@](C)(C(=O)C1=O)C2(C)C 100868450 COMNFOBKYUYLFR-ROUUACIJSA-N 333.815 3.551 10 40 EHCB Cc1ccc(-n2c(C)cc(/C=C/C(=O)NC[C@H]3CCCO3)c2C)cc1 25704975 YAQDRYHGMWKDID-OJLWIZQOSA-N 338.451 3.711 10 40 EHCB CC1=CC(C)(C)N(C(C)C)c2cc(C)c(/C=C3/NC(=O)NC3=O)cc21 223508522 FCWHKLSFPCGMJZ-CXUHLZMHSA-N 339.439 3.586 10 40 EHCB CC(C)Cc1nc(CN(Cc2ccco2)Cc2ccccc2O)no1 69737084 UXWTYWVPTDIRRL-UHFFFAOYSA-N 341.411 3.769 10 40 EHCB CCN1C(=O)/C(=C/c2cccn2-c2ccc(OC)cc2)SC1=S 409375129 FZHWZWQBZNLHEX-PTNGSMBKSA-N 344.461 3.707 10 40 EHCB CCOc1ccc(N2C(=O)/C(=C/c3ccccn3)SC2=S)cc1 37866350 LEXOGHWMHREIFB-PTNGSMBKSA-N 342.445 3.886 10 40 EHCB CCN(CC)CN1C(=O)C(=Cc2ccc(Cl)cc2)SC1=S 2049236289 GBJFVPWFKIWWCH-UHFFFAOYSA-N 340.901 3.841 10 40 EHCB COc1cccc(CNc2ccc(Br)cc2F)c1O 257137 DLRZFWLWUXYXON-UHFFFAOYSA-N 326.165 3.915 10 40 EHCB C[C@H]1Oc2ccccc2C=C1/C=C1\SC(Nc2cccnc2)=NC1=O 54361094 VFUOQVKNQAJQFK-HJPCULJESA-N 349.415 3.871 10 40 EHCB Nc1nn2c(-c3ccccc3)cc(O)nc2c1/N=N/c1ccc(O)cc1 18086370 NLSRKKJKTCDJPW-QURGRASLSA-N 346.350 3.805 10 40 EHCB COc1ccc(OCCNCc2ccc(N3CCCCC3)cc2)cc1 8395599 OTSIBUBEMKNHRO-UHFFFAOYSA-N 340.467 3.854 10 40 EHCB CC(C)c1ccc(N2C(=O)NC(=O)/C(=C\c3cccs3)C2=O)cc1 111040 COIAMQBDCKRMBY-XNTDXEJSSA-N 340.404 3.538 10 40 EHCB O=C1/C(=C\C=C/c2ccccc2)SC(=S)N1C[C@H]1CCCO1 13590963 IEVDSMZLFHKILP-ZOCCUFNJSA-N 331.462 3.623 10 40 EHCB Cc1nn(C)cc1/C=C1/SC(=S)N([C@H](C)c2ccccc2)C1=O 2787036 PXUFNLKJDSMICF-KMHUVPDISA-N 343.477 3.691 10 40 EHCB O=C(O)[C@@H]1[C@H]2CC=C[C@@H]2c2cc(Cl)cc3c2N1C[C@@H]1CC=C[C@H]31 4131723 XIFMNZHDPSPECA-SRLNJWDMSA-N 327.811 3.946 10 40 EHCB CSc1ccc(C[C@@H]2SC(=S)N(Cc3ccco3)C2=O)cc1 8169625 VLVOLUAFPUDVDY-AWEZNQCLSA-N 349.502 3.973 10 40 EHCB CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2cccs2)cc1 6747938 ZACDBNPNDJNBGF-KRWDZBQOSA-N 344.480 3.636 10 40 EHCB CCn1c(C)cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)c1C 366496 DCXQAFVCUDJSNQ-MHWRWJLKSA-N 343.814 3.876 10 40 EHCB CCCCOC(=O)c1sc2nc3c(cc2c1N)CN(C(C)C)CC3 12250937 OEPXZTPBJPYOLE-UHFFFAOYSA-N 347.484 3.602 10 40 EHCB COc1ccc(C2=NN[C@H](c3cc(Br)ccc3O)C2)cc1 568015 LFEPVZOBWSQTMH-HNNXBMFYSA-N 347.212 3.602 10 40 EHCB Cc1c(Cl)cccc1NC(=O)[C@@]12CC[C@](C)(C(=O)C1=O)C2(C)C 100868448 COMNFOBKYUYLFR-QZTJIDSGSA-N 333.815 3.551 10 40 EHCB CC[n+]1c(C=C2C=C(C)N(CCO)C(C)=C2)sc2ccccc21 3166579 CCBRMHUVBWDKFF-UHFFFAOYSA-N 327.473 3.708 10 40 EHCB Cc1cccc(N2C(=O)/C(=C\C=C\c3ccco3)C(O)=NC2=S)c1 13775285 QQCAGPSNCMURMM-ZFBSGXTPSA-N 338.388 3.816 10 40 EHCB O=C1CCCN1c1cccc(CNCc2cc(Cl)cc(F)c2O)c1 1648802265 CVNSMRHSDYCYKI-UHFFFAOYSA-N 348.805 3.601 10 40 EHCB C[C@H](NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(F)cc1 66970181 YWDFFAHRFVCJRY-AWEZNQCLSA-N 332.394 3.652 10 40 EHCB CC(C)(C)OC(=O)N1CCC[C@H]([C@@](O)(CN=[N+]=[N-])c2ccccc2)C1 72208094 QBPPHENVTFRNSY-MAUKXSAKSA-N 346.431 3.832 10 40 EHCB COc1ccccc1N[C@H]1SC(=O)N(c2ccccc2C)C1=O 8415927 YMGNAFOFAFLSJE-HNNXBMFYSA-N 328.393 3.642 10 40 EHCB COc1ccccc1NC1=NC(=O)/C(=C\C=C\c2ccco2)S1 27230154 QOHAWSYDOJRIOJ-SQXCIYSKSA-N 326.377 3.927 10 40 EHCB CCO/C(C)=C1\C(=O)N(c2ccccc2)N=C1c1ccc(OC)cc1 4741364 BNIHBYGOODTFFQ-JXAWBTAJSA-N 336.391 3.757 10 40 EHCB O=C(NCc1cc([N+](=O)[O-])ccc1O)c1ccc(Cl)cc1Cl 35325372 ACQSZZCUSKXVAI-UHFFFAOYSA-N 341.150 3.537 10 40 EHCB Cc1ccc(-n2c(C)cc(C(=O)CN3C[C@H](C)O[C@@H](C)C3)c2C)cc1 19791862 HBURWRQHHRVFDR-IRXDYDNUSA-N 340.467 3.694 10 40 EHCB Cc1ccccc1/C=C1/SC(=S)N(CCCCCC(=O)O)C1=O 35648332 NZILKAVTBZJONM-SDNWHVSQSA-N 349.477 3.841 10 40 EHCB O=C(O)CCCCCN1C(=O)/C(=C\C2CCCCC2)SC1=S 13115503 KAKGWVUFKSBCSS-ACCUITESSA-N 341.498 3.956 10 40 EHCB O=Cc1ccc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1 966776 VFFSLHRMNXJEBM-YBEGLDIGSA-N 339.441 3.901 10 40 EHCB C[C@H](O[C@@H]1CC(=O)C[C@H]2C(=O)c3ccccc3C(=O)[C@H]12)c1ccccc1 4568268 QPZYNQGSSNBJQS-HAEOHBJNSA-N 348.398 3.807 10 40 EHCB CCN(CC)c1ccc(/C=C2\NC(=O)N(C3CCCCC3)C2=O)cc1 409087303 CATYYOZSRFYYIT-JXAWBTAJSA-N 341.455 3.758 10 40 EHCB COc1cccc([C@@H]2CC(c3cccs3)=NN2C(=O)C(C)C)c1O 9260516 KCXBJWMJLQOTJW-AWEZNQCLSA-N 344.436 3.796 10 40 EHCB COCCn1c(-c2ccc(F)cc2)cnc1NCc1ccccc1O 4679239 TXFGXWGSIVIEDA-UHFFFAOYSA-N 341.386 3.653 10 40 EHCB CC[C@@H](C)N1C(=O)c2ccccc2N[C@@H]1c1cccc(OC)c1O 7885516 TXPMDZIDOUHKGS-XIKOKIGWSA-N 326.396 3.766 10 40 EHCB COc1ccc([C@@H](c2cc3c(cc2O)OCO3)N2CCCCC2)cc1 5249248 VXUBMVYKZKUFMX-FQEVSTJZSA-N 341.407 3.705 10 40 EHCB COc1ccc(/C=C2\C=C(c3cccs3)OC2=O)cc1[N+](=O)[O-] 409059750 XKOLMPUSOCUFBE-YRNVUSSQSA-N 329.333 3.646 10 40 EHCB O=[N+]([O-])c1nccn1CCCNc1c2ccccc2nc2ccccc12 3776958 PHPQZPFHBMMUGX-UHFFFAOYSA-N 347.378 3.995 10 40 EHCB COc1ccccc1N1C(=O)N=C(O)/C(=C/C=C/c2ccccc2)C1=O 8972011 QPXDYLZDZWFMHL-XGQUATGFSA-N 348.358 3.758 10 40 EHCB COC(=O)c1sc2nc3c(c(-c4cccs4)c2c1N)CCC3 4994391 SSQPBHIVJDMSBT-UHFFFAOYSA-N 330.434 3.882 10 40 EHCB O=C1N=C(O)/C(=C/C=C/c2ccccc2)C(=O)N1c1ccccc1F 8995328 RXXCIPADXRALFH-NHZNEZGNSA-N 336.322 3.889 10 40 EHCB Cc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)O)C2=O)cc1 12504562 ZIYCXWQWXZKZBN-KAMYIIQDSA-N 349.477 3.841 10 40 EHCB C[C@@H](Cc1nc(-c2ccc(O)c(O)c2)cs1)n1cc(Cl)cn1 58193928 LXNSURPNOVDRSO-VIFPVBQESA-N 335.816 3.875 10 40 EHCB COC(=O)C1=C(C)N(C2CCCCC2)C(=O)/C1=C\c1ccccc1F 107614042 ALOUXPHBJUQBCM-VBKFSLOCSA-N 343.398 3.831 10 40 EHCB COc1ccc(N2N=C(C)/C(=C(\C)NC3CCCCC3)C2=O)cc1 112110625 GULJTLPLUKRPLP-AQTBWJFISA-N 327.428 3.614 10 40 EHCB COc1ccc(N2CCN(Cc3c(O)ccc4ccccc34)CC2)cc1 21548631 FPUSTKCTAAALJW-UHFFFAOYSA-N 348.446 3.876 10 40 EHCB CCc1ccc(/C=C2\SC(=S)N([C@H](C(=O)O)C(C)C)C2=O)cc1 5373509 YPFDRGHPJANDHI-XXYUJHKVSA-N 349.477 3.559 10 40 EHCB CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1ccccc1 14009209 KHZGUFKNFLJZEZ-JXAWBTAJSA-N 333.387 3.954 10 40 EHCB COc1cccc(CNc2ncc(-c3ccc(F)cc3)n2C)c1O 4678374 YPRLGRGLRVRHEF-UHFFFAOYSA-N 327.359 3.553 10 40 EHCB CCN(CC)c1ccc(CNC(=O)CCc2c(C)noc2C)cc1F 66841232 OYXKXGZVLJWFHF-UHFFFAOYSA-N 347.434 3.526 10 40 EHCB CCCN1C(=O)/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)SC1=S 409327999 PACGGJSVVOVIKW-YRNVUSSQSA-N 342.829 3.859 10 40 EHCB O=C(Cc1ccccc1)c1ccc(O)c(CN2CCCCC2)c1O 23135312 OGEHKOMXODVETQ-UHFFFAOYSA-N 325.408 3.509 10 40 EHCB biogenic COc1ccc(-c2n[nH]c(C(F)(F)F)c2/N=N\N(C)C)cc1OC 104119146 ZJVJCEUJDXJKSQ-VZCXRCSSSA-N 343.309 3.673 10 40 EHCB O=C1O/C(=C2/SC(=S)N(c3ccccc3)C2=O)c2ccccc21 5947297 RWMYSDXYRGRRHU-BUHFOSPRSA-N 339.397 3.591 10 40 EHCB COC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1ccccc1F 408896230 WSYLDAKXIPAWJQ-VBKFSLOCSA-N 337.350 3.703 10 40 EHCB COC(=O)C1=C(C)N(Cc2ccccc2)C(=O)/C1=C\c1cccc(C)c1 14414278 NPLGGDRFKNAGSL-UYRXBGFRSA-N 347.414 3.868 10 40 EHCB Cc1cc2c(cc1/C=C1/NC(=O)NC1=O)[C@H](C)CC(C)(C)N2C(C)C 223599382 HGRBXTFMCVRPTK-BPKVKKHESA-N 341.455 3.676 10 40 EHCB CN1C(=O)/C(=C2/Sc3ccc(Cl)cc3N2C)SC1=S 3013192 QHTGXUBKFPFOJI-LUAWRHEFSA-N 328.871 3.541 10 40 EHCB CC1=NN(c2ccccc2)C(=O)[C@H]1/N=N\c1cc(-c2ccccc2)n[nH]1 100552292 YTIFJWOFZHKNJD-KYAFNBKBSA-N 344.378 3.952 10 40 EHCB O=C1c2ccccc2N[C@H](c2ccccc2O)N1Cc1cccnc1 57771084 ZYMMRBIZXFKDTF-IBGZPJMESA-N 331.375 3.554 10 40 EHCB Cc1ccc(C)n1N1C(=O)/C(=C\c2cccc(F)c2)SC1=S 409194894 FAPOBUCJEUIOFJ-NTEUORMPSA-N 332.425 3.781 10 40 EHCB O=C1/C(=C\c2ccc([N+](=O)[O-])cc2)SC(=S)N1Cc1ccco1 13573603 MKXNOKKSBOIWEG-MDWZMJQESA-N 346.389 3.589 10 40 EHCB COc1ccc(NC2=NC(=O)/C(=C\c3ccc(C)o3)S2)c(OC)c1 5376678 BZGZHJCITQDHQR-OQLLNIDSSA-N 344.392 3.688 10 40 EHCB Cc1cc(F)ccc1S(=O)(=O)Nc1ccc(O)c2ccccc12 81763 HCSXMNBZMJNQDV-UHFFFAOYSA-N 331.368 3.794 10 40 EHCB O=C(NCc1ccccc1O)Nc1ccccc1N1CCCCC1 69417645 OEOGNODNAVHPRR-UHFFFAOYSA-N 325.412 3.704 10 40 EHCB O=C1/C(=C/c2ccccc2O)SC(=S)N1c1ccc(F)cc1 4816025 MOUTVYWEKMXABM-ZROIWOOFSA-N 331.393 3.937 10 40 EHCB NS(=O)(=O)c1ccc(/N=N/c2ccc(O)c3ccccc23)cc1 4543519 DHBWBPLCZRSOBL-VHEBQXMUSA-N 327.365 3.608 10 40 EHCB COc1ccc2c(c1)c(=O)oc1c(C)c(O[C@H](C)C(C)=O)ccc12 487532 HAGNRTFEFLGJNM-GFCCVEGCSA-N 326.348 3.620 10 40 EHCB biogenic COc1ccc(NCc2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1 226241473 FGBWNIGUUYSRMI-UHFFFAOYSA-N 327.384 3.816 10 40 EHCB CCN(CC)c1ccc(CNC(=O)/C=C/c2ccc(OC)cc2)cc1 224943370 YPHYLTLJQISTSZ-XNTDXEJSSA-N 338.451 3.871 10 40 EHCB CCOc1ccc(/N=N/c2ccc(C=O)c(S(=O)(=O)O)c2)cc1 4783241 HSBSUZYRFYBUJT-WUKNDPDISA-N 334.353 3.560 10 40 EHCB Cc1ccc(C)n1-c1cccc(C(=O)OCC(=O)Nc2ccccc2)c1 7378817 XPCLRYPZDNPGTQ-UHFFFAOYSA-N 348.402 3.890 10 40 EHCB CCN(Cc1ccc(N(C)C)cc1)C(=O)Cc1cccc2cccnc12 42720221 BIMUPBVVIXZRNR-UHFFFAOYSA-N 347.462 3.892 10 40 EHCB COc1ccccc1NCc1c(O)ccc2c3c(c(=O)oc12)CCC3 8744377 RNBIVLWFDMIDOF-UHFFFAOYSA-N 337.375 3.608 10 40 EHCB COC(=O)C1=C(C)N(C(C)C)C(=O)/C1=C/c1c(F)cccc1Cl 107702491 TUSQTNQKJSYISO-XYOKQWHBSA-N 337.778 3.560 10 40 EHCB CC1=CC2=NC(=O)/C(=C/c3ccc(-c4ccc(F)cc4)o3)C(=N)N2O1 13814947 QOPADCBGWAWBCM-WJNHLLBISA-N 337.310 3.536 10 40 EHCB S=C(NCCCN1CCCc2ccccc21)Nc1ccccc1 217938275 RBAMLZGEGWBDDQ-UHFFFAOYSA-N 325.481 3.816 10 40 EHCB CCN(CC)c1ccc([C@@H]2NC(=O)c3c(sc(C)c3C)N2)c(O)c1 43414 YYWZZJUDMNHRGQ-MRXNPFEDSA-N 345.468 3.771 10 40 EHCB CC(=O)c1cccc(N2C(=O)/C(=C/c3ccco3)SC2=S)c1 6563216 RNMJETKTKLOIIB-ZROIWOOFSA-N 329.402 3.888 10 40 EHCB CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C/Nc1ccccc1O 100989528 KWMLBRZFQIPLSI-GXDHUFHOSA-N 327.771 3.764 10 40 EHCB CN(C)c1ccc(CNC(=O)c2ccc(Br)s2)cc1 15134773 BEKRKSUOVOLAGQ-UHFFFAOYSA-N 339.258 3.507 10 40 EHCB CN(C)c1ccc(CNC(=O)[C@@H]2CCCO[C@@H]2c2ccccc2)cc1 40156166 YAAMZEPZCRRSNK-WOJBJXKFSA-N 338.451 3.537 10 40 EHCB O=C1/C(=C/c2cccnc2)SC(=S)N1CCc1ccccc1 8314942 PKNSQXWOSKEWFD-PTNGSMBKSA-N 326.446 3.526 10 40 EHCB CC(C)Oc1ccccc1NC(=O)NCc1ccc(N(C)C)cc1 48345713 FFZBYNOBSKMXPH-UHFFFAOYSA-N 327.428 3.862 10 40 EHCB Cc1ccccc1OCC(=O)NCc1ccc(N2CCCCC2)cc1 13648847 OCUJTQIZYYHEDG-UHFFFAOYSA-N 338.451 3.681 10 40 EHCB CC1=NN(c2ccc(C)cc2)C(=O)/C1=C/Nc1ccc(Cl)c(N)c1 6438797 ZQUBQHPWJMBVGU-XNTDXEJSSA-N 340.814 3.949 10 40 EHCB CC(=O)c1ccc(N2C(=O)/C(=C\c3cccn3C)SC2=S)cc1 4745690 BPGDYVFQFCXBBS-XNTDXEJSSA-N 342.445 3.634 10 40 EHCB CCCC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)NCCCOCC 103917723 MJXYZAFBRJRSEB-JXAWBTAJSA-N 347.434 3.619 10 40 EHCB O=C1NN(c2ccccc2)C(=O)/C1=C/c1ccc(-c2ccccc2F)o1 94257 KCKHVSPERCRBOU-FOWTUZBSSA-N 348.333 3.547 10 40 EHCB COC(=O)c1ccc(N/C=C2/C(=O)N(c3ccc(C)cc3)N=C2C)cc1 5337384 LKRDIMYBCHOIST-LDADJPATSA-N 349.390 3.500 10 40 EHCB COC(=O)C1=C(C)N(Cc2ccco2)C(=O)/C1=C\c1sccc1C 33783120 JSYSWBWACLXIDF-ZROIWOOFSA-N 343.404 3.522 10 40 EHCB Cc1ccccc1NC1=NC(=O)/C(=C\c2ccc(C(=O)O)cc2)S1 54005181 PFDKLNSHIYWVBX-XNTDXEJSSA-N 338.388 3.776 10 40 EHCB COc1ccc(N2CCN(Cc3cc(-c4ccccc4)no3)CC2)cc1 12592858 GDYFBHNTMPGFHM-UHFFFAOYSA-N 349.434 3.672 10 40 EHCB C[C@@H](c1ccccc1)N1C(=O)/C(=C/c2cccn2C)SC1=S 5374414 ANBZOOLPSTXZDH-CMHHUMAZSA-N 328.462 3.988 10 40 EHCB CCOc1ccc(/C=C2\SC(Nc3ccc(O)cc3)=NC2=O)cc1 5584755 WUAFHWOZVOFBIJ-WJDWOHSUSA-N 340.404 3.873 10 40 EHCB COCCCN1C(=O)/C(=C/c2c(F)cccc2Cl)SC1=S 9189305 YIPPZVDNEHHWEN-WQLSENKSSA-N 345.848 3.717 10 40 EHCB COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)ccc1O 1774386 JXRWQBVSWWYLGD-XNTDXEJSSA-N 343.429 3.807 10 40 EHCB CC1=NN(c2ccccc2)C(=O)/C1=C\Nc1ccc(C)cc1[N+](=O)[O-] 100930845 VVSTXMNVZVDBHH-PTNGSMBKSA-N 336.351 3.622 10 40 EHCB O=C(Cc1ccccc1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 4151785 YAYRVLMZUHRIGP-UHFFFAOYSA-N 341.366 3.643 10 40 EHCB CCOc1ccccc1N1C(=O)/C(=C/c2cccn2C)SC1=S 5215792 NPCWSNYSMHSYEX-PTNGSMBKSA-N 344.461 3.830 10 40 EHCB CC[C@@H](NCC1CCN(c2ccncc2)CC1)c1ccccc1O 156441374 CGBSKDBGSFSUFR-LJQANCHMSA-N 325.456 3.745 10 40 EHCB COc1ccc(C[C@@H]2SC(=S)N(Cc3ccco3)C2=O)cc1C 8336407 DGNQOANCKYAYQS-HNNXBMFYSA-N 347.461 3.568 10 40 EHCB CN(C)c1ccc(Nc2nc3c(s2)C(=O)c2ccccc2C3=O)cc1 72194232 LEVLQACRDNIMCT-UHFFFAOYSA-N 349.415 3.728 10 40 EHCB CCCN1C(=O)/C(=C\c2cc([N+](=O)[O-])ccc2Cl)SC1=S 113830552 GNZKZWVKXCPNMA-YRNVUSSQSA-N 342.829 3.859 10 40 EHCB Cc1cc(C(=O)NN2Cc3ccccc3C2=N)c(C)n1-c1ccccc1 12618919 FWUMNEBADPXDDT-UHFFFAOYSA-N 344.418 3.580 10 40 EHCB CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2cccs2)cc1 6747939 ZACDBNPNDJNBGF-QGZVFWFLSA-N 344.480 3.636 10 40 EHCB O=C(c1ccccc1)N1N=C(c2ccco2)C[C@@H]1c1ccccc1O 8734922 YDKHKTKGVYXCOC-QGZVFWFLSA-N 332.359 3.977 10 40 EHCB Nc1ccc(NC(=O)c2cccc(NC(=O)c3ccccc3)c2)cc1 7468422 LBMKIRDKFCWRPR-UHFFFAOYSA-N 331.375 3.773 10 40 EHCB CCOc1ccc(N2C(=O)/C(=C\c3cccn3C)SC2=S)cc1 5791100 AGFLVCOERYOKSP-RVDMUPIBSA-N 344.461 3.830 10 40 EHCB CCN1C(=O)/C(=C/c2ccc(N3CCCCC3)cc2)SC1=S 6205502 VCRJSHHJPAZETR-QINSGFPZSA-N 332.494 3.898 10 40 EHCB CCOc1cccc(NC(=S)NCCN(C)c2ccccc2)c1 225571482 YBKYAKISTVUQAX-UHFFFAOYSA-N 329.469 3.508 10 40 EHCB COc1ccc(/C=C2\SC(=S)N(CC(C)C)C2=O)cc1OC 2707225 HGARRTVCLYHARZ-ZSOIEALJSA-N 337.466 3.561 10 40 EHCB COC(=O)c1ccc2c(c1)CCCN2Cc1c(O)ccc2ncccc12 83895852 BFSSYICZIJQWJU-UHFFFAOYSA-N 348.402 3.680 10 40 EHCB CCOC(=O)Nc1ccc2c(c1Cl)C(=O)c1ccccc1C2=O 4792028 GYCISAJAUZYVFK-UHFFFAOYSA-N 329.739 3.684 10 40 EHCB CC(=O)Nc1cccc(N/C=C2\C(=O)N(c3ccc(C)cc3)N=C2C)c1 6815006 CEABNZITXDLCMV-UNOMPAQXSA-N 348.406 3.672 10 40 EHCB CCOc1ccccc1N1C(=O)/C(=C/c2cccnc2)SC1=S 1812169 FTKQHPQACFNGAL-GDNBJRDFSA-N 342.445 3.886 10 40 EHCB CCN1C(=O)N/C(=C/c2cc(C)n(-c3c(C)cccc3C)c2C)C1=O 409240748 HREXKVCTGMERRP-GZTJUZNOSA-N 337.423 3.624 10 40 EHCB CCN(CC)c1ccc(CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 223780417 RBSHVEGKABOLQY-UHFFFAOYSA-N 341.411 3.679 10 40 EHCB CCCC(=O)N1N=C(c2cccc(OC)c2)C[C@@H]1c1ccccc1O 95116066 XZYBUOGVZMZFSD-GOSISDBHSA-N 338.407 3.879 10 40 EHCB Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NC2=NCCS2)c1 12539617 JFGPEJFGIYXLQJ-UHFFFAOYSA-N 333.844 3.580 10 40 EHCB Cc1cc(/C=C2/C(=O)N(C)C(=O)N=C2O)c(C)n1C1CCCCC1 57462792 FFNJEHIGASESHJ-XNTDXEJSSA-N 329.400 3.542 10 40 EHCB Cc1ccc(-c2c[nH]c([C@@H]3COCCN3Cc3ccccc3O)n2)cc1 67898681 AGOVVLGWMFMYGR-IBGZPJMESA-N 349.434 3.664 10 40 EHCB biogenic,in-vitro COc1ccc(N/C=C/C=C/C=C2\SC(=S)N(C)C2=O)cc1 4091432 NHSSMYSYZPESQS-ZWGKACPDSA-N 332.450 3.551 10 40 EHCB Cc1cccc(C2=NN3C(=N)/C(=C/c4ccccc4)C(=O)N=C3S2)c1 380483 ZMSLWEMNSPRMAH-GQECEEOXSA-N 346.415 3.662 10 40 EHCB COc1cc(/C=C2/C=C(c3ccccc3)OC2=O)cc(OC)c1OC 13590724 CBLVQBMXXKVHBY-DHDCSXOGSA-N 338.359 3.694 10 40 EHCB O=C1NN=C(c2ccccc2)/C1=C\Nc1ccc(C(F)(F)F)cc1 100406352 IHNMVALFEBJQGR-GXDHUFHOSA-N 331.297 3.535 10 40 EHCB Cc1cc2oc(=O)c(C)c(C)c2c(O)c1C1=NN[C@H](c2ccccc2)C1 12296684 UWQBFNZVNWTMNH-HNNXBMFYSA-N 348.402 3.863 10 40 EHCB biogenic O=C(O)c1ccc(/N=N\[C@H]2Sc3nc4ccccc4n3C2=O)cc1 103899432 JEFOVHPYTCSNLA-UNQMGURYSA-N 338.348 3.590 10 40 EHCB CC(C)[C@H](NC(=O)OC(C)(C)C)[C@](O)(CN=[N+]=[N-])c1ccccc1 72207945 NYVVOYWRTCDZMA-YOEHRIQHSA-N 334.420 3.734 10 40 EHCB COc1cccc(/C=C2\SC(=S)N(c3ccccc3O)C2=O)c1 5370663 HNJHIEJDQBLHGB-GDNBJRDFSA-N 343.429 3.807 10 40 EHCB COc1cccc(/C=C2\SC(Nc3ccccc3C)=NC2=O)c1O 12549086 YHRJKSRBYNIZNW-GDNBJRDFSA-N 340.404 3.792 10 40 EHCB COc1ccc(OC)c(/C=C2\C(=O)N(c3ccc(C)cc3)N=C2C)c1 4477138 JXXRAFDWPWABHM-PDGQHHTCSA-N 336.391 3.818 10 40 EHCB COc1ccc(/C=C2\SC(Nc3ccc(F)cc3)=NC2=O)cc1O 8238625 HCEDMPYYAUNMQO-DHDCSXOGSA-N 344.367 3.622 10 40 EHCB O=C(N[C@H](c1ccccc1)c1c(O)ccc2ccccc12)c1cc[nH]n1 48360826 WZFXZOOGMQUEOK-HXUWFJFHSA-N 343.386 3.788 10 40 EHCB CCN(CC)c1ccc(CNC(=O)COc2cccc(C)c2)cc1 225277400 QVFYSUWYPMENBE-UHFFFAOYSA-N 326.440 3.536 10 40 EHCB C[C@@H]1[C@@H](c2ccccc2)O[C@@H](c2ccc(N3CCOCC3)cc2)N1C 257345171 GPVLWMWZMUZIJB-CZAAIQMYSA-N 338.451 3.614 10 40 EHCB CCn1cc(/C=C2/C(=O)N(c3ccccc3)N=C2c2ccco2)c(C)n1 6490207 DBWKDJBIWLGERJ-SFQUDFHCSA-N 346.390 3.639 10 40 EHCB Cc1cc(C(=O)NCc2ccc3c(c2)OCO3)c(C)n1-c1ccccc1 8342602 PZEOUUYJVMZCRX-UHFFFAOYSA-N 348.402 3.753 10 40 EHCB CCOC(=O)c1cccc(/N=N/c2cc(C)c(O)c(C(=O)O)c2)c1 70462722 LAFNAMGIQWYLJG-VHEBQXMUSA-N 328.324 3.991 10 40 EHCB C[C@@H]1CCCN(c2ccc(CNC(=O)Cc3cccs3)cc2)C1 98086208 VAXDWMNCMKHOFJ-OAHLLOKOSA-N 328.481 3.843 10 40 EHCB C[C@H]1CCCC[C@H]1NC(=O)c1ccc2c(c1)C(=O)c1ccccc1C2=O 12417752 OIGBFUYSVIRKGB-ORAYPTAESA-N 347.414 3.771 10 40 EHCB Cc1cc(C)cc(NCc2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c1 216737270 KWECDLFVDHVLIO-UHFFFAOYSA-N 341.411 3.660 10 40 EHCB CN(C)c1ccc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)cc1 12534173 VXQGBGAKYBGKCS-GDNBJRDFSA-N 344.461 3.747 10 40 EHCB COc1ccccc1/C=C/C(=O)NCc1ccc(N2CCCC2)cc1 10113486 YLSKTAVRTLSSLW-JLHYYAGUSA-N 336.435 3.625 10 40 EHCB O=C1N=C(Nc2ccc(C(=O)O)cc2)S/C1=C/c1cccs1 28296979 QBCHAZSOHWBDAH-XYOKQWHBSA-N 330.390 3.529 10 40 EHCB CCC1=NN2C(=N)/C(=C\c3c(C)[nH]c4ccccc34)C(=O)N=C2S1 18283877 ICTBIDUGMVKWJV-LRVNMVSOSA-N 337.408 3.505 10 40 EHCB C[C@H](NC(=O)CCc1ncc(-c2ccccc2)o1)c1ccccc1O 40063354 CVIKDNMKPKLAGF-AWEZNQCLSA-N 336.391 3.857 10 40 EHCB Cc1ccc(-n2c(C)cc(C(=O)CSc3ncn[nH]3)c2C)cc1C 6507592 RXMSREDTCSLOFK-UHFFFAOYSA-N 340.452 3.804 10 40 EHCB Cc1cc(C(=O)N[C@H]2CCc3ccccc32)c(C)n1-c1ccccn1 73744386 AWDRFHCSBNYIDJ-IBGZPJMESA-N 331.419 3.906 10 40 EHCB Cc1cc(C(=O)C(F)(F)F)c(C)n1-c1ccc2snnc2c1 4054624 BXRBHPSBCAILGE-UHFFFAOYSA-N 325.315 3.844 10 40 EHCB O=C(OC1CCCCC1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](C(=O)O)N2 4035564 ICOHVCVFOZOLOK-RVKKMQEKSA-N 341.407 3.715 10 40 EHCB CCOc1ccccc1/C=C1\SC(N2CCC(C)CC2)=NC1=O 13758543 NIZVRACYWMQSMF-VBKFSLOCSA-N 330.453 3.788 10 40 EHCB CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C/c1ccc2c(c1)OCO2 4839126 GJXFQHCMPPDDRH-RQZCQDPDSA-N 334.375 3.838 10 40 EHCB CN(Cc1ccccc1O)C(=O)c1ccc(OC2CCCC2)cc1 53916100 SBHHRIPKWARLMT-UHFFFAOYSA-N 325.408 3.986 10 40 EHCB CCCN1C(=O)/C(=C\c2ccc(C(C)C)cc2)C(C(=O)OC)=C1C 574559 GDXHROCWGBLANN-ATVHPVEESA-N 327.424 3.893 10 40 EHCB CCCCN/C(C)=C1\C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1CCC 17071850 BOHKGQBMVLEBLY-LGMDPLHJSA-N 344.415 3.761 10 40 EHCB C[C@@H](NC(=O)CCc1ncc(-c2ccccc2)o1)c1ccccc1O 40063356 CVIKDNMKPKLAGF-CQSZACIVSA-N 336.391 3.857 10 40 EHCB CCCN1C(=O)/C(=C\c2ccc(N3CCOCC3)cc2)c2ccccc21 409116660 LVOKEFQQDZRFGC-SILNSSARSA-N 348.446 3.820 10 40 EHCB O=C(Nc1ccccc1)[C@H](NCc1ccccc1O)c1ccccc1 78394182 YZYMBXSTZSQREG-HXUWFJFHSA-N 332.403 3.862 10 40 EHCB Cc1ccc(NC2=NC(=O)/C(=C\c3ccc4c(c3)OCO4)S2)cc1 35330598 VRJMYQJWMASRRU-CXUHLZMHSA-N 338.388 3.806 10 40 EHCB COCCn1c(-c2ccc(Br)cc2)cnc1SC 44085277 FPADMLAVYUGJRR-UHFFFAOYSA-N 327.247 3.681 10 40 EHCB CC1=NN(c2ccc(Cl)c(C(=O)O)c2)C(=O)/C1=C/c1cccs1 100077633 IPGORUFBIQIASW-XYOKQWHBSA-N 346.795 3.906 10 40 EHCB COc1cccc(C2=NN(C(=O)C(C)C)[C@H](c3ccccc3O)C2)c1 89775608 LXHVGZGGHGIADP-SFHVURJKSA-N 338.407 3.735 10 40 EHCB CCOC(=O)[C@@H]1CCCN(Cc2cc(C(C)(C)C)cc(C)c2O)C1 89983562 YDQQPPKREAZGQY-OAHLLOKOSA-N 333.472 3.773 10 40 EHCB CCOc1cccc(CN[C@H](C)c2ccc(OC)c(OC)c2)c1O 98212996 RNHGBVPPUDEVCZ-CYBMUJFWSA-N 331.412 3.659 10 40 EHCB NC(=O)c1cccc2c1N[C@H](c1cccc([N+](=O)[O-])c1)[C@@H]1CC=C[C@@H]21 13590255 ULMBGXXVZASLBH-CKEIUWERSA-N 335.363 3.520 10 40 EHCB Cc1ccc(C(=O)O)cc1N1C(=O)/C(=C/c2ccco2)SC1=S 6846409 IATFKSKQUBHCNF-JYRVWZFOSA-N 345.401 3.692 10 40 EHCB CCCOc1ccccc1/C=C1/C(=O)N(C(=O)c2ccccc2)N=C1C 408946240 YQBRJTIXLVHDTG-NBVRZTHBSA-N 348.402 3.917 10 40 EHCB O=C(O)c1ccc([C@@H]2Nc3ccc(C(=O)O)cc3[C@@H]3C=CC[C@H]32)cc1 19889556 NOOGFRZLFMBLBG-RKVPGOIHSA-N 335.359 3.910 10 40 EHCB COCCCN1C(=O)/C(=C/c2ccc(SC)cc2)SC1=S 9189316 HCFKPFFXILYHNY-RAXLEYEMSA-N 339.507 3.646 10 40 EHCB CC[C@H](CCO)CNC(=O)c1cc(C)n(-c2ccccc2C)c1C 75110952 UAGDIFWDWJWBBH-QGZVFWFLSA-N 328.456 3.541 10 40 EHCB C[C@@H](NC(=O)CC1CCN(C)CC1)c1ccc(N2CCCCC2)cc1 216904433 ADTQVXDHWDSDIE-QGZVFWFLSA-N 343.515 3.586 10 40 EHCB COc1cc(/C=C2/C=C(c3ccccc3)OC2=O)ccc1OC(C)=O 15013355 UCZITQGONRVSFT-YBEGLDIGSA-N 336.343 3.602 10 40 EHCB CCN(CC)CCn1c(NCc2ccccc2O)nc2ccccc21 532364 LBLJCDSPZCIXEZ-UHFFFAOYSA-N 338.455 3.696 10 40 EHCB CCCCc1ccc(NC(=O)[C@]23CC[C@](C)(C(=O)C2=O)C3(C)C)cc1 1805583 PPRDJLZONBKPBL-RTWAWAEBSA-N 341.451 3.932 10 40 EHCB CC(C)(C)c1n[nH]cc1/C=C1\SC(=S)N(c2cccnc2)C1=O 58381528 YRJXMCCNKIDSCL-GHXNOFRVSA-N 344.465 3.508 10 40 EHCB CC(=O)Nc1ccc(N/C=C2\C(=O)N(c3ccc(C)cc3)N=C2C)cc1 100040880 SKQPOQLSLLROJI-UNOMPAQXSA-N 348.406 3.672 10 40 EHCB CC(C)(C)OC(=O)N1CCC[C@H]1[C@@](O)(CN=[N+]=[N-])c1ccccc1 72207994 ZFOYMOMZVZPVPX-WMLDXEAASA-N 332.404 3.584 10 40 EHCB CCN1/C(=C2/SC(=S)N(C)C2=O)Sc2ccc(Cl)cc21 83259872 WUJVQDZOXODOEV-BENRWUELSA-N 342.898 3.931 10 40 EHCB CN(CCCNC(=S)Nc1ccc(F)c(F)c1)c1ccccc1 225748171 NLCHBKCQPKVQAX-UHFFFAOYSA-N 335.423 3.778 10 40 EHCB CCOc1ccccc1/C=C1\SC(N2CCC[C@@H](C)C2)=NC1=O 9188889 IACJDCBUZVCZAF-YYTPVVGHSA-N 330.453 3.788 10 40 EHCB CN(C)c1ccc(/C=C2\C(=N)N3C(=NC2=O)Sc2ccccc23)cc1 13817335 MKVUIORSBWMLCI-RAHMVZLSSA-N 348.431 3.622 10 40 EHCB COc1ccccc1NC[C@@H](O)COc1cc(Cl)ccc1Cl 12561500 CHJUSPVUTHZBGM-GFCCVEGCSA-N 342.222 3.854 10 40 EHCB CN(C)c1ccc(CNC(=O)Nc2nc3ccccc3s2)cc1 9979106 VZTHKXZJTUECNC-UHFFFAOYSA-N 326.425 3.684 10 40 EHCB O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1ccc(F)cc1 3899117 WJDJFLYXANINQF-UHFFFAOYSA-N 345.329 3.853 10 40 EHCB Cc1cc(C(=O)N2CCC[C@@H]2c2ccc[nH]2)c(C)n1-c1ccccn1 79448038 XFNJOXNXGIIIJG-GOSISDBHSA-N 334.423 3.795 10 40 EHCB COc1ccc(N2CCN(Cc3nc4ccccc4s3)CC2)cc1 23818232 SZIUPMJUGDXOPV-UHFFFAOYSA-N 339.464 3.627 10 40 EHCB CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)c(C)cc1OC 409007697 QTXWVTWQYGMELA-ZROIWOOFSA-N 337.466 3.623 10 40 EHCB Cc1cc(C(=O)COC(=O)c2ccco2)c(C)n1-c1cccc(F)c1 3555236 VFEJWZJCUNSLJN-UHFFFAOYSA-N 341.338 3.866 10 40 EHCB Cc1ccc(-c2ccc(/C=C3\SC(=S)NC3=O)o2)cc1[N+](=O)[O-] 4739900 YYKNERZDMBFTSB-QPEQYQDCSA-N 346.389 3.652 10 40 EHCB Cc1csc(NC(=O)CSc2ncc(-c3ccccc3)n2C)n1 7423164 CLHGDJZMZNUBMI-UHFFFAOYSA-N 344.465 3.583 10 40 EHCB CC(C)(C)C1(C)OC(=O)C(=Cc2ccc(N3CCCC3)cc2)C(=O)O1 387318 BSUPQSCQNNZZMX-UHFFFAOYSA-N 343.423 3.533 10 40 EHCB CCOc1ccc(N2C(=O)/C(=C/c3ccncc3)SC2=S)cc1 1251498 XDWPLDVLWUCHOR-PTNGSMBKSA-N 342.445 3.886 10 40 EHCB CC(C)Oc1ccccc1/C=C1\SC(NC2CCCC2)=NC1=O 21313951 OJGQIKLAWXXZHM-WJDWOHSUSA-N 330.453 3.976 10 40 EHCB Cc1ccc(N(C)CCNC(=S)Nc2c(F)cccc2F)cc1 225795985 FHKLAQXMNOWTNL-UHFFFAOYSA-N 335.423 3.696 10 40 EHCB Cc1c(C(=O)O)cccc1-c1ccc(/C=C2\SC(=O)N(C)C2=O)o1 408815726 RVZHVPJTGXGKSY-ZSOIEALJSA-N 343.360 3.619 10 40 EHCB C[C@H](c1ccc(N(C)C)c(N(C)C)c1)c1ccc(N(C)C)cc1N 1594191 PAWMRFFXQGNVPZ-CQSZACIVSA-N 326.488 3.619 10 40 EHCB COCCN1C(C)=CC(=Cc2sc3ccccc3[n+]2C)C=C1C 3197355 YLHKJVJCDYQEHJ-UHFFFAOYSA-N 327.473 3.879 10 40 EHCB COC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1cccs1 4702334 GCMTXFFEZHCTAW-WJDWOHSUSA-N 339.416 3.934 10 40 EHCB Cc1ccccc1NC1=NC(=O)/C(=C/c2cccc3c2OCO3)S1 97147305 FOERLEHWINUVBN-DHDCSXOGSA-N 338.388 3.806 10 40 EHCB O=C1/C(=C\c2cccs2)SC(=S)N1c1ccc2c(c1)OCO2 1248950 WWXPHNJSOAZQRC-NTUHNPAUSA-N 347.442 3.883 10 40 EHCB O=C(NCc1cc([N+](=O)[O-])ccc1O)c1cc(Cl)sc1Cl 35286721 KWQOHHPLHWNIHN-UHFFFAOYSA-N 347.179 3.599 10 40 EHCB CC(=O)[C@@H](/N=N\c1ccc(C)cc1[N+](=O)[O-])C(=O)Nc1ccccc1 104171905 MFYSUUPKMDJYPF-DVSFIDLUSA-N 340.339 3.583 10 40 EHCB C[C@@H](c1ccco1)N(Cc1cc(=O)oc2cc(O)c(O)cc12)C1CC1 97135209 STJQZXVKBGKWHU-NSHDSACASA-N 341.363 3.523 10 40 EHCB O=C1[C@@H](Cc2ccc(F)cc2)SC(=S)N1CCc1ccccc1 409145900 QISVICHHPNBIRW-MRXNPFEDSA-N 345.464 3.840 10 40 EHCB