smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CC(=O)Oc1cccc2c1C(=O)c1c(OC(C)=O)cc(C)cc1C2=O 4716480 HKDZNWKYILPDRP-UHFFFAOYSA-N 338.315 2.621 10 40 EFCB COc1ccc(N2CCN(C[C@@H](O)c3ccccc3F)CC2)cc1 75608185 JFRMFHPZXCPPCA-LJQANCHMSA-N 330.403 2.690 10 40 EFCB COc1cc2c(cc1O)[C@@H]1Cc3ccc(OC)c(O)c3[C@H](C2)N1C 31719343 PLGXEPHZCXBYLP-KBPBESRZSA-N 327.380 2.941 10 40 EFCB COC(=O)Cc1cc2c(n1-c1ccc(N)cc1)CC(C)(C)CC2=O 72221217 FIKRQPDHFSCYCQ-UHFFFAOYSA-N 326.396 2.930 10 40 EFCB Cn1c(SCC(=O)Nc2ccc(N)cc2)nnc1-c1cccs1 413651 GDBBVHIBHQRLCU-UHFFFAOYSA-N 345.453 2.857 10 40 EFCB O=C1CN(c2ccc(CNc3nc4ccccc4s3)cc2)CCN1 32923726 XGXMOHXHRGVZIV-UHFFFAOYSA-N 338.436 2.845 10 40 EFCB Oc1cc2c(cc1CN1CCO[C@@H](c3ccc(F)cc3)C1)OCO2 29894363 URLVYFOVSCPPDI-GOSISDBHSA-N 331.343 2.834 10 40 EFCB CN(Cc1ccc(N2CCOCC2)cc1)C[C@H](O)c1cccc(F)c1 69518825 MOQYVRCDXCRTDK-FQEVSTJZSA-N 344.430 2.828 10 40 EFCB N=C1/C(=C\c2cc(Cl)c(O)c(Cl)c2)C(=O)N=C2SC=NN12 4679973 OELCDKYLAZWTPD-HNTMTZMXSA-N 341.179 2.948 10 40 EFCB CN(c1ccc(CNC(=O)CCn2cncn2)cc1)C1CCCCC1 67299626 DWXFOUKHODQKGX-UHFFFAOYSA-N 341.459 2.754 10 40 EFCB COc1ccc(/C=C2/C(=N)N3C(SC)=NSC3=NC2=O)cc1 214059 XIRPTFAGBHLGOZ-DDADGOEASA-N 332.410 2.635 10 40 EFCB Cc1ccc(O[C@@H](C)C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cc1 96011703 LKJHPEXIXJUBAE-KBPBESRZSA-N 329.396 2.921 10 40 EFCB CC(C)OCCS(=O)(=O)Nc1cc(Cl)c(O)c(Cl)c1 95980385 MJONTQWRBPLOPA-UHFFFAOYSA-N 328.217 2.866 10 40 EFCB O=C1/C(=C/c2ccc3c(c2)OCO3)SC(=S)N1C[C@@H]1CCCO1 1188038 ZRZKNKDDQWCPRX-ODYDIQAQSA-N 349.433 2.796 10 40 EFCB CCOC(=O)CCN1C(=O)/C(=C/c2ccccc2F)SC1=S 4342379 XLWLFSSCZYJCSA-XFXZXTDPSA-N 339.413 2.980 10 40 EFCB Cc1cccc(N/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)c1 3894097 PYUSZIKCGINRMK-RVDMUPIBSA-N 335.363 2.882 10 40 EFCB Cc1n[nH]cc1CNCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 71819615 CMPQOCYJEOXQHU-BETUJISGSA-N 332.423 2.761 10 40 EFCB CC(C)n1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c2ccccc21 32193816 FQVRRDONASKOBD-UHFFFAOYSA-N 341.436 2.821 10 40 EFCB O=C(O)c1nc(/N=N/c2ccc(Br)cc2)[nH]c1C(=O)O 4350402 QJDQFMZJOGGXDD-FOCLMDBBSA-N 339.105 2.984 10 40 EFCB O=C1N=C(O)/C(=C\C=C\c2coc3ccc(Cl)cc3c2=O)C(=O)N1 16956225 PHYHFYLKCDMKRQ-OWOJBTEDSA-N 344.710 2.592 10 40 EFCB O=C(Cc1ccccc1)NN1C(=O)/C(=C/c2ccco2)SC1=S 1236460 FBWSDQOPWTXCDD-RAXLEYEMSA-N 344.417 2.755 10 40 EFCB O=C(CN1C(=O)/C(=C/c2ccccc2)SC1=S)N1CCCC1 5370664 ACXQUZWIJNUVJJ-RAXLEYEMSA-N 332.450 2.510 10 40 EFCB C[C@@H](O)CN(Cc1cc(OCc2ccccc2)ccc1O)C[C@@H](C)O 1724244 YKZYOZQXPNGPPM-HZPDHXFCSA-N 345.439 2.535 10 40 EFCB Cc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(C)n1C1CCCC1 479432 LYUDETFAUMNHNI-UHFFFAOYSA-N 345.468 2.819 10 40 EFCB CCC[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc(O)cc2)SC1=S 4795552 NWTMBZAOESKGQC-OYGDSYQHSA-N 337.422 2.847 10 40 EFCB O=C1NC(=O)N(CCC2=CCCCC2)C(=O)/C1=C\c1ccc(O)cc1 497595 KBWJNEUWFZRCKE-VBKFSLOCSA-N 340.379 2.745 10 40 EFCB CN(C)c1ccc(CNC(=O)CN2CCC[C@H](C(F)(F)F)C2)cc1 24799049 KCVBXJCBTSDYTG-AWEZNQCLSA-N 343.393 2.643 10 40 EFCB Cc1nc(O)c2c(n1)CN(Cc1ccc(N3CCCC3)cc1C)CC2 19570680 OYAMSSOFZJXTCK-UHFFFAOYSA-N 338.455 2.958 10 40 EFCB COC(=O)/C=C/c1ccc(N2CCCO[C@@H]3CCC[C@@H]32)c([N+](=O)[O-])c1 71909852 CJTPZBBMOCBMGT-PRLJZHDASA-N 346.383 2.929 10 40 EFCB COc1ccccc1[C@H](c1cc2c(cc1O)OCO2)N1CCOCC1 31772451 CSQQCASHAULUEU-LJQANCHMSA-N 343.379 2.551 10 40 EFCB CN1CCCc2cc([C@@H](CNC(=O)NC(C)(C)C)N(C)C)ccc21 35597166 QTEXHLWDKQBNLN-QGZVFWFLSA-N 332.492 2.769 10 40 EFCB CN1C(=O)/C(=C/c2ccc(N3CCCCCC3)o2)C(O)=NC1=S 478869 HURVNUBCCDEKRW-ZRDIBKRKSA-N 333.413 2.757 10 40 EFCB CN(c1ccc(CNC(=O)Cn2cccn2)cc1)C1CCCCC1 67299717 RRRXHEUMDDWDHG-UHFFFAOYSA-N 326.444 2.968 10 40 EFCB CC1=NN(c2ccc(C)c(Cl)c2)C(=O)/C1=C\NCCCC(=O)O 408539834 ZJDJNZSRFDSXLL-LCYFTJDESA-N 335.791 2.709 10 40 EFCB CCN1C(=O)/C(=C/c2nc3ccccc3c(=O)n2C)c2ccccc21 33414239 DUNUMPOMPGSHEJ-NTCAYCPXSA-N 331.375 2.841 10 40 EFCB Cc1nc(O)c2c(n1)CN(Cc1ccc(N3CCCC3)c(F)c1)CC2 19576591 CXPFGJRDCVPCKZ-UHFFFAOYSA-N 342.418 2.788 10 40 EFCB CC(C)CN1C[C@@H]2CN(Cc3ccccc3O)CCN2C(C)(C)C1 514288495 BLRANDGJKGEGPD-SFHVURJKSA-N 331.504 2.629 10 40 EFCB biogenic,in-vitro CCCCN1CCc2cc(/C=C3/C(=O)N(C)C(=S)N=C3O)ccc21 2593520 DWRXCUWNJZTRFS-SDNWHVSQSA-N 343.452 2.946 10 40 EFCB O=C1N=C(N2CCOCC2)S/C1=C\c1cc2cc(F)ccc2o1 98056002 ZPFIOCCUPTUDDA-ZROIWOOFSA-N 332.356 2.874 10 40 EFCB CC(C)(C)C1(C)OC(=O)C(=Cc2ccc(O)c([N+](=O)[O-])c2)C(=O)O1 6763571 CAKGZLAQIDJNAV-UHFFFAOYSA-N 335.312 2.546 10 40 EFCB O=C(O)CCCCCN1C(=O)/C(=C\c2ccccn2)SC1=S 1799377 NULIBNIGRBSTIR-ZRDIBKRKSA-N 336.438 2.928 10 40 EFCB COc1ccc(Br)cc1/C=C1\SC(=S)NC1=O 16406692 SWGIUAXYJKUMQG-UITAMQMPSA-N 330.228 2.947 10 40 EFCB COc1cc(/C(C)=C2/SC(=S)NC2=O)cc(OC)c1OC 17422888 VUCTYMMRFTUOOG-KPKJPENVSA-N 325.411 2.591 10 40 EFCB O=C(CCc1ccc(O)cc1)C[C@@H](O)CCc1ccc(O)c(O)c1 31159220 OAGXTVOZBKKJKA-KRWDZBQOSA-N 330.380 2.689 10 40 EFCB biogenic,in-vitro CCCN(CCC)c1ccc(C=C2C(=O)N(C)C(=O)N(C)C2=O)cc1 12527063 FSDZQKURGAOAQY-UHFFFAOYSA-N 343.427 2.747 10 40 EFCB CCN(CC)c1ccc(NS(=O)(=O)c2cccc3nonc23)cc1 5392643 YXSLYUGNTCNVHU-UHFFFAOYSA-N 346.412 2.870 10 40 EFCB Cc1cc(/C=C2\NC(=O)N(C)C2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1 409194206 OYQDVGAUZSEVHQ-DHDCSXOGSA-N 340.339 2.525 10 40 EFCB CC(C)(C)NC(=O)CN1C(=O)/C(=C\c2cccs2)SC1=S 4745422 FZLFRMXWLVHTSU-JXMROGBWSA-N 340.495 2.864 10 40 EFCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(Br)s1 33731555 HGHXEUPSUNCVIH-FLIBITNWSA-N 349.209 2.972 10 40 EFCB CCc1cc(=O)n2nc(NCc3ccc(N(C)C)c(C)c3)sc2n1 70021415 UNGVRNRBIJHJOS-UHFFFAOYSA-N 343.456 2.700 10 40 EFCB Cn1ccnc1-c1nccnc1[C@@H]1CCCN(Cc2cscn2)C1 257242062 IAXISYSOVWGGSA-CYBMUJFWSA-N 340.456 2.713 10 40 EFCB CCN(CC)c1ccc(CNC(=O)[C@@H]2C[C@@H]2c2cnn(C)c2)cc1F 66841406 GBHSIPUQHOHFFX-HZPDHXFCSA-N 344.434 2.825 10 40 EFCB Cc1ccc(N2C(=O)/C(=C/c3cc(C)[nH]c3C)C(=O)NC2=S)cc1 382156 ZQVCYRZLDIMLIV-OQLLNIDSSA-N 339.420 2.771 10 40 EFCB CCCCNC(=O)CN1C(=O)/C(=C/c2cccs2)SC1=S 7261581 PSNRNFRAIYCRHW-FLIBITNWSA-N 340.495 2.866 10 40 EFCB CC1=NN(C(=O)c2ccncc2)C(=O)[C@@H]1/N=N\c1ccc(F)cc1 104275996 GKQWVBRPLBCQTM-BVGIJJTOSA-N 325.303 2.732 10 40 EFCB O=C1N/C(=C\c2ccc(N3CCOCC3)cc2)C(=O)N1c1ccccc1 5927433 WMPGPHGEYQDRED-JXAWBTAJSA-N 349.390 2.621 10 40 EFCB O=C(O)c1cc(NS(=O)(=O)c2ccc(Cl)cc2)ccc1O 207292 DHLFFNPMCZSVGI-UHFFFAOYSA-N 327.745 2.545 10 40 EFCB Cc1cc(Br)c(O)c(CN(C)[C@H](C)C[S@](C)=O)c1 95940826 SVCYASXJMBMBJR-MLCYQJTMSA-N 334.279 2.662 10 40 EFCB COc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc(C)s3)C2=O)c1 9356910 WPRWCFWLPLLWPY-NTEUORMPSA-N 342.376 2.732 10 40 EFCB COc1ccccc1/C=C1/C(=O)NN(c2ccc(Cl)cc2)C1=O 16228332 TYBMVRYUZBTROC-UVTDQMKNSA-N 328.755 2.810 10 40 EFCB CC(C)C[C@H](C(=O)O)N1C(=O)/C(=C\c2ccn(C)c2)SC1=S 5373969 OHUJDNCKDNQJJI-LAPSENCUSA-N 338.454 2.726 10 40 EFCB S=C(NNc1nnnn1-c1ccccc1)Nc1ccc(Cl)cc1 12420678 NATDXORIWBBKEP-UHFFFAOYSA-N 345.819 2.629 10 40 EFCB COc1ccc(N2CCN(Cc3nnc(-c4ccco4)o3)CC2)cc1 58173821 PFPBCAKCOFPHQQ-UHFFFAOYSA-N 340.383 2.660 10 40 EFCB CCCC(=O)N1CCC[C@@H](C(=O)N[C@@H](C)c2cc(OC)ccc2O)C1 69845748 UFXQZARWUQOSCO-UONOGXRCSA-N 348.443 2.617 10 40 EFCB CC(=O)N1[C@H](C(=O)N2CCC(C)CC2)CS[C@@H]1c1ccccc1O 4699303 SNTNITHXJPJVBP-MAUKXSAKSA-N 348.468 2.613 10 40 EFCB CCOc1cc(/C=C2\SC(NC(C)=O)=NC2=O)cc(Cl)c1O 409026975 LRSSBHTWRLPCCH-WDZFZDKYSA-N 340.788 2.551 10 40 EFCB CCCC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)N1CCOCC1 15466819 SFTRLMVZLTWLHJ-LGMDPLHJSA-N 331.391 2.935 10 40 EFCB O=C1N[C@@H](c2ccccc2)C12CCN(c1ccc3c(c1)OCO3)CC2 306143532 YETJWPZVBRVHPS-SFHVURJKSA-N 336.391 2.873 10 40 EFCB CCOC(=O)CN1C(=O)/C(=C/c2ccccc2F)SC1=S 1238544 JPKZPFYOGVUTJG-XFFZJAGNSA-N 325.386 2.590 10 40 EFCB C/C=C/C(=O)OCC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 4947378 FGXCPRPZJUPOEG-GORDUTHDSA-N 349.342 2.520 10 40 EFCB COc1ccc(N2CCN(CC(=O)N3[C@@H](C)CCC[C@H]3C)CC2)cc1 57579758 IGGDCKAHBNEOJM-CALCHBBNSA-N 345.487 2.607 10 40 EFCB CCC(=O)N1CCC[C@@H](C(=O)NCc2ccc(N(C)CC)c(F)c2)C1 69737056 SOEHNMCADSCGJN-OAHLLOKOSA-N 349.450 2.547 10 40 EFCB CC[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc(F)cc2)SC1=S 1795837 JKWRWKBRCJRSKM-PAKSIRSJSA-N 325.386 2.890 10 40 EFCB Cc1cc(C)c2c(N)c(C(=O)O[C@H](C)C(=O)NC(C)C)sc2n1 22989290 OHEQDJAHKIQMLQ-SNVBAGLBSA-N 335.429 2.565 10 40 EFCB O=C(O)[C@H]1Nc2c(I)cccc2[C@H]2C=CC[C@H]12 4409915 CNQHYGCDWZHJEN-FDOIEUKUSA-N 341.148 2.830 10 40 EFCB CSCC[C@@H](C)N(C)CC(=O)NCc1ccc(N2CCCC2)cc1 72290435 VCXJLKFELYZESA-MRXNPFEDSA-N 349.544 2.976 10 40 EFCB CC(=O)N1CCO[C@@H](c2cc(N(C)c3ccccc3F)nc(C)n2)C1 257200282 ACSVMPCQPILCBL-QGZVFWFLSA-N 344.390 2.612 10 40 EFCB CCOC(=O)c1sc(C)c2c1N[C@@H](c1ccccc1O)NC2=O 544496 KRMDPPXADWBTGY-CQSZACIVSA-N 332.381 2.793 10 40 EFCB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@H]1C[C@H]2CC[C@H]1C2 106554091 YPIBBGDMJDFKQP-JENIJYKNSA-N 328.456 2.918 10 40 EFCB CCCC[C@H](NCc1c(O)ccc2c(CC)cc(=O)oc12)C(=O)O 2139793 LANFBFCBSQKIKP-AWEZNQCLSA-N 333.384 2.794 10 40 EFCB biogenic O=C1NC(=S)S/C1=C\c1cc([N+](=O)[O-])ccc1N1CCCC1 5422913 IMLIOWVVMSTPBZ-WQLSENKSSA-N 335.410 2.684 10 40 EFCB CC(C)COC(=O)CN1C(=O)/C(=C/c2ccco2)SC1=S 1239039 CRBLBVRFODNJGS-WDZFZDKYSA-N 325.411 2.680 10 40 EFCB CCn1cc(Cl)c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)n1 32611567 WYMDELZMVPSJQY-UHFFFAOYSA-N 348.834 2.527 10 40 EFCB CC1=NN(c2cccc(C)c2)C(=O)/C1=C\c1ccccc1OCC(N)=O 5747842 VRSKVIDBHLQDCD-BOPFTXTBSA-N 349.390 2.665 10 40 EFCB CCCn1c(=O)c(C(=O)Nc2ccc(N)cc2)c(O)c2ccccc21 100502040 OZCICMQBZNWGLN-UHFFFAOYSA-N 337.379 2.952 10 40 EFCB COc1ccc(C=C2C(=O)OC3(CCCCC3)OC2=O)c(OC)c1 4501820 LQLNPZQDCJWGNW-UHFFFAOYSA-N 332.352 2.848 10 40 EFCB CCCN1C(=O)/C(=C/c2cccc(Br)c2)NC1=S 409085788 ZHXFSWYKKUHTEF-FLIBITNWSA-N 325.231 2.917 10 40 EFCB COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2cccc(C)c2)c1 78442022 JQPXVRCDGRAXAN-LBPRGKRZSA-N 328.368 2.525 10 40 EFCB O=C(Cc1ccc([N+](=O)[O-])cc1)NCc1ccc(N2CC=CC2)cc1 101236062 WUWJXOXCYHLXLJ-UHFFFAOYSA-N 337.379 2.830 10 40 EFCB CN(Cc1ccccc1O)C(=O)Nc1ccc2oc(=O)n(C)c2c1 72313360 KGEDZNYVXPFGFM-UHFFFAOYSA-N 327.340 2.501 10 40 EFCB CCNC(=O)CN(CC)C(=O)c1ccc(-n2c(C)ccc2C)cc1 39975538 XFHFGTZJRFKGIB-UHFFFAOYSA-N 327.428 2.692 10 40 EFCB COc1ccc(N2CCN(C(=O)c3ccc(Cl)c(N)c3)CC2)cc1 256053414 RJQBFCQRHUVWSJ-UHFFFAOYSA-N 345.830 2.893 10 40 EFCB O=C(CN1CCCCC1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 4863010 MFZBWECLVRLZRM-UHFFFAOYSA-N 348.402 2.886 10 40 EFCB CN1C(=O)C(=Cc2cc(-c3ccccc3)cs2)C(=O)N(C)C1=O 48368497 NXPURTFCYSYQHY-UHFFFAOYSA-N 326.377 2.849 10 40 EFCB COc1ccc(N2CCN(c3ccc(C=O)cc3[N+](=O)[O-])CC2)cc1 5935518 DHPIZJGYFMAEAB-UHFFFAOYSA-N 341.367 2.743 10 40 EFCB COc1ccc(C=C2C(=O)OC(C)(C(C)(C)C)OC2=O)cc1[N+](=O)[O-] 6617243 MUWZKNRHJSDRPS-UHFFFAOYSA-N 349.339 2.849 10 40 EFCB Cc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)c2ccccc2n1C 409398825 DDRPMLJIAKXXCX-ATVHPVEESA-N 331.375 2.948 10 40 EFCB COc1cc(C)cc(CN(C)c2ccc(S(C)(=O)=O)cc2)c1O 97229698 YZVLQWVHOLXGII-UHFFFAOYSA-N 335.425 2.749 10 40 EFCB Cn1cccc1/C=C1/SC(Nc2ccc3c(c2)OCO3)=NC1=O 5374446 YPAUTGLOFIIADO-RIYZIHGNSA-N 327.365 2.836 10 40 EFCB O=C(O)CCCCCN1C(=O)/C(=C\c2ccncc2)SC1=S 1766386 SJPNONWUANTENW-ZRDIBKRKSA-N 336.438 2.928 10 40 EFCB N[C@H](CC(=O)O)C(=O)OCc1cccc(/N=N\c2ccccc2)c1 104203938 GMOCWGFCIIQJFL-MVZUJROASA-N 327.340 2.947 10 40 EFCB COc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(F)cc3)C2=O)cc1 4815250 FTDNOXRJLNAGAJ-GDNBJRDFSA-N 340.310 2.501 10 40 EFCB O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccco1 432717 OGXIMLCYHKUXSN-WQLSENKSSA-N 332.768 2.764 10 40 EFCB COc1ccc(CN[C@@H]2CCC[C@H]2Cc2cc(C)no2)cc1CO 12366529 BVZOGXOOOXGVFX-MAUKXSAKSA-N 330.428 2.985 10 40 EFCB CN(C)c1ccc(CNC(=O)c2cccc(C[S@@](C)=O)c2)cc1 32865820 AFAUMNJNDAKMAH-QHCPKHFHSA-N 330.453 2.561 10 40 EFCB CCOC(=O)NN1C(=O)c2ccccc2N[C@H]1c1ccccc1O 3641435 NICHJVDQFWARSF-OAHLLOKOSA-N 327.340 2.620 10 40 EFCB Oc1ccccc1CN1C[C@H](O)C[C@H]1c1nc(-c2ccccc2)no1 15674103 PACJWWBFAYKTQW-CVEARBPZSA-N 337.379 2.750 10 40 EFCB biogenic,in-vitro CCCCn1nnnc1CN(Cc1ccco1)Cc1ccccc1O 69815978 HYCOHRLTEKSVJO-UHFFFAOYSA-N 341.415 2.974 10 40 EFCB COc1ccc(N2CCN(C(=O)/C=C/c3ccc(N)cc3)CC2)cc1 256053794 SWSIOPCSUFIPOO-NYYWCZLTSA-N 337.423 2.639 10 40 EFCB COc1ccc2nc3cc(Cl)ccc3c(NC[C@@H](O)CO)c2c1 5119347 ZTFCJHHWDCOOOK-LLVKDONJSA-N 332.787 2.815 10 40 EFCB CCN1C(=O)/C(=C\c2ccc(OC)c(OC)c2OC)SC1=S 4481911 KQBKOVNILSQZTO-DHZHZOJOSA-N 339.438 2.934 10 40 EFCB CN(C)c1ccc([C@H]2NC(=O)c3ccccc3N2C)cc1[N+](=O)[O-] 24098566 UMXAQEREVQFPGR-INIZCTEOSA-N 326.356 2.539 10 40 EFCB Cc1cc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)[nH]n1 69622559 CFBHPBOBZZCRBU-KRWDZBQOSA-N 342.443 2.606 10 40 EFCB Cc1cccc(-n2c(C)cc(C(=O)CSc3nnnn3C)c2C)c1 48324495 MNLHWYHDPCJERW-UHFFFAOYSA-N 341.440 2.901 10 40 EFCB Nc1nc2nc3c(c(-c4ccccc4)c2c(=O)[nH]1)C(=O)c1ccccc1-3 17071200 QOBUJCGUUOUHSC-UHFFFAOYSA-N 340.342 2.779 10 40 EFCB CS(C)(=O)=Nc1ccc([N+](=O)[O-])c2c1C(=O)c1ccccc1C2=O 34592537 ATJIEDMVKQXVDO-UHFFFAOYSA-N 344.348 2.729 10 40 EFCB CCCN1C(=O)N/C(=C/c2ccc(N(CC)CC)cc2OC)C1=O 409239136 GPEYZRHGHWFSCN-RVDMUPIBSA-N 331.416 2.844 10 40 EFCB C[C@H](NC(=O)NCc1cscn1)c1ccc(N2CCOCC2)cc1 69568795 UTTKYAHXWQPJKG-ZDUSSCGKSA-N 346.456 2.540 10 40 EFCB CCN1CCc2c(sc3c2C(=O)N[C@@H](c2ccccc2O)N3)C1 6891470 RTVYKCVNOMTQRT-OAHLLOKOSA-N 329.425 2.686 10 40 EFCB COCCN/C(C)=C1\C(=O)N(c2ccccc2)N=C1c1ccccc1 4999677 KKFABVDPNRXEDD-SDXDJHTJSA-N 335.407 2.948 10 40 EFCB CC[C@@H](C)[C@H](C(=O)O)N1C(=O)/C(=C\c2ccn(C)c2)SC1=S 5373976 XDYATQZBIMHXJA-WYJAURJOSA-N 338.454 2.726 10 40 EFCB CCc1ccc2c(c1)[C@@]1(NN=C(c3ccccc3O)S1)C(=O)N2 94322 POYWGBBBCJXTPN-KRWDZBQOSA-N 325.393 2.758 10 40 EFCB CC(C)CN(Cc1cc2c(cc1O)CCC2)[C@@H]1CCS(=O)(=O)C1 32888222 QTWDCEXJKPRUMA-QGZVFWFLSA-N 337.485 2.526 10 40 EFCB Oc1ccc([C@H]2OC[C@@H]3[C@H](c4ccc5c(c4)OCO5)OC[C@H]23)cc1O 66113151 CGEORJKFOZSMEZ-WXPXUSHHSA-N 342.347 2.902 10 40 EFCB in-vitro COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2ccc(C)cc2F)c1 69699962 HXUUSRJZWNROAG-LLVKDONJSA-N 346.358 2.664 10 40 EFCB Cc1nc(=O)cc([C@H]2CCN(Cc3ccc(N4CCCC4)cc3)C2)[nH]1 19285238 VGSIMGXMMCTGGC-KRWDZBQOSA-N 338.455 2.668 10 40 EFCB COCCN1C(=O)/C(=C/c2ccc3c(c2)C[C@@H](C)O3)SC1=S 2431119 QJBDFHBMPDYHAD-AHEVQNHNSA-N 335.450 2.858 10 40 EFCB CC(C)C[C@H](C(=O)O)N1C(=O)/C(=C\c2cccnc2)SC1=S 27530416 RPNMZAXGOJRFQL-LAPSENCUSA-N 336.438 2.782 10 40 EFCB COC(=O)C1=CN(c2ccccc2)c2cc(F)ccc2S1(=O)=O 64979172 ZEBOPCHKQYMJON-UHFFFAOYSA-N 333.340 2.766 10 40 EFCB COc1ccc(N(CCC(N)=O)Cc2nc3ccccc3o2)cc1 12514421 XRSCMXFOZPUHLK-UHFFFAOYSA-N 325.368 2.718 10 40 EFCB CCCC[C@H](NCc1c(O)ccc2c3c(c(=O)oc12)CCC3)C(=O)O 1891578 DLDKOKSGPLDRRT-HNNXBMFYSA-N 345.395 2.720 10 40 EFCB CC(C)C[C@@H](C(=O)O)N1C(=O)/C(=C/c2cccnc2)SC1=S 4193746 RPNMZAXGOJRFQL-ZWIPKHHJSA-N 336.438 2.782 10 40 EFCB Cc1cnn([C@@H](C)[C@@H](C)NCc2ccc(N3CCOCC3)c(F)c2)c1 69459641 IIONPCPZRZFWPS-CVEARBPZSA-N 346.450 2.907 10 40 EFCB COc1ccc(C(=O)NCc2ccc(N3CCOCC3)cc2)cc1F 54284952 IPTMVYDHEIZSPX-UHFFFAOYSA-N 344.386 2.601 10 40 EFCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc([N+](=O)[O-])cc1Cl 108083065 HEWHUZVZLOJWMN-JYRVWZFOSA-N 343.726 2.710 10 40 EFCB CCCCC12CN3CC(C)(CN(C1)C3c1cccc(OC)c1O)C2=O 19323578 VKMAUCXZPJRLKB-UHFFFAOYSA-N 344.455 2.796 10 40 EFCB biogenic O=C1NC(=O)C(=Cc2ccc(Cc3ccccc3Cl)cc2)C(=O)N1 408878222 YKCZKPXPFLJSNL-UHFFFAOYSA-N 340.766 2.680 10 40 EFCB O=C(O)CCCCCN1C(=O)/C(=C/c2ccccn2)SC1=S 1799378 NULIBNIGRBSTIR-BENRWUELSA-N 336.438 2.928 10 40 EFCB CN(C)c1ccc(CNC(=O)CCc2ccc3c(c2)OCCO3)cc1 10165728 RASDOJFLBCBNJF-UHFFFAOYSA-N 340.423 2.773 10 40 EFCB COC(=O)C1=C(C)N(Cc2ccco2)C(=O)/C1=C\c1ccccc1O 408980830 YERBZTWMKXYVJN-GDNBJRDFSA-N 339.347 2.858 10 40 EFCB CN(Cc1ccc(N(C)C)cc1)C(=O)c1cnn(-c2ccccc2)n1 8401050 JFZBEBALQDBRAX-UHFFFAOYSA-N 335.411 2.606 10 40 EFCB COC(=O)C1=CN(c2ccc(OC)cc2)c2ccccc2S1(=O)=O 64979137 UQBAFLWKSUSFBF-UHFFFAOYSA-N 345.376 2.635 10 40 EFCB CCC(=O)N1CCC[C@H](C(=O)NCc2ccc(N(C)CC)c(F)c2)C1 69737055 SOEHNMCADSCGJN-HNNXBMFYSA-N 349.450 2.547 10 40 EFCB CCOc1ccc(CN[C@@H]2CCCC[C@@H]2S(C)(=O)=O)cc1C 95985023 FFKAWIJXYVVERN-WBVHZDCISA-N 325.474 2.839 10 40 EFCB CC(C)c1ccc(N/C=C2\C(=O)N=C(S)N(C3CC3)C2=O)cc1 103120118 DURNLZQBPSHZND-NTEUORMPSA-N 329.425 2.923 10 40 EFCB COc1cc([C@@H]2Nc3ccccc3C(=O)N2C2CC2)cc(O)c1O 7886256 NZGVATUQIZNKNF-QGZVFWFLSA-N 326.352 2.835 10 40 EFCB COc1ccc(N2CCN(C[C@H](O)c3ccc(F)c(F)c3)CC2)cc1 51092672 NNSMOFDVUTYDLB-IBGZPJMESA-N 348.393 2.829 10 40 EFCB CC[C@H](C(=O)O)N1C(=O)/C(=C\c2cccc(F)c2)SC1=S 6080792 IQJOXURVVVYNKG-UEUZTHOGSA-N 325.386 2.890 10 40 EFCB CC(=O)c1c2c(n3ccccc13)C(=O)c1cccc([N+](=O)[O-])c1C2=O 11691639 SLBKUZPAOPPBME-UHFFFAOYSA-N 334.287 2.826 10 40 EFCB COC(=O)C1=CN(c2ccccc2)c2ccc(F)cc2S1(=O)=O 64979220 CKMABUNPPRWYSX-UHFFFAOYSA-N 333.340 2.766 10 40 EFCB Cc1cc(C(=O)O[C@@H](C)C(=O)NC2CC2)c(C)n1-c1ccccc1 7813601 HEZFEHLOBLJIMW-AWEZNQCLSA-N 326.396 2.918 10 40 EFCB Cc1cc(/C=C2/N=C(S)NC2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1 520080 CZRVOJDCKDDFGW-RIYZIHGNSA-N 342.380 2.759 10 40 EFCB COc1ccc(N2CCN(c3nccc(C(F)(F)F)n3)CC2)cc1 44711341 JKVOWGLJSKZBGF-UHFFFAOYSA-N 338.333 2.831 10 40 EFCB Oc1ccccc1CN1CCOC[C@H]1c1nc(-c2ccncc2)c[nH]1 96296188 XQEBXDHUXJOCEN-KRWDZBQOSA-N 336.395 2.751 10 40 EFCB biogenic,in-vitro CN(C)c1ccc(CNC(=O)c2cccc(C[S@](C)=O)c2)cc1 32865821 AFAUMNJNDAKMAH-HSZRJFAPSA-N 330.453 2.561 10 40 EFCB COC(=O)C1=CN(C2CCCC2)C(=O)/C1=C\c1ccc(C(=O)O)cc1 12631763 MBWJGSJWGXADRK-GDNBJRDFSA-N 341.363 2.610 10 40 EFCB Nc1nc(N)c(/N=N/c2cc(Cl)c([N+](=O)[O-])cc2Cl)c(O)n1 16952173 OZBZJNRHFUTNBM-ISLYRVAYSA-N 344.118 2.977 10 40 EFCB CN(Cc1nc2ccccc2[nH]1)C(=O)NCc1ccc(N(C)C)cc1 27344409 RKUNANFITWOETG-UHFFFAOYSA-N 337.427 2.971 10 40 EFCB COC(=O)c1cc2ccccc2c(CN2C[C@H](C)O[C@H](C)C2)c1O 14185873 BVFMMYDWYOTABL-BETUJISGSA-N 329.396 2.941 10 40 EFCB O=C(O)CN1C(=O)/C(=C\c2c(F)cccc2Cl)SC1=S 966922 DOMOTUMTOUMEGU-RUDMXATFSA-N 331.777 2.765 10 40 EFCB Cn1cc(/C=C2/SC(=S)N(CCC(=O)O)C2=O)c2ccccc21 2428077 WQAYBOVUNZWXLR-MDWZMJQESA-N 346.433 2.854 10 40 EFCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cccs3)C2=O)cc1 5713348 KLVXPKKGTZFEGJ-GXDHUFHOSA-N 342.376 2.813 10 40 EFCB CCC1=NN2C(=N)/C(=C/c3ccc(N(C)C)cc3)C(=O)N=C2S1 4779940 XCADUUOURVTTBQ-VOBDGNOHSA-N 327.413 2.782 10 40 EFCB CCCOc1ccccc1/C=C1\SC(N2CCN(C)CC2)=NC1=O 13514616 PWJKDMAYQLZHAR-SSZFMOIBSA-N 345.468 2.693 10 40 EFCB CCCCNS(=O)(=O)c1ccc2c(c1)C(=O)c1ccccc1C2=O 4181443 QBLAFIGMHLSEOR-UHFFFAOYSA-N 343.404 2.540 10 40 EFCB biogenic Cn1ncc2c(N3CC=C(c4c[nH]c5ncccc45)CC3)ncnc21 12585681 XCEPJGXJIVLVIE-UHFFFAOYSA-N 331.383 2.533 10 40 EFCB COC(=O)C1=C(C)N(C[C@H]2CCCO2)C(=O)/C1=C\c1cccs1 4702999 WVXZFFVVLWFFLS-OJLMPMFISA-N 333.409 2.600 10 40 EFCB CCOC(=O)CCN1C(=O)/C(=C/c2ccc(O)cc2)SC1=S 40888223 HBWODIRNNYACIV-XFXZXTDPSA-N 337.422 2.547 10 40 EFCB Cc1noc(Cl)c1CCC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 97098033 RBIAIGPSEKZKFF-VIFPVBQESA-N 338.791 2.728 10 40 EFCB COC(=O)c1cc(C(=O)OC)cc(-n2c(C)cc(C(C)=O)c2C)c1 96305903 FIDNIVBKWYRBKU-UHFFFAOYSA-N 329.352 2.870 10 40 EFCB O=c1c(/N=N/c2ccc(S(=O)(=O)O)cc2)c(O)[nH]c2ccccc12 18211559 QWPZKCFYQWWZCS-ISLYRVAYSA-N 345.336 2.896 10 40 EFCB C[S@@](=O)c1ccc(C(=O)NCc2ccc(N3CCCC3)cc2)cc1 28332158 LTWQGQRAXSENFX-DEOSSOPVSA-N 342.464 2.954 10 40 EFCB Cc1ccccc1N1C(=O)/C(=C/c2ccccc2O)C(=O)NC1=S 208908 KIRUSUOBENBMAI-JLHYYAGUSA-N 338.388 2.532 10 40 EFCB COc1ccc(NC(=O)NCc2cc([N+](=O)[O-])ccc2O)c(OC)c1 43330957 GVKADTCTTVAQES-UHFFFAOYSA-N 347.327 2.639 10 40 EFCB O=C1CCCN1c1cccc(CNCc2cc([N+](=O)[O-])ccc2O)c1 71792525 GHQLSRNRMKPHIY-UHFFFAOYSA-N 341.367 2.717 10 40 EFCB C#CCn1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c2ccccc21 33388478 FPRJMFBJIJYOJU-AQTBWJFISA-N 341.370 2.736 10 40 EFCB Nc1ccc(OCCCc2c(-c3ccccc3)nc(N)[nH]c2=O)cc1 17040441 FJTXAEOSTYUHDO-UHFFFAOYSA-N 336.395 2.613 10 40 EFCB CCOc1ccc(C(=O)NCc2ccc(N3CCOCC3)cc2)cc1 54285123 DHCZDFRCGVNPAP-UHFFFAOYSA-N 340.423 2.852 10 40 EFCB COc1ccc(-n2c(C)cc([C@H]3NC[C@@H](C(=O)O)S3)c2C)cc1 408978852 NQSXIUDZLJFRRT-HOTGVXAUSA-N 332.425 2.891 10 40 EFCB CCCOc1ccc(Cl)cc1C=C1C(=O)N(C)C(=O)N(C)C1=O 96193687 JGYHXLNSTTZTSL-UHFFFAOYSA-N 336.775 2.563 10 40 EFCB CN1C(=O)/C(=C\c2cc(Br)c(O)cc2O)SC1=S 408719214 NJOWMBMXTLRLIP-YCRREMRBSA-N 346.227 2.691 10 40 EFCB O=C1NC(=S)N(c2ccc(F)cc2)C(=O)/C1=C\C=C\c1ccco1 13546529 FAAXUMXXHHPLQQ-NQDFZQDQSA-N 342.351 2.806 10 40 EFCB O=C1NC(=S)N(c2cccc(F)c2)C(=O)/C1=C/C=C/c1ccco1 409021916 AAIDKHAQGIBXFJ-BOAPOFAJSA-N 342.351 2.806 10 40 EFCB COc1ccc(N(CCOc2ccccc2F)CCC(N)=O)cc1 12634834 LIYLEUARKWCEQP-UHFFFAOYSA-N 332.375 2.595 10 40 EFCB Nc1ccc(N2CCN(c3c(F)c(F)nc(F)c3F)CC2)cc1 552925 VDXYEUYQWZCVFK-UHFFFAOYSA-N 326.297 2.547 10 40 EFCB C[C@H]1CN(CCCN[C@H](C)c2c(O)cc(F)cc2F)C[C@@H](C)O1 108393812 CXCQZQPSKLONPX-FRRDWIJNSA-N 328.403 2.820 10 40 EFCB Cc1ccc(N2C(=O)/C(=C/c3ccoc3)C(=O)NC2=S)c(C)c1 409125997 ANQFIRRLAFCTEW-MDWZMJQESA-N 326.377 2.728 10 40 EFCB C[C@H](NC(=O)CSc1ncc(-c2ccccc2)n1C)[C@@H]1CCCO1 65542131 IBVJLDONDMDGRY-BBRMVZONSA-N 345.468 2.863 10 40 EFCB CN1C(=O)C(=Cc2c(Cl)cccc2Cl)C(=O)N(C)C1=S 504040 LZZAERMCHZNILH-UHFFFAOYSA-N 329.208 2.592 10 40 EFCB Cc1cc(NC(=O)NCc2ccc(N3CCSCC3)cc2)no1 44971349 JFMSJXOXIAASFA-UHFFFAOYSA-N 332.429 2.858 10 40 EFCB Cc1ccc(-c2cnc(SCC(=O)NC[C@@H]3CCCO3)n2C)cc1 10347547 IVYFGEUFLVPLPF-HNNXBMFYSA-N 345.468 2.783 10 40 EFCB Cc1ccc(N/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1 3894092 RGGZADXHCAIXDX-LFIBNONCSA-N 335.363 2.882 10 40 EFCB Cc1cc(C)c(S(=O)(=O)Nc2ccc(O)c(C(=O)O)c2)cc1C 73671 GQOWDTZNHWFOPH-UHFFFAOYSA-N 335.381 2.816 10 40 EFCB O=C(O)c1ccc2ccc(/C=C/c3cc(O)c(O)c(O)c3)nc2c1O 3828932 DEHWDDWRZXNDCL-DAFODLJHSA-N 339.303 2.926 10 40 EFCB CC(C)[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccccc2O)SC1=S 4976541 QCZXCYPLOQQSTI-VNKGSWCUSA-N 337.422 2.703 10 40 EFCB Fc1cc(CNC[C@H]2CCCn3ccnc32)ccc1N1CCOCC1 89768334 UAGNGOJOGCNOGG-MRXNPFEDSA-N 344.434 2.526 10 40 EFCB Oc1cc2c(cc1[C@H](c1ccc(F)cc1)N1CCOCC1)OCO2 31771978 UEKWHYLQFCQSFJ-SFHVURJKSA-N 331.343 2.682 10 40 EFCB CC1=C(C(=O)/N=N/C(=O)c2cccs2)NN(c2ccccc2)N1 8983017 PQDTXQJKLWIELY-WUKNDPDISA-N 327.369 2.628 10 40 EFCB COc1cc(/C=C2\SC(=S)N(C)C2=O)cc(OC)c1OC 1452326 MSXFPIJOPOWPNA-XFFZJAGNSA-N 325.411 2.543 10 40 EFCB O=C(O)CN1C(=O)/C(=C/c2ccc3ccccc3n2)SC1=S 1601177 PLONLYDWXJIJTK-GHXNOFRVSA-N 330.390 2.521 10 40 EFCB COC(=O)c1c(NC(=O)CCC(=O)O)sc2c1CCCCC2 3634349 CQVAHRUPLXGPQQ-UHFFFAOYSA-N 325.386 2.607 10 40 EFCB CN1C(=O)N=C(O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1=O 446998 MWFSBCBVVJLBIB-XYOKQWHBSA-N 341.279 2.787 10 40 EFCB Cc1c(CC(=O)N[C@@H]2CCCC[C@H]2C)c(=O)oc2c(O)c(O)ccc12 5347796 LXWCFTZNOKRFKB-QMTHXVAHSA-N 345.395 2.750 10 40 EFCB CCO/C(CC)=C1/C(=O)N(c2ccc(F)cc2)N=C1CC(=O)OC 19894229 UVDZLHPQWFPJIF-JQIJEIRASA-N 334.347 2.792 10 40 EFCB O=C(NCc1ccc(N2CCNCC2)c(F)c1)c1ccccc1Cl 195542856 XIAODCMCZXXRQT-UHFFFAOYSA-N 347.821 2.819 10 40 EFCB CCCC[C@H](C(=O)O)N1C(=O)/C(=C/c2cccnc2)SC1=S 4193750 SAOQWLLQSLKEOS-HQQGHWSLSA-N 336.438 2.926 10 40 EFCB Cc1ccc(Cl)cc1-c1ccc(C=C2C(=O)NC(=S)NC2=O)o1 344186 LFXSNSDPNQKLCV-UHFFFAOYSA-N 346.795 2.823 10 40 EFCB CCN1C(=O)C(=CN[C@@H](C)c2ccccc2C)C(=O)N(CC)C1=S 23641179 KYXLXNRHRPVUMR-ZDUSSCGKSA-N 345.468 2.525 10 40 EFCB O=C(C[C@@H]1SC(=S)NC1=O)Nc1ccc(Cl)c(Cl)c1 34926793 ZXNAMXVAPFEUPO-QMMMGPOBSA-N 335.237 2.839 10 40 EFCB COc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)c2nonc12 32579210 STXISRNNWZNLPC-UHFFFAOYSA-N 339.760 2.686 10 40 EFCB COC(=O)C1=C(C)N(C[C@H]2CCCO2)C(=O)/C1=C\c1cccc(C)c1 14414462 PONNUJJIJGUMIF-FEEIMYBTSA-N 341.407 2.847 10 40 EFCB O=C1NN(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc([N+](=O)[O-])cc1 5569251 IMHXVAAKMKUKFU-ZROIWOOFSA-N 343.726 2.710 10 40 EFCB Cc1ccccc1-n1c(C)cc(C(=O)N2CCn3c(C)nnc3C2)c1C 69487706 DZXQJGPFRROOHJ-UHFFFAOYSA-N 349.438 2.958 10 40 EFCB CCn1cc(/C=C2\SC(=S)N(CC(=O)O)C2=O)c2ccccc21 34704597 OHKQLZZGIMTJBG-QPEQYQDCSA-N 346.433 2.947 10 40 EFCB CN(Cc1cc(=O)oc2cc(O)c(O)cc12)Cc1cc(Cl)cn1C 97376378 WNJIODGKQGRXLT-UHFFFAOYSA-N 348.786 2.828 10 40 EFCB COC(=O)[C@H](C)N1C(=O)/C(=C/c2ccccc2F)SC1=S 1276909 DPQDAYBXHVAOHW-CLUBXZQOSA-N 325.386 2.588 10 40 EFCB CCCN1C(=O)N/C(=C/c2ccc(N3CCCCC3)cc2OC)C1=O 409251889 QVVWAVCQWBGAPS-FOWTUZBSSA-N 343.427 2.988 10 40 EFCB Cc1cccc(NC(=O)C[C@@H]2SC(=O)N(c3ccccc3)C2=O)n1 36635236 DGISBBVFQWZEHG-ZDUSSCGKSA-N 341.392 2.987 10 40 EFCB COCCN1C(=O)/C(=C\c2ccc3c(c2)C[C@@H](C)O3)SC1=S 2431117 QJBDFHBMPDYHAD-GMROUXNLSA-N 335.450 2.858 10 40 EFCB COc1ccc(N2C(=O)/C(=C\c3ccccc3)C(=O)NC2=S)cc1 408758727 PWKOPHSQEYBIIY-PTNGSMBKSA-N 338.388 2.527 10 40 EFCB CN1CC[C@H](NC(=O)c2ccc(O)c(O)c2)[C@@H]1c1ccc(Cl)cc1 97235284 LSYOXLAYZMJQKP-YOEHRIQHSA-N 346.814 2.926 10 40 EFCB Cc1ccc(Sc2ccc(C=C3C(=O)NC(=O)NC3=O)cc2)cc1 409237046 VGZRNFMDYDIAGV-UHFFFAOYSA-N 338.388 2.896 10 40 EFCB Cc1cc(O)c(CN2CCC(C(=O)Nc3nncs3)CC2)cc1C 57090875 QNWNNPGUIDUUBB-UHFFFAOYSA-N 346.456 2.711 10 40 EFCB Fc1cc(CNCc2cccc3c2OCO3)ccc1N1CCOCC1 48748797 LJDOEYKUHTUYPL-UHFFFAOYSA-N 344.386 2.681 10 40 EFCB COc1ccccc1/C=C/C=C1/SC(N2CCOCC2)=NC1=O 72856971 GXEDKNBHXCJPNW-PXNAYESVSA-N 330.409 2.554 10 40 EFCB CC1=NN(C(=O)c2ccccc2)C(=O)/C1=C/c1ccc(C(=O)O)cc1 408937852 PKVUCHAPKGDVKM-LFIBNONCSA-N 334.331 2.827 10 40 EFCB CCN(c1ccc(O)cc1)S(=O)(=O)c1cccc2nsnc12 193348075 GHPSTHUBTBEMQZ-UHFFFAOYSA-N 335.410 2.612 10 40 EFCB CCN(CCc1nccs1)Cc1cc(=O)oc2cc(O)c(O)cc12 97135219 IOXUNCVMEKOEBH-UHFFFAOYSA-N 346.408 2.725 10 40 EFCB O=C1NN(c2ccc(Cl)cc2)C(=O)/C1=C\c1cccc([N+](=O)[O-])c1 359870 PXQXANSEPDZASE-ZROIWOOFSA-N 343.726 2.710 10 40 EFCB COc1cc2c(cc1O)CN1Cc3c(cc(OC)c(OC)c3O)[C@@H]2C1 3847203 ICHIVKWLKWUUDS-CYBMUJFWSA-N 343.379 2.585 10 40 EFCB CSC(N)=C1C(=O)N(c2ccccc2)N(c2ccccc2)C1=O 255189218 OMJLTRYPUSKIHK-UHFFFAOYSA-N 325.393 2.515 10 40 EFCB COc1ccc(C=C2C(=O)OC(C)(C(C)(C)C)OC2=O)cc1OC 104020 BVKPFZSFIXDBKU-UHFFFAOYSA-N 334.368 2.950 10 40 EFCB CC(C)Oc1ccccc1/C=C1\SC(=S)N(CC(=O)O)C1=O 33717039 UMRXSYOSQGWYCV-GHXNOFRVSA-N 337.422 2.760 10 40 EFCB CC1(C)OC(=O)C(=CNc2nc3c(F)cc(F)cc3s2)C(=O)O1 13999641 JDQRVCIPZQSUIV-UHFFFAOYSA-N 340.307 2.706 10 40 EFCB O=C1CN(C(=O)/C=C/c2cnn(-c3ccccc3)c2)c2ccccc2N1 15854679 DKUARXXXLOTZLP-ZHACJKMWSA-N 344.374 2.871 10 40 EFCB CC(C)N1C(=O)S/C(=C\c2ccc(N3CCOCC3)cc2)C1=O 33294621 JPGIQYUFGKYZIY-PTNGSMBKSA-N 332.425 2.968 10 40 EFCB O=C(CCc1nccs1)N(Cc1ccccc1O)C[C@H]1CCCO1 96410494 FDDMFZLHTJVLTG-OAHLLOKOSA-N 346.452 2.989 10 40 EFCB Cc1ccc(/C=C2\C(=O)NC(=O)N(Cc3ccc(F)cc3)C2=O)s1 15276816 DAMQNVUHIAZYIE-RIYZIHGNSA-N 344.367 2.858 10 40 EFCB CCCCN1C(=O)NC(=O)/C(=C/c2cn(CC)c3ccccc23)C1=O 5834593 CRYBDENLHSNWOW-PTNGSMBKSA-N 339.395 2.923 10 40 EFCB CC1=NN(c2cccc(C)c2)C(=O)/C1=C\Nc1ccc2[nH]c(=O)[nH]c2c1 15974283 HJLASCSOTBGJGV-GDNBJRDFSA-N 347.378 2.883 10 40 EFCB CCN(CC)C(=O)CN1C(=O)/C(=C/c2ccccc2)SC1=S 4076887 OKXVCTYCTAIJEU-RAXLEYEMSA-N 334.466 2.756 10 40 EFCB C[C@@H]1CN(C(=O)Cc2ccc(N)cc2)C[C@H](c2ccc(F)cc2)O1 160506544 JIAOXMGHHZRYMF-FZKQIMNGSA-N 328.387 2.939 10 40 EFCB Nc1nc(O)c2nc(/N=N\c3ccc(Br)cc3)[nH]c2n1 104218649 WOLARJZCVLUQAA-HNENSFHCSA-N 334.137 2.819 10 40 EFCB COC(=O)C1=C(C)N(C[C@@H]2CCCO2)C(=O)/C1=C\c1sccc1C 408996397 DKBFBRNSHKBPHU-GFAPJHNFSA-N 347.436 2.908 10 40 EFCB COc1cccc(C[C@H]2CN(C)Cc3c2ccc(OC)c3O)c1O 3848604 OUJWSXCGISMENG-ZDUSSCGKSA-N 329.396 2.887 10 40 EFCB biogenic CC1=C(C(=O)OCCC(C)C)[C@H](c2ccc(N(C)C)cc2)NC(=O)N1 194880 NNGQKJLBIOVBIJ-KRWDZBQOSA-N 345.443 2.970 10 40 EFCB COCCN1C(=O)c2ccccc2N[C@H]1c1cccc(OC)c1O 25310004 FADUDHBCSIVVAD-QGZVFWFLSA-N 328.368 2.614 10 40 EFCB Cc1ccc(-n2c(C)cc(C(=O)CSc3nnnn3C)c2C)cc1 4058056 BYOCOYUOOYDABR-UHFFFAOYSA-N 341.440 2.901 10 40 EFCB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cc(C2CC2)on1 26404785 WCGQHPFHXASLAK-UHFFFAOYSA-N 341.411 2.661 10 40 EFCB CC(C)C[C@H](C(=O)O)N1C(=O)/C(=C/c2ccco2)SC1=S 5284642 VMDVEVOKSMZOLJ-PAKSIRSJSA-N 325.411 2.980 10 40 EFCB CCCC(=O)N1CCC[C@H](C(=O)N[C@@H](C)c2cc(OC)ccc2O)C1 69845746 UFXQZARWUQOSCO-KBPBESRZSA-N 348.443 2.617 10 40 EFCB CC(=O)c1ccc(N2C(=O)C/C(=C\c3ccc(O)c(O)c3)C2=O)cc1 9576913 ZCZXVDKQKSTDMN-RIYZIHGNSA-N 337.331 2.647 10 40 EFCB COc1ccc(N(C)CCNS(=O)(=O)Cc2cccc(C)c2)cc1 78582435 OSPIXXVDBZJUJV-UHFFFAOYSA-N 348.468 2.559 10 40 EFCB COc1cccc(C2=NN(S(C)(=O)=O)[C@H](c3ccccc3O)C2)c1 4942344 TYIRLXPJSSQDHI-INIZCTEOSA-N 346.408 2.512 10 40 EFCB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2O)NC(=S)N1 181547 BTXRUNWDKVPJGD-INIZCTEOSA-N 339.420 2.824 10 40 EFCB Cc1ccc(C)c(N2C(=O)NC(=O)/C(=C\NCc3ccccc3)C2=O)c1 408535218 YAGJXYXBHUAUNX-FOWTUZBSSA-N 349.390 2.560 10 40 EFCB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(N(CC)CC)cc1 8974249 IVYQPPOPPMLMIT-MRXNPFEDSA-N 347.484 2.889 10 40 EFCB COc1cc(/C=C2/SC(N3CCCC3)=NC2=O)cc(OC)c1OC 86192 BPAAVQUXYUXMDX-GXDHUFHOSA-N 348.424 2.779 10 40 EFCB O=C(C[C@@H]1SC(=S)NC1=O)Nc1cccc(C(F)(F)F)c1 34926765 GKLPIYMUAQEEEN-QMMMGPOBSA-N 334.344 2.551 10 40 EFCB COc1ccc(N2CCN(C(=O)c3cc(N)ccc3Cl)CC2)cc1 256054053 UTRDMCJSABDLLP-UHFFFAOYSA-N 345.830 2.893 10 40 EFCB COc1cc(/C=C2\SC(N3CCCCC3)=NC2=O)cc(OC)c1O 8117789 QFRSJVQVMSDWDB-UVTDQMKNSA-N 348.424 2.866 10 40 EFCB C[C@H](NCCCN1CCCC1=O)c1cc(Br)ccc1O 95469443 SQIBCYYXABPDJP-NSHDSACASA-N 341.249 2.818 10 40 EFCB Cc1nnc(NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)s1 47938872 DUJABHVXGRMAID-CYBMUJFWSA-N 348.428 2.765 10 40 EFCB CC(=O)n1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c2ccccc21 33387107 JDVDMTWHWQFAJY-BOPFTXTBSA-N 345.358 2.763 10 40 EFCB CN1CCN([C@@H](c2ccncc2)c2ccc3cccnc3c2O)CC1 20507239 NQXCTRCPZLXMMO-IBGZPJMESA-N 334.423 2.672 10 40 EFCB Cc1nc2c(C(=O)O)c(C)nn2c(O)c1Cc1cccc(Cl)c1 103795301 KCLQDATTYYHHLD-UHFFFAOYSA-N 331.759 2.994 10 40 EFCB CCCCCC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 55916389 KBABLACZNVOZFD-INIZCTEOSA-N 331.460 2.585 10 40 EFCB CCCOc1ccccc1/C=C1\SC(=S)N(CC(=O)O)C1=O 16904835 DSCFRUFJBDTWSK-WQLSENKSSA-N 337.422 2.761 10 40 EFCB CC1=C(C(=O)OC2CCCC2)[C@@H](c2ccc(N(C)C)cc2)NC(=O)N1 123718 YLIZPJZHMRQRGC-QGZVFWFLSA-N 343.427 2.866 10 40 EFCB CN(Cc1ccccc1O)C(=O)c1cccn(Cc2ccccc2)c1=O 63767169 WTNZSZYZKOOUBW-UHFFFAOYSA-N 348.402 2.874 10 40 EFCB COc1cccc([C@@H]2N=C(O)c3c(sc4c3CCN(C)C4)N2)c1O 5879311 PUTSJLCZEYTBCK-OAHLLOKOSA-N 345.424 2.879 10 40 EFCB COc1cccc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)c1 408884337 UBPGOEJCZJAVDE-LFIBNONCSA-N 336.347 2.670 10 40 EFCB CN1CCN(c2ccc(CNC(=O)/C=C/c3ccccc3)cc2)CC1 216926252 LKMKHNHRAPQWRM-FMIVXFBMSA-N 335.451 2.768 10 40 EFCB CSc1nc(C)cc(Nc2ccc(O)c(CN3CCOCC3)c2)n1 31925021 VPEFNMWFUUQUDG-UHFFFAOYSA-N 346.456 2.788 10 40 EFCB in-vitro COc1ccc(N2CCN(CCCNC3CCSCC3)CC2)cc1 6651329 OCBRKDRLKFWCQN-UHFFFAOYSA-N 349.544 2.693 10 40 EFCB COc1cccc([C@H]2N=C(O)c3c(sc4c3CCN(C)C4)N2)c1O 5879310 PUTSJLCZEYTBCK-HNNXBMFYSA-N 345.424 2.879 10 40 EFCB Cc1noc(C)c1CCC(=O)NCc1ccc2cccnc2c1O 585141338 UFJOLDPALBJCJA-UHFFFAOYSA-N 325.368 2.794 10 40 EFCB CCN(C(=O)CN(Cc1ccco1)Cc1ccccc1O)C1CC1 69596387 SEBHTVVDROTHPO-UHFFFAOYSA-N 328.412 2.998 10 40 EFCB Cc1ccc(CC(=O)NCc2ccc(N3CCOCC3)cc2)cc1C 218805778 MSENEDVTZROWQV-UHFFFAOYSA-N 338.451 2.999 10 40 EFCB O=C(NCCn1ccnc1)N(Cc1ccco1)Cc1ccccc1O 67002970 PYHUUKYGSXJQIW-UHFFFAOYSA-N 340.383 2.594 10 40 EFCB COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2ccc(C)c(F)c2)c1 71803508 JINXOOFGYHJUIU-LLVKDONJSA-N 346.358 2.664 10 40 EFCB COc1ccc(N(C)CCNC(=S)Nc2ncccc2OC)cc1 225799597 FEZPBMLXNLXQJJ-UHFFFAOYSA-N 346.456 2.522 10 40 EFCB CCc1ccc(/C=C2\SC(N3CCN(CC)CC3)=NC2=O)cc1 550845 GGZHLWZFMSMYNU-SSZFMOIBSA-N 329.469 2.857 10 40 EFCB CCCC12CN3CC(CCC)(CN(C1)C3c1ccccc1O)C2O 19323553 CMMLLECCYUHCIO-UHFFFAOYSA-N 330.472 2.970 10 40 EFCB biogenic CCCOC(=O)CN1C(=O)/C(=C/c2cccc(F)c2)SC1=S 1809311 OJIJSQOJSAWOQZ-WQLSENKSSA-N 339.413 2.980 10 40 EFCB COc1ccc(/C=C2/SC(=O)N(CCCC(N)=O)C2=S)cc1 1800041 AYWSVQWWJJSWSP-FMIVXFBMSA-N 336.438 2.798 10 40 EFCB CCN(C[C@@H]1CCCO1)C(=O)/C=C/c1ccc(N2CCOCC2)cc1 71889011 BRTVQXZYYNYFMQ-VQFGERMISA-N 344.455 2.564 10 40 EFCB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cc(Cl)c[nH]1 24207166 YXLAHAQXJNTOBC-UHFFFAOYSA-N 333.819 2.777 10 40 EFCB Cc1cc2n(n1)C[C@@H](CNCc1ccc(N3CCCC3)cc1)CN2 58314809 MHBURQYEQKZGLP-KRWDZBQOSA-N 325.460 2.623 10 40 EFCB CC(=O)NN1C(=O)/C(=C2\N(C)c3ccccc3C2(C)C)SC1=S 4109361 GZIFBYYSYIXMCR-OUKQBFOZSA-N 347.465 2.537 10 40 EFCB Cn1c(-c2ccccc2)cnc1SCn1nnc2ccccc2c1=O 7129001 FROBTFOQBJCODC-UHFFFAOYSA-N 349.419 2.942 10 40 EFCB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1c(O)ccc2ccccc12 5315387 LVSAVIMUURBMMO-MRXNPFEDSA-N 342.420 2.901 10 40 EFCB CC[C@H](C)[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccco2)SC1=S 8326892 RZROLVPZECBAGU-IGISWIECSA-N 325.411 2.980 10 40 EFCB Cc1cc(Cl)c(O)c(C(=O)C(=O)[C@@H](O)c2ccc3c(c2)OCO3)c1 6484296 AKFNKYUUKDVBCU-AWEZNQCLSA-N 348.738 2.568 10 40 EFCB CCc1cc(O)ccc1NS(=O)(=O)c1ccc(NC(C)=O)cc1 189425892 XHIWVLLZFPFEER-UHFFFAOYSA-N 334.397 2.714 10 40 EFCB Cn1cccc1/C=C1\SC(Nc2ccccc2C(=O)O)=NC1=O 19891082 VVCRMMZAPBNIHX-LCYFTJDESA-N 327.365 2.806 10 40 EFCB CCCOc1c(Cl)cc(Cl)cc1C=C1C(=O)NC(=O)NC1=O 409044265 VBPFLXVHNCKQGE-UHFFFAOYSA-N 343.166 2.532 10 40 EFCB