CN(C)c1ccc(/C=C/C(=O)Nc2ccc(-n3cccn3)cc2)cc1 32240579 GUIHVUCPIQHIGA-AWNIVKPZSA-N 332.407 3.590 10 40 EHCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3c(C)cc(C)cc3C)C2=O)cc1 408777316 YGOMIEDRNCKDMO-WOJGMQOQSA-N 348.402 3.587 10 40 EHCB Fc1ccc(NC(=S)NCCCN2CCCc3ccccc32)cc1 225745407 MVAURWMVXQNQKT-UHFFFAOYSA-N 343.471 3.955 10 40 EHCB COc1ccc(N2C(=O)/C(=C/c3ccccc3O)SC2=S)cc1 1505897 CXMKIHJMSMWYJS-GDNBJRDFSA-N 343.429 3.807 10 40 EHCB CC(=O)c1cccc(N2C(=O)/C(=C\c3cccn3C)SC2=S)c1 5371638 VHKMKTCUNHGAGT-XNTDXEJSSA-N 342.445 3.634 10 40 EHCB CN(C)c1ccc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)cc1 202370 KHTGTFULQHGQGG-MHWRWJLKSA-N 341.798 3.503 10 40 EHCB Cc1cccc(/C=C2\SC(=S)N(c3ccccc3F)C2=O)n1 409329814 GWORSRUBMYWBJA-ZROIWOOFSA-N 330.409 3.935 10 40 EHCB Cc1cc(/C=C2/NC(=S)N(C3CCCCC3)C2=O)c(C)n1C1CC1 101448243 OBNGAPXFANKWDA-GZTJUZNOSA-N 343.496 3.830 10 40 EHCB Cc1cc(N2CCCC2)ccc1NC(=O)CSc1nccs1 47271894 BWDAVVIMLAHFHN-UHFFFAOYSA-N 333.482 3.783 10 40 EHCB CC1=NN(c2ccccc2)C(=O)/C1=C\Nc1ccc2ncccc2c1 44827006 IADPUMGEBXBGOU-AQTBWJFISA-N 328.375 3.953 10 40 EHCB Cc1ccc(-n2c(C)cc(C(=O)CN3C[C@@H](C)O[C@H](C)C3)c2C)cc1 19791861 HBURWRQHHRVFDR-IAGOWNOFSA-N 340.467 3.694 10 40 EHCB CCOc1ccc(/C=C2/C(=O)N(c3ccccc3)C(=O)N=C2O)cc1 83302920 INSCKMSPWPMGKB-FOWTUZBSSA-N 336.347 3.592 10 40 EHCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1C 33735478 JLOJSXAPTCXIKQ-DEDYPNTBSA-N 342.402 3.987 10 40 EHCB Cc1ccc(N2C(=O)/C(=C/N3CCCCC3)SC2=S)c(C)c1 5961304 OEJRAUQVTIVYNA-PTNGSMBKSA-N 332.494 3.995 10 40 EHCB C[C@H](NC(=S)Nc1ccccc1)c1ccc(N2CCOCC2)cc1 65222462 SZMWWEQVOWURGV-HNNXBMFYSA-N 341.480 3.571 10 40 EHCB COc1ccc(N(C)CCNC(=S)Nc2cc(C)ccc2C)cc1 225797271 YNYCPHRDFAMHKV-UHFFFAOYSA-N 343.496 3.735 10 40 EHCB COc1ccc(/C=C2\SC(=S)N(Nc3ccccc3)C2=O)cc1 13765558 KFCQFMZWMYEXRN-PTNGSMBKSA-N 342.445 3.924 10 40 EHCB COc1ccc2c(c1)CCCN2CC(=O)Nc1cccc2ncccc12 21333386 IIIGOZLWTUZZMC-UHFFFAOYSA-N 347.418 3.635 10 40 EHCB CCCC(=O)N1N=C(c2ccc(O)c(OC)c2)C[C@@H]1c1ccccc1 95945950 UAQCXMXAIRJESZ-QGZVFWFLSA-N 338.407 3.879 10 40 EHCB O=C(c1cccs1)N1N=C(c2ccccc2O)C[C@@H]1c1ccncc1 97165249 LYYWUXBMYLAADJ-MRXNPFEDSA-N 349.415 3.840 10 40 EHCB COc1ccc([C@H](c2cc3c(cc2O)OCO3)N2CCCCC2)cc1 5257137 VXUBMVYKZKUFMX-HXUWFJFHSA-N 341.407 3.705 10 40 EHCB C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)OC(=O)/C(=C/O)C[C@H]12 104270683 LUCOQXWMBYAVDV-ADQCCIFQSA-N 334.456 3.737 10 40 EHCB CCN(CC)c1ccc(CNC(=O)COc2cc(C)cc(C)c2)cc1 223834009 QIWRAYLWTNOHHO-UHFFFAOYSA-N 340.467 3.845 10 40 EHCB Cc1[nH]c2ccccc2c1C=C1C(=O)OC(c2ccccc2)OC1=O 8705525 KTQVPZCGOVDANY-UHFFFAOYSA-N 333.343 3.659 10 40 EHCB O=C1/C(=C\C=C/c2ccccc2)SC(=S)N1C[C@@H]1CCCO1 4832757 IEVDSMZLFHKILP-SOBMVKLISA-N 331.462 3.623 10 40 EHCB CCCCCN1C(=O)/C(=C/c2ccc(O)c(OC)c2)SC1=S 2529337 VQGHRWDNIWMIPB-UVTDQMKNSA-N 337.466 3.792 10 40 EHCB COc1ccc(N2CCN(C(=S)c3ccc(Cl)cc3)CC2)cc1 13546995 QQKQYLQAVOZVEZ-UHFFFAOYSA-N 346.883 3.846 10 40 EHCB CCOc1cc(/C=C2\SC(=S)N(C(C)(C)C)C2=O)ccc1O 5372054 VSTHLCXJTNYQLO-LCYFTJDESA-N 337.466 3.791 10 40 EHCB CC(C)[C@@](C)(CNC(=O)OC(C)(C)C)NCc1ccc2c(c1)CCO2 75612502 JSGKMIJVSGULQM-HXUWFJFHSA-N 348.487 3.651 10 40 EHCB COc1cc(C=O)cc(CN2CCC(Cc3ccccc3)CC2)c1O 226762992 RKXZHPSAGPOXNY-UHFFFAOYSA-N 339.435 3.668 10 40 EHCB Nc1ccc2cc(S(=O)(=O)O)cc(O)c2c1/N=N\c1ccccc1 17302786 AQNYJBKPOPUIHV-HNENSFHCSA-N 343.364 3.790 10 40 EHCB Nc1ccc2c(O)c(/N=N\c3ccccc3)c(S(=O)(=O)O)cc2c1 17303088 XLFWWVGLOLLVHO-HNENSFHCSA-N 343.364 3.790 10 40 EHCB CSc1ccc(C[C@@H]2SC(=S)N(CC(C)C)C2=O)cc1 6326116 BVGZZBHFZHVNMR-ZDUSSCGKSA-N 325.524 3.836 10 40 EHCB Oc1c([C@H](Nc2nccs2)c2ccccn2)ccc2cccnc12 1016318 PAFHWBFBRDXLHE-INIZCTEOSA-N 334.404 3.993 10 40 EHCB O=C1/C(=C/C=C/c2ccccc2)SC(=S)N1C[C@H]1CCCO1 4791798 IEVDSMZLFHKILP-CMGZJDDPSA-N 331.462 3.623 10 40 EHCB CCN1C(=O)/C(=C\c2cccc(Cl)c2Cl)C(C(=O)OC)=C1C 409002274 STVXUUYCDVDOIR-FLIBITNWSA-N 340.206 3.686 10 40 EHCB O=C1/C(=C\c2cccc(F)c2)SC(=S)N1c1cccc(O)c1 1243631 KZZHXFHDYFPXPA-RIYZIHGNSA-N 331.393 3.937 10 40 EHCB Cc1cc(C(=O)OCC(=O)Nc2ccccc2)c(C)n1-c1ccccc1 3264488 DMLQXQBURZQWRR-UHFFFAOYSA-N 348.402 3.890 10 40 EHCB COc1ccc(/C=C2/SC(N3CCCCCC3)=NC2=O)cc1OC 67594 NYVZRBBHPIUTQS-FOWTUZBSSA-N 346.452 3.550 10 40 EHCB COc1ccccc1NC[C@@H](O)COc1ccc(Cl)cc1Cl 74236 PNYCMUCLQNEIQS-GFCCVEGCSA-N 342.222 3.854 10 40 EHCB COc1ccc(NC2=NC(=O)/C(=C\c3ccccc3OC)S2)cc1 16440254 MLZGDNYSAFHBSG-LFIBNONCSA-N 340.404 3.786 10 40 EHCB Cc1ccccc1O[C@H](C)C(=O)NCc1ccc(N2CCCC2)cc1 20457843 ICEVCNRGWIKVMU-QGZVFWFLSA-N 338.451 3.679 10 40 EHCB O=C(N[C@@H](c1ccccc1)c1c(O)ccc2ccccc12)c1cc[nH]n1 48360824 WZFXZOOGMQUEOK-FQEVSTJZSA-N 343.386 3.788 10 40 EHCB CCCN1C(=O)/C(=C/c2cc(Cl)c3c(c2)OCO3)SC1=S 96935944 MJVMTQHUSXEYNT-WDZFZDKYSA-N 341.841 3.680 10 40 EHCB CCOC(=O)[C@@H]1CCCN(Cc2cc(C)cc(C(C)(C)C)c2O)C1 89983556 ITPKBYIVRRRUPV-OAHLLOKOSA-N 333.472 3.773 10 40 EHCB CCOc1cccc(NC(=S)NCCCN(C)c2ccccc2)c1 225748344 SRKPXILAQPHGNR-UHFFFAOYSA-N 343.496 3.898 10 40 EHCB CCCNC(=O)c1cc(C)n(-c2ccc(Br)cc2)c1C 32906325 AVCWHYZNVBZQRV-UHFFFAOYSA-N 335.245 3.996 10 40 EHCB CCN1C(=O)/C(=C/c2cccc(OC)c2OC(C)C)SC1=S 5979381 WOLDJIPSAIPJQJ-LCYFTJDESA-N 337.466 3.704 10 40 EHCB Nc1ccc(/N=N/c2c(O)ccc3cc(S(=O)(=O)O)ccc23)cc1 3844579 NXFZJCHCTVNHLV-VHEBQXMUSA-N 343.364 3.790 10 40 EHCB CN(C1=NC(=O)/C(=C\c2nc3ccccc3n2C)S1)c1ccccc1 5236020 XTEWTLJNHHJJIN-FOWTUZBSSA-N 348.431 3.680 10 40 EHCB Cc1ccc(C)n1-c1ccc(C(=O)OCc2ccc(C(N)=O)cc2)cc1 17230662 VFKBOKJJELPENP-UHFFFAOYSA-N 348.402 3.550 10 40 EHCB O=C1[C@H](Cc2ccc(Cl)cc2)SC(=S)N1Cc1cccnc1 6970946 QEZDZILEMUKPSU-AWEZNQCLSA-N 348.880 3.707 10 40 EHCB COC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1ccccc1OC 408895239 ULBUCMMQNMJLJU-LGMDPLHJSA-N 349.386 3.572 10 40 EHCB C[C@H](NC(=S)Nc1cccnc1)c1ccc(N2CCCC2)cc1 225697131 HZFDXVKBINBONZ-AWEZNQCLSA-N 326.469 3.729 10 40 EHCB CN(C1=NC(=O)/C(=C/c2ccc(F)cc2)S1)c1ccc(O)cc1 107175 IKWJEOZZUWKNSR-GDNBJRDFSA-N 328.368 3.638 10 40 EHCB COC(=O)CC1(c2cccc3ccccc23)C(=O)c2ccccc2C1=O 494471 GSNJBINZDZXIGI-UHFFFAOYSA-N 344.366 3.720 10 40 EHCB Cc1ccc(-c2n[nH]cc2CNCc2ccc(N3CCCC3)cc2)o1 97159315 XEBHOAYWBVPBHD-UHFFFAOYSA-N 336.439 3.868 10 40 EHCB CCOC(=O)c1ccc(/N=N/c2cc(C=O)c(O)c(OC)c2)cc1 70462737 AWCFCDZFQLWXSH-VHEBQXMUSA-N 328.324 3.805 10 40 EHCB CC[C@H](NC1CCN(c2cc(C)nc(C)n2)CC1)c1ccccc1O 97139540 OLGPKRCAWFZOQH-SFHVURJKSA-N 340.471 3.509 10 40 EHCB COc1ccc(N2CCN(c3cc(C)c4ccccc4n3)CC2)cc1 6823799 BEKDMWUPVWIZGM-UHFFFAOYSA-N 333.435 3.878 10 40 EHCB Cc1cc(C)nc(NC(=S)NCc2ccc(N3CCCC3)cc2)c1 223951623 XWEPKNNBSRBOPN-UHFFFAOYSA-N 340.496 3.785 10 40 EHCB Cc1cccc(NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c1 40123026 OQXVDNPQPRTWRO-SFHVURJKSA-N 340.423 3.914 10 40 EHCB CC(=O)N1N=C(c2ccccc2O)C[C@@H]1c1ccc(Cl)c(F)c1 97105088 YOQMERRRKTWWDU-MRXNPFEDSA-N 332.762 3.882 10 40 EHCB CC(=O)Nc1ccc(N2C(=O)/C(=C\c3ccco3)SC2=S)cc1 8565915 GNQMOPAWEQDJAJ-NTEUORMPSA-N 344.417 3.644 10 40 EHCB COc1cccc(N/C=C2\SC(=S)N(Cc3ccco3)C2=O)c1 618254898 JFKXNDKMUSATIG-ZROIWOOFSA-N 346.433 3.602 10 40 EHCB CC[C@@H](C)Oc1ccc(NC(=O)NCc2c(O)cccc2O)cc1 1616037974 DAIMYHPCQZTFCX-GFCCVEGCSA-N 330.384 3.597 10 40 EHCB Cc1ccc(-n2c(C)cc3c2CC[C@H](C(=O)C(F)(F)F)C3=O)cc1 3268650 HVIQSCXRCNULEX-ZDUSSCGKSA-N 335.325 3.971 10 40 EHCB CCCOc1ccc(/C=C2/SC(N3CCCCC3)=NC2=O)cc1 2295268 REEFLTRHUFXXBA-DTQAZKPQSA-N 330.453 3.932 10 40 EHCB CCCCN1C(=O)/C(=C\c2ccc(CC)cc2)C(C(=O)OC)=C1C 409204824 JXIONQPOXWBALL-LGMDPLHJSA-N 327.424 3.722 10 40 EHCB CC1=NN(c2cccc(C(=O)O)c2)C(=O)/C1=C\C=C\c1ccccc1 8573253 UULJYRGUMUVTHQ-BIMFAPAISA-N 332.359 3.747 10 40 EHCB O=C1/C(=C/c2cccc(F)c2)SC(=S)N1c1ccc(O)cc1 1249444 UNKBFMHVSLQSGT-ZROIWOOFSA-N 331.393 3.937 10 40 EHCB COc1ccc(/C=C2/C(=O)N(c3cccc(F)c3)N=C2C)c(OC)c1 100503918 LHARZUCLKVZYNT-RQZCQDPDSA-N 340.354 3.649 10 40 EHCB CCCN1C(=O)/C(=C/c2ccc(N3CCCC3)cc2)SC1=S 409341304 AYQNBCLICZFJKB-QINSGFPZSA-N 332.494 3.898 10 40 EHCB CC(C)CCN1C(=O)/C(=C\Nc2ccc(N(C)C)cc2)SC1=S 13734573 HPMGWDCGBOSUBZ-RVDMUPIBSA-N 349.525 3.912 10 40 EHCB O=C1/C(=C/c2ccco2)SC(=S)N1c1ccc([N+](=O)[O-])cc1 33924053 HCLXDURHBGFPJF-WQLSENKSSA-N 332.362 3.594 10 40 EHCB O=C(CCc1ccsc1)NCc1ccc(N2CCSCC2)cc1 54035414 FTLXGJAXHPWQRB-UHFFFAOYSA-N 346.521 3.550 10 40 EHCB CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)/C=C/c1ccccc1 21871268 HXNMSBGZSLAIOV-CCEZHUSRSA-N 344.480 3.575 10 40 EHCB CN(C)c1ccc(CNC(=O)c2cnc(-c3ccccc3)s2)cc1 36394120 XRDQZZHZAHJZGN-UHFFFAOYSA-N 337.448 3.806 10 40 EHCB CC1=NN(c2ccccc2)C(=O)[C@H]1/N=N/c1cc(-c2ccccc2)n[nH]1 102572082 YTIFJWOFZHKNJD-CCWVLBSLSA-N 344.378 3.952 10 40 EHCB Cc1cc(/C=C2/NC(=O)N(C)C2=O)c(C)n1-c1ccc2ccccc2c1 409193628 IDQYLNGWTYEAJM-XDHOZWIPSA-N 345.402 3.770 10 40 EHCB CC(C)(C)OC(=O)N1CCC[C@@H]([C@](O)(CN=[N+]=[N-])c2ccccc2)C1 72208097 QBPPHENVTFRNSY-QAPCUYQASA-N 346.431 3.832 10 40 EHCB O=C1/C(=C\c2cccnc2)SC(=S)N1CCc1ccccc1 4747776 PKNSQXWOSKEWFD-RVDMUPIBSA-N 326.446 3.526 10 40 EHCB COc1ccc(N(CCC(N)=O)Cc2cccc3ccccc23)cc1 8707957 QZFRXPOCPSWFRG-UHFFFAOYSA-N 334.419 3.730 10 40 EHCB C[C@H]1CN(c2ccc(CNC(=O)C3CCCCC3)cc2F)C[C@H](C)O1 48354854 IIUPPWSFSUEZKH-GJZGRUSLSA-N 348.462 3.636 10 40 EHCB CC(=O)N1N=C(c2ccccc2O)C[C@H]1c1ccc(Cl)c(F)c1 97105087 YOQMERRRKTWWDU-INIZCTEOSA-N 332.762 3.882 10 40 EHCB CC(C)Oc1ccc(/C=C2/SC(NC3CCCC3)=NC2=O)cc1 97152197 ISKCBPPHVHPRJI-LFIBNONCSA-N 330.453 3.976 10 40 EHCB Cc1ccc(C)n1-c1ccc(S(=O)(=O)Nc2ccccc2)cc1 58850346 WRGALYPCUSSESF-UHFFFAOYSA-N 326.421 3.895 10 40 EHCB CCN(CC)c1ccc(CNC(=O)[C@H](C)Oc2cccc(C)c2)cc1 222988925 DXLXHUZHTIDWQQ-KRWDZBQOSA-N 340.467 3.925 10 40 EHCB CCn1c(-c2ccccc2)cnc1SCC(=O)N[C@@H](C)C(C)C 7126668 ZDDHGVXRVYBUAW-AWEZNQCLSA-N 331.485 3.823 10 40 EHCB Cc1ccc(C(=O)O)cc1NC1=NC(=O)/C(=C/c2cccs2)S1 35043194 XBVWPECBDKCOEB-JYRVWZFOSA-N 344.417 3.837 10 40 EHCB CC(C)c1ccc(/C=C2/SC(=S)N(CCCC(=O)O)C2=O)cc1 4425610 VJYFDUMPUKFDCD-GXDHUFHOSA-N 349.477 3.876 10 40 EHCB COc1ccc(-c2coc3c(CN(C)C)c(O)cc(C)c3c2=O)cc1 8879936 IDSZAAGALPBCEO-UHFFFAOYSA-N 339.391 3.544 10 40 EHCB biogenic CC1=CSC2=NC(=O)/C(=C\c3cccn3-c3ccccc3)C(=N)N12 4909194 GEPDNRHBPMKRSY-PFHNUVSISA-N 334.404 3.644 10 40 EHCB COc1ccc(-c2ccc(CCC(=O)O)n2-c2ccccc2O)cc1 559689 SKZWXLRCKAXPDZ-UHFFFAOYSA-N 337.375 3.876 10 40 EHCB Cc1ccc(/C=C2\SC(=S)N(CCOc3ccccc3)C2=O)o1 13547156 BWSUCJYUNNSZIH-PTNGSMBKSA-N 345.445 3.868 10 40 EHCB CCCN(Cc1ccccc1O)C(=O)Nc1ccc(OC)cc1OC 71911704 HAZWYYBIAIAVOR-UHFFFAOYSA-N 344.411 3.854 10 40 EHCB CCCC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(/C)NCC(C)C 103917662 OCMOFHXEQKXWKS-JXAWBTAJSA-N 329.444 3.718 10 40 EHCB NC(=O)c1cccc2c1N[C@@H](c1cccc([N+](=O)[O-])c1)[C@H]1CC=C[C@H]21 4725827 ULMBGXXVZASLBH-ZQIUZPCESA-N 335.363 3.520 10 40 EHCB CCOc1c(/C=C2/C(=O)N(c3ccccc3)N=C2C)cccc1OC 35931 OTFUDDXYSXCGFI-GHRIWEEISA-N 336.391 3.900 10 40 EHCB Cc1cc(/C=C2/SC(NC3CCCCC3)=NC2=O)cc(C)c1O 96669700 CTZBVKSMOOJCFZ-XNTDXEJSSA-N 330.453 3.902 10 40 EHCB CN(C)c1ccc(/C=C2/SC(=S)N(c3cccnc3)C2=O)cc1 1015801 IYFMHJVLNPQYPE-XNTDXEJSSA-N 341.461 3.553 10 40 EHCB O=C(c1ccccc1)N1N=C(c2ccncc2)C[C@H]1c1ccccc1O 6590567 GPHNSFZOKJXIEK-IBGZPJMESA-N 343.386 3.779 10 40 EHCB COC(=O)C1=C(C)N(C2CCCC2)C(=O)/C1=C\c1ccc(C)cc1 14415154 LUIWKWAKNHWYTH-ATVHPVEESA-N 325.408 3.610 10 40 EHCB CN(Cc1ccccc1O)C(=O)N[C@@H]1CCCOc2ccc(F)cc21 54785172 NKCADTYBAXNNTG-MRXNPFEDSA-N 344.386 3.587 10 40 EHCB O=C1NC(=S)S/C1=C\c1cccc(OCc2cccc(F)c2)c1 408532219 SUCCZUCOWKJXHO-DHDCSXOGSA-N 345.420 3.894 10 40 EHCB Cc1cc2n(n1)[C@@H](c1ccc(N3CCOCC3)cc1)Nc1ccccc1-2 817692 GIBTVDYQSXKVEV-NRFANRHFSA-N 346.434 3.668 10 40 EHCB Oc1cc2c(cc1CN1CCC(Cc3ccccc3)CC1)OCO2 6997771 STLNREVXIQLXLG-UHFFFAOYSA-N 325.408 3.576 10 40 EHCB COc1cccc(/C=C2\C=C(c3ccc(F)cc3)OC2=O)c1OC 409051897 OHOCFFWKXAZKAW-GXDHUFHOSA-N 326.323 3.824 10 40 EHCB CCN(CCNC(=S)Nc1ccc(F)cc1)c1ccc(C)cc1 225792999 YVMQRMCVXPMGPR-UHFFFAOYSA-N 331.460 3.947 10 40 EHCB CCN1C(=O)/C(=C/c2cccn2-c2ccc(F)cc2)SC1=S 6350232 XVEYLRSQMFEIAJ-UVTDQMKNSA-N 332.425 3.838 10 40 EHCB COc1ccc(N2CCN(c3ccc([N+](=O)[O-])cc3Cl)CC2)cc1 8687627 PZUBJSHMNUGMAZ-UHFFFAOYSA-N 347.802 3.583 10 40 EHCB O=C1/C(=C\c2ccco2)SC(=S)N1c1cccc([N+](=O)[O-])c1 113834414 HLISACBZGBIPCG-XYOKQWHBSA-N 332.362 3.594 10 40 EHCB Cc1ccc(/C=C2/SC(=S)N(CNc3cccnc3)C2=O)cc1 5337296 QOZDLXQSCYISOT-OQLLNIDSSA-N 341.461 3.661 10 40 EHCB O=C1N=C(N2N=C(c3ccccc3)C[C@H]2c2ccccc2O)CS1 40914557 MIPANFMDESCNBQ-HNNXBMFYSA-N 337.404 3.809 10 40 EHCB O=C(O)/C=C\c1ccc(N=[N+]([O-])c2ccc(/C=C/C(=O)O)cc2)cc1 104344665 MYLSINGHPQBDKM-ZHWZHSMTSA-N 338.319 3.808 10 40 EHCB Cc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)c(C)n1C 408963926 JYBQLPZLKWHIPR-GDNBJRDFSA-N 347.340 3.990 10 40 EHCB OC1CCN(c2ccc(CNc3nc4ccccc4o3)cc2F)CC1 48234524 SFGKUKJZTQDZFX-UHFFFAOYSA-N 341.386 3.540 10 40 EHCB CCOC(=O)CC1(c2ccc(C)cc2C)C(=O)c2ccccc2C1=O 59565390 YFBQJHIFLWTUKD-UHFFFAOYSA-N 336.387 3.574 10 40 EHCB CCN1C(=O)C2(CCCCC2)N[C@@H]1c1ccc(N2CCCCC2)cc1 75572698 SUZWSYYJJQQCJU-IBGZPJMESA-N 341.499 3.830 10 40 EHCB CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)NCC(C)C 103917676 QXSQCKILPXLDQR-LGMDPLHJSA-N 344.415 3.617 10 40 EHCB O=C1/C(=C\c2cccc(O)c2)C(C(F)(F)F)=NN1c1ccccc1 408972048 OXWJLDQLYYSQKI-UVTDQMKNSA-N 332.281 3.741 10 40 EHCB COc1ccc(N2CCC(NC(=O)c3c(C)oc(C)c3C)CC2)cc1 65594211 UXRBBERQENXSHS-UHFFFAOYSA-N 342.439 3.612 10 40 EHCB Cc1cn2c(n1)[C@H](CNCc1ccc(N3CCCCC3)cc1)CCC2 89702122 WUMPKPHEEULEFO-IBGZPJMESA-N 338.499 3.849 10 40 EHCB O=C1/C(=C/C=C/c2ccco2)SC(=S)N1c1cccc(O)c1 5375822 UDWAAPWKAAZYOG-NTOUICHMSA-N 329.402 3.947 10 40 EHCB CCOc1nc(N)nc(C)c1/N=N\c1ccc(Br)cc1 104237228 VFWCXNVEPUCKEV-HNENSFHCSA-N 336.193 3.944 10 40 EHCB CSc1ccc(C=C2C(=O)OC(c3ccccc3)OC2=O)cc1 2453329 LEXUBEQNECMVSA-UHFFFAOYSA-N 326.373 3.591 10 40 EHCB COCCNC(=S)Nc1ccc(Cl)cc1C(=O)c1ccccc1 3277039 VITMRGFJXXQRMS-UHFFFAOYSA-N 348.855 3.504 10 40 EHCB Cc1cc(C(=O)CSc2nccn2C)c(C)n1-c1cccc(F)c1 6360753 WKJPTXXWAGSQTP-UHFFFAOYSA-N 343.427 3.942 10 40 EHCB Cc1cc(/C=C2/C(=O)N(c3ccccc3)C(=O)N=C2O)cc(C)c1O 38176724 DGUBTWBYRRBHAT-XNTDXEJSSA-N 336.347 3.516 10 40 EHCB CCOc1ccc(O)c(CN[C@H](C)c2cccc(NC(C)=O)c2)c1 78394087 XUBDRVKSUNVUMI-CYBMUJFWSA-N 328.412 3.600 10 40 EHCB Oc1c(Cl)cc(Cl)cc1CNCc1cccnc1-n1cccn1 78394090 RAYPSBKGFRSIEA-UHFFFAOYSA-N 349.221 3.570 10 40 EHCB CCOc1ccccc1-c1nc2c(s1)C(=O)c1ccccc1C2=O 408481 GOUFDSJOPONWJD-UHFFFAOYSA-N 335.384 3.984 10 40 EHCB C[C@H]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(N(C)C)cc2)N3)C1 2492909 WJTMEJQKQJALTH-APPDUMDISA-N 341.480 3.793 10 40 EHCB O=[N+]([O-])c1cn(CCNc2c3ccccc3nc3ccccc23)cn1 4649879 LPFWNFRRRQYCJR-UHFFFAOYSA-N 333.351 3.605 10 40 EHCB O=C1/C(=C\c2cccn2-c2ccccc2F)N=C(O)N1c1ccccc1 9015738 UBUIGERGVJBIJL-GHRIWEEISA-N 347.349 3.918 10 40 EHCB O=C(NCc1ccc(N2CCCCC2)cc1)c1ccc([N+](=O)[O-])cc1 13668985 NDCMUPXQTQBGFV-UHFFFAOYSA-N 339.395 3.515 10 40 EHCB Oc1ccccc1CN[C@@H]1CCCc2c1cnn2Cc1ccccc1 69566358 HDFMBXRBPULTTP-LJQANCHMSA-N 333.435 3.804 10 40 EHCB N=NC(O)=C1C=CN(CC(=O)c2ccc(Br)cc2)C=C1 334160375 CIABFAYMCUOVHC-UHFFFAOYSA-N 334.173 3.775 10 40 EHCB CC[C@H](C)c1ccccc1NS(=O)(=O)c1cccc2nonc12 14256352 YVYMOHLZVNNXKC-NSHDSACASA-N 331.397 3.537 10 40 EHCB Cc1ccccc1-n1c(C)cc(C(=O)NO[C@H]2CCCCO2)c1C 72059991 QOOCSQCMTXLWSE-SFHVURJKSA-N 328.412 3.591 10 40 EHCB CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C\NC(=O)Nc1ccccc1 102522397 VMJCQUDQHNDTJG-PDGQHHTCSA-N 348.406 3.732 10 40 EHCB COc1ccccc1N[C@H]1SC(=O)N(c2ccc(C)c(C)c2)C1=O 5013307 BMOCOBUOZULINC-INIZCTEOSA-N 342.420 3.950 10 40 EHCB COc1ccc(OC)c(/C=C2/SC(N3CCCC[C@H]3C)=NC2=O)c1 59497981 RVSVSTADFAFNNA-PILJQMSFSA-N 346.452 3.549 10 40 EHCB COc1ccc(N2CCC(NC(=O)Nc3ccccc3C)CC2)cc1 69557365 QQNJWLOUZLCGAH-UHFFFAOYSA-N 339.439 3.794 10 40 EHCB O=C1/C(=C\c2cccc(F)c2)SC(=S)N1C(=O)c1ccccc1 408719043 HHXPDBLUAKFCKB-GXDHUFHOSA-N 343.404 3.867 10 40 EHCB CN(C)c1ccc([C@@H]2NC(=O)c3c(sc4c3CCCC4)N2)cc1 2474185 DNHHQXPRORSIHK-MRXNPFEDSA-N 327.453 3.547 10 40 EHCB biogenic Cc1ccc(C)n1N1C(=O)/C(=C/c2ccccc2F)SC1=S 5241101 BASARZWYCOKAIH-ZROIWOOFSA-N 332.425 3.781 10 40 EHCB Cc1nnc(S/C(=C/c2ccc(N3CCCC3)c(C)c2)C(=O)O)o1 7365760 IXDWDDPKLNCEEF-XNTDXEJSSA-N 345.424 3.504 10 40 EHCB CN(C)c1ccc(CNC(=O)Cc2cccc(C(F)(F)F)c2)cc1 8170793 ZVDPEWQMCKTOOB-UHFFFAOYSA-N 336.357 3.630 10 40 EHCB Cc1cc(C(=O)N[C@@H](CCO)C(C)(C)C)c(C)n1-c1ccccc1 95993446 DXVUEJPUMNDASK-SFHVURJKSA-N 328.456 3.621 10 40 EHCB Cc1cc(C)c(O)c(CNCCCNCc2cc(C)cc(C)c2O)c1 1718688 ZGMBCDNEUNWSPL-UHFFFAOYSA-N 342.483 3.601 10 40 EHCB Cc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2c2ccccc2)nn1C 6787237 INYDEZHBTIKBOK-XMHGGMMESA-N 342.402 3.563 10 40 EHCB CCN(CC)c1ccc(CNC(=O)CCc2ccc(F)cc2)cc1 224445620 FIBDZWAMGWWQDC-UHFFFAOYSA-N 328.431 3.921 10 40 EHCB O=C([C@@H]1C[C@H]1c1cccnc1)N(Cc1ccco1)Cc1ccccc1O 69975212 PPOPCODETVKEFA-RBUKOAKNSA-N 348.402 3.713 10 40 EHCB CCN1CCc2c(sc3c2C(O)=N[C@H](c2ccc(C)cc2O)N3)C1 4556159 SQFDJBXSNGOISE-INIZCTEOSA-N 343.452 3.569 10 40 EHCB CCCCCN1C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)SC1=S 2666911 RZINIOGJBKDVRZ-RAXLEYEMSA-N 336.438 3.986 10 40 EHCB O=[N+]([O-])c1cc(CNCCc2ccccc2)ccc1N1CCCCC1 24631072 VWFNLVIFVIJUTL-UHFFFAOYSA-N 339.439 3.917 10 40 EHCB O=C(O)c1ccc([C@@H]2Nc3ccc(C(=O)O)cc3[C@H]3C=CC[C@@H]32)cc1 36081458 NOOGFRZLFMBLBG-MPGHIAIKSA-N 335.359 3.910 10 40 EHCB COc1ccc(N2CCCN(CCOc3ccc(C)cc3)CC2)cc1 84157208 ATVNQKZBDJHVNR-UHFFFAOYSA-N 340.467 3.595 10 40 EHCB CCN1C(=O)/C(=C\c2ccc(OC(F)F)c(OC)c2)SC1=S 5868329 YDELTNHHKURKJP-YRNVUSSQSA-N 345.392 3.518 10 40 EHCB CN(C)c1ccc(/C=C2\SC(NCc3ccccc3)=NC2=O)cc1 16901274 MZALXMDFGMVKND-ATVHPVEESA-N 337.448 3.513 10 40 EHCB COc1cc(Br)c(N2CCCC[C@@H]2C)c([N+](=O)[O-])c1 45886302 LHSQVQWSIVEEDX-VIFPVBQESA-N 329.194 3.745 10 40 EHCB O=C(O)/C=C/c1ccc(-c2cccc3c2C(=O)c2ccccc2C3=O)o1 584904514 BYPYRNHGNUEFOB-PKNBQFBNSA-N 344.322 3.820 10 40 EHCB C[C@H]1CCCN(Cc2c(O)c(Cl)cc3c4c(c(=O)oc23)CCC4)C1 19913148 AHKMKPDAZASEIB-NSHDSACASA-N 347.842 3.873 10 40 EHCB CCOc1cc(/C=C2/SC(=S)N(CC)C2=O)cc(Cl)c1O 33315691 BYVWTLUIJSVEAK-YRNVUSSQSA-N 343.857 3.665 10 40 EHCB CCOc1cccc(CN[C@@H](C)c2ccc(OC)c(OC)c2)c1O 98212995 RNHGBVPPUDEVCZ-ZDUSSCGKSA-N 331.412 3.659 10 40 EHCB Cc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc(C(C)C)cc3)C2=O)c1 408739420 BRTVESCOTKZTJM-LDADJPATSA-N 348.402 3.785 10 40 EHCB CCc1ccc(N2C(=O)/C(=C\c3cccn3C)SC2=S)cc1 5371632 PPYHSFIGOUDLCW-RVDMUPIBSA-N 328.462 3.993 10 40 EHCB Cc1cc(/C=C2/SC(=O)N(C(C)C)C2=O)c(C)n1-c1ccccn1 981444 ARZWTGUPDHMLCX-XNTDXEJSSA-N 341.436 3.934 10 40 EHCB Oc1ccc(Br)cc1CNCc1cc(F)cc(F)c1 40477071 WNPLJEXKXPAVGG-UHFFFAOYSA-N 328.156 3.723 10 40 EHCB CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C/Nc1cccc(C(=O)O)c1 100041150 SAJLYNWOIPSCCE-WOJGMQOQSA-N 349.390 3.720 10 40 EHCB O=C1/C(=C/c2ccc3c(c2)OCO3)SC(=S)N1C1CCCCC1 1091463 GSHNXBHHDWKLDN-DHDCSXOGSA-N 347.461 3.949 10 40 EHCB CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@H](C)c1ccccn1 71913616 MAAQIIUIRFWUCZ-MRXNPFEDSA-N 340.471 3.829 10 40 EHCB COC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1sccc1C 408996299 CXCYMMRCJSKTRA-PTNGSMBKSA-N 339.416 3.934 10 40 EHCB CO[C@@H](C)C(=O)N[C@@H](c1ccccc1)c1c(O)ccc2ccccc12 57995877 BTSRRYPCNHWVPH-XOBRGWDASA-N 335.403 3.786 10 40 EHCB CCOC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1cccc(C)c1 408589010 XVZIJPQOIWVKTB-BOPFTXTBSA-N 327.424 3.714 10 40 EHCB Cc1cc(C)c(O)c(C2=NN[C@@H](c3ccc(Br)o3)C2)c1 4423354 CVDDLJMDFOXTFU-GFCCVEGCSA-N 335.201 3.803 10 40 EHCB Cc1n[nH]c(C)c1/C=C1\SC(=S)N(c2ccc(F)cc2)C1=O 40139646 OYHUBFCBBDLZDO-QPEQYQDCSA-N 333.413 3.571 10 40 EHCB CN(C)c1ccc(CN(C(=O)c2ccccc2)c2ccccn2)cc1 28286944 VRHBFTZUZPNCDX-UHFFFAOYSA-N 331.419 3.995 10 40 EHCB CCN1C(=O)S/C(=C/c2ccc(N3CCCCC3)c(F)c2)C1=O 409068790 VTCVGGGVUBJBHB-RVDMUPIBSA-N 334.416 3.872 10 40 EHCB O=C1Nc2ccc(Cl)cc2/C1=C\c1ccc(N2CCOCC2)cc1 3280660 DVKIICSQTRTPIE-GZTJUZNOSA-N 340.810 3.669 10 40 EHCB Cn1ncc2c1CCC[C@@H]2NCc1cc(Cl)cc(Cl)c1O 37087357 XQQBKAYQGIQXRX-ZDUSSCGKSA-N 326.227 3.600 10 40 EHCB COC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1C(=O)O)N2 409166492 CSLKAHOMMTWXRL-TYILLQQXSA-N 349.386 3.998 10 40 EHCB CN(Cc1cc(Br)ccc1O)C(=O)Oc1ccccc1 3851241 QCFUARLVDBWUAT-UHFFFAOYSA-N 336.185 3.786 10 40 EHCB biogenic CN(C)c1ccc(/C=C2\SC(=S)N(c3cccnc3)C2=O)cc1 14086299 IYFMHJVLNPQYPE-GDNBJRDFSA-N 341.461 3.553 10 40 EHCB COc1ccc(/C=C2\C=C(c3ccc(F)cc3)OC2=O)cc1[N+](=O)[O-] 409051807 CWWOIXVBZBPLEX-MDWZMJQESA-N 341.294 3.724 10 40 EHCB COc1cc(/C=C2\C=C(c3ccccc3)OC2=O)cc(OC)c1OC 200043 CBLVQBMXXKVHBY-OQLLNIDSSA-N 338.359 3.694 10 40 EHCB O=C1N=C(O)/C(=C/Nc2cccc(F)c2)C(=O)N1C1CCCCCC1 103116970 LBPIMQOFKBDPBH-PTNGSMBKSA-N 345.374 3.763 10 40 EHCB O=C1N=C(Nc2ccccc2C(=O)O)S/C1=C/c1ccccc1F 35043258 RBKPQVYHLNICQY-NTEUORMPSA-N 342.351 3.606 10 40 EHCB O=C1N=C(Nc2cccnc2)S/C1=C\c1ccc2ncccc2c1 54360789 OGCPDQPXGHRRAQ-YBEGLDIGSA-N 332.388 3.712 10 40 EHCB O=C1NC(=S)N=C(O)/C1=C\c1cccc2cc3ccccc3cc12 1580992 VZXTYHSPZZIJRW-UHFFFAOYSA-N 332.384 3.748 10 40 EHCB in-vitro Cc1nn(-c2ccccc2)c(C)c1NC(=O)CSc1nccs1 32932270 FDAWUDHXNFBPOE-UHFFFAOYSA-N 344.465 3.676 10 40 EHCB Cc1cc(CN2CC[C@](O)(c3ccccc3)C2)ccc1N1CCCC1 12241313 MHRJBOSTUWYAQF-JOCHJYFZSA-N 336.479 3.689 10 40 EHCB CN(C)c1ccc(CN2CC[C@H](c3nc4cc(F)ccc4[nH]3)C2)cc1 49169000 NJBSSJMSDXZFEO-HNNXBMFYSA-N 338.430 3.758 10 40 EHCB biogenic,in-vitro O=C(NCc1ccccn1)N(Cc1ccccc1O)C1CCCCC1 71913551 NDSKEJWPRSHAOG-UHFFFAOYSA-N 339.439 3.832 10 40 EHCB COC[C@@H](C)N1C(=O)/C(=C/c2cc3ccccc3o2)SC1=S 96935954 CBRIMRDVPSPDPY-DOQDJBIESA-N 333.434 3.669 10 40 EHCB CCOc1ccc(N2C(=O)/C(=C/c3cccnc3)SC2=S)cc1 1746440 XZHLANLDWFEBRY-GDNBJRDFSA-N 342.445 3.886 10 40 EHCB CC[C@@H](C)[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccccc2C)SC1=S 5373415 UCYRXXMLAQELET-OIQXIXSWSA-N 349.477 3.696 10 40 EHCB CN(C)c1ccc(/C=C(\Cl)c2nc3ccccc3c(=O)[nH]2)cc1 12533870 QJGBFZVCKGWTRW-PTNGSMBKSA-N 325.799 3.726 10 40 EHCB COc1cccc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)c1 13597291 ZVEVLJTZRORWJQ-ZROIWOOFSA-N 331.418 3.690 10 40 EHCB C[C@@H]1Oc2ccccc2C=C1/C=C1\SC(Nc2cccnc2)=NC1=O 54361095 VFUOQVKNQAJQFK-NJPLLEPOSA-N 349.415 3.871 10 40 EHCB CCc1ccc(NC(=S)NCCN(C)c2ccc(C)cc2)cc1 225795383 ZBUJNFXXJIEMMW-UHFFFAOYSA-N 327.497 3.980 10 40 EHCB CC1=NN(c2cccc(C)c2)C(=O)/C1=C\Nc1cc(C(=O)O)ccc1C 408527589 DRHPAXPHVNHLRX-BOPFTXTBSA-N 349.390 3.720 10 40 EHCB O=c1[nH]c(-c2sc3ncccc3c2O)nc2cc(Cl)ccc12 6550305 TVPFGEDLXOHWBF-UHFFFAOYSA-N 329.768 3.559 10 40 EHCB O=C1N=C(Nc2ccccn2)S/C1=C\c1ccnc2ccccc12 54360863 HDUDVNSOOZQFAN-PTNGSMBKSA-N 332.388 3.712 10 40 EHCB Cc1cccc(NC(=O)C[C@@H]2SC(=O)N(c3ccccc3)C2=O)c1 1013818 AYUAUOZBIOAQTG-HNNXBMFYSA-N 340.404 3.592 10 40 EHCB Cc1ccc(C)n1-c1ccc(C(=O)NCc2ccc3c(c2)OCO3)cc1 5699470 PUNIFBJXDGIUNM-UHFFFAOYSA-N 348.402 3.753 10 40 EHCB Cc1nnc(S/C(=C/c2ccc(N3CCCC3)cc2C)C(=O)O)o1 7365762 VORWNISYNZXDKB-XNTDXEJSSA-N 345.424 3.504 10 40 EHCB O=C1/C(=C\c2ccc(O)cc2)C(C(F)(F)F)=NN1c1ccccc1 19893882 FXSOBFANLOWZNC-UVTDQMKNSA-N 332.281 3.741 10 40 EHCB Cc1ccc(C(=O)COC(=O)c2sc3nc(C)ccc3c2N)cc1 13575239 XHYIVIHBURPBAI-UHFFFAOYSA-N 340.404 3.535 10 40 EHCB CCc1ccc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc1 9188339 JFFKZDYXRUSXRQ-MKRLJBPISA-N 