CCOC(=O)C1=C(C)N(CCOC)C(=O)/C1=C\c1cccc(F)c1 408586061 KTPPRSBQPHMRPS-PTNGSMBKSA-N 333.359 2.535 10 40 EFCB COc1ccccc1/C=C1\SC(N2C[C@H](C)O[C@@H](C)C2)=NC1=O 103754 WQZMBIHFPSSTOE-UGDMJCMUSA-N 332.425 2.775 10 40 EFCB CCCC[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccn(C)c2)SC1=S 5373960 WWQNXUZNTIDQME-SERMCNLOSA-N 338.454 2.870 10 40 EFCB Cc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c(C)n1-c1ccccc1 6626398 OZVFMRJCUJSZDV-UHFFFAOYSA-N 337.379 2.528 10 40 EFCB CCCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)C(C(=O)OC)=C1C 408584861 VZQZRHUPGVOCAJ-ZROIWOOFSA-N 343.379 2.888 10 40 EFCB COc1ccc(/N=N/[C@@H]2C(=O)N(C(=O)c3ccncc3)N=C2C)cc1 104204149 USMQMOHXACCYKA-CVTQAYBASA-N 337.339 2.601 10 40 EFCB CCCCN1CCc2cc(/C=C3/C(=O)NC(=S)N=C3O)ccc21 9009650 JXUPAORQXBIBDY-UHFFFAOYSA-N 329.425 2.604 10 40 EFCB O=C(C[C@@H]1SC(=O)N(c2ccccc2)C1=O)Nc1ccncc1 36635241 ATDHEVGEOIIILS-ZDUSSCGKSA-N 327.365 2.679 10 40 EFCB C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)N(C)Cc1ccccc1O 53915179 ZGZJQVSCSUOMFK-CQSZACIVSA-N 336.391 2.866 10 40 EFCB CCc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(O)cc3)C2=O)cc1 5024956 AKMXYLWZHUBONQ-WJDWOHSUSA-N 336.347 2.621 10 40 EFCB CCN1C(=O)C(=Cc2cn(C)c3ccccc23)C(=O)N(CC)C1=S 5030581 MZHYJFROIIBVCC-UHFFFAOYSA-N 341.436 2.557 10 40 EFCB CC(C)C[C@H](C(=O)O)N1C(=O)/C(=C/c2cccnc2)SC1=S 4193747 RPNMZAXGOJRFQL-HBZGRHIISA-N 336.438 2.782 10 40 EFCB CCN(C)c1ccc(/C=C2/C(=O)NN(c3ccc(C)cc3)C2=O)cc1 32099432 ODIIAEVJXQJVDB-AQTBWJFISA-N 335.407 2.913 10 40 EFCB COc1cccc2c1C(=O)c1c(c(O)c3cc(O)ccc3c1O)C2=O 6019156 HVWINTHXQUZYHP-UHFFFAOYSA-N 336.299 2.741 10 40 EFCB biogenic,in-vitro CCN(c1cc(O)ccc1C)S(=O)(=O)c1cccc2nsnc12 32922457 FAVINRRTEYIEKJ-UHFFFAOYSA-N 349.437 2.921 10 40 EFCB COc1ccc2ccc(O)c(CN(C)CC(=O)NC(C)(C)C)c2c1 8148080 HSYGBRFUZKEWIH-UHFFFAOYSA-N 330.428 2.901 10 40 EFCB CCCN(Cc1ccccc1O)C(=O)CNC(=O)c1ccsc1 69379549 QDIKAOFURALZAQ-UHFFFAOYSA-N 332.425 2.622 10 40 EFCB Cc1cc(CNC(=O)CCNC(=O)c2cccs2)ccc1N(C)C 69870601 VJOMVPUKWIKIAN-UHFFFAOYSA-N 345.468 2.559 10 40 EFCB Cc1nn(C)c(Cl)c1CNCc1ccc(N2CCOCC2)cc1 65465587 ODUZUQIIJRKJSE-UHFFFAOYSA-N 334.851 2.508 10 40 EFCB CCOC(=O)CN1C(=O)/C(=C/c2sccc2C)SC1=S 1238546 ZBCCHRXNLZJKNT-POHAHGRESA-N 327.452 2.821 10 40 EFCB CC1(C)OC(=O)C(=Cc2ncc(C(F)(F)F)cc2Cl)C(=O)O1 1384970 PSGNPAFVXSZWGL-UHFFFAOYSA-N 335.665 2.973 10 40 EFCB FC(F)(F)c1cc(N2CCOCC2)ccc1CNCc1ncc[nH]1 67694019 TVQDKIGDJXBSLH-UHFFFAOYSA-N 340.349 2.555 10 40 EFCB COc1cccc2c1OC[C@@H](NC(=O)N(C)Cc1ccccc1O)C2 71796342 KNWOALICIVDJMP-HNNXBMFYSA-N 342.395 2.546 10 40 EFCB O=C(C[C@H]1SC(=O)N(c2ccccc2)C1=O)Nc1ccncc1 36635242 ATDHEVGEOIIILS-CYBMUJFWSA-N 327.365 2.679 10 40 EFCB COc1ccc(N2CCC(N(C)C(=O)COCC3CC3)CC2)cc1 69514849 CZOYHBGIXZXWQN-UHFFFAOYSA-N 332.444 2.549 10 40 EFCB Cc1cc(CN(CCO)Cc2cccnc2)c(C)n1-c1ccccn1 12144447 SLJWMDXSGOGPIJ-UHFFFAOYSA-N 336.439 2.879 10 40 EFCB CC(=O)NC1=NC(=O)/C(=C\c2cc(Cl)c(O)c(Cl)c2)S1 6262356 HRLHGFDXCYGURM-RUDMXATFSA-N 331.180 2.805 10 40 EFCB CCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccccc3)C2=O)cc1 4692951 MNEQBEAHIJMPEB-VBKFSLOCSA-N 336.347 2.752 10 40 EFCB COCCN1C(=O)[C@H](Cc2ccc(OC)c(Cl)c2)SC1=S 8104630 WGSWASKPDXCYPI-LBPRGKRZSA-N 345.873 2.766 10 40 EFCB CCN(CC)c1ccc(CN(C)C(=O)c2ccn(C)c(=O)c2)cc1 32764540 RQAYWPQMGNMPLR-UHFFFAOYSA-N 327.428 2.504 10 40 EFCB COCCN1C(=O)c2ccccc2N[C@@H]1c1cccc(OC)c1O 25310000 FADUDHBCSIVVAD-KRWDZBQOSA-N 328.368 2.614 10 40 EFCB Cc1c(Cl)cccc1-c1ccc(C=C2C(=O)NC(=S)NC2=O)o1 5697211 JRAXMFHAIZEHHJ-UHFFFAOYSA-N 346.795 2.823 10 40 EFCB Oc1cc2c(cc1[C@@H](c1ccc3c(c1)OCO3)n1ccnc1)OCO2 5479093 SADZUGZPRKRGTC-GOSISDBHSA-N 338.319 2.684 10 40 EFCB in-vivo Cc1ccccc1-n1c(C)cc(C(=O)N[C@H](C)C(=O)N(C)C)c1C 46825944 JOSGEOFYCNMJGC-CQSZACIVSA-N 327.428 2.609 10 40 EFCB CN(Cc1ccccc1O)C(=O)c1cn(-c2ccccc2Cl)nn1 58281350 XCAPYRAIFVIIJC-UHFFFAOYSA-N 342.786 2.899 10 40 EFCB COc1ccc(/C=C2/SC(N3C[C@@H](C)O[C@H](C)C3)=NC2=O)cc1 26686977 GULVJNCDTBRYTP-GTZAAGPCSA-N 332.425 2.775 10 40 EFCB COc1ccc(N2C[C@](O)(c3cccs3)[N+]3=C2SCCC3)cc1 22405144 BZNQKHYZXSRKMC-KRWDZBQOSA-N 347.485 2.927 10 40 EFCB O=c1[nH]c2cc(NCc3ccc(N4CCOCC4)c(F)c3)ccc2o1 225602269 AQCHXPOCZYPLRU-UHFFFAOYSA-N 343.358 2.709 10 40 EFCB CC(C)N(C)C(=O)C1CCN(Cc2cc3c(cc2O)CCC3)CC1 42096007 PUJNUNIJLYGNAE-UHFFFAOYSA-N 330.472 2.960 10 40 EFCB CCN1CCN(c2ccc(CNCc3cccc(O)c3)cc2F)CC1 78604288 BSZQIDLUKIHRPR-UHFFFAOYSA-N 343.446 2.963 10 40 EFCB CCc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccccc2O)C1=O 408881208 KCUYAJAMXVJFEB-KAMYIIQDSA-N 336.347 2.621 10 40 EFCB CCCC[C@@H](C(=O)O)N1C(=O)/C(=C/c2cccn2C)SC1=S 6635777 ITIMMRBHCBVKJH-AWPPVZKDSA-N 338.454 2.870 10 40 EFCB CN1C(=O)C(=Cc2ccc(-c3ccccc3F)s2)C(=O)N(C)C1=O 12825613 RRWRKUSHWLVRSN-UHFFFAOYSA-N 344.367 2.988 10 40 EFCB COC(=O)Cc1c(C)c2ccc(O)c(CNCCC(C)C)c2oc1=O 13656004 BLOJEPTUNPUPRN-UHFFFAOYSA-N 347.411 2.658 10 40 EFCB O=C(Cc1cccc(F)c1)NCc1ccc(N2CCOCC2)c(F)c1 55522520 ROURGRHOMXVPSY-UHFFFAOYSA-N 346.377 2.660 10 40 EFCB CC(=O)N1CCN(C(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)CC1 44866958 YOAFHQFFTNNHRN-UHFFFAOYSA-N 343.402 2.538 10 40 EFCB COc1ccc(N2CCC(NC(=O)Cc3ccc(C)nc3)CC2)cc1 69815667 NORNQOUTMMKWLM-UHFFFAOYSA-N 339.439 2.726 10 40 EFCB CCN1C(=O)C(=CN[C@H](C)c2ccccc2C)C(=O)N(CC)C1=S 23641180 KYXLXNRHRPVUMR-CYBMUJFWSA-N 345.468 2.525 10 40 EFCB CC(=O)Oc1ccc(C=C2C(=O)OC3(CCCCC3)OC2=O)cc1 58865788 UCXHSLANJDZCSZ-UHFFFAOYSA-N 330.336 2.756 10 40 EFCB CN1CCCc2cc(CNC(=O)c3cc(=O)c4ccccc4[nH]3)ccc21 57550259 LZNSEAIHQCKCNK-UHFFFAOYSA-N 347.418 2.841 10 40 EFCB Cn1cc(/C=C2\SC(=S)N(CCC(=O)O)C2=O)c2ccccc21 13786381 WQAYBOVUNZWXLR-JYRVWZFOSA-N 346.433 2.854 10 40 EFCB Cc1cc(C(=O)N2CCC[C@@H]2Cn2cccn2)c(C)n1-c1ccccn1 69921922 RQEUOAMISGGAQD-QGZVFWFLSA-N 349.438 2.990 10 40 EFCB CCN(Cc1ccc(N2CCC(OC)CC2)cc1)C(=O)C1(O)CCC1 225396711 OAGCQLYZGLYDJB-UHFFFAOYSA-N 346.471 2.565 10 40 EFCB Cc1ncc(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)s1 96410491 MGWRHVQUHPXGOB-AWEZNQCLSA-N 332.425 2.979 10 40 EFCB CCCOc1ccccc1/C=C1\SC(N2CCOCC2)=NC1=O 12437154 DGAKFWOZFOZGSJ-QINSGFPZSA-N 332.425 2.778 10 40 EFCB COC(=O)CN1C(=O)/C(=C\c2ccccc2Cl)SC1=S 5214875 GSNVSWBARCVPCS-UXBLZVDNSA-N 327.814 2.714 10 40 EFCB Cc1nc2n(n1)C[C@@H](NCc1ccc(N3CCCCC3)cc1)CC2 69772781 HUHDWVLRYJQBSY-KRWDZBQOSA-N 325.460 2.681 10 40 EFCB COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2ccc(F)cc2C)c1 69562709 SIIGYRBXHGZYPP-LLVKDONJSA-N 346.358 2.664 10 40 EFCB O=C(C[C@H]1SC(=S)NC1=O)Nc1cccc(C(F)(F)F)c1 34926764 GKLPIYMUAQEEEN-MRVPVSSYSA-N 334.344 2.551 10 40 EFCB CC1(C)[C@@]2(C(=O)N3CCCc4ccccc43)CC[C@@]1(C)C(=O)C2=O 100867778 OFMMHXXUMVVBGW-PMACEKPBSA-N 325.408 2.930 10 40 EFCB O=C(CC1CCN(Cc2cc([N+](=O)[O-])ccc2O)CC1)N1CCCC1 69615876 BXZMVMDNFQIDCH-UHFFFAOYSA-N 347.415 2.525 10 40 EFCB COc1ccc(N2CCN(C(=O)[C@@H]3C[C@@H]3c3ccco3)CC2)cc1 71834956 KVABGWBKXJQSIB-DLBZAZTESA-N 326.396 2.741 10 40 EFCB COc1cccc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)c1 408874442 BLPNDNDNAUPTAO-PTNGSMBKSA-N 338.388 2.527 10 40 EFCB CCOc1ccc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)cc1OCC 41078364 MSQDNVYBZGQYIC-AEVLXMGSSA-N 341.367 2.934 10 40 EFCB CN(Cc1ccccc1O)C(=O)NCCc1ccc(N(C)C)cc1 69623098 HMTNPSUOZRAJKY-UHFFFAOYSA-N 327.428 2.842 10 40 EFCB c1cc(N2CCCCC2)ccc1CNC[C@@H]1CN(C2CC2)CCO1 72268813 USXSAGFINZTBPT-HXUWFJFHSA-N 329.488 2.630 10 40 EFCB COc1ccc(N2CCC(NC(=O)NC3CCSCC3)CC2)cc1 69739606 UAGLNBAQFJYZMG-UHFFFAOYSA-N 349.500 2.859 10 40 EFCB O=C1NN=C(C(F)(F)F)/C1=C/Nc1ccc(OC(F)(F)F)cc1 100409152 ZAFHRCQWMCABCB-YVMONPNESA-N 339.195 2.929 10 40 EFCB C[C@H]1Oc2ccccc2O[C@H]1C(=O)NCc1ccc(N(C)C)cc1 14310848 HIFPRYALZKVNPT-FZKQIMNGSA-N 326.396 2.597 10 40 EFCB O=C1NC(=O)N(C2CCCCC2)C(=O)/C1=C\C=C\Nc1ccccc1 6402900 QESRZYXCIWLKKN-QDIIEIGVSA-N 339.395 2.950 10 40 EFCB CC[C@@H](C)[C@H](C(=O)O)N1C(=O)/C(=C\c2ccco2)SC1=S 5373815 RZROLVPZECBAGU-IAFAVEBVSA-N 325.411 2.980 10 40 EFCB CCC1=NN2C(=N)/C(=C\c3ccc(N(C)C)cc3)C(=O)N=C2S1 13286041 XCADUUOURVTTBQ-ZOXWBLRNSA-N 327.413 2.782 10 40 EFCB O[C@@H](CNCc1ccc(N2CCOCC2)cc1)c1ccc(F)c(F)c1 71819550 OQECKOLILUDQGT-IBGZPJMESA-N 348.393 2.625 10 40 EFCB COc1cc2c(cc1OC)[C@H]1Cc3cc(O)c(O)cc3CN1CC2 338403 VAKIESMDOCVMDV-OAHLLOKOSA-N 327.380 2.771 10 40 EFCB biogenic,in-vitro Cc1ccnc(/N=c2\scc(-c3ccc(O)c(O)c3O)n2C)c1 101721212 RWQCXBFNMHVMLT-VLGSPTGOSA-N 329.381 2.806 10 40 EFCB CN(C)c1ccc(CNn2c(-c3ccncc3)n[nH]c2=S)cc1 7365451 XOWGBAUPMJQYFM-UHFFFAOYSA-N 326.429 2.812 10 40 EFCB C[C@@H](NC(=O)NC1(C)CCC1)c1ccc(N2CCN(C)CC2)cc1 96484556 PCITXIGGOXJFOS-OAHLLOKOSA-N 330.476 2.741 10 40 EFCB COc1cc(S(=O)(=O)Nc2ccc(O)cc2)c(OC)cc1Cl 1615546086 LRTDOCVEVPKDJZ-UHFFFAOYSA-N 343.788 2.864 10 40 EFCB Cc1cc(O)c(CN2CCC(C(=O)NCC(F)(F)F)CC2)cc1C 40501218 VNCOJBAQFKUQON-UHFFFAOYSA-N 344.377 2.900 10 40 EFCB CN1C(=O)N=C(O)/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)C1=O 446975 HMUVCJNWVNEJHR-DHZHZOJOSA-N 341.279 2.787 10 40 EFCB COc1ccc(-n2c(C)cc([C@@H]3NC[C@@H](C(=O)O)S3)c2C)cc1 408978854 NQSXIUDZLJFRRT-JKSUJKDBSA-N 332.425 2.891 10 40 EFCB COCCCNC(=O)c1ccc2c3c(onc13)-c1ccccc1C2=O 5157119 LXUKGKQDBOPMHC-UHFFFAOYSA-N 336.347 2.806 10 40 EFCB COc1ccc(N2CCC(N(C)C(=O)[C@H](C)OCC3CC3)CC2)cc1 79335670 JVLRFVRSTKMHSA-HNNXBMFYSA-N 346.471 2.938 10 40 EFCB CC(=O)Nc1nc(C(=O)NCc2ccc(N3CCCC3)cc2)cs1 40514249 VZEQBKDVXIHSCU-UHFFFAOYSA-N 344.440 2.632 10 40 EFCB CC(=O)NC1=NN(c2ccccc2)C(=O)[C@@H]1/N=N/c1cccc(C)c1 101469850 HZDIIPHAEGVWBG-FVGNFYTDSA-N 335.367 2.944 10 40 EFCB NC(=O)[C@H]1CCCN(c2ccc(CNCc3ccc(F)cc3)cc2)C1 54178815 MKNOQWIEVMEMHE-KRWDZBQOSA-N 341.430 2.817 10 40 EFCB COc1ccc(CCNCc2ccc(N3CCOCC3)cc2)cc1 5701573 DGBZZOWWHKRWTL-UHFFFAOYSA-N 326.440 2.864 10 40 EFCB C[C@H](Cc1ccc(O)c(O)c1)NC(=O)/C=C/c1nc2ccccc2o1 96011690 QPOUTZDBEVYLLZ-IDVQTMNDSA-N 338.363 3.000 10 40 EFCB Nc1ccc(CN(Cc2ccccc2)[C@H]2C=CS(=O)(=O)C2)cc1 575420401 HKRXLVXVOCORKH-SFHVURJKSA-N 328.437 2.582 10 40 EFCB Oc1ccc([C@@H]2OC[C@@H]3[C@@H](c4ccc5c(c4)OCO5)OC[C@H]23)cc1O 14658105 CGEORJKFOZSMEZ-BIPCEHGGSA-N 342.347 2.902 10 40 EFCB biogenic,in-vitro Cc1cc(/C=C2\SC(=S)N(CC(=O)O)C2=O)c(C)n1C(C)C 8205921 PIQUCNPZUACWJN-SDQBBNPISA-N 338.454 2.972 10 40 EFCB Oc1cc2c(cc1CN1CCN(c3ccc(F)cc3)CC1)OCO2 3349789 NWDYFPRHGYHJQM-UHFFFAOYSA-N 330.359 2.582 10 40 EFCB O=C(O)CN1C(=O)/C(=C\c2ccccc2OC(F)F)SC1=S 3340609 OUUAEXXGAVDRJV-WEVVVXLNSA-N 345.348 2.574 10 40 EFCB CCN(CC)c1ccc([C@H]2Nc3ccccc3S(=O)(=O)N2)cc1 67350827 REOMOVHIJRAAPZ-KRWDZBQOSA-N 331.441 2.935 10 40 EFCB CCCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(N(C)C)cc1 4042850 BKKZGGQQCKKDSV-MRXNPFEDSA-N 331.416 2.724 10 40 EFCB CCn1c(SCC(=O)c2ccc(O)c(O)c2)nnc1-c1ccco1 8620204 ZKILXBGKQGNIHK-UHFFFAOYSA-N 345.380 2.944 10 40 EFCB CS(=O)(=O)c1ccc(C(=O)Nc2cccc(N3CCCC3)c2)cc1 47192395 QJGCXEHFRGBZQR-UHFFFAOYSA-N 344.436 2.943 10 40 EFCB COc1ccc(O)c([C@H](C)NC(=O)COc2ccc(F)cc2F)c1 65591254 NTSRYRGMRATXEH-JTQLQIEISA-N 337.322 2.935 10 40 EFCB O=C1NN(c2ccccc2)C(=O)/C1=C\C=C\c1cccc([N+](=O)[O-])c1 5683760 KHNBUAMZCRRQDT-PFKGSKDKSA-N 335.319 2.612 10 40 EFCB COc1ccc(O)c([C@H](C)NC(=O)[C@@H](C)Cc2c(C)n[nH]c2C)c1 95445904 VSDOGJSVXDNFOK-QWRGUYRKSA-N 331.416 2.797 10 40 EFCB O=c1c2[nH]c3ccc(F)cc3c2ncn1CCc1ccc(O)c(O)c1 524437 UZAAPUCZLGXYBA-UHFFFAOYSA-N 339.326 2.671 10 40 EFCB COc1ccc(/C=C2\SC(=S)N(CCCC(=O)O)C2=O)cc1 12504554 WNSXQGARFJFRDC-XFXZXTDPSA-N 337.422 2.761 10 40 EFCB COc1cc(N2CCCC2)c(OC)cc1/C=C1\SC(=O)N(C)C1=O 1011557 XXLXNBVPIJNYMH-DHDCSXOGSA-N 348.424 2.970 10 40 EFCB Cc1ccccc1N/C=C1\C(=O)NC(=O)N(c2ccccc2F)C1=O 4182717 OGJUKYHORSJQJU-ZRDIBKRKSA-N 339.326 2.713 10 40 EFCB CCN(CC)c1ccc(/C=C2/SC(=O)N(CC(=O)O)C2=O)cc1 214539910 WEKBZLFVHMIPMC-UKTHLTGXSA-N 334.397 2.654 10 40 EFCB O=C1N=C(N2CCN(c3ccccc3)CC2)S/C1=C/c1ccc[nH]1 5372858 CJHZOCJJYMEGOF-DTQAZKPQSA-N 338.436 2.807 10 40 EFCB O=C(Cc1ccccc1)NN1C(=O)/C(=C\c2ccco2)SC1=S 4855000 FBWSDQOPWTXCDD-JLHYYAGUSA-N 344.417 2.755 10 40 EFCB CC[C@H](C)n1cc(/C=C2\C(=O)NC(=S)N(C)C2=O)c2ccccc21 408912272 DVUOWXSTMJNOQP-LUHPIMIVSA-N 341.436 2.869 10 40 EFCB Oc1ccccc1[C@H]1Nn2c(COc3ccccc3)nnc2S1 3843186 YEKGUESMRSISNY-HNNXBMFYSA-N 326.381 2.911 10 40 EFCB biogenic CCc1cc(N2CCC(NCc3ccc4c(c3)CCO4)CC2)ncn1 96449353 KDQZNBIIYQVYAJ-UHFFFAOYSA-N 338.455 2.733 10 40 EFCB CCOc1ccc(/C=C2\SC(=S)N([C@H](C)C(=O)O)C2=O)cc1 967074 KSYBSJPJUZHNIN-ZPBHHCQCSA-N 337.422 2.760 10 40 EFCB Cc1cc(CCNc2ccc3nnnn3n2)c(C)n1-c1ccccc1 8720880 UVYMDOYRMWSYNA-UHFFFAOYSA-N 333.399 2.581 10 40 EFCB O=C(NC[C@H]1CCN(c2ccc(OC(F)(F)F)cc2)C1)N1CCC1 95955834 CSPPRLVTDKPKOK-GFCCVEGCSA-N 343.349 2.827 10 40 EFCB CC[C@H](NCc1cccnc1N1CCN(C)CC1)c1ccccc1O 186135530 CPADQLAYVVIMJV-SFHVURJKSA-N 340.471 2.780 10 40 EFCB CCN1CCCc2cc(CN3CCc4c(O)nc(C)nc4C3)ccc21 19527297 SQGXXUVECWPRHO-UHFFFAOYSA-N 338.455 2.821 10 40 EFCB O=C(NN1C(=O)/C(=C\c2ccc[nH]2)SC1=S)c1ccccc1 27231180 UQCGNSOBGRPXGG-FMIVXFBMSA-N 329.406 2.561 10 40 EFCB NC(=O)[C@H]1Cc2ccccc2CN1Cc1c(O)ccc2ccccc12 35421635 OQFDWBRCNROOGY-LJQANCHMSA-N 332.403 2.958 10 40 EFCB O=C(Nc1ccc(/N=N/c2ccccc2)cc1)N1C[C@H](O)[C@H](O)C1 95460813 ULBOSCGDZBQLCB-BVYOUEPQSA-N 326.356 2.671 10 40 EFCB CCN1C(=O)[C@H](Cc2cc(OC)c(OC)cc2C)SC1=S 6952505 IMWDRMZOXKKCPX-ZDUSSCGKSA-N 325.455 2.804 10 40 EFCB COc1ccc(N2CCN(C(=O)CNc3cccc(F)c3)CC2)cc1 12549042 HTWDPTSUOGCRKZ-UHFFFAOYSA-N 343.402 2.595 10 40 EFCB Cc1cc(C)n(CC2CCN(C(=O)c3ccc(C)c(O)c3O)CC2)n1 96003841 NPHOUJLTNAOBSF-UHFFFAOYSA-N 343.427 2.772 10 40 EFCB CCOC(=O)c1[nH]c2ccccc2c1/N=N/N1CCC(C(N)=O)CC1 5053949 AKJJEVYECLKFRO-QZQOTICOSA-N 343.387 2.541 10 40 EFCB O=C1NC(=O)N(Cc2ccccc2)C(=O)/C1=C\C=C\Nc1ccccc1 4817249 NNXGQDINDLKSCB-XPWRRFFTSA-N 347.374 2.817 10 40 EFCB COc1ccc(N2N=C(C)/C(=C(\C)NCc3cccnc3)C2=O)cc1 100422830 PEDKISVNJTUPAE-AQTBWJFISA-N 336.395 2.877 10 40 EFCB CN1CCc2c(sc3c2C(O)=N[C@@H](c2ccc(O)c(O)c2)N3)C1 535963 YZWWUKWPGWEOOB-CQSZACIVSA-N 331.397 2.576 10 40 EFCB CCC[C@@H](NCc1c(O)ccc2c3c(c(=O)oc12)CCCC3)C(=O)O 4025703 XYIXRUSSFODCSE-OAHLLOKOSA-N 345.395 2.720 10 40 EFCB biogenic CCOc1ccc(CN[C@H]2CCCC[C@H]2S(C)(=O)=O)cc1C 95985026 FFKAWIJXYVVERN-DOTOQJQBSA-N 325.474 2.839 10 40 EFCB Cc1ccccc1N1C(=O)/C(=C/c2ccsc2)C(=O)NC1=S 564261 NWWGYAHPCFZEOW-XYOKQWHBSA-N 328.418 2.888 10 40 EFCB COc1cccc(CNC(=O)NC[C@H](c2cccs2)N(C)C)c1O 72293211 OYTBTCWPDKCBSD-CYBMUJFWSA-N 349.456 2.564 10 40 EFCB COc1ccc2c(=O)c(C(=O)N(C)Cc3ccccc3O)c[nH]c2c1 77258401 XSDXYEVKORDMDB-UHFFFAOYSA-N 338.363 2.515 10 40 EFCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc(Br)cs1 33779749 KJNOHGHHUMFJCG-GHXNOFRVSA-N 349.209 2.972 10 40 EFCB COc1ccc(C=C2C(=O)OC3(CCCCC3)OC2=O)cc1[N+](=O)[O-] 58865825 LZGNFKFCUFBNMV-UHFFFAOYSA-N 347.323 2.747 10 40 EFCB O=C(C[C@@H]1SC(=S)NC1=O)Nc1cccc(Cl)c1Cl 34926787 SOWUHTJPUNGRDX-ZETCQYMHSA-N 335.237 2.839 10 40 EFCB C[C@@H]1CN(CCCN[C@H](C)c2c(O)cc(F)cc2F)C[C@@H](C)O1 108393815 CXCQZQPSKLONPX-JHJVBQTASA-N 328.403 2.820 10 40 EFCB COc1cc(CNCc2ccc(N3CCOCC3)cc2)cc(OC)c1 48747415 XNUFAETZADELDB-UHFFFAOYSA-N 342.439 2.830 10 40 EFCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)cc1 408913980 WRJLYNVMDNEWMV-OQLLNIDSSA-N 340.310 2.501 10 40 EFCB CC1CCN(c2ccc([C@@H](C)NC(=O)Cn3cccn3)cc2)CC1 36752326 FDGQSAJWVJFIPS-MRXNPFEDSA-N 326.444 2.997 10 40 EFCB Cc1cccc(NC(=S)NCc2ccc(N3CCOCC3)cc2)n1 225422290 KOHPQDMPALPSQR-UHFFFAOYSA-N 342.468 2.713 10 40 EFCB O=C1NC(=S)N(c2ccc(F)cc2)C(=O)/C1=C/C=C/c1ccco1 545815 FAAXUMXXHHPLQQ-GSPDUGTFSA-N 342.351 2.806 10 40 EFCB O=C(c1nccn2ccnc12)N(Cc1ccco1)Cc1ccccc1O 95434099 BPQOSMVCRRJMTR-UHFFFAOYSA-N 348.362 2.871 10 40 EFCB Cc1ccc(C)c(N2C(=O)NC(=O)/C(=C\c3ccc(O)cc3)C2=O)c1 408881667 MAQOBMFJSRBRDF-XNTDXEJSSA-N 336.347 2.675 10 40 EFCB Cc1cc(C)nc(NCc2ccc(N3CCC(CO)CC3)cc2)n1 52446684 RNUSOSNSSHXCJU-UHFFFAOYSA-N 326.444 2.914 10 40 EFCB O=C1N=C(O)/C(=C\NN2CCCCC2)C(=O)N1c1ccccc1Cl 8656538 VWMYPSYUGGKKJG-ZHACJKMWSA-N 348.790 2.638 10 40 EFCB C[C@H](NC(=S)Nc1cccnc1)c1ccc(N2CCOCC2)cc1 225839870 DEKGQIGRGRXHJO-AWEZNQCLSA-N 342.468 2.966 10 40 EFCB OC1CCN(c2ccc(CNC[C@@H]3CSCCS3)cc2)CC1 585118664 XVTOBOAFXXAHQK-QGZVFWFLSA-N 338.542 2.586 10 40 EFCB Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NCC(=O)N(C)C)c1 48261878 WQTRLPYRULGZAZ-UHFFFAOYSA-N 333.819 2.566 10 40 EFCB O=C(NCc1ccc(N2CCSCC2)cc1)c1ccc([N+](=O)[O-])o1 28530563 UNYCPMWPQCQVDC-UHFFFAOYSA-N 347.396 2.671 10 40 EFCB COC(=O)c1ccc(/C=C2\SC(N3CCCCC3)=NC2=O)cc1 5370678 JHJDZPMMOURRKC-KAMYIIQDSA-N 330.409 2.929 10 40 EFCB Cc1ccc2c(c1)[nH]c1c(=O)n(CCc3ccc(O)c(O)c3)cnc12 2131719 XVUNGQOTCONTRZ-UHFFFAOYSA-N 335.363 2.840 10 40 EFCB biogenic Cc1ccccc1N1C(=O)/C(=C\c2ccc(F)cc2)C(=O)NC1=S 4833733 QBGWQRJEBIHCTI-UVTDQMKNSA-N 340.379 2.965 10 40 EFCB COc1ccc(N2CCCN(Cc3nnsc3Cl)CC2)cc1 52465857 FRUYHICJUOCHHF-UHFFFAOYSA-N 338.864 2.912 10 40 EFCB CC(=O)NN1C(=O)/C(=C\C2=Cc3ccccc3O[C@H]2C)SC1=S 13689886 QTNYEVWMYIRKBT-PFMRQGHBSA-N 346.433 2.646 10 40 EFCB COc1cc([C@H]2CC(=O)Nc3ccc4nsnc4c32)cc(O)c1O 96230885 JYTWKSBXOCVFEC-MRVPVSSYSA-N 343.364 2.585 10 40 EFCB O=C(NCc1cc([N+](=O)[O-])ccc1O)c1c(Cl)nc2ccccn12 84606549 DCGUGENXLNKZND-UHFFFAOYSA-N 346.730 2.532 10 40 EFCB C[C@@H]1Oc2ccccc2O[C@H]1C(=O)N(C)Cc1ccc(N(C)C)cc1 36650463 FAGNOAVQEHGLIS-IFXJQAMLSA-N 340.423 2.940 10 40 EFCB O=C(C[C@H]1SC(=S)NC1=O)Nc1cc(Cl)cc(Cl)c1 34926794 CXIUWMZLLOTKED-MRVPVSSYSA-N 335.237 2.839 10 40 EFCB Cc1cc(C(=O)N2CCc3nnc(N)cc3C2)c(C)n1-c1ccccc1 84081310 BYARWLPITSPDRZ-UHFFFAOYSA-N 347.422 2.665 10 40 EFCB Cc1ccc(-n2c(C)ccc2C)c(C(=O)N[C@@H]2CCCCNC2=O)c1 89611914 AFQJRAVAUBHKBV-QGZVFWFLSA-N 339.439 2.801 10 40 EFCB CC1=NN(c2nc3ccccc3[nH]2)C(=O)/C1=C/Nc1ccc(O)cc1 100430140 RYSJOKKYEREUMS-GXDHUFHOSA-N 333.351 2.987 10 40 EFCB CCc1ccccc1N1C(=O)NC(=O)/C(=C\NCc2ccccc2)C1=O 408530148 ITVSPZXCLBONSV-DTQAZKPQSA-N 349.390 2.506 10 40 EFCB Cc1c(CNc2nccc(N3CCOCC3)n2)n(C)c2ccccc12 1616022686 LFTXPKNNRNBRLN-UHFFFAOYSA-N 337.427 2.725 10 40 EFCB CN(C)/N=N\c1ccc(C(=O)N[C@H](Cc2ccccc2)C(=O)O)cc1 17139039 RRZYNIPFPRIUHP-MODMUFLJSA-N 340.383 2.673 10 40 EFCB CNc1snc(C)c1C(=O)NCc1ccc2c(c1)CCCN2C 57550231 MXEHJLWJWUWDCV-UHFFFAOYSA-N 330.457 2.806 10 40 EFCB COC(=O)C1=C(C)N(C)C(=O)/C1=C\c1cccc(Br)c1 408974629 FSOWUJPMZZQPHO-WQLSENKSSA-N 336.185 2.752 10 40 EFCB Cc1cc(NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)on1 65541411 NSOUTUBEXXLKTC-AWEZNQCLSA-N 331.372 2.902 10 40 EFCB CCN(CC)c1ccc(CNC(=O)[C@@H]2C[C@H]2c2cnn(C)c2)cc1F 66841408 GBHSIPUQHOHFFX-JKSUJKDBSA-N 344.434 2.825 10 40 EFCB O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C\Nc1ccc(Cl)cc1 408547020 DSMOFQXPVLCCJX-JYRVWZFOSA-N 345.742 2.507 10 40 EFCB CC1=CC2=NC(=O)/C(=C/c3ccc(O)c(Br)c3)C(=N)N2O1 4649967 CQDCLSNCSIOPET-WTKXWPBNSA-N 348.156 2.605 10 40 EFCB Cn1cccc1/C=C1/SC(Nc2ccc(O)c(C(=O)O)c2)=NC1=O 20227125 XWDWWHQEIYGJIA-MDWZMJQESA-N 343.364 2.511 10 40 EFCB CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1ccccc1OC 54798756 IVRIQKCSFOPMPL-UHFFFAOYSA-N 348.468 2.972 10 40 EFCB Cc1cc(=O)oc2c(CN3CC[C@@]4(O)CCCC[C@@H]4C3)c(O)ccc12 1554502589 QYRIHSOITNEDOL-VLIAUNLRSA-N 343.423 2.934 10 40 EFCB Cc1ccccc1C1=NN(S(C)(=O)=O)[C@@H](c2ccccc2O)C1 75106824 NSCOFYNGCBJEKR-MRXNPFEDSA-N 330.409 2.811 10 40 EFCB Cc1cc(O)ccc1NS(=O)(=O)c1cc(C(=O)O)ccc1Cl 226860673 JXCMVJDJERAXJN-UHFFFAOYSA-N 341.772 2.853 10 40 EFCB COCCCN1C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)SC1=S 9189325 NAJDJVOOOGBXCN-XFXZXTDPSA-N 338.410 2.833 10 40 EFCB CC(=O)c1ccc(NC(=O)[C@]23CC[C@@](C)(C(=O)C2=O)C3(C)C)cc1 100624077 LDRQHUHRFVKVIS-OALUTQOASA-N 327.380 2.792 10 40 EFCB C[C@H](C(=O)O)N1C(=O)/C(=C\c2c[nH]c3ccccc23)SC1=S 21487212 HPDSJPINDQZMIO-OPYOOOJUSA-N 332.406 2.842 10 40 EFCB COc1ccc(S(=O)(=O)N(C)Cc2ccc(N(C)C)cc2)cc1 7146298 KIOMPDJUZLHHED-UHFFFAOYSA-N 334.441 2.582 10 40 EFCB Cc1cc(C)cc(N2C(=O)/C(=C/c3ccco3)C(=O)NC2=S)c1 409018576 HTGDOKRDGKVTQR-NTEUORMPSA-N 326.377 2.728 10 40 EFCB O=C1/C(=C\c2ccc(N3CCOCC3)cc2)N=C2CCCCCN12 3212039 YWKUFAQVUYHJHO-SAPNQHFASA-N 325.412 2.679 10 40 EFCB COc1ccc(N2C[C@@](O)(c3ccccc3)[N+]3=C2SCCC3)cc1 425730 NVQNLNRNHXUJBS-LJQANCHMSA-N 341.456 2.866 10 40 EFCB C[C@@H]1CN(c2ccc(CNC(=O)c3ccccn3)cc2F)C[C@@H](C)O1 55529980 JGGUFFBCRDRELC-ZIAGYGMSSA-N 343.402 2.764 10 40 EFCB O=C(NN1C(=O)/C(=C/c2ccncc2)SC1=S)c1ccccc1 8315980 IKOKQTPEIHBXGI-RAXLEYEMSA-N 341.417 2.628 10 40 EFCB CCCN(CC(=O)NC(=O)NC1CCCCC1)Cc1ccccc1O 58218326 KMXOEFNOGNCWNU-UHFFFAOYSA-N 347.459 2.763 10 40 EFCB CCN1C(=O)/C(=C\c2cccc(OCCC(=O)O)c2)SC1=S 16905230 MYLYQDYKTUQXBI-FMIVXFBMSA-N 337.422 2.761 10 40 EFCB COc1ccc(NS(=O)(=O)c2cccc3nonc23)cc1Cl 14223100 OLGYOPRDBQHSPP-UHFFFAOYSA-N 339.760 2.686 10 40 EFCB COc1ccc(N2CCN(C(=O)[C@@H](OC)c3ccccc3)CC2)cc1 77925229 PYBLTVUOKFQLJK-IBGZPJMESA-N 340.423 2.732 10 40 EFCB C[C@H](NCc1c(O)ccc2c(-c3ccccc3)cc(=O)oc12)C(=O)O 405960 AWEFXECHEHYAIJ-NSHDSACASA-N 339.347 2.728 10 40 EFCB biogenic O=c1[nH]ncc(NCc2ccc(N3CCSCC3)cc2)c1Cl 48252511 YZEBMZKSWLDQRD-UHFFFAOYSA-N 336.848 2.589 10 40 EFCB O=C1/C(=C/c2ccc([N+](=O)[O-])o2)C(O)=NC(=S)N1c1ccccc1 1295377 CMPOSTXJWTUOKQ-DHZHZOJOSA-N 343.320 2.859 10 40 EFCB CCOc1ccccc1NS(=O)(=O)c1cccc2nsnc12 223867 KTEMBUIRDOQSMA-UHFFFAOYSA-N 335.410 2.891 10 40 EFCB COc1ccc(S(=O)(=O)NCc2ccc(N(C)C)cc2)cc1C 30324619 UZNYBGDINYVQOH-UHFFFAOYSA-N 334.441 2.548 10 40 EFCB CC(=O)Nc1ccc(NC=C2C(=O)OC3(CCCCC3)OC2=O)cc1 215709 LERKGVXIVGMWSH-UHFFFAOYSA-N 344.367 2.701 10 40 EFCB CCc1ccc(NC(=O)C(=O)N[C@@H](C)c2cc(OC)ccc2O)cc1 71803505 SOMMMHBVTWJCSJ-LBPRGKRZSA-N 342.395 2.779 10 40 EFCB CCN(CC)c1ccc(CNS(=O)(=O)c2c(C)noc2C)cc1 56105710 CPLCIMSCZCORGQ-UHFFFAOYSA-N 337.445 2.616 10 40 EFCB Cc1[nH]c2ccccc2c1/C=C1\SC(=S)N(CC(=O)O)C1=O 16134283 MMSRCUVUAKLWGR-SDQBBNPISA-N 332.406 2.762 10 40 EFCB Cc1cc(C)nc(SC[C@@H]2CN[C@H](c3ccc(N(C)C)cc3)O2)n1 55212178 YKMGPLLJVCPUMA-IRXDYDNUSA-N 344.484 2.939 10 40 EFCB CCN(CC)C(=O)[C@@H](C)OC(=O)c1sc2nc(C)cc(C)c2c1N 28776182 UPLBYHRRIYMVKM-LLVKDONJSA-N 349.456 2.909 10 40 EFCB CCN(CC)c1ccc(/C=C2/SC(=O)N(CC(=O)OC)C2=O)cc1 4687738 ZHKOZJSPCMPFPD-GXDHUFHOSA-N 348.424 2.742 10 40 EFCB C[C@@H](Cc1ccc(O)cc1)NC(=O)NCc1ccc(N(C)C)cc1 56502448 UPWAHGBGDDMXSZ-AWEZNQCLSA-N 327.428 2.889 10 40 EFCB COC(=O)c1ccccc1NC=C1C(=O)OC2(CCCCC2)OC1=O 100643099 DGNHFACASXITDA-UHFFFAOYSA-N 345.351 2.529 10 40 EFCB CC(=O)NN1C(=O)/C(=C/C2=Cc3ccccc3O[C@@H]2C)SC1=S 102730322 QTNYEVWMYIRKBT-ZJTXEKFPSA-N 346.433 2.646 10 40 EFCB Cc1cc(N(C)C)ccc1CNC(=O)c1cn(C)nc1-c1cccnc1 72286132 VVXKNONUVZOHGE-UHFFFAOYSA-N 349.438 2.787 10 40 EFCB O=C1NC(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1ccccc1O 408890794 ZJHUWTFKCJMPDK-PKNBQFBNSA-N 342.738 2.712 10 40 EFCB Cc1nc(C)c(S(=O)(=O)N(Cc2ccc(N)cc2)C2CC2)s1 195565783 RVDWHCIFEYASHT-UHFFFAOYSA-N 337.470 2.695 10 40 EFCB Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1ccc(Cl)cc1 96406455 RTOAXZXCJKWIBU-UHFFFAOYSA-N 345.830 2.969 10 40 EFCB Cn1cccc1/C=C1\C(=O)NC(=S)N(c2ccccc2Cl)C1=O 409239992 NVCSYWRQCGCYHM-PKNBQFBNSA-N 345.811 2.510 10 40 EFCB COC(=O)[C@@H](C)N1C(=O)/C(=C/c2cccc(F)c2)SC1=S 1276927 UTJIYQDFMHJHFN-XNYAHFKXSA-N 325.386 2.588 10 40 EFCB COC(=O)c1ccc(/C=C2\SC(=S)N(c3cccnc3)C2=O)o1 58100602 PJTORDVZMIJKQX-GHXNOFRVSA-N 346.389 2.867 10 40 EFCB COc1ccc(-n2c(C)cc(C(=O)CN3CCOCC3)c2C)cc1 19902726 BWUSLCGBOIOOIT-UHFFFAOYSA-N 328.412 2.618 10 40 EFCB O[C@]1(c2ccccc2F)CN(c2ccccc2)C2=[N+]1CCCS2 3226870 LLBQGWTTYSKQIX-SFHVURJKSA-N 329.420 2.996 10 40 EFCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc1 191768 UVCZKEWOLMFWOF-LFIBNONCSA-N 336.347 2.670 10 40 EFCB Cc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c(C)n1C1CCCC1 59109607 ADTAONQQIPYEIL-UHFFFAOYSA-N 329.400 2.654 10 40 EFCB O[C@@]1(c2ccc(F)cc2)CN(c2ccccc2)C2=[N+]1CCCS2 16944855 NZDYXPPETDNQIS-GOSISDBHSA-N 329.420 2.996 10 40 EFCB COc1c2c(cc3c1[C@H](N1CCc4ccccc41)N(C)CC3)OCO2 8792057 QIWSBTSMIPCUPT-FQEVSTJZSA-N 338.407 2.973 10 40 EFCB biogenic CN1CCN([C@H](c2ccccn2)c2ccc3cccnc3c2O)CC1 21486638 BFFBQQGTYYGIFR-IBGZPJMESA-N 334.423 2.672 10 40 EFCB Cc1cnn([C@H](C)[C@H](C)NCc2ccc(N3CCOCC3)c(F)c2)c1 69459649 IIONPCPZRZFWPS-JKSUJKDBSA-N 346.450 2.907 10 40 EFCB CCn1cc([C@H]2OCC[C@@H]2CNCc2ccc3c(c2)CCO3)cn1 83843518 JZWPVZAKHBBEQP-APWZRJJASA-N 327.428 2.705 10 40 EFCB CC[C@H](C(=O)O)N1C(=O)/C(=C/c2cccc(OC)c2)SC1=S 5373595 JTCNRHMRKKQZJY-HQQGHWSLSA-N 337.422 2.760 10 40 EFCB C[C@H]1Oc2ccccc2O[C@@H]1C(=O)N(C)Cc1ccc(N(C)C)cc1 36650465 FAGNOAVQEHGLIS-KUHUBIRLSA-N 340.423 2.940 10 40 EFCB Cc1ccc(CNCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)o1 54179221 KKUBPMPRZDBVDZ-MRXNPFEDSA-N 327.428 2.580 10 40 EFCB COc1ccc(N2CCCN(Cc3ncc(Cl)n3C)CC2)cc1 52466117 OIJRQLUNVJTBGW-UHFFFAOYSA-N 334.851 2.794 10 40 EFCB CN(C)c1cccc(CNCc2ccc(N3CCOCC3)cc2)c1 75584067 PBSLCCQXAWHMHI-UHFFFAOYSA-N 325.456 2.879 10 40 EFCB CCN1C(=O)/C(=C/c2cc(OC)c(O)c([N+](=O)[O-])c2)SC1=S 35073638 FHQPWGMNBBZSSU-POHAHGRESA-N 340.382 2.530 10 40 EFCB CCc1cc(=O)oc2c(CNC[C@H]3CCCO3)c(O)c(Cl)cc12 20588716 UDKPTXFUWXHKSJ-LLVKDONJSA-N 337.803 2.983 10 40 EFCB CCc1ccccc1NC(=O)C(=O)N[C@H](C)c1cc(OC)ccc1O 69699000 GXLVFLMZRUWOEA-GFCCVEGCSA-N 342.395 2.779 10 40 EFCB O=C1C(=O)[C@@](Br)(c2ccccc2)C(=O)[C@H]1c1ccccc1 1722470 IBGCUUFUSPBCOE-SUMWQHHRSA-N 343.176 2.782 10 40 EFCB COc1cc(Cl)c(C)cc1NC(=O)C[C@H]1SC(=S)NC1=O 34926818 GJCSAJZBSXTSNV-SNVBAGLBSA-N 344.845 2.502 10 40 EFCB Cc1ccc(C(=O)NC2(N3CCCC3)C(=O)c3ccccc3C2=O)cc1 226297451 HHUZUDIHXPOPMW-UHFFFAOYSA-N 348.402 2.596 10 40 EFCB O=C(NC[C@@H]1CCCO1)N(Cc1ccco1)Cc1ccccc1O 60063940 VXUKTKUODISPEL-HNNXBMFYSA-N 330.384 2.876 10 40 EFCB Cc1cc(/C=C2/C(=O)N(Cc3ccco3)C(=O)N=C2O)c(C)n1C 2976942 QVLSRGJWCRBMDD-RIYZIHGNSA-N 327.340 2.737 10 40 EFCB Cc1cc(NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)on1 65541414 NSOUTUBEXXLKTC-CQSZACIVSA-N 331.372 2.902 10 40 EFCB O=C(NN1C(=O)/C(=C\c2cccs2)SC1=S)c1cccnc1 5376122 ICEBWZPOFRUNSX-YRNVUSSQSA-N 347.446 2.689 10 40 EFCB Fc1cc(CNC[C@@H]2CCCn3ccnc32)ccc1N1CCOCC1 89768333 UAGNGOJOGCNOGG-INIZCTEOSA-N 344.434 2.526 10 40 EFCB COc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)c(C)c1C 74935904 IRONXARBPHRWED-UHFFFAOYSA-N 335.381 2.842 10 40 EFCB Oc1ccccc1CN1CCc2nc(-c3cccnc3)nc(O)c2C1 12121947 DIPZJOSXDUXNGN-UHFFFAOYSA-N 334.379 2.508 10 40 EFCB COC(=O)/C=C1/SC(c2c(-c3ccccc3)noc2C)=NC1=O 16948768 QESRIYXISFDIPJ-DHZHZOJOSA-N 328.349 2.727 10 40 EFCB COC(=O)c1cc(NS(=O)(=O)c2ccc(Cl)cc2)ccc1O 1006541 PHJJSOMVRSUBDT-UHFFFAOYSA-N 341.772 2.633 10 40 EFCB Cc1ccc(C2=NN(C(=O)CCC(=O)O)[C@H](c3ccccc3O)C2)o1 80316116 MCCAOKMALDFUMD-AWEZNQCLSA-N 342.351 2.836 10 40 EFCB CC(C)[C@H](NC(=O)NCc1ccc(N(C)C)cc1)c1nccn1C 32932999 FVVIPAJHCMVHEH-INIZCTEOSA-N 329.448 2.683 10 40 EFCB COC(=O)c1ccccc1/N=N/c1c(=O)[nH]n2c(C)cc(C)nc12 6281422 BAXRBJNKSNOKRO-VHEBQXMUSA-N 325.328 2.841 10 40 EFCB COc1ccc(N2CCCN(C(=O)Cc3ccc(C)nc3)CC2)cc1 55878643 FSWFLFUXJSBTED-UHFFFAOYSA-N 339.439 2.680 10 40 EFCB Cc1cc(Br)c(O)c(CN(C)[C@@H](C)C[S@@](C)=O)c1 108395029 SVCYASXJMBMBJR-YPMLDQLKSA-N 334.279 2.662 10 40 EFCB CCCN(Cc1ccccc1O)C(=O)CCNC(=O)C1CCCC1 69458316 HKEMLTCHQWZBDU-UHFFFAOYSA-N 332.444 2.827 10 40 EFCB COCCN1C(=O)[C@@H](Cc2ccc(OC)c(Cl)c2)SC1=S 8104715 WGSWASKPDXCYPI-GFCCVEGCSA-N 345.873 2.766 10 40 EFCB Cc1c2c(c(C)c3c1C(=O)c1cc4c(cc1C3=O)OCO4)OC(C)O2 5759658 LFEWUYQOXPHWBS-UHFFFAOYSA-N 338.315 2.925 10 40 EFCB CS[C@H](C)CC(=O)N[C@H](C)c1ccc(N2CCN(C)CC2)cc1 97021860 MJKUIZKJTOBVQP-HUUCEWRRSA-N 335.517 2.757 10 40 EFCB COc1ccccc1/C=C1\SC(=S)N(CCCC(=O)O)C1=O 12504553 BTCMQQGKQFZTRR-XFXZXTDPSA-N 337.422 2.761 10 40 EFCB CCCCNC(=O)CN1C(=O)/C(=C\c2cccs2)SC1=S 4745419 PSNRNFRAIYCRHW-DHZHZOJOSA-N 340.495 2.866 10 40 EFCB O=C(O)CCCN1C(=O)/C(=C/c2ccccc2F)SC1=S 4357031 MWZHPCUQVDLZEM-FLIBITNWSA-N 325.386 2.892 10 40 EFCB COCCN(C(=O)/C=C/c1ccccc1[N+](=O)[O-])c1ccncc1 69618854 HFKYIZSUGGANNN-VOTSOKGWSA-N 327.340 2.683 10 40 EFCB O=C(NCC(F)(F)F)N(Cc1ccccc1O)C[C@H]1CCCO1 46915195 DRUGIJFAFPRVDK-GFCCVEGCSA-N 332.322 2.645 10 40 EFCB Cc1cc(C(=O)CSc2nnnn2C)c(C)n1-c1ccc(F)cc1 3350855 HMFFOHAQUJMSID-UHFFFAOYSA-N 345.403 2.732 10 40 EFCB Cc1cc(C(=O)CSc2n[nH]c(N)n2)c(C)n1-c1ccc(F)cc1 3509819 VNMJOLYMTCYMBS-UHFFFAOYSA-N 345.403 2.909 10 40 EFCB COc1ccc(CNCc2ccc(N3CCOCC3)c(F)c2)cc1O 48748703 OJSCWEOSLMANQW-UHFFFAOYSA-N 346.402 2.666 10 40 EFCB Cc1noc(Cl)c1CC(=O)NCCCSc1nccs1 71907635 SFRMVQKUCWQGJU-UHFFFAOYSA-N 331.850 2.934 10 40 EFCB O=C1NC(=S)N/C1=C\c1ccc(-c2cc(C(=O)O)ccc2Cl)o1 2163886 WXCGAGUTTYDFDJ-WDZFZDKYSA-N 348.767 2.643 10 40 EFCB CN1CCN(C(=S)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 5529543 JNCYVQMJFZNWNC-UHFFFAOYSA-N 331.397 2.778 10 40 EFCB CC(C)C1=NN2C(=N)/C(=C\c3ccc4c(c3)OCO4)C(=O)N=C2S1 4616584 DJSMYIGYDPUCPF-SMKKRGQSSA-N 342.380 2.690 10 40 EFCB COc1ccc(N2CCN(C(=O)c3cc(F)cc(F)c3)CC2)cc1 2626824 VCILFSOBHXCABQ-UHFFFAOYSA-N 332.350 2.936 10 40 EFCB COc1ccc2c(c1)CCCN2Cc1cc(=O)n2cccc(C)c2n1 48332594 CYFVGERRDHQIHD-UHFFFAOYSA-N 335.407 2.964 10 40 EFCB CC[C@@H](NC(=O)CCn1c(=O)oc2ccccc21)c1ccccc1O 69698211 BZHKWOFFAMOMGK-CQSZACIVSA-N 340.379 2.958 10 40 EFCB O=C1/C(=C/NC2CC2)C(c2ccccc2)=NN1c1ccc([N+](=O)[O-])cc1 100478114 XESQSKIPDDFPRV-SFQUDFHCSA-N 348.362 2.982 10 40 EFCB CCc1noc(C)c1C(=O)NC1CCN(c2ccc(OC)cc2)CC1 69567403 KISKJRUFUTYIHG-UHFFFAOYSA-N 343.427 2.953 10 40 EFCB c1cc(CCN2CCC(NCc3ccc4c(c3)CCO4)CC2)ccn1 78394239 ABJVZZLJYISSTM-UHFFFAOYSA-N 337.467 2.813 10 40 EFCB COc1ccc(N2CCN([C@H](c3cccs3)[C@@H](C)N)CC2)cc1 21948403 WSUXQQNLLUGNCE-KDOFPFPSSA-N 331.485 2.967 10 40 EFCB CN(Cc1ccc(F)cc1)Cc1cc(=O)oc2cc(O)c(O)cc12 12785788 FXWXTHZTKLWSMU-UHFFFAOYSA-N 329.327 2.975 10 40 EFCB COc1cc2c(cc1OC)C(=O)N(C)[C@H](c1cccc(OC)c1O)N2 30540422 MHUWYDSGACLYFY-QGZVFWFLSA-N 344.367 2.614 10 40 EFCB CC(C)(C)c1cc(CN2CCO[C@@H](C(N)=O)C2)c(O)c(C(C)(C)C)c1 50927576 NTBYYNGMOIRFMR-MRXNPFEDSA-N 348.487 2.673 10 40 EFCB CC(=O)c1c[nH]c(C(=O)NCc2ccc(N3CCSCC3)cc2)c1 54035443 SHDZOTNOVLKARP-UHFFFAOYSA-N 343.452 2.701 10 40 EFCB CN(Cc1ccccc1O)C(=O)[C@H]1CCCCN1Cc1ccncc1 69533529 NWTXBSKHRIYJNN-GOSISDBHSA-N 339.439 2.800 10 40 EFCB CCc1nc2n(n1)C[C@@H](NCc1ccc(N3CCCCC3)cc1)CC2 69922044 KMRUCCDKAOSXQL-KRWDZBQOSA-N 339.487 2.935 10 40 EFCB COC(=O)c1ccc(/C=C2\SC(NC3CCCC3)=NC2=O)cc1 21313874 XIEBPMMEQSISEQ-UVTDQMKNSA-N 330.409 2.976 10 40 EFCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc2c(cc1Cl)OCO2 16102512 AUZSPYBTAQYPEF-SDQBBNPISA-N 342.738 2.530 10 40 EFCB CCCCOc1ccc(NC(=O)C[C@H]2SC(=S)NC2=O)cc1 34926866 ZORGTFRIXXRZOB-GFCCVEGCSA-N 338.454 2.711 10 40 EFCB Oc1ccccc1[C@@H]1Nn2c(COc3ccccc3)nnc2S1 3843187 YEKGUESMRSISNY-OAHLLOKOSA-N 326.381 2.911 10 40 EFCB biogenic CN1C(=O)N/C(=C/c2ccc(-c3cc(C(=O)O)ccc3Cl)o2)C1=O 4739721 QNGXNFRFLNWLNG-KPKJPENVSA-N 346.726 2.821 10 40 EFCB O=C(C[C@H]1SC(=O)N(c2ccccc2)C1=O)Nc1cccnc1 36635238 JZEAJJGWAYYDKJ-CYBMUJFWSA-N 327.365 2.679 10 40 EFCB COC(=O)[C@@H](CCSc1nccs1)NC(=O)OC(C)(C)C 1615610475 HSTDLJOXQLUQNA-SECBINFHSA-N 332.447 2.692 10 40 EFCB C[C@@H]1Cc2cc(/C=C3/SC(=S)N(CCC(=O)O)C3=O)ccc2O1 2346655 QRFKSPGPDDXUED-TVNQGELYSA-N 349.433 2.686 10 40 EFCB CN1CCN(c2ccc(CN3CCOc4ccccc43)cc2F)CC1 96003679 LJASMCUXXQSROT-UHFFFAOYSA-N 341.430 2.977 10 40 EFCB COc1ccc(N2CCO[C@@H]2c2cn(Cc3ccccc3)nn2)cc1 216766042 FOUUAENJJYIGBS-LJQANCHMSA-N 336.395 2.870 10 40 EFCB O=C1NN(c2ccccc2)C(=O)/C1=C/C=C/c1cccc([N+](=O)[O-])c1 332066 KHNBUAMZCRRQDT-LLPGWTFISA-N 335.319 2.612 10 40 EFCB Cc1cc(C(=O)N2CCC(C(N)=O)CC2)c(C)n1-c1ccc(F)cc1 33028058 SSPDKIZXPUVSFO-UHFFFAOYSA-N 343.402 2.571 10 40 EFCB COc1ccccc1/C=C1/C(=N)N2N=C(C(C)C)SC2=NC1=O 4664739 GDEQYYSZNJEKNJ-ZWGDPFMXSA-N 328.397 2.970 10 40 EFCB O=C(O)CCN1C(=O)/C(=C/c2ccc3ncccc3c2)SC1=S 6660403 CTYRHQJYFFIZAW-LCYFTJDESA-N 344.417 2.911 10 40 EFCB COc1ccc(N2CCN(C(=O)c3scnc3Cl)CC2)cc1 71822625 MGMCGRCUNPPGQG-UHFFFAOYSA-N 337.832 2.768 10 40 EFCB CC[C@@H](C)N1C(=O)/C(=C\Nc2ccc3c(c2)CCC3)C(=O)NC1=S 101090234 FMQLGFVETYUARP-MKVLZVNKSA-N 343.452 2.513 10 40 EFCB COC(=O)C1=C(C)N(C[C@@H]2CCCO2)C(=O)/C1=C\c1cccs1 4702998 WVXZFFVVLWFFLS-CJAAZZPWSA-N 333.409 2.600 10 40 EFCB O=[N+]([O-])c1cccc(-c2nnc3n2N[C@@H](c2ccccc2O)S3)c1 3843202 WHFYITASEOGZSV-CQSZACIVSA-N 341.352 2.907 10 40 EFCB biogenic COc1ccc(N2CCN(C(=O)[C@H](OC)c3ccccc3)CC2)cc1 77925228 PYBLTVUOKFQLJK-LJQANCHMSA-N 340.423 2.732 10 40 EFCB CN(C)c1ccc(CNC(=O)c2c(Cl)nc3ccccn23)cc1 47296468 IUDVCMQHIXOJGK-UHFFFAOYSA-N 328.803 2.984 10 40 EFCB COc1ccc(N(CCCS(C)(=O)=O)Cc2ccco2)cc1F 96417473 SYSSCLAGNULLDC-UHFFFAOYSA-N 341.404 2.869 10 40 EFCB O=C1NC(=O)C(=Cc2ccc(Sc3ccccc3Cl)o2)C(=O)N1 5028545 ZYPWHRJOUXLMBU-UHFFFAOYSA-N 348.767 2.834 10 40 EFCB CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2ccncc2)cc1 12553080 ZEYUCZRXZBBDPD-LJQANCHMSA-N 339.439 2.969 10 40 EFCB O=C(NCc1ccccc1O)Nc1ccccc1CN1CCOCC1 65531366 IELOJOQIFONOOP-UHFFFAOYSA-N 341.411 2.546 10 40 EFCB Cc1ccc2c(c1)/C(=C/c1nc3ccccc3c(=O)n1C)C(=O)N2C 4547784 XXQVNQSZSZBWAO-PTNGSMBKSA-N 331.375 2.759 10 40 EFCB CCOc1ccc(/C=C2\C(=O)NN(c3ccccc3)C2=O)cc1OC 436825 IBXAHTBVZLSCMC-RVDMUPIBSA-N 338.363 2.555 10 40 EFCB COc1ccc2c(c1OC)C(=O)O[C@H]2CC(=O)c1ccc(O)c(O)c1 118483 WBAWUASZGVESNJ-HNNXBMFYSA-N 344.319 2.600 10 40 EFCB Cc1cc(N2CCCCC2)ccc1CN1C[C@@H]2C[C@@H](O)CN2C[C@@H]1C 19570604 UOSCXJFIWFRPPX-DZFGPLHGSA-N 343.515 2.625 10 40 EFCB O=C1N=C(NC(=O)c2ccc(F)cc2)S/C1=C\c1cccnc1 5374390 BZTCFFBZJFWFOM-JYRVWZFOSA-N 327.340 2.621 10 40 EFCB CC1=C(C(=O)OCCC(C)C)[C@@H](c2ccc(N(C)C)cc2)NC(=O)N1 