333.478 3.629 10 40 EHCB CCOc1ccc(/C=C2/SC(=S)N(CC)C2=O)cc1OCC 15011446 SCLSZHIZEWWQPF-GXDHUFHOSA-N 337.466 3.705 10 40 EHCB Cc1cc(O)ccc1NS(=O)(=O)c1cc(Cl)ccc1Cl 78005182 YLGCYBYXLMVZDS-UHFFFAOYSA-N 332.208 3.808 10 40 EHCB Cc1ccc(CN[C@H](C)c2ccc(N3CCC(O)CC3)cc2)s1 95420457 XOEGIUDEONAZKQ-OAHLLOKOSA-N 330.497 3.868 10 40 EHCB O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(Cl)cc(O)c1O 2362797546 CFBQBYWTAGJVFT-UHFFFAOYSA-N 343.122 3.565 10 40 EHCB CC(=O)c1cccc(N2C(=O)/C(=C/c3ccccn3)SC2=S)c1 16789992 PQZNOFROIFWYNP-GDNBJRDFSA-N 340.429 3.690 10 40 EHCB COc1ccc2c(c1)C(C)(C)C(/C=C/c1cnc(N(C)C)s1)=[N+]2C 255190762 ZGTOHSMPRONEJS-UHFFFAOYSA-N 342.488 3.937 10 40 EHCB CCOc1ccc(/C=C2/C(=O)N(C(=O)c3ccccc3)N=C2C)cc1 408939230 LYGGJWRRIWXMIL-QGOAFFKASA-N 334.375 3.527 10 40 EHCB Cc1cccc(/N=N/N(C)c2c(C)n(C)n(-c3ccccc3)c2=O)c1 5364221 SDGSFDQNNUQVGD-QZQOTICOSA-N 335.411 3.928 10 40 EHCB COc1ccc(/C=C2/SC(Nc3ccc(OC)cc3)=NC2=O)cc1 7275341 VSAGMEZNFORFFX-LFIBNONCSA-N 340.404 3.786 10 40 EHCB O=C(NCc1ccc(N2CCCC2)cc1)c1cc(-c2ccccc2)on1 28331523 UPYRYTRQVAOXSS-UHFFFAOYSA-N 347.418 3.872 10 40 EHCB COc1cc(Br)c(N2CCCC[C@H]2C)c([N+](=O)[O-])c1 45886298 LHSQVQWSIVEEDX-SECBINFHSA-N 329.194 3.745 10 40 EHCB CN(Cc1ccccc1O)C(=O)c1ccccc1NC(=O)C(C)(C)C 84169044 RZAOYFWXZHRUHZ-UHFFFAOYSA-N 340.423 3.649 10 40 EHCB CCN(CC)c1ccc(CNC(=O)c2ccc(OC)c(F)c2)cc1 225398256 FKIVSBOXPZVSQC-UHFFFAOYSA-N 330.403 3.611 10 40 EHCB CC1=NN(c2cccc(C)c2)C(=O)/C1=C\Nc1ccc([N+](=O)[O-])cc1 408534416 VNEKGBJGJJWZSA-BOPFTXTBSA-N 336.351 3.622 10 40 EHCB Cc1cc2oc(=O)c(C)c(C)c2c(O)c1C1=NN[C@@H](c2ccccc2)C1 12296683 UWQBFNZVNWTMNH-OAHLLOKOSA-N 348.402 3.863 10 40 EHCB biogenic CCOC(=O)CC1(c2cccc(C)c2C)C(=O)c2ccccc2C1=O 408733927 RWSYMQKKXUULEV-UHFFFAOYSA-N 336.387 3.574 10 40 EHCB COC(=O)c1ccc(-n2c(CCC(=O)O)ccc2-c2ccccc2)cc1 2621727 RMPRYRFAYKRHCQ-UHFFFAOYSA-N 349.386 3.948 10 40 EHCB CCN1C(=O)/C(=C\c2ccc(F)c(Br)c2)SC1=S 5201083 VMPCRVOQEFXATB-UXBLZVDNSA-N 346.246 3.809 10 40 EHCB COc1cccc2c(O)c([C@@H](c3ccccc3)N3CCOCC3)ccc12 20650805 OHQSJCRORBNGOJ-OAQYLSRUSA-N 349.430 3.976 10 40 EHCB C[C@@H](Oc1cccc(Cl)c1)C(=O)N(C)Cc1ccc(N(C)C)cc1 28336216 ASTNKBQWDVZGFY-CQSZACIVSA-N 346.858 3.832 10 40 EHCB C[C@H](Cc1nc(-c2ccc(O)c(O)c2)cs1)n1cc(Cl)cn1 58193933 LXNSURPNOVDRSO-SECBINFHSA-N 335.816 3.875 10 40 EHCB CCOc1nnc(CSc2ncc(-c3ccccc3)n2C)s1 57997399 HUTPOBUGDTVNLR-UHFFFAOYSA-N 332.454 3.630 10 40 EHCB O=C(NCCCSc1nccs1)C12CC3CC(CC(C3)C1)C2 78713577 GIGGJINXMYMVPU-UHFFFAOYSA-N 336.526 3.958 10 40 EHCB O=C1/C(=C\c2ccc([N+](=O)[O-])o2)SC(=S)N1c1ccccc1 15011695 BBUPARLMPYRUDR-DHZHZOJOSA-N 332.362 3.594 10 40 EHCB Cc1cccc(NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c1 40123027 OQXVDNPQPRTWRO-GOSISDBHSA-N 340.423 3.914 10 40 EHCB CCN(CC)c1ccc(CNC(=O)[C@@H](C)Oc2ccccc2C)cc1 222742571 LXHKDRMIPHPNBD-QGZVFWFLSA-N 340.467 3.925 10 40 EHCB O=C1N=C(O)/C(=C\c2c[nH]c3ccccc23)C(=O)N1c1ccc(F)cc1 2276185 JUROALIXSCBFKT-OQLLNIDSSA-N 349.321 3.814 10 40 EHCB O=C1N=C(Nc2ccccc2C(=O)O)S/C1=C/c1ccc(F)cc1 35043282 UKMAYAPSXMGZAC-NTEUORMPSA-N 342.351 3.606 10 40 EHCB CN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1C[C@@H]1c1cccc(F)c1 67140908 VCMSEBFJEXFQAK-MOPGFXCFSA-N 326.415 3.654 10 40 EHCB CC[C@@H](C(=O)O)N1C(=O)/C(=C\C(C)=C\c2ccccc2)SC1=S 17268560 KJENGCMUGBOVLB-SZZFVQSKSA-N 347.461 3.697 10 40 EHCB COc1ccc(C2=NN[C@@H](c3cc(Br)ccc3O)C2)cc1 568012 LFEPVZOBWSQTMH-OAHLLOKOSA-N 347.212 3.602 10 40 EHCB COC(=O)C1=C(C)N(C(C)C)C(=O)/C1=C\c1cccc2ccccc12 59959483 OQLNAUQCGLDCAR-PDGQHHTCSA-N 335.403 3.921 10 40 EHCB Cc1ccc(/C=C2/SC(Nc3cc(C(=O)O)ccc3C)=NC2=O)o1 54164361 CELLWBAEMMMPPR-RIYZIHGNSA-N 342.376 3.677 10 40 EHCB CCN(CC)c1ccc(CN(C)C(=O)c2ccc3[nH]cnc3c2)cc1 9931414 PWNZETUMBPLQSQ-UHFFFAOYSA-N 336.439 3.681 10 40 EHCB CCN(CC)CCCN1C(=O)/C(=C/c2ccccc2)SC1=S 2397521 JFDODCZINUYBNK-SQFISAMPSA-N 334.510 3.620 10 40 EHCB CN(/N=N/c1nonc1-c1ccccc1)c1nonc1-c1ccccc1 4109493 FUPIBBUGTIYGBU-PTGBLXJZSA-N 347.338 3.922 10 40 EHCB CCOC(=O)c1ccc(NC(=O)c2ccc(/N=N/N(C)C)cc2)cc1 4603380 VMNBSTWGMNKOOW-QZQOTICOSA-N 340.383 3.676 10 40 EHCB CCCC(=O)N1N=C(c2cccs2)C[C@@H]1c1cccc(OC)c1O 9970817 HSDZLAYZLVEBRG-CQSZACIVSA-N 344.436 3.940 10 40 EHCB COc1ccccc1NC1=NC(=O)/C(=C\c2ccccc2F)S1 35647236 SZPPOTKQFNKLCJ-XNTDXEJSSA-N 328.368 3.917 10 40 EHCB CCc1nnc(S/C(=C\c2ccc(N(CC)CC)cc2)C(=O)O)o1 213601513 ZLKQWNBQZSICMS-KAMYIIQDSA-N 347.440 3.696 10 40 EHCB CCOc1ccc(N2C(=O)/C(=C/c3cccn3C)SC2=S)cc1 2345342 AGFLVCOERYOKSP-PTNGSMBKSA-N 344.461 3.830 10 40 EHCB O[C@]1(c2ccccc2)CN(c2ccc(Cl)cc2)C2=[N+]1CCCS2 2966007 RCQNJIHIUFNCDD-SFHVURJKSA-N 345.875 3.511 10 40 EHCB COc1ccc(N(Cc2ccco2)Cc2nnc(C3CC3)o2)cc1F 72682509 SNPXDAZJYXAADR-UHFFFAOYSA-N 343.358 3.895 10 40 EHCB CCN(CC)c1ccc(CNC(=O)CSc2ccccc2)cc1 225660131 CQSFGPYIOSYLIQ-UHFFFAOYSA-N 328.481 3.941 10 40 EHCB COCCn1c(-c2ccc(O)c(O)c2)csc1=Nc1ccccc1 584906141 HDLOISSFUIXAFM-UHFFFAOYSA-N 342.420 3.507 10 40 EHCB CCOc1ccc(N2C(=O)/C(=C\c3ccncc3)SC2=S)cc1 5840429 XDWPLDVLWUCHOR-RVDMUPIBSA-N 342.445 3.886 10 40 EHCB COC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1ccc(O)cc1 408892572 ILEPEYYZNQYTOM-PDGQHHTCSA-N 349.386 3.578 10 40 EHCB COc1ccc(/C=C2/C=C(c3ccc(F)cc3)OC2=O)cc1OC 4689862 YAFGLTLZXBUTKT-ZROIWOOFSA-N 326.323 3.824 10 40 EHCB COc1ccccc1N[C@@H]1SC(=O)N(c2ccc(C)c(C)c2)C1=O 5013299 BMOCOBUOZULINC-MRXNPFEDSA-N 342.420 3.950 10 40 EHCB CC(=O)c1sc2[n+](c1C)C(=O)/C(=C/c1ccccc1Cl)S2 6483827 VOSPTOAMNUGYRV-GHXNOFRVSA-N 336.845 3.987 10 40 EHCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc2ccc(C)cc2[nH]c1=O 21581204 CEACDUIOMMXLJW-LDADJPATSA-N 343.386 3.643 10 40 EHCB CC1(C)[C@@]2(C(=O)Oc3ccc4ccccc4c3)CC[C@@]1(C)C(=O)C2=O 100868438 MYHLUVCRMZVOLI-SFTDATJTSA-N 336.387 3.710 10 40 EHCB COc1ccc(N2C(=O)/C(=C\c3ccccc3O)SC2=S)cc1 4508937 CXMKIHJMSMWYJS-XNTDXEJSSA-N 343.429 3.807 10 40 EHCB COc1cccc(/C=C2\SC(=S)N(C3CCCC3)C2=O)c1OC 4745836 UXBPOSIJVDWIJK-UVTDQMKNSA-N 349.477 3.848 10 40 EHCB CC(C)(C)c1n[nH]cc1CNCc1ccc(N2CCSCC2)cc1 97159161 PVOLAHCLSZOOCJ-UHFFFAOYSA-N 344.528 3.550 10 40 EHCB O=C1/C(=C/c2ccccc2)SC(=S)N1CCOc1ccccc1 9188765 BQMJWGSYDINHOC-SSZFMOIBSA-N 341.457 3.967 10 40 EHCB CCOc1cccc(CN[C@@H](C)c2cc(OC)c(OC)cc2C)c1O 78394099 ZLNRBJZLYGBNEP-AWEZNQCLSA-N 345.439 3.967 10 40 EHCB CC(=O)C(C)(c1ccc([N+](C)(C)C)cc1)c1ccc([N+](C)(C)C)cc1 1656002 OZPTWOIRDYKIGW-UHFFFAOYSA-N 340.511 3.975 10 40 EHCB Oc1ccccc1CNc1cc(C(F)(F)F)nc(-c2cccnc2)n1 71909837 ZVGJDWYTEFCJEM-UHFFFAOYSA-N 346.312 3.875 10 40 EHCB CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C/Nc1ccc(O)cc1 100957275 TWGUMOQQLBMCQH-MHWRWJLKSA-N 327.771 3.764 10 40 EHCB CC(=O)Nc1ccc(N2N=C(C)[C@H](/N=N/c3ccccc3)C2=O)cc1 101504067 CWPUTESRMBVLGF-UAFUQJIBSA-N 335.367 3.520 10 40 EHCB Cc1ccccc1/C=C1\SC(=S)N(CN2CCCCC2)C1=O 103838894 NOQJFPJYFZPVBF-PTNGSMBKSA-N 332.494 3.640 10 40 EHCB Cc1ccc(Nc2c(-c3ccc(O)c(O)c3)nc3ncccn23)cc1 35606425 RJAXXGOLYPTTPO-UHFFFAOYSA-N 332.363 3.860 10 40 EHCB O=C1N=C(Nc2ccc3c(c2)OCO3)S/C1=C\C=C\c1ccco1 5374547 PPOQREZYJYWMDR-JPAWQYAOSA-N 340.360 3.647 10 40 EHCB CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc2c(c1)OCO2 100048183 AKQBLOWKUCNKRB-VIZOYTHASA-N 340.766 3.875 10 40 EHCB Oc1ccccc1CNCCCCCCNCc1ccccc1O 2343991 DHSAOPPPTOFPHV-UHFFFAOYSA-N 328.456 3.538 10 40 EHCB CCN1C(=O)/C(=C\c2cc(C)n(Cc3ccco3)c2C)SC1=S 23200488 XMDIBFZPXDCSJM-OQLLNIDSSA-N 346.477 3.967 10 40 EHCB COC(=O)c1cccc(NCc2cc(Br)ccc2O)c1 44836174 JRIWWMMLKNLKDH-UHFFFAOYSA-N 336.185 3.553 10 40 EHCB Cc1nn(C)cc1/C=C1/SC(=S)N([C@@H](C)c2ccccc2)C1=O 2787034 PXUFNLKJDSMICF-DGGAMASNSA-N 343.477 3.691 10 40 EHCB O=[N+]([O-])c1cc(CNCc2ccccc2)ccc1N1CCCCC1 6787284 MSJRXGIKJOBUNR-UHFFFAOYSA-N 325.412 3.875 10 40 EHCB O=C1[C@@H](Cc2ccc(Cl)cc2)SC(=S)N1Cc1cccnc1 6970955 QEZDZILEMUKPSU-CQSZACIVSA-N 348.880 3.707 10 40 EHCB C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc2c(c1)C(=O)c1ccccc1C2=O 12417748 OIGBFUYSVIRKGB-YJYMSZOUSA-N 347.414 3.771 10 40 EHCB COC(=O)c1sc2c(cnc3ccc(Br)cc32)c1O 40175594 GTIWPIOGDHUCEV-UHFFFAOYSA-N 338.182 3.704 10 40 EHCB Cc1ccc(C)n1-c1ccc(C(=O)NN2Cc3ccccc3C2=N)cc1 102187653 VDMSWDHETHHQNG-UHFFFAOYSA-N 344.418 3.580 10 40 EHCB CCOC(=O)CN1C(=O)/C(=C/c2ccc(C(C)C)cc2)SC1=S 1277097 LEXFSEUWUFLHNX-ZROIWOOFSA-N 349.477 3.574 10 40 EHCB CCN(CC)Cc1c(O)ccc2oc(C)c(C(=O)NC3CCCC3)c12 5182442 OJWKFKRGBUIKFM-UHFFFAOYSA-N 344.455 3.961 10 40 EHCB CN(C)Cc1c(O)c(Cl)cc2c(-c3ccccc3)cc(=O)oc12 19789429 GKQNWOIDXNKHFQ-UHFFFAOYSA-N 329.783 3.881 10 40 EHCB CCOc1ccc(/C=C2\SC(N3CCCC[C@@H]3C)=NC2=O)cc1 59484567 WWNLMMULTKPOKY-WIOAZZGGSA-N 330.453 3.930 10 40 EHCB O=C1/C(=C\c2ccco2)SC(=S)N1C(=O)c1ccccc1Cl 108017427 MIZBQLVOAZNZRI-XYOKQWHBSA-N 349.820 3.975 10 40 EHCB O=c1oc2c(CNc3ccccn3)c(O)c(Cl)cc2c2c1CCC2 20591322 DZMSCOKLBCQRTR-UHFFFAOYSA-N 342.782 3.648 10 40 EHCB COc1ccc([C@H]2CC(c3cc(Cl)ccc3O)=NN2)c(OC)c1 523906 ZQCWGLGRQFUTCM-CQSZACIVSA-N 332.787 3.502 10 40 EHCB biogenic O=C1NC(=S)S/C1=C\c1c(-c2ccccc2)nc2sccn12 2331328 CJPJTIOXDKRBCI-FLIBITNWSA-N 343.458 3.552 10 40 EHCB CN(C)c1ccc(CNC(=O)CCc2nc3ccccc3s2)cc1 8171009 JDNFMYYJQKKIHY-UHFFFAOYSA-N 339.464 3.611 10 40 EHCB COCC[n+]1c(-c2ccc(O)c(O)c2)csc1Nc1ccccc1 65090464 HDLOISSFUIXAFM-UHFFFAOYSA-O 343.428 3.504 10 40 EHCB O=C(NCc1ccc(N2CCCCC2)cc1)c1cccc([N+](=O)[O-])c1 10113063 AFYFHWTXJZJTOI-UHFFFAOYSA-N 339.395 3.515 10 40 EHCB Cc1cc(C)cc(-n2c(C)cc(-c3csc(CC(N)=O)n3)c2C)c1 8042290 BLOVHKBSPKHIBS-UHFFFAOYSA-N 339.464 3.862 10 40 EHCB COC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1cccs1 9846953 SSWZVQSYIQRAMB-PTNGSMBKSA-N 325.389 3.625 10 40 EHCB CN(Cc1ccc(N(C)C)cc1)C(=O)NCC1(c2ccccc2)CC1 22427264 MJHYWJUGVCBGTJ-UHFFFAOYSA-N 337.467 3.626 10 40 EHCB O=C1/C(=C\c2ccccc2F)SC(=S)N1C(=O)c1ccccc1 16476633 WKBCMKUVMWLDTE-GXDHUFHOSA-N 343.404 3.867 10 40 EHCB O=C1c2ccccc2C(=O)c2c1c(O)cc1oc(-c3ccccc3)nc21 4972725 IJMRMGHLMBZZJL-UHFFFAOYSA-N 341.322 3.976 10 40 EHCB Cc1nc2ncnc(N3CC=C(c4c[nH]c5cc(F)ccc45)CC3)c2[nH]1 41123954 MGEFUPNODIGTNP-UHFFFAOYSA-N 348.385 3.575 10 40 EHCB CCN(CC)c1ccc([C@@H]2NN=C(c3ccccc3)S2)c(O)c1 59408973 XLTIHYROSTVQMA-GOSISDBHSA-N 327.453 3.935 10 40 EHCB Cc1[nH]c2ccccc2c1/C=C1/NC(=O)N(Cc2ccccc2)C1=O 409197615 KGHOIONAXMYZLY-WOJGMQOQSA-N 331.375 3.569 10 40 EHCB O=C1NC(=S)S/C1=C/c1cccc(OCc2ccccc2F)c1 59232908 PGXQINZMMDHTFI-OQLLNIDSSA-N 345.420 3.894 10 40 EHCB COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccccc1 408769278 MJLFPJYRSRFFHA-ATVHPVEESA-N 337.350 3.703 10 40 EHCB CCOC(=O)c1ccccc1/N=N/c1cc(OC)c(N)cc1OC 17422284 SXLPPUULCBTCCN-FMQUCBEESA-N 329.356 3.878 10 40 EHCB Cc1cc(/C=C2/C(=N)N3C=CSC3=NC2=O)c(C)n1-c1ccccc1 20037159 OFMJDTFRYSYGLK-VXBULBDJSA-N 348.431 3.871 10 40 EHCB O=C1c2ccccc2C(=O)[N+]1=NN(Nc1ccccc1)c1ccccc1 39271476 ZLTGAWIKNSWYTC-UHFFFAOYSA-N 343.366 3.894 10 40 EHCB CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)NC(C)(C)C 112113313 CNPJKZGMAZHBDI-VBKFSLOCSA-N 344.415 3.760 10 40 EHCB CCN(CC)c1ccc(CNC(=O)[C@H](C)Oc2ccc(C)cc2)cc1 225651590 YTCYMWTVGHGIIQ-KRWDZBQOSA-N 340.467 3.925 10 40 EHCB CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1ccco1 409043252 DLSBXTZVBYPFEB-VMPITWQZSA-N 342.223 3.781 10 40 EHCB Cc1c(Cc2ccccc2)c(=O)oc2c(CN3CCCC3)c(O)ccc12 489426 VZEJWHDAGMTCHS-UHFFFAOYSA-N 349.430 3.994 10 40 EHCB biogenic O=C1N=C(O)/C(=C\c2cccc(Cl)c2)C(=O)N1c1ccccc1 3209688 AKAGEPANZPZATL-GXDHUFHOSA-N 326.739 3.847 10 40 EHCB CCCCOc1ccc(N2CCn3c(nc4cc(N)ccc43)C2)cc1 13684782 GZPXWMKVXFIMPW-UHFFFAOYSA-N 336.439 3.818 10 40 EHCB CCN1C(=O)/C(=C\c2cc(Cl)cc(Cl)c2O)SC1=S 36622706 AUCWDTPZIQMXBB-RUDMXATFSA-N 334.249 3.920 10 40 EHCB CCN(CC)c1ccc(/C=C2/SC(=O)N(C(C)C)C2=O)c(OC)c1 409021890 DHPDTZCBRKZGKO-MHWRWJLKSA-N 348.468 3.986 10 40 EHCB CC(C)N1C(=O)/C(=C\c2ccccc2OC(F)F)SC1=S 6827395 LGASEMOSDHMKAY-YRNVUSSQSA-N 329.393 3.898 10 40 EHCB Cc1cccc(NC(=O)C[C@H]2SC(=O)N(c3ccccc3)C2=O)c1 1013819 AYUAUOZBIOAQTG-OAHLLOKOSA-N 340.404 3.592 10 40 EHCB CCC[C@H](C)NC(=O)COC(=O)c1cc(C)n(-c2ccccc2)c1C 3460595 NSSMMWQCZWDGGK-AWEZNQCLSA-N 342.439 3.556 10 40 EHCB CC[C@H](C(=O)O)N1C(=O)/C(=C\C(C)=C/c2ccccc2)SC1=S 38200564 KJENGCMUGBOVLB-GVZARNNLSA-N 347.461 3.697 10 40 EHCB C[C@@H](NC(=S)Nc1ccncc1)c1ccc(N2CCCC2)cc1 225697169 HHQGWXYFPXCUJV-CQSZACIVSA-N 326.469 3.729 10 40 EHCB COc1ccc(/C=C2\SC(=S)N(c3ccccc3O)C2=O)cc1 1297953 OAHKMXDDNWWAPP-GDNBJRDFSA-N 343.429 3.807 10 40 EHCB Oc1ccc2ccccc2c1CN1CCN(Cc2ccsc2)CC1 22777930 OJICWDZWYHOHDQ-UHFFFAOYSA-N 338.476 3.925 10 40 EHCB CCN(CC)c1ccc(CNC(=O)COc2ccc(C)cc2C)cc1 225446821 NISMLKRNEAGAHZ-UHFFFAOYSA-N 340.467 3.845 10 40 EHCB CCN(CC)S(=O)(=O)c1cccc(/N=N/c2c(O)cccc2O)c1 103444611 QBVFVXUQODITOO-ISLYRVAYSA-N 349.412 3.544 10 40 EHCB CCn1c(C)cc(/C=C2\NC(=O)N(Cc3ccc(C)cc3)C2=O)c1C 409097146 FXRJIFMLHJTJNN-WQRHYEAKSA-N 337.423 3.526 10 40 EHCB CCn1c(-c2ccccc2)cnc1SCC(=O)N1CCCCC1 420669 ZSXJNCFHRFLKFB-UHFFFAOYSA-N 329.469 3.675 10 40 EHCB Cc1cc(CC(=O)NC2=NCCS2)c(C)n1-c1ccc(Cl)cc1 9466026 HKWSPIKSYJUJLI-UHFFFAOYSA-N 347.871 3.509 10 40 EHCB COc1cc2c(cc1OC)/C(=C/C(=S)Nc1ccccc1)NCC2 101370389 UEKHJOAMSMCCAF-VBKFSLOCSA-N 340.448 3.630 10 40 EHCB O=C1NC(=S)S/C1=C\c1ccc(OCc2ccccc2)cc1 973836 LNPKMUHSBCXBNB-GDNBJRDFSA-N 327.430 3.754 10 40 EHCB CN(Cc1ccccc1O)C(=O)Nc1nnc(C2CCCCC2)s1 47380604 IQEOUAWSBRRZMQ-UHFFFAOYSA-N 346.456 3.955 10 40 EHCB Cc1cc(O)c(CN2CCN(c3cccc(Cl)c3)CC2)cc1C 57395044 RGDDHUUHYAYBIH-UHFFFAOYSA-N 330.859 3.985 10 40 EHCB S=C(NCc1ccc(N2CCCCC2)cc1)Nc1cccnc1 225419341 QFLPDWRDOIZUKG-UHFFFAOYSA-N 326.469 3.559 10 40 EHCB C[C@H](c1ccccc1)N1C(=O)/C(=C2\C=CC=CN2C)SC1=S 4545611 LDBSCGUGVMZKKL-DKASORFFSA-N 328.462 3.835 10 40 EHCB O=C1NC(=S)S/C1=C\c1ccc(OCc2cccc(F)c2)cc1 9762159 RJMMPKUMSXDECB-DHDCSXOGSA-N 345.420 3.894 10 40 EHCB COc1ccc(Oc2ccc(CNCc3ccccc3O)cn2)cc1 69537214 GSNYPBIWSHBDMZ-UHFFFAOYSA-N 336.391 3.878 10 40 EHCB CCn1c(-c2ccccc2)cnc1SCC(=O)Nc1nccs1 420667 UTYQKYMTIXUNEM-UHFFFAOYSA-N 344.465 3.757 10 40 EHCB Nc1nn2c(=O)cc(-c3ccccc3)[nH]c2c1/N=N/c1ccccc1F 4649656 GOIHDGWFDBYIHD-GHVJWSGMSA-N 348.341 3.826 10 40 EHCB O=C1N=C(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2O)CS1 40914559 MIPANFMDESCNBQ-OAHLLOKOSA-N 337.404 3.809 10 40 EHCB Cc1ccc(C(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)cc1 71882489 TZEOFSPCQBHKIV-UHFFFAOYSA-N 349.386 3.705 10 40 EHCB COC(=O)[C@@]1(C)C[C@H](c2ccc(N(C)C)cc2)N(c2ccccc2)O1 4042573 DSFUMKGWZKADQG-UYAOXDASSA-N 340.423 3.567 10 40 EHCB CCN1C(=O)/C(=C/C=C2\Oc3ccccc3N2CC)SC1=S 13574279 YAORVROFPFPJJU-FOIMCPNXSA-N 332.450 3.511 10 40 EHCB O=C(c1ccco1)N1N=C(c2ccccc2O)C[C@@H]1c1ccccc1 97105833 BTPLUYYJYUZFFO-QGZVFWFLSA-N 332.359 3.977 10 40 EHCB CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1ccccc1O 408895836 VYWVDUWSRUSZDX-LGMDPLHJSA-N 349.386 3.660 10 40 EHCB Cc1ccccc1N1C(=O)S[C@@H](CC(=O)Nc2ccccc2)C1=O 12136907 XAUVMNYABBCNEM-HNNXBMFYSA-N 340.404 3.592 10 40 EHCB CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@@](O)(CN=[N+]=[N-])c1ccccc1 72208041 GGBYJGCBYMWWLW-CRAIPNDOSA-N 346.431 3.974 10 40 EHCB CCN(CC)c1ccc(-c2n(O)c(-c3ccccc3)c(C)[n+]2[O-])cc1 5393339 QGVCMGZCBDCKQF-UHFFFAOYSA-N 337.423 3.847 10 40 EHCB COc1ccccc1/C=C1/SC(Nc2ccccc2OC)=NC1=O 7276404 YGWOHSSSTIVQEK-LFIBNONCSA-N 340.404 3.786 10 40 EHCB CC(=O)c1ccc(-c2ccc(/C=C3\SC(=S)N(C)C3=O)o2)cc1 409339597 WTLRBPAFBOUIIO-DHDCSXOGSA-N 343.429 3.980 10 40 EHCB COCc1nccc(N2CC=C(c3c(C)[nH]c4ccccc34)CC2)n1 1120034117 YBLSFHVRHZJLTO-UHFFFAOYSA-N 334.423 3.706 10 40 EHCB CCN(CCNC(=S)Nc1ccc(OC)cc1)c1ccc(C)cc1 225792722 NKFUDJRXULOHFL-UHFFFAOYSA-N 343.496 3.817 10 40 EHCB O=C(CSc1nnc2c(n1)[nH]c1ccccc12)c1cccs1 6455266 XNLRPHVWHNDDNM-UHFFFAOYSA-N 326.406 3.543 10 40 EHCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(Br)o1 100147947 JBYHAJNQDWXAOR-UKTHLTGXSA-N 331.169 3.848 10 40 EHCB O=C([C@@H]1COc2ccccc21)N(Cc1ccco1)Cc1ccccc1O 84504632 GJWDKGYCPNBNIJ-GOSISDBHSA-N 349.386 3.690 10 40 EHCB CCc1ccccc1-n1c(C)cc(/C=C2/SC(=O)NC2=O)c1C 4704768 AQICXVWPLBXISM-MHWRWJLKSA-N 326.421 3.980 10 40 EHCB CCc1ccc(NC2=NC(=O)/C(=C3/C(=O)Nc4ccccc43)S2)cc1 5373293 QIZFZSXBELDUDH-NXVVXOECSA-N 349.415 3.654 10 40 EHCB O=c1oc2c(CNCCc3ccccc3)c(O)ccc2c2c1CCCC2 20590434 ZECNBLRWGVYPCW-UHFFFAOYSA-N 349.430 3.710 10 40 EHCB O=C1/C(=C/c2ccc3c(c2)OCO3)SC(=S)N1c1ccccc1 974859 YYJHBJZHHUGFBT-DHDCSXOGSA-N 341.413 3.821 10 40 EHCB Cc1ccc(S[C@@H](C)C(=O)NCc2ccc(N(C)C)cc2)cc1 8171998 KQJMZLPNCSJYDG-HNNXBMFYSA-N 328.481 3.858 10 40 EHCB O=c1oc2c(CN3CCCC3)c(O)c(Cl)cc2c2c1CCCC2 20132714 UKZNINYYYYNLBI-UHFFFAOYSA-N 333.815 3.627 10 40 EHCB CCN(CC)c1ccc(CNC(=O)c2ccc(OC)c(C)c2)cc1 225804965 XITSDHGQBYOXAW-UHFFFAOYSA-N 326.440 3.780 10 40 EHCB COc1cccc(/C=C2/SC(=S)N(n3c(C)ccc3C)C2=O)c1 409204066 ADUYPYWMIIMSCC-XNTDXEJSSA-N 344.461 3.651 10 40 EHCB CCOC(=O)c1sc(Nc2ccccc2)c(C(=O)OCC)c1O 36629322 NPRCGUKYIRATED-UHFFFAOYSA-N 335.381 3.551 10 40 EHCB CN(C)c1ccc(CN(CC(F)(F)F)C(=O)c2ccoc2)cc1 69569431 CSYLAKPFMBCKQZ-UHFFFAOYSA-N 326.318 3.550 10 40 EHCB COc1ccc(/N=N\N=c2/sc3cc(OC)ccc3n2C)cc1 104265257 YVBHXLSKGYTHJX-YGGBKCGDSA-N 328.397 3.857 10 40 EHCB C/C(NC1CC1)=C1/C(=O)N(c2ccc(F)cc2)N=C1c1ccccc1 112112144 TXRHBDUIOARFHE-AQTBWJFISA-N 335.382 3.603 10 40 EHCB Cc1ccc(C)c(N2C[C@@](O)(c3cccs3)[N+]3=C2SCCC3)c1 425728 SYPJKWPWYGKKBZ-GOSISDBHSA-N 345.513 3.536 10 40 EHCB COC(=O)c1ccc([C@@H]2Nc3ccc(C(=O)O)cc3[C@@H]3C=CC[C@@H]32)cc1 4172141 QNNQRBONDFMTCC-GJYPPUQNSA-N 349.386 3.998 10 40 EHCB O=C1N=C(Nc2ccc(F)cc2)S/C1=C/c1ccc2c(c1)OCO2 4470507 DATRBBIPTFEIBI-OVCLIPMQSA-N 342.351 3.637 10 40 EHCB O=C1N=C(Nc2cccc(C(=O)O)c2)S/C1=C/c1cccs1 28296975 LLCBZGIQNIYTSJ-XYOKQWHBSA-N 330.390 3.529 10 40 EHCB CCN(CC)c1ccc(/C=C2/SC(=O)N(C(C)C)C2=O)c(O)c1 409022511 JBCXVHLVZRYKNG-OQLLNIDSSA-N 334.441 3.683 10 40 EHCB CC1=NN(c2ccccc2)C(=O)/C1=C\c1coc2ccc(F)cc2c1=O 102971607 HUNCMNBBTPCMHL-SXGWCWSVSA-N 348.333 3.738 10 40 EHCB CC1=NN(c2ccccc2)C(=O)/C1=C\c1cccn1-c1ccc(O)cc1 408961487 CMHICQUCHBMEOL-ZHZULCJRSA-N 343.386 3.989 10 40 EHCB O=C(NCCCSc1nccs1)N1CCC[C@@H]1c1ccc[nH]1 95413627 FVQQRUUYAXXNOT-CYBMUJFWSA-N 336.486 3.500 10 40 EHCB O=C(/C=C/c1ccc(O)c(O)c1)N[C@H](c1ccc(F)cc1)C1CC1 95997796 HGGVKEFKQHWVGW-QTHLPEPBSA-N 327.355 3.518 10 40 EHCB C[C@@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)OC(=O)/C(=C\O)C[C@H]12 104270681 LUCOQXWMBYAVDV-UCKHSOIPSA-N 334.456 3.737 10 40 EHCB CC(C)c1cc2c(c(O)c1O)[C@@]13CCCC(C)(C)[C@@H]1[C@H](CC3=O)[C@H]2O 299817926 ZPGPREPDSQALNB-CCNVXBGZSA-N 344.451 3.921 10 40 EHCB biogenic,in-vitro Cc1ccc(-n2c(C)cc(C(=O)CN3C[C@H](C)O[C@H](C)C3)c2C)cc1 12377637 HBURWRQHHRVFDR-CALCHBBNSA-N 340.467 3.694 10 40 EHCB O=C1N=C(O)/C(=C\c2cccc(Cl)c2)C(=O)N1c1ccc(F)cc1 59135074 XEAIUYPTCGTGJV-NTEUORMPSA-N 344.729 3.986 10 40 EHCB O=C1N=C(Nc2ccccn2)S/C1=C\c1ccc2ccccc2n1 54361108 JUTQZNRJIJSEHW-PTNGSMBKSA-N 332.388 3.712 10 40 EHCB CC1=NN(C(=O)c2ccccc2)C(=O)/C1=C/c1cc2ccccc2[nH]1 408935552 HTXYUJIQIGIQPE-SFQUDFHCSA-N 329.359 3.610 10 40 EHCB CCOc1cccc(CN[C@H](C)c2cc(OC)c(OC)cc2C)c1O 78394102 ZLNRBJZLYGBNEP-CQSZACIVSA-N 345.439 3.967 10 40 EHCB COCCCN1C(=O)/C(=C\c2ccc(Cl)cc2)SC1=S 5905829 SYNXTXRNPBVZBH-FMIVXFBMSA-N 327.858 3.578 10 40 EHCB CCOc1ccc(N2C(=O)/C(=C/c3ccc[nH]3)SC2=S)cc1 5374644 CUKNNOOFWQFVOX-UVTDQMKNSA-N 330.434 3.819 10 40 EHCB COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)CN=[N+]=[N-])cc1 102829411 IGPCCUSAYCFPRP-KRWDZBQOSA-N 335.367 3.683 10 40 EHCB Cc1[nH]c2ccccc2c1C1=CCN(c2nccn(C3CC3)c2=O)CC1 97037202 LQNYHMIKPYRMTF-UHFFFAOYSA-N 346.434 3.662 10 40 EHCB COc1ccc(-n2c(C)cc(/C=C3\SC(=O)N(C)C3=O)c2C)cc1 408815970 IHYFFLYPNQPRTB-YBEGLDIGSA-N 342.420 3.769 10 40 EHCB COC(=O)[C@H](C)Oc1ccc2c(-c3ccccc3)cc(=O)oc2c1C 44946 RPEBWCAKDVPWSM-ZDUSSCGKSA-N 338.359 3.709 10 40 EHCB COc1cccc(/C=C2/SC(=S)N(Nc3ccccc3)C2=O)c1 1208350 FNITXGVQDJWRMC-RVDMUPIBSA-N 342.445 3.924 10 40 EHCB CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1ccco1 12528863 OPOBGRPLCPTBIS-ATVHPVEESA-N 337.375 3.855 10 40 EHCB COc1ccccc1NC(=O)NCc1ccc(N2CCCC2)cc1 31091164 XFSGIYXGCXRMEZ-UHFFFAOYSA-N 325.412 3.617 10 40 EHCB C[C@H](NCc1ccc2c(c1)CCO2)c1cccc(N2CCCC2=O)c1 65538055 NUZLAJJDLPENCZ-HNNXBMFYSA-N 336.435 3.599 10 40 EHCB O=C(NCCCSc1nccs1)c1nc(Cl)ccc1Cl 69768970 KUCPEFBQJFABEG-UHFFFAOYSA-N 348.280 3.757 10 40 EHCB Fc1cccc(F)c1NC(=S)NCCCN1CCc2ccccc21 225560182 JBEBEOQCQUOJJQ-UHFFFAOYSA-N 347.434 3.704 10 40 EHCB O=C1N=C(O)/C(=C/c2ccc(Cl)cc2)C(=O)N1c1ccccc1F 9046190 QJQDAGSWOQCYLX-XFXZXTDPSA-N 344.729 3.986 10 40 EHCB Cc1ccc(/C=C2/SC(=S)N(CN3CCC(C)CC3)C2=O)cc1 55195971 TUZOSEVYMKXYNR-LFIBNONCSA-N 346.521 3.886 10 40 EHCB COc1ccc(-n2c(C)cc(C(=O)CN3CCCCC3)c2C)cc1 89251 VBOQOZOWVULYSK-UHFFFAOYSA-N 326.440 3.771 10 40 EHCB CCOC(=O)c1[nH]c2ccc(OC)cc2c1/N=N/N1CCCCC1 501059 PTNIRRNZXYFBBR-FMQUCBEESA-N 330.388 3.838 10 40 EHCB CCCOC(=O)CCN1C(=O)/C(=C\c2ccc(C)cc2)SC1=S 5124176 NIXOKRATIXCAJJ-SDNWHVSQSA-N 349.477 3.540 10 40 EHCB COc1cccc(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c1 12537496 MRXWWGODEYKBHU-UHFFFAOYSA-N 338.451 3.958 10 40 EHCB Cc1cccc(N2CCN(Cc3cc(Cl)ccc3O)CC2)c1C 53151156 SQRCWRSYYZNICO-UHFFFAOYSA-N 330.859 3.985 10 40 EHCB O=C1c2ccccc2C(=O)C1C(=O)c1ccc2c3c(cccc13)CC2 104342782 ZWDYYPUENBWBJM-UHFFFAOYSA-N 326.351 3.817 10 40 EHCB COc1ccc(-n2c(C)cc(C(=O)N=S3(=O)CCCC3)c2C)cc1 1646113355 VLSQCPZYRJVGAZ-UHFFFAOYSA-N 346.452 3.505 10 40 EHCB COc1ccc([C@@H]2CC(c3ccc(C)cc3)=NN2C(=O)CN=[N+]=[N-])cc1 102829353 MQNIULBYMUYJDD-SFHVURJKSA-N 349.394 3.992 10 40 EHCB CC1=NN(c2ccc(C)c(Cl)c2)C(=O)/C1=C\NNc1ccccc1 408534142 UZIABRYTGHVGRI-WJDWOHSUSA-N 340.814 3.872 10 40 EHCB Cc1cc(C(=O)Cn2cnc3ccccc32)c(C)n1-c1ccccn1 12586758 YNDAIQSHJWSNBQ-UHFFFAOYSA-N 330.391 3.722 10 40 EHCB COc1ccccc1NC[C@H](O)COc1ccc(Cl)cc1Cl 74230 PNYCMUCLQNEIQS-LBPRGKRZSA-N 342.222 3.854 10 40 EHCB O=C1N=C(NC2CCCC2)S/C1=C/c1ccc(OC(F)F)cc1 3362594 YANRGZWNVULRFW-UKTHLTGXSA-N 338.379 3.791 10 40 EHCB Cc1ccc(C)n1-c1ccc(C(=O)Nc2ccc(N(C)C)nc2)cc1 22421232 COUNCKQAFSMFFW-UHFFFAOYSA-N 334.423 3.807 10 40 EHCB O=C1/C(=C\C=C\c2ccco2)C(O)=NC(=S)N1C1CCCCC1 33320034 CIQCFFLSRVUSAB-NDUUIVGLSA-N 330.409 3.636 10 40 EHCB CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc2c(c1)OCO2 100147920 NGZZHPSKKWCJJE-OVCLIPMQSA-N 340.766 3.875 10 40 EHCB Cc1ccc(CN2C(=O)S/C(=C/c3ccc(O)c(O)c3)C2=O)cc1 214488487 CNMKAQCYAQUZTH-CXUHLZMHSA-N 341.388 3.643 10 40 EHCB O=C(C(=O)c1cccc(C(=O)C(=O)c2ccccc2)c1)c1ccccc1 1590837 JXFFIJCCFUQFQC-UHFFFAOYSA-N 342.350 3.818 10 40 EHCB COc1ccc(CCN2C(=O)/C(=C\c3ccco3)SC2=S)cc1 5371547 CDSRZLIOMMCIPG-RVDMUPIBSA-N 345.445 3.732 10 40 EHCB CC(=O)Nc1ccc(S(=O)(=O)/N=N/c2ccc(Cl)cc2)cc1 17886317 ILGSSZFBLRNCKM-ISLYRVAYSA-N 337.788 3.771 10 40 EHCB O=C1/C(=C/c2nc3ccccc3[nH]2)SC(=S)N1Cc1ccco1 5235956 WDVYNSRDNRGPOF-JYRVWZFOSA-N 341.417 3.557 10 40 EHCB CCOc1ccc(/C=C2/SC(N3CCCC[C@H]3C)=NC2=O)cc1 83302998 WWNLMMULTKPOKY-MLDYKZIASA-N 330.453 3.930 10 40 EHCB COCc1nccc(N2CC=C(c3c[nH]c4cc(F)ccc34)CC2)n1 1334125938 MLDXBPDWNOXPLN-UHFFFAOYSA-N 338.386 3.537 10 40 EHCB Cn1c(-c2ccc(F)cc2)cnc1SCC(=O)Nc1ccccc1 420680 DGEWZPMYDWIUFK-UHFFFAOYSA-N 341.411 3.957 10 40 EHCB Oc1c([C@H](Nc2nccs2)c2ccncc2)ccc2cccnc12 1463207 BFHNGSFZCJKEEE-OAHLLOKOSA-N 334.404 3.993 10 40 EHCB Cc1ccc(/C=C2\SC(=S)N(CNc3cccnc3)C2=O)cc1 108754875 QOZDLXQSCYISOT-DHDCSXOGSA-N 341.461 