194877 NNGQKJLBIOVBIJ-QGZVFWFLSA-N 345.443 2.970 10 40 EFCB CCCOc1ccc(/C=C2/SC(N3CCN(C)CC3)=NC2=O)cc1 20439879 ONONHODIYUOECH-DTQAZKPQSA-N 345.468 2.693 10 40 EFCB C[C@H](CO)NC(=O)C(=O)Nc1ccc(/N=N/c2ccccc2)cc1 32937353 DOXGMPBIBZVASK-PNMKSJJBSA-N 326.356 2.538 10 40 EFCB O=C1OC(c2ccccc2)=N/C1=C\c1ccc(N2CCOCC2)cc1 5446847 AAKUTYZDGWMSBY-JXAWBTAJSA-N 334.375 2.868 10 40 EFCB O=c1oc2c(CN3CCOCC3)c(O)c(Cl)cc2c2c1CCCC2 20132307 INRMSLZELQFEHY-UHFFFAOYSA-N 349.814 2.863 10 40 EFCB aggregator NC(=O)CCCCCN1C(=O)/C(=C/c2ccccc2)SC1=S 1908781 NZJBTPCIQDLCHE-QBFSEMIESA-N 334.466 2.934 10 40 EFCB CCCN(Cc1ccccc1O)C(=O)CCCNC(=O)c1ccco1 69485530 DDVUAHOFVHEIGT-UHFFFAOYSA-N 344.411 2.934 10 40 EFCB CCN1C(=O)N=C(O)/C(=C\c2cc(C)n(C[C@H]3CCCO3)c2C)C1=O 59109285 OSBQWOSUJVNYJK-UWZYDCLUSA-N 345.399 2.606 10 40 EFCB COC(=O)c1ccc([C@@H](C)N2CCN(c3ccc(OC)cc3)CC2)o1 32825161 JWTNWVJWGXRAEX-CQSZACIVSA-N 344.411 2.958 10 40 EFCB CCOC(=O)c1cc(NS(=O)(=O)c2ccccc2C)ccc1O 365554 QGCTVRYSBWWPIN-UHFFFAOYSA-N 335.381 2.678 10 40 EFCB O=C(O)[C@H]1Nc2c(I)cccc2[C@@H]2C=CC[C@H]12 101638885 CNQHYGCDWZHJEN-DXBFQKDVSA-N 341.148 2.830 10 40 EFCB Cc1cccc(/C=C2\SC(=S)N(CCN3CCOCC3)C2=O)c1 14197669 GGSXXLGDMGMPJA-QINSGFPZSA-N 348.493 2.528 10 40 EFCB Nc1ccc(OCc2n[nH]c(-c3ccc(Br)o3)n2)cc1 62719594 VQMGMIPEEJEZCQ-UHFFFAOYSA-N 335.161 2.988 10 40 EFCB Cc1c([C@@H](C)NC(=O)NCc2ccc(N3CCCC3)cc2)cnn1C 41405150 JMAACRMBNQZQJA-CQSZACIVSA-N 341.459 2.889 10 40 EFCB CC(=O)Nc1ccc(/C=C2/C(=O)NN(c3ccc(C)c(C)c3)C2=O)cc1 32099689 GSGDMQAZMDOZEE-WQRHYEAKSA-N 349.390 2.723 10 40 EFCB C[C@@H](NC(=O)CSc1ncc(-c2ccccc2)n1C)[C@@H]1CCCO1 65542134 IBVJLDONDMDGRY-CJNGLKHVSA-N 345.468 2.863 10 40 EFCB COc1cccc(/C=C2\C(=O)NN(c3cccc(Cl)c3)C2=O)c1O 48782 XVVROJGKYJFUPK-MDWZMJQESA-N 344.754 2.516 10 40 EFCB CN(C)c1ccc(/C=C/C=C2/SC(=S)N(CC(=O)O)C2=O)cc1 3044343 UEFJVVWELVDTBQ-HJSZHNSDSA-N 348.449 2.595 10 40 EFCB O=C1NC(=O)N(c2cccc(F)c2)C(=O)/C1=C/C=C/c1ccco1 506895 ADIAHUJSBVIDEF-BOAPOFAJSA-N 326.283 2.641 10 40 EFCB CCCOC(=O)CN1C(=O)/C(=C\c2cccs2)SC1=S 6073074 UUHCJKXXPINQIG-JXMROGBWSA-N 327.452 2.903 10 40 EFCB O=C(c1ccccc1)c1ccccc1NCc1nnc2n1CCOC2 252484106 FOVZFIMWQVKTNU-UHFFFAOYSA-N 334.379 2.651 10 40 EFCB COc1cccc(CNC(=O)C(=O)Nc2cc(Cl)ccc2C)c1O 77837693 KIEKVUUZVJPZFF-UHFFFAOYSA-N 348.786 2.618 10 40 EFCB CN(C)c1cc(C(F)(F)F)nc(NCc2cccc(O)c2O)n1 1616037366 JFMCBNJIKZVKBF-UHFFFAOYSA-N 328.294 2.585 10 40 EFCB Cc1nonc1/N=N/N(Cc1cccc([N+](=O)[O-])c1)c1nonc1C 8443081 ZASAKFNXAODSFI-XMHGGMMESA-N 344.291 2.683 10 40 EFCB CCn1cc([C@@H]2OCC[C@H]2CNCc2ccc3c(c2)CCO3)cn1 83843517 JZWPVZAKHBBEQP-QFBILLFUSA-N 327.428 2.705 10 40 EFCB CC(C)(C)OC(=O)N1CCN(Cc2cc3c(cc2O)CCC3)CC1 32869478 OBMWLELMIJHLOM-UHFFFAOYSA-N 332.444 2.934 10 40 EFCB Cc1ccc(N2C(=O)/C(=C/c3ccncc3)C(=O)NC2=S)cc1C 408818093 XWHBAMUUHCIBNY-XNTDXEJSSA-N 337.404 2.530 10 40 EFCB CN1CCN(c2ccc(CNC(=O)NC3CCCCC3)cc2)CC1 49740649 SGCPWQLDSUKXLR-UHFFFAOYSA-N 330.476 2.570 10 40 EFCB COc1cccc(N2C(=O)/C(=C\c3cccn3C)C(O)=NC2=S)c1 1293579 XVTMRJHCBVHOCE-UVTDQMKNSA-N 341.392 2.705 10 40 EFCB COc1ccc(NC(=O)[C@]23CC[C@@](C)(C(=O)C2=O)C3(C)C)c(OC)c1 101220937 QVEVHQCZVPQXSZ-OALUTQOASA-N 345.395 2.607 10 40 EFCB CCN(CC)c1ccc([C@@H]2NC(=O)N(C)C(C)=C2C(=O)OC)cc1 3110927 MSNKNZMXXMEPIY-INIZCTEOSA-N 331.416 2.676 10 40 EFCB CC[C@H](C(=O)O)N1C(=O)/C(=C/c2ccccc2OC)SC1=S 2237007 OUGYQLWAOAEYQU-BKLZJWBFSA-N 337.422 2.760 10 40 EFCB Cc1cn(C)nc1CN[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 1560328902 MWCSGKOBEAFSFD-INIZCTEOSA-N 348.878 2.842 10 40 EFCB C[n+]1cccc(/C=C/[C@]23NC(=O)CCN2c2ccccc2C3(C)C)c1 6202281 FGVJOCLRUDDKQB-ACUNGTFPSA-O 334.443 2.538 10 40 EFCB CC(=O)NCCC(=O)NCc1ccc(N(C)C2CCCCC2)cc1 58282214 YXHISMSIJYZUSJ-UHFFFAOYSA-N 331.460 2.598 10 40 EFCB CCN(CC)c1ccc(C=C2C(=O)OC3(CCCC3)OC2=O)c(O)c1 408769773 ORNXLRWMQBAJEG-UHFFFAOYSA-N 345.395 2.992 10 40 EFCB CN(C)c1ccc(/C=C2/C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)o1 59135085 UUYIEBBHUIJPEX-UKTHLTGXSA-N 343.314 2.991 10 40 EFCB Cn1cccc1/C=C1/SC(Nc2cccc(C(=O)O)c2)=NC1=O 20227119 DZEXGDVKWNJYJF-UKTHLTGXSA-N 327.365 2.806 10 40 EFCB CCOc1ccc(CN[C@H]2CCCC[C@@H]2S(C)(=O)=O)cc1C 95985024 FFKAWIJXYVVERN-RDJZCZTQSA-N 325.474 2.839 10 40 EFCB O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccon1 96431771 LEICLVJHDQGHEX-NSHDSACASA-N 337.326 2.675 10 40 EFCB Cc1cc(C)n(C2CCN(Cc3ccc(N(C)CCO)cc3)CC2)n1 19656852 BVNUQRTWBNJMKI-UHFFFAOYSA-N 342.487 2.766 10 40 EFCB COc1ccc(N2CCN(C(=O)c3cc(C4CC4)on3)CC2)cc1 41452837 NVFIVJZHYJNDTD-UHFFFAOYSA-N 327.384 2.523 10 40 EFCB CN1CCCc2cc(CNC(=O)c3ccc(-n4cnnc4)cc3)ccc21 69483929 VOEISBCZUCYACE-UHFFFAOYSA-N 347.422 2.580 10 40 EFCB O=S(=O)(Cc1ccccc1F)NCCCSc1nccs1 69660474 CNRZCRLDCAVGTL-UHFFFAOYSA-N 346.474 2.884 10 40 EFCB COCCCN1C(=O)/C(=C\c2ccccc2F)C(C(=O)OC)=C1C 4169911 HRLSHTTYQTZRDC-KAMYIIQDSA-N 333.359 2.535 10 40 EFCB COc1ccc(N2C[C@](O)(c3ccccc3)[N+]3=C2SCCC3)cc1 425729 NVQNLNRNHXUJBS-IBGZPJMESA-N 341.456 2.866 10 40 EFCB CN(C)c1ccc([C@H](CNC(=O)c2ccc(F)cc2)N(C)C)cc1 5097726 MVYWYFJZNVPXAP-SFHVURJKSA-N 329.419 2.924 10 40 EFCB O=C(NCc1ccc(N2CCCC2)cc1)[C@H]1COc2ccccc2O1 10113581 YYCBANLGFUTDLF-LJQANCHMSA-N 338.407 2.743 10 40 EFCB CCCC(=O)N1CCC[C@@H](C(=O)NCc2ccc(N(C)C)cc2C)C1 75139746 TUMZBOQKXFEYOC-QGZVFWFLSA-N 345.487 2.716 10 40 EFCB Cc1ccccc1CN1CCN(Cc2cc3c(cc2O)OCO3)CC1 22815133 IFAZNLLLZKCDTQ-UHFFFAOYSA-N 340.423 2.747 10 40 EFCB O=c1cc(-c2ccccc2)c2cc(Cl)c(O)c(CNCCO)c2o1 13693100 QKLDYFCKBHSESF-UHFFFAOYSA-N 345.782 2.901 10 40 EFCB CCN(CC)c1ccc(CNC(=O)c2ccc(C)[nH]c2=O)cc1F 66841445 MOJHOMORDZGRAW-UHFFFAOYSA-N 331.391 2.599 10 40 EFCB CCOC(=O)CN1C(=O)/C(=C/c2cccc(F)c2)SC1=S 1277075 SYNHGXGOXUGDAJ-XFFZJAGNSA-N 325.386 2.590 10 40 EFCB COC(=O)c1oc(CN2CCN(c3ccc(OC)cc3)CC2)cc1C 32825166 VPHNALWJLSFWJI-UHFFFAOYSA-N 344.411 2.705 10 40 EFCB CN1C(=O)NC(=O)/C(=C\c2ccc(-c3ccc(Cl)cc3)o2)C1=O 447250 VFUPDCOOIRUUAB-XYOKQWHBSA-N 330.727 2.692 10 40 EFCB CN(CCO)c1ccc([C@@H]2Nc3ccccc3C(=O)N2C2CC2)cc1 7886346 IVDQYWCICRLNDV-LJQANCHMSA-N 337.423 2.844 10 40 EFCB CC(=O)Nc1cccc(OCCNCc2ccc3c(c2)CCO3)c1 78552572 PRYHKKLGPSJFHY-UHFFFAOYSA-N 326.396 2.749 10 40 EFCB Cc1noc2ncc(C(=O)NCc3ccc(N(C)C)c(F)c3)cc12 58731500 DGCLMZCWPDTKGQ-UHFFFAOYSA-N 328.347 2.666 10 40 EFCB COc1ccc(N(C)CCNC(=S)Nc2cccc(C)n2)cc1 225799430 OIIDRJDYJFMATN-UHFFFAOYSA-N 330.457 2.821 10 40 EFCB COc1ccc(Cl)cc1-n1c(C)cc(/C=C2\NC(=O)NC2=O)c1C 15226962 ACFJEAOTGJWNKB-QPEQYQDCSA-N 345.786 2.936 10 40 EFCB CC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(F)cc2)SC1=S 1795833 JKWRWKBRCJRSKM-QBQSQJOESA-N 325.386 2.890 10 40 EFCB Cc1cc(/C=C2/NC(=O)N(C)C2=O)c(C)n1-c1cccc([N+](=O)[O-])c1 409189690 NDLUFVIHBVVKAK-OVCLIPMQSA-N 340.339 2.525 10 40 EFCB CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccsc2)C1=O 409234707 XLIKFHRSEPSKLH-FMIVXFBMSA-N 342.376 2.813 10 40 EFCB O=C1/C(=C/c2ccc([N+](=O)[O-])o2)SC(=S)N1C[C@@H]1CCCO1 16790760 VOIPRRYEUCRRTI-LKJZUNMESA-N 340.382 2.568 10 40 EFCB O=S(=O)(Nc1nc2c(s1)COc1ccccc1-2)c1cccnc1 79901001 HUMFDVVKUYMMPH-UHFFFAOYSA-N 345.405 2.898 10 40 EFCB O=C1N=C(O)/C(=C/c2ccc(O)c(O)c2)C(=O)N1c1ccc(F)cc1 8742885 MKNIVHULQGCZFQ-GHXNOFRVSA-N 342.282 2.744 10 40 EFCB O=C1NC(=S)NC(=O)C1=Cc1c2ccccc2cc2ccccc12 328097 QYUAPEUSPFYTFM-UHFFFAOYSA-N 332.384 2.907 10 40 EFCB CC(=O)NN1C(=O)/C(=C/C2=Cc3ccccc3O[C@H]2C)SC1=S 102730325 QTNYEVWMYIRKBT-JNNKLVPLSA-N 346.433 2.646 10 40 EFCB COc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1Cl 409403604 AEYNCZHFIWGBOA-LCYFTJDESA-N 328.755 2.810 10 40 EFCB O=C1N=C(O)/C(=C\c2cccs2)C(=O)N1c1ccc2c(c1)OCO2 5017893 KJZKBSOEYAJTRZ-YRNVUSSQSA-N 342.332 2.984 10 40 EFCB CN(C)CCCNc1c2ccccc2[n+]([O-])c2cccc([N+](=O)[O-])c12 5493358 ZSAPXVXHFFLXCL-UHFFFAOYSA-N 340.383 2.898 10 40 EFCB CCCCN/C(C)=C1\C(=O)N(c2ccccc2)N=C1CC(=O)OC 17067489 FNQWWMYDBIHDRW-LGMDPLHJSA-N 329.400 2.616 10 40 EFCB O=C1N=C(NC2CCCC2)S/C1=C\c1nccn1CC(F)(F)F 58304515 NGCDCSIXCLVHNJ-YFHOEESVSA-N 344.362 2.948 10 40 EFCB COc1ccc(NC(=O)[C@@]23CC[C@](C)(C(=O)C2=O)C3(C)C)c(OC)c1 101220930 QVEVHQCZVPQXSZ-RTBURBONSA-N 345.395 2.607 10 40 EFCB CCCCCCOc1ccccc1C=C1C(=O)NC(=S)NC1=O 408737707 VRDPIRJMFROQEE-UHFFFAOYSA-N 332.425 2.560 10 40 EFCB O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/Nc1ccc(Cl)cc1 16488305 AJFBGARPDQIPDR-GXDHUFHOSA-N 341.754 2.919 10 40 EFCB O=[N+]([O-])c1ccc(O)c(CNCc2ccc(N3CCCCC3)nc2)c1 71792529 SKHUOIJFXMKUTK-UHFFFAOYSA-N 342.399 2.976 10 40 EFCB CN(CCNC(=S)Nc1ccc2c(c1)OCO2)c1ccccc1 225570611 UANIWICKRHKQBY-UHFFFAOYSA-N 329.425 2.838 10 40 EFCB O=C(C[C@@H]1SC(=S)NC1=O)Nc1ccc(Cl)cc1Cl 34926789 BSRCVEJKXNEALK-QMMMGPOBSA-N 335.237 2.839 10 40 EFCB COc1ccc(N2CCN(C(=O)c3cc4ccccn4c3)CC2)cc1 33138704 FBIOQUQXDZXMGB-UHFFFAOYSA-N 335.407 2.910 10 40 EFCB Cc1ccc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)s1 86675 KBIIPVNYIYXFOH-FLIBITNWSA-N 330.340 2.862 10 40 EFCB CCCC(=O)N1CCC[C@H](C(=O)N[C@H](C)c2cc(OC)ccc2O)C1 69845751 UFXQZARWUQOSCO-KGLIPLIRSA-N 348.443 2.617 10 40 EFCB C1CCN(c2nonc2/N=N\c2nonc2N2CCCCC2)CC1 17207109 VKPIOTOLLHKQJJ-NXVVXOECSA-N 332.368 2.849 10 40 EFCB COC(=O)c1ncc(Br)cc1OCc1ccc(N)cc1 575423193 LGSMXRROVRAQDQ-UHFFFAOYSA-N 337.173 2.792 10 40 EFCB CN(C(=O)c1ccc(O)c(O)c1)C1CCN(c2ccc(F)cc2)CC1 95997794 KXHYZWSPMFOYOH-UHFFFAOYSA-N 344.386 2.978 10 40 EFCB Cc1cccc2c1N[C@H](c1ccc(N3CCOCC3)c(F)c1)NC2=O 66969616 WLDIJOXYRRICHC-SFHVURJKSA-N 341.386 2.825 10 40 EFCB CC(C)Cc1noc(CN(C)Cc2ccc(N3CCOCC3)cc2)n1 69370826 UFEQWKGXQFYCHE-UHFFFAOYSA-N 344.459 2.737 10 40 EFCB CCCC[C@H](C(=O)O)N1C(=O)/C(=C\c2cccnc2)SC1=S 27530385 SAOQWLLQSLKEOS-OYGDSYQHSA-N 336.438 2.926 10 40 EFCB CCN1C(=O)C(=Cc2cc(C)n(CC)c2C)C(=O)N(CC)C1=S 409093597 BBYQAXUBCNQATF-UHFFFAOYSA-N 333.457 2.504 10 40 EFCB CCOC(=O)CCN1C(=O)/C(=C/c2cccs2)SC1=S 1217692 UHWWCKXTUHQBLO-NTMALXAHSA-N 327.452 2.903 10 40 EFCB Cc1cccc(N2C(=O)NC(=O)/C(=C/NCc3ccccc3)C2=O)c1C 5752404 KCGMMANEICWNNT-VBKFSLOCSA-N 349.390 2.560 10 40 EFCB Cc1cc(CNC(=O)CN(C)C(=O)c2cccs2)ccc1N(C)C 69842642 JOQQPJHSBKGYNJ-UHFFFAOYSA-N 345.468 2.511 10 40 EFCB CC1(C)Cc2cccc(/C=C3\SC(N4CCOCC4)=NC3=O)c2O1 78022876 LOKWMTDEQLKDJH-UVTDQMKNSA-N 344.436 2.703 10 40 EFCB CCN1C(=O)C(=Cc2ccccc2OC(C)C)C(=O)N(CC)C1=S 408605126 WXRSMEVJUCWAEV-UHFFFAOYSA-N 346.452 2.853 10 40 EFCB Cc1oc2c(c1C(=O)NCc1cccnc1)C(=O)c1ccccc1C2=O 37867960 HSYUWLOZMGPYKC-UHFFFAOYSA-N 346.342 2.688 10 40 EFCB in-vivo O=C(O)CN1C(=O)/C(=C\c2ccc3ccccc3n2)SC1=S 1601176 PLONLYDWXJIJTK-KPKJPENVSA-N 330.390 2.521 10 40 EFCB COCC(=O)N(Cc1ccc(N(C)C)cc1)c1ccc(OC)cc1 69738860 FRBPOVRMRYJJOI-UHFFFAOYSA-N 328.412 2.941 10 40 EFCB COc1ccc(-n2cccc2/C=C2/C(=O)NC(=O)N=C2O)cc1Cl 20210138 GSLOUHIRKLQWQE-UHFFFAOYSA-N 345.742 2.729 10 40 EFCB CCOc1cccc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)c1 408884667 VGYVHLLKCCYJLX-FOWTUZBSSA-N 336.347 2.752 10 40 EFCB C[C@@H](CC(=O)NCc1ccc(N(C)C)cc1)NC(=O)c1ccccc1 15135193 BIJRYWIZFQOILU-HNNXBMFYSA-N 339.439 2.577 10 40 EFCB Cc1cc(C(=O)N2[C@H]3CC[C@H]2CC(=O)NC3)c(C)n1-c1ccccc1 101458364 VQAZUOLYZLFWRT-IRXDYDNUSA-N 337.423 2.587 10 40 EFCB CC[C@@H](C)N1C(=O)/C(=C/Nc2ccc3c(c2)CCC3)C(=O)NC1=S 13757956 FMQLGFVETYUARP-HGLKBHAMSA-N 343.452 2.513 10 40 EFCB CCn1cc([C@@H]2OCC[C@@H]2CNCc2ccc3c(c2)CCO3)cn1 83843519 JZWPVZAKHBBEQP-VQIMIIECSA-N 327.428 2.705 10 40 EFCB O=C1CSC(=S)N1c1ccccc1I 5771973 JJGFJDQDCFXISB-UHFFFAOYSA-N 335.191 2.656 10 40 EFCB COc1ccc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc1C(C)(C)C 16323021 YFRIAQWEILPFAP-UHFFFAOYSA-N 346.452 2.591 10 40 EFCB CC(=O)N[C@H](CC(=O)NCc1ccc(N(C)C)cc1)c1ccccc1 8170985 WNBYEJVKILQSNR-LJQANCHMSA-N 339.439 2.636 10 40 EFCB COc1ccc(/C=C2\C(=O)NN(c3cccc(Cl)c3)C2=O)cc1 344843 HJNHBTUPGKWFQR-OQLLNIDSSA-N 328.755 2.810 10 40 EFCB COc1cccc(N2C(=O)NC(=O)/C(=C\C=C\c3ccco3)C2=O)c1 85990 UNEUCEBISLGIQR-AYRRQIOMSA-N 338.319 2.511 10 40 EFCB O=C1N=C(O)/C(=C/NN2CCCCCC2)C(=O)N1c1ccccc1F 34236838 MOZTYRDVTSSDQD-QXMHVHEDSA-N 346.362 2.513 10 40 EFCB COc1ccc(N2CCN(C(=O)c3ccc(N)c(C)c3)CC2)cc1 256055259 ZYDHBOSQZIOSRG-UHFFFAOYSA-N 325.412 2.548 10 40 EFCB COc1ccc(N(C)Cc2nc3ccsc3c(=O)[nH]2)cc1OC 67984584 RNKGAAXZMPRWLN-UHFFFAOYSA-N 331.397 2.638 10 40 EFCB Oc1ccccc1CNC1(Cc2cc(-c3ccccn3)on2)COC1 67898278 JKYIZNOWMGDZBB-UHFFFAOYSA-N 337.379 2.544 10 40 EFCB biogenic,in-vitro COc1cc(Br)cc(CNCCc2ccccn2)c1O 69656703 PPXIGNHQVPONBD-UHFFFAOYSA-N 337.217 2.891 10 40 EFCB Cc1ccc(C)n1-c1ccc(C(=O)OCC(=O)N2CCCC2)cc1 3433940 MTHXXDHEXAKZQN-UHFFFAOYSA-N 326.396 2.873 10 40 EFCB N=C1/C(=C/c2ccc(O)cc2)C(=O)N=C2SC(C(F)(F)F)=NN12 13939883 YSYOUYKOGRQXMB-PVQOWZLTSA-N 340.286 2.574 10 40 EFCB C[C@@H]1CC[C@@H]2[C@@H](O1)c1cc(O)c(CN(C)CCO)cc1OC2(C)C 257228311 FTJJLAJNXOSQOS-DWQUBVKVSA-N 335.444 2.844 10 40 EFCB Cn1cccc1/C=C1/SC(Nc2ccc(C(=O)O)cc2)=NC1=O 20227121 YRWJXUSRWGTEJC-UKTHLTGXSA-N 327.365 2.806 10 40 EFCB CCCC[C@H](C(=O)O)N1C(=O)/C(=C/c2ccncc2)SC1=S 4193755 PQOKULPJJBJEDO-ZGSOTFDTSA-N 336.438 2.926 10 40 EFCB CC[C@H](C)[C@H](C(=O)O)N1C(=O)/C(=C\c2ccco2)SC1=S 5373818 RZROLVPZECBAGU-HYVKJMSASA-N 325.411 2.980 10 40 EFCB COc1ccc(/C=C2\SC(=S)N(CN3CCCC3)C2=O)cc1 59475379 QMCZJCRWBJQASO-UVTDQMKNSA-N 334.466 2.950 10 40 EFCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc2c(c1)n(C)c(=O)n2C 108422600 POQVFMRYCXHDBT-LFIBNONCSA-N 346.390 2.683 10 40 EFCB C[C@@H](NC(=O)c1ccc(O)c(O)c1)c1cnn(Cc2ccccc2)c1 97235689 BMKJAHCSZAQHKP-CYBMUJFWSA-N 337.379 2.834 10 40 EFCB COc1ccc(N2CCN(C(=O)c3ccc(C)c(OC)c3)CC2)cc1 7850435 BAJMKCIBKFSRKA-UHFFFAOYSA-N 340.423 2.975 10 40 EFCB CC[C@@H](NC1CCN(C(=O)c2cnccn2)CC1)c1ccccc1O 156642071 UCFNHDKTCYRLNG-MRXNPFEDSA-N 340.427 2.528 10 40 EFCB COc1cccc(C(=O)C(=O)c2cccc(OC)c2OC)c1OC 1634068 WTYIINHUZYFNMM-UHFFFAOYSA-N 330.336 2.787 10 40 EFCB O=C1N=C(N2CCN(c3ccccc3)CC2)S/C1=C\c1ccc[nH]1 8436156 CJHZOCJJYMEGOF-SSZFMOIBSA-N 338.436 2.807 10 40 EFCB NC1=NN(c2ccccc2)C(=O)/C1=C/n1c(=S)[nH]c2ccccc21 5593380 LXXGFRGUJNOZAC-ZRDIBKRKSA-N 335.392 2.859 10 40 EFCB O=C1N=C(O)/C(=C/NN2CCCCC2)C(=O)N1c1ccccc1Cl 8656537 VWMYPSYUGGKKJG-KHPPLWFESA-N 348.790 2.638 10 40 EFCB O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\Nc1ccccc1 5660501 QUNOOVCDJJFFRC-UVTDQMKNSA-N 341.754 2.919 10 40 EFCB COc1ccc(N2C(=O)N=C(O)/C(=C/c3ccc(O)cc3)C2=O)cc1 9065368 PCEIKQLOBZROLW-GDNBJRDFSA-N 338.319 2.908 10 40 EFCB Cc1ccc(-c2csc(NS(=O)(=O)c3cn(C)cn3)n2)cc1 66247321 RYTYASMEOWQMHW-UHFFFAOYSA-N 334.426 2.653 10 40 EFCB CCCCN1C(=O)NC(=O)/C(=C/N[C@H]2C[C@H]3CC[C@@]2(C)C3(C)C)C1=O 101254400 CZDQBOZKBPDLHX-ODXCKJLCSA-N 347.459 2.553 10 40 EFCB COc1ccc(N2CCC(NC(=O)N[C@H](C)[C@@H]3CCCO3)CC2)cc1 69583743 LBFRYAKVTUGQOH-KDOFPFPSSA-N 347.459 2.531 10 40 EFCB COc1ccc(N2CCN(C(=O)[C@H]3C[C@H]3c3ccco3)CC2)cc1 71834959 KVABGWBKXJQSIB-SJORKVTESA-N 326.396 2.741 10 40 EFCB Cc1ccc(C)c(N2C(=O)/C(=C/c3ccco3)C(=O)NC2=S)c1 409237008 ULZBYRSSDDFNHW-UKTHLTGXSA-N 326.377 2.728 10 40 EFCB Cc1ccc(/C=C2/C(=N)N3N=C(N4CCCC4)SC3=NC2=O)cc1 41084963 RPSIBFAQKBNOJV-OVPUCLHSSA-N 339.424 2.667 10 40 EFCB O=C1NN(c2ccc(Br)cc2)C(=O)/C1=C\c1cccs1 296629 NBMSMROIVHZWHS-WQLSENKSSA-N 349.209 2.972 10 40 EFCB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1c(O)ccc2ccccc12 5315382 LVSAVIMUURBMMO-INIZCTEOSA-N 342.420 2.901 10 40 EFCB Oc1ccc(Nc2ncnc3sccc23)cc1CN1CCOCC1 71920559 IXTCXWJNPWZCSH-UHFFFAOYSA-N 342.424 2.973 10 40 EFCB COc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccccc2C)C1=O 191764 SADPYVRKOCVCKO-SDNWHVSQSA-N 336.347 2.670 10 40 EFCB O=C(NCc1ccc(N2CCCCC2)cc1)c1cnn2cccnc12 58266981 WDRQJAGDGOUNCT-UHFFFAOYSA-N 335.411 2.650 10 40 EFCB CN(C)/C=C/c1c2c(nc3ccccc13)C(=O)c1cccnc1C2=O 49933088 QMIOVDKIZOSESD-PKNBQFBNSA-N 329.359 2.938 10 40 EFCB CC(C)C[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccn(C)c2)SC1=S 5373967 OHUJDNCKDNQJJI-WBOGTDJTSA-N 338.454 2.726 10 40 EFCB c1nc(NCc2ccc(N3CCSCC3)cc2)c2nc[nH]c2n1 44976740 QVDLZUYZWKXKBC-UHFFFAOYSA-N 326.429 2.518 10 40 EFCB COc1c2c(cc3c1[C@@H](N1CCc4ccccc41)N(C)CC3)OCO2 8792058 QIWSBTSMIPCUPT-HXUWFJFHSA-N 338.407 2.973 10 40 EFCB biogenic Cc1ccccc1-n1c(C)cc(C(=O)Cn2cnc(C(N)=O)c2)c1C 97001763 NFXWUIWHLAAMLK-UHFFFAOYSA-N 336.395 2.581 10 40 EFCB Cc1cc(C)nc(NCc2ccc(N3CCC(O)CC3)c(F)c2)n1 52457704 AIHYGWALQGDSTB-UHFFFAOYSA-N 330.407 2.806 10 40 EFCB Cc1ccc(N2C(=O)N=C(O)/C(=C\NCc3ccco3)C2=O)cc1C 103121876 QUDVENBILOBTPH-XNTDXEJSSA-N 339.351 2.993 10 40 EFCB CN(Cc1ccc(N2CCOCC2)cc1)C[C@@H](O)c1cccc(F)c1 69518828 MOQYVRCDXCRTDK-HXUWFJFHSA-N 344.430 2.828 10 40 EFCB N=C1/C(=C/c2cccs2)C(=O)N=C2SC(c3ccncc3)=NN12 6192236 DCFVOKSKJGZRFW-KRLNTZMLSA-N 339.405 2.811 10 40 EFCB CCCC(=O)N1CCC[C@H](C(=O)NCc2ccc(N(C)C)cc2C)C1 75139742 TUMZBOQKXFEYOC-KRWDZBQOSA-N 345.487 2.716 10 40 EFCB CC(=O)Nc1cc(NC(=O)NCc2ccc(O)c(O)c2)ccc1C 89644304 PRSQFZYVSKZNNZ-UHFFFAOYSA-N 329.356 2.686 10 40 EFCB CC(C)(C)OC(=O)N1CCN(c2ccc3c(c2)CCC(=O)N3)CC1 526059753 ITGADVJFBTZKOJ-UHFFFAOYSA-N 331.416 2.628 10 40 EFCB NC(=O)[C@@H]1Cc2ccccc2CN1Cc1c(O)ccc2ccccc12 35421639 OQFDWBRCNROOGY-IBGZPJMESA-N 332.403 2.958 10 40 EFCB COc1ccc(N2CCN(C[C@@H](O)c3cccc(OC)c3)CC2)cc1 62005031 VBXXCVCJIUCYRU-HXUWFJFHSA-N 342.439 2.559 10 40 EFCB C[C@H](NC(=S)Nc1ccncc1)c1ccc(N2CCOCC2)cc1 225839905 HGAMQBYLBDPFSQ-AWEZNQCLSA-N 342.468 2.966 10 40 EFCB O=C(O)c1cc([N+](=O)[O-])c2c(c1Cl)C(=O)c1ccccc1C2=O 255187239 CFEFEHNYIDVAKF-UHFFFAOYSA-N 331.667 2.722 10 40 EFCB CCN(CC)c1ccc(CN2CCc3c(O)nc(C)nc3C2)c(O)c1 19526490 SJSMZZLSCMQUBK-UHFFFAOYSA-N 342.443 2.601 10 40 EFCB CC(=O)NN1C(=O)/C(=C/c2ccc(OC(F)F)cc2)SC1=S 1465595 SJVMGIPHWXYRSA-POHAHGRESA-N 344.364 2.540 10 40 EFCB Cc1ccc(/C=C2\C(=O)NC(=O)N(CCC3=CCCCC3)C2=O)o1 13774164 FCXZLWGRWONKFT-RVDMUPIBSA-N 328.368 2.940 10 40 EFCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(N2CCCC2)cc1 361581 DYHMFJQMNDGTHW-JXAWBTAJSA-N 333.391 2.748 10 40 EFCB O=C(/C=C/c1ccc(N2CCOCC2)cc1)NC1CCSCC1 71888800 RZFVTGLCBINHHK-ZZXKWVIFSA-N 332.469 2.548 10 40 EFCB O=[N+]([O-])c1ccc(-c2nnc3n2N[C@@H](c2ccccc2O)S3)cc1 3843219 IZTIGNTTWZUYHE-CQSZACIVSA-N 341.352 2.907 10 40 EFCB biogenic CN(C)c1ccc([C@@H]2NC[C@@H](COc3ccc([N+](=O)[O-])cc3)O2)cc1 34803473 WRASVXYMXMWGQJ-ZWKOTPCHSA-N 343.383 2.727 10 40 EFCB CCOC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C\NN1CCCCC1 13397579 ZJVNCCQVMPSKEY-QINSGFPZSA-N 348.834 2.911 10 40 EFCB CCOC(=O)c1c(NC(=O)CCC(=O)OC)sc2c1CCCC2 55293 SLKIILPFAUJMKW-UHFFFAOYSA-N 339.413 2.695 10 40 EFCB COc1ccc(N2CCCN(c3nn4cc(C)nc4s3)CC2)cc1 52511633 SBIGWSSQJVXNOZ-UHFFFAOYSA-N 343.456 2.825 10 40 EFCB CCC(=O)NCC(=O)NCc1ccc(N(C)C2CCCCC2)cc1 58269101 GGIRTWDEZFHZFS-UHFFFAOYSA-N 331.460 2.598 10 40 EFCB Cc1cnccc1CCNC(=O)NCc1ccc(N(C)C)cc1C 95438087 SPUCDWAHLUQEAZ-UHFFFAOYSA-N 326.444 2.806 10 40 EFCB CCOc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cccc1OC 33406412 QHUHKMJJSSGQQF-QINSGFPZSA-N 338.363 2.555 10 40 EFCB COc1ccc(N2CCOCC2)c(NC(=O)/C=C/c2ccco2)c1 7496655 XZYYPFLTPWYYJY-FNORWQNLSA-N 328.368 2.777 10 40 EFCB COc1ccc(CNCc2cc([N+](=O)[O-])ccc2O)cc1NC(C)=O 71792581 YHKJXTGLNUHNSR-UHFFFAOYSA-N 345.355 2.557 10 40 EFCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3C)C2=O)cc1 408740847 NELWIBCOCOGLBG-LFIBNONCSA-N 336.347 2.670 10 40 EFCB CC(C)[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc(C=O)cc2)SC1=S 5375018 WAZZWDXMJRHEQU-FFXRNRBCSA-N 349.433 2.810 10 40 EFCB CSc1ccc(/C=C2\SC(N3CCN(C)CC3)=NC2=O)cc1 20028159 APYFLOZDMNWRAC-KAMYIIQDSA-N 333.482 2.626 10 40 EFCB O=[N+]([O-])c1c(O)nc(O)nc1/C=C\c1ccc(N2CCCC2)cc1 409304264 QRBKGXJADBYILF-YVMONPNESA-N 328.328 2.567 10 40 EFCB COc1ccc(-n2c(C)cc([C@H]3NC[C@H](C(=O)O)S3)c2C)cc1 408978851 NQSXIUDZLJFRRT-CVEARBPZSA-N 332.425 2.891 10 40 EFCB Cc1nc2n(n1)C[C@H](NCc1ccc(N3CCCCC3)cc1)CC2 69772779 HUHDWVLRYJQBSY-QGZVFWFLSA-N 325.460 2.681 10 40 EFCB CCOc1cc(C=C2C(=O)OC3(CCCCC3)OC2=O)ccc1O 58865772 ZOPDBGSDGIDSOE-UHFFFAOYSA-N 332.352 2.935 10 40 EFCB CN1CCCc2cc(CNC(=O)Cc3cn4ccsc4n3)ccc21 58282889 GWGSHNUSCDOVLL-UHFFFAOYSA-N 340.452 2.637 10 40 EFCB CN1C(=O)/C(=C/c2cn(CC(N)=O)c3ccccc23)c2ccccc21 4517121 PXOSAXLHPSZYSH-MHWRWJLKSA-N 331.375 2.644 10 40 EFCB Cc1ccc(N2NC(=O)/C(=C/c3cccc([N+](=O)[O-])c3)C2=O)cc1C 5618127 AVPVMDAXUOLASA-YBEGLDIGSA-N 337.335 2.673 10 40 EFCB O=C1NC(=S)N=C(O)/C1=C\c1ccc(-c2ccc(F)cc2F)o1 5756808 KTLPHHVPTZALMF-UHFFFAOYSA-N 334.303 2.979 10 40 EFCB CCCCOc1ccc(NC(=O)C[C@@H]2SC(=S)NC2=O)cc1 34926867 ZORGTFRIXXRZOB-LBPRGKRZSA-N 338.454 2.711 10 40 EFCB Cc1cc(CNC(=O)[C@H](C)NC(=O)c2cccs2)ccc1N(C)C 69696621 VXWRCYSQILJFPW-ZDUSSCGKSA-N 345.468 2.557 10 40 EFCB O=C1OCCN1c1cccc(CNCc2cc([N+](=O)[O-])ccc2O)c1 66974101 YTJWRRPUSRAGKD-UHFFFAOYSA-N 343.339 2.547 10 40 EFCB CC1=NN(C(=O)c2ccncc2)C(=O)[C@H]1/N=N\c1ccc(F)cc1 104276001 GKQWVBRPLBCQTM-SXZOAGKDSA-N 325.303 2.732 10 40 EFCB NC(=O)[C@@H]1CCCN(c2ccc(CNCc3cccs3)cc2)C1 54179191 XDSIQOFXRXIUGH-OAHLLOKOSA-N 329.469 2.740 10 40 EFCB CN(C)c1ccc(CNC(=O)CN2CCC[C@@H](C(F)(F)F)C2)cc1 24799040 KCVBXJCBTSDYTG-CQSZACIVSA-N 343.393 2.643 10 40 EFCB Oc1ccc(N2C[C@@](O)(c3ccccc3)[N+]3=C2SCCC3)cc1 27525343 ONAAGRGGJGHIHU-GOSISDBHSA-O 327.429 2.563 10 40 EFCB CCOc1ccccc1/C=C1\SC(N2CCN(CC)CC2)=NC1=O 13547704 VCYSSIMCRPGLKR-SSZFMOIBSA-N 345.468 2.693 10 40 EFCB CCN1C(=O)S/C(=C\c2ccc(N3CCOCC3)c(F)c2)C1=O 409137679 XXPZMRDALHOFNE-UVTDQMKNSA-N 336.388 2.719 10 40 EFCB C[C@@H](NC(=O)N(C)Cc1ccccc1O)c1ccc2c(c1)CC(=O)N2 47155061 MULGWMIDTWCTCR-GFCCVEGCSA-N 339.395 2.789 10 40 EFCB CN(Cc1ccccc1O)C(=O)[C@@H]1CCCCN1Cc1ccncc1 69533525 NWTXBSKHRIYJNN-SFHVURJKSA-N 339.439 2.800 10 40 EFCB CCn1cccc1/C=C1\C(=O)NC(=O)N(c2cc(C)cc(C)c2)C1=O 408960201 DMBFTMUQAZPICR-LFIBNONCSA-N 337.379 2.791 10 40 EFCB CN1C(=O)/C(=C\c2cc(Cl)cc([N+](=O)[O-])c2O)SC1=S 15011571 GPQWAGPHDAGZFV-FPYGCLRLSA-N 330.774 2.785 10 40 EFCB CCCN1C(=O)/C(=C/c2ccccc2OCC(=O)O)SC1=S 409332380 QKWDDQZROIJLFJ-WQLSENKSSA-N 337.422 2.761 10 40 EFCB Cc1cc(C(=O)CSc2nnc(N)s2)c(C)n1-c1ccccn1 8486532 HRDWFLNEKBEQEM-UHFFFAOYSA-N 345.453 2.898 10 40 EFCB O=C1/C(=C\c2coc3ccc(O)cc3c2=O)C(O)=NN1c1ccccc1 9332972 KDAWRGNYZOSWEM-NVNXTCNLSA-N 348.314 2.800 10 40 EFCB CCCN1C(=O)/C(=C\c2cccc(OC)c2OC)C(C(=O)OC)=C1C 2648431 DQUDDUILNFHXLO-KAMYIIQDSA-N 345.395 2.786 10 40 EFCB Cc1ccc(N2NC(=O)/C(=C/c3ccc(O)c(O)c3)C2=O)cc1Cl 5547186 RRNIVGIUEPNEJC-SDQBBNPISA-N 344.754 2.521 10 40 EFCB CS(=O)(=O)c1cccc(/N=N/c2cccc(S(C)(=O)=O)c2)c1 98086460 MGFBFHQJDGDDRP-FOCLMDBBSA-N 338.410 2.909 10 40 EFCB Cc1ccc(Cl)cc1-c1ccc(C=C2C(=O)NC(=O)NC2=O)o1 9318207 ZVJAZRIPTCMBMG-UHFFFAOYSA-N 330.727 2.658 10 40 EFCB O=C1NC(=S)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccsc1 4723734 LXAUSWCTUDDPJH-GHXNOFRVSA-N 332.381 2.719 10 40 EFCB O=C1NC(=O)N(c2ccccc2Cl)C(=O)/C1=C\c1cccc(O)c1 408937807 OYRMTJGZYURMBM-XFXZXTDPSA-N 342.738 2.712 10 40 EFCB Oc1cccnc1NC(=S)NCc1ccc(N2CCCC2)cc1 223951556 SDZYSMKNBUMZHO-UHFFFAOYSA-N 328.441 2.874 10 40 EFCB COc1ccc(N2CCN(CC(=O)N3[C@H](C)CCC[C@H]3C)CC2)cc1 57579763 IGGDCKAHBNEOJM-IAGOWNOFSA-N 345.487 2.607 10 40 EFCB Cc1cnn([C@@H](C)[C@H](C)NCc2ccc(N3CCOCC3)c(F)c2)c1 69459646 IIONPCPZRZFWPS-HOTGVXAUSA-N 346.450 2.907 10 40 EFCB O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccon1 96431772 LEICLVJHDQGHEX-LLVKDONJSA-N 337.326 2.675 10 40 EFCB COc1ccc(C=C2C(=O)OC(C)(C)OC2=O)cc1Br 5727788 ZAMUKTDISLARFI-UHFFFAOYSA-N 341.157 2.677 10 40 EFCB CCCOc1ccc(/C=C2\SC(NC(C)=O)=NC2=O)cc1OCC 409025350 UMRGJIADRBHZQL-GDNBJRDFSA-N 348.424 2.981 10 40 EFCB CCN1c2ccc(C=C3C(=O)NC(=O)NC3=O)cc2[C@@H](C)CC1(C)C 113790006 ZHBVMTVTPIXUCR-NSHDSACASA-N 341.411 2.548 10 40 EFCB CCN1C(=O)/C(=C/c2ccc(OC)c(OC)c2OC)SC1=S 32254551 KQBKOVNILSQZTO-FLIBITNWSA-N 339.438 2.934 10 40 EFCB COc1cccc(CN[C@@H]2CCCN(C(=O)c3ccccc3)C2)c1O 78553544 FQWCRRABGBYFKR-QGZVFWFLSA-N 340.423 2.795 10 40 EFCB CCC[C@H](NCc1c(O)ccc2c1oc(=O)c1ccccc12)C(=O)O 16810557 XFZQKDYRBICSHS-HNNXBMFYSA-N 341.363 2.995 10 40 EFCB CC[C@H](C(=O)O)N1C(=O)/C(=C\c2nc3ccccc3[nH]2)SC1=S 27533779 XYEZQKRNHXYQLM-UEUZTHOGSA-N 347.421 2.627 10 40 EFCB COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2ccc(Cl)cc2)c1 71803509 UHZBBPDIRAHZFD-JTQLQIEISA-N 348.786 2.870 10 40 EFCB C[C@@H]1CCCN(c2ccc(CNC(=O)[C@H]3CCCN(C)C3)cc2)C1 260559680 PVFWEJSSCROCRW-AEFFLSMTSA-N 329.488 2.881 10 40 EFCB COc1ccc(N2CCC(NC(=O)Nc3ccncc3)CC2)cc1 69537610 GMKZEDGXCRNMQG-UHFFFAOYSA-N 326.400 2.881 10 40 EFCB CC(C)[C@H](C)NC(=O)CN(Cc1ccccc1O)C[C@@H]1CCCO1 70976346 RPYNJRYURCJDMH-RDJZCZTQSA-N 334.460 2.534 10 40 EFCB COc1ccc(N(C)CC(=O)Nc2ccccc2C(C)=O)cc1OC 58159051 SRRCAJNUEFZSBQ-UHFFFAOYSA-N 342.395 2.981 10 40 EFCB CCCN(Cc1ccccc1O)C(=O)[C@@H]1Cc2ccccc2C(=O)O1 58218847 ODRYCROAPLSDSR-SFHVURJKSA-N 339.391 2.913 10 40 EFCB CCCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(N(C)C)cc1 4042852 BKKZGGQQCKKDSV-INIZCTEOSA-N 331.416 2.724 10 40 EFCB C[C@@H](O)CN1CCC(CNCc2ccc(N3CCCCC3)cc2)CC1 69347452 ZFUZPUXUXCHQJD-GOSISDBHSA-N 345.531 2.859 10 40 EFCB Cc1cc(O)c(CN(C)CCN2C(=O)c3ccccc3C2=O)cc1C 95973669 KYFHLMDJKDDCLA-UHFFFAOYSA-N 338.407 2.737 10 40 EFCB O=C1/C(=C\c2ccc(C(F)(F)F)cc2)SC(=S)N1CCO 72427777 OEDIZYBKTOFRNW-JXMROGBWSA-N 333.356 2.899 10 40 EFCB O=C(NCc1ccc(O)c(O)c1)Nc1ccc(NC(=O)C2CC2)cc1 95446482 OJXXCMIOQBCTSE-UHFFFAOYSA-N 341.367 2.768 10 40 EFCB O=C(C[C@@H]1SC(=O)N(c2ccccc2)C1=O)Nc1ccccn1 36635231 LBGRLLJBXLHJJO-LBPRGKRZSA-N 327.365 2.679 10 40 EFCB CN(C)C(=O)/C(=C\c1ccc(N(C)C)cc1)NC(=O)c1ccccc1 3110308 USLBDZAIXVIZKV-NBVRZTHBSA-N 337.423 2.612 10 40 EFCB COc1cc(N2CCCC2)c(OC)cc1/C=C1/SC(=O)N(C)C1=O 13546719 XXLXNBVPIJNYMH-OQLLNIDSSA-N 348.424 2.970 10 40 EFCB CC(C)N1C(=O)S/C(=C/c2ccc(N3CCOCC3)cc2)C1=O 4514416 JPGIQYUFGKYZIY-RVDMUPIBSA-N 332.425 2.968 10 40 EFCB O=C(C[C@@H]1SC(=O)N(c2ccccc2)C1=O)Nc1cccnc1 36635237 JZEAJJGWAYYDKJ-ZDUSSCGKSA-N 327.365 2.679 10 40 EFCB CCOCCCNC(=O)C1CCN(Cc2cc(C)c(C)cc2O)CC1 54548528 NKJACFZNOMBRRH-UHFFFAOYSA-N 348.487 2.764 10 40 EFCB O=Cc1ccc(/C=C2\SC(=S)N(CCCC(=O)O)C2=O)cc1 5375001 LKTRFFMLFIXLTA-WQLSENKSSA-N 335.406 2.565 10 40 EFCB CC(=O)NC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(N(C)C)cc1 16321102 OGQYJAJTXUQCFC-AQTBWJFISA-N 348.406 2.632 10 40 EFCB CCc1ncc(CN2CCCN(c3ccc(OC)cc3)CC2)cn1 19523422 USPNWNYGSSJXNJ-UHFFFAOYSA-N 326.444 2.760 10 40 EFCB Cc1ccc(C)n1-c1ccc(C(=O)NCCCN2CCCC2=O)cc1 3331267 GCIKDRVVYIWUGK-UHFFFAOYSA-N 339.439 2.836 10 40 EFCB Cc1ccc(C)n1-c1ccc(CNS(=O)(=O)N(C)C(C)C)cc1 58369653 LVVLKMWOPYUKRO-UHFFFAOYSA-N 335.473 2.769 10 40 EFCB C[C@H](c1ccncc1)N(C)Cc1cc(=O)oc2cc(O)c(O)cc12 97135224 VCWOOPXJLOOHLT-LLVKDONJSA-N 326.352 2.792 10 40 EFCB CCc1cc(=O)oc2c(CNC(C)(C)CO)c(O)c(Cl)cc12 20623389 ZGAVOLWNJGRAPH-UHFFFAOYSA-N 325.792 2.575 10 40 EFCB CCN1C(=O)N/C(=C/c2ccc(-c3cccc(C(=O)O)c3C)o2)C1=O 6951795 UVUXDSHOOAENML-NTEUORMPSA-N 340.335 2.866 10 40 EFCB CCN1C(=O)/C(=C2\SC(N3CCCCC3)=NC2=O)c2ccccc21 3902540 PWMLTDZXAYBHCF-PFONDFGASA-N 341.436 2.880 10 40 EFCB COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2ccc(C)cc2F)c1 69699959 HXUUSRJZWNROAG-NSHDSACASA-N 346.358 2.664 10 40 EFCB CN1C(=O)N/C(=C\c2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)C1=O 4746558 PBCVTPKZQUJXPA-GHXNOFRVSA-N 346.726 2.821 10 40 EFCB COC(=O)CC1=NN(c2ccccc2)C(=O)/C1=C(/C)NC(C)(C)C 4736892 MNMGYUNCINCCNK-VBKFSLOCSA-N 329.400 2.614 10 40 EFCB COC(=O)C1=C(C)N(C)C(=O)/C1=C\c1ccccc1Br 573239 HIGXLRCWLDMRFS-FLIBITNWSA-N 336.185 2.752 10 40 EFCB CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)N1CCCCCC1 58557346 XRAYPNJHWXGDJH-UHFFFAOYSA-N 339.505 2.695 10 40 EFCB COc1ccc(/C=C2/SC(=S)N(CCCN(C)C)C2=O)cc1 96930751 RJMNIBLBJGEZON-SDNWHVSQSA-N 336.482 2.848 10 40 EFCB CC(C)CNCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 9575591 BNPILZNLIXCHIH-UHFFFAOYSA-N 336.391 2.646 10 40 EFCB Cc1ccc(CC(=O)NCc2ccc(N3CCOCC3)cc2)c(C)c1 224764535 YQSBWAVTWZJYMV-UHFFFAOYSA-N 338.451 2.999 10 40 EFCB CCN(CC)CCOc1ccc2c(c1O)C(=O)c1ccccc1C2=O 4783303 VTJBLEXKAAZZSL-UHFFFAOYSA-N 339.391 2.888 10 40 EFCB COc1cc([C@H]2Nc3ccccc3C(=O)N2C2CC2)cc(O)c1O 7886258 NZGVATUQIZNKNF-KRWDZBQOSA-N 326.352 2.835 10 40 EFCB COC[C@@H](C)N1C(=O)/C(=C/c2ccc(N(C)C)cc2)SC1=S 96935921 CQJQFCXQQQCFIP-RLIURORJSA-N 336.482 2.989 10 40 EFCB CN(C)c1ccc([C@@H]2N[C@H](C(=O)O)Cc3c2[nH]c2ccccc32)cc1 3999650 PSBAHRQDIWLSSI-ROUUACIJSA-N 335.407 2.922 10 40 EFCB biogenic O=C1OC2(CCCCC2)OC(=O)C1=C/C=C\c1ccc([N+](=O)[O-])o1 5572744 HUQCLXMQHLVRSI-PLNGDYQASA-N 333.296 2.888 10 40 EFCB O=C1/C(=C/c2c[nH]c3ccccc23)SC(=S)N1N1CCOCC1 20265318 ASEWIADMLVAUHZ-ZROIWOOFSA-N 345.449 2.616 10 40 EFCB N[C@@H](CC(=O)O)C(=O)OCc1cccc(/N=N\c2ccccc2)c1 104203942 GMOCWGFCIIQJFL-DNTCVELPSA-N 327.340 2.947 10 40 EFCB CCC1=NN2C(=N)/C(=C\c3cc(OC)ccc3OC)C(=O)N=C2S1 4510928 XNQSSUNGGNBRLU-JRKKXKJCSA-N 344.396 2.733 10 40 EFCB COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2ccc(Cl)cc2)c1 71803510 UHZBBPDIRAHZFD-SNVBAGLBSA-N 348.786 2.870 10 40 EFCB O=C(CCc1nccs1)N(Cc1ccccc1O)C[C@@H]1CCCO1 96410493 FDDMFZLHTJVLTG-HNNXBMFYSA-N 346.452 2.989 10 40 EFCB Cc1c(CC(=O)N(C)C2CCCCC2)c(=O)oc2c(O)c(O)ccc12 9305183 WUBDMYLKNJJZKQ-UHFFFAOYSA-N 345.395 2.846 10 40 EFCB O=C(NCc1cc([N+](=O)[O-])ccc1O)c1ccccc1OC(F)F 12622006 XANLRKZEODOZBV-UHFFFAOYSA-N 338.266 2.832 10 40 EFCB Cc1cc(C(=O)CSc2nnnn2C)c(C)n1-c1cccc(F)c1 3513256 WMPQHBDLTZKKCZ-UHFFFAOYSA-N 345.403 2.732 10 40 EFCB COc1ccc(N(C)Cc2cc(=O)n3cccc(C)c3n2)cc1OC 63616893 LSQKRIQJBBZAGK-UHFFFAOYSA-N 339.395 2.657 10 40 EFCB C[C@H](NC(=O)NCc1ccco1)c1ccc(N2CCOCC2)cc1 65278406 KOAJGJUTIOWMEF-AWEZNQCLSA-N 329.400 2.677 10 40 EFCB O=c1[nH]n2c(=O)c3c([nH]c2c1/N=N/c1ccccc1F)CCCC3 4649631 CBEZKHXPQVTDGB-FMQUCBEESA-N 327.319 2.749 10 40 EFCB CCOC(=O)CCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S 40884705 NTZFONGICMNIJC-XFXZXTDPSA-N 339.413 2.980 10 40 EFCB CCCOC(=O)CN1C(=O)/C(=C/c2ccccc2F)SC1=S 1809301 OYEJUJIXNJUYFJ-WQLSENKSSA-N 339.413 2.980 10 40 EFCB O=C(NCC(F)(F)F)N(Cc1ccccc1O)C[C@@H]1CCCO1 46915191 DRUGIJFAFPRVDK-LBPRGKRZSA-N 332.322 2.645 10 40 EFCB COc1ccccc1/C=C/C=C1/SC(=S)N(CCC(=O)O)C1=O 97990675 PAHGFTBEZXXNAY-HDZFOZLDSA-N 349.433 2.927 10 40 EFCB Cc1cccc(C(=O)Nc2cccc(N3CCC(C(N)=O)CC3)c2)c1 72292392 WYKCVWHOUWOJNZ-UHFFFAOYSA-N 337.423 2.949 10 40 EFCB CCN1C(=O)/C(=C/c2cc(Br)ccc2OC)NC1=S 207179837 NBXXLDMOCDHHKS-YFHOEESVSA-N 341.230 2.535 10 40 EFCB Cc1cccc(N2CCN(Cc3cc4c(cc3O)OCO4)CC2)c1 28788122 MAGHHQHGKNHDOA-UHFFFAOYSA-N 326.396 2.752 10 40 EFCB CCn1c(=O)c(/C=C2\SC(=S)N(C)C2=O)cc2ccccc21 36625741 SPXAGAGOACQCRL-LCYFTJDESA-N 330.434 2.852 10 40 EFCB CCOCCO[C@@H](C)C(=O)NCc1ccc(N2CCCCC2)cc1 58392253 KKQPURLTBACEAH-INIZCTEOSA-N 334.460 2.735 10 40 EFCB NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)C=C3CCCC3)cc2)C1 71818445 MXFJZFJSPHLQDV-QGZVFWFLSA-N 341.455 2.505 10 40 EFCB CCCN1C(=O)/C(=C\c2ccccc2[N+](=O)[O-])C(C(=O)OC)=C1C 574467 ODWCFIDJSMOOBC-RAXLEYEMSA-N 330.340 2.677 10 40 EFCB CC[C@@H]1SC(=S)N(CC(=O)Nc2ccc(Cl)cc2)C1=O 11635568 GMNPTXTUMREZAS-JTQLQIEISA-N 328.846 2.917 10 40 EFCB CC(C)(C)CC(=O)NCC(=O)NCc1ccc(N2CCCCC2)cc1 62223230 FKENVTUYXMCKQU-UHFFFAOYSA-N 345.487 2.846 10 40 EFCB O=C(O)CN1C(=O)/C(=C/c2c(O)ccc3ccccc23)SC1=S 3030771 NYMXURLOWOPGBO-QPEQYQDCSA-N 345.401 2.831 10 40 EFCB Oc1ccc([C@H]2OC[C@@H]3[C@@H](c4ccc5c(c4)OCO5)OC[C@H]23)cc1O 14658109 CGEORJKFOZSMEZ-MBZVMHRFSA-N 342.347 2.902 10 40 EFCB in-man CN(C)c1ccc([C@H](CNC(=O)NC(C)(C)C)N2CCCC2)cc1 5098142 ZYVYQSHISJPOSH-KRWDZBQOSA-N 332.492 2.987 10 40 EFCB NC1=Nc2nc3ccccc3n2[C@@H](c2c(O)ccc3ccccc23)N1 22241447 HKWVYIDUKDXEFK-KRWDZBQOSA-N 329.363 2.991 10 40 EFCB O=C1/C(=C\c2ccc(N3CCOCC3)cc2)C(O)=NN1c1ccccc1 104150973 VLWPRULMGYTCPT-JXAWBTAJSA-N 349.390 2.825 10 40 EFCB O[C@@]1(c2ccc(F)cc2)CN2CCCSC2=[N+]1Cc1ccccc1 3259126 INRRFHYQVISBNN-LJQANCHMSA-N 343.447 2.992 10 40 EFCB COc1ccc2c(c1)CCCN2Cc1ccc(C(N)=O)cc1[N+](=O)[O-] 9157291 LOGWMOVXKCFMET-UHFFFAOYSA-N 341.367 2.655 10 40 EFCB CCOC(=O)CCCN/C=C1\C(=O)N(c2cccc(Cl)c2)N=C1C 6439093 IZBZPLUDYVWTPT-PTNGSMBKSA-N 349.818 2.879 10 40 EFCB O=C1N=C(O)/C(=C/c2ccc[nH]2)C(=O)N1CCc1ccc(F)cc1 306536 IEKFRNODCORAIA-UVTDQMKNSA-N 327.315 2.699 10 40 EFCB CC(=O)[C@H](/N=N\c1ccccc1)C(=O)CS(=O)(=O)c1ccccc1 104375136 BQVGYMJSUMKDRJ-NSURYPBFSA-N 344.392 2.771 10 40 EFCB Cc1ccc(O)c(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c1 24192735 CBGBUUFFBPZHDD-UHFFFAOYSA-N 340.423 2.809 10 40 EFCB Cc1ccccc1[C@H](C)NC(=O)c1cc(NS(C)(=O)=O)ccc1O 55106949 WCOQRDWGZCNLBQ-LBPRGKRZSA-N 348.424 2.563 10 40 EFCB COC(=O)C[C@H]1SC(=S)N(Cc2ccc(Cl)cc2)C1=O 1591148 BGGPDXXPVGKWEU-SNVBAGLBSA-N 329.830 2.632 10 40 EFCB COc1cc(O)c2c(=O)c(OC)c(-c3ccc(O)c(O)c3)oc2c1 5732362 LUJAXSNNYBCFEE-UHFFFAOYSA-N 330.292 2.594 10 40 EFCB endogenous,in-man COC(=O)CC1=NN(c2ccccc2)C(=O)/C1=C(/C)NC1CCCC1 4999637 GSSBSBVUFILVBC-AQTBWJFISA-N 341.411 2.759 10 40 EFCB COc1ccc(N2CCN(C(=O)/C=C/c3ccccc3N)CC2)cc1 256054330 VWNYQTWZKLNOAN-IZZDOVSWSA-N 337.423 2.639 10 40 EFCB O=C(NCc1ccc(N2CCCC2)cc1)[C@@H]1COc2ccccc2O1 10113582 YYCBANLGFUTDLF-IBGZPJMESA-N 338.407 2.743 10 40 EFCB Cc1cccc(NC(=O)CN(C)Cc2cc([N+](=O)[O-])ccc2O)c1C 69442727 QHPBDXUICQOQSJ-UHFFFAOYSA-N 343.383 2.988 10 40 EFCB COc1ccc2[nH]cc(C3=CCN(c4ccnc(C(N)=O)c4)CC3)c2c1 97162935 RTODHOBHQKRACE-UHFFFAOYSA-N 348.406 2.964 10 40 EFCB Nc1c(SCCC(=O)O)ccc2c1C(=O)c1ccccc1C2=O 5024574 LSJCXXCIUNFOBN-UHFFFAOYSA-N 327.361 2.611 10 40 EFCB CN(C)c1ccc([C@@H](CNC(=O)c2ccc(F)cc2)N(C)C)cc1 5097725 MVYWYFJZNVPXAP-GOSISDBHSA-N 329.419 2.924 10 40 EFCB Cc1cc(O)c(CN2CCCN(C(=O)c3ccccn3)CC2)cc1C 57103837 HIAGEIRMQVHUAR-UHFFFAOYSA-N 339.439 2.752 10 40 EFCB COc1ccc(C(=O)C(=O)c2ccc(OC)c(OC)c2)cc1OC 1747325 GMPWPTYBCCEVKH-UHFFFAOYSA-N 330.336 2.787 10 40 EFCB biogenic COc1ccc(N2CCN(Cc3noc(C(C)(C)C)n3)CC2)cc1 36394743 DQDDQQCASZOENI-UHFFFAOYSA-N 330.432 2.698 10 40 EFCB CC(C)Oc1ccccc1/C=C1/SC(=S)N(CC(=O)O)C1=O 33717040 UMRXSYOSQGWYCV-KPKJPENVSA-N 337.422 2.760 10 40 EFCB O=C1NC(=S)N(C2CCCCC2)C(=O)/C1=C/C=C/c1ccco1 2279977 CIQCFFLSRVUSAB-QXAPVUDZSA-N 330.409 2.795 10 40 EFCB C[C@@H]1CN(c2ccc(CNC(=O)c3ccncc3)cc2F)C[C@@H](C)O1 55529930 WKWJVVUMVLBMSN-ZIAGYGMSSA-N 343.402 2.764 10 40 EFCB COc1ccncc1NC(=O)/C=C/c1ccc(N2CCOCC2)cc1 72273352 GWSMOTDQXWJXNL-QPJJXVBHSA-N 339.395 2.579 10 40 EFCB O=C(O)[C@@H]1Nc2c(I)cccc2[C@@H]2C=CC[C@@H]12 12437294 CNQHYGCDWZHJEN-LPBBDHJYSA-N 341.148 2.830 10 40 EFCB biogenic,in-vitro O=c1c(-c2ccc(Cl)cc2)coc2c(CNCCO)c(O)ccc12 57312260 QRYCYYJIMUSKGS-UHFFFAOYSA-N 345.782 2.901 10 40 EFCB CC[C@@H](NC(=O)CNC(=O)c1ccc(F)cc1)c1ccccc1O 69709616 AVDKQXXCKRHHLO-OAHLLOKOSA-N 330.359 2.529 10 40 EFCB Cc1cc(C(=O)C(=O)NC(C)C)c(C)n1-c1ccc([N+](=O)[O-])cc1 4054613 IFEKUTVVWQWEFD-UHFFFAOYSA-N 329.356 2.710 10 40 EFCB COc1ccc(N2CCN(C(=O)Cc3cccc(F)c3)CC2)cc1 6967656 VCQYJKRCSQVILF-UHFFFAOYSA-N 328.387 2.726 10 40 EFCB COc1ccccc1NS(=O)(=O)c1c(C)ccc2nsnc12 175893 PNKXYCJYABKXOT-UHFFFAOYSA-N 335.410 2.809 10 40 EFCB O=C1N=C(NC2CCCC2)S/C1=C/c1ccc2c(c1)OCCO2 6101921 FVDHBALXWRLRBX-XNTDXEJSSA-N 330.409 2.960 10 40 EFCB C[C@@H](C(=O)O)N1C(=O)/C(=C\c2c[nH]c3ccccc23)SC1=S 21487211 HPDSJPINDQZMIO-UGZWPXFQSA-N 332.406 2.842 10 40 EFCB COCCN1C(=O)S/C(=C/c2ccc(N3CCCC3)cc2)C1=O 409143302 ZWLXVEHKFOWMJE-NTCAYCPXSA-N 332.425 2.970 10 40 EFCB Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C\c2cccn2C)C1=O 409233071 JSAIYBLQWZIBPY-FMIVXFBMSA-N 343.770 2.653 10 40 EFCB C[C@H]1CCCN(c2ccc(CNC(=O)[C@H]3CCCN(C)C3)cc2)C1 260559682 PVFWEJSSCROCRW-WMZOPIPTSA-N 329.488 2.881 10 40 EFCB Cc1nc2c(c(=O)[nH]1)CN(Cc1ccc(N3CCCCC3)cc1)CC2 12117856 PXZMSPHYVIZUCM-UHFFFAOYSA-N 338.455 2.627 10 40 EFCB COC[C@H](C)N1C(=O)/C(=C/c2ccc(N(C)C)cc2)SC1=S 96935920 CQJQFCXQQQCFIP-HOXUKUGESA-N 336.482 2.989 10 40 EFCB Cc1ccc(C)c(N2C(=O)NC(=O)/C(=C/c3cccc(O)c3)C2=O)c1 408933453 AARGXVLGBOAKIR-GDNBJRDFSA-N 336.347 2.675 10 40 EFCB O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)[C@H]1CCCO1 78979610 BECOKXYJFIBVRR-OAHLLOKOSA-N 340.370 2.552 10 40 EFCB CCCOC(=O)CN1C(=O)/C(=C/c2ccc(O)cc2)SC1=S 1809355 LZPUJLJWWJFANE-WQLSENKSSA-N 337.422 2.547 10 40 EFCB CCOc1ccc2[nH]c(=O)c(/C=C3\SC(=S)N(C)C3=O)cc2c1 27025062 KWLFBDJFCUOPQX-JYRVWZFOSA-N 346.433 2.758 10 40 EFCB CCCCS(=O)(=O)Nc1ccc(NS(=O)(=O)CCCC)cc1 8715863 OVKTVVFPNHHENU-UHFFFAOYSA-N 348.490 2.770 10 40 EFCB COC(=O)[C@@H](C)N1C(=O)/C(=C/c2ccc(F)cc2)SC1=S 1276887 LTAWYSYWKNOPCK-XNYAHFKXSA-N 325.386 2.588 10 40 EFCB COC(=O)c1c(C)[nH]c(C(=O)N(C)Cc2ccc(N(C)C)cc2)c1C 57637551 HUNUBPHOQHGDNP-UHFFFAOYSA-N 343.427 2.756 10 40 EFCB CCCOc1ccc(/C=C2\SC(=S)N(CC(=O)O)C2=O)cc1 14165788 JXBHHZNFEWTUDC-WQLSENKSSA-N 337.422 2.761 10 40 EFCB Cc1cc(N2CCOCC2)ccc1CN1C[C@@H]2CCCN2C[C@H]1C 19570598 AZCWKAKLOGJEEH-XLIONFOSSA-N 329.488 2.500 10 40 EFCB CC(C)(C)OC(=O)N(CCOCCN=[N+]=[N-])CCOCCN=[N+]=[N-] 642881805 HGPOSUHEHQKFBQ-UHFFFAOYSA-N 343.388 2.877 10 40 EFCB COc1ccc(-n2c(C)cc(C(=O)OCC(=O)NC(C)C)c2C)cc1 16695217 SXBWKTBHWKLIGE-UHFFFAOYSA-N 344.411 2.784 10 40 EFCB CCOc1ccc(/C=C2\C(=O)N(CC)C(C)=C2C(=O)OC)cc1OC 573202 AQLHPFXQOFNMSH-UVTDQMKNSA-N 345.395 2.786 10 40 EFCB CN(C)c1ccc([C@H](CN)N2CCN(c3ccc(F)cc3)CC2)cc1 19796294 WSRVFTVCIAWWRG-FQEVSTJZSA-N 342.462 2.714 10 40 EFCB O=C1C(=O)[C@](Br)(c2ccccc2)C(=O)[C@@H]1c1ccccc1 1722473 IBGCUUFUSPBCOE-DYVFJYSZSA-N 343.176 2.782 10 40 EFCB CCOCc1cc(CN[C@@H]2CCN(C(C)=O)C[C@H]2C)ccc1OC 89987042 QCCCTVFEOYPKQO-RDTXWAMCSA-N 334.460 2.578 10 40 EFCB Oc1ccc(C2=NN=C(NCc3ccc4c(c3)OCO4)SC2)cc1 9642678 SAZXIJDQFFPYLZ-UHFFFAOYSA-N 341.392 2.718 10 40 EFCB CC1(C)OC(=O)C(=CNc2nc(-c3ccccc3)cs2)C(=O)O1 2543483 UWJYGDVVUYOZTB-UHFFFAOYSA-N 330.365 2.942 10 40 EFCB CC(=O)N1[C@@H](C(=O)N2CCC(C)CC2)CS[C@H]1c1ccccc1O 4699307 SNTNITHXJPJVBP-QAPCUYQASA-N 348.468 2.613 10 40 EFCB CCCC1=NN2C(=N)/C(=C/c3ccc(O)c(OC)c3)C(=O)N=C2S1 92304 QZDGUBVXIGFTRA-YNRPYRRHSA-N 344.396 2.820 10 40 EFCB COc1ccc(N/C=C2/C(=O)N(C(C)(C)C)C(=O)N=C2O)c(OC)c1 103129150 MILXZWCWDDYBCP-PKNBQFBNSA-N 347.371 2.717 10 40 EFCB C[C@@H]1CN(C(=O)CSc2ncc(-c3ccccc3)n2C)C[C@@H](C)O1 5263761 CVBOTJISSPPLPA-ZIAGYGMSSA-N 345.468 2.815 10 40 EFCB CCc1cc(NC(=O)NCCCSc2nccs2)n(C)n1 89282802 PTJQMRPRNPVFAR-UHFFFAOYSA-N 325.463 2.743 10 40 EFCB CCCOc1ccccc1/C=C1/C(=O)NN(c2ccc(O)cc2)C1=O 5043993 PYHFEZDNAHYJKE-VBKFSLOCSA-N 338.363 2.642 10 40 EFCB Cc1ccccc1C1=NN(S(C)(=O)=O)[C@H](c2ccccc2O)C1 75106823 NSCOFYNGCBJEKR-INIZCTEOSA-N 330.409 2.811 10 40 EFCB COc1ccc(CNC2CCN(C(=O)c3ccco3)CC2)cc1C 42206822 OOYYMCUKAUXEOJ-UHFFFAOYSA-N 328.412 2.991 10 40 EFCB Cc1ccc(C)n1-c1ccc(C(=O)NC2(C(N)=O)CCCC2)cc1 70884539 GRPBYVJGJQJUAC-UHFFFAOYSA-N 325.412 2.622 10 40 EFCB CN1C(=O)N=C(O)/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1=O 446843 LOJOCZYRBYKQHR-XYOKQWHBSA-N 341.279 2.787 10 40 EFCB O=C1N=C(O)/C(=C\c2ccc3c(c2)OCO3)C(=O)N1Cc1ccco1 8743020 JUNFNNULXMKDRD-WUXMJOGZSA-N 340.291 2.511 10 40 EFCB COCCC(=O)NC1CCN(c2ccc(OC(F)(F)F)cc2)CC1 69439290 IDOPVSLGRIGOJT-UHFFFAOYSA-N 346.349 2.707 10 40 EFCB COC(=O)c1cc2ccccc2c(CN2CCC(OC)CC2)c1O 12615596 RZKZRFAKRKZDCA-UHFFFAOYSA-N 329.396 2.943 10 40 EFCB Cc1ccc(C2=NN(C(=O)/C=C/C(=O)O)[C@@H](c3ccccc3O)C2)o1 80316130 ZKIUPPXJHIVVPF-MYSGNRETSA-N 340.335 2.612 10 40 EFCB CN1C(=O)C(=Cc2ccc(-c3cccc(F)c3)o2)C(=O)N(C)C1=S 93253 FDURTRALKIIKGY-UHFFFAOYSA-N 344.367 2.684 10 40 EFCB CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)NCCOC 103918502 MOKHVZZMNJXPSC-VBKFSLOCSA-N 346.387 2.608 10 40 EFCB COc1ccc(N2CCCN(C(=O)Cc3csc(C)n3)CC2)cc1 71818384 JSLKJPJTUYRSPB-UHFFFAOYSA-N 345.468 2.742 10 40 EFCB CCOc1cccc(CNCCCS(=O)(=O)c2ccccc2)c1O 75126689 BACCPDJZASFMAC-UHFFFAOYSA-N 349.452 2.745 10 40 EFCB COC(=O)C1=C(C)N(C)C(=O)/C1=C\c1cc([N+](=O)[O-])ccc1Cl 573210 WZHHSBDDOYMOIN-XFFZJAGNSA-N 336.731 2.551 10 40 EFCB N[C@@H](CC(=O)O)C(=O)OCc1cccc(/N=N/c2ccccc2)c1 5575353 GMOCWGFCIIQJFL-CVTQAYBASA-N 327.340 2.947 10 40 EFCB O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C\c1cccs1 4893443 MKKQUOFAFVQDCS-NTMALXAHSA-N 332.381 2.719 10 40 EFCB in-vitro CCOCc1cc(CN[C@@H]2CCN(C(C)=O)C[C@@H]2C)ccc1OC 89987039 QCCCTVFEOYPKQO-KBXCAEBGSA-N 334.460 2.578 10 40 EFCB O=C1N=C(Nc2ccccc2C(=O)O)S/C1=C/c1cccnc1 35648163 FJEXTAXVKRZJSX-MDWZMJQESA-N 325.349 2.862 10 40 EFCB Cc1nnc(NC(=O)CSc2ncc(-c3ccccc3)n2C)s1 7423177 KHSDJYSCJPBKBE-UHFFFAOYSA-N 345.453 2.978 10 40 EFCB CCCC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(/C)NCCOC 100423294 AGZHRPYSGYBPML-LGMDPLHJSA-N 331.416 2.708 10 40 EFCB Cc1ccc(C)c(N2C(=O)/C(=C/c3ccoc3)C(=O)NC2=S)c1 409254210 WBRGDWOVKLUOLT-MDWZMJQESA-N 326.377 2.728 10 40 EFCB CN(C)/N=N\c1ccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)O)cc1 17139037 RRZYNIPFPRIUHP-JHBCHSCWSA-N 340.383 2.673 10 40 EFCB O=C1N=C(NC(=O)c2ccc(F)cc2)S/C1=C\c1ccccn1 5374392 SIQJEXLRKYMNFV-LCYFTJDESA-N 327.340 2.621 10 40 EFCB O=C1N=C(N[C@H](C(=O)O)C2CCCCC2)S/C1=C/c1ccco1 1395031 NWJFNOJMQJWNSR-SRXBQZRASA-N 334.397 2.873 10 40 EFCB Cc1cc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)[nH]n1 69622564 CFBHPBOBZZCRBU-QGZVFWFLSA-N 342.443 2.606 10 40 EFCB COc1ccc(N2CCC(NC(=O)NCc3ccncc3)CC2)cc1 69707323 ZZHOWRRQDIPXSG-UHFFFAOYSA-N 340.427 2.558 10 40 EFCB CN1CCN([C@H](c2cccnc2)c2ccc3cccnc3c2O)CC1 20507281 HSRHOKLBADNCMO-LJQANCHMSA-N 334.423 2.672 10 40 EFCB CCN1C(=O)N/C(=C/c2ccc(-c3cccc(C(=O)O)c3)o2)C1=O 9323442 OTQVNHJQQLQSAQ-UKTHLTGXSA-N 326.308 2.557 10 40 EFCB CN1C(=O)/C(=C/c2cccs2)C(=O)N(c2ccccc2)C1=S 500501 QEDQQCLVSARZNR-RAXLEYEMSA-N 328.418 2.922 10 40 EFCB COc1cccc(/N=N/c2c(=O)[nH]n3c(=O)c4c([nH]c23)CCCC4)c1 103674881 JCVAGZLMOZTQMN-FMQUCBEESA-N 339.355 2.619 10 40 EFCB CN(C)c1ccc([C@@H](CNC(=O)NC(C)(C)C)N2CCCC2)cc1 5098143 ZYVYQSHISJPOSH-QGZVFWFLSA-N 332.492 2.987 10 40 EFCB C[C@@H]1CCCN(c2ccc(CNC(=O)C3CCN(C)CC3)cc2)C1 216924559 FUMBULMBJHZKKZ-MRXNPFEDSA-N 329.488 2.881 10 40 EFCB COc1ccc(/C=C2/C(=N)N3N=C(C(C)C)SC3=NC2=O)cc1 19446101 JVFOKYXJCZKUPE-XWFJYDPRSA-N 328.397 2.970 10 40 EFCB CC(C)OC(=O)CN1C(=O)S/C(=C/c2ccc(N(C)C)cc2)C1=O 205735200 ICZHAHOEMMZJOJ-NTEUORMPSA-N 348.424 2.741 10 40 EFCB C[C@@H]1CN(c2ccc(CNCc3ccc4c(c3)CCO4)cn2)CCO1 54175319 CPGKTUXJPIXPME-OAHLLOKOSA-N 339.439 2.531 10 40 EFCB CN(C)c1ccc(/C=C2/NC(=O)N(Cc3ccc(F)cc3)C2=O)cc1 409009575 GHTXPTUXSGMFRM-GZTJUZNOSA-N 339.370 2.985 10 40 EFCB O=C(O)COc1ccc(/C=C2/SC(N3CCCCC3)=NC2=O)cc1 96759408 OLHIYFWPRSMTAO-GXDHUFHOSA-N 346.408 2.606 10 40 EFCB c1cc(N2CCOCC2)ccc1CNCc1ccc2c(c1)OCCO2 71831316 CSHZUIYLOKZKIY-UHFFFAOYSA-N 340.423 2.584 10 40 EFCB Cn1cccc1/C=C1/C(=O)N=C(S)N(CCC2=CCCCC2)C1=O 1261205 WYYILZVUZCMEFB-QINSGFPZSA-N 343.452 2.954 10 40 EFCB COc1ccc(N2CCN(c3nc(Cl)nc(Cl)n3)CC2)cc1 891005 USKWKPRMRUXLFI-UHFFFAOYSA-N 340.214 2.514 10 40 EFCB CCN1C(=O)C(=Cc2ccc(N(CC)CC)o2)C(=O)N(CC)C1=S 531267 JHGUVIKHNLIRIF-UHFFFAOYSA-N 349.456 2.505 10 40 EFCB C[C@@H]1Oc2ccccc2O[C@H]1C(=O)NCc1ccc(N(C)C)cc1 14310847 HIFPRYALZKVNPT-SCLBCKFNSA-N 326.396 2.597 10 40 EFCB Cc1ccccc1N/C=C1\C(=O)NC(=O)N(CCc2ccccc2)C1=O 408526623 BTKSARVEHLKMFL-DTQAZKPQSA-N 349.390 2.612 10 40 EFCB O=C1N=C(O)/C(=C\NN2CCCCC2)C(=O)N1CCC1=CCCCC1 1271164 LVICXXJTYPZJFH-FYWRMAATSA-N 346.431 2.670 10 40 EFCB CN1C(=O)C(=Cc2ccc(-c3ccc(F)cc3)s2)C(=O)N(C)C1=O 12794616 PEYHWJSJEUQYAA-UHFFFAOYSA-N 344.367 2.988 10 40 EFCB O=C(NN1C(=O)/C(=C\c2cccnc2)SC1=S)c1ccccc1 5128939 VHLKSCCTMZDIIA-UKTHLTGXSA-N 341.417 2.628 10 40 EFCB CN(C)c1ccc([C@H]2NC[C@@H](COc3ccc([N+](=O)[O-])cc3)O2)cc1 34803476 WRASVXYMXMWGQJ-ROUUACIJSA-N 343.383 2.727 10 40 EFCB CCc1c(C(=O)NCc2cccc(O)c2O)cnn1C1CCCC1 1528770692 CTXAHNUJAJLHRS-UHFFFAOYSA-N 329.400 2.902 10 40 EFCB Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NC[C@@H]2COCCO2)c1 55846828 YATWYNVFKJVHOO-OAHLLOKOSA-N 348.830 2.893 10 40 EFCB O=[N+]([O-])c1cc2c(cc1[C@H]1NN=C(c3ccccc3O)S1)OCO2 339870 WWKUIOLSEYRISN-HNNXBMFYSA-N 345.336 2.726 10 40 EFCB NC(=O)[C@@H]1CCCN(c2ccc(CNCc3ccc(F)cc3)cc2)C1 54178816 MKNOQWIEVMEMHE-QGZVFWFLSA-N 341.430 2.817 10 40 EFCB CCc1cccc2c(C3=CCN(c4ccc5nnnn5n4)CC3)c[nH]c12 12853288 KDMSHCJBEPFACE-UHFFFAOYSA-N 345.410 2.857 10 40 EFCB COc1ccc(N2CCN(Cc3nc(N)c4ccccc4n3)CC2)cc1 23703178 UEVBEOMRVQTPFV-UHFFFAOYSA-N 349.438 2.543 10 40 EFCB O=C([C@H]1C[C@H]2CC[C@H]1C2)N1CCN(c2ccc3c(c2)OCO3)CC1 247948127 RPDWWSVUIILMDE-DZKIICNBSA-N 328.412 2.500 10 40 EFCB CN(Cc1ccc(N2CCCCC2)cc1)Cc1nnnn1C1CC1 40494045 KRXDVHOIXFSUFV-UHFFFAOYSA-N 326.448 2.630 10 40 EFCB CCOC(=O)[C@@H]1CCCN(C2=NC(=O)/C(=C/c3ccccc3)S2)C1 521109 FOMYBNHZQGRUBS-ADVGAGMGSA-N 344.436 2.932 10 40 EFCB CCN1c2ccc(C=C3C(=O)NC(=O)NC3=O)cc2[C@H](C)CC1(C)C 113790003 ZHBVMTVTPIXUCR-LLVKDONJSA-N 341.411 2.548 10 40 EFCB CC(C)Oc1ccc(/C=C2\SC(N3CCN(C)CC3)=NC2=O)cc1 13787953 AYYDMALXLKTJBG-VBKFSLOCSA-N 345.468 2.692 10 40 EFCB COc1ccc(N2CCC(Nc3cnn(C)c(=O)c3Cl)CC2)cc1 69414055 SBZVUGFMQRYHAL-UHFFFAOYSA-N 348.834 2.523 10 40 EFCB N=C1/C(=C/c2ccc(O)c(O)c2)C(=O)N=C2Sc3ccccc3N12 4634006 WAZZBWJZFXPQDM-RGJWTKAHSA-N 337.360 2.967 10 40 EFCB O=C1COc2cc([N+](=O)[O-])c(N3CCc4sccc4C3)cc2N1 84618312 KGBHWVOOSKTNHF-UHFFFAOYSA-N 331.353 2.550 10 40 EFCB Cc1cccc(C)c1C(=O)Nc1cccc(N2CCO[C@@H](CO)C2)c1 585087439 IFVHHFFHRAMLCD-GOSISDBHSA-N 340.423 2.753 10 40 EFCB CC(C)(C(=O)O)N1C(=O)/C(=C/c2ccc(C=O)cc2)SC1=S 5375024 YEUPQAUNSIJGMU-XFFZJAGNSA-N 335.406 2.564 10 40 EFCB Oc1cc2c(cc1CN1CCO[C@H](c3ccc(F)cc3)C1)OCO2 29894366 URLVYFOVSCPPDI-SFHVURJKSA-N 331.343 2.834 10 40 EFCB CN(C)c1ccc(CNC(=O)Cc2cnn(-c3ccccc3)c2)cc1 14899418 LYHDJTPDAJGXFH-UHFFFAOYSA-N 334.423 2.797 10 40 EFCB CC(C)C[C@H](C(=O)O)N1C(=O)/C(=C\c2cccn2C)SC1=S 5371647 BVULSQXCOXUJCA-OYGDSYQHSA-N 338.454 2.726 10 40 EFCB O=C(C[C@H]1SC(=S)NC1=O)Nc1cc(Cl)ccc1Cl 34926790 WLBBJPUTBUOIFJ-MRVPVSSYSA-N 335.237 2.839 10 40 EFCB COC(=O)c1sc(-n2cnc3cc(OC)c(OC)cc32)cc1O 11906982 XYKRAQWYSXZLET-UHFFFAOYSA-N 334.353 2.596 10 40 EFCB O=C(c1ccc(F)cc1)N1CCN(c2ccc3c(c2)OCO3)CC1 2795987 ODMMYGCFIXDSRI-UHFFFAOYSA-N 328.343 2.517 10 40 EFCB NC(=O)[C@H]1CCCN(c2ccc(CNCc3ccccc3F)cc2)C1 54179346 PEQQJIVBJAWNAX-KRWDZBQOSA-N 341.430 2.817 10 40 EFCB NC(=O)[C@H]1CCCN(c2ccc(CNCc3cccs3)cc2)C1 54179189 XDSIQOFXRXIUGH-HNNXBMFYSA-N 329.469 2.740 10 40 EFCB O=C1N=C(O)/C(=C\c2c[nH]c3ccccc23)C(=O)N1C[C@@H]1CCCO1 8995842 IMJCKBGLICSZHH-ACLQVGRQSA-N 339.351 2.649 10 40 EFCB O=C1/C(=C/c2ccc([N+](=O)[O-])o2)SC(=S)N1C[C@H]1CCCO1 16790761 VOIPRRYEUCRRTI-WPVMNKCKSA-N 340.382 2.568 10 40 EFCB C[C@@H]1CCc2cc(F)ccc2N1S(=O)(=O)c1cccc2nonc12 17072237 ZYHLSZFZESQFHO-SNVBAGLBSA-N 347.371 2.892 10 40 EFCB O=C1NN(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccncc1 16385327 ZRPUSPIAPSSYNJ-YRNVUSSQSA-N 334.162 2.850 10 40 EFCB O=C1NN(c2ccccc2)C(=O)/C1=C/c1c[nH]nc1-c1ccccc1 4576303 HVESFWCWMXTPTJ-LFIBNONCSA-N 330.347 2.538 10 40 EFCB O[C@@H](CNCc1ccc(N2CCOCC2)cc1)c1ccc(F)cc1F 71819558 UHYNEEFPYDLJMC-IBGZPJMESA-N 348.393 2.625 10 40 EFCB Cc1occc1CNC(=O)/C=C/c1ccc(N2CCOCC2)cc1 71889008 GGRXBBKHXJUMNO-QPJJXVBHSA-N 326.396 2.754 10 40 EFCB O=C(Cc1ccc([N+](=O)[O-])cc1)NCCCSc1nccs1 79308271 XTFJOWWZDCGNFH-UHFFFAOYSA-N 337.426 2.892 10 40 EFCB CCc1noc(C)c1C(=O)N1CCCN(c2ccc(OC)cc2)CC1 55877714 CQXSCPJDOXDXDF-UHFFFAOYSA-N 343.427 2.907 10 40 EFCB O=C(C[C@H]1SC(=S)NC1=O)Nc1ccccc1C(F)(F)F 34926762 CRKHVKUYGUJFBJ-MRVPVSSYSA-N 334.344 2.551 10 40 EFCB COc1ccc(N(CCOc2ccc(F)cc2)CCC(N)=O)cc1 9118349 QWEBHBNGXZHEIG-UHFFFAOYSA-N 332.375 2.595 10 40 EFCB CCCCNC(=O)CCN1C(=O)/C(=C\c2ccco2)SC1=S 4745540 HPYMAHNZJZHIND-ZRDIBKRKSA-N 338.454 2.787 10 40 EFCB Nc1cccc2c1C(=O)c1ccc(I)cc1C2=O 4522772 SPHJSEQRVGMWBM-UHFFFAOYSA-N 349.127 2.649 10 40 EFCB O=C(CN1CCCCCCC1=O)NCc1ccc(N2CCCC2)cc1 52807209 SOILIIDGONQUJQ-UHFFFAOYSA-N 343.471 2.696 10 40 EFCB COc1ccc(N2CCN(C(=S)c3cccc(O)c3)CC2)cc1 9188028 JAIBWRWWSGEBNE-UHFFFAOYSA-N 328.437 2.899 10 40 EFCB CN1C(=O)/C(=C/c2ccc(Sc3ccccc3)o2)C(=O)NC1=S 4723778 IPQUULZPGLAGKV-FMIVXFBMSA-N 344.417 2.687 10 40 EFCB COC(=O)c1ccc(/C=C2/C(=O)N(C(=O)c3ccccc3)N=C2C)cc1 408934700 FUOUVULCRPGMNW-SFQUDFHCSA-N 348.358 2.915 10 40 EFCB NC(=O)[C@H]1CCCN(c2ccc(CNCc3ccsc3)cc2)C1 54179228 QKMXFBMEDIBLNI-INIZCTEOSA-N 329.469 2.740 10 40 EFCB Cc1cc(Br)c(O)c(CN(C)[C@H](C)C[S@@](C)=O)c1 108395034 SVCYASXJMBMBJR-MGNBDDOMSA-N 334.279 2.662 10 40 EFCB CCCN(Cc1ccccc1O)C(=O)c1cccc(S(C)(=O)=O)c1 69567947 NLFXESOCPJUCGE-UHFFFAOYSA-N 347.436 2.848 10 40 EFCB CC(=O)N1CCCN(C(=O)c2cc(C)n(-c3ccccc3)c2C)CC1 41844792 MKCURNZTKAYGHL-UHFFFAOYSA-N 339.439 2.789 10 40 EFCB O=C1N=C(O)/C(=C\c2c[nH]c3ccc(Br)cc23)C(=O)N1 5763911 KQVPKVGGMGVLLT-UHFFFAOYSA-N 334.129 2.520 10 40 EFCB Cc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)s1 450842 WFPXHTSKELTGHL-JYRVWZFOSA-N 330.340 2.862 10 40 EFCB CCN(Cc1ccc(N2CCC(OC)CC2)cc1)C(=O)NC1CC1 58003637 LCBCKSGFBJGSLJ-UHFFFAOYSA-N 331.460 2.996 10 40 EFCB CC(=O)N[C@@H](C(=O)N(C)Cc1ccc(N2CCCCC2)cc1)C(C)C 10962060 VPHNNAVFLWJSQT-LJQANCHMSA-N 345.487 2.796 10 40 EFCB COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2cc(F)ccc2C)c1 71803504 YXSDGUNLDUIVNQ-LLVKDONJSA-N 346.358 2.664 10 40 EFCB CCCOc1ccccc1NS(=O)(=O)c1cccc2nonc12 89960345 ISOPNYCQPOQBQG-UHFFFAOYSA-N 333.369 2.812 10 40 EFCB COc1cc(/C=C2/C(=O)N(C(=O)c3ccccc3)N=C2C)ccc1O 408947115 ZNGCDOCCZWEFJP-XNTDXEJSSA-N 336.347 2.843 10 40 EFCB O=C(CSc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccc(O)c(O)c1 13782380 QBJTWNQVNTYDIL-UHFFFAOYSA-N 345.336 2.857 10 40 EFCB O=C1NC(=S)S/C1=C\c1cc(Cl)c2c(c1)OCCCO2 8220416 KKZYPFSXDNPDLW-POHAHGRESA-N 327.814 2.990 10 40 EFCB CCn1cccc1/C=C1\C(=O)NC(=S)N(c2ccccc2C)C1=O 408932301 VKXUEUUUFNMOEY-SDNWHVSQSA-N 339.420 2.648 10 40 EFCB CC[C@H](C)[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccn(C)c2)SC1=S 5373973 XDYATQZBIMHXJA-BSXQHEMOSA-N 338.454 2.726 10 40 EFCB O=C(NN1C(=O)/C(=C/c2ccc[nH]2)SC1=S)c1ccccc1 5552813 UQCGNSOBGRPXGG-XFXZXTDPSA-N 329.406 2.561 10 40 EFCB CN(Cc1ccccn1)C(=O)/C=C/c1ccc(N2CCOCC2)cc1 78718380 DRQVGQHTFNTOEY-JXMROGBWSA-N 337.423 2.590 10 40 EFCB COc1ccc(N(Cc2ccco2)C[C@@H](O)Cn2cccn2)cc1F 72292488 SZBXAENZHQJFMY-OAHLLOKOSA-N 345.374 2.692 10 40 EFCB Cc1n[nH]cc1CNCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 71819617 CMPQOCYJEOXQHU-STQMWFEESA-N 332.423 2.761 10 40 EFCB COC(=O)C1=C(C)N(C[C@@H]2CCCO2)C(=O)/C1=C\c1cccc(F)c1 563644 SCKZBFBCQZPCOI-HEUOVEHFSA-N 345.370 2.677 10 40 EFCB COC(=O)c1cc(O)ccc1NS(=O)(=O)c1ccccc1Cl 95997434 WNXBZKKHVFHRCB-UHFFFAOYSA-N 341.772 2.633 10 40 EFCB O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C/c1ccc(Cl)cc1 409373044 PXYBWILQKDMRSK-MDWZMJQESA-N 330.727 2.595 10 40 EFCB CC(C)Oc1ccccc1/C=C1\SC(N2CCN(C)CC2)=NC1=O 13758964 INELQPZIFYFRER-VBKFSLOCSA-N 345.468 2.692 10 40 EFCB O=C1c2ccccc2N[C@@H](c2ccc(O)c(O)c2)N1C[C@H]1CCCO1 8780469 IOSPCTOFZAANEG-FZKQIMNGSA-N 340.379 2.843 10 40 EFCB COc1ccc(N2C(=O)/C(=C/c3ccco3)C(O)=NC2=S)cc1 314020 NAAKIKHAHVUSCG-UKTHLTGXSA-N 328.349 2.960 10 40 EFCB O=C1c2cc3nc4ccccc4nc3cc2C(=O)c2c(O)ccc(O)c21 5639784 UAGYMKKTFLKAET-UHFFFAOYSA-N 342.310 2.970 10 40 EFCB COC(=O)c1cc2ccccc2c(CN2C[C@H](C)O[C@@H](C)C2)c1O 14185869 BVFMMYDWYOTABL-STQMWFEESA-N 329.396 2.941 10 40 EFCB CC(=O)N1[C@H](c2ccccc2O)SC[C@H]1C(=O)N1CCC(C)CC1 4699306 SNTNITHXJPJVBP-YJBOKZPZSA-N 348.468 2.613 10 40 EFCB C[C@H](NCCCN1C[C@@H](C)O[C@H](C)C1)c1c(O)cc(F)cc1F 95939115 CXCQZQPSKLONPX-UPJWGTAASA-N 328.403 2.820 10 40 EFCB C[C@H]1Oc2ccccc2O[C@@H]1C(=O)NCc1ccc(N(C)C)cc1 14310846 HIFPRYALZKVNPT-ACJLOTCBSA-N 326.396 2.597 10 40 EFCB CCn1ncc2c1CCC[C@H]2NCc1ccc(N2CCOCC2)cc1 72298363 HMQZCEVLKGZANP-LJQANCHMSA-N 340.471 2.907 10 40 EFCB CCCNC(=O)CCCC(=O)N(CC)Cc1ccc(N(C)C)cc1 69459400 QIXJIHKSTDGWRX-UHFFFAOYSA-N 333.476 2.798 10 40 EFCB CCOC(=O)C1=C(C)N(CCOC)C(=O)/C1=C\c1ccc(F)cc1 9553540 UZKCSPJMWZHRDU-PTNGSMBKSA-N 333.359 2.535 10 40 EFCB CN1C(=O)C(=Cc2ccc(N3CCCCCC3)cc2)C(=O)N(C)C1=O 5218552 XYAVSMAPPBOAKD-UHFFFAOYSA-N 341.411 2.501 10 40 EFCB CC12CN3CC(c4ccccc4)(CN(C1)C3c1ccccc1O)C2=O 19323625 GDXGFGBYTHZOBN-UHFFFAOYSA-N 334.419 2.549 10 40 EFCB biogenic COc1cc2c(cc1OC)C(=O)N(C)[C@@H](c1cccc(OC)c1O)N2 30540425 MHUWYDSGACLYFY-KRWDZBQOSA-N 344.367 2.614 10 40 EFCB O=C(NCc1ccc(N2CCOCC2)c(F)c1)Nc1ccccc1 47321049 WSWKIUPEVTUCNZ-UHFFFAOYSA-N 329.375 2.984 10 40 EFCB COc1ccccc1/C=C1\SC(N2C[C@@H](C)O[C@H](C)C2)=NC1=O 3902531 WQZMBIHFPSSTOE-WWISCJFESA-N 332.425 2.775 10 40 EFCB C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(C)Cc1ccccc1O 69818242 VIBWUTUKEXBWHO-LBPRGKRZSA-N 329.356 2.759 10 40 EFCB COC(=O)c1cc2ccccc2c(CN2C[C@@H](C)O[C@H](C)C2)c1O 14185871 BVFMMYDWYOTABL-CHWSQXEVSA-N 329.396 2.941 10 40 EFCB CC(=O)NC1=NN(c2ccccc2)C(=O)[C@@H]1/N=N/c1ccccc1C 101469874 MKTSEGZSORLAHA-FVGNFYTDSA-N 335.367 2.944 10 40 EFCB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2O)NC(=S)N1 181545 BTXRUNWDKVPJGD-MRXNPFEDSA-N 339.420 2.824 10 40 EFCB CC1(C)[C@@]2(C)CC[C@]1(C(=O)N1CCCc3ccccc31)C(=O)C2=O 2666630 OFMMHXXUMVVBGW-VQTJNVASSA-N 325.408 2.930 10 40 EFCB Cn1c(SCC(=O)c2ccc(O)c(O)c2)nnc1-c1cccs1 5100673 KHIHWRMWIVRDBH-UHFFFAOYSA-N 347.421 2.930 10 40 EFCB CC(C)OC(=O)CN1C(=O)/C(=C/c2ccccc2F)SC1=S 1276531 FRQVWFJTYIVDAM-GHXNOFRVSA-N 339.413 2.979 10 40 EFCB CC(C)C12CN3CC(C(C)C)(CN(C1)C3c1ccc(O)c(O)c1)C2=O 19323999 QPQJSUNHSFTXRM-UHFFFAOYSA-N 344.455 2.595 10 40 EFCB COC(=O)c1ccc(/C=C2/SC(N3CCCCC3)=NC2=O)cc1 35624503 JHJDZPMMOURRKC-SDNWHVSQSA-N 330.409 2.929 10 40 EFCB CCC(CC)NC(=O)CN1CCCN(c2ccc(OC)cc2)CC1 52466297 DVPBQUJVUKYNRV-UHFFFAOYSA-N 333.476 2.512 10 40 EFCB O=C(O)CCN1C(=O)/C(=C\c2c[nH]c3ccccc23)SC1=S 969830 GCRBQKXOMBELDV-KPKJPENVSA-N 332.406 2.844 10 40 EFCB O=C(/C=C/c1ccc(F)cc1)NCc1ccc(N2CCOCC2)cc1 13673761 JQQJSJTVZBMAFS-BJMVGYQFSA-N 340.398 2.992 10 40 EFCB CC1=C(C(=O)OCC(C)C)[C@@H](c2ccc(N(C)C)cc2)NC(=O)N1 44565 CYKQDEKFEZYLIY-MRXNPFEDSA-N 331.416 2.580 10 40 EFCB COc1ccc(N2CCN(C(=O)[C@H](C)c3c(C)noc3C)CC2)cc1 58428363 SBZFIEQFNZPAEF-CYBMUJFWSA-N 343.427 2.752 10 40 EFCB COc1ccccc1OCCC(=O)NCc1ccc(N(C)C)cc1 18215154 QPNIHIFBBGCOHT-UHFFFAOYSA-N 328.412 2.847 10 40 EFCB CN1CCc2cc([C@@H](CNC(=O)C3CC3)N3CCCCC3)ccc21 13007715 IEENEIKCSSLIGM-LJQANCHMSA-N 327.472 2.732 10 40 EFCB C[C@H](Cc1ccc(O)cc1)NC(=O)NCc1ccc(N(C)C)cc1 56502450 UPWAHGBGDDMXSZ-CQSZACIVSA-N 327.428 2.889 10 40 EFCB CCCOC(=O)c1c(NC(=O)CCC(=O)O)sc2c1CCCC2 2086112 CCDXNEBLNWODQG-UHFFFAOYSA-N 339.413 2.997 10 40 EFCB Cc1ccc(N/C=C2\C(=O)NC(=O)N(Cc3ccccc3)C2=O)cc1 13957069 UEYBHTXZNCGRAG-LFIBNONCSA-N 335.363 2.569 10 40 EFCB O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C/c1ccccc1Cl 409371159 DREHBIWOOUUWKX-XYOKQWHBSA-N 330.727 2.595 10 40 EFCB CCOc1ccc(NC(=O)[C@]23CC[C@@](C)(C(=O)C2=O)C3(C)C)cc1 101220923 OLTVRKQQAWTPJH-OALUTQOASA-N 329.396 2.988 10 40 EFCB COc1c(CNCc2ccc(N3CCSCC3)cc2)c(C)nn1C 58331348 IFDNIOLYQHBJDJ-UHFFFAOYSA-N 346.500 2.580 10 40 EFCB CC(=O)N(C)CC(=O)NCc1ccc(N(C)C2CCCCC2)cc1 67299523 UVHYPIGHPRDBPQ-UHFFFAOYSA-N 331.460 2.550 10 40 EFCB COC(=O)Cc1c(C)c2ccc(O)c(CN3CCCCC3)c2oc1=O 489063 BXKRCSDNWZXJCW-UHFFFAOYSA-N 345.395 2.508 10 40 EFCB biogenic COc1ccc(N(CCC(N)=O)Cc2cc(F)ccc2OC)cc1 9157409 IAOXFYLJADCAFB-UHFFFAOYSA-N 332.375 2.725 10 40 EFCB C[C@H](O)CN1CCC(CNCc2ccc(N3CCCCC3)cc2)CC1 69347449 ZFUZPUXUXCHQJD-SFHVURJKSA-N 345.531 2.859 10 40 EFCB O=C1/C(=C\NN2CCCCCC2)C(O)=NC(=S)N1c1ccccc1 34221703 XMOUETDSFIOWGG-OWBHPGMISA-N 344.440 2.539 10 40 EFCB Cc1cc(=O)oc2c(CN3CC[C@@]4(O)CCCC[C@H]4C3)c(O)ccc12 1554502590 QYRIHSOITNEDOL-XOBRGWDASA-N 343.423 2.934 10 40 EFCB O=C(O)CN1C(=O)/C(=C/c2ccnc3ccccc23)SC1=S 1601175 JSOGWGYVQYGXMT-GHXNOFRVSA-N 330.390 2.521 10 40 EFCB COc1ccc(N2CCOCC2)c(NC(=O)c2cccnc2Cl)c1 7496670 FOGLBMFDMMHNIO-UHFFFAOYSA-N 347.802 2.833 10 40 EFCB COc1ccc(CN(/N=N/c2nonc2C)c2nonc2C)cc1 4473909 HPIJPFPWFUTKSK-HMMYKYKNSA-N 329.320 2.784 10 40 EFCB O=[N+]([O-])c1cccnc1NCc1ccc(N2CCC(O)CC2)c(F)c1 52457517 VXWVXULMLJHTFF-UHFFFAOYSA-N 346.362 2.702 10 40 EFCB Cc1ccc(O)c(CN2CCc3nc(-c4cccnc4)nc(O)c3C2)c1 12122134 SAZDHSAIMVFWAX-UHFFFAOYSA-N 348.406 2.817 10 40 EFCB COc1ccc(CN2C(=O)N=C(O)/C(=C/c3cccn3C)C2=O)cc1 9058620 DUVIODPZUHBFFR-GDNBJRDFSA-N 339.351 2.536 10 40 EFCB O=C1c2ccccc2C(=O)C1(c1ccc(Cl)cc1)N1CCOCC1 408723700 ANVBSROQRCFVBK-UHFFFAOYSA-N 341.794 2.947 10 40 EFCB CC1=NN(C(N)=S)C(=O)[C@@H]1/N=N/c1ccc(Cl)cc1Cl 84715592 BYVWRUPWZYBGOZ-HOBGCTPMSA-N 330.200 2.907 10 40 EFCB CCCN(Cc1ccccc1O)C(=O)CN(C)C(=O)c1ccccc1 69564869 BUPFELJGDHIENR-UHFFFAOYSA-N 340.423 2.903 10 40 EFCB COc1ccc(N2CCN(C(=O)c3ccc(OC)cc3F)CC2)cc1 7220027 PBCQDYGNIRGAJH-UHFFFAOYSA-N 344.386 2.805 10 40 EFCB Cn1cccc1/C=C1\SC(=S)N(CCCCCC(=O)O)C1=O 13770955 QBLRLFRHPFDFBZ-BENRWUELSA-N 338.454 2.871 10 40 EFCB CCOc1ccc(/N=N/c2c(N)nn3c(=O)c4c([nH]c23)CCC4)cc1 4649607 QPZMDPOGAMVMAG-QZQOTICOSA-N 338.371 2.908 10 40 EFCB CN1c2ccccc2C(=O)N[C@H]1/C=C/c1cn(Cc2ccccc2)nn1 12542391 CHLDBJHABNHAMM-TZZQJPOUSA-N 345.406 2.546 10 40 EFCB CC(C)CC(=O)NN1C(=O)/C(=C/c2ccc(C=O)cc2)SC1=S 5552965 TWYSWDWBRQOTBI-JYRVWZFOSA-N 348.449 2.778 10 40 EFCB Cc1ccccc1-n1c(C)cc(C(=O)N[C@@H](C)C(=O)N(C)C)c1C 46825942 JOSGEOFYCNMJGC-AWEZNQCLSA-N 327.428 2.609 10 40 EFCB COCCCN/C=C1/SC(=S)N(CCc2ccccc2)C1=O 36613118 UGUJXJURJYVLHC-WYMLVPIESA-N 336.482 2.557 10 40 EFCB CN(C)c1ccc(CNC(=O)CCc2ccc3c(c2)OCO3)cc1 10165733 CCDGGQZPMKDVAL-UHFFFAOYSA-N 326.396 2.730 10 40 EFCB O=C1c2ccccc2N[C@H](c2ccc(O)c(O)c2)N1C[C@@H]1CCCO1 8780468 IOSPCTOFZAANEG-UGSOOPFHSA-N 340.379 2.843 10 40 EFCB O=C(Cc1c[nH]c2ccccc12)NCc1cc([N+](=O)[O-])ccc1O 35739268 RXCBJOOYXVKGKG-UHFFFAOYSA-N 325.324 2.641 10 40 EFCB COc1cc(S(=O)(=O)Nc2ccc(O)cc2C(C)=O)ccc1F 390833506 IMQJTPXZCOQWPG-UHFFFAOYSA-N 339.344 2.543 10 40 EFCB CN(Cc1ccc(N(C)C)cc1)C(=O)COc1ccccc1[N+](=O)[O-] 18188299 SKLCITUWVZIJCD-UHFFFAOYSA-N 343.383 2.698 10 40 EFCB COc1ccc(N2CCN(C(=O)c3ccc(N)cc3Cl)CC2)cc1 256054697 XKDNLWBPZOPJQA-UHFFFAOYSA-N 345.830 2.893 10 40 EFCB Cn1cc(CCC(=O)NCc2ccc(N3CCCCC3)cc2)cn1 62223282 GHEKVPCGSWDKQE-UHFFFAOYSA-N 326.444 2.659 10 40 EFCB COc1cccc(C[C@@H]2CN(C)Cc3c2ccc(OC)c3O)c1O 3848603 OUJWSXCGISMENG-CYBMUJFWSA-N 329.396 2.887 10 40 EFCB biogenic Oc1ccc(C2=Nn3c(nnc3-c3ccc(F)cc3)SC2)cc1O 527614 BTSFZBFAMZEYPZ-UHFFFAOYSA-N 342.355 2.854 10 40 EFCB COCCn1c(C)cc(/C=C2/NC(=O)N(c3ccccc3)C2=O)c1C 4699000 FVGYPJJFPCJUGG-SFQUDFHCSA-N 339.395 2.849 10 40 EFCB O=C(CCNCc1cc(Br)ccc1O)N1CCCCC1 78394113 PBKIZVSGZGHRHX-UHFFFAOYSA-N 341.249 2.647 10 40 EFCB CCCCN1C(=O)NC(=O)/C(=C/N[C@@H]2C[C@H]3CC[C@@]2(C)C3(C)C)C1=O 101254405 CZDQBOZKBPDLHX-VMHVIOFXSA-N 347.459 2.553 10 40 EFCB CCN1C(=O)N/C(=C\c2ccc(-c3cccc(C(=O)O)c3)o2)C1=O 4690362 OTQVNHJQQLQSAQ-LCYFTJDESA-N 326.308 2.557 10 40 EFCB O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C\Nc1cccc(Cl)c1 408547081 SGQVIPLVMSSXHK-JYRVWZFOSA-N 345.742 2.507 10 40 EFCB CCN1C(=O)/C(=C\c2cc3c(cc2[N+](=O)[O-])OCO3)SC1=S 4838782 UCDJRNAFZAEBRB-NYYWCZLTSA-N 338.366 2.545 10 40 EFCB O=C1NN(c2ccccc2)C(=O)/C1=C/c1ccc(N2CCCC2)cc1 6276859 DYHMFJQMNDGTHW-NBVRZTHBSA-N 333.391 2.748 10 40 EFCB Cn1ccnc1C(=O)C(=O)c1c(-c2ccccc2)nc2ccccn12 15910908 QORRRKNDAKGMBY-UHFFFAOYSA-N 330.347 2.800 10 40 EFCB C[C@H]1CCc2cc(F)ccc2N1S(=O)(=O)c1cccc2nonc12 17072238 ZYHLSZFZESQFHO-JTQLQIEISA-N 347.371 2.892 10 40 EFCB Cc1cc(=O)oc2c(CN3CC[C@]4(O)CCCC[C@@H]4C3)c(O)ccc12 1554502587 QYRIHSOITNEDOL-JLTOFOAXSA-N 343.423 2.934 10 40 EFCB CCCC[C@@H](C(=O)O)N1C(=O)/C(=C/c2cccnc2)SC1=S 4193749 SAOQWLLQSLKEOS-LCFDYFRESA-N 336.438 2.926 10 40 EFCB CCN(CC)c1ccc(CNC(=O)[C@H]2C[C@@H]2c2cnn(C)c2)cc1F 66841407 GBHSIPUQHOHFFX-CVEARBPZSA-N 344.434 2.825 10 40 EFCB Cc1ccc(O)c(/C=C2/C(=O)NN(c3cccc(Cl)c3)C2=O)c1 5698000 PVUBGIANLZUVFH-ZSOIEALJSA-N 328.755 2.815 10 40 EFCB Cc1cc(/C=C/[N+](=O)[O-])c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 59249858 BLOMHTGDHYHFDL-ONEGZZNKSA-N 330.296 2.738 10 40 EFCB Cc1ccccc1[C@@H]1CC(c2ccccc2O)=NN1S(C)(=O)=O 11692692 VWEDLEFRMNARQW-INIZCTEOSA-N 330.409 2.811 10 40 EFCB C[C@@H](NCc1ccc(N2CCOCC2)c(F)c1)[C@@H](C)n1cccn1 69372341 QMZULVRIGSMLCD-HUUCEWRRSA-N 332.423 2.598 10 40 EFCB CN1CCN([C@H](c2ccncc2)c2ccc3cccnc3c2O)CC1 20507241 NQXCTRCPZLXMMO-LJQANCHMSA-N 334.423 2.672 10 40 EFCB CN(C)C(=O)c1ccccc1NC(=O)N(C)Cc1ccccc1O 47502575 GKAVZMKMAJWNTG-UHFFFAOYSA-N 327.384 2.758 10 40 EFCB CCOc1ccc(N/C=C2\C(=O)N=C(S)N([C@H](C)CC)C2=O)cc1 103099587 VBMPSMMXPIZFGM-ZTMOJVSCSA-N 347.440 2.834 10 40 EFCB COc1ccc(CCN2C(=O)C(C)(C)SC2=S)cc1OC 585152503 SMDQFOXBQHCVNK-UHFFFAOYSA-N 325.455 2.885 10 40 EFCB CN(C)c1ccc(CNC(=O)C[C@@H]2OC(=O)c3ccccc32)cc1F 58733748 FQEHQYVMDHNRKF-KRWDZBQOSA-N 342.370 2.810 10 40 EFCB CCCCN1C(=O)NC(=O)/C(=C/N[C@H]2C[C@@H]3CC[C@]2(C)C3(C)C)C1=O 101508346 CZDQBOZKBPDLHX-TXNNZLPESA-N 347.459 2.553 10 40 EFCB CCC[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc(C=O)cc2)SC1=S 5375010 PMXYARXUNGBKNG-YFBAIUBQSA-N 349.433 2.954 10 40 EFCB C[C@H]1CN(c2ccc(CNC(=O)c3ccncc3)cc2F)C[C@H](C)O1 55529929 WKWJVVUMVLBMSN-KBPBESRZSA-N 343.402 2.764 10 40 EFCB Cc1c(C)c2ccc(O)c(CN[C@H](CC(C)C)C(=O)O)c2oc1=O 35686306 ADDSHZUIJALYMV-CQSZACIVSA-N 333.384 2.704 10 40 EFCB CCNC(=O)NC(=O)CSc1ncc(-c2ccccc2)n1CC 7126094 RPOJNHFIWCQLCI-UHFFFAOYSA-N 332.429 2.508 10 40 EFCB Cc1ccc(C2=NN(C(=O)/C=C/C(=O)O)[C@H](c3ccccc3O)C2)o1 80316126 ZKIUPPXJHIVVPF-VFNNOXKTSA-N 340.335 2.612 10 40 EFCB O=c1cc(-c2ccco2)oc2ccc(O)c(CN3CCOCC3)c12 19794114 YJHHTYMOUMTCIF-UHFFFAOYSA-N 327.336 2.591 10 40 EFCB O=C1NC(=O)N(c2cccc(F)c2)C(=O)/C1=C/c1ccc(F)cc1 408914409 XUGOEGVFSDFVBB-RIYZIHGNSA-N 328.274 2.631 10 40 EFCB Cc1cn(C)nc1CN[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 1560328903 MWCSGKOBEAFSFD-MRXNPFEDSA-N 348.878 2.842 10 40 EFCB CC1=NN(c2ccccc2)C(=O)[C@@H]1/N=N/c1ccc(O)c(C(=O)O)c1 101954022 WNZHTWQYKDAJSH-AMGRQBIBSA-N 338.323 2.965 10 40 EFCB CCc1ccccc1NC(=O)C(=O)N[C@@H](C)c1cc(OC)ccc1O 69698998 GXLVFLMZRUWOEA-LBPRGKRZSA-N 342.395 2.779 10 40 EFCB COc1ccc(C(=O)NCc2ccc(N(C)C)cc2)c(OC)c1OC 8170782 MLUXXINZSJOHFT-UHFFFAOYSA-N 344.411 2.708 10 40 EFCB COc1ccc2c(c1O)CN1CCc3cc4c(cc3[C@@H]1C2)OCO4 29747010 PQECCKIOFCWGRJ-HNNXBMFYSA-N 325.364 2.785 10 40 EFCB biogenic,in-vitro COc1ccc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 4685301 AFHKFTNYWWGHCB-UHFFFAOYSA-N 326.396 2.666 10 40 EFCB Cc1nc(=O)cc([C@@H]2CCN(Cc3ccc(N4CCCC4)cc3)C2)[nH]1 19285237 VGSIMGXMMCTGGC-QGZVFWFLSA-N 338.455 2.668 10 40 EFCB CN(C)c1ccc([C@@H](CNC(=O)Cc2ccc(F)cc2)N(C)C)cc1 5097708 MBCDZVTYTIPFGI-LJQANCHMSA-N 343.446 2.853 10 40 EFCB O=C1N=C(O)/C(=C\c2ccco2)C(=O)N1CCc1ccc(F)cc1 2282584 RVOZFJAPMHWAMU-GXDHUFHOSA-N 328.299 2.964 10 40 EFCB CCCOc1ccc(/C=C2/SC(N3CCOCC3)=NC2=O)cc1 1801479 DUZDKGNDUHMDKK-NTCAYCPXSA-N 332.425 2.778 10 40 EFCB Cc1ccc(N2C(=O)/C(=C/c3ccco3)C(=O)NC2=S)c(C)c1 409139323 MXSJQJUCTCOQGK-UKTHLTGXSA-N 326.377 2.728 10 40 EFCB CCN(C)c1ccc(CNC(=O)c2c(C)nn3cccnc23)cc1F 78912088 SZGDIXAUARPEDN-UHFFFAOYSA-N 341.390 2.563 10 40 EFCB COc1ccc2ccc(O)c(CN3CCN(C(=O)C4CC4)CC3)c2c1 23717516 DJXQMVAKRZSPNE-UHFFFAOYSA-N 340.423 2.608 10 40 EFCB COCc1ccc(C(=O)NCc2ccc(N3CCSCC3)cc2)o1 97497181 YITZXWHOCHQWLX-UHFFFAOYSA-N 346.452 2.909 10 40 EFCB CCN(Cc1ccc2c(c1)OCCO2)C(=S)NCc1ccco1 6541528 JZAYIIVRRWBWMU-UHFFFAOYSA-N 332.425 2.947 10 40 EFCB Cc1ccccc1N1C(=O)/C(=C/c2ccc(O)cc2)C(=O)NC1=S 3189399 MMORKXLHBSGERQ-GXDHUFHOSA-N 338.388 2.532 10 40 EFCB COc1cccc(/C=C2/C(=O)NN(c3cccc(Cl)c3)C2=O)c1 4094124 JQUBNHILWJXAKG-DHDCSXOGSA-N 328.755 2.810 10 40 EFCB CC(C)(C)c1cc(O)c(O)c(CN2CCN(c3ncccn3)CC2)c1 12569485 AEBILSKHWKWMQW-UHFFFAOYSA-N 342.443 2.508 10 40 EFCB O=C1/C(=C\c2ccc(N3CCOCC3)cc2)SC(=S)N1C1CC1 96935950 SRWGVURUVJJILG-RVDMUPIBSA-N 346.477 2.887 10 40 EFCB CCCC1=C(C(=O)OCC)[C@@H](c2ccc(N(C)C)cc2)NC(=S)N1 408604097 DIIZGOFIDCYXGK-MRXNPFEDSA-N 347.484 2.889 10 40 EFCB COc1ccc(N(Cc2ccco2)Cc2nnnn2C2CC2)cc1F 96417471 JIYVRGWQSXNQNJ-UHFFFAOYSA-N 343.362 2.956 10 40 EFCB CC1=NN(c2ccccc2)C(=O)/C1=C/Nc1ccc(O)c(C(=O)O)c1 13879894 NLBCELJQHBEUJT-XNTDXEJSSA-N 337.335 2.809 10 40 EFCB COc1cc2oc(-c3ccc(O)c(O)c3)cc(=O)c2c(O)c1OC 4098510 IMEYGBIXGJLUIS-UHFFFAOYSA-N 330.292 2.594 10 40 EFCB biogenic,in-vitro CCN(CC)c1ccc(/C=C2\SC(N3CCOCC3)=NC2=O)cc1 13547645 FNMQTOPJOIFGTJ-SSZFMOIBSA-N 345.468 2.835 10 40 EFCB CC(C)[C@@H](C)NC(=O)CN(Cc1ccccc1O)C[C@@H]1CCCO1 70976344 RPYNJRYURCJDMH-WBVHZDCISA-N 334.460 2.534 10 40 EFCB CCc1cccc(NC(=O)c2cc(NS(C)(=O)=O)ccc2O)c1 55107474 MAURFMUYZLSCSL-UHFFFAOYSA-N 334.397 2.578 10 40 EFCB CCOc1ccc(/C=C2\SC(=S)N(CCC(=O)O)C2=O)cc1 12504544 AYUXOHIOPIWDOF-XFXZXTDPSA-N 337.422 2.761 10 40 EFCB COc1ccc(C=C2C(=O)OC(C)(C)OC2=O)c(Br)c1 521399253 MWUWOEURAFSBEH-UHFFFAOYSA-N 341.157 2.677 10 40 EFCB Cn1ncc2c(NCc3ccc(N4CCSCC4)cc3)ncnc21 48353570 WRBOLZBDBMRNQO-UHFFFAOYSA-N 340.456 2.529 10 40 EFCB CCCN(Cc1ccccc1O)C(=O)Nc1cnn(CCOC)c1 69771490 AFXUJVMUUGGMJP-UHFFFAOYSA-N 332.404 2.679 10 40 EFCB CCN1C(=O)/C(=C/c2c(OC)cc(OC)cc2OC)SC1=S 298659826 JGJWDQDPPSFHFH-JYRVWZFOSA-N 339.438 2.934 10 40 EFCB COc1ccc2nc3ccccc3c(NCCNC[C@H](C)O)c2c1 4428779 HTYURTLQTGVNJH-ZDUSSCGKSA-N 325.412 2.779 10 40 EFCB Cc1ccc(-n2c(C)ccc2C)c(C(=O)N[C@H]2CCCCNC2=O)c1 63502828 AFQJRAVAUBHKBV-KRWDZBQOSA-N 339.439 2.801 10 40 EFCB Cc1ccc(C)c(N2C(=O)NC(=O)/C(=C\c3ccccc3O)C2=O)c1 408885705 FFZYVQZPNUBARG-GXDHUFHOSA-N 336.347 2.675 10 40 EFCB O=C(O)[C@@H]1Nc2c(I)cccc2[C@H]2C=CC[C@@H]21 4409917 CNQHYGCDWZHJEN-VFWDIBGWSA-N 341.148 2.830 10 40 EFCB biogenic,in-vitro O=C(Nc1cccc(N2CCOCC2)c1)c1cc(F)ccc1[N+](=O)[O-] 69512243 COHOAJCYRGVDDW-UHFFFAOYSA-N 345.330 2.823 10 40 EFCB O=C(Nc1cccc(N2CCOCC2)c1)c1cc(F)c(O)c(F)c1 97377432 SZDVMAPIFWDUDC-UHFFFAOYSA-N 334.322 2.759 10 40 EFCB CC[C@H](NCc1cccc(S(=O)(=O)NC)c1)c1ccccc1O 95940781 IUXXSQICYQPXGD-INIZCTEOSA-N 334.441 2.541 10 40 EFCB CC[C@H]1CN(C(=O)C2CC2)CC[C@H]1NCc1ccc2c(c1)CCO2 89948980 UJEHGOYVNYSYEJ-MAUKXSAKSA-N 328.456 2.748 10 40 EFCB Cc1noc(C2(NCc3cc(Cl)cc(F)c3O)CCOCC2)n1 585140127 DPBODHIRGCUCAI-UHFFFAOYSA-N 341.770 2.672 10 40 EFCB COc1cccc(CNC(=O)C(=O)Nc2cccc(Cl)c2C)c1O 77837639 MJSJXHHVAOHQSK-UHFFFAOYSA-N 348.786 2.618 10 40 EFCB Cc1cc(CNC(=O)[C@@H](C)NC(=O)c2cccs2)ccc1N(C)C 69696619 VXWRCYSQILJFPW-CYBMUJFWSA-N 345.468 2.557 10 40 EFCB CC(C)n1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c2ccccc21 4123203 OZXFAPDQUCRYIP-UHFFFAOYSA-N 325.368 2.656 10 40 EFCB CCOc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)ccc1OC 4592241 LIABJGSUPKVMOT-RVDMUPIBSA-N 338.363 2.555 10 40 EFCB O=C1N=C(Nc2nccs2)S/C1=C1\C(=O)Nc2ccccc21 6606249 SVCWLRFEWACRMZ-KTKRTIGZSA-N 328.378 2.548 10 40 EFCB O=C1NC(=S)S/C1=C\c1cccn1Cc1ccccc1[N+](=O)[O-] 409333578 UQWJQNQELVDAON-JYRVWZFOSA-N 345.405 2.933 10 40 EFCB O=C(NC[C@H]1CCCO1)N(Cc1ccco1)Cc1ccccc1O 60063941 VXUKTKUODISPEL-OAHLLOKOSA-N 330.384 2.876 10 40 EFCB COc1cc2c(cc1OC)CN(C(=S)NCc1ccco1)CC2 2205194 AZOJKUONDFSDLP-UHFFFAOYSA-N 332.425 2.730 10 40 EFCB Cc1cc(C)c2c(N)c(C(=O)OCC(=O)NC(C)(C)C)sc2n1 10645013 LFWWFPCUDIXVHD-UHFFFAOYSA-N 335.429 2.567 10 40 EFCB CC(C)(C)NC(=O)CCN1C(=O)/C(=C\c2ccco2)SC1=S 4745542 QWHXUGVUBZTEJA-PKNBQFBNSA-N 338.454 2.786 10 40 EFCB NC(=O)c1ccc(C(=O)NCc2ccc(N3CCCCC3)cc2)cc1 62225199 MCBJWWZPLTXGLZ-UHFFFAOYSA-N 337.423 2.706 10 40 EFCB CS[C@@H](C)CC(=O)N[C@@H](C)c1ccc(N2CCN(C)CC2)cc1 97021854 MJKUIZKJTOBVQP-GJZGRUSLSA-N 335.517 2.757 10 