3.661 10 40 EHCB Cc1cccc(/C=C2\SC(=S)N(CCCCCC(=O)O)C2=O)c1 3532596 HOIDKZHNBXDVFZ-KAMYIIQDSA-N 349.477 3.841 10 40 EHCB O=C1C/C(=C\c2ccc(O)c(O)c2)C(=O)N1c1cccc2ccccc12 8990921 IBGQYZULISJSTB-XNTDXEJSSA-N 345.354 3.598 10 40 EHCB O=C1N=C(Nc2ccccc2Cl)S/C1=C/c1ccc(O)cc1O 211054800 SVUIDMBLFVZQGQ-VGOFMYFVSA-N 346.795 3.834 10 40 EHCB Cc1cccc(NC2=NC(=O)/C(=C/c3cccc4c3OCO4)S2)c1 97147282 HBTWQURUWGBUFP-DHDCSXOGSA-N 338.388 3.806 10 40 EHCB CN(C)c1ccc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 409229630 SBOZKTHAMPEVAI-LFIBNONCSA-N 341.798 3.503 10 40 EHCB CCN1CCc2c(sc3c2C(O)=N[C@@H](c2ccc(C)cc2O)N3)C1 4556160 SQFDJBXSNGOISE-MRXNPFEDSA-N 343.452 3.569 10 40 EHCB CCOc1ccc(N2C(=O)/C(=C\c3ccccn3)SC2=S)cc1 5214774 LEXOGHWMHREIFB-RVDMUPIBSA-N 342.445 3.886 10 40 EHCB O=C(N[C@H](c1ccccc1)c1c(O)ccc2ccccc12)[C@@H]1CCCO1 41978423 PWOLFCUBWWATNE-PZJWPPBQSA-N 347.414 3.930 10 40 EHCB Cc1ccc(-c2nnc([C@H]3CCN(Cc4ccccc4O)C3)o2)cc1 49169950 CRPPNSPMBPZWFD-KRWDZBQOSA-N 335.407 3.740 10 40 EHCB biogenic,in-vitro COC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(C(=O)O)cc1)N2 4450143 GJGGLGFZQPLXPH-FCEWJHQRSA-N 349.386 3.998 10 40 EHCB O=S(=O)(O)c1ccc(O)c(/N=N\c2c(O)ccc3ccccc23)c1 100407764 IGLJWNJJOFKOTF-ZCXUNETKSA-N 344.348 3.913 10 40 EHCB COc1cc(CN[C@@H]2CCCc3c2cnn3C)c(O)c(C(C)(C)C)c1 585093654 WXNRODMKTBAMKV-QGZVFWFLSA-N 343.471 3.599 10 40 EHCB O=C1/C(=C/c2ccco2)SC(=S)N1CCOc1ccccc1 2445665 FQBPDEGOVHNWTL-KAMYIIQDSA-N 331.418 3.560 10 40 EHCB O=C1/C(=C/c2ccc(O)cc2)SC(=S)N1c1ccc(F)cc1 13942758 ZDRVPSBAXCVEQL-ZROIWOOFSA-N 331.393 3.937 10 40 EHCB Cc1cc(Br)cc(C)c1NC(=O)Cc1ccc(N)cc1 20030738 NTUCIXVDDMOWAO-UHFFFAOYSA-N 333.229 3.829 10 40 EHCB C[C@@H]1CN(CC(=O)Nc2ccc(/N=N/c3ccccc3)cc2)CCO1 25833439 DKJFELXDCNWZLG-UCMDFWOYSA-N 338.411 3.761 10 40 EHCB CCCN1C(=O)N/C(=C\c2cc(C)n(-c3ccc(C)cc3)c2C)C1=O 409250934 OWVSHSDPKXACFA-PDGQHHTCSA-N 337.423 3.705 10 40 EHCB CCc1ccc(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)cc1 409132356 ZMDIFMBQNOOXHE-VBKFSLOCSA-N 336.416 3.649 10 40 EHCB Cc1cc(Cl)ccc1NC(=O)[C@]12CC[C@](C)(C(=O)C1=O)C2(C)C 2172638 WJMKTAYUTQTWMX-MSOLQXFVSA-N 333.815 3.551 10 40 EHCB CC(=O)NCc1ccc(-c2csc(-c3ccc(N(C)C)cc3)n2)o1 12542874 OHKGDKJJZGSQSH-UHFFFAOYSA-N 341.436 3.772 10 40 EHCB CC1=NN(c2cccc(C)c2)C(=O)/C1=C\NNc1ccc(Cl)cc1 408536293 VVGDOVBNNSWKPD-BOPFTXTBSA-N 340.814 3.872 10 40 EHCB COC(=O)[C@@]1(C)C[C@@H](c2ccc(N(C)C)cc2)N(c2ccccc2)O1 4042576 DSFUMKGWZKADQG-AZUAARDMSA-N 340.423 3.567 10 40 EHCB CCOc1ccc(/C=C2\SC(=S)N(C(C)C)C2=O)cc1OC 9188401 DKSPZOIUAMZEKS-ZROIWOOFSA-N 337.466 3.704 10 40 EHCB CCc1ccccc1-n1c(C)cc(/C=C2\SC(=O)NC2=O)c1C 16162512 AQICXVWPLBXISM-YBEGLDIGSA-N 326.421 3.980 10 40 EHCB COc1ccc2c(c1)CCCN2Cc1nc(Cc2ccccc2)no1 47406804 DIMWVLQRQQYSRP-UHFFFAOYSA-N 335.407 3.622 10 40 EHCB Cc1cccc(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c1C 71797624 BOOWOCRSAFFPMY-GOSISDBHSA-N 339.435 3.830 10 40 EHCB S=C(NCc1ccccn1)Nc1ccc(OC2CCCC2)cc1 225330527 QNTMKUWAZMEVPT-UHFFFAOYSA-N 327.453 3.890 10 40 EHCB CCN1C(=O)/C(=C/c2c(F)c(F)c(F)c(F)c2F)SC1=S 2769174 RXNPEASDNKXEOZ-HYXAFXHYSA-N 339.310 3.603 10 40 EHCB COC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(C(=O)O)cc1)N2 4450142 GJGGLGFZQPLXPH-MDZRGWNJSA-N 349.386 3.998 10 40 EHCB COCCCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S 4816004 ZZNPLYDJFNQTFL-XFXZXTDPSA-N 327.858 3.578 10 40 EHCB CCOc1ccc(N2C(=O)/C(=C\c3cccnc3)SC2=S)cc1 5181773 XZHLANLDWFEBRY-XNTDXEJSSA-N 342.445 3.886 10 40 EHCB CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C/NN(C)c1ccccc1 100044383 GJHITRGYHLNKGF-SFQUDFHCSA-N 340.814 3.587 10 40 EHCB CCCC1=NN(c2ccccc2)C(=O)/C1=C(/C)NCCCOC(C)C 103917618 VIRPOTYAEMAORC-MNDPQUGUSA-N 343.471 3.868 10 40 EHCB COc1ccc(N/C=C2\SC(=S)N(Cc3ccco3)C2=O)cc1 618255213 RRJBGKFMIGYJNR-ZROIWOOFSA-N 346.433 3.602 10 40 EHCB C[n+]1c(C=C2C=CN(CCC[N+](C)(C)C)C=C2)sc2ccccc21 2510628 QAKHPVJNJDGXRE-UHFFFAOYSA-N 341.524 3.549 10 40 EHCB Cc1ccc(-c2csc(NS(=O)(=O)c3cccc(F)c3)n2)o1 8036102 MVHDMAJMMWODRJ-UHFFFAOYSA-N 338.385 3.651 10 40 EHCB Cc1ccc(NC(=S)NCc2ccc(N3CCCCC3)cc2)nc1 225419183 ZWHFUIMZJCRTGQ-UHFFFAOYSA-N 340.496 3.867 10 40 EHCB CCCn1c(NC(=O)c2cccc(C(=O)N=N)c2)nc2ccccc21 1560403852 VDVPHVWLJOPKRX-UHFFFAOYSA-N 335.367 3.870 10 40 EHCB COC(=O)[C@]1(C)C[C@H](c2ccc(N(C)C)cc2)N(c2ccccc2)O1 4042575 DSFUMKGWZKADQG-QUCCMNQESA-N 340.423 3.567 10 40 EHCB COc1cccc(/C=C2\SC(N3CCCCCC3)=NC2=O)c1OC 27570604 SOWDNCHKQCLDTG-QINSGFPZSA-N 346.452 3.550 10 40 EHCB CCn1c(CN2CCOc3cc(N(C)C)ccc32)nc2ccccc21 97143327 UYSYKYLVYHAWOT-UHFFFAOYSA-N 336.439 3.521 10 40 EHCB CCOC(=O)/C(=C\c1cnccc1C)c1nccn1Cc1ccccc1 585079753 HBDFUDJLPHTPDB-UYRXBGFRSA-N 347.418 3.739 10 40 EHCB Cc1ccccc1/C=C1\SC(=S)N(CCCCCC(=O)O)C1=O 5373410 NZILKAVTBZJONM-KAMYIIQDSA-N 349.477 3.841 10 40 EHCB Oc1c([C@@H](Nc2nccs2)c2ccccn2)ccc2cccnc12 1016317 PAFHWBFBRDXLHE-MRXNPFEDSA-N 334.404 3.993 10 40 EHCB Cc1cc(/C=C2\SC(=S)N(C)C2=O)c(C)n1-c1ccc(O)cc1 13541322 XDOKLSJPKKDTBH-DHDCSXOGSA-N 344.461 3.631 10 40 EHCB O=C1N=C(O)/C(=C\C=C\Nc2ccccc2)C(=O)N1Cc1ccccc1 8974448 NNXGQDINDLKSCB-MUZUHFIMSA-N 347.374 3.658 10 40 EHCB CCOc1ccccc1/C=C1\SC(N2CCC[C@H](C)C2)=NC1=O 9188888 IACJDCBUZVCZAF-RERGGYADSA-N 330.453 3.788 10 40 EHCB CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1n[nH]c2ccccc12 10963552 XLIJYABXUFXRQS-UHFFFAOYSA-N 348.450 3.825 10 40 EHCB COc1ccc(N(C)CCNC(=S)Nc2ccccc2Cl)cc1 225797408 FICQNBZFHWESKI-UHFFFAOYSA-N 349.887 3.771 10 40 EHCB CCOC(=O)C1=C(C)N=C2SC=CN2[C@H]1c1ccc(N(C)C)cc1 6026523 AQTLIHGIRPQXOO-INIZCTEOSA-N 343.452 3.520 10 40 EHCB CCOc1ccc(/C=C2\SC(N3CCC[C@H](C)C3)=NC2=O)cc1 13749810 QKPWJAZGLKTRMX-RERGGYADSA-N 330.453 3.788 10 40 EHCB O=C1/C(=C\c2ccc(O)cc2O)SC(=S)N1C1CCCCC1 113830684 DMALDMVZPVJRBB-RIYZIHGNSA-N 335.450 3.632 10 40 EHCB Cc1c(/C=C2\NC(=O)N(Cc3ccccc3)C2=O)c2ccccc2n1C 409200361 RONCPCPUEIJTJW-PDGQHHTCSA-N 345.402 3.580 10 40 EHCB O=C1/C(=C/c2cccc(O)c2)SC(=S)N1CCc1ccccc1 4680468 JTKZZESAGQGXLR-VBKFSLOCSA-N 341.457 3.836 10 40 EHCB O=C1N=C(Nc2ccc(F)c(Cl)c2)S/C1=C/c1cccnc1 8419298 PVDHKFSAZXAHMC-AWNIVKPZSA-N 333.775 3.957 10 40 EHCB Cc1cc(/C=C2\SC(=O)N(C)C2=O)c(C)n1-c1ccc(F)cc1 13810278 VENQLWYJJXDNOD-DHDCSXOGSA-N 330.384 3.899 10 40 EHCB O=C1N=C(NC2CCCCC2)S/C1=C/C1=Cc2ccccc2OC1 58392073 FMJFWNVYLXYEAN-GZTJUZNOSA-N 340.448 3.898 10 40 EHCB Cc1ccnc(NC(=S)NCc2ccc(N3CCCCC3)cc2)c1 225419290 CCZBUBKHOLHKML-UHFFFAOYSA-N 340.496 3.867 10 40 EHCB Cn1cc(/C=C2/SC(Nc3ccc(O)cc3)=NC2=O)c2ccccc21 1237401 BFCQHOIRFFMKKA-LICLKQGHSA-N 349.415 3.966 10 40 EHCB O=C(O)CCCCCN1C(=O)/C(=C/c2ccccc2)SC1=S 1907700 RBQYTRMRAMKNBT-QBFSEMIESA-N 335.450 3.533 10 40 EHCB Cc1cc(/C=C2\SC(=O)N(C)C2=O)c(C)n1-c1ccccc1F 73417231 YQIHDGQLMZINAS-DHDCSXOGSA-N 330.384 3.899 10 40 EHCB CC(=O)N(Cc1ccccc1)c1ccc(O)c(CN2CCCCC2)c1 1690390 AFRDADICTHPMDT-UHFFFAOYSA-N 338.451 3.931 10 40 EHCB Cc1cccc(NC=C2C(=O)OC3(CCCCC3)OC2=O)c1Cl 12274930 OVQMGBWSPCEXLX-UHFFFAOYSA-N 335.787 3.705 10 40 EHCB CCc1cccc(CC)c1NC(=S)NCCc1ccc(O)c(O)c1 13637234 HYQOFLWNPUNPDF-UHFFFAOYSA-N 344.480 3.752 10 40 EHCB Cc1cc(C(=O)NC(C)C)c(C)n1-c1ccc(Br)cc1 32906284 DGIDSGJVCHGOQF-UHFFFAOYSA-N 335.245 3.995 10 40 EHCB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CCC1CCCCC1 39995687 DSCPGBZIYHCXSM-UHFFFAOYSA-N 344.499 3.842 10 40 EHCB CCOC(=O)c1c(C)n(C)c2ccc(O)c(CN3CCC(C)CC3)c12 459226 KXAXVGODKLONAP-UHFFFAOYSA-N 344.455 3.601 10 40 EHCB biogenic Oc1ccc(Br)cc1CNc1ccc2c(c1)OCCO2 40477096 NPKBEDCPDPUBTD-UHFFFAOYSA-N 336.185 3.538 10 40 EHCB Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C/C=C/c3ccccc3)C2=O)c1 14011124 PUSHQZYSDYSDSI-CVCOPPNTSA-N 346.386 3.526 10 40 EHCB CCCC[C@@H]1C(=O)N2C=C(c3ccccc3)c3ccccc3N2C1=O 2027535 ZJJCMTPBBMBVPA-QGZVFWFLSA-N 332.403 3.986 10 40 EHCB Cc1ccc(C)c(NC2=NC(=O)/C(=C/c3c(C)n[nH]c3C)S2)c1 40114075 QQLJGYIDIWIVHI-NVNXTCNLSA-N 326.425 3.726 10 40 EHCB CCN(CC)c1ccc([C@H]2NC(=O)c3c(sc(C)c3C)N2)c(O)c1 43415 YYWZZJUDMNHRGQ-INIZCTEOSA-N 345.468 3.771 10 40 EHCB NC(=O)c1cccc2c1N[C@H](c1cccc([N+](=O)[O-])c1)[C@H]1CC=C[C@@H]21 306611 ULMBGXXVZASLBH-JKIFEVAISA-N 335.363 3.520 10 40 EHCB CC(C)CN1C(=O)/C(=C\c2ccc3c(c2)C[C@@H](C)O3)SC1=S 2325738 PCMLOJNDXYVHGI-OXFWXOROSA-N 333.478 3.867 10 40 EHCB Cc1ccc(/C=C2/SC(Nc3ccccc3C(=O)O)=NC2=O)cc1 35042441 WOVHSOGPYOEUIZ-XNTDXEJSSA-N 338.388 3.776 10 40 EHCB Cc1ccccc1N/C=C1\SC(=S)N(Cc2ccco2)C1=O 618254483 CVBFPSSSYRXQHL-ZROIWOOFSA-N 330.434 3.902 10 40 EHCB COC(=O)[C@@H](C)Oc1ccc2c(-c3ccccc3)cc(=O)oc2c1C 44947 RPEBWCAKDVPWSM-CYBMUJFWSA-N 338.359 3.709 10 40 EHCB COc1cc(C(=O)C(=O)c2ccc(C)cc2Cl)cc(OC)c1OC 6844349 ODQFJAXXACLIDN-UHFFFAOYSA-N 348.782 3.740 10 40 EHCB N=C1/C(=C/c2ccccc2)C(=O)N=C2SC=C(c3ccccc3)N12 13785488 KOAGZKIYOPDLTC-ZRSPDKKLSA-N 331.400 3.991 10 40 EHCB COc1ccc(OC)c(/C=C2\SC(=S)N(C(C)(C)C)C2=O)c1 5371369 SAUQZBCNQLMODV-LCYFTJDESA-N 337.466 3.704 10 40 EHCB COc1cccc2cc(/C=C3\SC(=S)N(C4CC4)C3=O)oc12 12943561 JVPSIXQSKFAWJJ-JYRVWZFOSA-N 331.418 3.805 10 40 EHCB O=C(Nc1cccs1)N(Cc1ccccc1O)C[C@@H]1CCCO1 69514346 ULFCUKMAAXHHHF-AWEZNQCLSA-N 332.425 3.667 10 40 EHCB O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)SC(=S)N1Cc1ccco1 1450932 MKXNOKKSBOIWEG-JYRVWZFOSA-N 346.389 3.589 10 40 EHCB COc1ccc(/C=C2\SC(=S)N(c3ccccc3)C2=O)cc1O 7166015 SOGOFYZNYGQGLT-GDNBJRDFSA-N 343.429 3.807 10 40 EHCB COc1cc(/C=C2\C(=O)N(c3ccc(Cl)cc3)N=C2C)ccc1O 13603081 BORAFOMXOZTEDY-DHDCSXOGSA-N 342.782 3.860 10 40 EHCB Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C)n1-c1ccccc1 222764080 YJXIOZCIFPMTGR-MOPGFXCFSA-N 348.475 3.783 10 40 EHCB Fc1cccc(NC(=S)NCCCN2CCCc3ccccc32)c1 225745711 SQRGQLLKDCVCLJ-UHFFFAOYSA-N 343.471 3.955 10 40 EHCB COc1cccc(NC(=S)NCc2ccc(N3CCCC3)cc2)c1 225423167 DLIDNEHNAGJKHP-UHFFFAOYSA-N 341.480 3.782 10 40 EHCB CCCC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(C)cc2)SC1=S 5371178 NXCIWMCRIVRHEV-ODUNQGDFSA-N 349.477 3.840 10 40 EHCB CC(=O)Nc1ccc(NC2=NC(=O)/C(=C/c3ccc(C)o3)S2)cc1 2702301 MAWJEBFZLHUOBN-DHDCSXOGSA-N 341.392 3.629 10 40 EHCB CN(C)c1ccc(CNCCNc2ccc([N+](=O)[O-])cc2Cl)cc1 6871512 XTMPBWIBYYPOMU-UHFFFAOYSA-N 348.834 3.516 10 40 EHCB c1ccc2c(c1)SCC[C@H]2NCc1ccc(N2CCOCC2)cc1 8428758 WGWDSQHHEKDGQQ-LJQANCHMSA-N 340.492 3.850 10 40 EHCB O=C1N=C(O)/C(=C\c2c[nH]c3ccccc23)C(=O)N1C1CCCCC1 17028474 CWXOZAXGQUQACD-XNTDXEJSSA-N 337.379 3.803 10 40 EHCB CCOc1ccc(/C=C2\SC(=S)N(CC)C2=O)c(OCC)c1 2742365 HLBLZJOUSXGXCI-ZROIWOOFSA-N 337.466 3.705 10 40 EHCB CCOc1ccc(/C=C2\SC(N3CCC[C@@H](C)C3)=NC2=O)cc1 13749807 QKPWJAZGLKTRMX-YYTPVVGHSA-N 330.453 3.788 10 40 EHCB Nc1nn2c(C(F)(F)F)cc(O)nc2c1/N=N/c1cccc(F)c1 18066334 FDBJTLYIYOVPFQ-QZQOTICOSA-N 340.240 3.590 10 40 EHCB CC1=NN(c2nc3ccccc3[nH]2)C(=O)/C1=C/Nc1ccc(C)cc1 18254446 WOLWCVOBKGXYCJ-RVDMUPIBSA-N 331.379 3.590 10 40 EHCB Cc1ccc(Cl)cc1NC(=O)[C@@]12CC[C@@](C)(C(=O)C1=O)C2(C)C 2172643 YRMORVHTSHLNBQ-ZWKOTPCHSA-N 333.815 3.551 10 40 EHCB Cc1cccc(/N=N/c2c(N)nn3c(C(F)(F)F)cc(O)nc23)c1 3849081 RHXPXSHUCNQOFT-QZQOTICOSA-N 336.277 3.760 10 40 EHCB CCCC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccccc2)SC1=S 5371112 DVCUAESYIMTCRG-IXJPEXDMSA-N 335.450 3.531 10 40 EHCB CC(C)c1ccc(/C=C2/C(=O)NN(c3cccc(Cl)c3)C2=O)cc1 5481994 FPWSMRWZXJITGM-YVLHZVERSA-N 340.810 3.925 10 40 EHCB C1=C(c2c[nH]c3ncccc23)CCN(c2ncnc3sccc23)C1 22357200 NZTNTMZBIRWVEQ-UHFFFAOYSA-N 333.420 3.861 10 40 EHCB COc1cc(Br)c(N2CCC(C)CC2)c([N+](=O)[O-])c1 45886279 VUSGSCAIAGHQNE-UHFFFAOYSA-N 329.194 3.602 10 40 EHCB CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C/NC1CCCCC1 100150638 BEJSAHSRNBFOJL-SDNWHVSQSA-N 340.452 3.825 10 40 EHCB CCCCCCN/C=C1/C(=O)N(c2cc(C)cc(C)c2)C(=O)N=C1O 103099722 IZTNKJYDBVRCTL-FOWTUZBSSA-N 343.427 3.780 10 40 EHCB Oc1ccc(Br)cc1C1=NN[C@H](c2ccccc2F)C1 541575 HZCVZSGLDVPISE-ZDUSSCGKSA-N 335.176 3.733 10 40 EHCB biogenic CN(C)c1ccc(/C=C/C(=O)Nc2cc(F)c(N(C)C)c(F)c2)cc1 58415830 JBLRURCLKOSEPH-JXMROGBWSA-N 345.393 3.749 10 40 EHCB Cc1cc(/C=C2/SC(=O)NC2=O)c(C)n1-c1ccc2ncccc2c1 408965587 JBBVGYVEFQZGEB-LICLKQGHSA-N 349.415 3.966 10 40 EHCB CC(C)(C)c1ccc(/C=C2/C(=O)NN(c3cccc(F)c3)C2=O)cc1 17145936 WNSQGWABWNKLCB-BOPFTXTBSA-N 338.382 3.585 10 40 EHCB COc1ccc2cc(C(=O)N(C)Cc3ccc(N(C)C)cc3)[nH]c2c1 28495645 VKHOEVRFAIIAPI-UHFFFAOYSA-N 337.423 3.515 10 40 EHCB Nc1ccc2cc(S(=O)(=O)O)cc(O)c2c1/N=N/c1ccccc1 4523123 AQNYJBKPOPUIHV-VHEBQXMUSA-N 343.364 3.790 10 40 EHCB Cc1ccc(-n2c(C)ccc2C)c(C(=O)Nc2nnc(C)s2)c1 84131369 OHNUEMWAIFBAEB-UHFFFAOYSA-N 326.425 3.815 10 40 EHCB CCc1ccccc1N1C(=O)/C(=C\c2cccn2C)SC1=S 5213991 SAPZPPTVWBIXOB-RVDMUPIBSA-N 328.462 3.993 10 40 EHCB Oc1ccccc1N1CCN(Cc2c(O)ccc3ccccc23)CC1 15250728 RLYCJYISTVPBSJ-UHFFFAOYSA-N 334.419 3.573 10 40 EHCB CCOc1ccc(O)c(CN[C@@H](C)c2cc(OC)ccc2OC)c1 71792496 XIKPHGLMGLZWFZ-ZDUSSCGKSA-N 331.412 3.659 10 40 EHCB Cc1cc(Cl)ccc1NC(=O)[C@@]12CC[C@](C)(C(=O)C1=O)C2(C)C 100621996 WJMKTAYUTQTWMX-QZTJIDSGSA-N 333.815 3.551 10 40 EHCB O=C(O)[C@@H]1[C@H]2CC=C[C@@H]2c2cc(Cl)cc3c2N1C[C@H]1CC=C[C@@H]31 4131716 XIFMNZHDPSPECA-WOIDLZKHSA-N 327.811 3.946 10 40 EHCB CC(C)(C)OC(=O)N1CCN(Cc2c(O)ccc3ccccc23)CC1 12787835 UKUUFOYNOIYDTG-UHFFFAOYSA-N 342.439 3.598 10 40 EHCB Cc1cc(C(=O)N[C@@H]2C[C@@H]2c2ccccc2)c(C)n1-c1ccccn1 67811411 VFRXTVNUSCEFKP-RTBURBONSA-N 331.419 3.775 10 40 EHCB Cc1cc(C)n(CCOC(=O)c2ccc(-n3c(C)ccc3C)cc2)n1 95954166 BCEFKGAVCYDHKJ-UHFFFAOYSA-N 337.423 3.764 10 40 EHCB CCCN1C(=O)/C(=C/c2cccc(OC)c2OCC)SC1=S 409347527 QIEBHCRKVSTERI-RAXLEYEMSA-N 337.466 3.705 10 40 EHCB O=C1/C(=C/C=C/c2ccccc2)C(O)=NC(=S)N1c1ccccc1 341594 RAGJGJAXSOVRAX-NJKRNUQASA-N 334.400 3.914 10 40 EHCB CN(C)c1ccc(N2C(=O)/C(=C\c3ccncc3)SC2=S)cc1 7209135 KPCGIYYBQHNBLT-RVDMUPIBSA-N 341.461 3.553 10 40 EHCB CC(C)(C)c1ccc(/C=C2\SC(=S)N(CCC(=O)O)C2=O)cc1 12381645 MYYCKVZMZUBXMY-RAXLEYEMSA-N 349.477 3.660 10 40 EHCB CC(C)Oc1ccc(NC(=O)N(C)Cc2ccccc2O)c(F)c1 52265462 VZLGMAKJXLBUGR-UHFFFAOYSA-N 332.375 3.982 10 40 EHCB CCN1C(=O)/C(=C/c2ccc(N3CCCC3)cc2F)SC1=S 409375662 NQXFMNHJFZEQNU-ZROIWOOFSA-N 336.457 3.647 10 40 EHCB CC[C@H](C)Oc1ccc(NC(=O)NCc2c(O)cccc2O)cc1 1616037979 DAIMYHPCQZTFCX-LBPRGKRZSA-N 330.384 3.597 10 40 EHCB CCN(CC)c1ccc(CNC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 225281942 NYKGRCCLAWPTFP-UHFFFAOYSA-N 341.411 3.679 10 40 EHCB CCOc1ccc(/C=C2\SC(N3CCC(C)CC3)=NC2=O)cc1 12436473 VBNYWXIOWVJZMD-VBKFSLOCSA-N 330.453 3.788 10 40 EHCB CCOC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1ccc(CC)cc1 409073746 SWAKZCOJESTHGE-PDGQHHTCSA-N 341.451 3.968 10 40 EHCB CCCN1C(=O)S/C(=C\c2ccc(N3CCCC3)c(F)c2)C1=O 409103917 HQMSSROURNWKFC-PTNGSMBKSA-N 334.416 3.872 10 40 EHCB O=S(=O)(Nc1ccc(O)c(Cl)c1)c1ccc2ccccc2c1 2071667 AMEJTNGSGMEXKT-UHFFFAOYSA-N 333.796 4.000 10 40 EHCB CC(=O)c1cccc(N2C(=O)/C(=C\c3cccnc3)SC2=S)c1 27530333 RNDJTMUUGDDXEU-OVCLIPMQSA-N 340.429 3.690 10 40 EHCB CC1=CC(C)(C)N(C)c2ccc(/C=C3/SC(=S)NC3=O)cc21 208448296 JJHANEJYXOLXOU-RIYZIHGNSA-N 330.478 3.807 10 40 EHCB COC(=O)c1cccc2c1N[C@H](c1ccc(C(=O)O)cc1)[C@H]1CC=C[C@@H]21 978926 AWLTWPHKRLCZJX-RVKKMQEKSA-N 349.386 3.998 10 40 EHCB CC(C)c1nnc2n1N1C(=CS[C@@H]1c1ccc(N(C)C)cc1)S2 20746128 JDTVUUMKLPNQEY-OAHLLOKOSA-N 345.497 3.756 10 40 EHCB CN(Cc1ccc(N2CCCCC2)cc1)Cc1noc(C(C)(C)C)n1 48287038 PRLRYOFISQOENB-UHFFFAOYSA-N 342.487 3.989 10 40 EHCB COc1ccccc1N/C=C1\SC(=S)N(Cc2ccco2)C1=O 101343648 PLBDRVKSOLGNSD-ZROIWOOFSA-N 346.433 3.602 10 40 EHCB COc1ccc(N2N=C(C)/C(=C(\C)Nc3cccc(C)n3)C2=O)cc1 112111977 RNIKWPHAFFUOGJ-AQTBWJFISA-N 336.395 3.507 10 40 EHCB Cc1cc(O)c(-c2c(O)ccc3ccccc23)cc1NS(C)(=O)=O 11635018 NRFWBCOFOOWICH-UHFFFAOYSA-N 343.404 3.598 10 40 EHCB CCN(CC)CCCN1C(=O)/C(=C/c2ccc(C)o2)SC1=S 2368836 BVNCFQWXWPTKJH-KAMYIIQDSA-N 338.498 3.521 10 40 EHCB Cc1ccc(NC(=O)c2nc[nH]c2/N=N/c2ccc(O)cc2O)cc1 6025267 KYGWFLYLXUZESK-QURGRASLSA-N 337.339 3.797 10 40 EHCB Cc1cc(C)cc(-n2c(C)cc(C(=O)CSc3nnc[nH]3)c2C)c1 6365851 XSKNBBYAKBAQEZ-UHFFFAOYSA-N 340.452 3.804 10 40 EHCB Cc1ccc(-n2c(C)cc(C(=O)CSc3nnc[nH]3)c2C)cc1F 6365858 SMVYXDJFMFLXPU-UHFFFAOYSA-N 344.415 3.635 10 40 EHCB CCS(=O)(CC)=Nc1cccc2c1C(=O)c1ccccc1C2=O 36559039 LNYJRXXHKKKIOQ-UHFFFAOYSA-N 327.405 3.601 10 40 EHCB O=C(O)c1ccc(N2C(=O)/C(=C\c3cccs3)SC2=S)cc1 975583 PHBZBJSIYNXUGX-XYOKQWHBSA-N 347.442 3.852 10 40 EHCB O=C(c1ccccc1)N1N=C(c2ccncc2)C[C@@H]1c1ccccc1O 6590568 GPHNSFZOKJXIEK-LJQANCHMSA-N 343.386 3.779 10 40 EHCB O=C1N=C(N2CCCCC2)S/C1=C\c1csc(-c2ccco2)n1 96401873 ODLGNCDNEXOCGG-LCYFTJDESA-N 345.449 3.859 10 40 EHCB O=C(Cc1ccccc1F)NCc1ccc(N2CCCCC2)cc1 225446554 GDGSKVNCLHIJEL-UHFFFAOYSA-N 326.415 3.675 10 40 EHCB O=C1/C(=C\c2ccccn2)SC(=S)N1CCc1ccccc1 4747778 OBNSFDFJWQICGV-NTCAYCPXSA-N 326.446 3.526 10 40 EHCB CN(C)c1ccc(-c2nc(-c3ccc4[nH]c(=O)[nH]c4c3)cs2)cc1 16941203 LAUOVTMEHBOMBI-UHFFFAOYSA-N 336.420 3.713 10 40 EHCB O=C(Cc1ccccc1Cl)NCc1ccc(N2CCCC2)cc1 28046824 CBPBODIHOXYENK-UHFFFAOYSA-N 328.843 3.799 10 40 EHCB CCCN(Cc1ccccc1O)C(=O)Nc1cc(OC)ccc1OC 70037231 FNLBTIKZCSTEAW-UHFFFAOYSA-N 344.411 3.854 10 40 EHCB CCOc1ccc(S(=O)(=O)Nc2ccc(O)c3ccccc23)cc1 239842 WPQSHUMVTNKXSP-UHFFFAOYSA-N 343.404 3.745 10 40 EHCB CCOc1ccc(/C=C2\SC(=S)N(CC)C2=O)cc1OCC 2119842 SCLSZHIZEWWQPF-UVTDQMKNSA-N 337.466 3.705 10 40 EHCB O=C(c1cccs1)N1N=C(c2ccncc2)C[C@@H]1c1ccccc1O 6227231 YFAKTJFYONNTDS-MRXNPFEDSA-N 349.415 3.840 10 40 EHCB CCc1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2C)cc1[N+](=O)[O-] 96193261 HLURONQWPRPUHW-BOPFTXTBSA-N 335.363 3.963 10 40 EHCB CC1=NN(c2ccccc2)C(=O)[C@@H]1/N=N/c1cc(-c2ccccc2)n[nH]1 102572078 YTIFJWOFZHKNJD-KGNHYALCSA-N 344.378 3.952 10 40 EHCB O=C1c2ccccc2N[C@H](c2cccc(O)c2O)N1Cc1ccccc1 7884113 CYFZRPIWYOKQLJ-FQEVSTJZSA-N 346.386 3.865 10 40 EHCB CCCC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)NC1CC1 103917740 DOEZIGPOYUOTQS-WJDWOHSUSA-N 340.452 3.825 10 40 EHCB O=C(N[C@@H](c1ccccc1)c1c(O)ccc2ccccc12)[C@H]1CCCO1 41978425 PWOLFCUBWWATNE-CTNGQTDRSA-N 347.414 3.930 10 40 EHCB Cc1nnc([C@@H](C)OC(=O)c2cc(C)n(-c3ccccc3)c2C)o1 48302064 NOFJXHVNEOEWOU-CYBMUJFWSA-N 325.368 3.704 10 40 EHCB CCN1CCc2c(sc3c2C(O)=N[C@@H](c2cccc(C)c2O)N3)C1 6654914 NZHYPXLFJKFDJS-MRXNPFEDSA-N 343.452 3.569 10 40 EHCB COC(=O)CCCCCN1C(=O)/C(=C\c2ccccc2)SC1=S 5214255 RCTZSQOCSPBCCT-WYMLVPIESA-N 349.477 3.621 10 40 EHCB C[C@H]1CCC[C@@H](C)N1Cc1cc2c3c(c(=O)oc2cc1O)CCC3 6078268 RKUHDQVHEZHFQE-BETUJISGSA-N 327.424 3.750 10 40 EHCB COc1ccc(/C=C2\SC(=S)N(C3CCCC3)C2=O)c(OC)c1 13787599 OMAXVODQKXOKRW-DHDCSXOGSA-N 349.477 3.848 10 40 EHCB COC(=O)C1=C(C)N(c2ccccc2F)C(=O)/C1=C\c1ccccc1 408892711 JCGGELXUMUEZQU-QINSGFPZSA-N 337.350 3.703 10 40 EHCB Cc1ccc(O)c(/N=N/c2ccc(S(=O)(=O)N3CCCC3)cc2)c1 100012656 QPHMQXKZHXWDTK-VHEBQXMUSA-N 345.424 3.901 10 40 EHCB CC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)NCCc1ccccc1 103916349 REHSKAAEMPZZKE-RGEXLXHISA-N 337.398 3.655 10 40 EHCB CC(C)CN1C(=O)/C(=C/c2ccc(O)c(Cl)c2)SC1=S 409042512 YAGQHACPKAOTQK-SDQBBNPISA-N 327.858 3.903 10 40 EHCB CC1(C)Oc2c(ccc(O)c2CN2CCOCC2)C2=C1CCCC2 31671826 BSAHUOGGVKKSJD-UHFFFAOYSA-N 329.440 3.723 10 40 EHCB COc1ccc(N2CCN(C(=O)c3cc(C)c(C)cc3C)CC2)cc1 225641646 KEHUHEOHQAUARZ-UHFFFAOYSA-N 338.451 3.583 10 40 EHCB CN(Cc1c(O)ccc2ccccc12)C[C@@H]1COc2ccccc2O1 3415219 YGRUCLUZIYWFDZ-MRXNPFEDSA-N 335.403 3.817 10 40 EHCB COc1ccc(C(=O)NCc2ccc(N3CCCC3)cc2)cc1Cl 96125640 JIIPLQKQWRKLSA-UHFFFAOYSA-N 344.842 3.879 10 40 EHCB CC(=O)c1cccc(N2C(=O)/C(=C\c3ccco3)SC2=S)c1 5371555 RNMJETKTKLOIIB-NTEUORMPSA-N 329.402 3.888 10 40 EHCB O=C(CC1CCCCC1)NCc1ccc(N2CCSCC2)cc1 54035282 VXBIDORICWJNBJ-UHFFFAOYSA-N 332.513 3.826 10 40 EHCB CCO[C@@H](C)c1noc(CSc2ncc(-c3ccccc3)n2C)n1 71914708 DUZVTWRMLAEVJV-LBPRGKRZSA-N 344.440 3.860 10 40 EHCB COC(=O)c1ccc(-n2c(C)cc(-c3csc(N)n3)c2C)cc1 2650731 ZEEUOOOLMCAAPF-UHFFFAOYSA-N 327.409 3.586 10 40 EHCB CCN1C(=O)/C(=C\c2ccccc2OC(F)(F)F)SC1=S 22016080 CNVWYATWURVTFJ-JXMROGBWSA-N 333.356 3.806 10 40 EHCB CC[C@H](C)N1C(=O)c2ccccc2N[C@@H]1c1cccc(OC)c1O 7885518 TXPMDZIDOUHKGS-SGTLLEGYSA-N 326.396 3.766 10 40 EHCB Cc1nn(Cc2ccccc2)c(C)c1CNCc1ccc(N(C)C)cc1 15581966 UBFIXJRYUUQONO-UHFFFAOYSA-N 348.494 3.904 10 40 EHCB Cc1cnc(N2C(=O)[C@@H](C)S[C@H]2c2ccc(N(C)C)cc2)s1 19927678 VQRFFTGSCRYXFF-ABAIWWIYSA-N 333.482 3.685 10 40 EHCB O=C(O)CCc1ccc(-c2ccccc2)n1-c1ccc(C(=O)O)cc1 559577 MVGJZEFMJHORGT-UHFFFAOYSA-N 335.359 3.860 10 40 EHCB CCOc1ccccc1NC1=NC(=O)/C(=C/c2cccn2C)S1 6870659 VNHITEFTHYAAKX-PTNGSMBKSA-N 327.409 3.506 10 40 EHCB CN(C)c1ccc(N2C(=O)/C(=C\c3cccnc3)SC2=S)cc1 7209117 DOUOZIMZLRYCFD-XNTDXEJSSA-N 341.461 3.553 10 40 EHCB COc1ccc(C2=NN(C(=O)C(C)C)[C@@H](c3ccccc3O)C2)cc1 12779269 VMLNYTBSGBSJTM-GOSISDBHSA-N 338.407 3.735 10 40 EHCB CCOC(=O)c1ccc(N2N=C(C)/C(=C/c3ccc(C)o3)C2=O)cc1 5150671 RRNWQXVUTKCTLK-BOPFTXTBSA-N 338.363 3.571 10 40 EHCB CC1=NN(c2ccc(C)c(Cl)c2)C(=O)/C1=C\c1ccc(O)cc1O 6033861 MUKXGRIEYUMMJY-CHHVJCJISA-N 342.782 3.866 10 40 EHCB Cn1ncc2c1CCC[C@H]2NCc1cc(Cl)cc(Cl)c1O 37087356 XQQBKAYQGIQXRX-CYBMUJFWSA-N 326.227 3.600 10 40 EHCB O=C([C@H]1C[C@H]1c1cccnc1)N(Cc1ccco1)Cc1ccccc1O 69975217 PPOPCODETVKEFA-OALUTQOASA-N 348.402 3.713 10 40 EHCB Cc1c([C@@H](C)NCc2ccccc2O)cnn1-c1ccc(F)cc1 71792566 GEJIWEJSQSJSOK-CYBMUJFWSA-N 325.387 3.876 10 40 EHCB CC(C)[C@](C)(CNC(=O)OC(C)(C)C)NCc1ccc2c(c1)CCO2 75612510 JSGKMIJVSGULQM-FQEVSTJZSA-N 348.487 3.651 10 40 EHCB CCCN1C(=O)/C(=C\c2cc(Cl)c(O)c(OC)c2)SC1=S 409343506 HWELPJBIIXEGDB-YRNVUSSQSA-N 343.857 3.665 10 40 EHCB O=C1/C(=C/c2ccc(Cl)cc2)SC(=S)N1C[C@@H]1CCCO1 13584043 PANDWSGQYRFOLI-OEMOTLHWSA-N 339.869 3.720 10 40 EHCB COc1cccc(/C=C2\C(=O)N(c3ccc(Cl)cc3)N=C2C)c1O 16948894 MFRPEIYAKGDGBX-GDNBJRDFSA-N 342.782 3.860 10 40 EHCB CN(Cc1c(O)ccc2ccccc12)C[C@H]1COc2ccccc2O1 3415214 YGRUCLUZIYWFDZ-INIZCTEOSA-N 335.403 3.817 10 40 EHCB C[C@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2ccc(N(C)C)cc2)S1 222560388 RNJNNFWPERLUPS-KKXDTOCCSA-N 338.480 3.737 10 40 EHCB CCc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1 408850342 LVHHVTVNMOTAPA-LDADJPATSA-N 348.402 3.532 10 40 EHCB Cc1ccc(-n2c(CC(=O)O)cc3c2CC(C)(C)CC3=O)cc1C 16778527 ZCTZFKFUORWOOA-UHFFFAOYSA-N 325.408 3.876 10 40 EHCB Cc1ccc(SCCNC(=O)CSc2nccs2)cc1C 32932510 QTJLPFCMDCQFQR-UHFFFAOYSA-N 338.523 3.761 10 40 EHCB CCN1C(=O)S/C(=C/c2ccc(N3CCCCC3)cc2F)C1=O 409071132 DVOHKAIVZUVUBI-XNTDXEJSSA-N 334.416 3.872 10 40 EHCB CCn1cc(/C=C2/C(=O)N(C(C)(C)C)C(=O)N=C2O)c2ccccc21 2263449 PGQGQQDERZHKLX-GXDHUFHOSA-N 339.395 3.762 10 40 EHCB CCN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S 1188420 LYEQQFWNXRSVHZ-YFHOEESVSA-N 328.256 3.670 10 40 EHCB COc1ccc(/C=C2/SC(=S)N(c3cccc(O)c3)C2=O)cc1 1297960 UVRHTJTWCWFYPX-OQLLNIDSSA-N 343.429 3.807 10 40 EHCB CCc1ccc(C[C@@H]2SC(=S)N(Cc3ccco3)C2=O)cc1 8085508 SZLGJAIZGPPAFD-HNNXBMFYSA-N 331.462 3.814 10 40 EHCB Cc1ccc(C)n1-c1ccc(C(=O)OCC(=O)Nc2ccccc2)cc1 6404926 NWHRRLSXULTDSA-UHFFFAOYSA-N 348.402 3.890 10 40 EHCB CC(C)C1=NN2C(=N)/C(=C/c3cccc(Cl)c3)C(=O)N=C2S1 27839103 AXUZSXNIYRFWEN-XZPRFMIFSA-N 332.816 3.615 10 40 EHCB CCc1ccccc1N1C(=O)N=C(O)/C(=C\c2cccs2)C1=O 8742593 MFWLOWFQJKSELK-JLHYYAGUSA-N 326.377 3.817 10 40 EHCB CCN(CCNC(=S)Nc1cccc(OC)c1)c1ccc(C)cc1 225792688 ROCKTQZLVAXFQK-UHFFFAOYSA-N 343.496 3.817 10 40 EHCB CCCN1C(=O)N/C(=C/c2cc(C)n(-c3ccc(F)cc3)c2C)C1=O 409241000 MTSJHUYKUMZHAM-GZTJUZNOSA-N 341.386 3.536 10 40 EHCB