40 EFCB CC[C@@H](NCc1cccc(S(=O)(=O)NC)c1)c1ccccc1O 95940782 IUXXSQICYQPXGD-MRXNPFEDSA-N 334.441 2.541 10 40 EFCB O=[N+]([O-])c1ccc(-c2nnc3n2N[C@H](c2ccccc2O)S3)cc1 3843220 IZTIGNTTWZUYHE-AWEZNQCLSA-N 341.352 2.907 10 40 EFCB biogenic CCCC1=NN(c2ccc(F)cc2)C(=O)/C1=C/NC[C@@H]1CCCO1 100111164 CHPYWDOGDKGDCA-DLEKYWELSA-N 331.391 2.981 10 40 EFCB CC[C@@H](C(=O)O)N1C(=O)/C(=C\c2nc3ccccc3[nH]2)SC1=S 27533776 XYEZQKRNHXYQLM-VUBLIPMDSA-N 347.421 2.627 10 40 EFCB Cc1cc(C(=O)N2CCC3(C2)OCCO3)c(C)n1-c1ccc(F)cc1 65514561 BAHZNISQGULWAO-UHFFFAOYSA-N 344.386 2.822 10 40 EFCB COC(=O)c1cccc(NC(=S)NCCN(C)c2ccccc2)c1 225571523 NMGHHUHMZBWXJV-UHFFFAOYSA-N 343.452 2.896 10 40 EFCB COc1ccccc1N1C(=O)NC(=O)/C(=C\C=C\c2ccco2)C1=O 86756 SHTVFFSGJJLIFG-HDZFOZLDSA-N 338.319 2.511 10 40 EFCB COc1ccc(N2CCN(C(=O)c3ccc(C)c(N)c3)CC2)cc1 256052540 NTBFTZYLDSNTMN-UHFFFAOYSA-N 325.412 2.548 10 40 EFCB COC(=O)C1=CN(c2cccc(OC)c2)c2ccccc2S1(=O)=O 64979138 CKWHPRCDVHHZJL-UHFFFAOYSA-N 345.376 2.635 10 40 EFCB CCN1C(=O)/C(=C/c2ccc(OCCC(=O)O)cc2)SC1=S 89977111 LKZUHWHUNPYWPD-XFXZXTDPSA-N 337.422 2.761 10 40 EFCB COCCN1C(=O)/C(=C\c2ccc3c(c2)C[C@H](C)O3)SC1=S 2431114 QJBDFHBMPDYHAD-RSYJBZMQSA-N 335.450 2.858 10 40 EFCB CCN1C(=O)N/C(=C/c2cc(C)n(-c3ccc(O)cc3)c2C)C1=O 409225826 LSSKKQKSBHZMOV-MHWRWJLKSA-N 325.368 2.712 10 40 EFCB COc1cccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)c1 5097766 DTVRAWWGZAQULT-LJQANCHMSA-N 341.455 2.794 10 40 EFCB biogenic Cc1ccc(N2C(=O)NC(=O)/C(=C\Nc3cccc(C)c3)C2=O)cc1 16662469 PXFSVSAFIUNVFJ-LFIBNONCSA-N 335.363 2.882 10 40 EFCB COc1ccc(N2C(=O)N=C(O)/C(=C/c3cccn3C)C2=O)cc1 17029260 SLRHAGOQJRIGGA-UVTDQMKNSA-N 325.324 2.540 10 40 EFCB CC1=NN(c2ccccc2)C(=O)/C1=C\Nc1ccc2[nH]c(=O)[nH]c2c1 13372530 MMEOSEHSMKAOOM-UVTDQMKNSA-N 333.351 2.575 10 40 EFCB CCCC[C@@H](C(=O)O)N1C(=O)/C(=C\c2cccn2C)SC1=S 5371649 ITIMMRBHCBVKJH-UTEVDWOZSA-N 338.454 2.870 10 40 EFCB COCCCN/C(C)=C1\C(=O)N(c2nc3ccccc3s2)N=C1C 100423016 XPWFREXTSYQIKH-PTNGSMBKSA-N 344.440 2.919 10 40 EFCB Cc1ccc(C)n1-c1ccc(C(=O)NCCNc2ncccn2)cc1 47104247 WDMBEXWXATVLKC-UHFFFAOYSA-N 335.411 2.726 10 40 EFCB Nc1nc(Cl)cc(NCc2ccc(N3CCC(CO)CC3)cc2)n1 44976850 PKIHHHRASKJEIX-UHFFFAOYSA-N 347.850 2.533 10 40 EFCB Cc1cc(C(=O)COC(=O)c2cnccn2)c(C)n1-c1ccccc1 3509809 DQGBBSCELQIXNO-UHFFFAOYSA-N 335.363 2.924 10 40 EFCB C[C@@H](NC(=S)Nc1cccnc1)c1ccc(N2CCOCC2)cc1 225839855 DEKGQIGRGRXHJO-CQSZACIVSA-N 342.468 2.966 10 40 EFCB O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccccc1O 5771211 TYCBYDQIAWIINP-UKTHLTGXSA-N 342.738 2.712 10 40 EFCB CN(Cc1ccc(N2CCCCC2)cc1)C(=O)CNC(=O)C(C)(C)C 12750049 DGLMPLFCVPKBRJ-UHFFFAOYSA-N 345.487 2.798 10 40 EFCB CC(C)CCN(C)c1ccc(C=C2C(=O)N(C)C(=O)N(C)C2=O)cc1 4063547 GSHYBMHWKZODAV-UHFFFAOYSA-N 343.427 2.603 10 40 EFCB O=C1CCc2cc(N3CCN(C(=O)c4ccccc4)CC3)ccc2N1 39429334 LQLRSDWGVVYEEN-UHFFFAOYSA-N 335.407 2.534 10 40 EFCB CN(C)c1ccc(CN(CC(F)(F)F)C(=O)[C@@H]2CCCO2)cc1 71799919 ILLKYRSQPUHCMN-AWEZNQCLSA-N 330.350 2.823 10 40 EFCB CN(C)c1ccc(/C=C/C(=O)NCCN2CCc3ccccc3C2)cc1 30317412 BVJNMJASDSGFIH-FMIVXFBMSA-N 349.478 2.940 10 40 EFCB COc1ccc(N2CCCN(C(=O)Cc3c(C)noc3C)CC2)cc1 55877773 ANSMJXILPKRMBK-UHFFFAOYSA-N 343.427 2.581 10 40 EFCB O=C(NCc1ccc(N2CCCC2)cc1)NCc1cn2ccccc2n1 44950787 PRNUTBVWPQXLGD-UHFFFAOYSA-N 349.438 2.934 10 40 EFCB COc1ccc2c(c1)CCCN2Cc1cc(=O)n2cc(C)ccc2n1 14703366 JMKKRLSYWFXPHD-UHFFFAOYSA-N 335.407 2.964 10 40 EFCB C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)NCCCSc1nccs1 89937319 ZFGPSMCPEBWNGJ-OLZOCXBDSA-N 342.534 2.607 10 40 EFCB Cc1nn(-c2ccccc2)c(C)c1S(=O)(=O)Nc1ccc(O)cc1 36366432 PZEYNCJTGOFSFQ-UHFFFAOYSA-N 343.408 2.996 10 40 EFCB CC(C)(C)CC(C)(C)N1CCN(C(=O)Cc2ccc(O)c(O)c2)CC1 1624162910 FSVWNEMIXJPXTL-UHFFFAOYSA-N 348.487 2.999 10 40 EFCB CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cccc(C(=O)OC)n1 65552100 XKWJPMUENZOAON-UHFFFAOYSA-N 341.411 2.597 10 40 EFCB O=C(C[C@@H]1SC(=S)NC1=O)Nc1cc(Cl)ccc1Cl 34926791 WLBBJPUTBUOIFJ-QMMMGPOBSA-N 335.237 2.839 10 40 EFCB CCOC(=O)[C@H]1Cc2ccccc2CN1Cc1ccc(O)c(O)c1 199415993 OZOZCAHLRZARPL-MRXNPFEDSA-N 327.380 2.588 10 40 EFCB C[C@H]1CN(C(=O)Cc2ccc(N)cc2)C[C@H](c2ccc(F)cc2)O1 160506673 JIAOXMGHHZRYMF-SCLBCKFNSA-N 328.387 2.939 10 40 EFCB CCCCC(=O)NN1C(=O)/C(=C/c2ccc(C=O)cc2)SC1=S 5552962 VNNSFBFKMCHDRE-LCYFTJDESA-N 348.449 2.922 10 40 EFCB COC(=O)C1=C(C)N(C(C)C)C(=O)/C1=C\c1ccc(N(C)C)cc1 59959479 WTUVCKQTUXCWLK-WJDWOHSUSA-N 328.412 2.834 10 40 EFCB C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)/C=C/c1nc2ccccc2o1 96011689 QPOUTZDBEVYLLZ-BCPZQOPPSA-N 338.363 3.000 10 40 EFCB COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2cc(C)ccc2C)c1 71803514 VGLAHCGHSXCXTC-CYBMUJFWSA-N 342.395 2.834 10 40 EFCB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cccc(F)c1 12608323 KGAJVUIRSOEKKY-UHFFFAOYSA-N 328.387 2.935 10 40 EFCB COC(=O)C1=C(C)N(Cc2ccco2)C(=O)/C1=C\c1cccc(O)c1 59435763 SYOFHVRVSGRIFH-YBEGLDIGSA-N 339.347 2.858 10 40 EFCB Cc1c(CC(=O)NC2CCCCCC2)c(=O)oc2c(O)c(O)ccc12 6660633 DPEZNMLSQWTKTL-UHFFFAOYSA-N 345.395 2.894 10 40 EFCB Cc1ccc(-c2ccc(/C=C3/C(=O)NC(=O)N=C3O)o2)cc1[N+](=O)[O-] 4704211 OHPXEFMTINCSME-UHFFFAOYSA-N 341.279 2.753 10 40 EFCB C[C@H]1Oc2ccccc2C=C1/C=C1\SC(=S)N(CCO)C1=O 98086544 SNBNMNKXZNZUNT-AHEVQNHNSA-N 333.434 2.587 10 40 EFCB Cc1ccc(/C=C2/C(=O)NC(=O)N(CCC3=CCCCC3)C2=O)o1 502342 FCXZLWGRWONKFT-PTNGSMBKSA-N 328.368 2.940 10 40 EFCB CN(Cc1ccc(N2CCOCC2)cc1)Cc1noc(C(C)(C)C)n1 48286873 LPDBTVIJUVPMSX-UHFFFAOYSA-N 344.459 2.836 10 40 EFCB Cc1ccc(N2C(=O)NC(=O)/C(=C/c3cccc(O)c3)C2=O)c(C)c1 408935662 ILDOXGRAMWBQKG-GDNBJRDFSA-N 336.347 2.675 10 40 EFCB COc1ccccc1/C=C1/C(=O)NN(c2cccc(Cl)c2)C1=O 32109747 PYISUPVLZTXYCG-ZROIWOOFSA-N 328.755 2.810 10 40 EFCB COCCN1C(=O)/C(=C/c2ccc(OC)cc2OC)SC1=S 9189369 OSTOIMBCRHAYNL-JYRVWZFOSA-N 339.438 2.551 10 40 EFCB O=C1NC(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1ccc(O)cc1 59502720 BJAMZBKNKFXNPQ-FMIVXFBMSA-N 342.738 2.712 10 40 EFCB CCOc1ccc(CN[C@@H]2CCCC[C@H]2S(C)(=O)=O)cc1C 95985025 FFKAWIJXYVVERN-NVXWUHKLSA-N 325.474 2.839 10 40 EFCB COc1ccc(N(C)CCNC(=S)Nc2ccc(C)cn2)cc1 225799399 KECLZTYIMGHUCU-UHFFFAOYSA-N 330.457 2.821 10 40 EFCB CC1=NN(C(=O)c2ccccc2)C(=O)/C1=C/c1ccc2c(c1)OCO2 408933857 BTUGEUJTVRJTHX-OQLLNIDSSA-N 334.331 2.857 10 40 EFCB CCCN1C(=O)/C(=C\c2cccc(OCC)c2O)C(C(=O)OC)=C1C 574459 XFZAMPOHSLKRGB-KAMYIIQDSA-N 345.395 2.874 10 40 EFCB COc1cc2c(cc1O)CN1Cc3c(cc(OC)c(OC)c3O)[C@H]2C1 3847204 ICHIVKWLKWUUDS-ZDUSSCGKSA-N 343.379 2.585 10 40 EFCB biogenic C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)NCCCSc1nccs1 107519146 ZFGPSMCPEBWNGJ-CHWSQXEVSA-N 342.534 2.607 10 40 EFCB CC[C@H]1SC(=S)N(CC(=O)Nc2ccc(Cl)cc2)C1=O 11635569 GMNPTXTUMREZAS-SNVBAGLBSA-N 328.846 2.917 10 40 EFCB C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(C)Cc1ccccc1O 69818248 VIBWUTUKEXBWHO-GFCCVEGCSA-N 329.356 2.759 10 40 EFCB O=C(CCC(=O)c1cccs1)NCc1cc([N+](=O)[O-])ccc1O 34873223 XUOXETYCNIYEEP-UHFFFAOYSA-N 334.353 2.641 10 40 EFCB Cc1cc(NC(=O)CSc2nc3cc(F)c(F)cc3[nH]2)n(C)n1 32906246 WFJMAEOUOJUSFI-UHFFFAOYSA-N 337.355 2.614 10 40 EFCB CCOC(=O)c1c(NC(=O)CCC(=O)O)sc2c1CC[C@@H](C)C2 356523 YQBOXYLARGFHPN-SECBINFHSA-N 339.413 2.853 10 40 EFCB C[C@@H](NC(=O)NCc1cscn1)c1ccc(N2CCOCC2)cc1 69568798 UTTKYAHXWQPJKG-CYBMUJFWSA-N 346.456 2.540 10 40 EFCB COc1ccc(N(C)CCn2cnc3ccsc3c2=O)cc1OC 76091341 UUZPZBSGAHMXFH-UHFFFAOYSA-N 345.424 2.612 10 40 EFCB CCCn1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c2ccccc21 531195 ZTGWKGQCFYIYLY-UHFFFAOYSA-N 341.436 2.650 10 40 EFCB C[C@H](C(=O)NCc1ccc(N(C)C2CCCCC2)cc1)n1cncn1 58213270 WTEAKVCIKCTMKN-OAHLLOKOSA-N 341.459 2.924 10 40 EFCB O=C1C[C@@H](O)[C@@H]2C(=O)c3c(c(Cl)c4ccccc4c3O)C(=O)[C@@H]2C1 104234405 CBVOWADHBSBAOM-IJLUTSLNSA-N 344.750 2.534 10 40 EFCB CC(=O)N[C@H](C(=O)N(C)Cc1ccc(N2CCCCC2)cc1)C(C)C 10962056 VPHNNAVFLWJSQT-IBGZPJMESA-N 345.487 2.796 10 40 EFCB CC(=O)OCC(=O)c1cc(C)n(-c2ccc3c(c2)OCCO3)c1C 6832163 WHWYUXVTJLXSMS-UHFFFAOYSA-N 329.352 2.611 10 40 EFCB COc1cc2c(cc1OC)CN(Cc1cc3c(cc1O)OCO3)CC2 7076434 HTFXSRSLQGIOAI-UHFFFAOYSA-N 343.379 2.696 10 40 EFCB Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2/C(=O)NC(=O)N=C2O)o1 3140086 RCLZDPJQKYDEOF-UHFFFAOYSA-N 341.279 2.753 10 40 EFCB CCOc1ccccc1/C=C1\SC(=S)N(CCC(=O)O)C1=O 13343395 QVFVUVSYXYZIFQ-XFXZXTDPSA-N 337.422 2.761 10 40 EFCB COc1ccc(CCN(C)Cc2cc3c(cc2O)OCO3)cc1OC 8728425 JERPYTRLNZLCCL-UHFFFAOYSA-N 345.395 2.813 10 40 EFCB c1ccc(-n2cc(CNCc3ccc(N4CCOCC4)cc3)cn2)cc1 48710739 FTWNUYMCRGCMOC-UHFFFAOYSA-N 348.450 2.999 10 40 EFCB C[C@@H]1Oc2ccccc2C=C1/C=C1\SC(=S)N(CC(=O)O)C1=O 5346845 RODGZGJMGAPWNS-XSHGTHSTSA-N 347.417 2.680 10 40 EFCB CN(C)CCc1c2c(nc3ccccc13)C(=O)c1cccnc1C2=O 1857523 CFHWMIRGIMFRIH-UHFFFAOYSA-N 331.375 2.509 10 40 EFCB O=C1/C(=C/c2ccncc2)C(O)=NC(=S)N1c1ccccc1F 59135788 NCOQCTDZSKZCQN-PKNBQFBNSA-N 327.340 2.892 10 40 EFCB O[C@H](CNCc1ccc(N2CCOCC2)cc1)c1ccc(F)c(F)c1 71819551 OQECKOLILUDQGT-LJQANCHMSA-N 348.393 2.625 10 40 EFCB CCOC(=O)c1c(C)n(C)c2cc(Br)c(O)c(O)c12 448363 IHNVIGMYLGNLIA-UHFFFAOYSA-N 328.162 2.837 10 40 EFCB biogenic CCOc1ccc(S(=O)(=O)NCc2ccc(N(C)C)cc2)cc1 7908269 XZRHPHFQNWFCAC-UHFFFAOYSA-N 334.441 2.630 10 40 EFCB CCCOc1ccc(/C=C2\SC(N3CCOCC3)=NC2=O)cc1 12436780 DUZDKGNDUHMDKK-QINSGFPZSA-N 332.425 2.778 10 40 EFCB COc1ccc(O)c([C@@H](C)NC(=O)[C@@H](C)Cc2c(C)n[nH]c2C)c1 95445906 VSDOGJSVXDNFOK-WDEREUQCSA-N 331.416 2.797 10 40 EFCB Cn1cccc1/C=C1/SC(=S)N(CCCCCC(=O)O)C1=O 2244650 QBLRLFRHPFDFBZ-ZRDIBKRKSA-N 338.454 2.871 10 40 EFCB CN(Cc1ccccc1O)C(=O)Nc1ccc(CS(C)(=O)=O)cc1 58459906 ASANNERTGAXAKC-UHFFFAOYSA-N 348.424 2.601 10 40 EFCB CCCN(Cc1ccccc1O)C(=O)c1ccc2c(c1)[nH]c(=O)n2C 71875046 GUKJPDFNTMUGRB-UHFFFAOYSA-N 339.395 2.625 10 40 EFCB CN1C(=O)/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)C(=O)NC1=S 555553 LPXUWAZYAMHVFB-XYOKQWHBSA-N 346.795 2.857 10 40 EFCB COc1ccc(N2CCN(CC(=O)N3[C@@H](C)CCC[C@@H]3C)CC2)cc1 57579760 IGGDCKAHBNEOJM-IRXDYDNUSA-N 345.487 2.607 10 40 EFCB Cc1cc(C)nc(SC[C@@H]2CN[C@@H](c3ccc(N(C)C)cc3)O2)n1 55212180 YKMGPLLJVCPUMA-DLBZAZTESA-N 344.484 2.939 10 40 EFCB COCCN1C(=O)c2ccccc2N[C@@H]1c1cc(O)c(O)c(Cl)c1 48325055 AATCJYJVBBWWLJ-INIZCTEOSA-N 348.786 2.964 10 40 EFCB O=C1N=C(O)N(c2ccccc2)C(=O)/C1=C/Nc1ccc(F)cc1 8969502 BQSQMAWQPKRTPU-GXDHUFHOSA-N 325.299 2.609 10 40 EFCB CC(=O)NC1=NC(=O)/C(=C/c2cccc(Br)c2)S1 408735492 QPFXQQZJLNEVJD-POHAHGRESA-N 325.187 2.556 10 40 EFCB CCc1cc(S(=O)(=O)Nc2ccc3c(c2)OCO3)ccc1OC 74935050 IQYYRIOKPOKSBN-UHFFFAOYSA-N 335.381 2.787 10 40 EFCB C#CCOc1c(Cl)cc(/C=C2\SC(=S)NC2=O)cc1OC 5743686 MGDXBMLGJRQJNX-XFFZJAGNSA-N 339.825 2.849 10 40 EFCB Cc1nonc1/N=N/N(Cc1ccccc1[N+](=O)[O-])c1nonc1C 4119321 RRWAGHPIYOFOGM-XMHGGMMESA-N 344.291 2.683 10 40 EFCB O=c1[nH]c(/C=C/c2ccc(N3CCOCC3)cc2)nc2ccccc12 6909544 ABGCTDCXUKDTPI-JXMROGBWSA-N 333.391 2.930 10 40 EFCB Cc1ccc2nonc2c1S(=O)(=O)Nc1cc(F)ccc1F 32579218 PSWNEUGVMPRIKE-UHFFFAOYSA-N 325.296 2.610 10 40 EFCB CC[C@H](C)OC(=O)CN1C(=O)/C(=C/c2ccco2)SC1=S 1239035 AXVFXPWCWNZYOE-MKVDPYIPSA-N 325.411 2.823 10 40 EFCB c1ccc(-n2cncn2)c(CNCCCSc2nccs2)c1 78869793 XRHCHXDAARGYED-UHFFFAOYSA-N 331.470 2.996 10 40 EFCB COCCN1C(=O)/C(=C/c2ccc3c(c2)C[C@H](C)O3)SC1=S 2431116 QJBDFHBMPDYHAD-ADVUTCEVSA-N 335.450 2.858 10 40 EFCB O=C(CN1C(=O)/C(=C/c2ccccc2)SC1=S)N1CCCCC1 5370677 OBRNXDPMFUSWRX-KAMYIIQDSA-N 346.477 2.900 10 40 EFCB CCCC(CCC)C(=O)NCc1nnnn1-c1ccc(OC)cc1 9570349 SCURZBGQLMFBFT-UHFFFAOYSA-N 331.420 2.504 10 40 EFCB CCCN1CC[C@@H](CNC2CCN(c3ccc4c(c3)OCO4)CC2)C1 67786975 MOIITGCCUYUMMM-INIZCTEOSA-N 345.487 2.706 10 40 EFCB CN1CCN(C(=S)c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 9304691 OOOWFWGYSXTNSM-UHFFFAOYSA-N 331.397 2.778 10 40 EFCB COC(=O)C1=C(C)N(C(C)C)C(=O)/C1=C\c1cccc(OC)c1OC 59959471 ZWZLUGJCWGFATO-UVTDQMKNSA-N 345.395 2.785 10 40 EFCB CCCC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)NCCO 100163507 FYRBCYRKTUADBN-PTNGSMBKSA-N 344.440 2.655 10 40 EFCB COc1cccc(CNC(=O)Nc2ccc(F)c(NC(C)=O)c2)c1O 71856964 NEPFPMKGEVFMSA-UHFFFAOYSA-N 347.346 2.820 10 40 EFCB O=C1NN=C(C(F)(F)F)/C1=C\Nc1ccc(OC(F)(F)F)cc1 100409148 ZAFHRCQWMCABCB-VMPITWQZSA-N 339.195 2.929 10 40 EFCB O=[N+]([O-])c1ccc(/N=N\c2ccc(N(CCO)CCO)cc2)cc1 100077778 GHDZRIQTRDZCMV-ZCXUNETKSA-N 330.344 2.801 10 40 EFCB Cc1cc(C)cc(N2C(=O)/C(=C/c3ccoc3)C(=O)NC2=S)c1 409011982 PNOVVXFOINARHM-RIYZIHGNSA-N 326.377 2.728 10 40 EFCB CCCCOC(=O)CN1C(=O)/C(=C\c2ccco2)SC1=S 4482892 SLTLHHLAAAJKGB-DHZHZOJOSA-N 325.411 2.824 10 40 EFCB CSc1ccc(/C=C2\SC(=S)N(CC(=O)O)C2=O)cc1 33318264 FCOTYSVZGQLRTI-POHAHGRESA-N 325.436 2.694 10 40 EFCB O=C(C[C@@H]1SC(=S)NC1=O)Nc1cc(Cl)cc(Cl)c1 34926795 CXIUWMZLLOTKED-QMMMGPOBSA-N 335.237 2.839 10 40 EFCB Oc1ccccc1C1=NC2(CCNCC2)N[C@H](c2ccccc2O)C1 80324811 AMSCWUWRTWDEHU-INIZCTEOSA-N 337.423 2.701 10 40 EFCB COc1cccc(C2=NN(S(C)(=O)=O)[C@@H](c3ccccc3O)C2)c1 4942345 TYIRLXPJSSQDHI-MRXNPFEDSA-N 346.408 2.512 10 40 EFCB O=C1C[C@H](O)[C@@H]2C(=O)c3c(c(Cl)c4ccccc4c3O)C(=O)[C@H]2C1 104234402 CBVOWADHBSBAOM-SDDRHHMPSA-N 344.750 2.534 10 40 EFCB CCOc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1OC(C)=O 409352204 WQFPEUMQZDQDAW-JYRVWZFOSA-N 337.422 2.842 10 40 EFCB Oc1ccc(Br)cc1CNC1CCN(CC(F)F)CC1 78394198 DJXYTNQYGVNUOS-UHFFFAOYSA-N 349.219 2.974 10 40 EFCB CCCC1=NN(c2ccccc2)C(=O)/C1=C(/C)NCC(OC)OC 103917491 OKEZXRDPPAYNGA-LGMDPLHJSA-N 331.416 2.672 10 40 EFCB CCN1C(=O)/C(=C\c2ccc(OC(C)=O)c(OC)c2)SC1=S 409334362 XHTOHMYUEYQZJK-MDWZMJQESA-N 337.422 2.842 10 40 EFCB CC(=O)NC1=NC(=O)/C(=C\c2cc(Cl)cc(Cl)c2O)S1 409084765 QIRWXJWXSNYYBF-YCRREMRBSA-N 331.180 2.805 10 40 EFCB CN(Cc1cc([N+](=O)[O-])ccc1O)Cc1nccn1CC(F)(F)F 69704825 DMJDGGDBURXFIN-UHFFFAOYSA-N 344.293 2.691 10 40 EFCB COC(=O)[C@@H](C)N1C(=O)/C(=C/c2ccccc2F)SC1=S 1276911 DPQDAYBXHVAOHW-XNYAHFKXSA-N 325.386 2.588 10 40 EFCB COc1ccccc1/C=C1\SC(N2C[C@H](C)O[C@H](C)C2)=NC1=O 13765423 WQZMBIHFPSSTOE-NCXWJRGFSA-N 332.425 2.775 10 40 EFCB Cc1ccc(O)c([C@@H](c2ccc3c(c2)OCO3)N2CCOCC2)c1 19909770 IIYRPJXLNWSQNX-LJQANCHMSA-N 327.380 2.851 10 40 EFCB CC[C@H](C)[C@H](C(=O)O)N1C(=O)/C(=C\c2ccn(C)c2)SC1=S 5373979 XDYATQZBIMHXJA-HRPQUPTPSA-N 338.454 2.726 10 40 EFCB Cc1cc(CNC(=O)c2ccc(Cn3ccnc3)o2)ccc1N(C)C 96410489 KBERHFXOTBHZJE-UHFFFAOYSA-N 338.411 2.829 10 40 EFCB COc1ccccc1/C=C1\C(=O)NN(c2cccc(Cl)c2)C1=O 344832 PYISUPVLZTXYCG-NTEUORMPSA-N 328.755 2.810 10 40 EFCB Cc1cccc(-n2c(C)cc(C(=O)CN3CCCS3(=O)=O)c2C)c1 54205342 NWZIXHSIFADDJU-UHFFFAOYSA-N 346.452 2.621 10 40 EFCB O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1ccccc1F 5716834 UWLNVRUFLPKVFD-UKTHLTGXSA-N 328.274 2.631 10 40 EFCB Cc1nn(C)c(C)c1[C@H]1OCC[C@H]1CNCc1ccc2c(c1)CCO2 76042657 OWWKDEYEYPANDL-PXNSSMCTSA-N 341.455 2.839 10 40 EFCB COc1cccc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c1 12543259 DQPYBFRDMICXOT-UHFFFAOYSA-N 340.423 2.804 10 40 EFCB CN(Cc1ccc(N2CCOCC2)cc1)Cn1cnc2ccccc21 12534408 FXNKDLCXXPFOIJ-UHFFFAOYSA-N 336.439 2.962 10 40 EFCB Cc1cc(C(=O)CSc2nnnn2C)c(C)n1-c1ccccc1 3509883 VQSSTJDDQYSNBX-UHFFFAOYSA-N 327.413 2.593 10 40 EFCB Cc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)o1 13616189 YAQFLHYLHKCYKB-MDWZMJQESA-N 330.727 2.908 10 40 EFCB Cc1ccc(O[C@@H](C)C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cc1 96011705 LKJHPEXIXJUBAE-KGLIPLIRSA-N 329.396 2.921 10 40 EFCB Cc1cscc1C(=O)NCc1ccc(N2CCNCC2)c(F)c1 95427898 IZVYYNYZVBAXTF-UHFFFAOYSA-N 333.432 2.535 10 40 EFCB Cc1cccc(NC(=O)C[C@H]2SC(=O)N(c3ccccc3)C2=O)n1 36635235 DGISBBVFQWZEHG-CYBMUJFWSA-N 341.392 2.987 10 40 EFCB Cc1cn2nc(NCc3ccc(N4CCOCC4)c(F)c3)sc2n1 52457010 KZFXWFRNWSRAAX-UHFFFAOYSA-N 347.419 2.687 10 40 EFCB CN(Cc1ccccc1O)C(=O)c1ccc2c(O)[nH]c(=S)nc2c1 53916161 BBTOMWNBDYBEIY-UHFFFAOYSA-N 341.392 2.976 10 40 EFCB Cc1cc(N2CC=C(c3c[nH]c4ncccc34)CC2)n2ncnc2n1 23617619 NVLIRJWCTNFHLM-UHFFFAOYSA-N 331.383 2.603 10 40 EFCB COc1cc(/C=C2\CC(=O)N(C3CCCCC3)C2=O)cc(O)c1O 71279565 SYGFLWFXCYNBHB-KPKJPENVSA-N 331.368 2.581 10 40 EFCB Cc1ccsc1/C=C1\C(=O)NC(=O)N(c2ccc(F)cc2)C1=O 14011411 HWHGAFQQHAYIKE-XYOKQWHBSA-N 330.340 2.862 10 40 EFCB CC1=C(C(=O)OC2CCCC2)[C@H](c2ccc(N(C)C)cc2)NC(=O)N1 123725 YLIZPJZHMRQRGC-KRWDZBQOSA-N 343.427 2.866 10 40 EFCB CCOc1ccc(N2C(=O)/C(=C\c3ccco3)C(=O)NC2=S)cc1 4465111 RECXNVIDPLENGY-UVTDQMKNSA-N 342.376 2.510 10 40 EFCB CN1C(=O)/C(=C\c2ccc(O)c(Br)c2)SC1=S 4524135 QFHGXSFFGFZIMM-WEVVVXLNSA-N 330.228 2.986 10 40 EFCB Cc1ccc2[nH]c3c(=O)n(CCc4ccc(O)c(O)c4)cnc3c2c1 526288 GFQKSEFHXOKUSM-UHFFFAOYSA-N 335.363 2.840 10 40 EFCB biogenic O=C(c1ccco1)N1CCC(NCc2ccc3c(c2)CCO3)CC1 54174047 GHEBEWFEEPWQTN-UHFFFAOYSA-N 326.396 2.609 10 40 EFCB Cc1noc(C)c1[C@H](C)C(=O)NCc1ccc(N2CCOCC2)cc1 58426743 HNVGCRMEJWRUNM-ZDUSSCGKSA-N 343.427 2.548 10 40 EFCB CC1CCN(C(=O)C2CCN(Cc3ccc(O)c(O)c3)CC2)CC1 4700152 QUGQUJZLSQVQDP-UHFFFAOYSA-N 332.444 2.568 10 40 EFCB CC[C@@H](C(=O)O)N1C(=O)/C(=C\c2cccc(F)c2)SC1=S 6080707 IQJOXURVVVYNKG-VUBLIPMDSA-N 325.386 2.890 10 40 EFCB COc1ccc2c(c1)CCCN2CC(=O)NC(=O)Nc1ccccc1 22015449 YNFJQTCVYZWIHG-UHFFFAOYSA-N 339.395 2.796 10 40 EFCB C[C@@H]1Oc2ccccc2C=C1/C=C1\SC(N2CCOCC2)=NC1=O 16699749 IDLIMCCHAJSSPH-IEMQHYRPSA-N 342.420 2.696 10 40 EFCB CN(Cc1ccc(N(C)C)cc1)C(=O)Cc1ccc2c(c1)OCO2 95367774 ROQDVEXAEYMMMX-UHFFFAOYSA-N 326.396 2.682 10 40 EFCB C=CC(=O)NC1=NN(c2c(Cl)cc(Cl)cc2Cl)C(=O)C1 100019775 UVNWHWBXZBRRON-UHFFFAOYSA-N 332.574 2.999 10 40 EFCB CCOc1cc(/C=C2\C(=O)N(C(C)C)C(C)=C2C(=O)OC)ccc1O 107701876 RJLXONHHIKRTQA-ZROIWOOFSA-N 345.395 2.872 10 40 EFCB COc1cc(N2CCCC2)c(OC)cc1/C=C1/SC(=O)NC1=O 409103056 CZTAVNMWHQUGGB-RIYZIHGNSA-N 334.397 2.628 10 40 EFCB COc1cc(/C=C2/SC(=S)N(C)C2=O)cc(OC)c1OC 33339639 MSXFPIJOPOWPNA-YRNVUSSQSA-N 325.411 2.543 10 40 EFCB O=C1NC(=S)NC(=O)C1=Cc1ccc(-c2ccccc2Cl)o1 62807 IUFDRPRQHWIRNK-UHFFFAOYSA-N 332.768 2.514 10 40 EFCB CCOc1ccc(NC(=O)[C@@]23CC[C@](C)(C(=O)C2=O)C3(C)C)cc1 101220919 OLTVRKQQAWTPJH-RTBURBONSA-N 329.396 2.988 10 40 EFCB Cc1ccc(O[C@H](C)C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cc1 96011704 LKJHPEXIXJUBAE-UONOGXRCSA-N 329.396 2.921 10 40 EFCB CCN(C[C@H]1CCCO1)C(=O)/C=C/c1ccc(N2CCOCC2)cc1 71889012 BRTVQXZYYNYFMQ-QPGLYAHGSA-N 344.455 2.564 10 40 EFCB CN(C1=NC(=O)/C(=C\c2cccn2C)S1)c1ccccc1C(=O)O 5374466 VINUNYFXLJKVHK-GXDHUFHOSA-N 341.392 2.830 10 40 EFCB CC(=O)N[C@H](CC(=O)NCc1ccc(N(C)C)cc1)c1cccs1 10433399 ZRHFHXVXNHRULX-MRXNPFEDSA-N 345.468 2.698 10 40 EFCB c1cc(N2CCOCC2)ccc1Cc1ccc(N2CCOCC2)cc1 1583092 MHGVQSSAQCJMBQ-UHFFFAOYSA-N 338.451 2.951 10 40 EFCB CC(C)Oc1ccccc1/C=C1/SC(N2CCN(C)CC2)=NC1=O 23109633 INELQPZIFYFRER-FOWTUZBSSA-N 345.468 2.692 10 40 EFCB Cc1cccc(/N=c2\scc(-c3ccc(O)c(O)c3O)n2C)n1 101723487 KNCFWYNFIHGFRE-VLGSPTGOSA-N 329.381 2.806 10 40 EFCB CCOc1cc(C=C2C(=O)OC(c3ccccc3)OC2=O)ccc1O 378509 LLIJAGCYNHWIDA-UHFFFAOYSA-N 340.331 2.973 10 40 EFCB COC(=O)C1=C(C)N(Cc2cccnc2)C(=O)/C1=C\c1ccccc1 59435628 HJSUZJPNWPHHJG-BOPFTXTBSA-N 334.375 2.954 10 40 EFCB COc1ccc(-n2c(C)cc(/C=C3/NC(=O)N(C)C3=O)c2C)cc1 409187750 BBWJZLHQZNQFFJ-MHWRWJLKSA-N 325.368 2.625 10 40 EFCB COc1cc(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1O 33315198 GRRPOXCUAPPXSN-JYRVWZFOSA-N 344.754 2.516 10 40 EFCB CCCOc1ccccc1C=C1C(=O)N(CC)C(=S)N(CC)C1=O 408605784 YTVGINANZVZNOK-UHFFFAOYSA-N 346.452 2.854 10 40 EFCB O=C1NC(=S)NC(=O)C1=Cc1ccc(SC2CCCCC2)o1 5025761 FWPUSTLFWANHOT-UHFFFAOYSA-N 336.438 2.619 10 40 EFCB O=C(O)CSC1=N[C@@H](c2ccccc2O)C[C@H](C(F)(F)F)N1 12844506 LXCZXNINECDTTR-PSASIEDQSA-N 334.319 2.531 10 40 EFCB CC(=O)NC1=NC(=O)/C(=C/c2ccc(Br)cc2)S1 16138764 AXAFTXDPGOIXOL-POHAHGRESA-N 325.187 2.556 10 40 EFCB CCCN(Cc1ccccc1O)C(=O)[C@H](C)NC(=O)c1ccco1 69978012 BLFULQVRKJFYGR-ZDUSSCGKSA-N 330.384 2.542 10 40 EFCB CC[C@@](C)(O)CNC(=O)Nc1c(-c2ccccn2)nc2ccccn12 585119867 XYMALIOHXJIWSN-GOSISDBHSA-N 339.399 2.679 10 40 EFCB CC[C@H](C(=O)O)N1C(=O)/C(=C/c2cccc(F)c2)SC1=S 1295195 IQJOXURVVVYNKG-PAKSIRSJSA-N 325.386 2.890 10 40 EFCB COc1ccc2c(c1)CCN2Cc1cc(=O)n2c(C)csc2n1 58934360 DQPXPVRWXJUBJY-UHFFFAOYSA-N 327.409 2.636 10 40 EFCB CCCN(Cc1ccccc1O)C(=O)CN(C)C(=O)c1cccs1 69324107 QOBDCKGFRNUUOH-UHFFFAOYSA-N 346.452 2.965 10 40 EFCB Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NC[C@H]2COCCO2)c1 55846829 YATWYNVFKJVHOO-HNNXBMFYSA-N 348.830 2.893 10 40 EFCB O=C(NC[C@@H]1CCN(c2ccc(OC(F)(F)F)cc2)C1)N1CCC1 95955835 CSPPRLVTDKPKOK-LBPRGKRZSA-N 343.349 2.827 10 40 EFCB CCOC(=O)c1cccc(N/C=C2\SC(=S)N(CC)C2=O)c1 95929194 WJYOHSAKTCBYNF-XFXZXTDPSA-N 336.438 2.997 10 40 EFCB CC[C@@H](C)[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccn(C)c2)SC1=S 5373971 XDYATQZBIMHXJA-BWPPYHDQSA-N 338.454 2.726 10 40 EFCB COc1ccc(-c2cnc(SCC(=O)N3CCCC3)n2C)cc1 44085574 MTWSKMQQONMAFP-UHFFFAOYSA-N 331.441 2.810 10 40 EFCB Cc1ccc(-n2c(C)cc(/C=C/C(=O)NCC[S@@](C)=O)c2C)cc1 78764273 WVVFJKUSFFPWKQ-REXAPNPKSA-N 344.480 2.910 10 40 EFCB CCn1nc(C)c(CNCc2ccc(N3CCOCC3)c(F)c2)c1C 66995374 CXWNABIVQROOKP-UHFFFAOYSA-N 346.450 2.785 10 40 EFCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(N(C)C)cc3)C2=O)cc1 179649 UGHYDYJIWDHSBQ-SFQUDFHCSA-N 349.390 2.727 10 40 EFCB COc1ccc(/C=C2/C(=O)N(C(=O)c3ccccc3O)N=C2C)cc1 5842696 LZEFZWQMDTZXAX-LFIBNONCSA-N 336.347 2.843 10 40 EFCB CC1=NN(C(=O)c2ccccc2O)C(=O)/C1=C\c1ccc(N(C)C)cc1 5250332 SPMHGBGIKVHBHF-ATVHPVEESA-N 349.390 2.900 10 40 EFCB O=[N+]([O-])c1cc2c(cc1[C@@H]1NN=C(c3ccccc3O)S1)OCO2 339868 WWKUIOLSEYRISN-OAHLLOKOSA-N 345.336 2.726 10 40 EFCB O=C1Nc2ccc(S(=O)(=O)Nc3ccc(O)cc3)c3cccc1c23 828934 COAMZTOCLSYCBI-UHFFFAOYSA-N 340.360 2.912 10 40 EFCB CCOC(=O)c1c(NC(=O)CCC(=O)O)sc2c1C[C@H](C)CC2 4834674 MVPLWIMCQOVGGD-SECBINFHSA-N 339.413 2.853 10 40 EFCB CCCN1C(=O)/C(=C\Nc2ccccc2C(=O)OC)SC1=S 9422465 GNBXIMYEPMEXBS-FMIVXFBMSA-N 336.438 2.997 10 40 EFCB O=C(/C=C/c1ccco1)NCc1ccc(N2CCC(O)CC2)c(F)c1 76092271 DSBFHGQUZYSKCG-GQCTYLIASA-N 344.386 2.709 10 40 EFCB COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2ccc(C)c(F)c2)c1 71803507 JINXOOFGYHJUIU-NSHDSACASA-N 346.358 2.664 10 40 EFCB CC(=O)NC1=NN(c2ccccc2)C(=O)[C@H]1/N=N/c1ccccc1C 97963991 MKTSEGZSORLAHA-BZROSYFNSA-N 335.367 2.944 10 40 EFCB O=C1NN(c2ccc(Br)cc2)C(=O)/C1=C/c1ccccc1 2900525 GXEMIDVEZOUXMK-GXDHUFHOSA-N 343.180 2.911 10 40 EFCB CCCc1c(C(=O)NCc2ccc(O)cc2O)[nH]c(C)c1C(C)=O 585088228 PRCDXJAEDOMDGX-UHFFFAOYSA-N 330.384 2.819 10 40 EFCB O=C1NC(=S)N/C1=C/c1ccc(-c2cc(C(=O)O)ccc2Cl)o1 12428458 WXCGAGUTTYDFDJ-IZZDOVSWSA-N 348.767 2.643 10 40 EFCB COc1ccc(N2CCN(C(=O)[C@@H]3C[C@H]3c3ccco3)CC2)cc1 71834958 KVABGWBKXJQSIB-IAGOWNOFSA-N 326.396 2.741 10 40 EFCB CN1c2ccccc2C(=O)N[C@@H]1c1cc(O)cc(Br)c1O 77472044 ZDRFLVDEXALWLB-AWEZNQCLSA-N 349.184 2.739 10 40 EFCB CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/NCc1ccco1 100149116 KQXLCJJKLXAKJF-XNTDXEJSSA-N 326.312 2.584 10 40 EFCB O=C([C@@H]1C[C@H]2CC[C@H]1C2)N1CCN(c2ccc3c(c2)OCO3)CC1 247948128 RPDWWSVUIILMDE-OFQRWUPVSA-N 328.412 2.500 10 40 EFCB Cc1cc(/C=C2\SC(=S)N(CC(=O)O)C2=O)cc2c1O[C@@H](C)C2 12062568 ITFPQWMNTHISHM-TXEUWIOXSA-N 349.433 2.604 10 40 EFCB Cc1cc(C)nc(SC[C@H]2CN[C@@H](c3ccc(N(C)C)cc3)O2)n1 55212181 YKMGPLLJVCPUMA-IAGOWNOFSA-N 344.484 2.939 10 40 EFCB COc1ccc(OCCN(C)Cc2cc3c(cc2O)OCO3)cc1 8036425 LANMDXHRDJGWMW-UHFFFAOYSA-N 331.368 2.640 10 40 EFCB CC(C)c1cc(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)on1 70787375 MWCUBMOCXGHJSQ-UHFFFAOYSA-N 347.390 2.704 10 40 EFCB COc1ccc(N2CCC(NC(=O)NCC[C@H]3CCCO3)CC2)cc1 65539024 AUVIVJMGVIEGQR-GOSISDBHSA-N 347.459 2.532 10 40 EFCB CCCC12CN3CC(CCC)(CN(C1)C3c1ccc(O)cc1O)C2O 19320173 RETGGOHTMLTFBH-UHFFFAOYSA-N 346.471 2.675 10 40 EFCB biogenic C[C@@H]1CN(Cc2c(O)ccc3c4c(c(=O)oc23)CCCC4)C[C@@H](C)O1 19793188 MYHOLLPXOSCRSS-CHWSQXEVSA-N 343.423 2.987 10 40 EFCB O=c1cc(-c2ccccc2)c2ccc(O)c(CN3CCOCC3)c2o1 26920240 FCGWNQFUHAGGRG-UHFFFAOYSA-N 337.375 2.998 10 40 EFCB biogenic CC(C)(C)C(=O)NCCC(=O)NCc1ccc(N2CCCCC2)cc1 58289776 KUAAIFLNDHOKSX-UHFFFAOYSA-N 345.487 2.846 10 40 EFCB CN(Cc1ccc(N(C)C)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] 18150504 XFYAUTMIUDDVFM-UHFFFAOYSA-N 327.384 2.862 10 40 EFCB C[C@@H]1Cc2cc(/C=C3\SC(=S)N(CCC(=O)O)C3=O)ccc2O1 16810404 QRFKSPGPDDXUED-PGEKAQRJSA-N 349.433 2.686 10 40 EFCB COc1cc(N(C)Cc2ncc(Cl)n2C)cc(OC)c1OC 84303813 WILRUGBCESGORS-UHFFFAOYSA-N 325.796 2.736 10 40 EFCB COc1cc(/N=N\c2ccc(C)cc2S(N)(=O)=O)c(C)cc1N 17303054 VNPNPJCNLYTEET-HNENSFHCSA-N 334.401 2.957 10 40 EFCB CC1CCN(c2ccc([C@H](C)NC(=O)Cn3cccn3)cc2)CC1 36752329 FDGQSAJWVJFIPS-INIZCTEOSA-N 326.444 2.997 10 40 EFCB COC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1ccc2c(c1)OCO2 120637 BOSMTSXVDDBWDM-AUWJEWJLSA-N 343.379 2.744 10 40 EFCB O=C1NC(=S)N(c2ccc(F)cc2)C(=O)C1=Cc1cccs1 2049286320 KYGARRWPJBIUGI-UHFFFAOYSA-N 332.381 2.719 10 40 EFCB C[C@H]1CN(C2=NC(=O)/C(=C/c3ccc(N(C)C)cc3)S2)C[C@@H](C)O1 13774964 OETWZDSBKLQHGE-QYAPNPRASA-N 345.468 2.832 10 40 EFCB O=C(O)[C@@H]1Nc2c(I)cccc2[C@H]2C=CC[C@H]21 4409920 CNQHYGCDWZHJEN-JWKOBGCHSA-N 341.148 2.830 10 40 EFCB biogenic,in-vitro COc1cccc2c1OC[C@H](NC(=O)N(C)Cc1ccccc1O)C2 71796341 KNWOALICIVDJMP-OAHLLOKOSA-N 342.395 2.546 10 40 EFCB CC(C)C[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccco2)SC1=S 5284601 VMDVEVOKSMZOLJ-QBQSQJOESA-N 325.411 2.980 10 40 EFCB C[C@H]1Oc2ccccc2C=C1/C=C1\SC(N2CCOCC2)=NC1=O 16699751 IDLIMCCHAJSSPH-COOUDCDJSA-N 342.420 2.696 10 40 EFCB C[C@@H](NCc1ccncc1)c1ccc(N2CCN(C)CC2)c(F)c1 71825366 JMKKIXUGDPNMEF-OAHLLOKOSA-N 328.435 2.823 10 40 EFCB C[C@H]1CCCN(c2ccc(CNC(=O)[C@@H]3CCCN(C)C3)cc2)C1 216918658 PVFWEJSSCROCRW-FUHWJXTLSA-N 329.488 2.881 10 40 EFCB COC(=O)C1=C(C)N(C[C@@H]2CCCO2)C(=O)/C1=C\c1cccc(C)c1 14414459 PONNUJJIJGUMIF-FDIDWWNZSA-N 341.407 2.847 10 40 EFCB Cc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3F)C2=O)s1 12462524 KBIIPVNYIYXFOH-DHZHZOJOSA-N 330.340 2.862 10 40 EFCB CN1C(=O)/C(=C/c2cc3cccc4c3n(c2=O)CCC4)SC1=S 36625742 OAGCFFFMPAJPEB-LCYFTJDESA-N 342.445 2.779 10 40 EFCB COC(=O)[C@@H](c1ccccc1)N1CCN(c2ccc(OC)cc2)CC1 35310686 QORKXJBIYKBAQZ-LJQANCHMSA-N 340.423 2.732 10 40 EFCB Cc1ccc(-n2c(C)ccc2C)c(C(=O)N2CCC(C(N)=O)CC2)c1 65492089 ZNBRVGBGRRLROB-UHFFFAOYSA-N 339.439 2.740 10 40 EFCB CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)c1ccsc1 7105477 JGZOMQXLBWAJJQ-UHFFFAOYSA-N 332.425 2.630 10 40 EFCB CCN1C(=O)/C(=C\c2cccc(O[C@@H](C)C(=O)O)c2)SC1=S 16905253 ZGMDSJYPKGMZIJ-KWINOFQJSA-N 337.422 2.760 10 40 EFCB COc1ccc(N2CCC(NC(=O)/C=C/c3nccs3)CC2)cc1 69570192 VDTMPWOZTUEAGO-VOTSOKGWSA-N 343.452 2.950 10 40 EFCB CC[C@@H](C)n1cc(/C=C2\C(=O)NC(=S)N(C)C2=O)c2ccccc21 408912275 DVUOWXSTMJNOQP-ZECSTPGPSA-N 341.436 2.869 10 40 EFCB COC(=O)[C@H](CCSc1nccs1)NC(=O)OC(C)(C)C 1615610476 HSTDLJOXQLUQNA-VIFPVBQESA-N 332.447 2.692 10 40 EFCB NN(/N=N\c1ccccc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 104394878 OXAWHUJHOONMIB-PFONDFGASA-N 347.247 2.790 10 40 EFCB CCN1C(=O)/C(=C2\C(O)=Nc3ccc([N+](=O)[O-])cc32)SC1=S 5445348 PDSIKNQEIIPDOR-MDZDMXLPSA-N 335.366 2.788 10 40 EFCB O=C(O)[C@@H]1Nc2c(I)cccc2[C@@H]2C=CC[C@H]12 101638882 CNQHYGCDWZHJEN-QOSJWCAFSA-N 341.148 2.830 10 40 EFCB biogenic,in-vitro NC(=O)c1c(NS(=O)(=O)c2ccccc2)sc2c1CCCC2 486807 CUFORMQYNKUHGX-UHFFFAOYSA-N 336.438 2.527 10 40 EFCB O=C(O)c1ccc2c(c1)C(=O)c1c(c(O)c3ccccc3c1O)C2=O 4934733 UONGPEPIFCJNBM-UHFFFAOYSA-N 334.283 2.725 10 40 EFCB CC[C@@H]1SC(=S)N(CCc2ccc(OC)c(OC)c2)C1=O 3615834 QWHCKXMMUNILEB-ZDUSSCGKSA-N 325.455 2.885 10 40 EFCB CC1=NN(c2ccc(C(=O)O)cc2)C(=O)/C1=C\c1ccc(O)c(O)c1 20033341 DTXKOBNMNCGVCB-ZSOIEALJSA-N 338.319 2.602 10 40 EFCB COc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc(C)cc2)C1=O 179644 ACUIBPNDLZTPFL-RVDMUPIBSA-N 336.347 2.670 10 40 EFCB Cc1cccc2c1N[C@@H](c1ccc(N3CCOCC3)c(F)c1)NC2=O 66969617 WLDIJOXYRRICHC-GOSISDBHSA-N 341.386 2.825 10 40 EFCB Cc1cc(O)c(CN2CCN(C(=O)c3ccc(O)cc3)CC2)cc1C 91811051 CYFKYMJKIQVIHY-UHFFFAOYSA-N 340.423 2.673 10 40 EFCB CC[C@H](C(=O)O)N1C(=O)/C(=C/c2ccccc2F)SC1=S 4357044 DUHKKYYBJIYIQX-PAKSIRSJSA-N 325.386 2.890 10 40 EFCB CN(C)c1ccc([C@H](CNC(=O)Cc2ccc(F)cc2)N(C)C)cc1 5097709 MBCDZVTYTIPFGI-IBGZPJMESA-N 343.446 2.853 10 40 EFCB Cc1cc(C(=O)COC(=O)C2=COCCO2)c(C)n1-c1ccccc1 3509949 UBSPOQLPEYAMRI-UHFFFAOYSA-N 341.363 2.708 10 40 EFCB C[C@@H]1CN(C(=O)Cc2ccc(N)cc2)C[C@@H](c2ccc(F)cc2)O1 160506817 JIAOXMGHHZRYMF-ACJLOTCBSA-N 328.387 2.939 10 40 EFCB CCc1cc(=O)oc2c(CN[C@@H](CC(C)C)C(=O)O)c(O)ccc12 3863563 OFVNPLAULYDWCR-AWEZNQCLSA-N 333.384 2.650 10 40 EFCB biogenic Cc1cc(C2=NN(c3ccccc3)C(=O)/C2=C/c2ccncc2)n(C)n1 17071667 LIPZGHNSZSKHMD-GHRIWEEISA-N 343.390 2.958 10 40 EFCB CC1=NN(C(=O)Cc2ccccc2)C(=O)/C1=C/c1ccc([N+](=O)[O-])cc1 104299069 UUPIMSQGFPXGIU-GZTJUZNOSA-N 349.346 2.966 10 40 EFCB Cc1ccc(C(=O)NCc2ccc(N3CCCCC3)cc2)c(=O)[nH]1 75124660 KRWMRGULDNARII-UHFFFAOYSA-N 325.412 2.604 10 40 EFCB COc1ccc(/C=C2/SC(N3C[C@H](C)O[C@@H](C)C3)=NC2=O)cc1 26686972 GULVJNCDTBRYTP-ZHHBOZQESA-N 332.425 2.775 10 40 EFCB COc1cc(OC)c(OC)cc1/C=C1\SC(=S)N(C)C1=O 2339421 MATLZKSGCLSNJT-SDQBBNPISA-N 325.411 2.543 10 40 EFCB CCOC(=O)C1=C[C@@H](OC(CC)CC)[C@H](NC(C)=O)[C@@H](N=[N+]=[N-])C1 22012077 MPTCBJSPQVJIPZ-RRFJBIMHSA-N 338.408 2.637 10 40 EFCB in-vitro Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(O)cc3)C2=O)c(C)c1 408890749 YPLHALMOQPTZLX-XNTDXEJSSA-N 336.347 2.675 10 40 EFCB O=C1N=C(N2CCNCC2)S/C1=C\c1ccc(Cl)cc1Cl 56979761 GAJQRNQNXCITNC-GHXNOFRVSA-N 342.251 2.869 10 40 EFCB Cc1cc(NC(=O)C[C@@H]2SC(=O)N(c3ccccc3)C2=O)no1 36635248 VWJGDQDXEQRBSK-NSHDSACASA-N 331.353 2.580 10 40 EFCB CCN1CCN(/C=C2\SC(=S)N(c3ccccc3)C2=O)CC1 618255279 VGNRZDQIJBZHDE-OWBHPGMISA-N 333.482 2.530 10 40 EFCB NC(=O)[C@H]1CCCN(c2ccc(CNCc3cccc(F)c3)cc2)C1 54178970 IZMFPSYAYKLFDM-KRWDZBQOSA-N 341.430 2.817 10 40 EFCB CNC(=O)c1cc(N(C)C(=O)/C=C/c2cn(C)c3ccccc23)ccn1 78932569 DVHGGJZTOVBNQZ-CMDGGOBGSA-N 348.406 2.609 10 40 EFCB CN(CCNC(=S)Nc1ccc2c(c1)OCCO2)c1ccccc1 53582116 RMGIADQUMPIFQV-UHFFFAOYSA-N 343.452 2.881 10 40 EFCB O=C1NC(=S)S/C1=C\c1ccc(-c2ccc(C(=O)O)c(O)c2)o1 5816354 ZAMOUMGVPMKGIO-SDQBBNPISA-N 347.373 2.839 10 40 EFCB O=C1N=C(Nc2ccc(O)cc2)S/C1=C\c1ccc(O)c(O)c1 5590594 GWGOIGOLUMFSQF-ZSOIEALJSA-N 328.349 2.886 10 40 EFCB Oc1ccccc1CN1CCOC[C@H]1c1nc(-c2cccnc2)c[nH]1 72322046 BRUQRFAHHGZHDZ-KRWDZBQOSA-N 336.395 2.751 10 40 EFCB biogenic,in-vitro COc1ccccc1NC(=O)NCc1ccc(N2CCOCC2)cc1 53752682 BWUCYKSBZHTISA-UHFFFAOYSA-N 341.411 2.854 10 40 EFCB CCCc1noc(CCCC(=O)NCc2ccc(N(C)C)c(F)c2)n1 58401362 ICJDHOBCCKTHMG-UHFFFAOYSA-N 348.422 2.866 10 40 EFCB CCc1ccc(NC(=O)C(=O)N[C@H](C)c2cc(OC)ccc2O)cc1 71803506 SOMMMHBVTWJCSJ-GFCCVEGCSA-N 342.395 2.779 10 40 EFCB O=C(C[C@H]1SC(=S)NC1=O)Nc1cccc(Cl)c1Cl 34926786 SOWUHTJPUNGRDX-SSDOTTSWSA-N 335.237 2.839 10 40 EFCB O=C1N=C(O)N(c2ccccc2)C(=O)/C1=C\c1ccc([N+](=O)[O-])s1 9043933 YUSHBRYZJAWKNT-FLIBITNWSA-N 343.320 2.527 10 40 EFCB CC(C)C[C@H](C(=O)O)N1C(=O)/C(=C\c2ccco2)SC1=S 4745661 VMDVEVOKSMZOLJ-UEUZTHOGSA-N 325.411 2.980 10 40 EFCB CCc1cc(=O)oc2c(CN[C@@H](C(=O)O)[C@H](C)CC)c(O)ccc12 3863593 MTYHBWBJOZPTDY-QLJPJBMISA-N 333.384 2.650 10 40 EFCB biogenic CN(C)c1ccc(CN(CC(F)(F)F)C(=O)c2cnccn2)cc1 71799915 RDYBLTWIHQTGRU-UHFFFAOYSA-N 338.333 2.747 10 40 EFCB CCN1C(=O)/C(=C\c2cccc(O[C@H](C)C(=O)O)c2)SC1=S 16905255 ZGMDSJYPKGMZIJ-YXYQAXARSA-N 337.422 2.760 10 40 EFCB O=C(O)CCC(=O)N1N=C(c2ccco2)C[C@@H]1c1ccccc1O 95532077 KVEYKSGPUKGLHF-CYBMUJFWSA-N 328.324 2.528 10 40 EFCB CN(Cc1ccccc1O)C(=O)Nc1cnn(CC(F)(F)F)c1 77716480 JOPHSBQAHYENOH-UHFFFAOYSA-N 328.294 2.815 10 40 EFCB CCCN1C(=O)/C(=C/c2ccc(OCC(=O)O)cc2)SC1=S 409343515 DRNCOWFBPBSYCE-WQLSENKSSA-N 337.422 2.761 10 40 EFCB CCCC[C@H](C(=O)O)N1C(=O)/C(=C\c2cccn2C)SC1=S 5371652 ITIMMRBHCBVKJH-LWMMSDEHSA-N 338.454 2.870 10 40 EFCB COc1ccc(C)cc1NC(=O)[C@]12CC[C@@](C)(C(=O)C1=O)C2(C)C 100621836 JPUVUVPMFYUPLO-OALUTQOASA-N 329.396 2.907 10 40 EFCB Cc1nc(S)sc1CC(=O)NCc1ccc2c(c1)CCCN2C 57550213 WFEISRQHCVEAEN-UHFFFAOYSA-N 347.509 2.982 10 40 EFCB CC1(C)Cc2cc(/C=C3/SC(N4CCOCC4)=NC3=O)ccc2O1 96297282 LMOXMIICLVAORB-XNTDXEJSSA-N 344.436 2.703 10 40 EFCB COc1ccc(N2CCC(NS(=O)(=O)c3ccccc3)CC2)cc1 69486527 NINGEIUXXQKXCR-UHFFFAOYSA-N 346.452 2.643 10 40 EFCB COC(=O)C[C@@H]1SC(=S)N(Cc2ccc(Cl)cc2)C1=O 5663303 BGGPDXXPVGKWEU-JTQLQIEISA-N 329.830 2.632 10 40 EFCB COc1ccc(C(=O)NCc2ccc(N3CCCC3)cc2)c(O)c1 32914730 YTLYXOJBRLQHNE-UHFFFAOYSA-N 326.396 2.931 10 40 EFCB CN(Cc1ccc(N(C)C)cc1)C(=O)CN1CCc2ccccc2C1 36389601 RWJOLJRCYTZCRE-UHFFFAOYSA-N 337.467 2.769 10 40 EFCB CCCCCCOc1ccc(C=C2C(=O)NC(=S)NC2=O)cc1 2891521 WOIVPHIIOGAOFZ-UHFFFAOYSA-N 332.425 2.560 10 40 EFCB CCCc1cc(=O)oc2c(CN[C@H](C(=O)O)C(C)C)c(O)ccc12 3863587 UPVQCGYGOPISTK-INIZCTEOSA-N 333.384 2.650 10 40 EFCB biogenic COC(=O)CCN1C(=O)/C(=C\c2cccc(F)c2)SC1=S 80343727 PFSTUZXXHNLFSO-DHZHZOJOSA-N 325.386 2.590 10 40 EFCB CCc1nnc(N/C=C2\C(=O)N(c3ccc(F)cc3)N=C2C)s1 100087715 HLSUCRKRYYFKLK-WQLSENKSSA-N 331.376 2.958 10 40 EFCB COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2cc(F)ccc2C)c1 71803503 YXSDGUNLDUIVNQ-NSHDSACASA-N 346.358 2.664 10 40 EFCB CCn1c(/C=C2\C(=O)N(C)c3ccccc32)nc2ccccc2c1=O 19798273 SOBQACHTACGHKY-QINSGFPZSA-N 331.375 2.933 10 40 EFCB Cn1cccc1/C=C1/SC(Nc2ccc(C(=O)O)c(O)c2)=NC1=O 20227123 KFSMYTZDCASARK-MDWZMJQESA-N 343.364 2.511 10 40 EFCB CC[C@H]1CN(C(=O)C2CC2)CC[C@@H]1NCc1ccc2c(c1)CCO2 89948978 UJEHGOYVNYSYEJ-YJBOKZPZSA-N 328.456 2.748 10 40 EFCB COc1ccc([C@@H]2CC(c3ccccc3O)=NN2C=O)cc1OC 66091604 XDCJABUHKANNPE-HNNXBMFYSA-N 326.352 2.717 10 40 EFCB O=C(O)c1ccc(N2C(=O)N=C(O)/C(=C\c3cccs3)C2=O)cc1 27530838 DWEZABWXYPJTIW-XYOKQWHBSA-N 342.332 2.953 10 40 EFCB CC[C@](C)(O)CNC(=O)Nc1c(-c2ccccn2)nc2ccccn12 585119868 XYMALIOHXJIWSN-SFHVURJKSA-N 339.399 2.679 10 40 EFCB COc1ccc(N2CCCN(C(=O)CCc3ccccn3)CC2)cc1 65623602 UAWKHYOAMRZQRK-UHFFFAOYSA-N 339.439 2.762 10 40 EFCB CC1=NN(C(N)=S)C(=O)[C@H]1/N=N/c1cc(Cl)ccc1Cl 100525221 OKQBWLBBYQONMR-FZQCLQRZSA-N 330.200 2.907 10 40 EFCB COc1ccc(N(C)CCNC(=S)Nc2ccc(OC)nc2)cc1 225799564 LHAHUWXNMUMHNU-UHFFFAOYSA-N 346.456 2.522 10 40 EFCB C[C@@H](C(=O)NCc1ccc(N(C)C)cc1)n1c(=O)oc2ccccc21 12534873 KDHWDKCEIXDERL-ZDUSSCGKSA-N 339.395 2.538 10 40 EFCB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccc(F)cc1 10906818 QICNBBQYWLMJRZ-UHFFFAOYSA-N 328.387 2.935 10 40 EFCB COC(=O)c1[nH]c2ccccc2c1/C=C1/SC(=S)N(C)C1=O 13686997 XSOUCQVKZRHJNW-YRNVUSSQSA-N 332.406 2.786 10 40 EFCB O=C(CSc1nc2ncc(Cl)cc2[nH]1)c1ccc(O)c(O)c1 5626212 COOVSQXYDHWJKI-UHFFFAOYSA-N 335.772 2.998 10 40 EFCB Cc1cccc(C(=O)NN2C(=O)/C(=C/c3ccc[nH]3)SC2=S)c1 5552784 JOOJDOLHHRTQQK-LCYFTJDESA-N 343.433 2.869 10 40 EFCB Oc1ccc(N2C[C@](O)(c3ccccc3)[N+]3=C2SCCC3)cc1 27525341 ONAAGRGGJGHIHU-SFHVURJKSA-O 327.429 2.563 10 40 EFCB C[C@H]1CN(C(=O)CSc2ncc(-c3ccccc3)n2C)C[C@@H](C)O1 14094755 CVBOTJISSPPLPA-OKILXGFUSA-N 345.468 2.815 10 40 EFCB Nc1c(C(=O)O)c(Br)cc2c1C(=O)c1ccccc1C2=O 4522755 VCZZKUGKLVKJKE-UHFFFAOYSA-N 346.136 2.505 10 40 EFCB COC(=O)c1ccc(C(=O)N(C)Cc2ccc(N(C)C)cc2)s1 28495182 VFVWHVSYUUPYHV-UHFFFAOYSA-N 332.425 2.873 10 40 EFCB O=C(O)CN1C(=O)S/C(=C\c2ccc(N3CCCCC3)cc2)C1=O 408959684 DDQWGAVNPRRYEZ-UVTDQMKNSA-N 346.408 2.798 10 40 EFCB Cc1cc(Br)c(O)c(CN(C)[C@@H](C)C[S@](C)=O)c1 95940825 SVCYASXJMBMBJR-XTZNXHDOSA-N 334.279 2.662 10 40 EFCB COc1ccc(N2CCN(C(=O)c3cccc(N)c3C)CC2)cc1 256052454 NKDHBVUXWDMSLQ-UHFFFAOYSA-N 325.412 2.548 10 40 EFCB Cc1ccc(S(=O)(=O)C[C@H](C)NCc2cc(F)ccc2O)cc1 154855678 VUYDEPJXSPDYHJ-ZDUSSCGKSA-N 337.416 2.792 10 40 EFCB CCc1cc(=O)oc2c(CNC[C@@H]3CCCO3)c(O)c(Cl)cc12 20588713 UDKPTXFUWXHKSJ-NSHDSACASA-N 337.803 2.983 10 40 EFCB O=C1NC(=S)S/C1=C\c1cccn1-c1ccc(C(=O)O)cc1 4711859 UICCXLYUYHWBCE-WQLSENKSSA-N 330.390 2.664 10 40 EFCB CCCN(Cc1ccccc1O)C(=O)CNC(=O)c1ccc(C)s1 69324956 UNCSSGDTKUFGIT-UHFFFAOYSA-N 346.452 2.931 10 40 EFCB Nc1ccc(/N=[N+](\[O-])c2ccc([N+](=O)[O-])c([N+](=O)[O-])c2)cc1[N+](=O)[O-] 104243651 FYAFMXHXXYYAIY-PFONDFGASA-N 348.231 2.919 10 40 EFCB Cc1cnn([C@H](C)[C@@H](C)NCc2ccc(N3CCOCC3)c(F)c2)c1 69459643 IIONPCPZRZFWPS-HZPDHXFCSA-N 346.450 2.907 10 40 EFCB Cc1cc(C)cc(Cc2ccc(C=C3C(=O)NC(=O)NC3=O)cc2)c1 408871296 XOOVVECXXCHEHX-UHFFFAOYSA-N 334.375 2.644 10 40 EFCB Cc1ccc(N2NC(=O)/C(=C\c3cccc([N+](=O)[O-])c3)C2=O)cc1C 61777 AVPVMDAXUOLASA-MHWRWJLKSA-N 337.335 2.673 10 40 EFCB Cc1ccc(-c2nc(-c3ccc(S(C)(=O)=O)cc3)no2)c(O)c1O 97102698 KPRHTBZHTIVYFX-UHFFFAOYSA-N 346.364 2.527 10 40 EFCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccccc1Br 35107277 GTVSWCWCTVXPQK-RAXLEYEMSA-N 343.180 2.911 10 40 EFCB COc1cc2c(cc1O)[C@H]1Cc3ccc(OC)c(O)c3CN1CC2 28465423 KNWVMRVOBAFFMH-OAHLLOKOSA-N 327.380 2.771 10 40 EFCB biogenic,in-vitro O=C(CN1C(=O)/C(=C\c2cccs2)SC1=S)N1CCCC1 4745362 LMQQKYLMAKNVQS-DHZHZOJOSA-N 338.479 2.572 10 40 EFCB Cc1cc(C(=O)O[C@H](C)C(=O)NC2CC2)c(C)n1-c1ccccc1 7813602 HEZFEHLOBLJIMW-CQSZACIVSA-N 326.396 2.918 10 40 EFCB Cc1cc(C)cc(N2C(=O)/C(=C/c3ccncc3)C(=O)NC2=S)c1 408820938 AQSGIKSXAKQXPK-XNTDXEJSSA-N 337.404 2.530 10 40 EFCB COc1ccc(/N=N\[C@H]2C(=O)N(C(=O)c3ccncc3)N=C2C)cc1 104204139 USMQMOHXACCYKA-MVZUJROASA-N 337.339 2.601 10 40 EFCB CC(=O)N1c2cc(CN3CCOCC3)c(O)cc2C(C)=CC1(C)C 1740816542 JXPGDBZGOVJZKY-UHFFFAOYSA-N 330.428 2.773 10 40 EFCB O=C1NC(=S)S/C1=C\c1cc2c(cc1Br)OCO2 14128624 HOPSUABXDVMTGR-MBXJOHMKSA-N 344.211 2.667 10 40 EFCB CN(C)c1ccc(CNC(=O)C2CCN(c3nccs3)CC2)cc1 8780453 XGBKPKQJCFQMPO-UHFFFAOYSA-N 344.484 2.742 10 40 EFCB C=C1SC(=S)N(C(=O)c2ccccc2Br)C1=O 408719004 FFKOTZPEVFBHRJ-UHFFFAOYSA-N 328.212 2.963 10 40 EFCB C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)C=[N+]=[N-] 307719058 MGOXETIYWQKLEA-GFCCVEGCSA-N 335.363 2.783 10 40 EFCB CCN(CC)C(=O)[C@H](C)OC(=O)c1sc2nc(C)cc(C)c2c1N 28776185 UPLBYHRRIYMVKM-NSHDSACASA-N 349.456 2.909 10 40 EFCB COc1cc(/C=C2/C(=O)NN(c3cccc(Cl)c3)C2=O)ccc1O 32109820 JYRNUSZDFUPATQ-QPEQYQDCSA-N 344.754 2.516 10 40 EFCB COc1ccc(/C(C)=C2\SC(=S)N(CCC(=O)O)C2=O)cc1 1155750 CJSSQWGGVIFRNX-LCYFTJDESA-N 337.422 2.761 10 40 EFCB CCS(=O)(=O)CCCN1CCCc2cc(OC(F)F)ccc21 95401441 RERJAOFVVAVLIM-UHFFFAOYSA-N 333.400 2.865 10 40 EFCB Cc1cc(/C=C2/NC(=S)NC2=O)c(C)n1-c1ccc2ncccc2c1 408964016 BEKFKUAFRCJWCA-LICLKQGHSA-N 348.431 2.988 10 40 EFCB CCOc1ccncc1S(=O)(=O)Nc1cccc(N2CCCC2)c1 585140443 DUYWBVUVLWAIRI-UHFFFAOYSA-N 347.440 2.881 10 40 EFCB Cc1ccc(-c2cnc(SCC(=O)N3CCCC3=O)n2C)cc1 6588991 YNESJYPAUPSBQH-UHFFFAOYSA-N 329.425 2.637 10 40 EFCB O=C1OC2(CCCC2)OC(=O)C1=Cc1ccc(Br)o1 58866127 BJDULBJVUXZOTA-UHFFFAOYSA-N 327.130 2.796 10 40 EFCB O=C1NN(c2ccccc2)C(=O)/C1=C/c1ccc(Br)cc1 50951 BZBMQDOQRLXSGF-GXDHUFHOSA-N 343.180 2.911 10 40 EFCB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)/C=C/c1ccco1 16134404 HGGLXPIYRHIJRB-CMDGGOBGSA-N 326.396 2.788 10 40 EFCB Cc1cc(Br)cc(/C=C2/SC(=S)NC2=O)c1O 6188914 DSKIWYORANOMHV-XBXARRHUSA-N 330.228 2.952 10 40 EFCB CN(C)c1ccc([C@H](CNC(=O)NCc2ccccc2)N(C)C)cc1 22418294 FSNSAXINAVVTIC-IBGZPJMESA-N 340.471 2.855 10 40 EFCB COC(=O)/C(=C/c1ccc(N2CCOCC2)c(F)c1)c1ccncc1 71795723 JARGOYMQTHMMHM-FOWTUZBSSA-N 342.370 2.771 10 40 EFCB Cc1nnc2n1CCN(C(=O)c1cc(C)n(-c3ccccc3)c1C)C2 69488749 SJENJTDTBVPIHO-UHFFFAOYSA-N 335.411 2.650 10 40 EFCB COc1ccc(N2CCN(C(=O)c3ncccc3Cl)CC2)cc1 72243400 DYYDJSKKNCZAIS-UHFFFAOYSA-N 331.803 2.706 10 40 EFCB Cn1c2ccccc2c2ncn(CCc3ccc(O)c(O)c3)c(=O)c21 2138695 DWIZFBXSXXSPNI-UHFFFAOYSA-N 335.363 2.542 10 40 EFCB biogenic CCC(=O)Oc1ccc(N2C(=O)c3ccc(C(=O)O)cc3C2=O)cc1 406826 CQSGAHGRMAUFAJ-UHFFFAOYSA-N 339.303 2.501 10 40 EFCB Cc1cc(C(=O)CSc2n[nH]c(N)n2)c(C)n1-c1cccc(F)c1 4504463 VAHOOXLGTRAPHC-UHFFFAOYSA-N 345.403 2.909 10 40 EFCB COc1ccc(N2CCN(C(=O)NCCc3ccccc3)CC2)cc1 9322892 IJLGSPUNUGTPPJ-UHFFFAOYSA-N 339.439 2.770 10 40 EFCB Cn1c(-c2ccc(O)c(O)c2O)cs/c1=N\c1cccc(O)c1 101713443 WODMFHUDUVTPCG-MSUUIHNZSA-N 330.365 2.808 10 40 EFCB CC(C)C[C@@H](NCc1c(O)ccc2c3c(c(=O)oc12)CCC3)C(=O)O 101181 FKCINNAUPBOGSI-OAHLLOKOSA-N 345.395 2.576 10 40 EFCB biogenic O=c1oc2c(CNC[C@H]3CCCO3)c(O)ccc2c2ccccc12 6754674 DUNQDLRAVOBBHU-GFCCVEGCSA-N 325.364 2.920 10 40 EFCB Cc1cc(NC(=O)C[C@H]2SC(=O)N(c3ccccc3)C2=O)no1 36635247 VWJGDQDXEQRBSK-LLVKDONJSA-N 331.353 2.580 10 40 EFCB Cn1cccc1/C=C1\SC(=S)N(NC(=O)C2CCCCC2)C1=O 6147563 GIBRXQJMQQBLST-RAXLEYEMSA-N 349.481 2.838 10 40 EFCB CNC(=S)NC[C@@H]1CCN(c2ccc(OC(F)(F)F)cc2)C1 83882397 XGKUIHWOTFXHOH-JTQLQIEISA-N 333.379 2.505 10 40 EFCB O=C1N=C(S)N(c2ccccc2)C(=O)/C1=C\c1nc2ccccc2[nH]1 6813920 FSKGEMQDZQKGKR-BENRWUELSA-N 348.387 2.806 10 40 EFCB COc1ccccc1[C@@H](c1cc2c(cc1O)OCO2)N1CCOCC1 31772453 CSQQCASHAULUEU-IBGZPJMESA-N 343.379 2.551 10 40 EFCB C[C@@H]1CCCN(c2ccc(CNC(=O)[C@@H]3CCCN(C)C3)cc2)C1 216918633 PVFWEJSSCROCRW-SJLPKXTDSA-N 329.488 2.881 10 40 EFCB Cc1cc(N2CCOCC2)ccc1CN1C[C@H]2CCCN2C[C@@H]1C 72324554 AZCWKAKLOGJEEH-FXAWDEMLSA-N 329.488 2.500 10 40 EFCB COc1ccc(N2CCN(C(=O)COc3ccc(C)cc3)CC2)cc1 4687716 ANUGWUKEOIBAGK-UHFFFAOYSA-N 340.423 2.731 10 40 EFCB O=C(O)c1ccc(N2C(=O)/C(=C/c3ccc[nH]3)SC2=S)cc1O 5374580 CKFAQVVCAOFCFQ-SDQBBNPISA-N 346.389 2.824 10 40 EFCB C[C@H]1CN(Cc2c(O)ccc3c4c(c(=O)oc23)CCCC4)C[C@@H](C)O1 16810125 MYHOLLPXOSCRSS-BETUJISGSA-N 343.423 2.987 10 40 EFCB O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccccc1O 408886363 KHKJDLNEBXLYNZ-MDWZMJQESA-N 342.738 2.712 10 40 EFCB O=C(O)CCNC1CCN(c2ccc(OC(F)(F)F)cc2)CC1 69434510 QJPBJLFBNSNEIT-UHFFFAOYSA-N 332.322 2.618 10 40 EFCB CC(C)[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(C=O)cc2)SC1=S 5375016 WAZZWDXMJRHEQU-OTAKNEKHSA-N 349.433 2.810 10 40 EFCB CCOC(=O)c1sc(C)c2c1N[C@H](c1ccccc1O)NC2=O 544495 KRMDPPXADWBTGY-AWEZNQCLSA-N 332.381 2.793 10 40 EFCB Cc1ccc(N2C(=O)N=C(O)/C(=C\NN3CCCCC3)C2=O)cc1C 1828326 SACDEIIESXEMIM-RVDMUPIBSA-N 342.399 2.601 10 40 EFCB CCSc1cc(C(=O)NCc2cc([N+](=O)[O-])ccc2O)ccn1 53756723 QIVLCKZYYQTRRI-UHFFFAOYSA-N 333.369 2.737 10 40 EFCB COc1ccc(CNCc2ccc(N3CCOCC3)cc2)c(OC)c1 48776715 ITRJKRUCSFJGQL-UHFFFAOYSA-N 342.439 2.830 10 40 EFCB CCOC(=O)CCCN1C(=O)/C(=C\c2ccco2)SC1=S 9444410 DLDUDHCTSHWRMI-PKNBQFBNSA-N 325.411 2.824 10 40 EFCB Cc1noc(C)c1S(=O)(=O)NCc1ccc(N2CCCCC2)cc1 49740509 ONGTZEWIOJZHBD-UHFFFAOYSA-N 349.456 2.760 10 40 EFCB Cc1cc(C)n2nc(N)c(/N=N/c3ccc(S(=O)(=O)O)cc3)c2n1 6189305 VUWMQPTZIVCSFF-ISLYRVAYSA-N 346.372 2.590 10 40 EFCB Cc1cc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)nn1C 9122152 FIIBTVBUZREHSF-UHFFFAOYSA-N 345.358 2.756 10 40 EFCB O=C1N=C(O)/C(=C/c2ccco2)C(=O)N1c1ccc([N+](=O)[O-])cc1 6926619 WMBQPAVLDXHRBM-WQLSENKSSA-N 327.252 2.695 10 40 EFCB O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cccc(O)c1 14011205 YGTUQFWHSVGJON-NTEUORMPSA-N 342.738 2.712 10 40 EFCB Cc1ccccc1-n1c(C)cc(C(=O)OCC(=O)NC2CC2)c1C 16694969 LEZSQHCMJKFPIJ-UHFFFAOYSA-N 326.396 2.838 10 40 EFCB COc1ccc(N2CCN(C[C@H](O)c3cccc(OC)c3)CC2)cc1 62005030 VBXXCVCJIUCYRU-FQEVSTJZSA-N 342.439 2.559 10 40 EFCB CCOc1cc(/C=C2\C(=O)NN(c3ccc(C)cc3)C2=O)ccc1O 208444 QCMJWLLFYFWNSD-XNTDXEJSSA-N 338.363 2.561 10 40 EFCB COCCN1C(=O)[C@H](Cc2ccc(SC)cc2)SC1=S 8104645 RVTLJRPXAWZBFS-LBPRGKRZSA-N 327.496 2.826 10 40 EFCB COC(=O)NC(=O)CN(Cc1ccccc1)c1ccc(OC)cc1 57623071 RJCHVMOSMNAXAF-UHFFFAOYSA-N 328.368 2.584 10 40 EFCB C[C@H]1Oc2ccccc2C=C1/C=C1\SC(=S)N(CC(=O)O)C1=O 5346843 RODGZGJMGAPWNS-VAENJDROSA-N 347.417 2.680 10 40 EFCB O=C1NC(=S)N(c2ccccc2Cl)C(=O)/C1=C/c1ccoc1 409239740 DTNOFDUYGHKXND-JXMROGBWSA-N 332.768 2.764 10 40 EFCB Cc1cc(/C=C2/C(=O)NC(=O)N(C)C2=O)c(C)n1C1CCCCC1 257946 FFNJEHIGASESHJ-GDNBJRDFSA-N 329.400 2.702 10 40 EFCB CCN1C(=O)/C(=C/c2cc(OC)c(OC)c(OC)c2)SC1=S 1196558 LEEYAJUFUGAUQO-WQLSENKSSA-N 339.438 2.934 10 40 EFCB CC[C@H](C(=O)O)N1C(=O)/C(=C/c2nc3ccccc3[nH]2)SC1=S 2241924 XYEZQKRNHXYQLM-PAKSIRSJSA-N 347.421 2.627 10 40 EFCB O=C(Cc1c(F)cccc1Cl)NCc1cc([N+](=O)[O-])ccc1O 34878928 CHKPSIGBAFMNJC-UHFFFAOYSA-N 338.722 2.952 10 40 EFCB Cc1ccc(/C=C2/SC(=S)N(NC(=O)c3cccnc3)C2=O)o1 3270717 PFWJVWYJEMPVMX-KPKJPENVSA-N 345.405 2.529 10 40 EFCB C[C@H]1CN(C(=O)CSc2ncc(-c3ccccc3)n2C)C[C@H](C)O1 5263760 CVBOTJISSPPLPA-KBPBESRZSA-N 345.468 2.815 10 40 EFCB C[C@H](NC(=O)c1ccc(O)c(O)c1)c1cnn(Cc2ccccc2)c1 97235688 BMKJAHCSZAQHKP-ZDUSSCGKSA-N 337.379 2.834 10 40 EFCB CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1ccc(OC)cc1 12527083 OBHRVJOMIXPZLF-UHFFFAOYSA-N 348.468 2.972 10 40 EFCB COc1ccc(OC)c(C(=O)C(=O)c2cc(OC)ccc2OC)c1 1634054 PJBGTPFHHHKNCG-UHFFFAOYSA-N 330.336 2.787 10 40 EFCB O=c1cc(-c2cc3ccc(O)cc3oc2=O)c2ccc(O)c(O)c2o1 2131332 GVSITYBAGZWOBM-UHFFFAOYSA-N 338.271 2.683 10 40 EFCB biogenic CN(C)c1ccc([C@@H]2NC[C@H](COc3ccc([N+](=O)[O-])cc3)O2)cc1 34803466 WRASVXYMXMWGQJ-QZTJIDSGSA-N 343.383 2.727 10 40 EFCB COc1ccc(N2CCN(C(=O)c3cccnc3SC)CC2)cc1 2629203 GJSYOXXSVXZZMC-UHFFFAOYSA-N 343.452 2.775 10 40 EFCB CN1CCN([C@@H](c2cccnc2)c2ccc3cccnc3c2O)CC1 20507279 HSRHOKLBADNCMO-IBGZPJMESA-N 334.423 2.672 10 40 EFCB CN(C)S(=O)(=O)c1ccc(OCCSc2nccs2)cc1 52914172 FWEGSKFKTCIUAU-UHFFFAOYSA-N 344.483 2.565 10 40 EFCB COC(=O)[C@H](c1ccccc1)N1CCN(c2ccc(OC)cc2)CC1 35310685 QORKXJBIYKBAQZ-IBGZPJMESA-N 340.423 2.732 10 40 EFCB CCN1C(=O)/C(=C/c2cc(C)n(-c3cccnc3)c2C)NC1=S 211013263 ADRZBLGJQIWMCT-DHDCSXOGSA-N 326.425 2.567 10 40 EFCB COc1cn(-c2ccccc2)nc1C(=O)N(C)Cc1ccccc1O 42117172 LHMXVHHTCJEECP-UHFFFAOYSA-N 337.379 2.859 10 40 EFCB C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)NCc1ccc(N(C)C)cc1 14310845 HIFPRYALZKVNPT-UGSOOPFHSA-N 326.396 2.597 10 40 EFCB CCc1ncc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)s1 71830927 WVFYRYGSYDJUHL-UHFFFAOYSA-N 331.441 2.677 10 40 EFCB CN(Cc1ccc(N2CCCCC2)cc1)CC(C)(C)S(C)(=O)=O 95430342 DGGCHPBPOFOEDO-UHFFFAOYSA-N 338.517 2.932 10 40 EFCB Cc1cc(/C=C2/NC(=O)NC2=O)c(C)n1-c1ccc2ncccc2c1 408965024 FRZBWMSLVQFNEH-LICLKQGHSA-N 332.363 2.823 10 40 EFCB Nc1ccc(CN(Cc2ccccc2)[C@@H]2C=CS(=O)(=O)C2)cc1 575420400 HKRXLVXVOCORKH-GOSISDBHSA-N 328.437 2.582 10 40 EFCB CN(C)c1ccc(/C=C2\C(=O)NC(=O)N(C3CCCCC3)C2=O)cc1 33389220 ISPSSQXYSNXBET-FOWTUZBSSA-N 341.411 2.547 10 40 EFCB COc1ccc(N(C)CCNC(=S)Nc2ncccc2C)cc1 225799368 JXKJHGIVMWWINX-UHFFFAOYSA-N 330.457 2.821 10 40 EFCB CCOc1cc(C=C2C(=O)OC3(CCCC3)OC2=O)ccc1OC 5906409 URWKQYRRUJLJKX-UHFFFAOYSA-N 332.352 2.848 10 40 EFCB O=C1C(=O)[C@@](Br)(c2ccccc2)C(=O)[C@@H]1c1ccccc1 1722471 IBGCUUFUSPBCOE-CXAGYDPISA-N 343.176 2.782 10 40 EFCB O=[N+]([O-])c1cnn(Cc2nc(-c3ccc(-n4cccc4)cc3)no2)c1 1426788 URSQNINKRMQIAE-UHFFFAOYSA-N 336.311 2.680 10 40 EFCB O=C(c1ccccc1)c1ccccc1NCN1C(=O)CSC1=O 4082507 NXUFTJAQWHQUMN-UHFFFAOYSA-N 326.377 2.982 10 40 EFCB COc1cc(-c2cc(-c3cc(O)c(O)cc3O)nn2C)ccc1O 257231872 GIMMAIABZSDFJY-UHFFFAOYSA-N 328.324 2.585 10 40 EFCB CCOC(=O)C1CCN(C2=NC(=O)/C(=C/c3ccccc3)S2)CC1 457520 HKOCPPPZXJOJBL-QINSGFPZSA-N 344.436 2.932 10 40 EFCB Cc1cccc(N2C(=O)/C(=C/c3ccoc3)C(=O)NC2=S)c1C 409136730 UVNHLDKDLPWSES-MDWZMJQESA-N 326.377 2.728 10 40 EFCB CCCN(Cc1ccccc1O)C(=O)c1csc(NC(C)=O)n1 72280578 RVOYMIRMIRSZBE-UHFFFAOYSA-N 333.413 2.860 10 40 EFCB Cc1cccc(C(=O)NC2(N3CCCC3)C(=O)c3ccccc3C2=O)c1 226297429 QHJFTQOXVHXKNW-UHFFFAOYSA-N 348.402 2.596 10 40 EFCB C[C@H](O)CN(Cc1cc(OCc2ccccc2)ccc1O)C[C@@H](C)O 1724243 YKZYOZQXPNGPPM-IYBDPMFKSA-N 345.439 2.535 10 40 EFCB O=C(NN1C(=O)/C(=C/c2cccs2)SC1=S)c1ccncc1 1449336 MSDKZEQZFTXKHY-FLIBITNWSA-N 347.446 2.689 10 40 EFCB Cc1cc(C(=O)OCC(=O)NC(C)C)c(C)n1-c1ccc(F)cc1 3349655 HHFDPTSFCDCVQZ-UHFFFAOYSA-N 332.375 2.915 10 40 EFCB CN1/C(=C/c2cc[n+](CCC[N+](C)(C)C)cc2)Oc2ccccc21 34645974 VXLBFMWXLNAYSZ-UHFFFAOYSA-N 325.456 2.898 10 40 EFCB CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccccc1-n1cccn1 195579144 QAMIXNABSQUMNH-UHFFFAOYSA-N 348.406 2.978 10 40 EFCB Cn1ccc(/C=C2/SC(=S)N(CCCCCC(=O)O)C2=O)c1 5373933 AGLOTSOJSPKJMS-FMIVXFBMSA-N 338.454 2.871 10 40 EFCB Nc1cc(C(=O)c2ccccc2)c(N)c2c1C(=O)c1ccccc1C2=O 3903156 DBRWLQUGUQVOCR-UHFFFAOYSA-N 342.354 2.857 10 40 EFCB Cc1cc(C)nc(SC[C@H]2CN[C@H](c3ccc(N(C)C)cc3)O2)n1 55212179 YKMGPLLJVCPUMA-SJORKVTESA-N 344.484 2.939 10 40 EFCB O=C(Cc1c[nH]c2ccccc12)NCc1ccc(N2CCOCC2)cc1 49740529 OQTFCAUKVQWKNM-UHFFFAOYSA-N 349.434 2.863 10 40 EFCB CN1CCc2ncnc(N3CC=C(c4c[nH]c5ncccc45)CC3)c2C1 65476902 QERRRKALXUWODS-UHFFFAOYSA-N 346.438 2.635 10 40 EFCB Cc1ccc(Cl)cc1N1C(=O)NC(=O)/C(=C\c2ccco2)C1=O 409211487 JMCUBZPEFFABOK-XYOKQWHBSA-N 330.727 2.908 10 40 EFCB CCCN(Cc1ccccc1O)C(=O)[C@H]1Cc2ccccc2C(=O)O1 58218848 ODRYCROAPLSDSR-GOSISDBHSA-N 339.391 2.913 10 40 EFCB O[C@@]1(c2ccccc2)CN2CCCSC2=[N+]1Cc1ccccc1 4176390 OWXFRFYSAVFLDY-LJQANCHMSA-N 325.457 2.853 10 40 EFCB S=C(NCc1ccco1)N1CCc2cc3c(cc2C1)OCCCO3 5349119 WLDSYWKQBTXYDZ-UHFFFAOYSA-N 344.436 2.874 10 40 EFCB CCOC(=O)N1CCN(Cc2c(O)ccc3ccc(OC)cc23)CC1 23381743 MYSQAPGENMPUFM-UHFFFAOYSA-N 344.411 2.828 10 40 EFCB Cc1ncc(CNC(=O)NCCCSc2nccs2)s1 89730117 QLVDOSRRZMGEQU-UHFFFAOYSA-N 328.488 2.890 10 40 EFCB Cc1nc(CSCC(=O)NCc2ccc(N3CCCC3)cc2)no1 52807200 KMNVQNFRZRPDDW-UHFFFAOYSA-N 346.456 2.528 10 40 EFCB Cc1cccc(-n2c(C)cc(C(=O)N3CCOC[C@@H]3CCO)c2C)c1 95451148 FQHDFNKIKRFAQH-SFHVURJKSA-N 342.439 2.626 10 40 EFCB CCN1C(=O)/C(=C/c2cn(C(C)C)c3ccccc23)C(=O)NC1=S 409393480 XRRRKXBLLRVLQW-NTEUORMPSA-N 341.436 2.869 10 40 EFCB CCOc1ccc(/C=C2\SC(=S)N([C@@H](C)C(=O)O)C2=O)cc1 967072 KSYBSJPJUZHNIN-RILYUOAZSA-N 337.422 2.760 10 40 EFCB CCc1cc(=O)oc2c(CN[C@H](C(=O)O)[C@H](C)CC)c(O)ccc12 11866845 MTYHBWBJOZPTDY-HWPZZCPQSA-N 333.384 2.650 10 40 EFCB biogenic CCCOC(=O)CCN1C(=O)/C(=C\c2ccco2)SC1=S 5124173 HCFFNSTVMNJHMA-PKNBQFBNSA-N 325.411 2.824 10 40 EFCB Nc1nc(Cl)cc(NCc2ccc(N3CCSCC3)cc2)n1 44976725 VXIYJKSZKGASRM-UHFFFAOYSA-N 335.864 2.878 10 40 EFCB COc1nc(C)ccc1CNCc1ccc(N2CCOCC2)c(F)c1 66992144 MZIZNGPJJVPUBE-UHFFFAOYSA-N 345.418 2.664 10 40 EFCB CCOc1ccc(/C=C2\C(=O)NC(=O)N(CC)C2=O)c2ccccc12 555365 VTMAELMPZSGFJH-RVDMUPIBSA-N 338.363 2.720 10 40 EFCB COc1cc(/C=C2/C(=N)N3C(C)=CSC3=NC2=O)cc(OC)c1O 102446436 IQYOCGMXJHSJHR-SSTMENMXSA-N 345.380 2.576 10 40 EFCB C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ncccc1C(F)(F)F 97098167 CFWJAHDHIFSEOF-SECBINFHSA-N 340.301 2.873 10 40 EFCB COc1ccc(N2C(=O)/C(=C/c3ccc[nH]3)C(O)=NC2=S)cc1 1306292 DSBVDIGYTRLFHF-UKTHLTGXSA-N 327.365 2.695 10 40 EFCB COc1ccc(OC)c(CNCc2ccc(N3CCOCC3)cc2)c1 43630191 HOULTABFHNDBGN-UHFFFAOYSA-N 342.439 2.830 10 40 EFCB COC(=O)C1=CN(c2ccc(F)cc2)c2ccccc2S1(=O)=O 64979155 CYDRIHPMEYUJCB-UHFFFAOYSA-N 333.340 2.766 10 40 EFCB COC(=O)c1c(NC(=O)CCC(=O)O)sc2c1CCCCCC2 5719944 IUBBUNIICOSHAQ-UHFFFAOYSA-N 339.413 2.997 10 40 EFCB CCCCNS(=O)(=O)c1cccc2c1C(=O)c1ccccc1C2=O 12042494 NWTPQOJDZGSITJ-UHFFFAOYSA-N 343.404 2.540 10 40 EFCB CC(C)C[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccco2)SC1=S 4745660 VMDVEVOKSMZOLJ-VUBLIPMDSA-N 325.411 2.980 10 40 EFCB COc1ccc(S(=O)(=O)N(C)Cc2ccc(N(C)C)cc2)cc1C 30324041 PYDXKWNLFOEUQB-UHFFFAOYSA-N 348.468 2.890 10 40 EFCB C[C@@H]1CN(CN2C(=O)/C(=C/c3ccco3)SC2=S)C[C@@H](C)O1 28632628 FMCGIARIWDEUSB-AZMCLKLJSA-N 338.454 2.548 10 40 EFCB COC(=O)C1=C(C)N(C[C@H]2CCCO2)C(=O)/C1=C\c1cccc(F)c1 563642 SCKZBFBCQZPCOI-CCAPLTMGSA-N 345.370 2.677 10 40 EFCB Cc1cc(C)nc(SCC(=O)NCc2ccc(N(C)C)c(C)c2)n1 69949441 UCWHIOQTUQYPGI-UHFFFAOYSA-N 344.484 2.876 10 40 EFCB COC(=O)[C@H](C)N1C(=O)/C(=C/c2cccc(F)c2)SC1=S 1276925 UTJIYQDFMHJHFN-CLUBXZQOSA-N 325.386 2.588 10 40 EFCB CC(=O)[C@H](/N=N/c1ccccc1)C(=O)CS(=O)(=O)c1ccccc1 104375141 BQVGYMJSUMKDRJ-SISFKGJESA-N 344.392 2.771 10 40 EFCB S=C(NNc1nnc2c(n1)[nH]c1ccccc12)Nc1ccccc1 32594529 DDYDMIGMODLXKZ-UHFFFAOYSA-N 335.396 2.820 10 40 EFCB CCOC(=O)c1cc(NS(=O)(=O)c2ccc(C)cc2)ccc1O 365604 MBFZUXZRGOLPNQ-UHFFFAOYSA-N 335.381 2.678 10 40 EFCB COc1ccc(Cl)cc1C(=O)NCc1cc([N+](=O)[O-])ccc1O 36329879 OIAHHWRINUEIOO-UHFFFAOYSA-N 336.731 2.892 10 40 EFCB Cc1ncsc1C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 40534033 LWBQCLVJUVZNEW-UHFFFAOYSA-N 331.441 2.560 10 40 EFCB Cc1c([C@H](C)NC(=O)NCc2ccc(N3CCCC3)cc2)cnn1C 41405153 JMAACRMBNQZQJA-AWEZNQCLSA-N 341.459 2.889 10 40 EFCB CN1C(=O)C(=Cc2ccc(SCc3ccco3)o2)C(=O)N(C)C1=O 5025757 FCKWOHFADJVYTO-UHFFFAOYSA-N 346.364 2.599 10 40 EFCB CC1=NN(c2ccccc2)C(=O)/C1=C\Nc1ccc(C(=O)O)c(O)c1 16160742 LZELVILJPFMCAW-GDNBJRDFSA-N 337.335 2.809 10 40 EFCB CC[C@@H](C(=O)O)N1C(=O)/C(=C\c2cccc(OC)c2)SC1=S 8325780 JTCNRHMRKKQZJY-SERMCNLOSA-N 337.422 2.760 10 40 EFCB C[C@H](NC(=O)CSc1ncc(-c2ccccc2)n1C)[C@H]1CCCO1 65542137 IBVJLDONDMDGRY-XJKSGUPXSA-N 345.468 2.863 10 40 EFCB Cc1ccc(NC(=S)NCc2ccc(N3CCOCC3)cc2)nc1 225422232 QFVRBZJIBWZMIY-UHFFFAOYSA-N 342.468 2.713 10 40 EFCB NC(=O)[C@H]1CCCN(c2ccc(CNc3cccc(F)n3)cc2)C1 57139702 ZWGJVBWUFZTINK-AWEZNQCLSA-N 328.391 2.535 10 40 EFCB CN(C)/N=N/c1ccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)O)cc1 1581997 RRZYNIPFPRIUHP-BZROSYFNSA-N 340.383 2.673 10 40 EFCB COC(=O)CN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S 1237721 CFZLAYOKMLRKKT-POHAHGRESA-N 327.814 2.714 10 40 EFCB O=C(O)CCCN1C(=O)/C(=C\c2ccccc2F)SC1=S 4425613 MWZHPCUQVDLZEM-DHZHZOJOSA-N 325.386 2.892 10 40 EFCB CNC(=O)CSc1ncc(-c2ccccc2)n1CC(F)(F)F 51971432 PSRWYOHEXROQQR-UHFFFAOYSA-N 329.347 2.951 10 40 EFCB O=C1OC2(CCCCC2)OC(=O)C1=C/C=C/c1ccc([N+](=O)[O-])o1 1868642 HUQCLXMQHLVRSI-SNAWJCMRSA-N 333.296 2.888 10 40 EFCB C[C@H](NCc1cccnc1)c1ccc(N2CCN(C)CC2)c(F)c1 65462481 UVARSAUGSSCAGT-HNNXBMFYSA-N 328.435 2.823 10 40 EFCB CC(=O)N1[C@@H](C(=O)N2CCC(C)CC2)CS[C@@H]1c1ccccc1O 4699305 SNTNITHXJPJVBP-CRAIPNDOSA-N 348.468 2.613 10 40 EFCB O=C(Cc1cccs1)NCc1ccc(N2CCC(CO)CC2)cc1 72288796 JIHXMQFCQLOAOQ-UHFFFAOYSA-N 344.480 2.816 10 40 EFCB COC(=O)C1=C(C)N(C(C)C)C(=O)/C1=C\c1ccc(OC)c(OC)c1 33778201 TVQSWWQKUORUPP-ZROIWOOFSA-N 345.395 2.785 10 40 EFCB COc1ccc(N2CCN(C(=O)c3ccccc3C(C)=O)CC2)cc1 9340696 KECJHFAAUZHURM-UHFFFAOYSA-N 338.407 2.860 10 40 EFCB O=C(CCc1ccc(O)cc1)C[C@H](O)CCc1ccc(O)c(O)c1 31159224 OAGXTVOZBKKJKA-QGZVFWFLSA-N 330.380 2.689 10 40 EFCB biogenic,in-vitro CCn1cccc1/C=C1\C(=O)NC(=S)N(c2cccc(C)c2)C1=O 408943003 XSMMETFAGMIYSB-RVDMUPIBSA-N 339.420 2.648 10 40 EFCB CCCCCC(=O)N1CCN(c2ccc(OC)cc2[N+](=O)[O-])CC1 33632364 VEHFCDFFPDAAMK-UHFFFAOYSA-N 335.404 2.832 10 40 EFCB Cc1ccc(N2NC(=O)/C(=C\c3ccc(N(C)C)cc3)C2=O)cc1C 437399 OGSWWCPTCJCHSJ-LDADJPATSA-N 335.407 2.831 10 40 EFCB CCN(CC)c1ccc(CNC(=O)[C@@H]2COc3ccccc3O2)cc1 79390753 RQAYJQXQIONNNC-IBGZPJMESA-N 340.423 2.989 10 40 EFCB CN(C)CCCNC(=S)N(C)Cc1ccc(N2CCCCC2)cc1 7404447 VCGQVUAUONNFMO-UHFFFAOYSA-N 348.560 2.935 10 40 EFCB O=C1N=C(N2CCCCC2)S/C1=C/c1cnc(N2CCCC2)nc1 48310582 MWGGRNFWOVMROS-GXDHUFHOSA-N 343.456 2.533 10 40 EFCB Oc1cc2c(cc1[C@@H](c1ccc(F)cc1)N1CCOCC1)OCO2 31771979 UEKWHYLQFCQSFJ-GOSISDBHSA-N 331.343 2.682 10 40 EFCB O=C1N=C(O)/C(=C\NN2CCCCC2)C(=O)N1c1cccc(Cl)c1 33929778 CXQDCUNPSCFYGG-JLHYYAGUSA-N 348.790 2.638 10 40 EFCB COC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(O)c(C)c2)cc1 268510 CVCBWWLHDMNCCL-UHFFFAOYSA-N 336.369 2.680 10 40 EFCB COC(=O)C(=Cc1ccc(N2Cc3ccccc3C2)cc1)C(=O)OC 408734215 FKKAVFPUONHFES-UHFFFAOYSA-N 337.375 2.936 10 40 EFCB CCCN1CC[C@H](CNC2CCN(c3ccc4c(c3)OCO4)CC2)C1 67786972 MOIITGCCUYUMMM-MRXNPFEDSA-N 345.487 2.706 10 40 EFCB O=C(O)CN1C(=O)/C(=C/c2ccccc2OC(F)F)SC1=S 3340610 OUUAEXXGAVDRJV-UITAMQMPSA-N 345.348 2.574 10 40 EFCB CCOc1cccc(CNC[C@@H]2CCN(CC(F)(F)F)C2)c1O 58179143 WCZHPQCDBQPCGI-LBPRGKRZSA-N 332.366 2.765 10 40 EFCB CN1CCc2cc([C@H](CNC(=O)C3CC3)N3CCCCC3)ccc21 13007717 IEENEIKCSSLIGM-IBGZPJMESA-N 327.472 2.732 10 40 EFCB C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)N(C)Cc1ccccc1O 53915178 ZGZJQVSCSUOMFK-AWEZNQCLSA-N 336.391 2.866 10 40 EFCB COc1ccc(Br)c(/C=C2\SC(=S)NC2=O)c1 17111691 UFVOKTKHGRXOOS-UITAMQMPSA-N 330.228 2.947 10 40 EFCB COc1cccc(NC(=O)NCc2ccc(N3CCOCC3)cc2)c1 53752725 DNYGTPGKLUFZLK-UHFFFAOYSA-N 341.411 2.854 10 40 EFCB CC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccccc2OC)SC1=S 2237005 OUGYQLWAOAEYQU-UVIKPUKZSA-N 337.422 2.760 10 40 EFCB COc1ccc2[nH]cc(C3=CCN(c4nccn5cnnc45)CC3)c2c1 97002264 HYNCXZRNIZJWDR-UHFFFAOYSA-N 346.394 2.908 10 40 EFCB CN(C)/C=C\c1c2c(nc3ccccc13)C(=O)c1cccnc1C2=O 31870763 QMIOVDKIZOSESD-LUAWRHEFSA-N 329.359 2.938 10 40 EFCB COc1cc(Br)cc(/C=C2\SC(=S)NC2=O)c1O 13476305 GLNVONXFIWBAJM-BAQGIRSFSA-N 346.227 2.652 10 40 EFCB Cc1ccc(S(=O)(=O)C[C@@H](C)NCc2cc(F)ccc2O)cc1 154855563 VUYDEPJXSPDYHJ-CYBMUJFWSA-N 337.416 2.792 10 40 EFCB CN(C)c1ccc([C@@H]2N[C@@H](C(=O)O)Cc3c2[nH]c2ccccc32)cc1 3999648 PSBAHRQDIWLSSI-MSOLQXFVSA-N 335.407 2.922 10 40 EFCB biogenic O=C(O)C1=C[C@H](c2ccccc2O)n2nc(-c3ccccc3)nc2N1 102335822 CGSIDVFVAIWHBZ-CQSZACIVSA-N 334.335 2.634 10 40 EFCB CCOc1ccc(/C=C2\SC(NC(C)=O)=NC2=O)c(OCC)c1 33621858 HJSPCTGJLDLRCV-ZSOIEALJSA-N 334.397 2.590 10 40 EFCB Cc1ccsc1/C=C1/C(=O)NC(=O)N(c2ccc(F)cc2)C1=O 105107 HWHGAFQQHAYIKE-WQLSENKSSA-N 330.340 2.862 10 40 EFCB Cc1ccc(C(=O)Nc2ccc(O)c(CN3CCOCC3)c2)cc1F 71916749 CURYGFYGMRQZKS-UHFFFAOYSA-N 344.386 2.924 10 40 EFCB Cc1cc(N2CCOCC2)ccc1CN1C[C@H]2CCCN2C[C@H]1C 19570595 AZCWKAKLOGJEEH-YLJYHZDGSA-N 329.488 2.500 10 40 EFCB CN(Cc1ccc(N(C)C)cc1)Cn1nc(-c2cccs2)oc1=O 40019890 FJAQIUAFMNQUBQ-UHFFFAOYSA-N 344.440 2.720 10 40 EFCB Cc1cccc(CN2CCN(Cc3cc4c(cc3O)OCO4)CC2)c1 22815658 DJMFEXKAGFGSOW-UHFFFAOYSA-N 340.423 2.747 10 40 EFCB Cc1nnc(NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)s1 47938871 DUJABHVXGRMAID-ZDUSSCGKSA-N 348.428 2.765 10 40 EFCB CN1C(=O)/C(=C/c2ccc(-c3cccc(Cl)c3)o2)C(=O)NC1=S 4724061 WTJVYPDRTUEWQK-XYOKQWHBSA-N 346.795 2.857 10 40 EFCB CC[C@H](C)[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccco2)SC1=S 5373812 RZROLVPZECBAGU-ZLNXOTNDSA-N 325.411 2.980 10 40 EFCB COc1ccc(C2=NN(C=O)[C@@H](c3ccccc3O)C2)cc1OC 226758828 ZMSYTMHDXYBYHU-OAHLLOKOSA-N 326.352 2.717 10 40 EFCB O=C(Nc1ccc(Cl)c(Cl)c1)NN1C(=O)CSC1=S 984006 MZCPLVJVEXRYAF-UHFFFAOYSA-N 336.225 2.890 10 40 EFCB CC(C)c1ccc(N/C=C2/C(=O)NC(=S)N(C3CC3)C2=O)cc1 17723615 DURNLZQBPSHZND-ZROIWOOFSA-N 329.425 2.512 10 40 EFCB Cc1c(Cl)cccc1-c1ccc(C=C2C(=O)NC(=O)NC2=O)o1 408976873 UNDIAWPMPSMCRE-UHFFFAOYSA-N 330.727 2.658 10 40 EFCB Cc1oc2c(c1C(=O)NCc1ccco1)C(=O)c1ccccc1C2=O 16739831 TZSSWIOHVZFYBX-UHFFFAOYSA-N 335.315 2.886 10 40 EFCB CCCN1C(=O)S/C(=C\c2ccc(N3CCOCC3)cc2)C1=O 409107825 RBMCNQNNXUZJSM-QINSGFPZSA-N 332.425 2.970 10 40 EFCB CCOC(=O)[C@H]1Cc2ccccc2CN1Cc1cccc(OC)c1O 199415871 BJGDQIQTJAWENI-QGZVFWFLSA-N 341.407 2.891 10 40 EFCB CCOc1ccccc1N1C(=O)N=C(O)/C(=C/c2cccn2C)C1=O 8971479 AZCFJFTVJVXBGB-QBFSEMIESA-N 339.351 2.931 10 40 EFCB O[C@]1(c2ccc(F)cc2)CN(c2ccccc2)C2=[N+]1CCCS2 16944858 NZDYXPPETDNQIS-SFHVURJKSA-N 329.420 2.996 10 40 EFCB CCCc1[nH]nc(C(=O)NCc2ccc(N(C)C)c(C)c2)c1[N+](=O)[O-] 95398397 XIWANPNKLHJNTH-UHFFFAOYSA-N 345.403 2.575 10 40 EFCB O=C(O)CN1C(=O)/C(=C\c2ccc(N3CCCC3)cc2)SC1=S 143547782 IEXBNGPRLUBIBP-UKTHLTGXSA-N 348.449 2.573 10 40 EFCB O=C(NN1C(=O)/C(=C\c2ccncc2)SC1=S)c1cccs1 409352236 WUXSYXRSKNCOAS-DHZHZOJOSA-N 347.446 2.689 10 40 EFCB CC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(C=O)cc2)SC1=S 5375006 QJNTWMPFCCALDZ-ZWIPKHHJSA-N 335.406 2.564 10 40 EFCB CCN(Cc1ccc(N(C)C)cc1)C(=O)CN1CCCCCC1=O 55294077 RMBVFKCFNSFVNZ-UHFFFAOYSA-N 331.460 2.504 10 40 EFCB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(N(CC)CC)cc1 8974250 IVYQPPOPPMLMIT-INIZCTEOSA-N 347.484 2.889 10 40 EFCB Cc1cc(C(=O)CSc2n[nH]c(N)n2)c(C)n1-c1ccccc1 6477155 ZVORXNZIEPMLHF-UHFFFAOYSA-N 327.413 2.769 10 40 EFCB CCN1C(=O)S/C(=C\c2ccc(N3CCOCC3)cc2OC)C1=O 409242886 PNDYVDNZHKADHH-GDNBJRDFSA-N 348.424 2.588 10 40 EFCB O=C(COc1ccccc1)NCc1ccc(N2CCSCC2)cc1 54035663 CAGKUXIJUQBKEV-UHFFFAOYSA-N 342.464 2.935 10 40 EFCB CN(Cc1ccc(N2CCOCC2)cc1)Cc1nc(C(C)(C)C)no1 69413676 BOZWTAATZWKSNZ-UHFFFAOYSA-N 344.459 2.836 10 40 EFCB O=C(c1cccs1)N1CCN(Cc2cc3c(cc2O)CCC3)CC1 25666398 DZSSNBKPMXSOKY-UHFFFAOYSA-N 342.464 2.900 10 40 EFCB COC(=O)C(C)(C)NC(=O)c1cc(C)n(-c2ccccc2F)c1C 42055072 XBTGIPJPTJNXON-UHFFFAOYSA-N 332.375 2.915 10 40 EFCB CCOC(=O)c1c(NC(=O)CCC(=O)O)sc2c1C[C@@H](C)CC2 4834673 MVPLWIMCQOVGGD-VIFPVBQESA-N 339.413 2.853 10 40 EFCB CCN1C(=O)/C(=C/c2cn(CC(=O)O)c3ccccc23)SC1=S 199432368 JJMFLRSVZXPYHH-QPEQYQDCSA-N 346.433 2.947 10 40 EFCB CCCCN/C(C)=C1\C(=O)N(c2ccc(F)cc2)N=C1CC(=O)OC 17072250 YQZZUDYKZUIFSO-ATVHPVEESA-N 347.390 2.755 10 40 EFCB CC[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc(C=O)cc2)SC1=S 5375007 QJNTWMPFCCALDZ-HBZGRHIISA-N 335.406 2.564 10 40 EFCB CCN1C(=O)[C@@H](Cc2cc(OC)c(OC)cc2C)SC1=S 6952982 IMWDRMZOXKKCPX-CYBMUJFWSA-N 325.455 2.804 10 40 EFCB CCN(CC)c1ccc(CNC(=O)NCc2ccnc(C)n2)cc1F 66927038 XPAWJIFPGSQNHC-UHFFFAOYSA-N 345.422 2.770 10 40 EFCB CCOc1ccc(NC(=O)[C@]23CC[C@](C)(C(=O)C2=O)C3(C)C)cc1 6701817 OLTVRKQQAWTPJH-MOPGFXCFSA-N 329.396 2.988 10 40 EFCB O=Cc1ccc(/C=C2/C(=O)NN(c3ccc(Cl)cc3)C2=O)cc1 4180429 MXVDJPGYMFNDAS-DHDCSXOGSA-N 326.739 2.614 10 40 EFCB CCc1ccc(N2C(=O)NC(=O)/C(=C\c3cccn3CC)C2=O)cc1 408932668 DJOYGKAALUDUOW-FOWTUZBSSA-N 337.379 2.737 10 40 EFCB CCc1ccccc1N1C(=O)NC(=O)/C(=C\Nc2ccccc2)C1=O 408528731 ICSVVVMMUAMECK-NTCAYCPXSA-N 335.363 2.828 10 40 EFCB O=C(Cc1ccccc1[N+](=O)[O-])NCCCSc1nccs1 74136124 FJJRFVIIVUVXAI-UHFFFAOYSA-N 337.426 2.892 10 40 EFCB O=C(Cc1ccccc1F)NCc1ccc(N2CCOCC2)cc1 54285107 ZUSKQUTUBKBYAL-UHFFFAOYSA-N 328.387 2.521 10 40 EFCB CCCOC(=O)CN1C(=O)/C(=C/c2cccc(O)c2)SC1=S 1809388 VRUWAAMLJMXNPD-WQLSENKSSA-N 337.422 2.547 10 40 EFCB CC[C@@H](C)[C@@H](NCc1c(O)ccc2c(C)c(C)c(=O)oc12)C(=O)O 35686311 JYHKKWAJHJKKMO-RFAUZJTJSA-N 333.384 2.704 10 40 EFCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3O)C2=O)c(C)c1 408887936 VBLUDULJMMKBPY-GXDHUFHOSA-N 336.347 2.675 10 40 EFCB O=C(NN1C(=O)/C(=C/c2ccco2)SC1=S)c1ccc(O)cc1 5214161 ZCKKDIBIXXYBEJ-WQLSENKSSA-N 346.389 2.531 10 40 EFCB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Cc1ccc(F)cc1 40466633 CHPOMBWXLJDCDV-UHFFFAOYSA-N 342.414 2.863 10 40 EFCB C[C@H]1CN(C2=NC(=O)/C(=C\c3ccc(N(C)C)cc3)S2)C[C@H](C)O1 13282616 OETWZDSBKLQHGE-CSBKXELUSA-N 345.468 2.832 10 40 EFCB CCn1cccc1/C=C1\C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O 408965943 XVRVFXQFJIELNB-GXDHUFHOSA-N 343.770 2.828 10 40 EFCB O=C(O)CCC(=O)N1N=C(c2ccco2)C[C@H]1c1ccccc1O 95532076 KVEYKSGPUKGLHF-ZDUSSCGKSA-N 328.324 2.528 10 40 EFCB Cn1cc(/C=C2/SC(=S)N(CCc3ccccc3)C2=O)cn1 2787149 YDDIKTFXZUHITC-NTEUORMPSA-N 329.450 2.864 10 40 EFCB CN1C(=O)/C(=C\c2ccc(C(=O)N3CCCC3)cc2)SC1=S 4942298 MWZCDVBLSOUSSJ-JLHYYAGUSA-N 332.450 2.754 10 40 EFCB CC(C)C[C@@H](C(=O)O)N1C(=O)/C(=C\c2cccnc2)SC1=S 27530415 RPNMZAXGOJRFQL-WBOGTDJTSA-N 336.438 2.782 10 40 EFCB Cc1cc(Cl)c(O)c(C(=O)C(=O)[C@H](O)c2ccc3c(c2)OCO3)c1 104311964 AKFNKYUUKDVBCU-CQSZACIVSA-N 348.738 2.568 10 40 EFCB C[C@@H](NC(=O)CSc1ncc(-c2ccccc2)n1C)[C@H]1CCCO1 65542140 IBVJLDONDMDGRY-CZUORRHYSA-N 345.468 2.863 10 40 EFCB CCc1nnc2n1CCN(C(=O)c1cc(C)n(-c3ccccc3)c1C)C2 69616571 DSJYREJQGDMTCC-UHFFFAOYSA-N 349.438 2.904 10 40 EFCB Cc1cc(CNC(=O)c2cnn(-c3ccccn3)c2C)ccc1N(C)C 69702287 DZNVONUKNSNYBF-UHFFFAOYSA-N 349.438 2.880 10 40 EFCB O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C/C=C/Nc1ccccc1 8644042 OSRYKNIPVQQFFR-GLKBESIRSA-N 349.415 2.987 10 40 EFCB Cc1cc(O)c(CN2CCC[C@H](C(=O)Nc3nncs3)C2)cc1C 58416010 GMJFXXJYLWKHAW-ZDUSSCGKSA-N 346.456 2.711 10 40 EFCB COC(=O)c1occc1CN(C)Cc1ccc(N2CCOCC2)cc1 69421276 KVYJELZNHIOJRM-UHFFFAOYSA-N 344.411 2.535 10 40 EFCB CCOC(=O)COc1ccc2c(c1)oc(=O)c1cc(OC)ccc12 4747368 AHJWYSVBLSXCIV-UHFFFAOYSA-N 328.320 2.897 10 40 EFCB CCc1cc(=O)oc2c(CN[C@H](CC(C)C)C(=O)O)c(O)ccc12 4028744 OFVNPLAULYDWCR-CQSZACIVSA-N 333.384 2.650 10 40 EFCB biogenic CCCCCCN/C=C1/C(=O)NC(=O)N(c2ccc(C)c(C)c2)C1=O 5845371 ORJZHSXXUNXIPN-VBKFSLOCSA-N 343.427 2.940 10 40 EFCB O=S(=O)(c1cccc2nsnc12)N1CCCc2ccccc21 157265 MBLOCIGCNZJPNQ-UHFFFAOYSA-N 331.422 2.833 10 40 EFCB COC(=O)c1cc(/C=C/C(=O)NCc2ccc(N(C)C)cc2)oc1C 24714718 SXOIOSVMJBYEJP-MDZDMXLPSA-N 342.395 2.770 10 40 EFCB CCCc1noc([C@H](C)N2CCN(c3ccc(OC)cc3)CC2)n1 44584130 MQTLXHONAMDDRP-AWEZNQCLSA-N 330.432 2.914 10 40 EFCB N=C1/C(=C\c2ccc(O)cc2)C(=O)N=C2SC(C(F)(F)F)=NN12 32109460 YSYOUYKOGRQXMB-OYVPBVRLSA-N 340.286 2.574 10 40 EFCB O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@H]1CCCO1 245281191 ACQOCPCMWOYUQQ-IUODEOHRSA-N 340.370 2.552 10 40 EFCB O=C(O)CSC1=N[C@H](c2ccccc2O)C[C@H](C(F)(F)F)N1 12844501 LXCZXNINECDTTR-WCBMZHEXSA-N 334.319 2.531 10 40 EFCB CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/NCCCOC(C)C 100429814 ZKGYXBRZLNHDSZ-LFIBNONCSA-N 346.387 2.606 10 40 EFCB O=C(NC1CCN(c2ccc(OC(F)(F)F)cc2)CC1)N1CCC1 66360718 DHAMNAFNGFAQOK-UHFFFAOYSA-N 343.349 2.969 10 40 EFCB CN(C)c1ccc(CN(C)S(=O)(=O)Cc2ccc(F)cc2)cc1 25369226 BYOPNOFQESGDMX-UHFFFAOYSA-N 336.432 2.854 10 40 EFCB Cc1ccccc1-c1csc(NS(=O)(=O)c2cn(C)cn2)n1 66252992 BJAVZLSKIQQESW-UHFFFAOYSA-N 334.426 2.653 10 40 EFCB COc1cc(/C(C)=C2\SC(=S)NC2=O)cc(OC)c1OC 5132084 VUCTYMMRFTUOOG-GHXNOFRVSA-N 325.411 2.591 10 40 EFCB O=C1N=C(O)/C(=C/NCc2cccnc2)C(=O)N1C1CCCCCC1 103119682 XQMKLBLSIYVMEB-QINSGFPZSA-N 342.399 2.697 10 40 EFCB Cn1c(=O)cc2c3c(c(NCCCO)ccc31)C(=O)c1ccccc1-2 66091792 PWYWLCMHYGNVNI-UHFFFAOYSA-N 334.375 2.544 10 40 EFCB CCC[C@@H](NCc1c(O)ccc2c1oc(=O)c1ccccc12)C(=O)O 16810556 XFZQKDYRBICSHS-OAHLLOKOSA-N 341.363 2.995 10 40 EFCB C[C@@H](c1ccncc1)N(C)Cc1cc(=O)oc2cc(O)c(O)cc12 97135223 VCWOOPXJLOOHLT-NSHDSACASA-N 326.352 2.792 10 40 EFCB CCOC(=O)[C@@H]1Cc2ccccc2CN1Cc1cccc(OC)c1O 199415857 BJGDQIQTJAWENI-KRWDZBQOSA-N 341.407 2.891 10 40 EFCB CN(C)c1ccc(CN(CC(F)(F)F)C(=O)[C@H]2CCCO2)cc1 71799920 ILLKYRSQPUHCMN-CQSZACIVSA-N 330.350 2.823 10 40 EFCB O[C@H](CNCc1ccc(N2CCOCC2)cc1)c1ccc(F)cc1F 71819559 UHYNEEFPYDLJMC-LJQANCHMSA-N 348.393 2.625 10 40 EFCB Cc1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)o1 502553 WDONBDOGYNMDAI-UKTHLTGXSA-N 326.377 2.728 10 40 EFCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1cccc(Br)c1 4482076 QXPLONXNECTSQK-UVTDQMKNSA-N 343.180 2.911 10 40 EFCB O=C1N=C(O)/C(=C\NN2CCCCC2)C(=O)N1c1ccc(Cl)cc1 9329827 ZBZGRCRXOZNVQE-JLHYYAGUSA-N 348.790 2.638 10 40 EFCB O=C(NCc1ccc(N2CCSCC2)cc1)c1cccnc1S 54035799 ZXTGNFWCYRUIEA-UHFFFAOYSA-N 345.493 2.854 10 40 EFCB Cc1c(CC(=O)N[C@H]2CCCC[C@@H]2C)c(=O)oc2c(O)c(O)ccc12 5347794 LXWCFTZNOKRFKB-HZMBPMFUSA-N 345.395 2.750 10 40 EFCB COc1ccc(O)c([C@@H](C)NC(=O)[C@H](C)Cc2c(C)n[nH]c2C)c1 95445905 VSDOGJSVXDNFOK-GHMZBOCLSA-N 331.416 2.797 10 40 EFCB C[C@H]1CN(CCCN[C@@H](C)c2c(O)cc(F)cc2F)C[C@@H](C)O1 95939113 CXCQZQPSKLONPX-XQQFMLRXSA-N 328.403 2.820 10 40 EFCB O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1ccc(O)c(Cl)c1 408785654 XQXRGAMEIBJFPU-XYOKQWHBSA-N 342.738 2.712 10 40 EFCB C[C@@H](CO)NC(=O)C(=O)Nc1ccc(/N=N/c2ccccc2)cc1 32937351 DOXGMPBIBZVASK-ZKNCDPSRSA-N 326.356 2.538 10 40 EFCB COC(=O)CN1C(=O)/C(=C/c2c(F)cccc2Cl)SC1=S 1205684 ZHYICXARYQNQDV-YHYXMXQVSA-N 345.804 2.853 10 40 EFCB CC[C@@H](NCc1cccnc1N1CCN(C)CC1)c1ccccc1O 186135547 CPADQLAYVVIMJV-GOSISDBHSA-N 340.471 2.780 10 40 EFCB CO[C@H](C)CCOc1cc(O)c2c(c1N)C(=O)c1ccccc1C2=O 5929865 HVZBJZYBDPIRGH-SNVBAGLBSA-N 341.363 2.554 10 40 EFCB CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)NCc1ccco1 