CSC1=NC(=O)/C(=C/c2cccc(Oc3ncccn3)c2)S1 4088947 OTCLIDVEDAJWJD-XFXZXTDPSA-N 329.406 3.602 10 40 EHCB CN(Cc1ccccc1O)C(=O)C(=O)c1ccc(C(C)(C)C)cc1 66046889 DSGFJVGJXHBHIQ-UHFFFAOYSA-N 325.408 3.531 10 40 EHCB CCN(CC)c1ccc(/C=C2/NC(=O)N(c3ccccc3)C2=O)cc1 199198 AVBLEQIAZGVXDA-NBVRZTHBSA-N 335.407 3.630 10 40 EHCB O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccccc1 4610612 KOJOUCAVSDKDPR-UHFFFAOYSA-N 327.339 3.714 10 40 EHCB Cc1ccc(NC2=NC(=O)/C(=C\c3cccc([N+](=O)[O-])c3)S2)cc1 7164964 YMHHOEBZTSDMLA-XNTDXEJSSA-N 339.376 3.986 10 40 EHCB CCc1sc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1C 7181467 IBUJTQNYVRKZJG-UHFFFAOYSA-N 344.480 3.590 10 40 EHCB FC(F)(F)c1ccccc1-c1ccc(C(=S)N2CCOCC2)o1 9305564 FVEZQZCVIZRZQV-UHFFFAOYSA-N 341.354 3.973 10 40 EHCB Cc1cc(Cl)cc(Cl)c1OCC(=O)Nc1ccc(N)cc1 227158617 FMPILLFUYVBNAG-UHFFFAOYSA-N 325.195 3.902 10 40 EHCB CCCC[C@H](C(=O)O)N1C(=O)/C(=C\c2cccs2)SC1=S 4745688 CMEZJBQFAUUVPY-MXBGMFSPSA-N 341.479 3.593 10 40 EHCB O=C([C@@H]1C[C@@H]1c1cccnc1)N(Cc1ccco1)Cc1ccccc1O 69975204 PPOPCODETVKEFA-RTBURBONSA-N 348.402 3.713 10 40 EHCB CN(C)c1ccc(CNC(=O)[C@@H]2CCCO[C@H]2c2ccccc2)cc1 40156168 YAAMZEPZCRRSNK-UXHICEINSA-N 338.451 3.537 10 40 EHCB c1cc(OC[C@@H]2CO2)ccc1/N=N\c1ccc(OC[C@H]2CO2)cc1 104203966 ZXKWAVIXAFUNSC-JWVWLSPISA-N 326.352 3.657 10 40 EHCB Cc1cccc(OCC(=O)NCc2ccc(N3CCCCC3)cc2)c1 222754540 VGWQARGOQPCHDF-UHFFFAOYSA-N 338.451 3.681 10 40 EHCB CC(C)(Oc1ccc(Br)cc1)C(=O)Nc1ccc(N)cc1 227147972 FFKXFOUBDJFUCK-UHFFFAOYSA-N 349.228 3.827 10 40 EHCB Oc1ccccc1CN(Cc1ccco1)Cc1nnc(C2CCC2)o1 96410330 CABJMYFGZVMCDH-UHFFFAOYSA-N 339.395 3.838 10 40 EHCB C[C@@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)OC(=O)/C(=C/O)C[C@H]12 104270675 LUCOQXWMBYAVDV-IUXJNKGJSA-N 334.456 3.737 10 40 EHCB O=C(/C=C/c1ccc(O)c(O)c1)N[C@@H](c1ccc(F)cc1)C1CC1 95997795 HGGVKEFKQHWVGW-ZZVNXXJOSA-N 327.355 3.518 10 40 EHCB COCc1ccccc1NC(=O)NCc1ccc(N2CC=CC2)cc1 101241529 BEXDQCHKGGZULW-UHFFFAOYSA-N 337.423 3.531 10 40 EHCB O=C1/C(=C/c2ccc(O)c(O)c2)SC(=S)N1c1ccccc1 2892122 HRAFGHWKNFRMCY-ZROIWOOFSA-N 329.402 3.504 10 40 EHCB CCN1C(=O)/C(=C/c2ccc(N3CCCC3)cc2OC)SC1=S 6350231 NTUKBHVNQUDAEL-GDNBJRDFSA-N 348.493 3.517 10 40 EHCB COc1ccc(N2CCN(C(=S)Nc3ccc(C)cc3)CC2)cc1 13555776 FENLHMVKLYQMQW-UHFFFAOYSA-N 341.480 3.523 10 40 EHCB COC(=O)c1ccccc1NCc1cc(Br)ccc1O 44836167 ZFTXGFHHEWJTPE-UHFFFAOYSA-N 336.185 3.553 10 40 EHCB C[C@H](NC(=S)Nc1ccncc1)c1ccc(N2CCCC2)cc1 225697191 HHQGWXYFPXCUJV-AWEZNQCLSA-N 326.469 3.729 10 40 EHCB COc1ccc(/N=N/N=c2/sc3cc(OC)ccc3n2C)cc1 5580256 YVBHXLSKGYTHJX-YWNVXTCZSA-N 328.397 3.857 10 40 EHCB CCCCN/C(C)=C1\C(=O)N(c2nc3ccccc3s2)N=C1C 112111009 WAOKKDQBEMARQZ-PTNGSMBKSA-N 328.441 3.683 10 40 EHCB CCCCOC(=O)c1c2c(n3ccccc13)C(=O)c1ccccc1C2=O 3635750 RGQQGRWZABJUAJ-UHFFFAOYSA-N 347.370 3.672 10 40 EHCB CC(=O)Nc1ccc(NC2=NC(=O)/C(=C\c3cccs3)S2)cc1 5372800 DVNWCBXYTWTZSN-NTEUORMPSA-N 343.433 3.789 10 40 EHCB CC(=O)Nc1ccc(OC(=O)c2cc(C)n(-c3ccccn3)c2C)cc1 69538045 MGLSFKVBHQJJNT-UHFFFAOYSA-N 349.390 3.667 10 40 EHCB O=C(NCCCSc1nccs1)N1CCC[C@H]1c1ccncc1 95413621 XBBSPZDCGFUDOW-AWEZNQCLSA-N 348.497 3.567 10 40 EHCB CC[C@@H](C)N1C(=O)/C(=C\c2ccc(Cl)cc2)C(C(=O)OC)=C1C 409016293 TTYNREQMRBNNHC-MKVLZVNKSA-N 333.815 3.811 10 40 EHCB Cc1c(Cl)cccc1-n1c(C)cc(/C=C2/NC(=O)N(C)C2=O)c1C 409190295 RQJWABVGXIXDMS-OQLLNIDSSA-N 343.814 3.578 10 40 EHCB COc1ccc(NC(=O)NCc2ccc(N3CCCC3)cc2)cc1 31091142 RIVDKXIBISACQP-UHFFFAOYSA-N 325.412 3.617 10 40 EHCB Cc1cc(C(=O)COC(=O)C2CCC2)c(C)n1-c1ccccc1F 6639354 XKZGSPJCTHIZPW-UHFFFAOYSA-N 329.371 3.759 10 40 EHCB CCCCOc1ccc(C(=O)NCc2ccc(N(C)C)cc2)cc1 8170949 UAGZVAVVSPYNGA-UHFFFAOYSA-N 326.440 3.862 10 40 EHCB O[C@]1(c2ccccc2)CCN(Cc2ccc(N3CCCC3)c(F)c2)C1 12241270 QLWAQEKGPVBMCK-OAQYLSRUSA-N 340.442 3.519 10 40 EHCB CN(C)c1ccc(CNC(=O)c2cc3cc(Cl)ccc3[nH]2)cc1 46542790 KRPUFJUTMKRHKV-UHFFFAOYSA-N 327.815 3.817 10 40 EHCB CCc1ccc(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)s1 409135453 RAHNULISSBEUHK-UVTDQMKNSA-N 342.445 3.711 10 40 EHCB CCOc1ccccc1N1C(=O)/C(=C/c2ccncc2)SC1=S 1247728 VVZJEEHJIODPGA-PTNGSMBKSA-N 342.445 3.886 10 40 EHCB Cc1ccc(/C=C2/SC(=S)N(CCCCCC(=O)O)C2=O)cc1 1766401 ZIYCXWQWXZKZBN-SDNWHVSQSA-N 349.477 3.841 10 40 EHCB CN(C)c1ccc([C@H]2Nc3ccccc3C(=O)N2CC(F)(F)F)cc1 7113229 OSJGYSZJIQDBEY-INIZCTEOSA-N 349.356 3.881 10 40 EHCB CC(C)c1ccc(NC(=O)c2cn(Cc3ccc(N)cc3)cn2)cc1 71775244 BEJCWJBBGKWLLH-UHFFFAOYSA-N 334.423 3.889 10 40 EHCB CCOc1cc(/C=C2\SC(=S)N(C3CCCC3)C2=O)ccc1O 4745831 LOTKOXQSNHMBDY-GDNBJRDFSA-N 349.477 3.935 10 40 EHCB CC(C)CN1C(=O)/C(=C/c2c[nH]nc2-c2ccccc2)SC1=S 4981888 XVWNZWUBQWZRRP-ZSOIEALJSA-N 343.477 3.934 10 40 EHCB Cc1noc(C(C)C)c1C(=O)NCc1ccc(N2CCCC2)cc1 28330211 CQJJHPLOOIKQMX-UHFFFAOYSA-N 327.428 3.637 10 40 EHCB CC[C@@H](C(=O)O)N1C(=O)/C(=C/C(C)=C\c2ccccc2)SC1=S 32701793 KJENGCMUGBOVLB-YYTCZBFVSA-N 347.461 3.697 10 40 EHCB CN(C)c1ccc(CN(CC(F)(F)F)C(=O)CC(F)(F)F)cc1 83854284 QMCYBBGZZNNADN-UHFFFAOYSA-N 342.283 3.596 10 40 EHCB CCOC(=O)CC1(c2cc(C)ccc2C)C(=O)c2ccccc2C1=O 408734574 YIZOVPYOLTYDNY-UHFFFAOYSA-N 336.387 3.574 10 40 EHCB Cc1ccc(O)c(C2=NN[C@H](c3cc(Br)ccc3O)C2)c1 950330 UHACMSRMHDDGBU-AWEZNQCLSA-N 347.212 3.607 10 40 EHCB O=Cc1ccc(/C=C2\SC(=S)N(c3ccccc3)C2=O)cc1 16675837 QKAPYFWWPXZVLS-GDNBJRDFSA-N 325.414 3.905 10 40 EHCB Cc1ccnn1-c1cccc(NC(=O)N(C)Cc2ccccc2O)c1 78550174 RMSNKGCMUXLRRA-UHFFFAOYSA-N 336.395 3.550 10 40 EHCB CC1=CC2=NC(=O)/C(=C\c3cc(C)n(-c4ccccc4)c3C)C(=N)N2O1 4921793 IETCWNQSLROKHI-RZZJTRJGSA-N 346.390 3.545 10 40 EHCB O=C1N=C(Nc2ccccc2C(=O)O)S/C1=C\c1ccccc1F 5372934 RBKPQVYHLNICQY-ZROIWOOFSA-N 342.351 3.606 10 40 EHCB CCOc1ccccc1/C=C1\SC(N2CCCCCC2)=NC1=O 9188855 AOTIFZOYTHWMOZ-SSZFMOIBSA-N 330.453 3.932 10 40 EHCB CC[C@H](NCC1CCN(c2ccncc2)CC1)c1ccccc1O 156441248 CGBSKDBGSFSUFR-IBGZPJMESA-N 325.456 3.745 10 40 EHCB CC(C)OC(=O)c1ccc(NCc2cc(O)ccc2O)cc1Cl 1650609 KYIFXDFKSZAPFG-UHFFFAOYSA-N 335.787 3.929 10 40 EHCB O=C(O)CCCCCN1C(=O)/C(=C/[C@H]2CC=CCC2)SC1=S 2687970 FQDCUPGGABZIJU-KLDSGFLGSA-N 339.482 3.732 10 40 EHCB Oc1cc2ncnc(Nc3cccc(Br)c3)c2cc1O 3815038 CZMCXMIIVHUIPE-UHFFFAOYSA-N 332.157 3.547 10 40 EHCB COC(=O)c1sc2nc3c(c(C(F)(F)F)c2c1N)CCCC3 4228007 MMKKNWVTLLWJTF-UHFFFAOYSA-N 330.331 3.563 10 40 EHCB CCCC[C@@H](C(=O)O)N1C(=O)/C(=C/c2cccs2)SC1=S 6635779 CMEZJBQFAUUVPY-DFYQSJSGSA-N 341.479 3.593 10 40 EHCB CCOc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)ccc1OC 13880015 SKJSXHHACBCPMW-ATVHPVEESA-N 336.391 3.900 10 40 EHCB O=Cc1ccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1 1001115 QKAPYFWWPXZVLS-XNTDXEJSSA-N 325.414 3.905 10 40 EHCB Cc1cc(N[C@H](c2ccccn2)c2ccc3cccnc3c2O)no1 86516 UGIJXGPDGPQILA-SFHVURJKSA-N 332.363 3.833 10 40 EHCB O=C(Nc1ccc(F)cc1)N(Cc1ccccc1O)C[C@H]1CCCO1 32937677 KJFCEGMNZAQOBR-QGZVFWFLSA-N 344.386 3.744 10 40 EHCB COc1cccc(CNC(=O)Nc2ccc(C(F)(F)F)cc2)c1O 57881886 UVEIEAYJMWLOLG-UHFFFAOYSA-N 340.301 3.741 10 40 EHCB O=C1/C(=C\Nc2ccc(Cl)cc2)C=NN1c1cccc(Cl)n1 100401409 GLVSNLIXWFTYMG-NTMALXAHSA-N 333.178 3.717 10 40 EHCB Cc1cccc(C(=O)N2C(=O)/C(=C\c3ccco3)SC2=S)c1 408718850 APAYELKXAKRUFU-UKTHLTGXSA-N 329.402 3.630 10 40 EHCB CCCCN1C(=O)/C(=C/N(C(C)=O)c2ccccc2)SC1=S 3152410 QOAVHCZTNQQAIK-KAMYIIQDSA-N 334.466 3.541 10 40 EHCB Cc1cn(-c2ccccc2)nc1NC(=O)N(C)Cc1ccccc1O 78611797 KPHBSKGHMJFHNZ-UHFFFAOYSA-N 336.395 3.550 10 40 EHCB CC(=O)c1ccc(N2CCN(Cc3cc(C)c(C)cc3O)CC2)cc1 9157641 IZURPQMWTRWWRX-UHFFFAOYSA-N 338.451 3.534 10 40 EHCB CCc1ncnc(N(Cc2ccco2)Cc2ccccc2O)c1F 95985524 FKVCEJWMWSYCOP-UHFFFAOYSA-N 327.359 3.684 10 40 EHCB CC(C)(C)c1noc(CN(Cc2ccco2)Cc2ccccc2O)n1 69696645 SYOPOJIAKYGIIL-UHFFFAOYSA-N 341.411 3.868 10 40 EHCB COC(=O)c1cccc2c1N[C@H](c1ccccc1C(=O)O)[C@@H]1CC=C[C@@H]21 409170991 YAUUKYQPNMPUSF-VFVRVIDISA-N 349.386 3.998 10 40 EHCB CCN(CCCNC(=O)c1ccc(C)cc1C)c1ccc(OC)cc1 225058477 ZRROUOOLRYFXMP-UHFFFAOYSA-N 340.467 3.958 10 40 EHCB C[C@H]1c2ccsc2CCN1Cc1ccc(N2CCOCC2)c(F)c1 19498355 DBEPYPKHFHLPLH-AWEZNQCLSA-N 346.471 3.843 10 40 EHCB CN(C)c1ccc(CNC(=O)[C@H]2CCCO[C@@H]2c2ccccc2)cc1 40156167 YAAMZEPZCRRSNK-VQTJNVASSA-N 338.451 3.537 10 40 EHCB Cc1ccc(C2=NN[C@H](c3cc(Br)ccc3O)C2)cc1 568193 WWUJLQOIOLIXCP-HNNXBMFYSA-N 331.213 3.902 10 40 EHCB CN(C)c1ccc(/C=C/C(=O)NCCCOC2CCCCC2)cc1 30014573 XCCPJYRQZIPJCZ-SDNWHVSQSA-N 330.472 3.621 10 40 EHCB Cc1ccccc1Nc1c(-c2ccc(O)c(O)c2)nc2ncccn12 35606387 YNJOAYIJSUJEEF-UHFFFAOYSA-N 332.363 3.860 10 40 EHCB O=C1NC(=S)/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)S1 13584536 OOTQXCAZHQMSHA-GHXNOFRVSA-N 332.362 3.980 10 40 EHCB COc1ccc(CC(=O)NCc2ccc(N3CCCCC3)cc2)cc1 22517752 RXYMJAFJGZJBLS-UHFFFAOYSA-N 338.451 3.544 10 40 EHCB CCN1C(=O)/C(=C/c2cc(C)n(-c3ccccn3)c2C)SC1=S 33768245 RLMGXJAWGQIREG-UVTDQMKNSA-N 343.477 3.710 10 40 EHCB CCOc1ccc(C(=O)NCc2ccc(N3CCCC3)cc2)cc1C 224390458 XLGSFNUGSQMGLB-UHFFFAOYSA-N 338.451 3.924 10 40 EHCB O=C1NN=C(C(F)(F)F)/C1=C/Nc1ccc(Oc2ccccc2)cc1 13394921 MUJKNWMKAIBWNC-UVTDQMKNSA-N 347.296 3.823 10 40 EHCB O=C1/C(=C\C=C\c2ccco2)SC(=S)N1c1ccc(O)cc1 27533632 YIPZYGCMVAMSCZ-GSPDUGTFSA-N 329.402 3.947 10 40 EHCB O=C(Nc1nncs1)N(Cc1ccccc1O)C1CCCCC1 65562503 MTSFNJVXRRNULY-UHFFFAOYSA-N 332.429 3.611 10 40 EHCB O=C1/C(=C\c2ccco2)N=C(c2ccccc2F)N1c1ccc(O)cc1 408759919 OBWRVIYJNDTVQB-LDADJPATSA-N 348.333 3.959 10 40 EHCB O=C1c2ccccc2N[C@H](c2ccc(O)c(O)c2)N1Cc1ccccc1 7884126 CQHJPMKTUVHNFL-FQEVSTJZSA-N 346.386 3.865 10 40 EHCB CNC(=O)c1cccc(NC(=O)c2ccc(-n3c(C)ccc3C)cc2)c1 24039734 JEJKAOUZMIEQOD-UHFFFAOYSA-N 347.418 3.706 10 40 EHCB COc1cccc(N/C=C2\SC(=S)N(C3CCCC3)C2=O)c1 102581265 ISROEILLXPVUEL-UVTDQMKNSA-N 334.466 3.751 10 40 EHCB COc1ccc(C2=C/C(=C/c3cccc(OC)c3OC)C(=O)O2)cc1 199946 JRFWQBVKCVSPTO-PTNGSMBKSA-N 338.359 3.694 10 40 EHCB Cc1cc(=O)oc2c(CN3CC[C@@H](c4ccccc4)C3)c(O)ccc12 85875670 YAOFZBMTCQLESX-MRXNPFEDSA-N 335.403 3.797 10 40 EHCB biogenic CC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)NCCc1cccs1 103916948 JIZBGOLUBGIZSI-ATVHPVEESA-N 343.427 3.716 10 40 EHCB CCN(CC)c1ccc(CNC(=O)[C@@H](C)Oc2ccc(C)cc2)cc1 225651558 YTCYMWTVGHGIIQ-QGZVFWFLSA-N 340.467 3.925 10 40 EHCB Nc1ccc2c(O)c(/N=N/c3ccccc3)c(S(=O)(=O)O)cc2c1 4523151 XLFWWVGLOLLVHO-VHEBQXMUSA-N 343.364 3.790 10 40 EHCB COc1ccc(N(C)CCNC(=S)Nc2ccc(C)c(C)c2)cc1 225797338 RZKWRNZBAIKBPC-UHFFFAOYSA-N 343.496 3.735 10 40 EHCB COc1ccc(-n2c(C)cc(C(=O)N3CCC(C)CC3)c2C)cc1 10742395 UUAMDOJADMSAAX-UHFFFAOYSA-N 326.440 3.975 10 40 EHCB O=C1N=C(N2CCCCC2)S/C1=C/c1ccc(OC(F)F)cc1 96401279 LEKMUGJMDWUNAS-JLHYYAGUSA-N 338.379 3.744 10 40 EHCB CC[C@H](C)Oc1ccc(/C=C2/SC(=S)N(C)C2=O)cc1OC 409350620 YOASJOOKIDTDPR-RSYJBZMQSA-N 337.466 3.704 10 40 EHCB Cc1nn(-c2ccccc2)c(Cl)c1/C=C1\SC(=S)N(C)C1=O 13471652 HAKWNMXKVXGEEM-WQLSENKSSA-N 349.868 3.665 10 40 EHCB O=C(CCCOc1ccccc1)NCc1ccc(N2CCCC2)cc1 13646362 IYIXVAHIBCSDHG-UHFFFAOYSA-N 338.451 3.762 10 40 EHCB Cc1ccc(CN(CCCn2ccnc2)Cc2ccccc2O)o1 43277746 FPZKZKHCMIDEFG-UHFFFAOYSA-N 325.412 3.583 10 40 EHCB C[C@@H]1Oc2ccccc2C=C1/C=C1\SC(Nc2ccccn2)=NC1=O 54361097 JRGLBLRFMOHYNE-IEMQHYRPSA-N 349.415 3.871 10 40 EHCB CC(C)[C@H](NC(=O)OC(C)(C)C)[C@@](O)(CN=[N+]=[N-])c1ccccc1 72207943 NYVVOYWRTCDZMA-WMLDXEAASA-N 334.420 3.734 10 40 EHCB O=C(NCc1ccccc1O)c1ccccc1C(=O)c1ccccc1 84519323 QRIAOSKSEIPFDL-UHFFFAOYSA-N 331.371 3.553 10 40 EHCB CN1C(=O)/C(=C\c2cc(Cc3ccccc3)ccc2O)SC1=S 3893759 YOZPSZZZHYTQPM-LFIBNONCSA-N 341.457 3.814 10 40 EHCB CN(C)c1ccc(/C=C2\SC(=O)N(c3cccc(O)c3)C2=O)cc1 5376233 PDDCFYKQGNYQKI-YBEGLDIGSA-N 340.404 3.699 10 40 EHCB COc1ccc(C2=C/C(=C\c3ccc(OC)c(OC)c3)C(=O)O2)cc1 6627035 AZIDSSSEAMNNCT-XNTDXEJSSA-N 338.359 3.694 10 40 EHCB COc1cccc(/C=C2/C=C(c3ccc(OC)cc3OC)OC2=O)c1 13616755 IBVLUZXNACLUDR-ZROIWOOFSA-N 338.359 3.694 10 40 EHCB C1=C(c2c[nH]c3ncccc23)CCN(c2ncnc3ccsc23)C1 25151291 SLKHLKLPNHHXRZ-UHFFFAOYSA-N 333.420 3.861 10 40 EHCB CCc1ccc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)s1 409090224 LJKQLUHCHCRACG-GARZTLJTSA-N 339.507 3.691 10 40 EHCB O=C1/C(=C/c2ccccc2O)SC(=S)N1Cc1ccccc1 1009741 VLXOALANDYHFIS-GDNBJRDFSA-N 327.430 3.794 10 40 EHCB COc1ccc(O)c(CN(Cc2ccccc2)C[C@@H]2CCCO2)c1 13993301 MZXYCYOTIUBLTD-IBGZPJMESA-N 327.424 3.582 10 40 EHCB Oc1ccc2ccccc2c1CN1CCN(Cc2cccs2)CC1 22794609 RISCCNYUBLJOFB-UHFFFAOYSA-N 338.476 3.925 10 40 EHCB CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1cc(C2CC2)[nH]n1 44858277 RCMUCYUVEPRGMD-UHFFFAOYSA-N 338.455 3.550 10 40 EHCB CCCn1c(C)nnc1CSc1ncc(-c2ccccc2)n1C 95448522 BKNJBPAMUDEZBI-UHFFFAOYSA-N 327.457 3.689 10 40 EHCB CNc1ccc(Cl)cc1C(=O)c1cc(OC)c(OC)c(OC)c1 261973 RHYSABVJUQRRBF-UHFFFAOYSA-N 335.787 3.639 10 40 EHCB O=C1c2ccccc2-c2c1c1ccccc1c(=O)n2Cc1ccco1 1578553 ZPFUGHSCVQWWBR-UHFFFAOYSA-N 327.339 3.854 10 40 EHCB biogenic CN(C)c1ccc(C(O)(c2ccc(N(C)C)cc2)C(F)(F)F)cc1 43463863 AAHPSNVUXLZRCZ-UHFFFAOYSA-N 338.373 3.617 10 40 EHCB COc1ccc(N(Cc2nnc(-c3ccco3)o2)C(C)C)cc1F 72598524 GJSXFSRXIMTGEG-UHFFFAOYSA-N 331.347 3.892 10 40 EHCB Cc1ccc(C)n1-c1ccc(C(=O)N2CCc3ccc(O)cc3C2)cc1 95356884 RCZKGKXGWUATFE-UHFFFAOYSA-N 346.430 3.998 10 40 EHCB CN(C)c1ccc(CNCc2cc(Cl)c3c(c2)OCCCO3)cc1 17318104 CCQMCOGJTFRTGO-UHFFFAOYSA-N 346.858 3.857 10 40 EHCB C[n+]1c(/C=C/c2cn(CC(=O)O)c3ccccc23)sc2ccccc21 585673011 ZSPJULVPXXHJNA-UHFFFAOYSA-O 349.435 3.936 10 40 EHCB COC(=O)C1=C(C)N([C@H](C)c2ccccc2)C(=O)/C1=C\c1ccco1 92683 QYHKIFGEJVZNBA-KAECEXQPSA-N 337.375 3.713 10 40 EHCB CCOC(=O)/C(=C\c1ccc(N(C)C)cc1)c1nc2ccccc2[nH]1 5011922 XXUPOMSXDZQKHH-SSZFMOIBSA-N 335.407 3.733 10 40 EHCB Cc1ccc(/C=C2/SC(Nc3ccccc3)=NC2=O)cc1[N+](=O)[O-] 84190153 CNXFSEGKROIYTN-XNTDXEJSSA-N 339.376 3.986 10 40 EHCB CCc1ccc(NC2=NC(=O)/C(=C/c3ccc(O)c(O)c3)S2)cc1 6870994 UWCAIGHNSUIIHE-YBEGLDIGSA-N 340.404 3.743 10 40 EHCB O=C1N=C(Nc2cccnc2)S/C1=C/c1ccc2ncccc2c1 9419029 OGCPDQPXGHRRAQ-MHWRWJLKSA-N 332.388 3.712 10 40 EHCB CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(O)cc1O 16160929 ITYIDHFBJGRYHP-NVNXTCNLSA-N 328.755 3.557 10 40 EHCB O=C1/C(=C/c2ccccc2)SC(=S)N1CCc1ccc(O)cc1 54360741 UUCODXVQMJJYKZ-VBKFSLOCSA-N 341.457 3.836 10 40 EHCB C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)Nc1cn[nH]c1 58202413 WILWOTSLSNJPNK-AWEZNQCLSA-N 336.395 3.911 10 40 EHCB CN1CCCc2cc(CNCc3ccc(OC(F)F)cc3)ccc21 58438176 KULQUSKOCRIBRU-UHFFFAOYSA-N 332.394 3.960 10 40 EHCB CC1=NN(c2ccc(C)cc2C)C(=O)/C1=C/Nc1ccc(C(=O)O)cc1 34208897 KPLLEWOZBFSHPM-GZTJUZNOSA-N 349.390 3.720 10 40 EHCB O=C(CCc1ccc(F)cc1)NCc1ccc(N2CCCC2)cc1 41365436 YEQAYSRKRIHQCN-UHFFFAOYSA-N 326.415 3.675 10 40 EHCB CN(C)c1ccc([C@@H]2OCCCN2Cc2ccccc2)cc1[N+](=O)[O-] 59489919 GKZHVXHAFWDNEM-IBGZPJMESA-N 341.411 3.582 10 40 EHCB CCOc1ccc(NC(=S)NCCN(C)c2ccc(C)cc2)cc1 225795257 WQHWWSSQXSUBJC-UHFFFAOYSA-N 343.496 3.817 10 40 EHCB CC[C@H](C)N1C(=O)c2ccccc2N[C@H]1c1cccc(OC)c1O 7885515 TXPMDZIDOUHKGS-KPZWWZAWSA-N 326.396 3.766 10 40 EHCB CC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(C(C)C)cc2)SC1=S 5374225 RURQXHJBWREAOJ-GFAPJHNFSA-N 349.477 3.874 10 40 EHCB NC1=NN(c2ccccc2)C(=O)/C1=C\c1c(Cl)cccc1Cl 72332471 DDNDMBVVURVXBI-XFXZXTDPSA-N 332.190 3.696 10 40 EHCB COCCN1C(=O)/C(=C/c2cccc(Cl)c2Cl)SC1=S 96019545 IBAHWMXWAQHORJ-YFHOEESVSA-N 348.276 3.841 10 40 EHCB C[C@H]1CCC[C@H](C)N1Cc1c(O)ccc2c3c(c(=O)oc12)CCC3 122747 BXBZFKOKZVDMTA-STQMWFEESA-N 327.424 3.750 10 40 EHCB CN(Cc1ccc(N(C)C)cc1)C(=O)c1cccc(Br)c1 18150453 BKHUIDDFIXQKGC-UHFFFAOYSA-N 347.256 3.787 10 40 EHCB COC(=O)c1ccc([C@@H]2Nc3ccc(C(=O)O)cc3[C@H]3C=CC[C@H]32)cc1 4140419 QNNQRBONDFMTCC-FCEWJHQRSA-N 349.386 3.998 10 40 EHCB CCn1c(-c2ccc(C)cc2)cnc1SCC(=O)N1CCCC1 44085634 LQCBXMRYIWOFOZ-UHFFFAOYSA-N 329.469 3.593 10 40 EHCB COc1cc(CN[C@H]2CCCc3c2cnn3C)c(O)c(C(C)(C)C)c1 585093653 WXNRODMKTBAMKV-KRWDZBQOSA-N 343.471 3.599 10 40 EHCB CCCCOc1cccc(C(=O)NC(=S)Nc2ccc(N)cc2)c1 4688082 RWDWWQXFNUICKH-UHFFFAOYSA-N 343.452 3.575 10 40 EHCB Cc1cc(C)cc(N/C=C2/SC(=S)N(C[C@H]3CCCO3)C2=O)c1 5021801 BGOIUOZHNFOKTQ-UWZYDCLUSA-N 348.493 3.596 10 40 EHCB CCCN/C(C)=C1\C(=O)N(c2ccc(F)cc2)N=C1c1ccccc1 112111799 BMWRHMGZMGLPTB-JXAWBTAJSA-N 337.398 3.850 10 40 EHCB CCCCOC(=O)c1sc2nc3c(cc2c1N)C(=O)CC(C)(C)C3 1794610 TWNJONYRPHVXPO-UHFFFAOYSA-N 346.452 3.991 10 40 EHCB CSc1ccc(C[C@H]2SC(=S)N(Cc3ccco3)C2=O)cc1 8169620 VLVOLUAFPUDVDY-CQSZACIVSA-N 349.502 3.973 10 40 EHCB CCCCN1C(=O)[C@@]2(NN=C(c3ccccc3)S2)c2ccccc21 4689931 UZWNINAIFFTNSD-LJQANCHMSA-N 337.448 3.684 10 40 EHCB Cc1cc(=O)[nH]c2c(/N=N/c3ccc(Cl)cc3Cl)c(N)nn12 6280338 DZKWVIRUTRYBBJ-VHEBQXMUSA-N 337.170 3.635 10 40 EHCB C[C@H]1CCCN(c2ccc(CNC(=S)Nc3cccnc3)cc2)C1 225692546 VRJBRNLQHCDAGJ-HNNXBMFYSA-N 340.496 3.805 10 40 EHCB COc1ccc(N2CCN(C(=S)c3cccc(C)c3)CC2)cc1 9188035 JYLSJYLNTSILFI-UHFFFAOYSA-N 326.465 3.501 10 40 EHCB CN(CCNC(=S)Nc1ccc(F)c(Cl)c1)c1ccccc1 16704937 QAXOFCZWCLBGJX-UHFFFAOYSA-N 337.851 3.902 10 40 EHCB O=C(O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccc1C(=O)O)N2 409161391 UMLUUYMLBCUCHC-SNUQEOBHSA-N 335.359 3.910 10 40 EHCB COc1ccc(N2CCC(NC(=O)C=C(C3CC3)C3CC3)CC2)cc1 71924432 WSKZOIJNHBAGSP-UHFFFAOYSA-N 340.467 3.527 10 40 EHCB O=C(COc1ccc(Cl)cc1)NCc1ccc(N2CCCC2)cc1 13668104 RNUUURPEAFXBOR-UHFFFAOYSA-N 344.842 3.635 10 40 EHCB O=C1N=C(Nc2ccccc2C(=O)O)S/C1=C/c1cccs1 20226969 DGOMBAYLOIABLM-XYOKQWHBSA-N 330.390 3.529 10 40 EHCB CN(C)c1ccc(/C=C2/SC(NC3CCCCC3)=NC2=O)cc1 57548731 BHWWLIQLUJQINF-FOWTUZBSSA-N 329.469 3.645 10 40 EHCB C[C@@H]1CCCCN1Cc1c(O)ccc2c3c(c(=O)oc12)CCCC3 2549607 DXYXRSDPVQPTJR-CYBMUJFWSA-N 327.424 3.752 10 40 EHCB COc1ccccc1N1CCN(Cc2c(O)ccc3ccccc23)CC1 19790496 WGFIVTMADDNYGP-UHFFFAOYSA-N 348.446 3.876 10 40 EHCB Cc1cc(O)c(CNC2(c3ccc(F)cc3)CCOCC2)cc1C 71886817 BXQAESMPEBOYST-UHFFFAOYSA-N 329.415 3.944 10 40 EHCB COc1ccc(CN(C)Cc2cc(C)c(C)cc2O)c(OC)c1OC 8428230 XKHCLCXWYJPCCS-UHFFFAOYSA-N 345.439 3.667 10 40 EHCB COC(=O)c1cccc2c1N[C@H](c1ccccc1C(=O)O)[C@H]1CC=C[C@@H]21 409170990 YAUUKYQPNMPUSF-VBHSOAQHSA-N 349.386 3.998 10 40 EHCB O=C1c2ccccc2-c2c1c1ccccc1c(=O)n2-c1ccc(O)cc1 604405856 WLQFPIVYLDNKPY-UHFFFAOYSA-N 339.350 3.908 10 40 EHCB biogenic O=C1c2ccccc2C(=O)c2c(NC(=O)[C@H]3C[C@H]4CC[C@@H]3C4)cccc21 4155915 WKZCYYOAIIRMLF-AHIWAGSCSA-N 345.398 3.837 10 40 EHCB Cn1c(-c2ccccc2)cnc1SCc1nc(N)c2ccccc2n1 18339592 OJNUGTDGECBFCQ-UHFFFAOYSA-N 347.447 3.905 10 40 EHCB CN(Cc1ccccc1O)C(=O)c1csc(-c2ccccc2F)n1 63767166 YYXCMUGASZIOCB-UHFFFAOYSA-N 342.395 3.927 10 40 EHCB CCN1C(=O)N/C(=C/c2cc(C)n(-c3ccc(C)c(C)c3)c2C)C1=O 409228246 WJKVGFLWEWUMRA-WOJGMQOQSA-N 337.423 3.624 10 40 EHCB Cc1[nH]c2ccccc2c1CCNC(=O)N(C)Cc1ccccc1O 69847910 BICVQFWDZHOKOX-UHFFFAOYSA-N 337.423 3.566 10 40 EHCB CCN(C)c1ccc(CNCc2c[nH]nc2-c2ccccc2)cc1F 72289938 YVDWQCJDBZLHJX-UHFFFAOYSA-N 338.430 3.962 10 40 EHCB Cc1nc2n(n1)[C@H](c1ccc(N(C)C)cc1)C1=C(O)C[C@@H](C)CC1=N2 102602557 ZGJXMEYFMYYBHM-BBATYDOGSA-N 337.427 3.570 10 40 EHCB Cc1ccc(S(=O)(=O)Nc2nc(-c3ccccc3)cs2)cc1 193791 MLWXUOVWRAMXFK-UHFFFAOYSA-N 330.434 3.919 10 40 EHCB CN1C(=O)/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC1=S 1087652 RFCSAALYIPRRKE-JYRVWZFOSA-N 346.389 3.686 10 40 EHCB CCN1CCc2c(sc3c2C(O)=N[C@H](c2cccc(C)c2O)N3)C1 6654906 NZHYPXLFJKFDJS-INIZCTEOSA-N 343.452 3.569 10 40 EHCB Cc1cc(O)c(CN2CCN(C/C=C/c3ccccc3)CC2)cc1C 22932817 PIGVIZZFNABFSE-RMKNXTFCSA-N 336.479 3.840 10 40 EHCB CN1N=C(C(F)(F)F)/C(=C/Nc2ccc(Cl)cc2Cl)C1=O 100271360 WLVWPNPQEAPAQA-ALCCZGGFSA-N 338.116 3.680 10 40 EHCB Cc1ccc(/C=C2/SC(=S)N(n3c(C)ccc3C)C2=O)cc1 409206418 JHPZKQVOHFUPJO-XNTDXEJSSA-N 328.462 3.951 10 40 EHCB COC(=O)C1=C(C)N(C2CCCC2)C(=O)/C1=C\c1ccc(Cl)cc1 563170 WPSXQHJAXNTMTH-WJDWOHSUSA-N 345.826 3.955 10 40 EHCB O=C(O)/C=C/C(=O)Nc1ccc(/N=N/c2ccc([N+](=O)[O-])cc2)cc1 4721015 MLWAUUDZBYAJPM-KONNGCMJSA-N 340.295 3.590 10 40 EHCB CN(Cc1ccc(N(C)C)cc1)C(=O)c1cc2ccccc2cc1O 39981674 HENJIKKNTRXTFW-UHFFFAOYSA-N 334.419 3.884 10 40 EHCB CN(Cc1ccc(N(C)C)cc1)C(=O)NCc1ccc(F)c(Cl)c1 72075464 RYUQEKPXSTZOKG-UHFFFAOYSA-N 349.837 3.887 10 40 EHCB CN(C)Cc1c(O)ccc2cc(-c3ccc(Cl)cc3)c(=O)oc12 1237114 MPUNMRIXLMXLSM-UHFFFAOYSA-N 329.783 3.881 10 40 EHCB biogenic CCc1ccc(C(=S)N2CCN(c3ccc(OC)cc3)CC2)cc1 9188032 AMEZVBDJQOIVTQ-UHFFFAOYSA-N 340.492 3.755 10 40 EHCB CCC[C@@H](C)NC(=O)COC(=O)c1cc(C)n(-c2ccccc2)c1C 3460590 NSSMMWQCZWDGGK-CQSZACIVSA-N 342.439 3.556 10 40 EHCB CN(C)c1ccc([C@@H]2C=C(c3ccc(Cl)cc3)NC(=S)N2)cc1 5393739 WGNDUJCWTVCLIK-KRWDZBQOSA-N 343.883 3.966 10 40 EHCB CCN1C(=O)/C(=C\c2ccc(OC(C)C)c(OC)c2)SC1=S 17070935 SSSSFTNXVSGFDB-NTEUORMPSA-N 337.466 3.704 10 40 EHCB Cc1cc(C(=O)N2CCC[C@H]2c2ccc[nH]2)c(C)n1-c1ccccn1 79448040 XFNJOXNXGIIIJG-SFHVURJKSA-N 334.423 3.795 10 40 EHCB CC(C)Oc1ccc(NC(=S)NCCN(C)c2ccccc2)cc1 225571935 KEJNULPNZODSSN-UHFFFAOYSA-N 343.496 3.897 10 40 EHCB O=C1NC(=S)S[C@H]1C(Cc1ccccc1)Cc1ccccc1 1701079 CDRZMNUYJSROTM-INIZCTEOSA-N 327.474 3.605 10 40 EHCB CN(C)c1ccc(CNC(=O)Cc2ccc(Cl)c(Cl)c2)cc1 8170807 KSUJSOIFNXRLAJ-UHFFFAOYSA-N 337.250 3.918 10 40 EHCB CN(CCCNC(=S)Nc1ccc(F)cc1F)c1ccccc1 16243522 NCMHWXJGTYCPLF-UHFFFAOYSA-N 335.423 3.778 10 40 EHCB Oc1ccc(Br)cc1CNCc1ccc(F)cc1F 40477070 MCUIWKNPJORJLS-UHFFFAOYSA-N 328.156 3.723 10 40 EHCB CCOc1cccc(CN[C@@H](C)c2ccc(-n3ccnc3)cc2)c1O 69517670 JFFZZJTYLKKFLX-HNNXBMFYSA-N 337.423 3.827 10 40 EHCB C[C@@H](c1ccc(N(C)C)c(N(C)C)c1)c1ccc(N(C)C)cc1N 5550711 PAWMRFFXQGNVPZ-AWEZNQCLSA-N 326.488 3.619 10 40 EHCB CSc1ccc(C[C@H]2SC(=S)N(CC(C)C)C2=O)cc1 6326159 BVGZZBHFZHVNMR-CYBMUJFWSA-N 325.524 3.836 10 40 EHCB [O-]/[N+](=N/c1nonc1-c1ccccc1)c1nonc1-c1ccccc1 13301933 ATQXPBYFCCFPHJ-OQKWZONESA-N 334.295 3.712 10 40 EHCB CN(Cc1ccccc1O)C(=O)N[C@H]1CCCOc2ccc(F)cc21 54785173 NKCADTYBAXNNTG-INIZCTEOSA-N 344.386 3.587 10 40 EHCB COc1ccc(N2CCC(NC(=O)c3ccccc3Cl)CC2)cc1 69698375 QWMUQNBKWYHGJT-UHFFFAOYSA-N 344.842 3.747 10 40 EHCB COc1ccc(N(Cc2nnc(C3CC3)n2C)[C@@H](C)C2CC2)cc1 71897152 AFEUJQQTAIGZDD-ZDUSSCGKSA-N 326.444 3.506 10 40 EHCB Cc1cc(O)c(CN2CCC(C(=O)N3CCCCCC3)CC2)cc1C 52583708 FIXAODLHHHTZTP-UHFFFAOYSA-N 344.499 3.624 10 40 EHCB COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)cc(Cl)c1O 59367338 ZNGDZIKABGNDMC-ZSOIEALJSA-N 342.782 3.860 10 40 EHCB CCc1nc2ccc(NC(=S)NCc3ccccn3)cc2s1 225207436 HLQWCBHSKQFRLJ-UHFFFAOYSA-N 328.466 3.740 10 40 EHCB O=C(O)c1cccc(N2C(=O)/C(=C/c3ccccc3)SC2=S)c1 966965 ZXNFVGYFPHSNJJ-ZROIWOOFSA-N 341.413 3.791 10 40 EHCB COc1ccc(NCN2C(=O)/C(=C/c3ccco3)SC2=S)cc1 1307705 HAFNVEJXPANMBI-ZROIWOOFSA-N 346.433 3.559 10 40 EHCB CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C\Nc1ccccc1O 21966100 WNMYDEHMYUFQPN-UVTDQMKNSA-N 327.771 3.764 10 40 EHCB CC1=NN(c2ccccc2)C(=O)/C1=C/Nc1cccc2cccnc12 100148681 YCKJSBRWSBGEJP-GHRIWEEISA-N 328.375 3.953 10 40 EHCB CCN1C(=O)/C(=C2/C=Cc3cc(OC)ccc3N2CC)SC1=S 100498745 POFNDOYRZTUNPP-CCEZHUSRSA-N 346.477 3.640 10 40 EHCB CCN1C(=O)/C(=C/c2cccn2-c2ccccc2F)SC1=S 107884598 MPIPPMZWPBIOLD-UVTDQMKNSA-N 332.425 3.838 10 40 EHCB CCOC(=O)CC1(c2ccc(C)c(C)c2)C(=O)c2ccccc2C1=O 408733396 IEOGERKLYCBCAH-UHFFFAOYSA-N 336.387 3.574 10 40 EHCB O=C(c1ccco1)N1N=C(c2ccccc2O)C[C@H]1c1ccccc1 97105831 BTPLUYYJYUZFFO-KRWDZBQOSA-N 332.359 3.977 10 40 EHCB Oc1cc2c(cc1O)[C@H](c1cc3ccccc3nc1Cl)NCC2 16525701 HQDJBWRYONJURJ-QGZVFWFLSA-N 326.783 3.535 10 40 EHCB Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)Nc2ccn(C)n2)c1 25169493 BCBBSJJKUFIZBY-UHFFFAOYSA-N 328.803 3.733 10 40 EHCB O=C1/C(=C\c2ccc(O)c(Cl)c2)SC(=S)N1c1cccnc1 