103916434 LKRFEOZTRZGZDO-WJDWOHSUSA-N 340.339 2.974 10 40 EFCB COc1ccc(N(C)CCNC(=S)Nc2cc(C)ccn2)cc1 225799467 KOWSFAVBFOAZBY-UHFFFAOYSA-N 330.457 2.821 10 40 EFCB O=C(CCc1ccncc1)N(Cc1ccccc1O)C[C@@H]1CCCO1 96410501 HCHQXDMNTNPOEA-SFHVURJKSA-N 340.423 2.928 10 40 EFCB COc1ccc(N2CCN(C(=O)/C=C/c3cccc(N)c3)CC2)cc1 256050629 FWDMSBBQFZUOHC-BJMVGYQFSA-N 337.423 2.639 10 40 EFCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccco3)C2=O)cc1Cl 521734 YENSSQXGEPJOGY-XYOKQWHBSA-N 330.727 2.908 10 40 EFCB CCCN1C(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)C(C(=O)OC)=C1C 574465 RTYFVBNHIYNTND-UVTDQMKNSA-N 330.340 2.677 10 40 EFCB Cc1oc2c(CNCCO)c(O)ccc2c(=O)c1-c1ccccc1 57312265 MYWZZVLICRQXQC-UHFFFAOYSA-N 325.364 2.556 10 40 EFCB COC(=O)c1ccc(/C=C2/SC(Nc3cccnc3)=NC2=O)cc1 2305365 OMQAWILAJFRBRP-NTEUORMPSA-N 339.376 2.951 10 40 EFCB CCC[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc(O)cc2)SC1=S 4795549 NWTMBZAOESKGQC-SERMCNLOSA-N 337.422 2.847 10 40 EFCB CCc1ccc(S(=O)(=O)Nc2ccc(O)c(C(=O)OC)c2)cc1 94992755 SLBHSCQIKMNWPP-UHFFFAOYSA-N 335.381 2.542 10 40 EFCB C[C@@H](NCc1c(O)ccc2c(-c3ccccc3)cc(=O)oc12)C(=O)O 405961 AWEFXECHEHYAIJ-LLVKDONJSA-N 339.347 2.728 10 40 EFCB biogenic COc1ccc(N(CCCOc2ccc(F)cc2)CCC(N)=O)cc1 27387568 YRFFDWZGJORUOV-UHFFFAOYSA-N 346.402 2.985 10 40 EFCB Cc1[nH]ncc1C(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1 78999533 GMMPQLJHEQAUME-QGZVFWFLSA-N 342.443 2.606 10 40 EFCB CS[C@@H](C)CC(=O)N[C@H](C)c1ccc(N2CCN(C)CC2)cc1 97021858 MJKUIZKJTOBVQP-LSDHHAIUSA-N 335.517 2.757 10 40 EFCB COCCn1c(-c2ccccc2)cnc1SCC(=O)NC(C)C 44085857 FLTQXJOPLCDRLF-UHFFFAOYSA-N 333.457 2.813 10 40 EFCB CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1ccn(C)c(=O)c1 28497656 NKLZAFUUYLNENW-UHFFFAOYSA-N 339.439 2.648 10 40 EFCB CCc1nnsc1C(=O)NC1CCN(c2ccc(OC)cc2)CC1 69571604 RQRQRWGNRQKHGR-UHFFFAOYSA-N 346.456 2.508 10 40 EFCB COc1ccc2nc3ccccc3c(NCCNC[C@@H](C)O)c2c1 6491833 HTYURTLQTGVNJH-CYBMUJFWSA-N 325.412 2.779 10 40 EFCB CN1c2ccccc2C(=O)N[C@@H]1/C=C/c1cn(Cc2ccccc2)nn1 12542389 CHLDBJHABNHAMM-CVTTXWKISA-N 345.406 2.546 10 40 EFCB COc1cccc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)c1 5097767 DTVRAWWGZAQULT-IBGZPJMESA-N 341.455 2.794 10 40 EFCB biogenic CN1CCc2cc([C@@H](CNC(=O)c3ccco3)N3CCCC3)ccc21 8963309 NQSIWECAWPYDBO-GOSISDBHSA-N 339.439 2.839 10 40 EFCB C[C@H]1Oc2ccccc2O[C@H]1C(=O)N(C)Cc1ccc(N(C)C)cc1 36650461 FAGNOAVQEHGLIS-AUUYWEPGSA-N 340.423 2.940 10 40 EFCB CCOc1ccc(/C=C2\SC(N3CCN(CC)CC3)=NC2=O)cc1 19841937 RRCRJOCSCKDJLN-SSZFMOIBSA-N 345.468 2.693 10 40 EFCB COc1ccc(N2CCN(C(=O)c3cc(C(C)C)on3)CC2)cc1 82320223 YUZBHZFPWRFHLG-UHFFFAOYSA-N 329.400 2.769 10 40 EFCB CN(C)c1ccc(CN(CC2CC2)C(=O)CCc2cnn(C)c2)cc1 69774636 KXWWWUYKBQYYGU-UHFFFAOYSA-N 340.471 2.858 10 40 EFCB Cc1ccccc1N1C(=O)NC(=O)/C(=C/Nc2ccc(F)cc2)C1=O 17122524 ZRFCOENCMJOTLV-UVTDQMKNSA-N 339.326 2.713 10 40 EFCB COc1cc(C)c(S(=O)(=O)Nc2ccc3c(c2)OCO3)cc1C 55545902 CVFCUVRQFUQYHW-UHFFFAOYSA-N 335.381 2.842 10 40 EFCB O=C(NCc1ccc(N2CCSCC2)cc1)c1ccccc1O 48375112 BVPLBXLRGXOCNI-UHFFFAOYSA-N 328.437 2.875 10 40 EFCB CC[C@@H](C)[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccco2)SC1=S 5373809 RZROLVPZECBAGU-PVVKEOSYSA-N 325.411 2.980 10 40 EFCB CCN(CC)c1ccc([C@H]2NC(=O)N(C)C(C)=C2C(=O)OC)cc1 3110928 MSNKNZMXXMEPIY-MRXNPFEDSA-N 331.416 2.676 10 40 EFCB O=C1N=C(Nc2ccccc2O)S/C1=C\c1ccc(O)c(O)c1 1774233 AGDFDVPEEQPNAX-ZSOIEALJSA-N 328.349 2.886 10 40 EFCB CCc1nc(CC(=O)NCc2ccc3c(c2)CCCN3C)cs1 58770368 XIXOOCKCLOVLMH-UHFFFAOYSA-N 329.469 2.947 10 40 EFCB COc1ccc(-c2n[nH]cc2/C=C2/SC(S)=NC2=O)cc1OC 17072259 NHRGDAUBQXLPBW-WUXMJOGZSA-N 347.421 2.994 10 40 EFCB O=S(=O)(O)c1c(O)c2ccccc2c2nc3ccccc3nc12 31949606 RUBBOFCEQQSPGR-UHFFFAOYSA-N 326.333 2.889 10 40 EFCB O=C1NC(c2c[nH]c3ccc(O)cc23)=C/C1=C1\C(=O)Nc2ccccc21 14829611 XAPNKXIRQFHCHN-QGOAFFKASA-N 343.342 2.750 10 40 EFCB biogenic,in-vitro COc1ccc(N(CCOc2cccc(C)c2)CCC(N)=O)cc1 14703189 BNFCGFHSYNNTKI-UHFFFAOYSA-N 328.412 2.764 10 40 EFCB CCN1C(=O)/C(=C\c2ccccc2OCCC(=O)O)SC1=S 16905297 PZQFASIVYOYQMH-FMIVXFBMSA-N 337.422 2.761 10 40 EFCB CCCOc1c(Cl)cc(C=C2C(=O)NC(=O)NC2=O)cc1Cl 409039327 COSJMKAQPYBSLU-UHFFFAOYSA-N 343.166 2.532 10 40 EFCB C1=C(c2c[nH]c3ncccc23)CCN(c2cc(-n3ccnc3)ncn2)C1 77188367 AGHDEBVFGZKBSU-UHFFFAOYSA-N 343.394 2.832 10 40 EFCB COc1ccc(/N=N/[C@H]2C(=O)N(C(=O)c3ccncc3)N=C2C)cc1 104204143 USMQMOHXACCYKA-FZFLATATSA-N 337.339 2.601 10 40 EFCB CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C\NCc1ccco1 16671903 KQXLCJJKLXAKJF-GDNBJRDFSA-N 326.312 2.584 10 40 EFCB CCCOC(=O)CN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S 1809282 QGZBRNCJLJHUSI-WQLSENKSSA-N 339.413 2.980 10 40 EFCB Cc1noc(C)c1NC(=O)/C=C/c1ccc(N2CCOCC2)cc1 71888794 LBGLZPWFLQIDRL-VMPITWQZSA-N 327.384 2.780 10 40 EFCB O=C1c2ccccc2N[C@@H](c2ccc(O)c(O)c2)N1C[C@@H]1CCCO1 8780467 IOSPCTOFZAANEG-SCLBCKFNSA-N 340.379 2.843 10 40 EFCB CN(C)c1ccc(/C=C2/SC(=O)NC2=O)cc1Br 2869716 QANNJOPPUUVABX-UXBLZVDNSA-N 327.203 2.839 10 40 EFCB COc1ccc2nc3cc(Cl)ccc3c(NC[C@H](O)CO)c2c1 6484896 ZTFCJHHWDCOOOK-NSHDSACASA-N 332.787 2.815 10 40 EFCB CCOC(=O)CSC1=NC(=O)/C(=C/c2ccc(OC)cc2)S1 342883 ZRQNZGVUNYGXLE-WQLSENKSSA-N 337.422 2.962 10 40 EFCB CC(=O)NN1C(=O)/C(=C\c2ccccc2OC(C)C)SC1=S 2799090 RDKKJRRIOKGDKY-MDWZMJQESA-N 336.438 2.726 10 40 EFCB CCn1c(-c2ccc(Br)cc2)cnc1SCC(N)=O 7124478 AGWPJGMZHVBBHY-UHFFFAOYSA-N 340.246 2.910 10 40 EFCB COc1ccc(/C=C2\SC(=S)N(C)C2=O)c(OC)c1OC 54486370 RHIKOEDLRAIGPZ-YFHOEESVSA-N 325.411 2.543 10 40 EFCB O=C1c2ccccc2C(=O)c2c(NCCO)ccc(Br)c21 100720964 FRWNEIKNYYDOPQ-UHFFFAOYSA-N 346.180 2.629 10 40 EFCB CCN(CC)c1ccc(CNC(=O)[C@H]2C[C@H]2c2cnn(C)c2)cc1F 66841409 GBHSIPUQHOHFFX-HOTGVXAUSA-N 344.434 2.825 10 40 EFCB COc1ccc(C(C)(C)NC(=O)c2cc([N+](=O)[O-])cnc2C)c(O)c1 89534642 IWMIOFPLBGQCCI-UHFFFAOYSA-N 345.355 2.678 10 40 EFCB CN1CCCc2cc([C@H](CNC(=O)NC(C)(C)C)N(C)C)ccc21 35597165 QTEXHLWDKQBNLN-KRWDZBQOSA-N 332.492 2.769 10 40 EFCB Cc1cccc([C@H]2CC(c3ccccc3O)=NN2S(C)(=O)=O)c1 95116798 XKFXJQKGLUTRAI-MRXNPFEDSA-N 330.409 2.811 10 40 EFCB Cc1cnccc1CCNCc1ccc(N2CCC(O)CC2)cc1 585140822 JVRCFUVVDJACFN-UHFFFAOYSA-N 325.456 2.683 10 40 EFCB O=C1NN(c2cccc(Br)c2)C(=O)/C1=C\c1ccccc1 71227 KPLCKCHMPZEXRK-ZROIWOOFSA-N 343.180 2.911 10 40 EFCB C[C@H]1CN(Cc2c(O)ccc3c4c(c(=O)oc23)CCCC4)C[C@H](C)O1 19793189 MYHOLLPXOSCRSS-STQMWFEESA-N 343.423 2.987 10 40 EFCB CC[C@H](C)N1C(=O)/C(=C/Nc2ccc3c(c2)CCC3)C(=O)NC1=S 9360746 FMQLGFVETYUARP-KBVGCWLLSA-N 343.452 2.513 10 40 EFCB Cc1noc(C)c1CNC(=O)NCCCSc1nccs1 95413419 GQCNBMXPWSUSFR-UHFFFAOYSA-N 326.447 2.730 10 40 EFCB CN1CCN(C(=O)/C=C/c2ccc(N3CCCCCC3)cc2)CC1 24768417 RPAVUNYNYLTWQD-DHZHZOJOSA-N 327.472 2.854 10 40 EFCB COc1ccc(N2CCCN(C(=O)c3cccc(F)n3)CC2)cc1 95436688 PRMNVOWWBKZZQW-UHFFFAOYSA-N 329.375 2.582 10 40 EFCB COc1ccc(N2CCC(NC(=O)NCc3ccco3)CC2)cc1 65538879 BKCZMQFBDVSJCV-UHFFFAOYSA-N 329.400 2.756 10 40 EFCB Cc1cccc([C@@H]2CC(c3ccccc3O)=NN2S(C)(=O)=O)c1 95116797 XKFXJQKGLUTRAI-INIZCTEOSA-N 330.409 2.811 10 40 EFCB COc1ccc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1 12644664 CLYOPURJBSKMTD-UHFFFAOYSA-N 340.423 2.804 10 40 EFCB Cc1ccc(-c2cnc(SCC(=O)NC[C@H]3CCCO3)n2C)cc1 10347550 IVYFGEUFLVPLPF-OAHLLOKOSA-N 345.468 2.783 10 40 EFCB Cc1cc(C(=O)N2CCC[C@H]2Cn2cccn2)c(C)n1-c1ccccn1 69921925 RQEUOAMISGGAQD-KRWDZBQOSA-N 349.438 2.990 10 40 EFCB O=C1NC(=O)N(c2cccc(F)c2)C(=O)/C1=C/c1cccc(F)c1 408909365 GTOBSLOSEMXDFS-RIYZIHGNSA-N 328.274 2.631 10 40 EFCB COCCCN1C(=O)/C(=C/c2ccc(OC)c(O)c2)SC1=S 96935957 PQZSXUXYNTZARI-LCYFTJDESA-N 339.438 2.639 10 40 EFCB Cc1ccc(N2CCCC2)c(C(=O)NCCc2ccc(O)c(O)c2)c1 84131330 YUBYFBVEZSLTJW-UHFFFAOYSA-N 340.423 2.979 10 40 EFCB CCc1c(C)sc(NS(=O)(=O)c2ccc(C)cc2)c1C(N)=O 17071029 KTWWJFDJCPYCPC-UHFFFAOYSA-N 338.454 2.827 10 40 EFCB NS(=O)(=O)c1ccc(-c2nc(-c3ccc(O)c(O)c3)cs2)cc1 58310047 HBIBHDGTIVHYSJ-UHFFFAOYSA-N 348.405 2.536 10 40 EFCB CC(=O)N[C@@H]1C[C@H](c2ccc(O)c(CN(C)C)c2)O[C@@H]2CCC[C@@H]12 257200192 ACIMDAPGMPUWEF-QFHJOOASSA-N 332.444 2.589 10 40 EFCB O=C(NCc1ccc(N2CCCC2)cc1)c1ccnc(-n2ccnc2)c1 48322504 CCPIHUZDUUVUCP-UHFFFAOYSA-N 347.422 2.798 10 40 EFCB Cc1cccc(-n2c(C)cc(C(=O)N3CCC(C(N)=O)CC3)c2C)c1 8230282 CPRSDWDGZKNGHN-UHFFFAOYSA-N 339.439 2.740 10 40 EFCB Cc1cccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(C)c3C)C2=O)c1 408782020 FJBRJBMBOBNPQF-MHWRWJLKSA-N 337.379 2.617 10 40 EFCB Cc1[nH]ncc1C(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1 78999526 GMMPQLJHEQAUME-KRWDZBQOSA-N 342.443 2.606 10 40 EFCB Cc1ncsc1/C=C1/CCn2c1nc1cc(C(=O)O)ccc1c2=O 608097811 DCXHWGIDZRZWRU-YFHOEESVSA-N 339.376 2.804 10 40 EFCB O=C1CC[C@@H](NCc2ccccc2O)[C@H](c2cc(F)cc(F)c2)N1 19349564 UHXMHCXZVRQLFM-QAPCUYQASA-N 332.350 2.780 10 40 EFCB Cc1cc2n(n1)C[C@H](CNCc1ccc(N3CCCC3)cc1)CN2 58314803 MHBURQYEQKZGLP-QGZVFWFLSA-N 325.460 2.623 10 40 EFCB Cc1nn(-c2ccccc2)c(O)c1/C=C1\SC(=S)N(C)C1=O 33827052 ADSZPGYXSLKNEG-WQLSENKSSA-N 331.422 2.717 10 40 EFCB COc1ccc([C@@H](O)CN2CCN(c3ccc(OC)cc3)CC2)cc1 62005034 HBLGUORAKVBALI-FQEVSTJZSA-N 342.439 2.559 10 40 EFCB CCOC(=O)[C@@H]1CCCN(C(=O)/C=C/c2ccc(N(C)C)cc2)C1 29570409 LVLDAVSFKOKDAR-ONOODXEBSA-N 330.428 2.568 10 40 EFCB Cc1ccc([C@@H]2CC(c3ccccc3O)=NN2S(C)(=O)=O)cc1 97165878 LETXHYWUCNNSOE-INIZCTEOSA-N 330.409 2.811 10 40 EFCB O=C1NC(=S)N(c2cccc(F)c2)C(=O)/C1=C/c1cccs1 409021758 XOXPZRIOCVLJKW-XYOKQWHBSA-N 332.381 2.719 10 40 EFCB COc1ccc(Cc2c3cc(O)c(O)cc3cc[n+]2C)cc1OC 1657252 WBMGWJGLUWZFEE-UHFFFAOYSA-O 326.372 2.684 10 40 EFCB CCN1C(=O)/C(=C(/O)c2ccc(OC)c(OC)c2)SC1=S 101702397 BPTDMLUDCANPHC-QXMHVHEDSA-N 325.411 2.811 10 40 EFCB CC[C@@H](C)[C@@H](NCc1c(O)ccc2c3c(c(=O)oc12)CCC3)C(=O)O 4749675 XEJBAUCIBQPVLC-QLJPJBMISA-N 345.395 2.576 10 40 EFCB Cc1c(CC(=O)N[C@@H]2CCCC[C@@H]2C)c(=O)oc2c(O)c(O)ccc12 5347792 LXWCFTZNOKRFKB-IINYFYTJSA-N 345.395 2.750 10 40 EFCB COc1ccc(N2CCC(N(C)C(=O)c3cc(C)no3)CC2)cc1 65614828 OUVAXTLGUHHJGW-UHFFFAOYSA-N 329.400 2.733 10 40 EFCB CC1=NN(C(N)=S)C(=O)[C@H]1/N=N/c1ccc(Cl)cc1Cl 84715595 BYVWRUPWZYBGOZ-FZQCLQRZSA-N 330.200 2.907 10 40 EFCB CCOc1cc(/C=C2/C(=N)N3C=C(C)SC3=NC2=O)ccc1O 41083642 DLFKWUJNRRPXQF-NUBUYGHXSA-N 329.381 2.958 10 40 EFCB Cn1cccc1/C=C1\SC(=S)N(NC(=O)c2ccccc2)C1=O 13483289 DJQMOTZGOYRIDR-RAXLEYEMSA-N 343.433 2.571 10 40 EFCB aggregator CCN1C(=O)/C(=C\N2CCN(c3ccccc3)CC2)SC1=S 18060276 CJPSKIOUQFGRPD-WYMLVPIESA-N 333.482 2.530 10 40 EFCB C[n+]1cccc(/C=C/[C@@]23NC(=O)CCN2c2ccccc2C3(C)C)c1 16605547 FGVJOCLRUDDKQB-XMZCSZCVSA-O 334.443 2.538 10 40 EFCB CC(C)C[C@H](NCc1c(O)ccc2c3c(c(=O)oc12)CCC3)C(=O)O 101177 FKCINNAUPBOGSI-HNNXBMFYSA-N 345.395 2.576 10 40 EFCB biogenic Cc1cc(NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)no1 48354294 ZRMCOQHKKGNCBD-AWEZNQCLSA-N 331.372 2.902 10 40 EFCB Cc1csc2nc(CN(C)Cc3ccc(N(C)C)cc3)cc(=O)n12 8429752 GOZWYCQWYBVITK-UHFFFAOYSA-N 342.468 2.762 10 40 EFCB CC[C@H](C)[C@H](C(=O)O)N1C(=O)/C(=C/c2ccco2)SC1=S 19891106 RZROLVPZECBAGU-SMULGIRPSA-N 325.411 2.980 10 40 EFCB CCOc1cccc(CNC[C@H]2CCN(CC(F)(F)F)C2)c1O 58179146 WCZHPQCDBQPCGI-GFCCVEGCSA-N 332.366 2.765 10 40 EFCB COCCN1C(=O)/C(=C\c2ccc(Cl)cc2)C(C(=O)OC)=C1C 2208852 UHYCONNCEUQCEU-UVTDQMKNSA-N 335.787 2.659 10 40 EFCB Cc1ccsc1/C=C1\C(=O)NC(=S)N(c2ccccc2)C1=O 478897 JBYQAWSXDKKGNA-FMIVXFBMSA-N 328.418 2.888 10 40 EFCB Cc1ccc(CNCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)o1 54179219 KKUBPMPRZDBVDZ-INIZCTEOSA-N 327.428 2.580 10 40 EFCB CC(=O)Nc1ccc(O)c(C(=O)N(C)Cc2ccc(N(C)C)cc2)c1 55130168 RWNYVTDZTDRFJO-UHFFFAOYSA-N 341.411 2.689 10 40 EFCB CCCC[C@@H](NCc1c(O)ccc2c(CC)cc(=O)oc12)C(=O)O 2139794 LANFBFCBSQKIKP-CQSZACIVSA-N 333.384 2.794 10 40 EFCB biogenic CCC[C@H](NCc1c(O)ccc2c3c(c(=O)oc12)CCCC3)C(=O)O 4025702 XYIXRUSSFODCSE-HNNXBMFYSA-N 345.395 2.720 10 40 EFCB biogenic COc1ccc(N2CCCN(C(=O)c3csc(C)n3)CC2)cc1 65540129 OZHINFKMTRLFMG-UHFFFAOYSA-N 331.441 2.813 10 40 EFCB Cc1cc(C)c2[nH]c(=O)c(/C=C3\SC(=S)N(C)C3=O)cc2c1 41074251 UNXLRTFPQREHTM-GHXNOFRVSA-N 330.434 2.976 10 40 EFCB O=C1NN=C(C(F)(F)F)/C1=C/NCc1cccc(C(F)(F)F)c1 100329418 ABALIUONNHETAO-TWGQIWQCSA-N 337.223 2.727 10 40 EFCB CCCCO[C@@H](C)C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 75124246 TYFUOSZREAFYLO-INIZCTEOSA-N 348.487 2.717 10 40 EFCB CCOC(=O)c1[nH]c2ccc(OC)cc2c1/N=N/N1CCOCC1 4142391 MSDMBCCEAPASRI-VHEBQXMUSA-N 332.360 2.684 10 40 EFCB COc1cccc(-n2c(C)cc(/C=C3\NC(=O)N(C)C3=O)c2C)c1 409190017 UQUWOUFWZSCINN-SXGWCWSVSA-N 325.368 2.625 10 40 EFCB C[C@H](NCc1ccccn1)c1ccc(N2CCN(C)CC2)c(F)c1 71825361 NEINQZHQAFHFKY-HNNXBMFYSA-N 328.435 2.823 10 40 EFCB CCCCO[C@H](C)C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 75124248 TYFUOSZREAFYLO-MRXNPFEDSA-N 348.487 2.717 10 40 EFCB Cn1c(-c2ccc3c(c2)OCO3)cnc1NCc1ccc(O)c(O)c1 199412786 HPBRDTUZZIKIJV-UHFFFAOYSA-N 339.351 2.839 10 40 EFCB C[C@@H](C(=O)O)N1C(=O)/C(=C/c2cn(C)c3ccccc23)SC1=S 5477863 ZYSMNFVFINVBBI-XSHGTHSTSA-N 346.433 2.853 10 40 EFCB CCN(CC)c1ccc(CNC(=O)[C@H]2COc3ccccc3O2)cc1 79390755 RQAYJQXQIONNNC-LJQANCHMSA-N 340.423 2.989 10 40 EFCB CC(C)CN1CC2(CCN(Cc3ccc(N(C)C)cc3)CC2)C1=O 96202826 JPBBPZKUHAYIOG-UHFFFAOYSA-N 329.488 2.833 10 40 EFCB C[C@H]1CN(c2ccc(CNC(=O)C(F)(F)F)cc2F)C[C@@H](C)O1 58228267 RQBYVIQBVBUIRT-AOOOYVTPSA-N 334.313 2.618 10 40 EFCB Cc1cc(/C=C2\SC(=S)N(CC(=O)O)C2=O)cc2c1O[C@H](C)C2 12062567 ITFPQWMNTHISHM-DKBJHAQFSA-N 349.433 2.604 10 40 EFCB CCCCN1C(=O)/C(=C\c2ccc(C(=O)O)cc2)C(C(=O)OC)=C1C 4746563 PFQSHMGJCMGDIC-PTNGSMBKSA-N 343.379 2.858 10 40 EFCB CC(=O)NN1C(=O)/C(=C\C2=Cc3ccccc3O[C@@H]2C)SC1=S 13689887 QTNYEVWMYIRKBT-MBBDXHFBSA-N 346.433 2.646 10 40 EFCB C[C@H]1CN(C2=NC(=O)/C(=C\c3ccc(N(C)C)cc3)S2)C[C@@H](C)O1 4486142 OETWZDSBKLQHGE-AHGVEAMXSA-N 345.468 2.832 10 40 EFCB COc1ccc(N2CCC(NC(=O)NCC[C@@H]3CCCO3)CC2)cc1 65539022 AUVIVJMGVIEGQR-SFHVURJKSA-N 347.459 2.532 10 40 EFCB COc1ccc(N2CCO[C@H]2c2cn(Cc3ccccc3)nn2)cc1 216766088 FOUUAENJJYIGBS-IBGZPJMESA-N 336.395 2.870 10 40 EFCB Cc1ncsc1CNC(=O)NCCCSc1nccs1 96468905 KABRDLPIVNBHQK-UHFFFAOYSA-N 328.488 2.890 10 40 EFCB CC(C)Oc1ccccc1/C=C1/SC(N2CCOCC2)=NC1=O 91217 OGPGXBDXAMQPKR-RVDMUPIBSA-N 332.425 2.776 10 40 EFCB CCc1nc(CC(=O)N2CCN(c3ccc(OC)cc3)CC2)cs1 55106558 STNUIANUHWZNML-UHFFFAOYSA-N 345.468 2.605 10 40 EFCB O=C1/C(=C/c2cccnc2)C(O)=NC(=S)N1c1ccccc1F 59135699 QNUZWLNOJKUGPT-DHZHZOJOSA-N 327.340 2.892 10 40 EFCB COc1ccccc1/C=C1\C(=O)NN(c2ccc(Cl)cc2)C1=O 359862 TYBMVRYUZBTROC-GXDHUFHOSA-N 328.755 2.810 10 40 EFCB C[C@H]1CN(C(=O)Cc2ccc(N)cc2)C[C@@H](c2ccc(F)cc2)O1 160506942 JIAOXMGHHZRYMF-UGSOOPFHSA-N 328.387 2.939 10 40 EFCB CC1=C(C(=O)OCC(C)C)[C@H](c2ccc(N(C)C)cc2)NC(=O)N1 44566 CYKQDEKFEZYLIY-INIZCTEOSA-N 331.416 2.580 10 40 EFCB CC(=O)[C@@H](/N=N\c1ccccc1)C(=O)CS(=O)(=O)c1ccccc1 104375146 BQVGYMJSUMKDRJ-JLMFCZBYSA-N 344.392 2.771 10 40 EFCB C[C@H](NCc1ccc(N2CCOCC2)c(F)c1)[C@H](C)n1cccn1 69372346 QMZULVRIGSMLCD-GJZGRUSLSA-N 332.423 2.598 10 40 EFCB Cc1cc(Br)cc(CN2CCCC3(C2)OCCO3)c1O 95468635 ZKSXABUUPZIKJD-UHFFFAOYSA-N 342.233 2.802 10 40 EFCB CCN1C(=O)N/C(=C/c2ccc(N3CCCCC3)cc2OC)C1=O 409221563 SATWQTIOLDOFLH-RVDMUPIBSA-N 329.400 2.598 10 40 EFCB CC(C)(C)c1n[nH]cc1CNCc1ccc(N2CCOCC2)cc1 65539187 KTCWLBDWOXEJII-UHFFFAOYSA-N 328.460 2.834 10 40 EFCB Cc1cc(NC(=O)NCc2ccc(N3CCSCC3)cc2)n(C)n1 44971352 ATQGXNJLPDEIAZ-UHFFFAOYSA-N 345.472 2.603 10 40 EFCB CCOC(=O)[C@H]1CCCN(C(=O)/C=C/c2ccc(N(C)C)cc2)C1 29570412 LVLDAVSFKOKDAR-YHVDPYDOSA-N 330.428 2.568 10 40 EFCB CCN1C(=O)/C(=C/c2cc(OC)c3c(c2)OCCO3)SC1=S 96019518 MJBAFWFAFILGGC-WQLSENKSSA-N 337.422 2.688 10 40 EFCB CCCn1cc(NCc2ccc(N3CCN(C)CC3)c(F)c2)cn1 95445243 QLVLYAQTANEISK-UHFFFAOYSA-N 331.439 2.796 10 40 EFCB C[C@@H](OC(=O)/C=C/c1ccc2c(c1)CCCN2C)C(=O)N1CCCC1 83888680 DWXRJAIJWQDFQV-TUPIDYKKSA-N 342.439 2.636 10 40 EFCB CC(C)OC(=O)CN1C(=O)/C(=C/c2cccc(O)c2)SC1=S 1276851 CPJDGGFJSMBOJJ-GHXNOFRVSA-N 337.422 2.545 10 40 EFCB CC(C)(C)c1cc(CN2CCO[C@H](C(N)=O)C2)c(O)c(C(C)(C)C)c1 50927574 NTBYYNGMOIRFMR-INIZCTEOSA-N 348.487 2.673 10 40 EFCB CCN(C)c1cccc(NC(=O)c2ccc3c(c2)OCC(=O)N3)c1 58154555 GGMGBNLSMVPEIK-UHFFFAOYSA-N 325.368 2.726 10 40 EFCB CCCN(Cc1ccccc1O)C(=O)CNC(=O)c1cc(C)oc1C 66096206 SJURVVGVQXHSAE-UHFFFAOYSA-N 344.411 2.771 10 40 EFCB O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C\Nc1ccccc1Cl 105300069 STLGUKIFSFUETD-FLIBITNWSA-N 345.742 2.507 10 40 EFCB CCN(CC)Cc1cc(-n2cnc3c(S)ncnc32)ccc1O 5840109 RJMRTBARFCPDKR-UHFFFAOYSA-N 329.429 2.652 10 40 EFCB CC(C)Cn1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c2ccccc21 6513141 FVQXVMALAYCJRK-UHFFFAOYSA-N 339.395 2.731 10 40 EFCB CN1C(=O)C(=Cc2ccc(Cl)c(Cl)c2)C(=O)N(C)C1=S 59139184 ZIIBABSLUZYRAR-UHFFFAOYSA-N 329.208 2.592 10 40 EFCB Cc1nc(CNC(=O)NCCCSc2nccs2)oc1C 95413414 QPSWKDOSBXMNAT-UHFFFAOYSA-N 326.447 2.730 10 40 EFCB CC[C@H](NC(=O)CNC(=O)c1ccc(F)cc1)c1ccccc1O 69709611 AVDKQXXCKRHHLO-HNNXBMFYSA-N 330.359 2.529 10 40 EFCB COC(=O)[C@H](C)N1C(=O)/C(=C\c2c[nH]c3ccccc23)SC1=S 27563205 FVERZTARTYKGCH-PBJWJZLWSA-N 346.433 2.931 10 40 EFCB Cc1ccc(/C=C2/C(=O)N=C(S)N(c3ccc(F)cc3)C2=O)o1 1247943 UIICAWPUTNYKGD-JYRVWZFOSA-N 330.340 2.970 10 40 EFCB CCOc1ccc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c2ccccc12 59109615 MGSPPWGTKLMMCU-UHFFFAOYSA-N 338.363 2.672 10 40 EFCB C[C@H](NCc1ccncc1)c1ccc(N2CCN(C)CC2)c(F)c1 71825365 JMKKIXUGDPNMEF-HNNXBMFYSA-N 328.435 2.823 10 40 EFCB CN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H]1Cc2ccccc2O1 28405458 CXZJIUSJYRNSJM-GOSISDBHSA-N 339.439 2.898 10 40 EFCB CCN(CC)CC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 3896928 SOZKBJHGRKJKLY-UHFFFAOYSA-N 336.391 2.742 10 40 EFCB O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C\c1ccsc1 5868391 ZFEOMENYUCCBKQ-YFHOEESVSA-N 332.381 2.719 10 40 EFCB Cc1cc(C(=O)CSc2n[nH]c(N)n2)c(C)n1-c1ccccc1F 6606367 LAWJBDHSVUTMFR-UHFFFAOYSA-N 345.403 2.909 10 40 EFCB COc1cc2c(cc1O)[C@H]1Cc3ccc(OC)c(O)c3[C@H](C2)N1C 102953996 PLGXEPHZCXBYLP-KGLIPLIRSA-N 327.380 2.941 10 40 EFCB CCOC(=O)CN1C(=O)/C(=C\c2c[nH]c3ccccc23)SC1=S 27563157 CXUQILAKIHXSDP-NTUHNPAUSA-N 346.433 2.932 10 40 EFCB O=C(NN1C(=O)/C(=C/c2ccccc2)SC1=S)c1ccncc1 1090147 PJEQQFYYSRRNJI-RAXLEYEMSA-N 341.417 2.628 10 40 EFCB O=C1NC(=S)N(c2ccc(F)cc2)C(=O)/C1=C\Nc1ccccc1 5660511 WDLPXCPUCHUANI-UVTDQMKNSA-N 341.367 2.569 10 40 EFCB Cc1c(C)c2ccc(O)c(CN[C@@H](CC(C)C)C(=O)O)c2oc1=O 98038076 ADDSHZUIJALYMV-AWEZNQCLSA-N 333.384 2.704 10 40 EFCB CN(C)/N=N/c1ccc(C(=O)N[C@H](Cc2ccccc2)C(=O)O)cc1 5957199 RRZYNIPFPRIUHP-FVGNFYTDSA-N 340.383 2.673 10 40 EFCB CS(=O)(=O)c1ccccc1C(=O)Nc1cccc(N2CCCC2)c1 55462289 JPZVPIGCEYBVOI-UHFFFAOYSA-N 344.436 2.943 10 40 EFCB O=C(NN1C(=O)/C(=C/c2ccccn2)SC1=S)c1ccccc1 13285381 RCDYCLSAJKNVEM-RAXLEYEMSA-N 341.417 2.628 10 40 EFCB CC1=CN2C(=N)/C(=C/c3coc4ccccc4c3=O)C(=O)N=C2S1 20332286 BVGFZFCBBPOPKI-HGLSAHSWSA-N 337.360 2.960 10 40 EFCB CCc1ccc(N2C(=O)N=C(O)/C(=C/NN3CCCCC3)C2=O)cc1 19996505 PEEYUMNPSKTPIE-QINSGFPZSA-N 342.399 2.547 10 40 EFCB CCc1nnc(NC(=O)/C=C/c2ccc(N3CCOCC3)cc2)s1 71888755 ZXVXAAUAYVYJMQ-VMPITWQZSA-N 344.440 2.589 10 40 EFCB CCOCCCN/C(C)=C1\C(=O)N(c2ccc(OC)cc2)N=C1C 17068089 DASXWNJEQXILRU-LGMDPLHJSA-N 331.416 2.708 10 40 EFCB O=S(=O)(O)c1ccc(/N=N/c2ccc(S(=O)(=O)O)cc2)cc1 3845142 BITYYJJEVOSYCE-BUHFOSPRSA-N 342.354 2.595 10 40 EFCB O=C1N=C(O)/C(=C\c2ccc3c(c2)OCO3)C(=O)N1c1ccccc1 2067560 JXRREARYIBAULF-MDWZMJQESA-N 336.303 2.922 10 40 EFCB CN(C)c1ccc([C@@H]2NC(=O)c3ccccc3N2C)cc1[N+](=O)[O-] 24098564 UMXAQEREVQFPGR-MRXNPFEDSA-N 326.356 2.539 10 40 EFCB Cc1ccccc1[C@H]1CC(c2ccccc2O)=NN1S(C)(=O)=O 11692693 VWEDLEFRMNARQW-MRXNPFEDSA-N 330.409 2.811 10 40 EFCB O=S(=O)(NCc1ccccn1)c1cc(Cl)cc(Cl)c1O 6584072 JTSYOSZXSBFDNB-UHFFFAOYSA-N 333.196 2.573 10 40 EFCB CCc1cc(S(=O)(=O)NCc2ccc(N(C)C)cc2)ccc1OC 113969985 DXJIFFOTWIZPNY-UHFFFAOYSA-N 348.468 2.802 10 40 EFCB Cc1ccc(C)n1-c1ccc(SCC(=O)N2CCN(C)CC2)cc1 96182934 NHYXUOHWZSJLOD-UHFFFAOYSA-N 343.496 2.960 10 40 EFCB CCC1=NN2C(=N)/C(=C\c3ccc(OC)c(OC)c3)C(=O)N=C2S1 8576210 IQHSYOWIAIWXJV-KBQPTLSZSA-N 344.396 2.733 10 40 EFCB O=C(O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(O)cc2)c1 13345546 XVMLHPCMTPJNAE-UHFFFAOYSA-N 327.745 2.545 10 40 EFCB CCc1cc(=O)oc2c(CN[C@@H](C(=O)O)[C@@H](C)CC)c(O)ccc12 12661673 MTYHBWBJOZPTDY-MGPLVRAMSA-N 333.384 2.650 10 40 EFCB biogenic COc1ccc(N2CCCN(C(=O)c3cc(C4CC4)[nH]n3)CC2)cc1 65551899 ROJKZGTVFCNQCV-UHFFFAOYSA-N 340.427 2.648 10 40 EFCB OC1CCN(c2ccc(CNC[C@H]3CSCCS3)cc2)CC1 585118663 XVTOBOAFXXAHQK-KRWDZBQOSA-N 338.542 2.586 10 40 EFCB O=C(NCc1cccc(Cl)c1O)N[C@H]1CCO[C@@H]1c1cccnc1 1615207157 LFQZNXLXOZMBNS-GOEBONIOSA-N 347.802 2.770 10 40 EFCB CCOCCO[C@H](C)C(=O)NCc1ccc(N2CCCCC2)cc1 58392254 KKQPURLTBACEAH-MRXNPFEDSA-N 334.460 2.735 10 40 EFCB CCCN1C(=O)/C(=C\c2ccc(C(=O)OC)cc2)C(C(=O)OC)=C1C 574469 WPYHVJKGSNKTSA-PTNGSMBKSA-N 343.379 2.556 10 40 EFCB COCCCN1C(=O)/C(=C\c2cccc(F)c2)C(C(=O)OC)=C1C 6348277 JFUZQSSHLIYVMW-PTNGSMBKSA-N 333.359 2.535 10 40 EFCB CN(C)c1ccc([C@H]2N[C@H](C(=O)O)Cc3c2[nH]c2ccccc32)cc1 3999649 PSBAHRQDIWLSSI-ZWKOTPCHSA-N 335.407 2.922 10 40 EFCB biogenic CCCCN1C(=O)NC(=O)/C(=C/N[C@@H]2C[C@@H]3CC[C@]2(C)C3(C)C)C1=O 101508344 CZDQBOZKBPDLHX-NGFVQRBNSA-N 347.459 2.553 10 40 EFCB O=C(CSc1nccs1)Nc1cccc(C(=O)NC2CC2)c1 47248779 HAMYQFWWEONTRG-UHFFFAOYSA-N 333.438 2.766 10 40 EFCB COc1cc2c(cc1OC)[C@@H]1Cc3cc(O)c(O)cc3CN1CC2 338400 VAKIESMDOCVMDV-HNNXBMFYSA-N 327.380 2.771 10 40 EFCB biogenic,in-vitro COc1cc(/N=N/c2ccc(C)cc2S(N)(=O)=O)c(C)cc1N 100500843 VNPNPJCNLYTEET-VHEBQXMUSA-N 334.401 2.957 10 40 EFCB CCc1ccc2nc(NC=C3C(=O)OC(C)(C)OC3=O)sc2c1 23127154 BHSNSGDXRPZRQB-UHFFFAOYSA-N 332.381 2.991 10 40 EFCB O=C(C[C@H]1SC(=S)NC1=O)Nc1ccc(Cl)cc1Cl 34926788 BSRCVEJKXNEALK-MRVPVSSYSA-N 335.237 2.839 10 40 EFCB COc1ccc(N(CC(=O)NC2CCOCC2)[C@H](C)C2CC2)cc1 78922831 DUCCBSKPJYMDSI-CQSZACIVSA-N 332.444 2.595 10 40 EFCB O=C(Nc1cccc(N2CCCC2)c1)c1ccc2nc(CO)[nH]c2c1 585135427 JFAMKHFFVDSPQN-UHFFFAOYSA-N 336.395 2.908 10 40 EFCB CC(C)(COCc1ccccc1)C(=O)NCc1ccc(O)c(O)c1 252497643 QLPMRMLOTXHNQK-UHFFFAOYSA-N 329.396 2.957 10 40 EFCB Cc1cc(O)c(CN2CCC(C(=O)Nc3cnccn3)CC2)cc1C 58168865 GEZJPOTUUMYSFE-UHFFFAOYSA-N 340.427 2.650 10 40 EFCB CC(C)OC(=O)c1c(NC(=O)CCC(=O)O)sc2c1CCC2 5727290 VJOBETNPDWOKGW-UHFFFAOYSA-N 325.386 2.605 10 40 EFCB CCCCOc1ccc2ccccc2c1C=C1C(=O)NC(=O)NC1=O 409007073 MTXZRDYQESLHKY-UHFFFAOYSA-N 338.363 2.768 10 40 EFCB Cc1ccc(N2C(=O)NC(=O)/C(=C/NCc3ccccc3)C2=O)cc1C 6503800 AMFGIIRHBIZMHW-ATVHPVEESA-N 349.390 2.560 10 40 EFCB COc1ccc(N2CCCN(C(=O)c3cccc(C)n3)CC2)cc1 65530664 AUJSYUGJVGOFMH-UHFFFAOYSA-N 325.412 2.751 10 40 EFCB CN(C)c1ccc(CNCc2ccc(-n3cncn3)c(F)c2)cc1 55472419 UKFNHZMQTHLEQI-UHFFFAOYSA-N 325.391 2.762 10 40 EFCB CN(CC1CCCC1)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 58236535 AQRAFWGHLSZWNI-UHFFFAOYSA-N 349.450 2.994 10 40 EFCB Cc1noc(C)c1C(=O)N[C@H](C)c1ccc(N2CCN(C)CC2)cc1 55711216 ILQYCZFSBLFVDY-CYBMUJFWSA-N 342.443 2.534 10 40 EFCB COC(=O)N1CCN(C(=O)c2sccc2-n2c(C)ccc2C)CC1 95954065 GTHMRDMFKAFZTB-UHFFFAOYSA-N 347.440 2.680 10 40 EFCB CN(C)c1ccc(CN(CCCn2ccnc2)Cc2cnc[nH]2)cc1 19584959 WLTSOJGIXORRHN-UHFFFAOYSA-N 338.459 2.765 10 40 EFCB CC(=O)N1CCN(C(=S)c2ccc(-c3ccc(F)cc3)o2)CC1 523941 WYHPQYKVFXEKJX-UHFFFAOYSA-N 332.400 2.925 10 40 EFCB Cc1nn(CN(C)Cc2ccc(N(C)C)cc2)c(=O)c2ccccc12 21995174 TVUMEGMMIQRDHR-UHFFFAOYSA-N 336.439 2.860 10 40 EFCB CCCCN1CCc2cc(/C=C3\C(=O)N(C)C(=O)N=C3O)ccc21 33345389 IBZSXHCGUHRCFF-KAMYIIQDSA-N 327.384 2.781 10 40 EFCB O=C(NCc1cccc(O)c1O)Nc1ccc([C@H]2CCOC2)cc1 1616039262 ZEXSFWQKJHCNEX-AWEZNQCLSA-N 328.368 2.923 10 40 EFCB O=C(O)CCN1C(=O)/C(=C/c2cccc3cccnc23)SC1=S 6660540 PRRICRRQVRROMD-XFXZXTDPSA-N 344.417 2.911 10 40 EFCB CN(c1ccc(CNC(=O)[C@@H]2CCC(=O)NC2)cc1)C1CCCCC1 58357140 WUMWGCRTZJIYDL-MRXNPFEDSA-N 343.471 2.598 10 40 EFCB O=[N+]([O-])c1ccc(O)c(CN2CCC(O)(c3ccccc3)CC2)c1 1562757 RWOBIMONSFQVQE-UHFFFAOYSA-N 328.368 2.784 10 40 EFCB NC(=O)[C@@H]1CCCN(c2ccc(CNCc3ccccc3F)cc2)C1 54179348 PEQQJIVBJAWNAX-QGZVFWFLSA-N 341.430 2.817 10 40 EFCB CCNC(=O)CSc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1 11641398 RNYDVFBSXVKRTN-HNNXBMFYSA-N 345.468 2.957 10 40 EFCB O=C(Cc1cn2ccsc2n1)NCCCSc1nccs1 79352622 PLFVFSXAOSBOBG-UHFFFAOYSA-N 338.483 2.693 10 40 EFCB CCCNC(=O)[C@@H](C)NC(=O)c1cc(C)n(-c2ccccc2F)c1C 32906364 PWZJBKIVSCBJLG-CYBMUJFWSA-N 345.418 2.878 10 40 EFCB Cc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)cc1 573828 UASCJHRRNYFZNW-XNTDXEJSSA-N 340.379 2.965 10 40 EFCB O[C@]1(c2ccccc2)CN2CCCSC2=[N+]1Cc1ccccc1 4176389 OWXFRFYSAVFLDY-IBGZPJMESA-N 325.457 2.853 10 40 EFCB Cn1cccc1/C=C1\C(=O)N(Cc2ccc(F)cc2)C(=S)N=C1O 17147493 LBIKHEQYPNHVFY-ZROIWOOFSA-N 343.383 2.831 10 40 EFCB Cc1ccc(C2=NN(C(=O)CCC(=O)O)[C@@H](c3ccccc3O)C2)o1 80316120 MCCAOKMALDFUMD-CQSZACIVSA-N 342.351 2.836 10 40 EFCB CN1CC[C@@H](NC(=O)c2ccc(O)c(O)c2)[C@@H]1c1ccc(Cl)cc1 97235285 LSYOXLAYZMJQKP-PBHICJAKSA-N 346.814 2.926 10 40 EFCB O=C1CCCN1c1cccc(NC(=S)NCc2ccccn2)c1 225330684 IOSLRZIHYWASIZ-UHFFFAOYSA-N 326.425 2.695 10 40 EFCB Cc1ccccc1/C=C1/C(=O)NC(=S)N(c2ccc(F)cc2)C1=O 4600275 KKOKVVMXPCASAW-GDNBJRDFSA-N 340.379 2.965 10 40 EFCB CCO[C@H]1CCCN(C(=O)NCc2ccc3c(c2)CCCN3C)C1 57661140 ILMDFRUVNUEMME-KRWDZBQOSA-N 331.460 2.780 10 40 EFCB C[C@H]1CN(c2ccc(CNC(=O)c3ccncc3)cc2F)C[C@@H](C)O1 55529927 WKWJVVUMVLBMSN-OKILXGFUSA-N 343.402 2.764 10 40 EFCB CC1=NN(c2ccc(C)cc2)C(=O)/C1=C/Nc1ccc2[nH]c(=O)[nH]c2c1 13615037 UETFHPNZJPQCMX-XNTDXEJSSA-N 347.378 2.883 10 40 EFCB COc1cc(CNCc2ccc(N(C)C)cc2)cc2c1OCCO2 17318096 YQBBWNDNTKKMOK-UHFFFAOYSA-N 328.412 2.822 10 40 EFCB COc1ccc(N2CCC(NC(=O)COc3ccccc3)CC2)cc1 69950316 PQSQLQYOWAOBAH-UHFFFAOYSA-N 340.423 2.859 10 40 EFCB COC(=O)c1ccc(NC(=O)NCc2cccc(OC)c2O)c(C)c1 72274145 LZZGCRMKZZMFFV-UHFFFAOYSA-N 344.367 2.818 10 40 EFCB Cc1cc(C)c2c(N)c(C(=O)O[C@@H](C)C(=O)NC(C)C)sc2n1 22989291 OHEQDJAHKIQMLQ-JTQLQIEISA-N 335.429 2.565 10 40 EFCB CC(=O)Oc1ccccc1C=C1C(=O)OC2(CCCCC2)OC1=O 58865802 UJPLAVIEEZEOLO-UHFFFAOYSA-N 330.336 2.756 10 40 EFCB Cc1ccc(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c(=O)[nH]1 75118401 ROARISQSFGPXIN-UHFFFAOYSA-N 339.439 2.946 10 40 EFCB Cc1c(CC(=O)NC2CCCCC2)c(=O)oc2c(O)c(O)ccc12 5345940 AQWKUUFZOKQTKG-UHFFFAOYSA-N 331.368 2.504 10 40 EFCB O=S(=O)(NCc1cccnc1)c1cc(Cl)cc(Cl)c1O 6584571 KOPUJPAPCMBATJ-UHFFFAOYSA-N 333.196 2.573 10 40 EFCB O=C1N=C(Nc2ccc(O)c(C(=O)O)c2)S/C1=C\c1ccco1 16904119 ISWRHTRZQMKCDP-GHXNOFRVSA-N 330.321 2.766 10 40 EFCB CCn1cc(/C=C2/SC(N3CCc4ccccc4C3)=NC2=O)cn1 36621261 MOPOLQQBFQNGII-CXUHLZMHSA-N 338.436 2.932 10 40 EFCB CCCC12CN3CC(CCC)(CN(C1)C3c1ccc(O)c(O)c1)C2=O 19323922 LXTKKFLENRKRKW-UHFFFAOYSA-N 344.455 2.883 10 40 EFCB biogenic CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(N2CCOCC2)o1 408900952 ANQHPGWBFZRNFK-GHRIWEEISA-N 337.379 2.922 10 40 EFCB Cc1cc(NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)no1 48354295 ZRMCOQHKKGNCBD-CQSZACIVSA-N 331.372 2.902 10 40 EFCB Cc1nn(C)c2sc(C(=O)NCc3ccc(N(C)C)cc3)cc12 12806276 TZQJKMHMYFVEDC-UHFFFAOYSA-N 328.441 2.939 10 40 EFCB COc1cccc(/C=C2\C(=O)N(c3ccccc3)C(=O)N=C2O)c1O 38184646 MLXPNJIFQGKOFI-RAXLEYEMSA-N 338.319 2.908 10 40 EFCB COc1ccc2ccccc2c1/C=C1\SC(NC(C)=O)=NC1=O 5562599 WRNXEHVOVZMUBR-DHDCSXOGSA-N 326.377 2.955 10 40 EFCB COc1ccc(OC)c(NC=C2C(=O)OC3(CCCCC3)OC2=O)c1 100807036 MAKGRHCGZCAMFA-UHFFFAOYSA-N 347.367 2.760 10 40 EFCB Cc1cccc(N2C(=O)NC(=O)/C(=C/c3cccc(O)c3)C2=O)c1C 408935166 HBDFXPQKGKJBBW-GDNBJRDFSA-N 336.347 2.675 10 40 EFCB C[C@H]1CN(CN2C(=O)/C(=C/c3ccco3)SC2=S)C[C@@H](C)O1 15931358 FMCGIARIWDEUSB-IMQPGDGPSA-N 338.454 2.548 10 40 EFCB O=C(Cc1ccc2c(c1)CCO2)NCCCSc1nccs1 69895973 FPDZRHRWBUSEBB-UHFFFAOYSA-N 334.466 2.919 10 40 EFCB O=C1N=C(N[C@@H](C(=O)O)C2CCCCC2)S/C1=C/c1ccco1 1395033 NWJFNOJMQJWNSR-CNELAYHGSA-N 334.397 2.873 10 40 EFCB COC(=O)C1=C(C)N(C(C)C)C(=O)/C1=C\c1cccc([N+](=O)[O-])c1 59959477 YGOZKWPTAIBVLI-ZROIWOOFSA-N 330.340 2.676 10 40 EFCB CCN(CC)c1ccc([C@@H]2Nc3ccccc3S(=O)(=O)N2)cc1 67350825 REOMOVHIJRAAPZ-QGZVFWFLSA-N 331.441 2.935 10 40 EFCB CN1CCc2c(sc3c2C(O)=N[C@H](c2ccc(O)c(O)c2)N3)C1 4981632 YZWWUKWPGWEOOB-AWEZNQCLSA-N 331.397 2.576 10 40 EFCB CN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(-n2cncn2)cc1 8429026 NUIZESUKINEZNJ-UHFFFAOYSA-N 335.411 2.606 10 40 EFCB O=C(NN1C(=O)/C(=C\c2ccc[nH]2)SC1=S)c1cccs1 409331277 NPCSOKTYOSORKB-JXMROGBWSA-N 335.435 2.622 10 40 EFCB Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1CNCc1ccc2c(c1)CCO2 76042660 OWWKDEYEYPANDL-XLIONFOSSA-N 341.455 2.839 10 40 EFCB O=C1NN(c2cccc(Br)c2)C(=O)/C1=C\c1cccs1 5671017 BYTBTVUPGMKVHA-WQLSENKSSA-N 349.209 2.972 10 40 EFCB CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2ccncc2)cc1 12553078 ZEYUCZRXZBBDPD-IBGZPJMESA-N 339.439 2.969 10 40 EFCB CC[C@@H]1CN(C(=O)C2CC2)CC[C@H]1NCc1ccc2c(c1)CCO2 89948979 UJEHGOYVNYSYEJ-CRAIPNDOSA-N 328.456 2.748 10 40 EFCB CC1=NN(c2ccccc2)C(=O)[C@H]1/N=N/c1ccc(O)c(C(=O)O)c1 38166739 WNZHTWQYKDAJSH-MJWGMMHASA-N 338.323 2.965 10 40 EFCB COc1ccc2c(/C=C3\SC(=S)N(C)C3=O)c(C(=O)O)[nH]c2c1 256055538 KDHITKIDUNANHD-WDZFZDKYSA-N 348.405 2.706 10 40 EFCB NC(=O)[C@@H]1CCCN(c2ccc(CNCc3ccsc3)cc2)C1 54179230 QKMXFBMEDIBLNI-MRXNPFEDSA-N 329.469 2.740 10 40 EFCB COC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(O)cc2)c1 95349473 SZVYYVVHBZJRIZ-UHFFFAOYSA-N 341.772 2.633 10 40 EFCB CC[C@@H](C)[C@H](NCc1c(O)ccc2c3c(c(=O)oc12)CCC3)C(=O)O 4749672 XEJBAUCIBQPVLC-HWPZZCPQSA-N 345.395 2.576 10 40 EFCB CCOc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccccc2)C1=O 408810161 TTXWZWPUYCWSAA-NTCAYCPXSA-N 336.347 2.752 10 40 EFCB CCOc1ccc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)cc1OC 41078336 MWHGOWGUDSCKEY-YSRXZBSRSA-N 327.340 2.544 10 40 EFCB COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2ccc(F)cc2C)c1 69562704 SIIGYRBXHGZYPP-NSHDSACASA-N 346.358 2.664 10 40 EFCB O=C1C=C(C2=C(O)CN(c3ccccc3)C2=O)CN1c1ccccc1 217431165 KVBBNPDWGHLILH-UHFFFAOYSA-N 332.359 2.819 10 40 EFCB O[C@@H]1CCCOC12CCN(Cc1ccc(N3CCCC3)cc1)CC2 257325297 WSIHCGVKIQIXMM-LJQANCHMSA-N 330.472 2.793 10 40 EFCB Cc1ccc([C@H]2CC(c3ccccc3O)=NN2S(C)(=O)=O)cc1 97165879 LETXHYWUCNNSOE-MRXNPFEDSA-N 330.409 2.811 10 40 EFCB C[C@H](CC(=O)NCc1ccc(N(C)C)cc1)NC(=O)c1ccccc1 15135195 BIJRYWIZFQOILU-OAHLLOKOSA-N 339.439 2.577 10 40 EFCB COc1ccc(N2CCC(NC(=O)N[C@@H](C)[C@H]3CCCO3)CC2)cc1 69583747 LBFRYAKVTUGQOH-KBXCAEBGSA-N 347.459 2.531 10 40 EFCB O[C@]1(c2ccc(F)cc2)CN2CCCSC2=[N+]1Cc1ccccc1 3259128 INRRFHYQVISBNN-IBGZPJMESA-N 343.447 2.992 10 40 EFCB CCCC[C@H](C(=O)O)N1C(=O)/C(=C\c2ccn(C)c2)SC1=S 5373962 WWQNXUZNTIDQME-OYGDSYQHSA-N 338.454 2.870 10 40 EFCB Cc1cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)c(C)n1C 202516 IWAMMWLYHGEREJ-CXUHLZMHSA-N 327.359 2.874 10 40 EFCB CNC(=O)CSc1ncc(-c2ccc(Br)cc2)n1C 6973044 QFZUUWFAQTUGCP-UHFFFAOYSA-N 340.246 2.688 10 40 EFCB Cc1nn(C)c(N(C)C)c1CNCc1ccc(N2CCCC2)cc1 58404164 ZDBJWIZCOCODTN-UHFFFAOYSA-N 327.476 2.685 10 40 EFCB CC(=O)Nc1cccc2c1CCN(Cc1cc([N+](=O)[O-])ccc1O)C2 69869336 NJUSVTICXBWYJW-UHFFFAOYSA-N 341.367 2.817 10 40 EFCB CCOC(=O)C1CCN(C2=NC(=O)/C(=C/c3ccc(C)o3)S2)CC1 532938 FFIGDESPGLYJJG-UVTDQMKNSA-N 348.424 2.833 10 40 EFCB COc1ccc(N2CCC(NC(=O)N[C@@H](C)[C@@H]3CCCO3)CC2)cc1 69583739 LBFRYAKVTUGQOH-KSSFIOAISA-N 347.459 2.531 10 40 EFCB CCN(CC)c1ccc(/C=C2\C(=O)N(C)C(=S)N=C2O)c(OC)c1 33326331 UJFUYKRTQIPIKD-LCYFTJDESA-N 347.440 2.638 10 40 EFCB COc1ccc(N2CCN([C@H](c3cccs3)[C@H](C)N)CC2)cc1 21948406 WSUXQQNLLUGNCE-KSSFIOAISA-N 331.485 2.967 10 40 EFCB CCN1/C(=C2\SC(=S)N(CC(=O)O)C2=O)C=Cc2ccccc21 2895918 GQDXQDWDWXXKQR-OWBHPGMISA-N 346.433 2.696 10 40 EFCB O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1ccc2c(c1)CCC2 6575374 FSQAYOZDWTXOEK-SFQUDFHCSA-N 332.359 2.842 10 40 EFCB COCCNC(=O)/C=C/c1cc(C)n(-c2ccc3c(c2)OCO3)c1C 12551315 ORHBGLIVJVGQIB-QPJJXVBHSA-N 342.395 2.599 10 40 EFCB CC(C)c1nnc2n1C[C@H](CNCc1ccc3c(c1)CCO3)CC2 69588873 FGKCQBQDWFEEGS-HNNXBMFYSA-N 326.444 2.689 10 40 EFCB CC[C@@H](C(=O)O)N1C(=O)/C(=C/c2cccc(OC)c2)SC1=S 5373587 JTCNRHMRKKQZJY-LCFDYFRESA-N 337.422 2.760 10 40 EFCB Cc1ccc(C(=O)NN2C(=O)/C(=C/c3ccc[nH]3)SC2=S)cc1 5552816 ORTFNKPRZFHSEM-LCYFTJDESA-N 343.433 2.869 10 40 EFCB CC(C)[C@H](C(=O)O)N1C(=O)/C(=C\c2ccccc2O)SC1=S 4976542 QCZXCYPLOQQSTI-YTRUQHMWSA-N 337.422 2.703 10 40 EFCB COc1ccc(N2CCN(C(=O)c3n[nH]c4ccccc34)CC2)cc1 8394873 NAFDIRYIAQYYOF-UHFFFAOYSA-N 336.395 2.534 10 40 EFCB O=C(NCc1c(O)ccc2c1CCCC2)c1cccc(-n2cncn2)c1 76089116 RZTYIQVFGGIJJJ-UHFFFAOYSA-N 348.406 2.782 10 40 EFCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(Br)cc1 32109759 BZBMQDOQRLXSGF-UVTDQMKNSA-N 343.180 2.911 10 40 EFCB O=C(O)CCN1C(=O)/C(=C/c2ccc3ccccc3n2)SC1=S 6660937 OTPZUEVLPDCWLU-LCYFTJDESA-N 344.417 2.911 10 40 EFCB CCOc1ccc(-n2c(C)cc(/C=C3/NC(=S)NC3=O)c2C)cc1 212045764 AACCVDJXXJCPAZ-MHWRWJLKSA-N 341.436 2.838 10 40 EFCB Cc1cccnc1NC(=S)NCc1ccc(N2CCOCC2)cc1 225422178 CSPPWEBXXCGNJC-UHFFFAOYSA-N 342.468 2.713 10 40 EFCB CC1=NN(c2ccccc2)C(=O)/C1=C\NNc1nncc2ccccc12 67317202 YALAISJDIXLSTN-ATVHPVEESA-N 344.378 2.853 10 40 EFCB O=C1NC(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1ccc(Cl)cc1 409203491 WQUNTSZXAJGRBO-NTEUORMPSA-N 342.738 2.712 10 40 EFCB CCCNC(=O)[C@H](C)NC(=O)c1cc(C)n(-c2ccccc2F)c1C 32906365 PWZJBKIVSCBJLG-ZDUSSCGKSA-N 345.418 2.878 10 40 EFCB Fc1cc(CNCc2ccc3c(c2)CCO3)ccc1N1CCOCC1 54175924 TUMQAMHUHZHFMY-UHFFFAOYSA-N 