84425128 ZCXLYFKTRSVIHW-NTUHNPAUSA-N 348.836 3.846 10 40 EHCB CCCC(=O)N1N=C(c2cccc(OC)c2O)C[C@H]1c1ccccc1 97105841 XHMQHSOQUHSCTO-KRWDZBQOSA-N 338.407 3.879 10 40 EHCB O=C1NC(=S)S/C1=C/c1ccc(OCCc2ccccc2)cc1 6927356 VYNQJINPHORWHR-FOWTUZBSSA-N 341.457 3.797 10 40 EHCB CCCCCN1C(=O)/C(=C/c2cccc([N+](=O)[O-])c2)SC1=S 2666847 IXADVYUUICIPJR-RAXLEYEMSA-N 336.438 3.986 10 40 EHCB C[C@H]1CCCCN1C1=NC(=O)/C(=C\c2ccc(N(C)C)cc2)S1 59475389 VQQRXJJCDPSZBF-HKJJFUAXSA-N 329.469 3.597 10 40 EHCB O=C1/C(=C/c2ccccc2)SC(=S)N1C(=O)c1ccccc1 1512759 UKLXNBQUAHAGQM-KAMYIIQDSA-N 325.414 3.728 10 40 EHCB Cc1cccc(/C=C2\SC(=S)N(CN3CCCCC3)C2=O)c1 13477025 VIZOVBRKKCXFMJ-PTNGSMBKSA-N 332.494 3.640 10 40 EHCB NC(=O)c1ccc(C(=O)Nc2ccc(/N=N/c3ccccc3)cc2)nc1 63451029 QRVOSTCKTMOBNA-WCWDXBQESA-N 345.362 3.848 10 40 EHCB Cc1ccc(C(=O)N2C(=O)/C(=C\c3ccco3)SC2=S)cc1 408718979 CYKFGBMQIGTYCT-UKTHLTGXSA-N 329.402 3.630 10 40 EHCB COc1ccccc1N1C(=O)/C(=C/c2ccccc2O)SC1=S 5214856 PNKYQIUSLAAQCT-GDNBJRDFSA-N 343.429 3.807 10 40 EHCB COc1cc(NCc2cc(Br)ccc2O)cc(OC)c1 40477092 IVNCFCYYPPAFAR-UHFFFAOYSA-N 338.201 3.784 10 40 EHCB COCCCN1C(=O)/C(=C/c2cc3ccccc3o2)SC1=S 96935958 LSVOTKYYIQUJPP-UVTDQMKNSA-N 333.434 3.671 10 40 EHCB Cc1cc(C=O)c(C)n1NC(=O)c1ccc(-n2c(C)ccc2C)cc1 408566099 DHOPVZKNTFGYLT-UHFFFAOYSA-N 335.407 3.709 10 40 EHCB CC(C)[C@@H](NC(=O)OC(C)(C)C)[C@](O)(CN=[N+]=[N-])c1ccccc1 72207946 NYVVOYWRTCDZMA-PBHICJAKSA-N 334.420 3.734 10 40 EHCB Cc1c(/C=C2/NC(=O)N(C)C2=O)c2ccccc2n1Cc1ccccc1 409194051 MTPWRQBOEAIPMW-LDADJPATSA-N 345.402 3.521 10 40 EHCB Cc1ccc(-n2c(C)cc(C(=O)OCC(=O)c3ccc[nH]3)c2C)cc1 8931530 KJHYUIPCPMBGOE-UHFFFAOYSA-N 336.391 3.770 10 40 EHCB C[C@@H]1CCCC[C@H]1NC(=O)c1ccc2c(c1)C(=O)c1ccccc1C2=O 12417751 OIGBFUYSVIRKGB-BFUOFWGJSA-N 347.414 3.771 10 40 EHCB CN(Cc1cnn(-c2ccccc2)c1)Cc1c(O)ccc2ccncc12 12908325 UXCZLEXEKWPLBJ-UHFFFAOYSA-N 344.418 3.758 10 40 EHCB CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C/NCc1ccccc1 100149108 OFKNZQJWJUCLBK-SFQUDFHCSA-N 325.799 3.736 10 40 EHCB Cc1ccc(N2C(=O)/C(=C/c3ccco3)SC2=S)cc1C(=O)O 8550667 PAAHYJFCDGRDIQ-JYRVWZFOSA-N 345.401 3.692 10 40 EHCB Cc1cc(/C=C2/C(=O)N(C)C(=S)N=C2O)c(C)n1C1CCCCC1 1270509 YBBPQSODVBZFET-XNTDXEJSSA-N 345.468 3.707 10 40 EHCB Nc1ccccc1-n1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2 1674590 RFRQLHAASBLMJW-UHFFFAOYSA-N 338.366 3.784 10 40 EHCB Cc1cc(O)nc2c(/N=N/c3ccc(Br)cc3)c(N)nn12 3849329 UQJKSKDYWCQLRV-ISLYRVAYSA-N 347.176 3.503 10 40 EHCB Nc1ccc(NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1 7468413 BZKUTBPEFNSTMI-UHFFFAOYSA-N 331.375 3.773 10 40 EHCB Cc1ccc(-n2c(C)cc(-c3csc(CC(N)=O)n3)c2C)cc1F 8042298 NLQKYWQUBZAQFA-UHFFFAOYSA-N 343.427 3.693 10 40 EHCB CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1cccc(O)c1 33913199 SKHWGMZDZRHRAR-AQTBWJFISA-N 349.386 3.660 10 40 EHCB Cc1cc(C)n(Cc2ccc(C(=O)N(C)Cc3ccccc3O)cc2)n1 58343518 YKXYDDYIAPPQTF-UHFFFAOYSA-N 349.434 3.526 10 40 EHCB O=C(O)c1cccc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)c1 33313621 JSYFIMCBZAZWCV-UVTDQMKNSA-N 347.461 3.919 10 40 EHCB C[C@H]1CCCN(c2ccc(CNC(=S)Nc3ccncc3)cc2)C1 225692613 RTRCNEHEVDEPOD-HNNXBMFYSA-N 340.496 3.805 10 40 EHCB CC1(C)OC(=O)C(=CSCc2ccc(C(C)(C)C)cc2)C(=O)O1 1404312 IUEQYBKTTWJOAZ-UHFFFAOYSA-N 334.437 3.937 10 40 EHCB CC1=NN(c2ccc(C)cc2)C(=O)/C1=C\NNc1ccc(Cl)cc1 100922862 YJMRNBHGBANGSF-BOPFTXTBSA-N 340.814 3.872 10 40 EHCB Cc1ccccc1-n1ccnc1SCC(=O)c1ccc(O)c(O)c1 45528141 GASIJOMXDCJPHW-UHFFFAOYSA-N 340.404 3.567 10 40 EHCB C[C@@H](O[C@H]1CC(=O)C[C@H]2C(=O)c3ccccc3C(=O)[C@H]12)c1ccccc1 5573065 QPZYNQGSSNBJQS-YFMMTPMMSA-N 348.398 3.807 10 40 EHCB Oc1ccc(Br)cc1C1=NN[C@@H](c2ccccc2F)C1 541574 HZCVZSGLDVPISE-CYBMUJFWSA-N 335.176 3.733 10 40 EHCB biogenic C[C@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2ccc(N(C)C)cc2)S1 222560521 RNJNNFWPERLUPS-VHSSKADRSA-N 338.480 3.737 10 40 EHCB CC[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc(C(C)C)cc2)SC1=S 5374226 RURQXHJBWREAOJ-CKXDQPNJSA-N 349.477 3.874 10 40 EHCB CN(C)c1ccc(N2C(=O)/C(=C/c3ccco3)SC2=S)cc1 5067123 BDTMSNPIIBOMLN-UVTDQMKNSA-N 330.434 3.751 10 40 EHCB CCN(CC)c1ccc(/C=C2\SC(N3CCCCC3)=NC2=O)cc1 13547657 ZXVCYEJBLDNEJY-VKAVYKQESA-N 343.496 3.989 10 40 EHCB CCCOc1ccc(/C=C2\SC(=S)N(C)C2=O)cc1OCC 33686095 LQOAHMYBOHMBLN-UVTDQMKNSA-N 337.466 3.705 10 40 EHCB COc1cc(C)c([C@H](C)NCc2cccc(OC)c2O)cc1OC 78394095 KTDXNBKHKPDTKJ-ZDUSSCGKSA-N 331.412 3.577 10 40 EHCB C[C@@H](Oc1ccccc1)C(=O)NCc1ccc(N2CCCCC2)cc1 219486137 UJGUMMJNVFDWLW-QGZVFWFLSA-N 338.451 3.761 10 40 EHCB CC1=NN(c2ccc(C(=O)O)cc2)C(=O)/C1=C\C=C\c1ccccc1 12412809 KGRQDYPSOXAJLZ-WCTLISOUSA-N 332.359 3.747 10 40 EHCB CC(=O)c1ccc(-c2ccc(/C=C3\SC(=S)NC3=O)o2)cc1 13843902 BMDUKCMLAWNULI-ZSOIEALJSA-N 329.402 3.638 10 40 EHCB O=C1c2ccccc2C(=O)c2c1ncn2-c1cccc(C(F)(F)F)c1 15906343 ODPNSGKPQUJNJS-UHFFFAOYSA-N 342.276 3.667 10 40 EHCB CC(C)(C)n1ncc2c1CCC[C@H]2NCc1ccc2c(c1)CCO2 75584104 OQKWPZGBOKKZKC-QGZVFWFLSA-N 325.456 3.740 10 40 EHCB COc1ccc(C(=O)NCc2ccc(N3CCCCC3)cc2)cc1F 225390226 AYAKNQQUKFXIAB-UHFFFAOYSA-N 342.414 3.755 10 40 EHCB CC(=O)c1cccc(NC(=O)NCc2ccc(N3CC=CC3)cc2)c1 101225437 OZMBOCUWNNIOGL-UHFFFAOYSA-N 335.407 3.587 10 40 EHCB CCN1C(=O)/C(=C\Nc2ccc(Br)cc2)SC1=S 6822213 RKRYARPGDXKJOV-JXMROGBWSA-N 343.271 3.583 10 40 EHCB COc1c(Cl)cc(/C=C2/SC(=S)NC2=O)cc1OC(C)C 5481883 RGBVEJSQHQIBMA-IZZDOVSWSA-N 343.857 3.625 10 40 EHCB CCOc1ccc(NC2=NC(=O)/C(=C/c3ccccc3O)S2)cc1 18193725 RARVXXCMKOMXIH-WJDWOHSUSA-N 340.404 3.873 10 40 EHCB CCN(CCCNC(=O)c1cc(C)ccc1C)c1ccc(OC)cc1 225054369 BUGAKELUDFUFSY-UHFFFAOYSA-N 340.467 3.958 10 40 EHCB COc1ccc(N(C)CCNC(=S)Nc2cc(C)cc(C)c2)cc1 225797307 NBSUTJTZPXFHSX-UHFFFAOYSA-N 343.496 3.735 10 40 EHCB COc1ccc(CNC2(c3ccccc3)CC2)cc1Cn1cccn1 12361864 CHVNUHMOVZDICW-UHFFFAOYSA-N 333.435 3.719 10 40 EHCB COc1cc(CNCc2ccc(N(C)C)cc2)cc(Cl)c1OC 17318086 YRAFAUKSTSOMOB-UHFFFAOYSA-N 334.847 3.713 10 40 EHCB O=C(Nc1ccccc1)[C@@H](NCc1ccccc1O)c1ccccc1 78394178 YZYMBXSTZSQREG-FQEVSTJZSA-N 332.403 3.862 10 40 EHCB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(N)cc1 19736174 XUBJFRBUNJIINK-VIFPVBQESA-N 325.195 3.982 10 40 EHCB CC1=NNC(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 102682503 NYSNWKVZPJLWBH-WOJGMQOQSA-N 346.365 3.568 10 40 EHCB COC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1cccc(OC)c1 408766625 DEBCIIVSYGWFLM-AQTBWJFISA-N 349.386 3.572 10 40 EHCB COC(=O)C1=C(C)N(c2cccc(C)c2)C(=O)/C1=C\c1ccccc1 408893127 KSUILZKCBPWHSO-AQTBWJFISA-N 333.387 3.872 10 40 EHCB C[C@@H]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(N(C)C)cc2)N3)C1 2492911 WJTMEJQKQJALTH-PIGZYNQJSA-N 341.480 3.793 10 40 EHCB COc1ccc(/C=C2\SC(Nc3ccc(C)cc3)=NC2=O)cc1O 7164984 VQNULIWCRWITAB-YBEGLDIGSA-N 340.404 3.792 10 40 EHCB CN(Cc1ccc(N(C)C)cc1)C(=O)CCc1c[nH]c2ccccc12 18150430 JYLXCOPTMKAHNK-UHFFFAOYSA-N 335.451 3.825 10 40 EHCB C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)Nc1cn[nH]c1 58202414 WILWOTSLSNJPNK-CQSZACIVSA-N 336.395 3.911 10 40 EHCB CC[C@@H](NC1CCN(c2cc(C)nc(C)n2)CC1)c1ccccc1O 97139542 OLGPKRCAWFZOQH-GOSISDBHSA-N 340.471 3.509 10 40 EHCB CCOc1cc(/C=C2\SC(=S)NC2=O)ccc1O[C@@H](C)CC 409348308 SAZNGKDBEXSWRT-ADVUTCEVSA-N 337.466 3.751 10 40 EHCB CCN1CCc2c(sc3c2C(O)=N[C@H](c2cc(C)ccc2O)N3)C1 4556439 SKSDIZIZXPZAPR-INIZCTEOSA-N 343.452 3.569 10 40 EHCB CC(=O)Nc1ccc(/C=C2/SC(Nc3ccccc3)=NC2=O)cc1 6073744 KKGZQEOVNGAJNT-LFIBNONCSA-N 337.404 3.727 10 40 EHCB COc1ccc(/C=C2/C=C(c3ccc(OC)c(OC)c3)OC2=O)cc1 13615342 RBPQOXJVDDHEDF-GDNBJRDFSA-N 338.359 3.694 10 40 EHCB Cc1ccc(C2=NN3C(=N)/C(=C/c4ccccc4)C(=O)N=C3S2)cc1 3858698 LRMXEHVNKQWLJL-GQECEEOXSA-N 346.415 3.662 10 40 EHCB COC(=O)c1cccc2c1N[C@H](c1ccc(C(=O)O)cc1)[C@H]1CC=C[C@H]21 4140437 AWLTWPHKRLCZJX-RLFYNMQTSA-N 349.386 3.998 10 40 EHCB CN1C(=O)/C(=C\C=C\C=C\c2ccc([N+](=O)[O-])cc2)SC1=S 5719678 GYLUMHOYBCREGC-NXGFIFHASA-N 332.406 3.538 10 40 EHCB O=[N+]([O-])c1ccc(O)c(CNC[C@H]2CCCO[C@H]2c2ccccc2)c1 98009361 CUCNNHDXOSVPAL-BEFAXECRSA-N 342.395 3.558 10 40 EHCB COc1ccc(-c2c(C)c3ccc(O)c(CN(C)C)c3oc2=O)cc1 4353828 VXZGKPZOKQYPDA-UHFFFAOYSA-N 339.391 3.544 10 40 EHCB biogenic COc1ccc(C2=C/C(=C\c3ccc(OC)cc3OC)C(=O)O2)cc1 34138244 WRQAIVYXVZEEKV-XNTDXEJSSA-N 338.359 3.694 10 40 EHCB COc1cccc(C2=NN(C(=O)C(C)C)[C@@H](c3ccccc3O)C2)c1 89775610 LXHVGZGGHGIADP-GOSISDBHSA-N 338.407 3.735 10 40 EHCB COc1cc(C)c(/C=C2\C(=O)N(c3ccccc3)N=C2C)cc1OC 4736599 XAAPVYGDKWUFPW-BOPFTXTBSA-N 336.391 3.818 10 40 EHCB CCc1ccc(C[C@H]2SC(=S)N(Cc3ccco3)C2=O)cc1 8085494 SZLGJAIZGPPAFD-OAHLLOKOSA-N 331.462 3.814 10 40 EHCB O=C([C@H]1COc2ccccc21)N(Cc1ccco1)Cc1ccccc1O 84504634 GJWDKGYCPNBNIJ-SFHVURJKSA-N 349.386 3.690 10 40 EHCB CCN(CC)c1ccc(CNC(=O)/C=C/c2ccccc2OC)cc1 223678125 OXDGOBPJRBLOBZ-NTCAYCPXSA-N 338.451 3.871 10 40 EHCB O=S(=O)(O)c1ccc(O)c(N=Nc2c(O)ccc3ccccc23)c1 263598796 IGLJWNJJOFKOTF-UHFFFAOYSA-N 344.348 3.913 10 40 EHCB CN(C)c1ccc(N2C(=O)/C(=C/c3ccccn3)SC2=S)cc1 409339059 DRGVRSOHVDKQFM-PTNGSMBKSA-N 341.461 3.553 10 40 EHCB C[C@H](NC(=O)/C=C/c1ccc(N(C)C)cc1)c1ccc(F)cc1F 12814226 NDQQYKNDWAYWCS-VKUYVZBCSA-N 330.378 3.921 10 40 EHCB O=C(c1cccs1)N1N=C(c2ccccc2O)C[C@H]1c1ccncc1 97165248 LYYWUXBMYLAADJ-INIZCTEOSA-N 349.415 3.840 10 40 EHCB CCOC(=O)c1ccccc1N/N=N/c1ccc(C(=O)OC)cc1 5002686 PZVXOGONERFFEG-UHFFFAOYSA-N 327.340 3.761 10 40 EHCB CCn1c(-c2ccccc2)cnc1SCC(=O)Nc1cc(C)on1 9156753 QQFUSNVTLCUHPV-UHFFFAOYSA-N 342.424 3.597 10 40 EHCB Cc1cc(O)c(CN(C)Cc2ccc(Br)s2)cc1O 95996986 YKSLEWWYFGCNRJ-UHFFFAOYSA-N 342.258 3.862 10 40 EHCB O=C(O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1C(=O)O)N2 409161393 UMLUUYMLBCUCHC-VFVRVIDISA-N 335.359 3.910 10 40 EHCB C[C@@H](c1ccccc1)N1C(=O)/C(=C2\C=CC=CN2C)SC1=S 4545610 LDBSCGUGVMZKKL-VCHHOEMESA-N 328.462 3.835 10 40 EHCB CCN(CC)c1nc(/C=C/c2ccc(N(C)C)cc2)c2nccnc2n1 5499496 PLVPPGAMUCLKCH-FMIVXFBMSA-N 348.454 3.502 10 40 EHCB COc1ccccc1/C=C1\C(=O)N(c2ccc(C)cc2)C(=O)N=C1O 33292806 ACUIBPNDLZTPFL-PTNGSMBKSA-N 336.347 3.510 10 40 EHCB Cc1ccc(N2C(=O)/C(=C/c3c(C)n[nH]c3C)SC2=S)cc1 40139649 GHAMHPVVMHQBKZ-ZSOIEALJSA-N 329.450 3.741 10 40 EHCB Cc1c([C@H](C)NCc2ccccc2O)cnn1-c1ccc(F)cc1 71792567 GEJIWEJSQSJSOK-ZDUSSCGKSA-N 325.387 3.876 10 40 EHCB CCO[C@@H](C)c1nc(CC(=O)N[C@H](CC)c2ccccc2O)cs1 96409669 COTVSFDBHFAZPN-SWLSCSKDSA-N 348.468 3.756 10 40 EHCB CC(=C\c1ccccc1)/C=C1\C(=O)NC(=O)N(c2ccc(C)cc2)C1=O 408773104 GIQLMJCISXALIT-PYEASBQRSA-N 346.386 3.608 10 40 EHCB O=[N+]([O-])c1cc(CN2CC[C@@H](c3ccccc3)C2)c(O)c2ncccc12 310123 NCXLPGIFFKJJHL-OAHLLOKOSA-N 349.390 3.838 10 40 EHCB CCOC(=O)C1CCN(Cc2cc(Cl)c3ccccc3c2O)CC1 3402279 XQLRTDZVVXSDTE-UHFFFAOYSA-N 347.842 3.974 10 40 EHCB COc1ccc(OC)c(/C=C2\SC(=S)N(C3CCCC3)C2=O)c1 13787452 ZMPAQMAOTMUSOH-GDNBJRDFSA-N 349.477 3.848 10 40 EHCB CCCCOC(=O)c1ccc(NCc2cccc(OC)c2O)cc1 44836327 BXJJSNNZHYBHRW-UHFFFAOYSA-N 329.396 3.970 10 40 EHCB COc1ccccc1NC1=NC(=O)/C(=C/C=C/c2ccco2)S1 5374536 QOHAWSYDOJRIOJ-IJPYFETJSA-N 326.377 3.927 10 40 EHCB Cc1nn(C)c(C)c1[C@@H](C)NCc1cc(Cl)cc(Cl)c1O 71857581 YYLZJIBTEXABMV-MRVPVSSYSA-N 328.243 3.900 10 40 EHCB O=C(O)/C=C/C(=O)Nc1ccc(/N=N\c2ccc([N+](=O)[O-])cc2)cc1 104372804 MLWAUUDZBYAJPM-JVLBREOFSA-N 340.295 3.590 10 40 EHCB O=Cc1cc(/N=N/c2ccccc2)ccc1OC(=O)N1CCOCC1 4558117 UZHCKQYTNDODIS-FMQUCBEESA-N 339.351 3.746 10 40 EHCB O=[N+]([O-])c1cn(CCCNc2c3ccccc3nc3ccccc23)cn1 4649878 ITEZPCCIRBLLAN-UHFFFAOYSA-N 347.378 3.995 10 40 EHCB Cc1cccc(/C=C2/C(=O)N(c3ccccc3F)C(=S)N=C2O)c1 59135973 RCUMQLMAAUZTTF-JLHYYAGUSA-N 340.379 3.806 10 40 EHCB COc1ccccc1N1C(=O)N=C(O)/C(=C\c2ccc(C)s2)C1=O 17027903 QALOKZHJOKYOGG-FMIVXFBMSA-N 342.376 3.572 10 40 EHCB CC(C)c1nnc2n1N1C(=CS[C@H]1c1ccc(N(C)C)cc1)S2 20746127 JDTVUUMKLPNQEY-HNNXBMFYSA-N 345.497 3.756 10 40 EHCB C[C@@H]1CCCN(c2ccc(CNC(=S)Nc3cccnc3)cc2)C1 225692519 VRJBRNLQHCDAGJ-OAHLLOKOSA-N 340.496 3.805 10 40 EHCB O=C(O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1C(=O)O)N2 409161392 UMLUUYMLBCUCHC-VBHSOAQHSA-N 335.359 3.910 10 40 EHCB CC(C)N1CCc2c(sc3c2C(O)=N[C@H](c2ccccc2O)N3)C1 4553989 LMOBRUJBCKABEJ-INIZCTEOSA-N 343.452 3.649 10 40 EHCB CCN(CC)c1nc(/C=C\c2ccc(N(C)C)cc2)c2nccnc2n1 4773925 PLVPPGAMUCLKCH-XFXZXTDPSA-N 348.454 3.502 10 40 EHCB Nc1ccc(Cc2nc(-c3ccc(Br)cc3)no2)cc1 19772018 MMYMGNJLBWPWRH-UHFFFAOYSA-N 330.185 3.672 10 40 EHCB COc1ccccc1[C@H](C)NCc1ccc(N2CCOCC2)c(F)c1 66970186 YIABXQJALPUILN-HNNXBMFYSA-N 344.430 3.522 10 40 EHCB COC(=O)C1=C(C)N(C2CCCCC2)C(=O)/C1=C\c1ccccc1 408719162 IHOPLMBOOIXABD-LGMDPLHJSA-N 325.408 3.692 10 40 EHCB OCc1ccc(CNCc2cc(Cl)cc(Cl)c2O)cc1F 71792557 AANWLHNIFSOQPQ-UHFFFAOYSA-N 330.186 3.620 10 40 EHCB C[C@@H]1[C@H](c2ccccc2)O[C@@H](c2ccc(N3CCOCC3)cc2)N1C 257345172 GPVLWMWZMUZIJB-HBGVWJBISA-N 338.451 3.614 10 40 EHCB COC(=O)C1=C(C)N(c2cccc(C)c2)C(=O)/C1=C\c1cccc(O)c1 408894956 SMBSMMUBOAWIQV-PDGQHHTCSA-N 349.386 3.578 10 40 EHCB Cc1c(/C=C2/NC(=O)NC2=O)cc(-c2ccccc2)n1-c1ccccc1 110568 PPIJWWBQXSRUGS-LDADJPATSA-N 343.386 3.633 10 40 EHCB Nc1ccc(N2CCN(Cc3ccc(Cl)cc3Cl)CC2)cc1 12396526 SFXGNGGTOITZHM-UHFFFAOYSA-N 336.266 3.898 10 40 EHCB COc1ccc(N(Cc2nnc(C3CC3)n2C)[C@H](C)C2CC2)cc1 71897153 AFEUJQQTAIGZDD-CYBMUJFWSA-N 326.444 3.506 10 40 EHCB CCN1C(=O)S/C(=C/c2ccc(N3CCCCC3)cc2OC)C1=O 409089658 ONCGPURNWAHDIE-LFIBNONCSA-N 346.452 3.742 10 40 EHCB Cc1ccc(N2C(=O)/C(=C/NCc3ccco3)SC2=S)cc1 618255345 YEJBPDGZPOVCPX-UVTDQMKNSA-N 330.434 3.584 10 40 EHCB CCc1ccc(N2C(=O)/C(=C\c3ccco3)C(C(=O)OC)=C2C)cc1 5556695 RDSDUFWQZOHKAE-ATVHPVEESA-N 337.375 3.719 10 40 EHCB Cc1cc(C2=NN=C(NC3CC3)SC2)c(C)n1-c1cccc(F)c1 15404949 QAPNRPUNSGIKRF-UHFFFAOYSA-N 342.443 3.792 10 40 EHCB CCN(CC)c1ccc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)cc1 409195342 OSMNPMHLAZRQKG-XMHGGMMESA-N 349.434 3.626 10 40 EHCB CC1(C)[C@]2(C)CC[C@]1(C(=O)Oc1ccc3ccccc3c1)C(=O)C2=O 100868434 MYHLUVCRMZVOLI-NHCUHLMSSA-N 336.387 3.710 10 40 EHCB COc1ccccc1NCc1c(O)ccc2c(C)c(C)c(=O)oc12 8997508 VJADHTQXZSGDJG-UHFFFAOYSA-N 325.364 3.736 10 40 EHCB COc1ccc(O)c(CN(Cc2ccccc2)C[C@H]2CCCO2)c1 13993304 MZXYCYOTIUBLTD-LJQANCHMSA-N 327.424 3.582 10 40 EHCB O=C(O)[C@@H]1[C@H]2CC=C[C@@H]2c2cc(Cl)cc3c2N1C[C@H]1CC=C[C@H]31 4131719 XIFMNZHDPSPECA-ARBLVEDDSA-N 327.811 3.946 10 40 EHCB CCOc1ccc(NC2=NC(=O)/C(=C/c3cccn3C)S2)cc1 6870439 HEOGPFVHQVLTAE-PTNGSMBKSA-N 327.409 3.506 10 40 EHCB CCCC(=O)N1N=C(c2ccccc2)C[C@@H]1c1cccc(OC)c1O 8774982 BCQYNGDAXVRWQZ-QGZVFWFLSA-N 338.407 3.879 10 40 EHCB Cc1ccc(C2=C[C@@H](c3ccc(N(C)C)cc3)N3NN=NC3=N2)cc1 100572685 IGPQRWQMGLHBLQ-SFHVURJKSA-N 332.411 3.700 10 40 EHCB aggregator Cc1cc2c(cc1/C=C1\SC(=S)N(CC(C)C)C1=O)OCCO2 409035028 OQJPHGHKZIHTGZ-NVNXTCNLSA-N 349.477 3.623 10 40 EHCB CCCCOC(=O)CCN1C(=O)/C(=C/c2ccccc2)SC1=S 1750275 XXNRUBCOJRWEOM-OWBHPGMISA-N 349.477 3.621 10 40 EHCB COC(=O)c1ccc(/C=C2\SC(Nc3ccccc3)=NC2=O)cc1 5586292 VAHHBRXUTKATAF-PTNGSMBKSA-N 338.388 3.556 10 40 EHCB CC(=O)c1ccc(N/C=C2/C(=O)N(c3ccccc3C)N=C2C)cc1 5730813 QNLJJGXRBFUSFA-LDADJPATSA-N 333.391 3.916 10 40 EHCB O=C1N=C(Nc2ccccc2)S/C1=C/c1ccc(-n2ccnc2)cc1 96843617 SWYKAEJOVHJDTA-SFQUDFHCSA-N 346.415 3.955 10 40 EHCB COc1ccc(NCc2cc(Br)ccc2O)c(OC)c1 405321 YMOUERFODBEGRA-UHFFFAOYSA-N 338.201 3.784 10 40 EHCB O=C1/C(=C/c2cccs2)SC(=S)N1c1ccc2c(c1)OCO2 1248951 WWXPHNJSOAZQRC-QPEQYQDCSA-N 347.442 3.883 10 40 EHCB O=C1/C(=C/c2ccccn2)SC(=S)N1CCc1ccccc1 8644072 OBNSFDFJWQICGV-QINSGFPZSA-N 326.446 3.526 10 40 EHCB CO[C@@H](C)C(=O)N[C@H](c1ccccc1)c1c(O)ccc2ccccc12 57995883 BTSRRYPCNHWVPH-VBKZILBWSA-N 335.403 3.786 10 40 EHCB O=C1c2ccccc2C(=O)c2c(NC(=O)[C@@H]3C[C@@H]4CC[C@@H]3C4)cccc21 100673353 WKZCYYOAIIRMLF-PBFPGSCMSA-N 345.398 3.837 10 40 EHCB O=c1[nH]c(-c2ccc(O)c(O)c2)nc2sc(-c3ccccc3)cc12 14184059 DPHCHXYGMOWQRH-UHFFFAOYSA-N 336.372 3.730 10 40 EHCB CCc1ccc(S(=O)(=O)Nc2ccc(O)c3ccccc23)cc1 134799 JJXIILZJBJAPRX-UHFFFAOYSA-N 327.405 3.909 10 40 EHCB CCOc1ccc(N2C(=O)/C(=C\c3ccc[nH]3)SC2=S)cc1 27231332 CUKNNOOFWQFVOX-GXDHUFHOSA-N 330.434 3.819 10 40 EHCB COc1ncccc1CNC(=O)c1cc(C)n(-c2ccccc2C)c1C 30307304 VEOTYOCQQDIINZ-UHFFFAOYSA-N 349.434 3.736 10 40 EHCB Cc1ccc(CN2C(=O)N/C(=C/c3c(C)[nH]c4ccccc34)C2=O)cc1 409235850 COQOKBKFWYRCCI-YBFXNURJSA-N 345.402 3.878 10 40 EHCB Oc1cc2c(cc1[C@H](c1ccc(F)cc1)N1CCCCC1)OCO2 6512627 YMCLEFJCNNJAEA-IBGZPJMESA-N 329.371 3.835 10 40 EHCB CCOc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1OC(F)F 71759376 UPNKNPDHEMDUNC-YRNVUSSQSA-N 345.392 3.518 10 40 EHCB CCN1C(=O)/C(=C\c2ccc(C(C)(C)C)cc2)C(C(=O)OC)=C1C 6144864 SLGBMVLAFQBWDR-VBKFSLOCSA-N 327.424 3.677 10 40 EHCB CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)Nc1ccccn1 100422949 QCZBDTDZAFQIMA-WJDWOHSUSA-N 349.419 3.800 10 40 EHCB Cn1cc(/C=C2/C(=O)N(c3ccccc3)C(=O)N=C2O)c2ccccc21 2181582 IVMNCXYYMGVUKG-LFIBNONCSA-N 345.358 3.685 10 40 EHCB biogenic COC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1ccc(SC)cc1 408891640 ALXJZNGRXJFCJV-YBEGLDIGSA-N 345.464 3.737 10 40 EHCB CCN1C(=O)/C(=C2\C=Cc3cc(C)ccc3N2CC)SC1=S 973258 ZFZGTWMQQXYLDH-PFONDFGASA-N 330.478 3.940 10 40 EHCB [N-]=[N+]=NCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 141985187 HPNRIIDEHIPNSP-ZDUSSCGKSA-N 329.747 3.921 10 40 EHCB CCCN1C(=O)/C(=C\c2c(F)cccc2Cl)C(C(=O)OC)=C1C 574457 ZRMCLDSDFWYQBX-XFXZXTDPSA-N 337.778 3.562 10 40 EHCB O=[N+]([O-])c1ccc(N2CC=C(c3c[nH]c4ncccc34)CC2)c(F)c1 32923342 GPHUQLVWKGQEBU-UHFFFAOYSA-N 338.342 3.904 10 40 EHCB COC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(C(=O)O)cc1)N2 6721381 GJGGLGFZQPLXPH-GPMSIDNRSA-N 349.386 3.998 10 40 EHCB CCCN(Cc1ccccc1O)C(=O)CCc1nc2ccccc2[nH]1 66096677 JITJGJQWPYFFOP-UHFFFAOYSA-N 337.423 3.640 10 40 EHCB O=C1/C(=C/c2ccccc2Cl)SC(=S)N1C[C@@H]1CCCO1 13564071 KQTDRQTZVZTTBR-LFTLCWSBSA-N 339.869 3.720 10 40 EHCB COc1ccc(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cc1 15634263 XXYVAVHXNOIGAK-UHFFFAOYSA-N 338.451 3.958 10 40 EHCB CC1=NN(c2ccccc2)C(=O)/C1=C\Nc1cc(Cl)ccc1O 100148665 LADWRCUTFSJRTG-UVTDQMKNSA-N 327.771 3.764 10 40 EHCB CCOC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1sccc1C 408892094 GAHKYFNXNISGFU-ZROIWOOFSA-N 333.453 3.775 10 40 EHCB COc1cc(/C=C2/SC(Nc3ccc(F)cc3)=NC2=O)ccc1O 13809741 ZAHCBSGUQIYBJS-OQLLNIDSSA-N 344.367 3.622 10 40 EHCB CCOc1ccc(NC(=S)NCCCN(C)c2ccccc2)cc1 16243517 LMOBJVWNVMGZAV-UHFFFAOYSA-N 343.496 3.898 10 40 EHCB COc1cccc(CNC(=O)Nc2cccc(COC(C)C)c2)c1O 71857032 KIWIMOJFEZMBDO-UHFFFAOYSA-N 344.411 3.648 10 40 EHCB Cc1nn(C)cc1/C=C1/C(=O)N(c2ccccc2)N=C1c1ccccc1 6527147 PQHUVIRKYOCRNQ-CPNJWEJPSA-N 342.402 3.563 10 40 EHCB O=C1NC(=O)/C(=C/c2ccc(-c3cc(C(=O)O)ccc3Cl)o2)S1 4699738 VAZUZWQSGGSYOE-SDQBBNPISA-N 349.751 3.622 10 40 EHCB CN(C)c1ccc([C@@H]2Nc3ccccc3C(=O)N2CC(F)(F)F)cc1 7113225 OSJGYSZJIQDBEY-MRXNPFEDSA-N 349.356 3.881 10 40 EHCB Cc1cc(C(=O)CSc2cnccn2)c(C)n1-c1cccc(F)c1 72298278 OZNFLHMVIMCAAJ-UHFFFAOYSA-N 341.411 3.998 10 40 EHCB C[C@@H]1CCC[C@@H](C)N1Cc1c(O)ccc2c3c(c(=O)oc12)CCC3 122744 BXBZFKOKZVDMTA-CHWSQXEVSA-N 327.424 3.750 10 40 EHCB CCOC(=O)c1c2c(n3cc(C)cc(C)c13)C(=O)c1ccccc1C2=O 4671168 IFZVPGORSHJGFG-UHFFFAOYSA-N 347.370 3.508 10 40 EHCB CC[C@H](NC1CCN(CCc2ccncc2)CC1)c1ccccc1O 95940785 SCPOEKPLWIWJCU-FQEVSTJZSA-N 339.483 3.535 10 40 EHCB CC(=O)Nc1ccc(NC2=NC(=O)/C(=C/c3cccs3)S2)cc1 6562998 DVNWCBXYTWTZSN-ZROIWOOFSA-N 343.433 3.789 10 40 EHCB CCCC[C@H](C(=O)O)N1C(=O)/C(=C/c2cccs2)SC1=S 6635882 CMEZJBQFAUUVPY-UBYNWHESSA-N 341.479 3.593 10 40 EHCB CCOc1ccc(-n2c(C)cc(/C=C3\SC(=O)NC3=O)c2C)cc1 7154785 VXGOEVDAHVMKRJ-YBEGLDIGSA-N 342.420 3.817 10 40 EHCB Nc1ccc(NC(=O)c2ccccc2NC(=O)c2ccccc2)cc1 7468434 OKVNHGUHYWIOPW-UHFFFAOYSA-N 331.375 3.773 10 40 EHCB Cc1ccsc1/C=C1/C(=O)N(c2ccccc2F)C(=S)N=C1O 56683458 CPAZBAPFTSFXLJ-CSKARUKUSA-N 346.408 3.867 10 40 EHCB COC(=O)c1cccc2c1N[C@@H](c1ccc(C(=O)O)cc1)[C@H]1CC=C[C@H]21 4140438 AWLTWPHKRLCZJX-MPGHIAIKSA-N 349.386 3.998 10 40 EHCB O=C(c1ccnc(Cl)c1)N(Cc1ccco1)Cc1ccccc1O 70036624 HEQCFTDOXFCPRU-UHFFFAOYSA-N 342.782 3.876 10 40 EHCB CC(=O)Nc1ccc(N2N=C(C)[C@@H](/N=N/c3ccc(C)cc3)C2=O)cc1 101504064 FYNBPFXXPNOENP-KHOFPDMRSA-N 349.394 3.828 10 40 EHCB CN(C)c1ccc([C@@H]2C[C@@H](c3cccs3)Nc3ncnn32)cc1 80792 OLEVJJXTKBJNDN-GJZGRUSLSA-N 325.441 3.552 10 40 EHCB CN(C)Cc1cc2c(cc1O)CC[C@@H]1[C@@H]3CCC(=O)[C@@]3(C)CC[C@@H]21 33916352 YNMRNQIMMPMNCA-JQZBISMTSA-N 327.468 3.879 10 40 EHCB COc1ccc(N(C)CCNC(=S)Nc2ccc(Cl)cc2)cc1 225797474 ARWMAQKBUIWAFV-UHFFFAOYSA-N 349.887 3.771 10 40 EHCB O=C1/C(=C\C=C\c2ccco2)SC(=S)N1c1cccc(O)c1 27533629 UDWAAPWKAAZYOG-BOAPOFAJSA-N 329.402 3.947 10 40 EHCB C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2ccc(N(C)C)cc2)S1 222560463 RNJNNFWPERLUPS-XWIAVFTESA-N 338.480 3.737 10 40 EHCB O=C1/C(=C/Nc2ccccc2F)SC(=S)N1Cc1ccco1 618255376 ZNFKWBKCWNRUCS-JYRVWZFOSA-N 334.397 3.733 10 40 EHCB CC(=O)c1ccc(-c2ccc(/C=C3/SC(=S)NC3=O)o2)cc1 1446532 BMDUKCMLAWNULI-RIYZIHGNSA-N 329.402 3.638 10 40 EHCB Cc1cc(C(=O)[C@@H](C)Sc2nnc[nH]2)c(C)n1-c1ccccc1 5620802 ISEBWACIVMVDOY-CYBMUJFWSA-N 326.425 3.576 10 40 EHCB CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C\Nc1ccc(O)cc1 13575859 TWGUMOQQLBMCQH-YBEGLDIGSA-N 327.771 3.764 10 40 EHCB C[C@@H](NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(F)cc1 66970182 YWDFFAHRFVCJRY-CQSZACIVSA-N 332.394 3.652 10 40 EHCB O=C(O)CCc1ccc(-c2cccs2)n1-c1cccc(C(=O)O)c1 5927110 UNZYKHDWMZQQLL-UHFFFAOYSA-N 341.388 3.921 10 40 EHCB Cc1ccc(C)n1N1C(=O)/C(=C\c2ccccc2F)SC1=S 4682578 BASARZWYCOKAIH-NTEUORMPSA-N 332.425 3.781 10 40 EHCB CCNC1=NN=C(c2cc(C)n(-c3ccc(OC)cc3)c2C)CS1 5889484 MSNDWPNESWQFHX-UHFFFAOYSA-N 342.468 3.519 10 40 EHCB O=C1/C(=C/c2ccc(F)cc2)C(O)=NC(=S)N1c1ccccc1F 59135787 KAAJCNZBEKJWOA-FMIVXFBMSA-N 344.342 3.636 10 40 EHCB CC1=NN(c2ccc(C)cc2)C(=O)/C1=C\Nc1ccc(Cl)c(N)c1 100922762 ZQUBQHPWJMBVGU-GDNBJRDFSA-N 340.814 3.949 10 40 EHCB CCCOc1ccc2ccccc2c1C=C1C(=O)OC(C)(C)OC1=O 409009270 CQKAJVVTIGDPPM-UHFFFAOYSA-N 340.375 3.848 10 40 EHCB Cc1oc2cc(CN(C)C)c(O)cc2c(=O)c1Oc1ccccc1 5921244 AKPQYYNKSWYDQY-UHFFFAOYSA-N 325.364 3.661 10 40 EHCB CC1=CC(O)=C(C(=O)/N=N/C(=O)c2ccccc2)NN1c1ccccc1 101009968 YLORXKAJNMUECF-QZQOTICOSA-N 348.362 3.504 10 40 EHCB Cc1ccc(C(=O)O)cc1N1C(=O)/C(=C\c2ccco2)SC1=S 5371560 IATFKSKQUBHCNF-MDWZMJQESA-N 345.401 3.692 10 40 EHCB Cc1ccc(N2C(=O)N=C(O)/C(=C/c3ccc(N(C)C)cc3)C2=O)cc1 21670093 UGHYDYJIWDHSBQ-ATVHPVEESA-N 349.390 3.568 10 40 EHCB CN(C)c1ccc([C@H]2OCCCN2Cc2ccccc2)cc1[N+](=O)[O-] 59489918 GKZHVXHAFWDNEM-LJQANCHMSA-N 341.411 3.582 10 40 EHCB Oc1ccc2c(oc3cc4c(O)nn(C5CCCCC5)c4nc32)c1O 95476234 RISOAJDZHIDWIQ-UHFFFAOYSA-N 339.351 3.953 10 40 EHCB O=C(OC1CCCCC1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](C(=O)O)N2 2459142 ICOHVCVFOZOLOK-VKJFTORMSA-N 341.407 3.715 10 40 EHCB Cc1ccccc1N1C(=O)/C(=C/C=C/c2ccco2)C(O)=NC1=S 545706 FWZDOGWMDZWIAL-CEOICYJGSA-N 338.388 3.816 10 40 EHCB CCN1C(=O)N/C(=C\c2cc(C)n(-c3ccc(Cl)cc3)c2C)C1=O 409226252 MGNQDWNHVCKOAA-YBEGLDIGSA-N 343.814 3.660 10 40 EHCB Cc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(C)n1C1CCCC1 33696058 YBUXBBGHBUUDSX-UYRXBGFRSA-N 349.434 3.681 10 40 EHCB COc1ccc(NC2=NC(=O)/C(=C\c3ccc(F)cc3)S2)cc1 16440220 JVTJFZGCRINWMQ-XNTDXEJSSA-N 328.368 3.917 10 40 EHCB CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C/NNc1ccccc1C 15134031 VLDRUJUAYNZUQF-LDADJPATSA-N 334.423 3.835 10 40 EHCB COC(=O)[C@@H]1Cc2ccccc2CN1Cc1c(O)ccc2ccccc12 35526374 CAEYYAXRMOWHKY-FQEVSTJZSA-N 347.414 3.645 10 40 EHCB O=[N+]([O-])c1ccc(O)c(CNC[C@H]2CCCO[C@@H]2c2ccccc2)c1 98009360 CUCNNHDXOSVPAL-DNVCBOLYSA-N 342.395 3.558 10 40 EHCB Cc1cc(-c2csc(N)n2)c(C)n1-c1ccc2c(c1)OCCO2 3886907 FBRVUSAXTQLQTE-UHFFFAOYSA-N 327.409 3.571 10 40 EHCB in-vitro Cc1ccc(/C=C2/SC(=S)N(c3cccc(C(=O)O)c3)C2=O)o1 5371021 NXTHPLPHTDYYPG-MDWZMJQESA-N 345.401 3.692 10 40 EHCB Cc1ccc(C(=O)O)cc1NC1=NC(=O)/C(=C\c2cccs2)S1 20226971 XBVWPECBDKCOEB-MDWZMJQESA-N 344.417 3.837 10 40 EHCB O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)C1CCCC1 69509721 XJKQQOHRQVZCBN-UHFFFAOYSA-N 338.398 3.563 10 40 EHCB CCO[C@H](C)c1nc(CC(=O)N[C@H](CC)c2ccccc2O)cs1 96409667 COTVSFDBHFAZPN-IUODEOHRSA-N 348.468 3.756 10 40 EHCB CC1(C)OC(=O)C(=CN(C2CCCCC2)C2CCCCC2)C(=O)O1 1591589 NOEUNVQVFGHTFB-UHFFFAOYSA-N 335.444 3.674 10 40 EHCB COc1ccccc1NC1=NC(=O)/C(=C\c2cccc(F)c2)S1 35647299 YEFDJLYMMDMXTH-XNTDXEJSSA-N 328.368 3.917 10 40 EHCB CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@](O)(CN=[N+]=[N-])c1ccccc1 72208043 GGBYJGCBYMWWLW-QAPCUYQASA-N 346.431 3.974 10 40 EHCB O=C1NC(=S)S/C1=C\c1ccccc1OCc1ccccc1 1083951 MWUFOKSMESXRKW-GDNBJRDFSA-N 327.430 3.754 10 40 EHCB Cc1cc(C(F)(F)F)n2nc(N)c(/N=N/c3ccc(O)cc3)c2n1 6189303 HTEQDCGXULVMNA-QZQOTICOSA-N 336.277 3.760 10 40 EHCB CCCN1C(=O)/C(=C/c2ccc(OCC)c(OC)c2)SC1=S 9188414 VNOYXELGSNYFMY-UVTDQMKNSA-N 337.466 3.705 10 40 EHCB CC1=NN(c2ccc(C)cc2)C(=O)/C1=C/NNc1ccc(Cl)cc1 16292692 YJMRNBHGBANGSF-GZTJUZNOSA-N 340.814 3.872 10 40 EHCB COCCn1c(C)cc(C(=O)c2sc3ccccc3c2O)c1C 12759458 YJZSLVVQQGCHQF-UHFFFAOYSA-N 329.421 3.903 10 40 EHCB CO[C@H](C)C(=O)N[C@@H](c1ccccc1)c1c(O)ccc2ccccc12 57995881 BTSRRYPCNHWVPH-VLIAUNLRSA-N 335.403 3.786 10 40 EHCB CCCN1C(=O)/C(=C/c2ccc(OC)c(OCC)c2)SC1=S 409339057 RIQUACCXLBZEOX-UVTDQMKNSA-N 337.466 3.705 10 40 EHCB COc1ccccc1/C=C1\SC(=S)N(n2c(C)ccc2C)C1=O 409348578 OVJLVMXUSPIPGV-GDNBJRDFSA-N 344.461 3.651 10 40 EHCB Oc1cc(CNCc2ccccc2)c(O)cc1CNCc1ccccc1 1680960 AZVNFJXPILGXEQ-UHFFFAOYSA-N 348.446 3.677 10 40 EHCB Cc1cc(C(=O)CSc2nnc[nH]2)c(C)n1-c1ccc(Cl)cc1 5620756 WGSOMFWMHPSSOE-UHFFFAOYSA-N 346.843 3.841 10 40 EHCB O=C1/C(=C/c2ccccc2)SC(=S)N1CN1CCCCCC1 59488427 LKYGIQFZNVDMHK-QINSGFPZSA-N 332.494 3.721 10 40 EHCB CC1=NN(c2ccc(F)cc2)C(=O)/C1=C/Nc1cc(Cl)ccc1O 101125050 WRDIPJAUOPNSQT-NTEUORMPSA-N 345.761 3.903 10 40 EHCB O=C1N=C(O)/C(=C\c2c[nH]c3ccccc23)C(=O)N1c1cccc(F)c1 4170679 WIYPPKPLHLWCFV-OVCLIPMQSA-N 349.321 3.814 10 40 EHCB CN(C)CCN(C)/N=N/c1c(-c2cccs2)n[nH]c1C(F)(F)F 4962550 VFMIUJKIOVDCHM-CZIZESTLSA-N 346.382 3.649 10 40 EHCB O=C1/C(=C/c2ccc(Cl)cc2)SC(=S)N1C[C@H]1CCCO1 13584046 PANDWSGQYRFOLI-YFBAIUBQSA-N 339.869 3.720 10 40 EHCB Cc1cccc(NC(=S)NCCCN2CCc3ccccc32)c1 225558364 HOUMAPWUYPMXAQ-UHFFFAOYSA-N 325.481 3.734 10 40 EHCB COc1ccc(N2CCCN(C(=O)c3cccc(Cl)c3)CC2)cc1 55877502 HSWYMLAADOSFRI-UHFFFAOYSA-N 344.842 3.701 10 40 EHCB Cc1ccc(N(C)CCNC(=S)Nc2ccc(F)cc2F)cc1 225795796 JHYSOOITXSGBKD-UHFFFAOYSA-N 335.423 3.696 10 40 EHCB O=Cc1ccc(/C=C2\SC(=S)N(Nc3ccccc3)C2=O)cc1 5552924 FEKSDRSGXFETBL-GDNBJRDFSA-N 340.429 3.727 10 40 EHCB Cn1c(-c2ccccc2)cnc1SCC(=O)Nc1ccc(F)cc1 7128631 HEEDBTJYYQJZRY-UHFFFAOYSA-N 341.411 3.957 10 40 EHCB S=C(NCc1ccc(N2CCCCC2)cc1)Nc1ccncc1 225419400 KCBBDGOAHFWBIK-UHFFFAOYSA-N 326.469 3.559 10 40 EHCB COc1cccc(NC2CCN(c3ccc4c(c3)OCCO4)CC2)c1 585164871 NYSKWUNZYVMDRV-UHFFFAOYSA-N 340.423 3.547 10 40 EHCB NC(=O)c1cccc2c1N[C@H](c1cccc([N+](=O)[O-])c1)[C@@H]1CC=C[C@H]21 4725824 ULMBGXXVZASLBH-JJRVBVJISA-N 335.363 3.520 10 40 EHCB O=C(O)CCN1C(=O)/C(=C\c2ccc3ccccc3c2)SC1=S 7166499 IVRBGZJDVLBNRM-GXDHUFHOSA-N 343.429 3.516 10 40 EHCB O=C1c2ccccc2C(=O)C1(Nc1cccc(CO)c1)c1ccccc1 59461463 NLSKTDAQUVWNDM-UHFFFAOYSA-N 343.382 3.566 10 40 EHCB CC(C)(C)OC(=O)N1CCC[C@H]([C@](O)(CN=[N+]=[N-])c2ccccc2)C1 72208096 QBPPHENVTFRNSY-YJBOKZPZSA-N 346.431 3.832 10 40 EHCB CCN(CC)c1ccc(C(NN)c2ccc(N(CC)CC)cc2)cc1 199547253 XLBGKTWYPGVWHW-UHFFFAOYSA-N 340.515 3.932 10 40 EHCB CCN(CC)Cc1ccccc1NC(=O)N(C)Cc1ccccc1O 47569216 BLNCBMVXRPICPH-UHFFFAOYSA-N 341.455 3.898 10 40 EHCB CN(C)c1ccc([C@H]2C[C@@H](c3cccs3)Nc3ncnn32)cc1 80790 OLEVJJXTKBJNDN-LSDHHAIUSA-N 325.441 3.552 10 40 EHCB Cc1[nH]c2ccccc2c1/C=C1/C(=O)N(C(C)(C)C)C(=O)N=C1O 17029086 GSACEOBBACKBKD-UKTHLTGXSA-N 325.368 3.577 10 40 EHCB Cc1cc(NC(=S)NCc2ccccn2)ccc1Br 225329236 SYIXPGUTJJRACA-UHFFFAOYSA-N 336.258 3.639 10 40 EHCB CN(C)c1ccc([C@H]2OCCCN2C(=S)Nc2ccccc2)cc1 1249839 IYURRXGEVNWQFG-GOSISDBHSA-N 341.480 3.871 10 40 EHCB CC1(C)OC(=O)C(=CNc2ccc(Nc3ccccc3)cc2)C(=O)O1 2534732 WWIUCNYLCPRHPH-UHFFFAOYSA-N 338.363 3.562 10 40 EHCB CCCCN1C(=O)[C@]2(NN=C(c3ccccc3)S2)c2ccccc21 4689932 UZWNINAIFFTNSD-IBGZPJMESA-N 337.448 3.684 10 40 EHCB O=C1/C(=C\c2ccccc2)SC(=S)N1c1ccc2c(c1)OCO2 1416611 SSLGRMFGXAYSCT-OVCLIPMQSA-N 341.413 3.821 10 40 EHCB Nc1nn2c(=O)c3c([nH]c2c1/N=N/c1ccc(Cl)cc1)CCCC3 103674929 VGCMKPYOWZXKRE-QZQOTICOSA-N 342.790 3.552 10 40 EHCB CN(C)c1ccc(/C=C2/CC(=S)N(c3cccc(O)c3)C2=O)cc1 1899342 WBZAHDVXQUPFMG-UVTDQMKNSA-N 338.432 3.606 10 40 EHCB CC1=NN(c2ccc(C(=O)O)cc2)C(=O)/C1=C\C=C/c1ccccc1 33287975 KGRQDYPSOXAJLZ-ULMKDNCXSA-N 332.359 3.747 10 40 EHCB CC(=O)Nc1ccc(NC2=NC(=O)/C(=C\c3ccccc3)S2)cc1 35042420 GFQUMSMKQSFNBM-LFIBNONCSA-N 337.404 3.727 10 40 EHCB COc1ccc2c(c1)CCN2Cc1ccc(OCc2nccn2C)cc1 58945042 JLBCSLMPKAVXNV-UHFFFAOYSA-N 349.434 3.570 10 40 EHCB O=C1[C@H](Cc2ccc(F)cc2)SC(=S)N1CCc1ccccc1 409145896 QISVICHHPNBIRW-INIZCTEOSA-N 345.464 3.840 10 40 EHCB COc1ccc(C2=C/C(=C/c3cc(OC)ccc3OC)C(=O)O2)cc1 199934 VSKAFEVVHNYYFK-GDNBJRDFSA-N 338.359 3.694 10 40 EHCB COc1ccc(-c2cn3c([n+]2Cc2ccccc2)SCCC3)cc1 239742 FLZNIQYNWMEHMX-UHFFFAOYSA-N 337.468 3.995 10 40 EHCB Cc1cc(S(=O)(=O)Nc2ccc(O)c(Cl)c2)ccc1Cl 3328124 JDOTWEJIUDAJTD-UHFFFAOYSA-N 332.208 3.808 10 40 EHCB COC(=O)c1sc2nc(C(C)(C)C)cc(C(F)(F)F)c2c1N 4228006 HCVKWTMIQSJTLU-UHFFFAOYSA-N 332.347 3.981 10 40 EHCB CCOC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1ccc(F)cc1 12413432 RDIJRVDPYHHGIJ-YBEGLDIGSA-N 331.387 3.544 10 40 EHCB CCOc1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2C)cc1OC 13532770 VHCCFCNOELPFCN-ATVHPVEESA-N 336.391 3.900 10 40 EHCB O=C(O)c1ccccc1/C=C1/SC(=S)N(C2CCCCC2)C1=O 16905124 AJBDRUMMVGNRPS-GXDHUFHOSA-N 347.461 3.919 10 40 EHCB Cn1c(/C=C2/SC(=S)N(C(C)(C)C)C2=O)nc2ccccc21 5235983 QYXWIQOFXIHWCS-FMIVXFBMSA-N 331.466 3.573 10 40 EHCB Cc1cc(C(=O)[C@@H](C)Sc2nncn2C)c(C)n1-c1ccccc1 5711404 MATACIJGNLXHRX-CQSZACIVSA-N 340.452 3.586 10 40 EHCB Cc1ccc(/N=N/c2ccc(N)c3ccccc23)c(S(N)(=O)=O)c1 18115877 OWLZUIVKBHHMIF-QZQOTICOSA-N 340.408 3.793 10 40 EHCB CCCCOc1ccc(S(=O)(=O)Nc2ccc(O)cc2)cc1C 41105581 VOISALIXQPJSDX-UHFFFAOYSA-N 335.425 3.680 10 40 EHCB Cc1ccccc1-n1c(C)cc(C(=O)NO[C@@H]2CCCCO2)c1C 72059990 QOOCSQCMTXLWSE-GOSISDBHSA-N 328.412 3.591 10 40 EHCB CN(C)CCN(C)/N=N\c1c(-c2cccs2)n[nH]c1C(F)(F)F 104119130 VFMIUJKIOVDCHM-ZZEZOPTASA-N 346.382 3.649 10 40 EHCB COC(=O)C1=C(C)N(c2cc(C)cc(C)c2)C(=O)/C1=C\c1ccco1 4673553 IRNRNFHDCBLKLJ-BOPFTXTBSA-N 337.375 3.774 10 40 EHCB CCCCOc1ccc(/C=C2\SC(=S)NC2=O)cc1OCC 7155198 HJICRLBGEZDSIF-UVTDQMKNSA-N 337.466 3.753 10 40 EHCB CC1=NN(C(=O)Cc2ccccc2)C(=O)/C1=C/C=C/c1ccccc1 104299086 ZCLSHQBPZSFVRO-MZZBYLLYSA-N 330.387 3.614 10 40 EHCB COc1ccc(N(C)CCCNC(=O)c2ccc(C)cc2C)cc1 225058296 DQJFEPOUUMXQSN-UHFFFAOYSA-N 326.440 3.568 10 40 EHCB COC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1C(=O)O)N2 409166488 CSLKAHOMMTWXRL-LPMFXHHGSA-N 349.386 3.998 10 40 EHCB O=C1N=C(Nc2ccccc2C(=O)O)S/C1=C\c1ccc(F)cc1 5372961 UKMAYAPSXMGZAC-ZROIWOOFSA-N 342.351 3.606 10 40 EHCB CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C\c1ccc2c(c1)OCO2 5546954 GJXFQHCMPPDDRH-MFOYZWKCSA-N 334.375 3.838 10 40 EHCB CCOc1cc(/C=C2\C(=O)N(c3cccc(F)c3)N=C2C)ccc1O 17146118 BZRGVBAIUFISPN-SXGWCWSVSA-N 340.354 3.736 10 40 EHCB CCN(CC)c1ccc(CNC(=O)[C@@H](C)Oc2ccccc2)cc1 225661381 AGTSDVGGZNNSMV-MRXNPFEDSA-N 326.440 3.617 10 40 EHCB CCCC(=O)N1N=C(c2ccc(OC)cc2)C[C@H]1c1ccccc1O 8774925 GMHVGTCGMOWSAV-SFHVURJKSA-N 338.407 3.879 10 40 EHCB O=C(CCC1CCCC1)NCc1ccc(N2CCSCC2)cc1 48367274 WCBBDXHXLXUWOG-UHFFFAOYSA-N 332.513 3.826 10 40 EHCB C[C@H](Oc1ccccc1)C(=O)NCc1ccc(N2CCCCC2)cc1 62225702 UJGUMMJNVFDWLW-KRWDZBQOSA-N 338.451 3.761 10 40 EHCB O=c1c2ccc(C(F)(F)F)cc2nc2n1CC/C2=C/c1cccnc1 96759158 MFIPNCTXUDUIQJ-WQLSENKSSA-N 343.308 3.755 10 40 EHCB CC1=NN(c2ccccc2)C(=O)/C1=C\c1cc2ccc(C)cc2[nH]c1=O 12555275 CEACDUIOMMXLJW-PDGQHHTCSA-N 343.386 3.643 10 40 EHCB Cc1cc(C(=O)Nc2cnc(C(C)(C)C)nc2)c(C)n1-c1ccccn1 63817852 JRRKDXCKIBPOOJ-UHFFFAOYSA-N 349.438 3.829 10 40 EHCB Cc1cc2n(n1)[C@H](c1ccc(N3CCOCC3)cc1)Nc1ccccc1-2 817693 GIBTVDYQSXKVEV-OAQYLSRUSA-N 346.434 3.668 10 40 EHCB CCc1cc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)sc1C 8028588 OEKBPXVODUYXEQ-UHFFFAOYSA-N 344.480 3.590 10 40 EHCB Oc1ccccc1C1=N[C@H](c2ccccn2)N[C@H](c2ccccc2O)C1 80324873 OFWAEIMXKGFGCG-LAUBAEHRSA-N 345.402 3.715 10 40 EHCB O=C(N[C@H](c1ccccc1)c1c(O)ccc2ccccc12)[C@H]1CCCO1 41978427 PWOLFCUBWWATNE-TZIWHRDSSA-N 347.414 3.930 10 40 EHCB O=C1N=C(Nc2cccnc2)S/C1=C\c1ccc2ccccc2n1 54360827 NFMSXKXJQOIHFN-YBEGLDIGSA-N 332.388 3.712 10 40 EHCB O=C1Nc2cc(Cl)ccc2/C1=C/c1ccc(N2CCOCC2)cc1 3215735 GDXAOUQRTVSMTE-BOPFTXTBSA-N 340.810 3.669 10 40 EHCB COc1ccc(N2C(=O)/C(=C/c3cccc(O)c3)SC2=S)cc1 1416234 YDKYGSILBCQCIN-GDNBJRDFSA-N 343.429 3.807 10 40 EHCB COCCn1c(C)cc(/C=C2\C(=O)Nc3ccc(Cl)cc32)c1C 13038433 XUZQAPMCRRXIHQ-SXGWCWSVSA-N 330.815 3.897 10 40 EHCB Cc1ccc(NC(=O)c2cn(Cc3ccc(N)cc3)cn2)c(Cl)c1 71775352 XBTBYTCWWRIUMW-UHFFFAOYSA-N 340.814 3.728 10 40 EHCB CC1(C)OC(=O)C(=Cc2ccc(-c3cccc(Cl)c3)o2)C(=O)O1 118128 MGALVKDFKLRRQV-UHFFFAOYSA-N 332.739 3.820 10 40 EHCB CCOc1cccc(/C=C2\SC(N3CCCCC3)=NC2=O)c1OC 7701158 DMWVMDLIRUEHHM-QINSGFPZSA-N 346.452 3.550 10 40 EHCB Oc1ccc2ccccc2c1CN1CCN(CCc2ccccc2)CC1 28812388 ZHSQHTOLKBGLQZ-UHFFFAOYSA-N 346.474 3.906 10 40 EHCB CN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1C[C@H]1c1cccc(F)c1 67140909 VCMSEBFJEXFQAK-RBUKOAKNSA-N 326.415 3.654 10 40 EHCB O=C(O)c1ccc(/N=N/[C@@H]2Sc3nc4ccccc4n3C2=O)cc1 103899428 JEFOVHPYTCSNLA-NIVDNSEKSA-N 338.348 3.590 10 40 EHCB CCOc1ncccc1-c1nc(-c2ccc(-n3cccc3)cc2)no1 4708860 PSUVPRRCGHXMEZ-UHFFFAOYSA-N 332.363 3.988 10 40 EHCB Cc1cccc(NC2=NC(=O)/C(=C3\C(=O)Nc4ccccc43)S2)c1C 13765624 MNHUQNMQMMLMNL-FOCLMDBBSA-N 349.415 3.708 10 40 EHCB CN(C)c1ccc(CN2CC[C@H](c3nnc(-c4ccccc4)o3)C2)cc1 49169312 ILGZDBPGOMCIBO-SFHVURJKSA-N 348.450 3.792 10 40 EHCB biogenic,in-vitro CCOC(=O)/C(=C/c1ccc(N(C)C)cc1)c1nc2ccccc2[nH]1 5499596 XXUPOMSXDZQKHH-DTQAZKPQSA-N 335.407 3.733 10 40 EHCB COc1cccc(-n2c(C)cc(C(=O)Nc3c(C)noc3C)c2C)c1 63489080 WQNIQSAVUOBVCJ-UHFFFAOYSA-N 339.395 3.960 10 40 EHCB O=C1[C@@H](/N=N\c2ccc([N+](=O)[O-])cc2)Sc2nc3ccccc3n21 103877800 SXVZQUTWJZBFBE-FKEVTRRJSA-N 339.336 3.800 10 40 EHCB COC(=O)c1ccc([C@@H]2Nc3ccc(C(=O)O)cc3[C@H]3C=CC[C@@H]32)cc1 4140421 QNNQRBONDFMTCC-BXWFABGCSA-N 349.386 3.998 10 40 EHCB CCOc1cc(/C=C2/SC(=S)N(C(C)(C)C)C2=O)ccc1O 18063983 VSTHLCXJTNYQLO-UKTHLTGXSA-N 337.466 3.791 10 40 EHCB CCN(CC)CN1C(=O)/C(=C\c2ccc(Cl)cc2)SC1=S 24716572 GBJFVPWFKIWWCH-UKTHLTGXSA-N 340.901 3.841 10 40 EHCB O=C1c2ccccc2-c2c1c1ccccc1c(=O)n2Cc1ccccn1 28641045 RYCSNCAJGGSBLK-UHFFFAOYSA-N 338.366 3.656 10 40 EHCB biogenic CCOc1ccccc1NC1=NC(=O)/C(=C/c2cccnc2)S1 8659587 UUHIGWSHIXNYJH-GDNBJRDFSA-N 325.393 3.563 10 40 EHCB C[C@@H]1CCCN(Cc2c(O)c(Cl)cc3c4c(c(=O)oc23)CCC4)C1 19913146 AHKMKPDAZASEIB-LLVKDONJSA-N 347.842 3.873 10 40 EHCB O=C(O)/C=C\c1ccc([N+]([O-])=Nc2ccc(/C=C/C(=O)O)cc2)cc1 104344660 MYLSINGHPQBDKM-SOOVHSEPSA-N 338.319 3.808 10 40 EHCB Fc1ccccc1NC(=S)NCCCN1CCCc2ccccc21 225745375 LIVFLSNWNIGREP-UHFFFAOYSA-N 343.471 3.955 10 40 EHCB Cc1cccc(-n2c(C)cc(C(=O)CSc3nncn3C)c2C)c1 48333732 OJCUMUAFAWROEO-UHFFFAOYSA-N 340.452 3.506 10 40 EHCB O=C(O)/C=C/c1ccc(N=[N+]([O-])c2ccc(/C=C/C(=O)O)cc2)cc1 104344668 MYLSINGHPQBDKM-UPMGITSZSA-N 338.319 3.808 10 40 EHCB CCOc1cccc(/C=C2\SC(=S)N(CC(C)C)C2=O)c1O 409030617 GRDOOQBMROEDBL-JYRVWZFOSA-N 337.466 3.648 10 40 EHCB O=C1/C(=C/Nc2ccc(F)cc2)SC(=S)N1Cc1ccco1 618254885 IMLHXFQFWDGRHT-JYRVWZFOSA-N 334.397 3.733 10 40 EHCB CC(=O)c1cc(Cl)cc(CN2CC[C@H](Nc3ccccc3)C2)c1O 72312079 NNUMUVAFWHJDAB-KRWDZBQOSA-N 344.842 3.935 10 40 EHCB O=C(NCc1cccnc1)N(Cc1ccccc1O)C1CCCCC1 78680139 SATMIAXAEZJBQP-UHFFFAOYSA-N 339.439 3.832 10 40 EHCB O=C(O)/C=C\C(=O)Nc1ccc(/N=N/c2ccc([N+](=O)[O-])cc2)cc1 17312291 MLWAUUDZBYAJPM-HFTJRMBSSA-N 340.295 3.590 10 40 EHCB CC1=NN(C(=O)Cc2ccccc2)C(=O)/C1=C\C=C/c1ccccc1 104299078 ZCLSHQBPZSFVRO-HFHMEBCDSA-N 330.387 3.614 10 40 EHCB COc1ccc(N2C(=O)/C(=C/c3ccc(O)cc3)SC2=S)cc1 3071888 XPGQYJDPWGRSSM-GDNBJRDFSA-N 343.429 3.807 10 40 EHCB C[C@@H]1CCCN(c2ccc(CNC(=S)Nc3ccncc3)cc2)C1 225692587 RTRCNEHEVDEPOD-OAHLLOKOSA-N 340.496 3.805 10 40 EHCB CN1CCC(=C2c3ccccc3C[S@](=O)c3sccc32)CC1 6638487 FSQVDETZDASOAR-JOCHJYFZSA-N 329.490 3.897 10 40 EHCB COc1ccc(NC2=NC(=O)/C(=C/c3ccc(C)o3)S2)c(OC)c1 35043116 BZGZHJCITQDHQR-DHDCSXOGSA-N 344.392 3.688 10 40 EHCB CC(C)c1ccc(N2C(=O)/C(=C\c3ccc[nH]3)C(O)=NC2=S)cc1 57462901 AENUYTORYANROM-GDNBJRDFSA-N 339.420 3.810 10 40 EHCB Cc1cn2c(CNCc3ccc(N4CCCC4)cc3)c(C)nc2s1 69873620 DCAYOOWGMQJABG-UHFFFAOYSA-N 340.496 3.903 10 40 EHCB Cc1cc(-c2csc(NS(=O)(=O)c3cccs3)n2)c(C)o1 79911474 LOQFYXZOOLSUPL-UHFFFAOYSA-N 340.451 3.882 10 40 EHCB COc1ccc(CNC2CCN(C(=O)CC(C)(C)C)CC2)cc1C 89146273 FARJOIRDMMCUQU-UHFFFAOYSA-N 332.488 3.520 10 40 EHCB O=C(O)/C=C\C(=O)Nc1ccc(/N=N\c2ccc([N+](=O)[O-])cc2)cc1 104372798 MLWAUUDZBYAJPM-DEXHTJMYSA-N 340.295 3.590 10 40 EHCB CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)ccc1OC 1408355 SKJSXHHACBCPMW-SFQUDFHCSA-N 336.391 3.900 10 40 EHCB O=C(N1N=C(c2ccccc2)C[C@@H]1c1ccccc1O)C(F)(F)F 6590548 VBSVFCVUBVAXMH-CQSZACIVSA-N 334.297 3.632 10 40 EHCB CN1CCC(=C2c3ccccc3C[S@@](=O)c3sccc32)CC1 6638484 FSQVDETZDASOAR-QFIPXVFZSA-N 329.490 3.897 10 40 EHCB O=C(NC1CCCCC1)c1nc(-c2ccc(-n3cccc3)cc2)no1 4707469 DJHSVBUYZIVXFB-UHFFFAOYSA-N 336.395 3.590 10 40 EHCB CN(C)c1ccc(CN2CC[C@H](c3nc4ccccc4n3C)C2)cc1 49171172 DEMQVGXRSFTSQK-KRWDZBQOSA-N 334.467 3.629 10 40 EHCB biogenic,in-vitro CCOc1ccc(/C=C2/SC(NC3CCCCC3)=NC2=O)cc1 96669664 QZBAYBZBJLFGCV-FOWTUZBSSA-N 330.453 3.978 10 40 EHCB COc1ccc(N(C)Cc2cc(Cl)cc3c2OCOC3)cc1OC 63616733 AVBXPPADHLCNOR-UHFFFAOYSA-N 349.814 3.860 10 40 EHCB CC(C)c1cc(C(=O)N(Cc2ccco2)Cc2ccccc2O)n[nH]1 71914175 KXFDAGSEQOMWTF-UHFFFAOYSA-N 339.395 3.674 10 40 EHCB CCOc1ccccc1NC(=S)NCCN(C)c1ccccc1 16704929 OVPUYNXEKNFTQB-UHFFFAOYSA-N 329.469 3.508 10 40 EHCB CCCN(Cc1ccccc1O)C(=O)c1cc(C)nc2onc(C)c12 79336389 DHZMVQJOEUWCKJ-UHFFFAOYSA-N 339.395 3.598 10 40 EHCB Cc1cn2c(n1)[C@@H](CNCc1ccc(N3CCCCC3)cc1)CCC2 89702123 WUMPKPHEEULEFO-LJQANCHMSA-N 338.499 3.849 10 40 EHCB O=C1/C(=C/c2ccncc2)SC(=S)N1CCc1ccccc1 36613185 MORGTPJJVPIDDT-QINSGFPZSA-N 326.446 3.526 10 40 EHCB O=C(O)c1cccc(N2C(=O)/C(=C/c3cccs3)SC2=S)c1 1452330 ISNNRBPUTBOXIU-WQLSENKSSA-N 347.442 3.852 10 40 EHCB CCn1ccc(/C=C2/C(=O)N(c3ccccc3)N=C2c2ccccc2)n1 6490318 FAOBHXRHVQQYFG-XDJHFCHBSA-N 342.402 3.738 10 40 EHCB Cc1cc(C)c(O)c(C2=NN[C@H](c3ccc(Br)o3)C2)c1 4423351 CVDDLJMDFOXTFU-LBPRGKRZSA-N 335.201 3.803 10 40 EHCB CCOCC(=O)OCC(=O)Nc1ccc(/N=N/c2ccccc2)cc1 6613042 KAEWYSWCOMRQPR-QZQOTICOSA-N 341.367 3.620 10 40 EHCB CN(C)c1ccc(CNC(=O)c2csc(-c3cccs3)n2)cc1 12591895 UNIAKFVZZSDSCZ-UHFFFAOYSA-N 343.477 3.868 10 40 EHCB CCOc1ccc(/C=C2\SC(N3CCCC3)=NC2=O)c(OCC)c1 13533290 VPORTFBSZSMLQZ-WJDWOHSUSA-N 346.452 3.550 10 40 EHCB O=C(Cc1cccs1)Nc1cccc2c1C(=O)c1ccccc1C2=O 22672948 PEFSRIXYSXENHW-UHFFFAOYSA-N 347.395 3.705 10 40 EHCB CCN1C(=O)/C(=C2\C=Cc3cc(OC)ccc3N2CC)SC1=S 57837546 POFNDOYRZTUNPP-PFONDFGASA-N 346.477 3.640 10 40 EHCB Cc1noc(COC(=O)c2ccccc2/N=N/c2ccc(O)cc2)n1 102190667 LTALSAHUAZLUQL-FMQUCBEESA-N 338.323 3.856 10 40 EHCB CCN(CC)c1ccc(CNC(=O)Nc2ccccc2OC)cc1 225771052 QJYBTBFHEAWGPX-UHFFFAOYSA-N 327.428 3.863 10 40 EHCB CCc1cc(=O)oc2c3c(ccc12)OCN(c1ccc(OC)cc1)C3 2160359 GDTSJKMVFPGXJW-UHFFFAOYSA-N 337.375 3.721 10 40 EHCB biogenic O=[N+]([O-])c1ccc(O)c(CNc2c(F)c(F)c(F)c(F)c2F)c1 13801222 MIMNQEYCYALWQT-UHFFFAOYSA-N 334.200 3.608 10 40 EHCB O=C(CCc1ccccc1F)NCc1ccc(N2CCCC2)cc1 32914703 ZBBCMSJKHVDWID-UHFFFAOYSA-N 326.415 3.675 10 40 EHCB CN(C)c1ccc(/C=C2\SC(Nc3ccc(F)cc3)=NC2=O)cc1 5140097 UZLQIUWEJNAISS-WJDWOHSUSA-N 341.411 3.974 10 40 EHCB COc1ccc(/C=C2\SC(c3ccccc3)=NC2=O)cc1OC 15016641 VQXWBQDOHGOIKZ-WJDWOHSUSA-N 325.389 3.765 10 40 EHCB Cc1ccc(-c2cnc(SCC(=O)Nc3nccs3)n2C)cc1 24939501 ILAUOELFUUSYLA-UHFFFAOYSA-N 344.465 3.583 10 40 EHCB COC(=O)c1sc2c(cnc3cc(C(F)(F)F)ccc32)c1O 40164049 WARWKTMDNWYNPI-UHFFFAOYSA-N 327.283 3.961 10 40 EHCB Cc1ccc(N2C(=O)/C(=C/c3cc(C)n(C)c3C)NC2=S)cc1C 409141562 VNPWSWVEQNADDV-YVLHZVERSA-N 339.464 3.521 10 40 EHCB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1-n1c(C)ccc1C 3242470 RJYNSULDOHGVIN-UHFFFAOYSA-N 332.469 3.577 10 40 EHCB CN(CC(=O)Nc1ccc(F)cc1)Cc1c(O)ccc2ccccc12 6590734 ZJMMOFSRXVXXCL-UHFFFAOYSA-N 338.382 3.755 10 40 EHCB COc1ccc(N2C(=O)/C(=C/c3ccco3)SC2=S)c(OC)c1 6736132 CBDLNARJAWVOKC-ZROIWOOFSA-N 347.417 3.703 10 40 EHCB O=C(O)c1ccc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)cc1 16905170 KRLGXYAMKMASQG-GXDHUFHOSA-N 347.461 3.919 10 40 EHCB Fc1cccc(NC(=S)NCCCN2CCc3ccccc32)c1 225559742 GOEABYJXSWMBFB-UHFFFAOYSA-N 329.444 3.565 10 40 EHCB COc1ccccc1N1C(=O)/C(=C\c2cccc(O)c2)SC1=S 6007471 OYMHYMSUOIKKGR-XNTDXEJSSA-N 343.429 3.807 10 40 EHCB CC1(C)[C@]2(C)CC[C@@]1(C(=O)Oc1ccc3ccccc3c1)C(=O)C2=O 2172626 MYHLUVCRMZVOLI-RTWAWAEBSA-N 336.387 3.710 10 40 EHCB COC(=O)c1ccc([C@@H]2Nc3ccc(C(=O)O)cc3[C@@H]3C=CC[C@H]32)cc1 13389176 QNNQRBONDFMTCC-MDZRGWNJSA-N 349.386 3.998 10 40 EHCB O=C1S/C(=C\c2ccc(O)c(O)c2)C(=O)N1c1cccc(Cl)c1 39860579 GYDQYRAQASVPJH-AUWJEWJLSA-N 347.779 3.992 10 40 EHCB COc1ccc(OC)c(/N=N/c2c(O)[nH]c3ccccc3c2=O)c1 16989948 QALMVSCMQMHCML-FMQUCBEESA-N 325.324 3.666 10 40 EHCB Fc1ccccc1NC(=S)NCCCN1CCc2ccccc21 225559379 OITWFFGVYWCNQB-UHFFFAOYSA-N 329.444 3.565 10 40 EHCB CN(C)c1ccc([C@@H]2C[C@H](c3cccs3)Nc3ncnn32)cc1 80800 OLEVJJXTKBJNDN-CABCVRRESA-N 325.441 3.552 10 40 EHCB Cc1ccc(C(=O)O)cc1NC1=NC(=O)/C(=C/c2ccccc2)S1 54164259 OLCRHEMPQPSECX-DHDCSXOGSA-N 338.388 3.776 10 40 EHCB CCN1C(=O)/C(=C/c2ccc(N3CCCCCC3)o2)SC1=S 6891424 BMLFZPQUMYLROA-QBFSEMIESA-N 336.482 3.881 10 40 EHCB C[C@H](O[C@H]1CC(=O)C[C@H]2C(=O)c3ccccc3C(=O)[C@H]12)c1ccccc1 18130745 QPZYNQGSSNBJQS-XVVDYKMHSA-N 348.398 3.807 10 40 EHCB Cc1ccc(/N=N/c2c(N)nn3c(=O)cc(-c4ccccc4)[nH]c23)cc1 95544155 YWOULBHTULZKNF-GHVJWSGMSA-N 344.378 3.996 10 40 EHCB Cc1ccc(-n2c(C)cc(C(=O)CSc3nncn3C)c2C)cc1 3396516 FKASOQHIRZBUEJ-UHFFFAOYSA-N 340.452 3.506 10 40 EHCB C[C@@H](NCc1ccc2c(c1)CCO2)c1nc(-c2ccc(F)cc2)no1 78553439 PPCYSPSIIHEJEU-GFCCVEGCSA-N 339.370 3.661 10 40 EHCB Cc1ccc(C)n1-c1ccc(C(=O)Nn2cnc3ccccc32)cc1 27037867 FHRSWMIPEHOZOZ-UHFFFAOYSA-N 330.391 3.828 10 40 EHCB CN(C)c1ccc(CNC2(c3ccc(F)cc3)CCOCC2)cc1F 69898441 MQQVIXQFJUPYIS-UHFFFAOYSA-N 346.421 3.826 10 40 EHCB CCC(=O)N1N=C(c2ccc(O)c(OC)c2)C[C@H]1c1cccc(C)c1 95946343 KIPMLEPHJZUKSB-KRWDZBQOSA-N 338.407 3.797 10 40 EHCB COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)CN=[N+]=[N-])cc1 102829413 IGPCCUSAYCFPRP-QGZVFWFLSA-N 335.367 3.683 10 40 EHCB Cc1cc(C=O)c(C)n1NC(=O)c1cccc(-n2c(C)ccc2C)c1 408569238 ZQVPXEHVAYSGGC-UHFFFAOYSA-N 335.407 3.709 10 40 EHCB COC(=O)c1cccc2c1N[C@@H](c1ccc(C(=O)O)cc1)[C@@H]1CC=C[C@H]21 4140440 AWLTWPHKRLCZJX-DAYGRLMNSA-N 349.386 3.998 10 40 EHCB O=C(c1ccccc1)N1N=C(c2ccco2)C[C@H]1c1ccccc1O 8734921 YDKHKTKGVYXCOC-KRWDZBQOSA-N 332.359 3.977 10 40 EHCB Cc1ccc(-c2cnc(SCC(=O)N3CCCCC3)n2C)cc1 10347265 NRZIQPBIGZCYKC-UHFFFAOYSA-N 329.469 3.500 10 40 EHCB CCCCOc1ccccc1/C=C1\SC(N2CCCC2)=NC1=O 13511871 SBLHLDXFFGDCRA-SSZFMOIBSA-N 330.453 3.932 10 40 EHCB Cc1cc(C(=O)CSc2nnc[nH]2)c(C)n1-c1cccc(Cl)c1 6365831 QSBJRLSARLHONO-UHFFFAOYSA-N 346.843 3.841 10 40 EHCB COc1ccc2c(c1)CCCN2Cc1nc(-c2ccc(F)cc2)no1 12608454 YFTLTYWYCRXITF-UHFFFAOYSA-N 339.370 3.837 10 40 EHCB CC(C)[C@@H](NC(=O)OC(C)(C)C)[C@@](O)(CN=[N+]=[N-])c1ccccc1 72207944 NYVVOYWRTCDZMA-RHSMWYFYSA-N 334.420 3.734 10 40 EHCB CCN(CC(=O)c1c(C)[nH]c2ccccc12)c1ccc2c(c1)OCO2 545613 UCEYVOLXUJEPBX-UHFFFAOYSA-N 336.391 3.914 10 40 EHCB COc1ccc2c(c1)CCN2Cc1nnc(-c2ccccc2Cl)o1 58943328 TWXLFOIKJBRQMU-UHFFFAOYSA-N 341.798 3.961 10 40 EHCB CCOC(=O)[C@@H]1Cc2ccccc2CN1Cc1cc(Cl)ccc1O 199416293 BJEYSGNZXHMUFY-KRWDZBQOSA-N 345.826 3.536 10 40 EHCB COc1ccccc1N/C=C1/SC(=S)N(Cc2ccco2)C1=O 9421919 PLBDRVKSOLGNSD-NTEUORMPSA-N 346.433 3.602 10 40 EHCB COc1cccc(/C=C2/C=C(c3ccc(OC)c(OC)c3)OC2=O)c1 13615339 AAKNGFVXYMIBBY-DHDCSXOGSA-N 338.359 3.694 10 40 EHCB CC(C)CN1C(=O)/C(=C/c2ccc3c(c2)C[C@@H](C)O3)SC1=S 2325739 PCMLOJNDXYVHGI-SHLUWWQESA-N 333.478 3.867 10 40 EHCB O=C(c1ccccc1)N1N=C(c2ccc(O)cc2)C[C@H]1c1ccco1 4292023 XDUPSAJJDQPMQV-SFHVURJKSA-N 332.359 3.977 10 40 EHCB CC(=O)c1ccc(N2C(=O)/C(=C\c3ccco3)SC2=S)cc1 4745654 RIEUBQJZVNUFPI-NTEUORMPSA-N 329.402 3.888 10 40 EHCB COC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1ccccc1O 408895118 TVQKCXJBVCEMLS-ATVHPVEESA-N 349.386 3.578 10 40 EHCB CC(C)c1nnc(NC(=O)NCc2ccc(N3CCCC3)cc2)s1 40104042 RRRJNUXKVNMXBS-UHFFFAOYSA-N 345.472 3.583 10 40 EHCB COCCn1c(C)cc(/C=C2/C(=O)Nc3cc(Cl)ccc32)c1C 2644375 WHUXFTSUQAAORN-CXUHLZMHSA-N 330.815 3.897 10 40 EHCB OCC1CCN(c2ccc(CNc3nc4ccccc4o3)cc2)CC1 52446656 LVRJPWFZNDRTNQ-UHFFFAOYSA-N 337.423 3.649 10 40 EHCB Cc1oc(-c2cccs2)nc1C(=O)N(C)Cc1ccccc1O 53916310 SWDDVHGUPLLBRV-UHFFFAOYSA-N 328.393 3.689 10 40 EHCB CC(C)(C)OC(=O)N1CCC([C@@](O)(CN=[N+]=[N-])c2ccccc2)CC1 72208120 BITLDEGIFJDJOY-GOSISDBHSA-N 346.431 3.832 10 40 EHCB O=C(CCc1ccc(F)cc1)NCc1c(O)ccc2c1CCCC2 76089121 BKAKPRLZHJVDNL-UHFFFAOYSA-N 327.399 3.659 10 40 EHCB O=[N+]([O-])c1ccc(O)c(CNC[C@@H]2CCCO[C@@H]2c2ccccc2)c1 98009358 CUCNNHDXOSVPAL-HNAYVOBHSA-N 342.395 3.558 10 40 EHCB CCN(CC)c1ccc(CN[C@H](CC(=O)O)c2cccs2)cc1 3026209 FDSACWOJNYPFDU-MRXNPFEDSA-N 332.469 3.900 10 40 EHCB CCc1ccccc1N1C(=O)/C(=C/c2cccn2C)SC1=S 6710616 SAPZPPTVWBIXOB-PTNGSMBKSA-N 328.462 3.993 10 40 EHCB CC(C)OC(=O)c1sc2nc3c(cc2c1N)C(=O)CC(C)(C)C3 6884087 YJIOWWIOXHOAJD-UHFFFAOYSA-N 332.425 3.599 10 40 EHCB CCc1ccc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc1 9188338 JFFKZDYXRUSXRQ-QTNMRXCUSA-N 333.478 3.629 10 40 EHCB COc1ccc([N+](=O)[O-])cc1/C=C1/C=C(c2ccc(C)cc2)OC1=O 4743232 ULWMAXSPRGTFBP-DHDCSXOGSA-N 337.331 3.893 10 40 EHCB Cc1ccc(NC2=NC(=O)/C(=C/c3c(C)n[nH]c3C)S2)c(C)c1 40114076 BEVXCIQGQVZWMC-NVNXTCNLSA-N 326.425 3.726 10 40 EHCB CC(C)Oc1cccc(NC(=S)NCCN(C)c2ccccc2)c1 225571985 PRGIVBAFYJRZFI-UHFFFAOYSA-N 343.496 3.897 10 40 EHCB CCOc1cc(/C=C2\C=C(c3ccc(OC)cc3)OC2=O)ccc1O 1686900 CYIBQEWBZXZIKY-XNTDXEJSSA-N 338.359 3.781 10 40 EHCB O=C1/C(=C/c2ccc(O)cc2)SC(=S)N1Cc1ccccc1 1233137 QUYCETSYSJOKIN-GDNBJRDFSA-N 327.430 3.794 10 40 EHCB O=C1N=C(O)/C(=C/c2c[nH]c3ccccc23)C(=O)N1c1ccc(F)cc1 9058715 JUROALIXSCBFKT-DHDCSXOGSA-N 349.321 3.814 10 40 EHCB Oc1ccc(Cl)cc1CN1CCN(C/C=C/c2ccccc2)CC1 22579054 RXGURCUANJMKCF-QPJJXVBHSA-N 342.870 3.877 10 40 EHCB CC[C@@H](CCO)CNC(=O)c1cc(C)n(-c2ccccc2C)c1C 75110950 UAGDIFWDWJWBBH-KRWDZBQOSA-N 328.456 3.541 10 40 EHCB CCC[C@H](C(=O)O)N1C(=O)/C(=C/C=C/c2ccccc2)SC1=S 5374257 UIHVDCQXXAMGEM-LHXJLMLFSA-N 347.461 3.697 10 40 EHCB CN(C)c1ccc(CN2CCOC[C@H]2c2nc(C(C)(C)C)co2)cc1 96296227 YFBNCAYKUNTUCR-KRWDZBQOSA-N 343.471 3.612 10 40 EHCB biogenic,in-vitro O=C1c2ccccc2N[C@@H](c2cccc(O)c2O)N1Cc1ccccc1 7884111 CYFZRPIWYOKQLJ-HXUWFJFHSA-N 346.386 3.865 10 40 EHCB O=S(=O)(O)c1ccc(/N=N\c2ccc(O)c3ncccc23)cc1 17322476 JIAGGSRRAAHALT-ZCXUNETKSA-N 329.337 3.603 10 40 EHCB O=C1/C(=C/c2cccc(F)c2)C(O)=NC(=S)N1c1ccccc1F 59135979 DXGHWFINKYGXOS-FMIVXFBMSA-N 344.342 3.636 10 40 EHCB O=C1/C(=C/c2ccccc2)SC(=S)N1C(=O)c1ccc(F)cc1 17918365 BDKBDKPYWWPGDZ-UVTDQMKNSA-N 343.404 3.867 10 40 EHCB Cc1ccn2c3c(c(C(=O)OC(C)C)c2c1)C(=O)c1ccccc1C3=O 2694685 WJMQRRBYCNLMNP-UHFFFAOYSA-N 347.370 3.588 10 40 EHCB biogenic Cc1c(/N=N/c2ccc(N(C)C)cc2)c(=O)n(-c2ccccc2)n1C 13151852 RYZZYWRGQJBHQF-QZQOTICOSA-N 335.411 3.966 10 40 EHCB Cc1cc(/C=C2\SC(=S)N(C)C2=O)c(C)n1-c1cccc(O)c1 13539835 OOKBNDKJSKBKTB-NVNXTCNLSA-N 344.461 3.631 10 40 EHCB CCCn1cc(/C=C2/C(=O)N(CC)C(=S)N=C2O)c2ccccc21 17250170 KVVKEDNANDGFDB-GXDHUFHOSA-N 341.436 3.538 10 40 EHCB Cc1c(Cl)ccc(S(=O)(=O)Nc2ccc(O)cc2)c1Cl 41105577 LFSAUAURLRXHCE-UHFFFAOYSA-N 332.208 3.808 10 40 EHCB COc1ccc(N2N=C(C)/C(=C(\C)Nc3ncccc3C)C2=O)cc1 112112037 SDQXYTZRUQPAQN-LGMDPLHJSA-N 336.395 3.507 10 40 EHCB COC(=O)C1=C(C)N(C)C(=O)/C1=C\c1cccc(Oc2ccccc2)c1 573206 YZNHTZDVMCVLAN-AQTBWJFISA-N 349.386 3.781 10 40 EHCB COc1ccc(N2C(=O)/C(=C\c3ccco3)SC2=S)c(OC)c1 4745657 CBDLNARJAWVOKC-NTEUORMPSA-N 347.417 3.703 10 40 EHCB O=C1N=C(NC(=O)c2ccccc2)S/C1=C\c1ccc(Cl)cc1 409130568 WLAMCWBCSGGPNO-UVTDQMKNSA-N 342.807 3.740 10 40 EHCB COc1ccc(N2C(=O)/C(=C\c3ccc(O)cc3)SC2=S)cc1 59502986 XPGQYJDPWGRSSM-XNTDXEJSSA-N 343.429 3.807 10 40 EHCB CCN(CC)c1ccc(CNC(=O)[C@@H](C)c2c(C)noc2C)cc1F 66841629 KFENOLVWOGSEDN-LBPRGKRZSA-N 347.434 3.697 10 40 EHCB Cc1ccc(NC(=S)NCCCN2CCc3ccccc32)cc1 225558416 DBRPBRLLBOQLRW-UHFFFAOYSA-N 325.481 3.734 10 40 EHCB CN1N=C(C(F)(F)F)/C(=C/Nc2cc(Cl)cc(Cl)c2)C1=O 100271377 OIIJVIQCADYCHO-UITAMQMPSA-N 338.116 3.680 10 40 EHCB CC1=NNC(=O)/C1=C/c1ccc(-c2ccc(Br)cc2)o1 100871523 HTJCXNSMYSGJKY-MDWZMJQESA-N 331.169 3.598 10 40 EHCB CCCOc1ccc(/C=C2/C(=O)N(C(=O)c3ccccc3)N=C2C)cc1 408940074 NMQVYQJSHBEKKW-XMHGGMMESA-N 348.402 3.917 10 40 EHCB CCN1C(=O)/C(=C2/Sc3ccc(Cl)cc3N2C)SC1=S 13475702 FQDBCYFSZSZRBG-BENRWUELSA-N 342.898 3.931 10 40 EHCB CCOc1ccccc1NC(=S)NCCN(C)c1ccc(C)cc1 225795230 XHVJPWFHBVBCFU-UHFFFAOYSA-N 343.496 3.817 10 40 EHCB CN(C)c1ccc([C@H]2C[C@H](c3cccs3)Nc3ncnn32)cc1 80798 OLEVJJXTKBJNDN-HUUCEWRRSA-N 325.441 3.552 10 40 EHCB CN(Cc1c(O)ccc2c3c(c(=O)oc12)CCC3)C1CCCCC1 122763 HDKILBAFQRHTBS-UHFFFAOYSA-N 327.424 3.752 10 40 EHCB CCCCOc1ccc(/C=C2/SC(=S)N(C)C2=O)cc1OC 298657282 DAJMVUPMAOTBNR-GXDHUFHOSA-N 337.466 3.705 10 40 EHCB CCOc1ccccc1N1C(=O)/C(=C/c2ccc[nH]2)SC1=S 5374642 KGEKQWLOMVPIQY-UVTDQMKNSA-N 330.434 3.819 10 40 EHCB CCCN/C=C1/C(=O)N(c2nc3ccccc3s2)N=C1CCC 100429111 GGMGPKZLMUJTOL-VAWYXSNFSA-N 328.441 3.683 10 40 EHCB CN(C)Cc1cc2c(cc1O)CC[C@@H]1[C@@H]3CCC(=O)[C@]3(C)CC[C@@H]21 33916351 YNMRNQIMMPMNCA-JIYIMXKPSA-N 327.468 3.879 10 40 EHCB COc1ccc(NC(=O)c2cc(C)n(-c3ccccc3F)c2C)cn1 40050163 AUERGVDEDDUWTM-UHFFFAOYSA-N 339.370 3.889 10 40 EHCB COc1ccc(N2CCN(c3ccc(Cl)cc3[N+](=O)[O-])CC2)cc1 5836143 IPCBGWWQZSRDSN-UHFFFAOYSA-N 347.802 3.583 10 40 EHCB C[C@H](CCc1ccccc1)NC(=O)N(C)Cc1ccc(N(C)C)cc1 17116308 FQHOJRGGRJZTQQ-QGZVFWFLSA-N 339.483 3.915 10 40 EHCB C[C@H](c1cccc([N+](=O)[O-])c1)N1CCOc2cc(N(C)C)ccc21 89905355 HBKNIKQOHCQNER-CYBMUJFWSA-N 327.384 3.621 10 40 EHCB O[C@@]1(c2ccccc2)CCN(Cc2ccc(N3CCCC3)c(F)c2)C1 12241266 QLWAQEKGPVBMCK-NRFANRHFSA-N 340.442 3.519 10 40 EHCB COc1ccccc1/C=C1\SC(=S)N(Nc2ccccc2)C1=O 13769303 XUMMMWMWBPLJCH-PTNGSMBKSA-N 342.445 3.924 10 40 EHCB COc1ccc(-c2n[nH]c(C(F)(F)F)c2/N=N/N(C)C)cc1OC 18085051 ZJVJCEUJDXJKSQ-XUTLUUPISA-N 343.309 3.673 10 40 EHCB CC[C@H](C)N1C(=O)/C(=C/Nc2ccc(C(C)C)cc2)C(=O)N=C1S 103126167 ZPLFBQVTNPVFLV-XBUHWIKASA-N 345.468 3.559 10 40 EHCB CCCC1=NN(c2ccccc2)C(=O)/C1=C(/C)NCc1cccnc1 103918091 AMAQUOLIMDMWNH-CYVLTUHYSA-N 334.423 3.648 10 40 EHCB Cc1cnc(N2C(=O)[C@H](C)S[C@@H]2c2ccc(N(C)C)cc2)s1 19927681 VQRFFTGSCRYXFF-XHDPSFHLSA-N 333.482 3.685 10 40 EHCB COc1ccc(-c2ccc(CCC(=O)O)n2-c2cccc(O)c2)cc1 31871 RNRFGTPQENBEFF-UHFFFAOYSA-N 337.375 3.876 10 40 EHCB CC[C@H](C(=O)O)N1C(=O)/C(=C\C(C)=C\c2ccccc2)SC1=S 6355982 KJENGCMUGBOVLB-JMMZPACASA-N 347.461 3.697 10 40 EHCB O=C1/C(=C/c2ccccc2O)SC(=S)N1c1cccc(F)c1 408973948 RCOJRJZIHRHYBQ-ZSOIEALJSA-N 331.393 3.937 10 40 EHCB O=C(O)CCCCCN1C(=O)/C(=C/[C@@H]2CC=CCC2)SC1=S 2687973 FQDCUPGGABZIJU-NPRUJURCSA-N 339.482 3.732 10 40 EHCB O=C1/C(=C/c2c[nH]c3ccccc23)SC(=S)N1c1cccnc1 23230575 VNMNBEMENCYJOS-NVNXTCNLSA-N 337.429 3.969 10 40 EHCB O=C1N=C(Nc2ccccc2)S/C1=C\c1cccc2c1OCCO2 54802107 CBHQYRXMFRANGQ-PTNGSMBKSA-N 338.388 3.540 10 40 EHCB O=C1NC(=S)S[C@@H]1C(Cc1ccccc1)Cc1ccccc1 4990943 CDRZMNUYJSROTM-MRXNPFEDSA-N 327.474 3.605 10 40 EHCB CCCC[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc(C)cc2)SC1=S 5371180 NXCIWMCRIVRHEV-JFBXQDQPSA-N 349.477 3.840 10 40 EHCB O=C1/C(=C/C=C/c2ccco2)C(O)=NC(=S)N1c1ccccc1F 59135964 NOBXQTRHUAHOBF-PPRDQHCASA-N 342.351 3.647 10 40 EHCB CN(C)c1ccc(/C=C2/SC(N3CCCCCC3)=NC2=O)cc1 88732 NBBZXWJMRKQULS-DTQAZKPQSA-N 329.469 3.599 10 40 EHCB COc1ccc(N2CCN(c3ncc(Cl)cc3Cl)CC2)cc1 25638673 TXIRMQCMEVQHSJ-UHFFFAOYSA-N 338.238 3.724 10 40 EHCB COC(=O)c1cccc2c1N[C@H](c1ccc(C(=O)O)cc1)[C@@H]1CC=C[C@H]21 94357 AWLTWPHKRLCZJX-HDMKZQKVSA-N 349.386 3.998 10 40 EHCB O=C1/C(=C/c2ccccc2F)C(O)=NC(=S)N1c1ccccc1F 59135976 FWMGLLGOMYEJOP-PKNBQFBNSA-N 344.342 3.636 10 40 EHCB CCN(CC)c1ccc(/C=C2\NC(=O)N(c3ccccc3)C2=O)cc1 14009486 AVBLEQIAZGVXDA-JXAWBTAJSA-N 335.407 3.630 10 40 EHCB O=C1/C(=C\c2cccs2)C(O)=NC(=S)N1c1ccc(F)cc1 1252573 KYGARRWPJBIUGI-WQLSENKSSA-N 332.381 3.559 10 40 EHCB CCN(CC)c1ccc(CNC(=O)[C@H](C)Oc2ccccc2)cc1 225661408 AGTSDVGGZNNSMV-INIZCTEOSA-N 326.440 3.617 10 40 EHCB CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc2c(c1)OCO2 13603078 NGZZHPSKKWCJJE-NVNXTCNLSA-N 340.766 3.875 10 40 EHCB O=C1/C(=C\c2cccc(O)c2)SC(=S)N1Cc1ccccc1 5002559 FQAVMUGOZJXNBR-XNTDXEJSSA-N 327.430 3.794 10 40 EHCB COc1cc(C)c([C@@H](C)NCc2cccc(OC)c2O)cc1OC 78394092 KTDXNBKHKPDTKJ-CYBMUJFWSA-N 331.412 3.577 10 40 EHCB CCn1c(-c2ccc(C)cc2)cnc1SCC(=O)N1CCCCC1 44085636 CAOJIUGCGZCXBT-UHFFFAOYSA-N 343.496 3.983 10 40 EHCB Cc1ccc(-n2c(C)cc(/C=C/C(=O)NC[C@@H]3CCCO3)c2C)cc1 25704973 YAQDRYHGMWKDID-ZBWUASRJSA-N 338.451 3.711 10 40 EHCB O=[N+]([O-])c1cccc(Cl)c1[C@@H]1NN=C(c2ccccc2O)S1 59366483 HWINWNCFEDAYJY-CQSZACIVSA-N 335.772 3.651 10 40 EHCB CC1=NN(C(=O)Cc2ccccc2)C(=O)/C1=C/C=C\c1ccccc1 17218471 ZCLSHQBPZSFVRO-DAUMOXEHSA-N 330.387 3.614 10 40 EHCB Cc1nn(C)c(C)c1[C@H](C)NCc1cc(Cl)cc(Cl)c1O 71857582 YYLZJIBTEXABMV-QMMMGPOBSA-N 328.243 3.900 10 40 EHCB Oc1c([C@@H](Nc2ccccn2)c2cccnc2)ccc2cccnc12 85584344 GQODCZOMDGLLAB-SFHVURJKSA-N 328.375 3.932 10 40 EHCB O=C1[C@@H](/N=N/c2ccc([N+](=O)[O-])cc2)Sc2nc3ccccc3n21 103877804 SXVZQUTWJZBFBE-BZSIDJSBSA-N 339.336 3.800 10 40 EHCB Nc1nn2c(=O)c3c([nH]c2c1/N=N/c1cccc(Cl)c1)CCCC3 4649610 PGHYUTLTNRIKFS-QZQOTICOSA-N 342.790 3.552 10 40 EHCB Cc1ccc(/C=C2/SC(=S)N(c3ccc(C(=O)O)cc3)C2=O)o1 5371024 PXCSNQNHWZLQOR-MDWZMJQESA-N 345.401 3.692 10 40 EHCB CN(C)c1ccc(/C=C2\N=C(c3ccc(Cl)cc3)OC2=O)cc1 70712 VDRXBWYJNSWGDR-WJDWOHSUSA-N 326.783 3.751 10 40 EHCB CN(Cc1ccc(C(F)(F)F)cc1)Cc1cc2c(cc1O)OCO2 6209185 SPLXOKOOXGAHON-UHFFFAOYSA-N 339.313 3.772 10 40 EHCB O=C(NCc1ccccc1O)c1ccc2c(c1)C(=O)c1ccccc1-2 84504920 ZFWMKIXRGOWEFH-UHFFFAOYSA-N 329.355 3.534 10 40 EHCB CC(C)Cn1c(-c2ccc(F)cc2)cnc1SCC(=O)NC1CC1 8710100 IBJZCBOOFJTGKA-UHFFFAOYSA-N 347.459 3.716 10 40 EHCB Oc1cc2c(cc1CN1CCN(c3cccc(Cl)c3)CC1)CCC2 12637575 YECRDKMENGZXBP-UHFFFAOYSA-N 342.870 3.857 10 40 EHCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(-c2ccccc2)cc1 59925549 XUPIXVWQAXKFBI-HKWRFOASSA-N 340.382 3.815 10 40 EHCB COc1ccc(N2N=C(C)/C(=C(\C)NCc3cccs3)C2=O)cc1 103916417 XWLGMZDZMPQTJM-ATVHPVEESA-N 341.436 3.543 10 40 EHCB CCN(CC)c1ccc(CNC(=O)COc2cccc(C)c2C)cc1 223983403 VCPVPDDRBVULMY-UHFFFAOYSA-N 340.467 3.845 10 40 EHCB Cc1ccc(S(=O)(=O)Nc2cc(C)c(O)c(Cl)c2C)cc1 65392 STNDZYUKRMECAX-UHFFFAOYSA-N 325.817 3.772 10 40 EHCB O=C(CSCc1ccccc1)NCc1ccc(N2CCCC2)cc1 10113490 RSYOJYKMLNBNPM-UHFFFAOYSA-N 340.492 3.836 10 40 EHCB C[C@H]1CN(Cc2c(O)ccc3cc(Br)ccc23)CCO1 13007990 HIHAHAGJWODOQN-NSHDSACASA-N 336.229 3.529 10 40 EHCB CCCN(Cc1ccccc1O)C(=O)Nc1cc(OC)cc(OC)c1 69973305 CVLGLSATIWFGJB-UHFFFAOYSA-N 344.411 3.854 10 40 EHCB CC(=O)c1ccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)o1 1235710 VLTUHVWFADUOJZ-NTEUORMPSA-N 329.402 3.888 10 40 EHCB CNC(=S)Nc1ccc(-n2c(C)cc3c2CC(C)(C)CC3=O)cc1 2561622 YXESMEFAXRSECX-UHFFFAOYSA-N 341.480 3.857 10 40 EHCB CC[C@@H](C)N1C(=O)c2ccccc2N[C@H]1c1cccc(OC)c1O 7885513 TXPMDZIDOUHKGS-KZULUSFZSA-N 326.396 3.766 10 40 EHCB CN(Cc1ccc2c(c1)OCCO2)Cc1c(O)ccc2ccccc12 12785012 UARDHAINVJRHSG-UHFFFAOYSA-N 335.403 3.949 10 40 EHCB COc1cccc(CN[C@H](c2ccc3c(c2)OCCO3)C(C)C)c1O 71792498 KUKRKDKGBRUDRI-IBGZPJMESA-N 343.423 3.659 10 40 EHCB O=C1/C(=C\c2ccco2)SC(=S)N1C(=O)c1ccc(Cl)cc1 6221971 KXZMJFOUIWZMCB-XYOKQWHBSA-N 349.820 3.975 10 40 EHCB O=C(NCc1ccccc1O)C1c2ccccc2Oc2ccccc21 84504781 MHPHUDNKFSSLGH-UHFFFAOYSA-N 331.371 3.946 10 40 EHCB CCOc1ccccc1NC(=S)NCCCN(C)c1ccccc1 16243527 IFLBDFQSCARXJT-UHFFFAOYSA-N 343.496 3.898 10 40 EHCB C[C@@H]1CCCCN1C1=NC(=O)/C(=C\c2ccc(N(C)C)cc2)S1 59475388 VQQRXJJCDPSZBF-MLDYKZIASA-N 329.469 3.597 10 40 EHCB Oc1ccccc1CN[C@H]1CCCc2c1cnn2Cc1ccccc1 69566362 HDFMBXRBPULTTP-IBGZPJMESA-N 333.435 3.804 10 40 EHCB CC1=NN(c2ccccc2)C(=O)/C1=C(/C)NCCc1ccc(F)cc1 103916065 NZQCJCUSUOIOCY-RGEXLXHISA-N 337.398 3.655 10 40 EHCB CCc1ccc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)s1 409090223 LJKQLUHCHCRACG-AAIQCTMTSA-N 339.507 3.691 10 40 EHCB CCOc1cccc(CN[C@H](C)c2ccc(-n3ccnc3)cc2)c1O 69517672 JFFZZJTYLKKFLX-OAHLLOKOSA-N 337.423 3.827 10 40 EHCB Cc1cc(/C=C2/SC(=S)N(C)C2=O)c(C)n1-c1ccccc1 4853717 DRCCKWBYYCMQNC-XNTDXEJSSA-N 328.462 3.925 10 40 EHCB c1ccc(-c2nonc2/N=N/Nc2nonc2-c2ccccc2)cc1 4997310 VINBBAQUIAOIET-UHFFFAOYSA-N 333.311 3.897 10 40 EHCB CCn1ncc(/C=C2/C(=O)N(c3ccccc3)N=C2c2ccco2)c1C 6490022 KUAWSCAGNDSWGQ-SFQUDFHCSA-N 346.390 3.639 10 40 EHCB Oc1cc2c(cc1O)[C@@H](c1cc3ccccc3nc1Cl)NCC2 16525703 HQDJBWRYONJURJ-KRWDZBQOSA-N 326.783 3.535 10 40 EHCB CN(C)c1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)o1 408969499 OUSWCKINTVYUKV-RAXLEYEMSA-N 349.312 3.694 10 40 EHCB CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1ccc(O)cc1 408893279 LTSWJHYTSKHMMX-AQTBWJFISA-N 349.386 3.660 10 40 EHCB O=C1N=C(O)/C(=C\c2cccs2)C(=O)N1CCC1=CCCCC1 2290197 ZRBPFRLPQKSRGL-SDNWHVSQSA-N 330.409 3.941 10 40 EHCB O=C1c2ccc(-c3ccccc3)cc2C(=O)c2cc3c(cc21)OCO3 5759655 YQNJWDHVBOGSHV-UHFFFAOYSA-N 328.323 3.858 10 40 EHCB CC1=NN(c2ccc(C)cc2)C(=O)/C1=C\Nc1cc(C(=O)O)ccc1C 16292693 JZPVESJCNCKYNY-BOPFTXTBSA-N 349.390 3.720 10 40 EHCB CC1=CC(C)(C)N(C)c2ccc(/C=C3/SC(=O)N(C)C3=O)cc21 208448256 JZDVDFOKDCNTTJ-OQLLNIDSSA-N 328.437 3.984 10 40 EHCB O=C(c1ccccc1)C1CCN(Cc2cc3c(cc2O)CCC3)CC1 32888345 BIVIKZWWKCNDKW-UHFFFAOYSA-N 335.447 3.976 10 40 EHCB COc1ccc(N2C(=O)/C(=C\c3cccc(C)n3)SC2=S)cc1 113834935 FWHMZXPNSMVXCU-XNTDXEJSSA-N 342.445 3.804 10 40 EHCB CC(C)N1C(=O)S/C(=C\c2ccc(N3CCCC3)c(F)c2)C1=O 409071598 HLQDMVUPVTVPMU-GDNBJRDFSA-N 334.416 3.871 10 40 EHCB COC(=O)c1sc2nc(-c3ccco3)cc(C(F)(F)F)c2c1N 205398 NAZFGKQJEWMYFX-UHFFFAOYSA-N 342.298 3.944 10 40 EHCB Fc1ccc(NC(=S)NCc2ccc(N3CCCC3)cc2)cc1 225423508 PXYFKOBBMNQTPU-UHFFFAOYSA-N 329.444 3.913 10 40 EHCB Cc1cc(C(=O)Nc2cccnc2)c(C)n1-c1ccc2c(c1)OCCO2 28270102 XMMZWLLCFPEGHW-UHFFFAOYSA-N 349.390 3.513 10 40 EHCB CN(C)c1ccc(CNC(=O)[C@H]2CCCO[C@H]2c2ccccc2)cc1 40156169 YAAMZEPZCRRSNK-PMACEKPBSA-N 338.451 3.537 10 40 EHCB CCN1C(=O)/C(=C/c2ccc(Br)s2)SC1=S 33742020 LYAUCOOHUDTTHB-ALCCZGGFSA-N 334.285 3.732 10 40 EHCB CCOC(=O)CCCN1C(=O)/C(=C\c2ccc(C)cc2)SC1=S 5790879 PDEPVJVKHVLLNC-SDNWHVSQSA-N 349.477 3.540 10 40 EHCB O=C(OC1CCCCC1)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](C(=O)O)N2 13147308 ICOHVCVFOZOLOK-RKVPGOIHSA-N 341.407 3.715 10 40 EHCB CCOc1ccc(/C=C2\SC(N3CCCCCC3)=NC2=O)cc1 13547384 DMUKSFQGXLZDNU-SSZFMOIBSA-N 330.453 3.932 10 40 EHCB CC[C@H](C(=O)O)N1C(=O)/C(=C/C(C)=C\c2ccccc2)SC1=S 32701795 KJENGCMUGBOVLB-DSSAPLJDSA-N 347.461 3.697 10 40 EHCB COc1cc(Br)cc(CNCc2cccs2)c1O 69771103 JJPQSUTUVZEDOL-UHFFFAOYSA-N 328.231 3.515 10 40 EHCB CCN(CC)c1ccc(CNC(=O)CCc2ccc(OC)cc2)cc1 225319619 PGRJIZSBOSRROQ-UHFFFAOYSA-N 340.467 3.790 10 40 EHCB COC(=O)c1cccc2c1N[C@@H](c1ccc(C(=O)O)cc1)[C@H]1CC=C[C@@H]21 4172095 AWLTWPHKRLCZJX-VKJFTORMSA-N 349.386 3.998 10 40 EHCB Cc1cn2c(/C=C3\SC(NC4CCCC4)=NC3=O)c(C)nc2s1 58344369 OCSVTUSHYOMTOF-QPEQYQDCSA-N 346.481 3.515 10 40 EHCB COc1ccccc1N1C(=O)/C(=C\c2cccc(C)n2)SC1=S 409339225 SXDKUJZSBKPXQD-XNTDXEJSSA-N 342.445 3.804 10 40 EHCB CC(=O)c1ccc(N2C(=O)/C(=C/c3ccco3)SC2=S)cc1 6563191 RIEUBQJZVNUFPI-ZROIWOOFSA-N 329.402 3.888 10 40 EHCB CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1ccc2nccn2c1 68387518 LEWUTRAVYQWRED-UHFFFAOYSA-N 348.450 3.597 10 40 EHCB Cc1nc2n(n1)[C@H](c1ccc(N(C)C)cc1)C1=C(O)C[C@H](C)CC1=N2 102602552 ZGJXMEYFMYYBHM-ADLMAVQZSA-N 337.427 3.570 10 40 EHCB Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)Nc2nncs2)c1 21215783 KBWKABCWOOUXNP-UHFFFAOYSA-N 332.816 3.851 10 40 EHCB CCOC(=O)c1ccc(N/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1 5650691 VAKQMGPODKZNQB-QGOAFFKASA-N 349.390 3.582 10 40 EHCB CCN(CC)c1ccc(CN(C)C(=O)c2cccc([N+](=O)[O-])c2)cc1 9932422 IHUNDLUKUJZDTM-UHFFFAOYSA-N 341.411 3.713 10 40 EHCB C[C@@H]1Oc2ccccc2C=C1/C=C1/SC(Nc2ccccn2)=NC1=O 13691423 JRGLBLRFMOHYNE-JASJWYONSA-N 349.415 3.871 10 40 EHCB Cc1oc2c(CN(C)C)c(O)ccc2c(=O)c1Oc1ccc(F)cc1 19902462 VZPVXMUIIVDNFM-UHFFFAOYSA-N 343.354 3.800 10 40 EHCB CCN(CC)c1ccc(CNC(=O)Nc2cccc(OC)c2)cc1 225765169 YCXKIMLZHNUJCR-UHFFFAOYSA-N 327.428 3.863 10 40 EHCB CCOc1ccc(O)c(CN[C@@H](C)c2cccc(NC(C)=O)c2)c1 78394083 XUBDRVKSUNVUMI-ZDUSSCGKSA-N 328.412 3.600 10 40 EHCB CC1=NN(c2ccccc2)C(=O)/C1=C/C=C/c1ccccc1[N+](=O)[O-] 101421482 BYAJMWGQNVIFOI-DGRUYDBLSA-N 333.347 3.957 10 40 EHCB CC[C@H](C)N1C(=O)/C(=C\c2ccc(Cl)cc2)C(C(=O)OC)=C1C 409016296 TTYNREQMRBNNHC-SAIXKJTDSA-N 333.815 3.811 10 40 EHCB O=C1N=C(N2CCCC2)S/C1=C/c1cccc(Br)c1 64005 GPFYMPXJAKGHIU-FMIVXFBMSA-N 337.242 3.515 10 40 EHCB CC1=NN(c2ccc(C)cc2C)C(=O)/C1=C\c1ccc([N+](=O)[O-])o1 5961310 XQXMCOYUEBINSR-ZROIWOOFSA-N 325.324 3.611 10 40 EHCB C[C@@H]1CCC[C@@H](C)N1Cc1cc2c3c(c(=O)oc2cc1O)CCC3 6078286 RKUHDQVHEZHFQE-CHWSQXEVSA-N 327.424 3.750 10 40 EHCB CC1=NN(Cc2ccccc2Cl)C(=O)/C1=C\c1ccc([N+](=O)[O-])o1 408978165 YOFKPLFZYCEJBD-JYRVWZFOSA-N 345.742 3.643 10 40 EHCB CC1(C)c2ccccc2N2CC(=O)N[C@]21/C=C/c1c[nH]c2ccccc12 534972 WCUQBPHRWXOCRN-VDZCTEQFSA-N 343.430 3.805 10 40 EHCB Cc1ccc(-c2ccc(/C=C3/SC(=S)NC3=O)o2)cc1[N+](=O)[O-] 13546842 YYKNERZDMBFTSB-NTUHNPAUSA-N 346.389 3.652 10 40 EHCB COc1cccc(NC(=O)NCc2ccc(N3CCCC3)cc2)c1 42309420 XNEIJEKFAVEHCX-UHFFFAOYSA-N 325.412 3.617 10 40 EHCB Cc1ccc(OCC(=O)NCc2ccc(N3CCCCC3)cc2)cc1 62225487 GGCYHZPHADIBIA-UHFFFAOYSA-N 338.451 3.681 10 40 EHCB Cc1nc2n(n1)[C@@H](c1ccc(N(C)C)cc1)C1=C(O)C[C@H](C)CC1=N2 102602555 ZGJXMEYFMYYBHM-ZMZPIMSZSA-N 337.427 3.570 10 40 EHCB O=C(C[C@H]1C[C@H]2CC[C@H]1C2)NCc1ccc(N2CCSCC2)cc1 106528430 HRMBLPOOVLZEIM-OKZBNKHCSA-N 344.524 3.682 10 40 EHCB Cc1cc(O)ccc1NS(=O)(=O)c1ccc2c3c(cccc13)CC2 226861338 DRUOGYMYYHKWRI-UHFFFAOYSA-N 339.416 3.753 10 40 EHCB O=C1NC(=S)S/C1=C\c1ccccc1OCc1cccc(F)c1 408533524 YVDZMWCGVSHMJD-DHDCSXOGSA-N 345.420 3.894 10 40 EHCB O=C(O)CC1(c2cccc3ccccc23)C(=O)c2ccccc2C1=O 348437 NUMXUAYQQJVRIH-UHFFFAOYSA-N 330.339 3.632 10 40 EHCB COc1ccc(N2COc3ccc4c(C)c(C)c(=O)oc4c3C2)cc1 2116842 AOWKGDHKRCFDLE-UHFFFAOYSA-N 337.375 3.775 10 40 EHCB biogenic Cc1c(Cl)cccc1NC(=O)[C@]12CC[C@](C)(C(=O)C1=O)C2(C)C 5307537 COMNFOBKYUYLFR-MSOLQXFVSA-N 333.815 3.551 10 40 EHCB Cc1nsc(C)c1C(=O)N(C)Cc1ccc(N2CCCC2)cc1 1124623810 YKLNJZOIZWIKDN-UHFFFAOYSA-N 329.469 3.632 10 40 EHCB O=C1/C(=C/c2ccc(O)c(O)c2)SC(=S)N1c1ccc(F)cc1 2942528 XXRMBLQUJNUNKQ-ZSOIEALJSA-N 347.392 3.643 10 40 EHCB C[C@H](c1ccccc1)N1C(=O)/C(=C/c2cccn2C)SC1=S 5374418 ANBZOOLPSTXZDH-QJMZJAKPSA-N 328.462 3.988 10 40 EHCB COc1ccc(/C=C2\C=C(c3ccc(F)cc3)OC2=O)c(OC)c1 409053044 JMTWEXRTIHEYDA-NTEUORMPSA-N 326.323 3.824 10 40 EHCB Oc1c([C@@H](Nc2nccs2)c2cccnc2)ccc2cccnc12 1106305 GRQALDDEXYEUFH-HNNXBMFYSA-N 334.404 3.993 10 40 EHCB Cc1cc(C(=O)CSc2ncccn2)c(C)n1-c1cccc(F)c1 3474898 GQIORGDPAKCSGV-UHFFFAOYSA-N 341.411 3.998 10 40 EHCB CC(=O)Nc1ccc(Nc2nc(-c3ccc(O)c(O)c3)cs2)cc1 472790 ADWJFQWQDORMDR-UHFFFAOYSA-N 341.392 3.923 10 40 EHCB Cc1cc(C(C)(C)C)cc(CN2CCN(c3ccccn3)CC2)c1O 23702571 DHKSXCDPTDAEAQ-UHFFFAOYSA-N 339.483 3.715 10 40 EHCB Cc1cccc(-n2c(C)cc(C(=O)CSc3nc(C)n[nH]3)c2C)c1 44030807 PARUOUMNSPBOJS-UHFFFAOYSA-N 340.452 3.804 10 40 EHCB C[C@H]1[C@@H](c2ccccc2)O[C@H](c2ccc(N3CCOCC3)cc2)N1C 78547139 GPVLWMWZMUZIJB-ORYQWCPZSA-N 338.451 3.614 10 40 EHCB Cc1c(Cl)cccc1NC(=O)[C@@]12CC[C@@](C)(C(=O)C1=O)C2(C)C 5307539 COMNFOBKYUYLFR-ZWKOTPCHSA-N 333.815 3.551 10 40 EHCB O=C(O)c1cccc(N2C(=O)/C(=C\c3cccs3)SC2=S)c1 5410477 ISNNRBPUTBOXIU-XYOKQWHBSA-N 347.442 3.852 10 40 EHCB O=C1N=C(Nc2ccccc2C(=O)O)S/C1=C\c1cccs1 6615608 DGOMBAYLOIABLM-WQLSENKSSA-N 330.390 3.529 10 40 EHCB CCCNC(=S)N(Cc1ccccc1O)c1ccc(OC)cc1 20988133 VLZDLAYIYQFDHS-UHFFFAOYSA-N 330.453 3.692 10 40 EHCB Cc1c(Cl)cccc1NC(=O)c1cn(Cc2ccc(N)cc2)cn1 71775350 JRXMNQKNSKVKRA-UHFFFAOYSA-N 340.814 3.728 10 40 EHCB CN(Cc1nc2c(s1)CCCC2)Cc1c(O)ccc2ccncc12 83115152 HEWHVACGVQKHSY-UHFFFAOYSA-N 339.464 3.908 10 40 EHCB O=C1N=C(NC2CCCCC2)S/C1=C/c1ccc(O)c(Cl)c1 96134085 BVPYROYPHLNTMZ-NTEUORMPSA-N 336.844 3.938 10 40 EHCB CCN1CCS/C1=C\C=C1\SC(=S)N(c2ccccc2)C1=O 4579121 PZZPIUNFPIPITO-MGDWIPCISA-N 348.518 3.845 10 40 EHCB O=C1N=C(Nc2ccccc2F)S/C1=C/c1ccc(C(=O)O)cc1 16905188 SYCKPHBALHXMIR-NTEUORMPSA-N 342.351 3.606 10 40 EHCB O=[N+]([O-])c1cccc(Cl)c1[C@H]1NN=C(c2ccccc2O)S1 59366482 HWINWNCFEDAYJY-AWEZNQCLSA-N 335.772 3.651 10 40 EHCB Cc1ccc(/C=C2/SC(=S)N(Cc3cccnc3)C2=O)cc1 1255230 DXKCXABMMXDZMN-OQLLNIDSSA-N 326.446 3.791 10 40 EHCB CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C/Nc1cccc(O)c1 101141459 BWTURFPXSRCRLF-MHWRWJLKSA-N 327.771 3.764 10 40 EHCB Cc1ccc(NCc2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c(C)c1 216737080 RGRQWSQSNVVZPY-UHFFFAOYSA-N 341.411 3.660 10 40 EHCB O=C(c1cccs1)N1N=C(c2ccncc2)C[C@H]1c1ccccc1O 6227188 YFAKTJFYONNTDS-INIZCTEOSA-N 349.415 3.840 10 40 EHCB O=S(=O)(O)c1cccc(/N=N\c2ccc3c(O)cccc3c2O)c1 39945197 UWKRNTUZFVYPLZ-ZCXUNETKSA-N 344.348 3.913 10 40 EHCB CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C\Nc1ccc(C(=O)O)cc1 100922828 SKFPAKKXKSTCIR-WQRHYEAKSA-N 349.390 3.720 10 40 EHCB COc1cc(Nc2ccccc2)c2c(c1N)C(=O)c1ccccc1C2=O 4365831 XUWMGNPWAPODQF-UHFFFAOYSA-N 344.370 3.796 10 40 EHCB COc1cccc(/C=C2\SC(Nc3cccc(C)c3)=NC2=O)c1O 7163869 VFCFNPHCXGFNPM-GDNBJRDFSA-N 340.404 3.792 10 40 EHCB COc1ccc(NC2=NC(=O)/C(=C\c3cccc(F)c3)S2)cc1 16440252 BLZPIRRNROZKIK-XNTDXEJSSA-N 328.368 3.917 10 40 EHCB Oc1cc(CNCc2ccccc2)c(O)c(CNCc2ccccc2)c1 1594715 BYIQYSACADWRSF-UHFFFAOYSA-N 348.446 3.677 10 40 EHCB CC1=NN(c2ccccc2)C(=O)/C1=C\c1cc2cccc(C)c2[nH]c1=O 22078828 FZVJUFYIQPPMQC-PDGQHHTCSA-N 343.386 3.643 10 40 EHCB Cc1nnc(NC(=O)/C=C/c2cc(C)n(-c3ccccc3)c2C)s1 32722062 MXBSOVJOXBZIQU-MDZDMXLPSA-N 338.436 3.906 10 40 EHCB CC1(C)[C@]2(C)CC[C@]1(C(=O)Oc1cccc3ccccc13)C(=O)C2=O 100260063 TUXHJAYAJVLVRS-NHCUHLMSSA-N 336.387 3.710 10 40 EHCB Cc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc(C(C)C)cc2)C1=O 2909641 XITNSXOGLHXIML-LDADJPATSA-N 348.402 3.785 10 40 EHCB Cc1cc(C2=NN=C(NC3CC3)SC2)c(C)n1-c1ccccc1F 5861414 XYQOHLSKJGPUEZ-UHFFFAOYSA-N 342.443 3.792 10 40 EHCB aggregator Cc1ccc(/C=C2/SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)o1 6846580 MZYNZLJSVCRDAZ-MDWZMJQESA-N 346.389 3.902 10 40 EHCB CCN1C(=O)/C(=C/c2cc(C)n(-c3ccncc3)c2C)SC1=S 33775822 RCFBFIOKPHETTJ-GDNBJRDFSA-N 343.477 3.710 10 40 EHCB COc1ccc(/C=C2/SC(N3CCCC[C@H]3C)=NC2=O)cc1OC 59475386 PLJZSSGEIGOXSF-PILJQMSFSA-N 346.452 3.549 10 40 EHCB Cc1ccc(/C=C2\C(=O)N(c3cccc(Cl)c3)C(=O)N=C2O)o1 1834379 OULBZXOVSXVVQR-JYRVWZFOSA-N 330.727 3.748 10 40 EHCB CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C\Nc1cccc(O)c1 16160830 BWTURFPXSRCRLF-YBEGLDIGSA-N 327.771 3.764 10 40 EHCB COc1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2C)c(OC)c1C 408960926 JOCZYDHIYRVBCC-ATVHPVEESA-N 336.391 3.818 10 40 EHCB O=C1OC2(CCCC2)OC(=O)C1=Cc1ccc(Cl)cc1Cl 242002 YZUZXYYHHNSMKU-UHFFFAOYSA-N 327.163 3.747 10 40 EHCB COC(=O)c1ccc([C@H]2Nc3ccc(C(=O)O)cc3[C@H]3C=CC[C@@H]32)cc1 1461846 QNNQRBONDFMTCC-TXPKVOOTSA-N 349.386 3.998 10 40 EHCB O=C1/C(=C\Nc2ccccc2)SC(=S)N1c1ccc(O)cc1 4109179 DDPRSKGVKKJKCC-GXDHUFHOSA-N 328.418 3.710 10 40 EHCB Cc1cccc(NC2=NC(=O)/C(=C\c3cccc([N+](=O)[O-])c3)S2)c1 13141394 NTSNKNOBJQCPBL-XNTDXEJSSA-N 339.376 3.986 10 40 EHCB Cc1ccc(Cl)cc1NC(=O)NCc1cc([N+](=O)[O-])ccc1O 43357367 SSPZQEORRVYSGE-UHFFFAOYSA-N 335.747 3.584 10 40 EHCB O=C1[C@H](/N=N/c2ccc([N+](=O)[O-])cc2)Sc2nc3ccccc3n21 103877797 SXVZQUTWJZBFBE-OYLHUBKDSA-N 339.336 3.800 10 40 EHCB CCc1nnc(NC(=O)c2ccc(-n3c(C)ccc3C)cc2)s1 3405364 YEMZIXKGVDEQKX-UHFFFAOYSA-N 326.425 3.760 10 40 EHCB CCN1C(=O)/C(=C\c2ccc(Br)s2)SC1=S 21274451 LYAUCOOHUDTTHB-FNORWQNLSA-N 334.285 3.732 10 40 EHCB Cc1nc2ncnc(N3CC=C(c4c[nH]c5cccc(C)c45)CC3)c2[nH]1 41123952 CAPHHOWEEOGBQG-UHFFFAOYSA-N 344.422 3.745 10 40 EHCB CCN(CC)c1ccc(CNC(=O)c2cccc([N+](=O)[O-])c2C)cc1 224191148 IWNZAXKNWWRHIP-UHFFFAOYSA-N 341.411 3.679 10 40 EHCB COc1ccc(O)c([C@H](C)NCc2c(C)nc3sc(C)cn23)c1 585140866 KFYSVAVNVVLDGH-NSHDSACASA-N 331.441 3.578 10 40 EHCB CCN1CCc2c(sc3c2C(O)=N[C@@H](c2cc(C)ccc2O)N3)C1 4556440 SKSDIZIZXPZAPR-MRXNPFEDSA-N 343.452 3.569 10 40 EHCB COc1ccc(/C=C/C(=O)NCc2ccc(N3CCCC3)cc2)cc1 10113481 NTZFODMDJIHUIQ-MDWZMJQESA-N 336.435 3.625 10 40 EHCB Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NC[C@@H]2CCCO2)c1 12824081 KORFJUYADYWTPN-HNNXBMFYSA-N 332.831 3.656 10 40 EHCB COc1ccc(NC2=NC(=O)/C(=C\c3ccccc3)S2)c(OC)c1 35042436 CBXGFJRHSDUFDM-MHWRWJLKSA-N 340.404 3.786 10 40 EHCB CN1C(=O)/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)SC1=S 1013921 UHRHLJWZNNPWQE-JYRVWZFOSA-N 346.389 3.686 10 40 EHCB CC(C)Oc1ccc(CNC(=O)N(C)Cc2ccccc2O)cc1F 75133505 QWOFTDSYOHKMNY-UHFFFAOYSA-N 346.402 3.660 10 40 EHCB CCCN1C(=O)S/C(=C/c2cc(C)n(-c3ccccn3)c2C)C1=O 409236507 SMHTWBULGFEKRH-RVDMUPIBSA-N 341.436 3.935 10 40 EHCB O=C1c2ccccc2C(=O)C1(C[n+]1ccccc1)c1ccc(Cl)cc1 3101777 YXDUZRMNBOVPSU-UHFFFAOYSA-N 348.809 3.645 10 40 EHCB CCOc1ccc(N(C)Cc2cc3ccc(OC)cc3[nH]c2=O)cc1 13561586 ZRDQNPLYLXTUCR-UHFFFAOYSA-N 338.407 3.572 10 40 EHCB Oc1c([C@@H](c2ccc(F)cc2)N2CCOCC2)ccc2cccnc12 19902438 WUUASRHRNXRJTE-LJQANCHMSA-N 338.382 3.501 10 40 EHCB COc1ccccc1N/C=C1/SC(=S)N(C2CCCC2)C1=O 102985124 QNBPKUOPKLRCLC-GXDHUFHOSA-N 334.466 3.751 10 40 EHCB Cc1ccc(-n2cccc2/C=C2/SC(=S)NC2=O)cc1Cl 409015466 RFHGPDARBWEUOO-MDWZMJQESA-N 334.853 3.928 10 40 EHCB