342.414 2.887 10 40 EFCB O=C(Cc1ccccc1F)Nc1ccc(O)c(CN2CCOCC2)c1 71916748 GILSJONKQRNORH-UHFFFAOYSA-N 344.386 2.545 10 40 EFCB COc1ccc(N2CCC(NC(=O)N[C@H](C)[C@H]3CCCO3)CC2)cc1 69583751 LBFRYAKVTUGQOH-RDTXWAMCSA-N 347.459 2.531 10 40 EFCB O=C(NCc1ccc(N2CCCC2)cc1)c1ccc2c(c1)OCCO2 73955061 NIPFZGBNNLGKQF-UHFFFAOYSA-N 338.407 2.988 10 40 EFCB Cc1cc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)no1 69435689 IWRBUYOYPGADRY-QGZVFWFLSA-N 343.427 2.870 10 40 EFCB CCN1CCc2c(sc3c2C(=O)N[C@H](c2ccccc2O)N3)C1 6891465 RTVYKCVNOMTQRT-HNNXBMFYSA-N 329.425 2.686 10 40 EFCB CC(=O)Nc1cccc2c1C(=O)c1c(c(O)c3ccccc3c1O)C2=O 5086137 LABURFFEYCMWBC-UHFFFAOYSA-N 347.326 2.985 10 40 EFCB CCN1C(=O)/C(=C/c2cc(OC)c(O)c(OC)c2)SC1=S 1023110 AZHIBQZSRSZPIQ-XFFZJAGNSA-N 325.411 2.631 10 40 EFCB Cc1ccc(C(=O)N2CCC[C@@H]2c2noc(C(C)C)n2)c(O)c1O 95456919 GXWQQSRIOZRXMR-GFCCVEGCSA-N 331.372 2.890 10 40 EFCB CCCC[C@@H](C(=O)O)N1C(=O)/C(=C\c2cccnc2)SC1=S 6569811 SAOQWLLQSLKEOS-SERMCNLOSA-N 336.438 2.926 10 40 EFCB CC[C@H](C(=O)O)N1C(=O)/C(=C\c2cccc(OC)c2)SC1=S 27530424 JTCNRHMRKKQZJY-OYGDSYQHSA-N 337.422 2.760 10 40 EFCB O=C1NC(=O)N(CCC2=CCCCC2)C(=O)/C1=C/c1ccc(O)cc1 13126367 KBWJNEUWFZRCKE-FOWTUZBSSA-N 340.379 2.745 10 40 EFCB CCN(CC)c1ccc(CN2CCc3c(O)nc(C)nc3C2)cc1 19526502 LAOWSBBQQYHNKJ-UHFFFAOYSA-N 326.444 2.895 10 40 EFCB COc1ccc(-n2c(C)cc(C(=O)OCC(=O)NC3CC3)c2C)cc1 16695218 VOVHFOHXJKJBSO-UHFFFAOYSA-N 342.395 2.538 10 40 EFCB CCOC(=O)c1c(NC(=O)CCC(=O)O)sc2c1CC[C@H](C)C2 356520 YQBOXYLARGFHPN-VIFPVBQESA-N 339.413 2.853 10 40 EFCB COc1ccc2c(c1)CCCN2Cc1nc2ccsc2c(=O)[nH]1 8720379 KMJYPIXUWFEBAR-UHFFFAOYSA-N 327.409 2.946 10 40 EFCB COc1ccc(N2CCN(c3cc(C)nc(SC)n3)CC2)cc1 1888913858 YXVRTJXFGXRKAM-UHFFFAOYSA-N 330.457 2.842 10 40 EFCB COc1ccc2ccc(O)c(CN3CCC4(CC3)OCCO4)c2c1 26610444 FIVVUHMEGBYXIV-UHFFFAOYSA-N 329.396 2.893 10 40 EFCB CCN1C(=O)S/C(=C/c2ccc(N3CCOCC3)c(C)c2)C1=O 409104994 HJSSVHLENQBGFW-RVDMUPIBSA-N 332.425 2.888 10 40 EFCB CCOc1cc(/C=C2/SC(=S)N(C)C2=O)cc([N+](=O)[O-])c1O 15011509 AAJJWYGWGFDTDO-UXBLZVDNSA-N 340.382 2.530 10 40 EFCB Cc1cc(C)c2c(N)c(C(=O)OCC(=O)c3cccn3C)sc2n1 21924227 NTPUANFMFAZIQP-UHFFFAOYSA-N 343.408 2.874 10 40 EFCB COc1ccc(N2CCN(C[C@H](O)c3ccc(C)cc3)CC2)cc1 62005036 GTSNXUQOUDJSQR-FQEVSTJZSA-N 326.440 2.859 10 40 EFCB biogenic CCCCCCN/C=C1/C(=O)NC(=O)N(c2cc(C)cc(C)c2)C1=O 2399281 IZTNKJYDBVRCTL-VBKFSLOCSA-N 343.427 2.940 10 40 EFCB O=S(=O)(Nc1ccc(Cl)cc1F)c1cccc2nonc12 14256163 MXYZFEBMLYINNL-UHFFFAOYSA-N 327.724 2.816 10 40 EFCB OCC1CCN(c2ccc(CNCc3cccc(O)c3)cc2)CC1 67247489 XGQBSVGHCUQDDT-UHFFFAOYSA-N 326.440 2.891 10 40 EFCB C[C@H]1CN(c2ccc(CNC(=O)c3ccccn3)cc2F)C[C@H](C)O1 55529977 JGGUFFBCRDRELC-KBPBESRZSA-N 343.402 2.764 10 40 EFCB N=C1/C(=C\c2cccs2)C(=O)N=C2SC(c3ccncc3)=NN12 5396370 DCFVOKSKJGZRFW-AHCHECIRSA-N 339.405 2.811 10 40 EFCB Cc1nc2c(C(=O)O)c(C)nn2c(O)c1Cc1ccccc1Cl 103795322 ATXBQPXQTOBFLE-UHFFFAOYSA-N 331.759 2.994 10 40 EFCB CCCCN1C(=O)N=C(O)/C(=C/c2cc(OC)c(O)c(OC)c2)C1=O 6783092 JGHVGYRYXIMEEC-XFFZJAGNSA-N 348.355 2.512 10 40 EFCB Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C\c2ccoc2)C1=O 409228564 ZGPDGFQKHAYKAN-YRNVUSSQSA-N 330.727 2.908 10 40 EFCB C[C@@H]([C@@H](C)NCc1ccc(N2CCOCC2)c(F)c1)n1cccn1 69372350 QMZULVRIGSMLCD-CABCVRRESA-N 332.423 2.598 10 40 EFCB CCc1ccc(/C=C2\C(=O)N(CCOC)C(C)=C2C(=O)OC)cc1 409053496 KIBUNUGGBDZUFV-VBKFSLOCSA-N 329.396 2.568 10 40 EFCB Cc1cc(C)cc(Cc2ccccc2C=C2C(=O)NC(=O)NC2=O)c1 408876174 JRTSDMHUPBMTSZ-UHFFFAOYSA-N 334.375 2.644 10 40 EFCB CN1C(=O)/C(=C2\SC(Nc3cccnc3)=NC2=O)c2ccccc21 5214925 FLAIFSMXVQNLRF-YPKPFQOOSA-N 336.376 2.511 10 40 EFCB Cc1n[nH]c(C(=O)NCc2ccc(N3CCSCC3)cc2)c1C 72285755 HNQJXWZBISNCLJ-UHFFFAOYSA-N 330.457 2.510 10 40 EFCB O=C1NN(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc2c(c1)OCO2 359857 ASBKQMSDFMKPKF-NTUHNPAUSA-N 342.738 2.530 10 40 EFCB Cc1noc(C)c1C(=O)N[C@@H](C)c1ccc(N2CCN(C)CC2)cc1 55711215 ILQYCZFSBLFVDY-ZDUSSCGKSA-N 342.443 2.534 10 40 EFCB COC(=O)c1c(C)oc2ccc(O)c(CN(C)C3CCN(C)CC3)c12 5182458 NSZWBHQWUZBFSV-UHFFFAOYSA-N 346.427 2.759 10 40 EFCB COc1cc(/C=C2/SC(N3CCCCC3)=NC2=O)cc(OC)c1O 96446327 QFRSJVQVMSDWDB-GXDHUFHOSA-N 348.424 2.866 10 40 EFCB CC(=O)NC1=NN(c2ccccc2)C(=O)[C@H]1/N=N/c1cccc(C)c1 97963976 HZDIIPHAEGVWBG-BZROSYFNSA-N 335.367 2.944 10 40 EFCB FC(F)(F)c1cc(N2CCOCC2)ccc1CNCc1cc[nH]n1 66973385 CQLMFECBGKFUMT-UHFFFAOYSA-N 340.349 2.555 10 40 EFCB O=C(NCc1cccc(Cl)c1O)N[C@@H]1CCO[C@H]1c1cccnc1 1548453978 LFQZNXLXOZMBNS-ZBFHGGJFSA-N 347.802 2.770 10 40 EFCB Cc1c(/C=C2\SC(N3CCc4ccccc4C3)=NC2=O)cnn1C 36621427 XMJLKRUNHYXIDY-SXGWCWSVSA-N 338.436 2.757 10 40 EFCB CCOc1ccccc1/C=C1\C(=O)NC(=O)N(C2CCCCC2)C1=O 4783817 IIKIKCKWHQOBAL-NTCAYCPXSA-N 342.395 2.880 10 40 EFCB COc1ccc(C(=O)NCc2ccc(N3CCSCC3)cc2)cn1 54035571 YLXIZSGTCYJTMI-UHFFFAOYSA-N 343.452 2.573 10 40 EFCB Cc1cccc(N2C(=O)NC(=O)/C(=C/Nc3ccc(F)cc3)C2=O)c1 4832001 SHJMMJGOMYZRCE-GDNBJRDFSA-N 339.326 2.713 10 40 EFCB Cn1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)c2ccccc21 13576034 IVMNCXYYMGVUKG-WJDWOHSUSA-N 345.358 2.845 10 40 EFCB Cc1oc2c(c1C(=O)NCc1ccccn1)C(=O)c1ccccc1C2=O 16739829 CADVOFJDKPAHRA-UHFFFAOYSA-N 346.342 2.688 10 40 EFCB O=C(Nc1ccc(O)cc1C(=O)O)c1cc([N+](=O)[O-])ccc1Cl 4822968 KDNHPXZBUFOJSC-UHFFFAOYSA-N 336.687 2.904 10 40 EFCB C[C@H]1CN(c2ccc(CNC(=O)C(F)(F)F)cc2F)C[C@H](C)O1 58228269 RQBYVIQBVBUIRT-UWVGGRQHSA-N 334.313 2.618 10 40 EFCB COc1ccc(-c2nc(COc3ccc(N)cc3)n[nH]2)cc1OC 62719616 BJYHNIUCZUHSMO-UHFFFAOYSA-N 326.356 2.650 10 40 EFCB CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1c(C)noc1C 12543901 IZQVMZIJULCVAS-UHFFFAOYSA-N 337.445 2.568 10 40 EFCB CCc1ccc2c(c1)[C@]1(NN=C(c3ccccc3O)S1)C(=O)N2 94318 POYWGBBBCJXTPN-QGZVFWFLSA-N 325.393 2.758 10 40 EFCB CCOc1cccc(N2C(=O)/C(=C\c3ccco3)C(=O)NC2=S)c1 4471594 MLDNPPVULZTXCG-UVTDQMKNSA-N 342.376 2.510 10 40 EFCB O=c1[nH]ncc(N2CC=C(c3c[nH]c4ncccc34)CC2)c1Cl 23617629 CGKBIMMLCDTARS-UHFFFAOYSA-N 327.775 2.593 10 40 EFCB COc1ccc(N2CCCN(C(=O)c3scnc3C)CC2)cc1 55878491 WAXDITMFDCGZFA-UHFFFAOYSA-N 331.441 2.813 10 40 EFCB C[C@@H](NC(=S)Nc1ccncc1)c1ccc(N2CCOCC2)cc1 225839891 HGAMQBYLBDPFSQ-CQSZACIVSA-N 342.468 2.966 10 40 EFCB CCCOC(=O)CN1C(=O)/C(=C/c2cccs2)SC1=S 1809442 UUHCJKXXPINQIG-YFHOEESVSA-N 327.452 2.903 10 40 EFCB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@H]1C[C@H]2CC[C@H]1C2 106554094 YPIBBGDMJDFKQP-LNLFQRSKSA-N 328.456 2.918 10 40 EFCB NC1=Nc2nc3ccccc3n2[C@H](c2c(O)ccc3ccccc23)N1 22241445 HKWVYIDUKDXEFK-QGZVFWFLSA-N 329.363 2.991 10 40 EFCB COc1ccc2c(c1O)CN1CCc3cc4c(cc3[C@H]1C2)OCO4 29747012 PQECCKIOFCWGRJ-OAHLLOKOSA-N 325.364 2.785 10 40 EFCB biogenic,in-vitro C[C@@H](NCc1ccccn1)c1ccc(N2CCN(C)CC2)c(F)c1 71825362 NEINQZHQAFHFKY-OAHLLOKOSA-N 328.435 2.823 10 40 EFCB CCN(C)c1ccc(CNC(=O)CCc2c(C)nn(C)c2C)cc1F 69588444 ZOAWGIUHAZBKIY-UHFFFAOYSA-N 346.450 2.881 10 40 EFCB Cc1c(O)c(CNCc2ccncc2)cc2c3c(c(=O)oc12)CCC3 5426650 VOHCJIVUPLMTBZ-UHFFFAOYSA-N 336.391 2.981 10 40 EFCB CN1C(=O)C(=Cc2cccc(Cl)c2Cl)C(=O)N(C)C1=S 408975713 LWGYVDSWOQOTDA-UHFFFAOYSA-N 329.208 2.592 10 40 EFCB CC(C)[C@@H](NC(=O)NCc1ccc(N(C)C)cc1)c1nccn1C 32932998 FVVIPAJHCMVHEH-MRXNPFEDSA-N 329.448 2.683 10 40 EFCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1c(Cl)ccc2c1OCO2 5603849 GPCHEPGJMFJNNW-WQLSENKSSA-N 342.738 2.530 10 40 EFCB O=C(NN1C(=O)/C(=C/c2ccc[nH]2)SC1=S)c1ccccc1F 5552786 DFTKABSAPDAZML-WQLSENKSSA-N 347.396 2.700 10 40 EFCB COc1ccc2c(c1OC)C(=O)O[C@@H]2CC(=O)c1ccc(O)c(O)c1 118486 WBAWUASZGVESNJ-OAHLLOKOSA-N 344.319 2.600 10 40 EFCB COc1ccc(/C=C2/C(=O)NN(c3ccc(F)c(Cl)c3)C2=O)cc1 15659690 ZPYBHSKINCMXGZ-JYRVWZFOSA-N 346.745 2.949 10 40 EFCB CCc1noc(CN(C)C2CCN(c3ccc(OC)cc3)CC2)n1 72801378 LXDQBVANOPPABJ-UHFFFAOYSA-N 330.432 2.741 10 40 EFCB COC(=O)c1sc2nc3c(c(-c4ccco4)c2c1N)CN(C)CC3 20624327 DKRUPBOPAXGDBF-UHFFFAOYSA-N 343.408 2.913 10 40 EFCB CC[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccccc2F)SC1=S 8325785 DUHKKYYBJIYIQX-VUBLIPMDSA-N 325.386 2.890 10 40 EFCB CC(=O)N[C@H](c1ccc2c(c1)OCO2)c1ccc2cccnc2c1O 444568 OSGNNLHWJCMJJM-QGZVFWFLSA-N 336.347 2.895 10 40 EFCB Oc1ccccc1C1=NC2(CCNCC2)N[C@@H](c2ccccc2O)C1 80324816 AMSCWUWRTWDEHU-MRXNPFEDSA-N 337.423 2.701 10 40 EFCB NN(/N=N/c1ccccc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 104394880 OXAWHUJHOONMIB-CCEZHUSRSA-N 347.247 2.790 10 40 EFCB Cc1nonc1/N=N/N(Cc1ccc([N+](=O)[O-])cc1)c1nonc1C 15162573 PQBYLOQYUFNKJV-XMHGGMMESA-N 344.291 2.683 10 40 EFCB CC(C)Oc1ccccc1/C=C1\SC(N2CCOCC2)=NC1=O 16786986 OGPGXBDXAMQPKR-PTNGSMBKSA-N 332.425 2.776 10 40 EFCB CCO[C@@H]1CCCN(C(=O)NCc2ccc3c(c2)CCCN3C)C1 57661136 ILMDFRUVNUEMME-QGZVFWFLSA-N 331.460 2.780 10 40 EFCB C[C@H]1CN(c2ccc(CNCc3ccc4c(c3)CCO4)cn2)CCO1 54175320 CPGKTUXJPIXPME-HNNXBMFYSA-N 339.439 2.531 10 40 EFCB COc1ccc(C)cc1NC(=O)[C@@]12CC[C@](C)(C(=O)C1=O)C2(C)C 100621835 JPUVUVPMFYUPLO-RTBURBONSA-N 329.396 2.907 10 40 EFCB c1cc(CNCc2ccc(N3CCOCC3)cc2)c2c(c1)OCO2 65475942 HDNMDCMVTOWROJ-UHFFFAOYSA-N 326.396 2.542 10 40 EFCB c1ccc(-c2n[nH]c(CNCc3ccc(N4CCOCC4)cc3)n2)cc1 75612370 XJUWQWSUVHWTEF-UHFFFAOYSA-N 349.438 2.598 10 40 EFCB O=S(=O)(Nc1ccc(O)c(Cl)c1)c1ccc2c(c1)OCO2 390834002 QGHZKMHYPFCISM-UHFFFAOYSA-N 327.745 2.575 10 40 EFCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1 63172 ULDOZMBOSYILHW-LFIBNONCSA-N 336.347 2.670 10 40 EFCB O=C(NCc1ccc(N2CCC(CO)CC2)cc1)NCC1CCCC1 58158928 WWBOGXDYWBWGGP-UHFFFAOYSA-N 345.487 2.885 10 40 EFCB CN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H]1Cc2ccccc2O1 28405453 CXZJIUSJYRNSJM-SFHVURJKSA-N 339.439 2.898 10 40 EFCB COC(=O)C1=CN(c2ccccc2OC)c2ccccc2S1(=O)=O 64979139 NRYDVMWONVZTJU-UHFFFAOYSA-N 345.376 2.635 10 40 EFCB CN1CCCc2cc(/C=C/C(=O)Nc3c4c(nn3C)CCC4)ccc21 61193308 ZYGQMQWQWMMRLH-PKNBQFBNSA-N 336.439 2.943 10 40 EFCB C[C@H](NC(=O)c1ccccc1O)c1ccc(N2CCN(C)CC2)cc1 55709765 NVZAHSLFKKAVTD-HNNXBMFYSA-N 339.439 2.635 10 40 EFCB O=C(C[C@@H]1SC(=S)NC1=O)Nc1ccccc1C(F)(F)F 34926763 CRKHVKUYGUJFBJ-QMMMGPOBSA-N 334.344 2.551 10 40 EFCB COc1ccc(/C=C2/C(=O)N(C)C(=S)N=C2O)c2ccccc12 555528 BSTFEVSULHTRRL-UKTHLTGXSA-N 326.377 2.945 10 40 EFCB COc1ncnc2c1N=C1CC(C)(C)CC(NCCC(=O)O)=C1S2 548139 RYXOLCBUUBIGCU-UHFFFAOYSA-N 348.428 2.759 10 40 EFCB Cc1ccc(N2C(=O)/C(=C/c3ccc[nH]3)C(=O)N=C2O)cc1Cl 1263544 HVEGPWZPTQMELS-KPKJPENVSA-N 329.743 2.847 10 40 EFCB CCC1(CO)CCN(C(=O)NCc2ccc(N(C)C)cc2C)CC1 95449842 OUIDVVUXVJZQAD-UHFFFAOYSA-N 333.476 2.755 10 40 EFCB O=C(NC1(N2CCCCC2)C(=O)c2ccccc2C1=O)c1ccccc1 226297520 BEVDTIDOKNFWPN-UHFFFAOYSA-N 348.402 2.678 10 40 EFCB COc1ccc(N(C)CCNC(=O)c2cccc(OC)c2OC)cc1 225049579 HOKQGWQCFKEDOH-UHFFFAOYSA-N 344.411 2.579 10 40 EFCB CCN(Cc1ccc(N(C)C)cc1)Cc1cc(=O)n2ccsc2n1 7362623 AONMGQHMWTVOKB-UHFFFAOYSA-N 342.468 2.844 10 40 EFCB CCn1c2ccccc2c2cc(C=C3C(=O)NC(=S)NC3=O)ccc21 2174817 WKQFTJMVRFLWJU-UHFFFAOYSA-N 349.415 2.729 10 40 EFCB COCCN1C(=O)/C(=C\c2ccc(OC)c(OC)c2)SC1=S 6008155 CYPCCQHTMDCTLA-UKTHLTGXSA-N 339.438 2.551 10 40 EFCB O=S(=O)(Cc1cccc(F)c1)NCCCSc1nccs1 69702034 BARQGDACDNEIRT-UHFFFAOYSA-N 346.474 2.884 10 40 EFCB COc1cccc(/C=C2/C(=O)NN(c3cccc(Cl)c3)C2=O)c1O 33281987 XVVROJGKYJFUPK-JYRVWZFOSA-N 344.754 2.516 10 40 EFCB COC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1ccccc1C(=O)O 408788740 FUXDBOFUMYCWTJ-DHDCSXOGSA-N 343.379 2.713 10 40 EFCB CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/NCc1ccccc1 100149103 HMVMHPWIBFYPOS-SFQUDFHCSA-N 336.351 2.991 10 40 EFCB O=C(C[C@H]1SC(=S)NC1=O)Nc1ccc(Cl)c(Cl)c1 34926792 ZXNAMXVAPFEUPO-MRVPVSSYSA-N 335.237 2.839 10 40 EFCB COc1ccc(N2CCN(C[C@@H](O)c3ccc(C)cc3)CC2)cc1 62005035 GTSNXUQOUDJSQR-HXUWFJFHSA-N 326.440 2.859 10 40 EFCB biogenic O=C1NN(c2ccccc2)C(=O)/C1=C\c1cccn1-c1ccccc1 33870970 RKYBPWVUCCYQMH-JXAWBTAJSA-N 329.359 2.939 10 40 EFCB CCN(CC)c1ccc(CNC(=O)N[C@@H](C)c2cnn(C)c2)cc1F 78941559 FHIDWVIJHQPDFQ-ZDUSSCGKSA-N 347.438 2.966 10 40 EFCB C[C@H](C(=O)NCc1ccc(N(C)C)cc1)n1c(=O)oc2ccccc21 12534874 KDHWDKCEIXDERL-CYBMUJFWSA-N 339.395 2.538 10 40 EFCB O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(O)cc1 14011217 OPKIDFUVRSDRPF-NTEUORMPSA-N 342.738 2.712 10 40 EFCB NC(=O)[C@@H]1CCCN(c2ccc(CNCc3cccc(F)c3)cc2)C1 54178972 IZMFPSYAYKLFDM-QGZVFWFLSA-N 341.430 2.817 10 40 EFCB COC(=O)[C@@H](C)N1C(=O)/C(=C\c2c[nH]c3ccccc23)SC1=S 27563203 FVERZTARTYKGCH-MRACZJACSA-N 346.433 2.931 10 40 EFCB CCN1CCN(c2c(Br)cc(OC)cc2[N+](=O)[O-])CC1 45886047 CIDDXIMIEHYXCJ-UHFFFAOYSA-N 344.209 2.508 10 40 EFCB CSCC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 81203092 OHHISFYPWIZJJW-LLVKDONJSA-N 330.400 2.736 10 40 EFCB O=C1N=C(O)/C(=C/NN2CCCCC2)C(=O)N1c1ccc(Cl)cc1 19996428 ZBZGRCRXOZNVQE-RAXLEYEMSA-N 348.790 2.638 10 40 EFCB CCn1ncc2c1CCC[C@@H]2NCc1ccc(N2CCOCC2)cc1 72298364 HMQZCEVLKGZANP-IBGZPJMESA-N 340.471 2.907 10 40 EFCB CCOCc1cc(CN[C@H]2CCN(C(C)=O)C[C@H]2C)ccc1OC 89987045 QCCCTVFEOYPKQO-KDOFPFPSSA-N 334.460 2.578 10 40 EFCB O=C1NN(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccccc1[N+](=O)[O-] 5583332 AAXSWXUVQSDDGX-LCYFTJDESA-N 343.726 2.710 10 40 EFCB CCCC[C@H](C(=O)O)N1C(=O)/C(=C/c2cccn2C)SC1=S 6635880 ITIMMRBHCBVKJH-ZGSOTFDTSA-N 338.454 2.870 10 40 EFCB O=C(NN1C(=O)/C(=C\c2ccco2)SC1=S)c1cccs1 409342680 CDPVGLCIINYAIA-JXMROGBWSA-N 336.419 2.887 10 40 EFCB C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)NCCCSc1nccs1 89937321 ZFGPSMCPEBWNGJ-STQMWFEESA-N 342.534 2.607 10 40 EFCB CCOC(=O)/C(=C/c1cnn(Cc2ccccc2)c1)c1nccn1C 58223672 NYVSIJNCPYLVPK-GZTJUZNOSA-N 336.395 2.769 10 40 EFCB O=S(=O)(NCCc1ccccn1)c1cc(Cl)cc(Cl)c1O 6584562 CJIHUVZANOUIBQ-UHFFFAOYSA-N 347.223 2.615 10 40 EFCB COC(=O)c1cc(/C=C2/SC(N3CCCCC3)=NC2=O)oc1C 96926596 RICMIIIRLBMNSR-UKTHLTGXSA-N 334.397 2.831 10 40 EFCB O=C1N=C(Nc2cccc(C(=O)O)c2)S/C1=C\c1ccncc1 5552068 OFSMHMOFTNDWKB-JYRVWZFOSA-N 325.349 2.862 10 40 EFCB O=C(CSc1nncc(-c2ccccc2)n1)c1ccc(O)c(O)c1 20120558 SKWHMWLQQUTSPO-UHFFFAOYSA-N 339.376 2.925 10 40 EFCB O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1cc(Cl)ccc1O 408880047 GSHJUVGNOPFNCI-UKTHLTGXSA-N 342.738 2.712 10 40 EFCB CC(=O)N[C@@H](CC(=O)NCc1ccc(N(C)C)cc1)c1cccs1 10433398 ZRHFHXVXNHRULX-INIZCTEOSA-N 345.468 2.698 10 40 EFCB O=C(O)CN1C(=O)/C(=C/c2ccc(Cl)c(F)c2)SC1=S 49391184 JGKBWOZLEXLOCC-WTKPLQERSA-N 331.777 2.765 10 40 EFCB CN1CCN([C@@H](c2ccccn2)c2ccc3cccnc3c2O)CC1 21486636 BFFBQQGTYYGIFR-LJQANCHMSA-N 334.423 2.672 10 40 EFCB CC(C)OC(=O)CN1C(=O)/C(=C/c2ccc(O)cc2)SC1=S 1276835 UOAKLJXUXYDPOV-GHXNOFRVSA-N 337.422 2.545 10 40 EFCB COC(=O)c1cccc(C(=O)NCc2ccc3c(c2)CCCN3C)c1 58769444 NASBRXHWSODQGJ-UHFFFAOYSA-N 338.407 2.786 10 40 EFCB Cc1cccc(N2C(=O)NC(=O)/C(=C\c3ccccc3O)C2=O)c1C 408899133 ZJZUOTVAHUZWNE-GXDHUFHOSA-N 336.347 2.675 10 40 EFCB CCN1CCc2cc(CN3CC[C@H](C(=O)NC4CCCC4)C3)ccc21 72344571 UZJRGPRKWHFMLL-SFHVURJKSA-N 341.499 2.950 10 40 EFCB Cc1ccc(NS(=O)(=O)c2cccc3nsnc23)c(C)c1O 47383645 ZWOCIHXSXLNHNZ-UHFFFAOYSA-N 335.410 2.815 10 40 EFCB O=C1N=C(O)/C(=C\c2ccc([N+](=O)[O-])o2)C(=O)N1c1ccc(F)cc1 2232168 PRYWRYCMZXFHEH-YRNVUSSQSA-N 345.242 2.834 10 40 EFCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccccc1OCC(=O)O 106719372 NMFQTTSOKMHAPC-LFIBNONCSA-N 336.347 2.956 10 40 EFCB Cc1cc(C(=O)NCCNC(=O)C(C)C)c(C)n1-c1ccccc1F 25539224 DSZKJCVBQNCRMX-UHFFFAOYSA-N 345.418 2.735 10 40 EFCB COc1ccc(O)c([C@@H](C)NC(=O)COc2ccc(F)cc2F)c1 65591255 NTSRYRGMRATXEH-SNVBAGLBSA-N 337.322 2.935 10 40 EFCB O=C1NC(=O)C(=Cc2ccc(-c3cccc4ccccc34)o2)C(=O)N1 3066879 HGJLCPXZLIXVHG-UHFFFAOYSA-N 332.315 2.849 10 40 EFCB O=C1NN(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc2c(c1)OCO2 5569775 ASBKQMSDFMKPKF-QPEQYQDCSA-N 342.738 2.530 10 40 EFCB CCCC(=O)N1CCC[C@@H](C(=O)N[C@H](C)c2cc(OC)ccc2O)C1 69845754 UFXQZARWUQOSCO-ZIAGYGMSSA-N 348.443 2.617 10 40 EFCB CN(C)c1ccc(/C=C2\C(=O)NN(c3ccc(Cl)cc3)C2=O)cc1 3026687 JPQVIECVGZCZEK-LFIBNONCSA-N 341.798 2.867 10 40 EFCB CCOc1cccc(/C=C2\C(=O)N(C(C)C)C(C)=C2C(=O)OC)c1O 14414411 XHDHWPLJROEXOZ-UVTDQMKNSA-N 345.395 2.872 10 40 EFCB COCn1c(C)cc(/C=C2/NC(=O)N(c3ccccc3)C2=O)c1C 17066591 PZROUFCONGWQIZ-MHWRWJLKSA-N 325.368 2.806 10 40 EFCB CN(c1ccc(CNC(=O)[C@H]2CCC(=O)NC2)cc1)C1CCCCC1 58357141 WUMWGCRTZJIYDL-INIZCTEOSA-N 343.471 2.598 10 40 EFCB O=C(CSc1nc(-c2ccccc2)n[nH]1)c1ccc(O)c(O)c1 4373918 YYQOMJCMAXSBMP-UHFFFAOYSA-N 327.365 2.858 10 40 EFCB O=C1N=C(O)/C(=C\c2c[nH]c3ccccc23)C(=O)N1C[C@H]1CCCO1 17043987 IMJCKBGLICSZHH-ZBQKXELDSA-N 339.351 2.649 10 40 EFCB CCOC(=O)CSc1ccc2c(c1N)C(=O)c1ccccc1C2=O 3845282 SFNZNUZPWWYHPR-UHFFFAOYSA-N 341.388 2.699 10 40 EFCB biogenic CCOc1ccc(S(=O)(=O)N(C)Cc2ccc(N(C)C)cc2)cc1 7146308 OPTFEWFFIVUPDK-UHFFFAOYSA-N 348.468 2.972 10 40 EFCB CC/C=C(/C)C(=O)N1CSC[C@@H]1C(=O)N(C)Cc1ccccc1O 69900737 UPCJKTDEQKOTBV-LPYTZGJOSA-N 348.468 2.608 10 40 EFCB Cn1ccc(/C=C2\SC(=S)N(CCCCCC(=O)O)C2=O)c1 35648611 AGLOTSOJSPKJMS-XFXZXTDPSA-N 338.454 2.871 10 40 EFCB Cc1ccccc1-n1c(C)cc(C(=O)CSc2nnnn2C)c1C 48345821 XDVAMKXSFYACGG-UHFFFAOYSA-N 341.440 2.901 10 40 EFCB O=C(O)CN1C(=O)/C(=C\c2ccc(OC(F)F)cc2)SC1=S 6210119 BBTCNRRNWLAFAN-WEVVVXLNSA-N 345.348 2.574 10 40 EFCB O=C(c1ccoc1)N1CCC(NCc2ccc3c(c2)CCO3)CC1 54174114 SXGIUASDSKSARI-UHFFFAOYSA-N 326.396 2.609 10 40 EFCB CC(C)C[C@@H](C(=O)O)N1C(=O)/C(=C\c2cccn2C)SC1=S 5371644 BVULSQXCOXUJCA-SERMCNLOSA-N 338.454 2.726 10 40 EFCB COc1cccc(CN2CCC(C(=O)N3CCC(C)CC3)CC2)c1O 5045792 FFQZJACGPAMTHX-UHFFFAOYSA-N 346.471 2.871 10 40 EFCB CCN1C(=O)NC(=O)/C(=C\c2cc(C)n(C3CCCC3)c2C)C1=O 479435 HRINBFSQLRLYSD-XNTDXEJSSA-N 329.400 2.702 10 40 EFCB COC(=O)[C@H](C)N1C(=O)/C(=C/c2ccc(F)cc2)SC1=S 1276885 LTAWYSYWKNOPCK-CLUBXZQOSA-N 325.386 2.588 10 40 EFCB O=C1/C(=C/c2ccc3c(c2)OCO3)SC(=S)N1C[C@H]1CCCO1 1188035 ZRZKNKDDQWCPRX-DKTFCQPKSA-N 349.433 2.796 10 40 EFCB CCCC1=NN(c2ccc(F)cc2)C(=O)/C1=C\NC[C@H]1CCCO1 102881843 CHPYWDOGDKGDCA-WMJYUBJYSA-N 331.391 2.981 10 40 EFCB COc1ccc(OC)c(C=C2C(=O)OC3(CCCCC3)OC2=O)c1 4501822 FGEDTLIDUKQMIJ-UHFFFAOYSA-N 332.352 2.848 10 40 EFCB CCOc1ccc(/N=N/c2c(=O)[nH]n3c(=O)c4c([nH]c23)CCC4)cc1 103674845 SNDRFQIDJSRMDV-FMQUCBEESA-N 339.355 2.619 10 40 EFCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(OCC(=O)O)cc1 100233048 SFOTVGLXFLCVRD-GZTJUZNOSA-N 336.347 2.956 10 40 EFCB Cc1cccc(-n2c(C)cc(C(=O)N3CCn4c(C)nnc4C3)c2C)c1 69451577 FRKFNYMZGQKNTQ-UHFFFAOYSA-N 349.438 2.958 10 40 EFCB O=C1N=C(N2CCCCC2)S/C1=C/c1ccc2c(c1)OCCO2 84451605 GGKFFVGCBXKTOO-RVDMUPIBSA-N 330.409 2.914 10 40 EFCB CCCOc1cc(N(CC)CC)ccc1/C=C1/NC(=S)NC1=O 5261272 UVCJDVJEBSYVKH-GXDHUFHOSA-N 333.457 2.667 10 40 EFCB COC(=O)/C=C/c1ccc(N2CCCO[C@H]3CCC[C@@H]32)c([N+](=O)[O-])c1 71909851 CJTPZBBMOCBMGT-OJJSLQOQSA-N 346.383 2.929 10 40 EFCB Cc1ccccc1/C=C1\SC(=S)N(CCN2CCOCC2)C1=O 12767948 LSTYBRWDYRFONL-QINSGFPZSA-N 348.493 2.528 10 40 EFCB CCOC(=O)c1c(NC(C)=O)sc2c(O)c(CN(C)C)ccc12 5316048 UTRPEHHULMGPJI-UHFFFAOYSA-N 336.413 2.804 10 40 EFCB Cc1noc(C)c1[C@@H](C)C(=O)NCc1ccc(N2CCOCC2)cc1 58426742 HNVGCRMEJWRUNM-CYBMUJFWSA-N 343.427 2.548 10 40 EFCB O=C1C[C@@H]2C(=O)c3c(c(O)c4ccccc4c3Cl)C(=O)[C@H]2[C@H](O)C1 104234407 CBVOWADHBSBAOM-QJPTWQEYSA-N 344.750 2.534 10 40 EFCB CNC(=S)NC[C@H]1CCN(c2ccc(OC(F)(F)F)cc2)C1 66011898 XGKUIHWOTFXHOH-SNVBAGLBSA-N 333.379 2.505 10 40 EFCB CCCN(Cc1ccccc1O)C(=O)[C@@H](C)NC(=O)c1ccco1 69978011 BLFULQVRKJFYGR-CYBMUJFWSA-N 330.384 2.542 10 40 EFCB CCN1C(=O)C(=Cc2c(F)cccc2Cl)C(=O)N(CC)C1=S 16681446 PFDGSZUJGUJCLP-UHFFFAOYSA-N 340.807 2.858 10 40 EFCB Cc1ccc(/C=C2/C(=N)N3N=C(N4CCCCC4)SC3=NC2=O)o1 41084805 TWOQHRUBCDNWFI-NAXSCAEVSA-N 343.412 2.651 10 40 EFCB O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@@H]1CCCO1 81203091 ACQOCPCMWOYUQQ-DOMZBBRYSA-N 340.370 2.552 10 40 EFCB COCCCN1C(=O)/C(=C\c2cccc(C)c2)C(C(=O)OC)=C1C 14414407 ONVMZMHRTHBXMO-VBKFSLOCSA-N 329.396 2.704 10 40 EFCB N=C1/C(=C\c2ccc(O)c(O)c2)C(=O)N=C2Sc3ccccc3N12 13814641 WAZZBWJZFXPQDM-YEPPPEKYSA-N 337.360 2.967 10 40 EFCB COCCN1C(=O)[C@@H](Cc2ccc(SC)cc2)SC1=S 8104730 RVTLJRPXAWZBFS-GFCCVEGCSA-N 327.496 2.826 10 40 EFCB CC(C)Oc1ccc(/C=C2/SC(=S)N(CC(=O)O)C2=O)cc1 59254481 MUGJOIQHYVYGAZ-KPKJPENVSA-N 337.422 2.760 10 40 EFCB CC[C@H](C(=O)O)N1C(=O)/C(=C\c2ccccc2F)SC1=S 27530429 DUHKKYYBJIYIQX-UEUZTHOGSA-N 325.386 2.890 10 40 EFCB Cc1c(/C=C2/SC(=S)N(CC(=O)O)C2=O)c2ccccc2n1C 3633426 XUQRWHIGPYDBHP-NTUHNPAUSA-N 346.433 2.773 10 40 EFCB COc1ccc(N2CCN(C[C@H](O)c3ccccc3F)CC2)cc1 75608184 JFRMFHPZXCPPCA-IBGZPJMESA-N 330.403 2.690 10 40 EFCB COc1ccc(/C=C2/SC(=S)N(CCCC(=O)O)C2=O)cc1 2237553 WNSXQGARFJFRDC-FMIVXFBMSA-N 337.422 2.761 10 40 EFCB COc1ccc2occ(/C=C3\SC(=S)N(C)C3=O)c(=O)c2c1 2221835 QNCLPYCZRGGDQH-XGICHPGQSA-N 333.390 2.633 10 40 EFCB Cc1sc(NS(=O)(=O)c2ccc(Cl)cc2)c(C(N)=O)c1C 27931354 XEOBQNHDVUIYFH-UHFFFAOYSA-N 344.845 2.918 10 40 EFCB CC1(C)[C@H](Cc2cc(CCO)on2)C[C@@H]1NCc1ccccc1O 67889762 DPDTWMQYXFFDIR-KDOFPFPSSA-N 330.428 2.662 10 40 EFCB biogenic,in-vitro CCN1C(=O)C(=C/C=C\c2ccc(OC)cc2)C(=O)N(CC)C1=S 31871484 PHGMWCUOGNZRHU-SREVYHEPSA-N 344.436 2.630 10 40 EFCB C/C(=C\CC1C(=O)N(c2ccccc2)N(c2ccccc2)C1=O)CO 16942132 MOKPRIJKDCGLKJ-NTCAYCPXSA-N 336.391 2.926 10 40 EFCB CN1c2ccccc2C(=O)N[C@H]1c1cc(O)cc(Br)c1O 77472045 ZDRFLVDEXALWLB-CQSZACIVSA-N 349.184 2.739 10 40 EFCB CCCOc1ccc(/C=C2\SC(NC(C)=O)=NC2=O)cc1OC 409027095 YLFKPZFRFUSUHB-ZROIWOOFSA-N 334.397 2.590 10 40 EFCB O=C1NN(c2cccc(Br)c2)C(=O)/C1=C\c1ccco1 4498988 GFLXLVDAIXVTLX-WQLSENKSSA-N 333.141 2.504 10 40 EFCB COC(=O)CC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)NC(C)(C)C 4736894 FRTAKQNMPOADCL-WJDWOHSUSA-N 347.390 2.754 10 40 EFCB CCCN1C(=O)/C(=C\c2cc(OC)ccc2OC)C(C(=O)OC)=C1C 574461 UCRUITAIHRKHLB-PTNGSMBKSA-N 345.395 2.786 10 40 EFCB COc1ccc(O)c(CNC(=O)CCC(=O)c2ccc(C)cc2)c1 78726266 PAZPROWUBFSGQJ-UHFFFAOYSA-N 327.380 2.989 10 40 EFCB COc1ccc(/N=N\[C@@H]2C(=O)N(C(=O)c3ccncc3)N=C2C)cc1 104204146 USMQMOHXACCYKA-DNTCVELPSA-N 337.339 2.601 10 40 EFCB Cn1cc(/C=C2/SC(=S)N(c3ccc(C(=O)O)cc3)C2=O)cn1 96855700 VCPFVGRGXLYMJJ-WUXMJOGZSA-N 345.405 2.524 10 40 EFCB O=C1NC(=O)N(c2ccccc2F)C(=O)/C1=C/C=C/c1ccco1 503516 FQXKONSZZGCYKY-PPRDQHCASA-N 326.283 2.641 10 40 EFCB Cc1cc(NC(=O)CSc2nc3cc(Cl)ccc3[nH]2)n(C)n1 9115370 UYFPTWVVHDBREA-UHFFFAOYSA-N 335.820 2.989 10 40 EFCB CC(=O)N/C=C1\C(=O)N(c2ccc(Br)cc2C)N=C1C 408537304 ZWOUCNVTNSOPJH-GHXNOFRVSA-N 336.189 2.500 10 40 EFCB CN1CCC[C@@H](CNCc2ccc3c(c2)CCO3)[C@@H]1c1cncn1C 583616622 RRBJFBFOVCWYOX-FXAWDEMLSA-N 340.471 2.528 10 40 EFCB O=C(O)CSC1=N[C@H](c2ccccc2O)C[C@@H](C(F)(F)F)N1 12844504 LXCZXNINECDTTR-WPRPVWTQSA-N 334.319 2.531 10 40 EFCB CCN1C(=O)C(=C/C=C/c2ccc(OC)cc2)C(=O)N(CC)C1=S 1649919 PHGMWCUOGNZRHU-VOTSOKGWSA-N 344.436 2.630 10 40 EFCB CCS(CC)=C1C(=O)NC(=O)N(c2cccc3ccccc23)C1=O 12436919 BFPGNLVICMDSCJ-UHFFFAOYSA-N 342.420 2.904 10 40 EFCB COc1ccc(/C=C2/SC(N3C[C@H](C)O[C@H](C)C3)=NC2=O)cc1 5696358 GULVJNCDTBRYTP-CTNOEMEISA-N 332.425 2.775 10 40 EFCB Cc1cc(N2CCOCC2)ccc1CN1C[C@@H]2CCCN2C[C@@H]1C 72324552 AZCWKAKLOGJEEH-PXNSSMCTSA-N 329.488 2.500 10 40 EFCB CC(C)C[C@H](C(=O)O)N1C(=O)/C(=C/c2cccn2C)SC1=S 6563850 BVULSQXCOXUJCA-HQQGHWSLSA-N 338.454 2.726 10 40 EFCB C[C@H]1CN(CN2C(=O)/C(=C/c3ccco3)SC2=S)C[C@H](C)O1 28632632 FMCGIARIWDEUSB-LBPWLNMHSA-N 338.454 2.548 10 40 EFCB COc1ccccc1CNCc1ccc(N2CCC(O)CC2)cc1 76275589 HYXRFKSOYHCUMU-UHFFFAOYSA-N 326.440 2.946 10 40 EFCB O=C1N[C@H](c2ccccc2)C12CCN(c1ccc3c(c1)OCO3)CC2 306143531 YETJWPZVBRVHPS-GOSISDBHSA-N 336.391 2.873 10 40 EFCB O=C1N=C(N2CCCCC2)S/C1=C/c1cn(-c2ccccc2)nn1 71793596 HEPIHSLCIFERAM-RVDMUPIBSA-N 339.424 2.724 10 40 EFCB Cc1cc2oc(=O)c3c(c2c(O)c1CN1CCOCC1)CCCC3 33848891 BCQLHFVQWGYQHJ-UHFFFAOYSA-N 329.396 2.518 10 40 EFCB COC(=O)CC1=NN(c2ccccc2)C(=O)/C1=C\NCc1ccccc1 101452059 SFYWKTOULYNZKJ-VKAVYKQESA-N 349.390 2.626 10 40 EFCB NC(=O)C1CCN(C2=NC(=O)/C(=C\c3cccc(Cl)c3)S2)CC1 1164572 GOMAJQOKCURGFK-UKTHLTGXSA-N 349.843 2.508 10 40 EFCB Cc1cc(O)c(CN2CCN(c3ncccn3)CC2)cc1C(C)C 22227437 KWGQPGYINJZKLJ-UHFFFAOYSA-N 326.444 2.936 10 40 EFCB O=C1NC(=S)S/C1=C/c1ccc2c(c1Br)OCO2 1001688 FGWZMFUUWHTTLC-XVNBXDOJSA-N 344.211 2.667 10 40 EFCB Oc1cc2c(cc1[C@H](c1ccc3c(c1)OCO3)n1ccnc1)OCO2 5606473 SADZUGZPRKRGTC-SFHVURJKSA-N 338.319 2.684 10 40 EFCB in-vivo COC(=O)CC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)NCC(C)C 17072251 MIWARCBMWWJLRP-ATVHPVEESA-N 347.390 2.611 10 40 EFCB CCN(CC)c1ccc([C@H]2C(C(=O)OC)=C(C)Nc3ncnn32)cc1 2700273 QYSQYJDRHIJXLH-INIZCTEOSA-N 341.415 2.586 10 40 EFCB CS[C@H](C)CC(=O)N[C@@H](C)c1ccc(N2CCN(C)CC2)cc1 97021857 MJKUIZKJTOBVQP-CABCVRRESA-N 335.517 2.757 10 40 EFCB Cc1cnc(CCN(C)Cc2cc(=O)oc3cc(O)c(O)cc23)s1 97135220 FCLUIPOJTKOZFD-UHFFFAOYSA-N 346.408 2.644 10 40 EFCB Nc1nc(N)c(/N=N\c2cc(Cl)c([N+](=O)[O-])cc2Cl)c(O)n1 104125366 OZBZJNRHFUTNBM-ZCXUNETKSA-N 344.118 2.977 10 40 EFCB CCCN1C(=O)N/C(=C/c2ccc(N3CCCC3)cc2OC)C1=O 409235590 CKIXERUPHOQXGQ-RVDMUPIBSA-N 329.400 2.598 10 40 EFCB CC(C)OC(=O)CN1C(=O)/C(=C\c2cccs2)SC1=S 4483114 GXBHQDNZAMWFSP-UXBLZVDNSA-N 327.452 2.901 10 40 EFCB O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C/Nc1ccc(F)cc1 16400483 PQNINNHVZCQCNQ-NTEUORMPSA-N 343.289 2.544 10 40 EFCB CC(C)OC(=O)CN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S 1276521 LHSNYANCLWKYJW-GHXNOFRVSA-N 339.413 2.979 10 40 EFCB Cc1ccc(O)c([C@H](c2ccc3c(c2)OCO3)N2CCOCC2)c1 19909767 IIYRPJXLNWSQNX-IBGZPJMESA-N 327.380 2.851 10 40 EFCB O=C(O)CCCCCN1C(=O)/C(=C/c2ccncc2)SC1=S 1766388 SJPNONWUANTENW-BENRWUELSA-N 336.438 2.928 10 40 EFCB O=C(O)CN1C(=O)/C(=C/c2cccc3cccnc23)SC1=S 6660270 MLGRHRCYMBBGEM-XFFZJAGNSA-N 330.390 2.521 10 40 EFCB COC(=O)C1=C(C)N(C[C@H]2CCCO2)C(=O)/C1=C\c1sccc1C 408996395 DKBFBRNSHKBPHU-CKXDQPNJSA-N 347.436 2.908 10 40 EFCB N=C1/C(=C/c2cccs2)C(=O)N=C2SC(C(F)(F)F)=NN12 110403 OAGMNZMIPKQVRY-JYXXCXAHSA-N 330.316 2.930 10 40 EFCB CC(C)(C)OC(=O)N1CCN(Cc2c(O)ccc3ccncc23)CC1 12776324 UVIDFXPLAZOCHI-UHFFFAOYSA-N 343.427 2.993 10 40 EFCB COc1ccc(N2C(=O)/C(=C/c3cccn3C)C(O)=NC2=S)cc1 1297714 RQBAEMOPAPRGNU-GXDHUFHOSA-N 341.392 2.705 10 40 EFCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3O)C2=O)cc1C 408780900 MUVFJOZXRPZRBX-XNTDXEJSSA-N 336.347 2.675 10 40 EFCB CC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccccc2F)SC1=S 4357041 DUHKKYYBJIYIQX-QBQSQJOESA-N 325.386 2.890 10 40 EFCB O=C(NCCCSc1nccs1)c1cc2c([nH]c1=O)CCCC2 79310581 VXIHQJMFMQZCBU-UHFFFAOYSA-N 349.481 2.622 10 40 EFCB CC[C@@H](C)OC(=O)CN1C(=O)/C(=C/c2ccco2)SC1=S 1239033 AXVFXPWCWNZYOE-MDXIRLPMSA-N 325.411 2.823 10 40 EFCB COCCOC(=O)c1c2c(n3ccccc13)C(=O)c1ccccc1C2=O 2694682 WRYNDYVAOHNQGE-UHFFFAOYSA-N 349.342 2.518 10 40 EFCB biogenic COc1ccc(N2CCN(C(=O)c3cc4occc4n3C)CC2)cc1 36353450 NBFPIGFWKNQIFL-UHFFFAOYSA-N 339.395 2.742 10 40 EFCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(Cl)c([N+](=O)[O-])c1 409401748 ZONRCDYUDVWGKB-WQLSENKSSA-N 343.726 2.710 10 40 EFCB CC1=NN(C(=O)c2ccncc2)C(=O)[C@H]1/N=N/c1ccc(F)cc1 59364670 GKQWVBRPLBCQTM-YISVQYQQSA-N 325.303 2.732 10 40 EFCB O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/Nc1ccccc1Cl 6557735 KIIMZUPWJKSRPZ-ZRDIBKRKSA-N 341.754 2.919 10 40 EFCB Cc1nn(C)c(C)c1/C=C/C(=O)NCCCSc1nccs1 74135854 JPHUGMLZJAEIMQ-AATRIKPKSA-N 336.486 2.805 10 40 EFCB CCCC[C@@H](NCc1c(O)ccc2c3c(c(=O)oc12)CCC3)C(=O)O 1891580 DLDKOKSGPLDRRT-OAHLLOKOSA-N 345.395 2.720 10 40 EFCB CC(=O)NC1(C(=O)NCc2ccc3c(c2)CCCN3C)CCCCC1 58769821 KSZKWUUSPZULHY-UHFFFAOYSA-N 343.471 2.524 10 40 EFCB CN(Cc1ccc2c(c1)OCCO2)Cc1cc2c(cc1O)OCO2 8718489 OIBPARHVNARCCP-UHFFFAOYSA-N 329.352 2.524 10 40 EFCB CCn1c(C)cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)c1C 409098444 OWOPGFDNUAFMNX-LFIBNONCSA-N 337.379 2.791 10 40 EFCB COc1cccc(CN2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)c1O 5676840 PHVJWTPDIDESGE-OAHLLOKOSA-N 346.471 2.871 10 40 EFCB O=[N+]([O-])c1ccc(/N=N/S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 100838097 GLJPWJUWKOVMLA-BUHFOSPRSA-N 336.285 2.976 10 40 EFCB Cc1cc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)no1 69435683 IWRBUYOYPGADRY-KRWDZBQOSA-N 343.427 2.870 10 40 EFCB CC[C@H](NC(=O)CCn1c(=O)oc2ccccc21)c1ccccc1O 69698209 BZHKWOFFAMOMGK-AWEZNQCLSA-N 340.379 2.958 10 40 EFCB COc1ccc(N2C[C@@](O)(c3cccs3)[N+]3=C2SCCC3)cc1 22405146 BZNQKHYZXSRKMC-QGZVFWFLSA-N 347.485 2.927 10 40 EFCB CN(c1ccc(CNC(=O)c2ccc(O)nn2)cc1)C1CCCCC1 58316817 BDWXEPXEQTZXOE-UHFFFAOYSA-N 340.427 2.881 10 40 EFCB Cc1ccsc1C(=O)NCc1ccc(N2CCNCC2)c(F)c1 95427896 JLKKAAKDKHSWKK-UHFFFAOYSA-N 333.432 2.535 10 40 EFCB Cc1cc(O)ccc1NS(=O)(=O)c1ccc(F)c([N+](=O)[O-])c1 226862570 ZOJCHCKFHPFHEC-UHFFFAOYSA-N 326.305 2.549 10 40 EFCB COC(=O)CN1C(=O)/C(=C/c2ccccc2Cl)SC1=S 1237719 GSNVSWBARCVPCS-POHAHGRESA-N 327.814 2.714 10 40 EFCB CCOc1cc(/C=C2/C(=N)N3N=C(CC)SC3=NC2=O)ccc1O 20023592 VXPKADJDBIUHBH-YNRPYRRHSA-N 344.396 2.820 10 40 EFCB O=C1N=C(O)/C(=C\NCc2cccnc2)C(=O)N1C1CCCCCC1 1275085 XQMKLBLSIYVMEB-NTCAYCPXSA-N 342.399 2.697 10 40 EFCB COc1cc(SC)ccc1C(=O)NCc1cc([N+](=O)[O-])ccc1O 35267985 QXAZMRHSMNITAN-UHFFFAOYSA-N 348.380 2.961 10 40 EFCB CCOC(=O)N1CCC(NC(=O)/C=C/c2ccc(N(C)C)cc2)CC1 29200294 IHWPUZILNJWLQQ-JXMROGBWSA-N 345.443 2.503 10 40 EFCB O=S(=O)(Nc1cc(F)cc(F)c1)c1cccc2nsnc12 19078860 RMIUCLYRMIOXIH-UHFFFAOYSA-N 327.337 2.770 10 40 EFCB Cc1ccc(/C=C2\C(=N)N3N=C(c4cccnc4)SC3=NC2=O)o1 5255187 DYNKOLLKQAHFOV-RMPAWCBFSA-N 337.364 2.650 10 40 EFCB CN1CCCc2cc(CN3CC[C@H](C(=O)NC4CCCC4)C3)ccc21 72344568 DLIMPZBYUUAHLE-SFHVURJKSA-N 341.499 2.950 10 40 EFCB CCOc1ccc(-n2c(C)cc(/C=C3\NC(=O)NC3=O)c2C)cc1 408819371 RPFQXTTUQRAJJZ-YBEGLDIGSA-N 325.368 2.673 10 40 EFCB O=C(NN1C(=O)/C(=C\c2ccncc2)SC1=S)c1ccccc1 5856945 IKOKQTPEIHBXGI-JLHYYAGUSA-N 341.417 2.628 10 40 EFCB O=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)c1ccc(O)c(O)c1 22983269 JCGVXXMXFRFDFL-UHFFFAOYSA-N 347.676 2.815 10 40 EFCB CCOC(=O)c1cnc2c(/N=N/c3ccc(C)cc3)c(=O)[nH]n2c1N 97944944 JVBOOIFNBUDJFO-FMQUCBEESA-N 340.343 2.505 10 40 EFCB CN1CCc2cc([C@H](CNC(=O)c3ccco3)N3CCCC3)ccc21 8963310 NQSIWECAWPYDBO-SFHVURJKSA-N 339.439 2.839 10 40 EFCB CCCOc1ccccc1/C=C1/SC(N2CCN(C)CC2)=NC1=O 23109630 PWJKDMAYQLZHAR-DTQAZKPQSA-N 345.468 2.693 10 40 EFCB COC(=O)C1=C(C)N(C(C)C)C(=O)/C1=C\c1cc(OC)ccc1OC 59959472 YBMPPLWDLNPKHD-GDNBJRDFSA-N 345.395 2.785 10 40 EFCB CCOC(=O)CCN1C(=O)/C(=C\c2ccccc2F)SC1=S 27530567 XLWLFSSCZYJCSA-FMIVXFBMSA-N 339.413 2.980 10 40 EFCB Cc1n[nH]cc1CNCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 71819616 CMPQOCYJEOXQHU-CHWSQXEVSA-N 332.423 2.761 10 40 EFCB Cc1ccc(CCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)o1 81854332 CZJDWVZSLXEDRH-UHFFFAOYSA-N 346.402 2.813 10 40 EFCB C[C@@H](NC(=O)NCc1ccco1)c1ccc(N2CCOCC2)cc1 68462726 KOAJGJUTIOWMEF-CQSZACIVSA-N 329.400 2.677 10 40 EFCB Cc1cccc(N2C(=O)/C(=C/c3ccco3)C(=O)NC2=S)c1C 409130100 UAGPZBWIUYNTET-UKTHLTGXSA-N 326.377 2.728 10 40 EFCB CN1CCN(c2ccc(CNC(=S)Nc3ccccc3)cc2)CC1 78578714 PVTVJVFHXVDIGR-UHFFFAOYSA-N 340.496 2.925 10 40 EFCB O=C(O)C1=C[C@@H](c2ccccc2O)n2nc(-c3ccccc3)nc2N1 102335821 CGSIDVFVAIWHBZ-AWEZNQCLSA-N 334.335 2.634 10 40 EFCB COc1ccc(N2CCN(C[C@@H](O)c3ccc(F)c(F)c3)CC2)cc1 51092673 NNSMOFDVUTYDLB-LJQANCHMSA-N 348.393 2.829 10 40 EFCB O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C/C=C/c1ccco1 503787 WYKDCNUTBNAHLE-GSPDUGTFSA-N 326.283 2.641 10 40 EFCB Cc1c(C)c(O)c(CN2CCN(c3ccncc3)CC2)c(C)c1O 65621817 OABAGFOPJBUBJF-UHFFFAOYSA-N 327.428 2.740 10 40 EFCB CSCC[C@H](C)N(C)CC(=O)NCc1ccc(N2CCCC2)cc1 72290434 VCXJLKFELYZESA-INIZCTEOSA-N 349.544 2.976 10 40 EFCB Cc1cccc(C)c1C(=O)Nc1cccc(N2CCO[C@H](CO)C2)c1 585087440 IFVHHFFHRAMLCD-SFHVURJKSA-N 340.423 2.753 10 40 EFCB O=C1NC(=O)/C(=C/c2ccc(-c3ccc(O)c(C(=O)O)c3)o2)S1 15659798 SXAUTKUIIXFACR-SDQBBNPISA-N 331.305 2.674 10 40 EFCB O=C1NC(=S)S/C1=C/c1cccn1-c1cccc(C(=O)O)c1 4674127 TWEFHBAESRBJMB-XYOKQWHBSA-N 330.390 2.664 10 40 EFCB COCCN1C(=O)/C(=C\c2ccccc2Cl)C(C(=O)OC)=C1C 4703007 KDGVKVNCALYLSM-RAXLEYEMSA-N 335.787 2.659 10 40 EFCB O=C1NC(=O)C(=Cc2ccccc2Cc2ccccc2Cl)C(=O)N1 408869925 TVPUYCSHYKQXRU-UHFFFAOYSA-N 340.766 2.680 10 40 EFCB CCOC(=O)[C@@H](C)N1C(=O)S/C(=C\c2ccc(N(C)C)cc2)C1=O 981302 BBZIRHNYGULORJ-UXEDPAHQSA-N 348.424 2.741 10 40 EFCB COc1ccc(NC(=O)[C@]23CC[C@](C)(C(=O)C2=O)C3(C)C)c(OC)c1 6701272 QVEVHQCZVPQXSZ-MOPGFXCFSA-N 345.395 2.607 10 40 EFCB COc1ccc(O)c([C@H](C)NC(=O)[C@H](C)Cc2c(C)n[nH]c2C)c1 95445903 VSDOGJSVXDNFOK-MNOVXSKESA-N 331.416 2.797 10 40 EFCB COC(=O)/C=C/c1ccc(N2Cc3c[nH]nc3[C@H](C)C2)c([N+](=O)[O-])c1 585134911 OZYLZCZHUPMOST-DUMNWFOQSA-N 342.355 2.628 10 40 EFCB O=C(O)CN1C(=O)/C(=C/c2ccc3ncccc3c2)SC1=S 6660399 ZQCDUZXOBPAIBF-GHXNOFRVSA-N 330.390 2.521 10 40 EFCB CN(C)c1ccc(/C=C2/N=C(c3ccc4c(c3)OCO4)OC2=O)cc1 2891557 WOYBLKJYHGFCGB-OQLLNIDSSA-N 336.347 2.826 10 40 EFCB O=C(O)CCN1C(=O)/C(=C/c2ccnc3ccccc23)SC1=S 6660796 WVIJHGMNWPXQRV-LCYFTJDESA-N 344.417 2.911 10 40 EFCB CC(=O)OCc1ccc(/C=C2\SC(=S)N(C(C)C)C2=O)o1 3288721 BRQWRCCZDGVVCD-SDQBBNPISA-N 325.411 2.952 10 40 EFCB CC(=O)Nc1ccc(O)c(CN2CCN(c3ccccc3)CC2)c1 1562756 QUKJEHJRISSJIB-UHFFFAOYSA-N 325.412 2.673 10 40 EFCB O=[N+]([O-])c1ccc2c(c1)[n+]([O-])c1c([n+]2[O-])-c2cccc3cccc-1c23 4758322 IOUOHKMQLBKRIY-UHFFFAOYSA-N 331.287 2.815 10 40 EFCB CCN(CC)c1ccc(CNC(=O)NC2CCC(O)CC2)cc1F 66927020 LIGZKOKTHKJTIA-UHFFFAOYSA-N 337.439 2.775 10 40 EFCB C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ncccc1C(F)(F)F 97098166 CFWJAHDHIFSEOF-VIFPVBQESA-N 340.301 2.873 10 40 EFCB COc1ccc(N2CCC(N(C)C(=O)c3cccnc3)CC2)cc1 69379720 MZJNLDOOFJCROQ-UHFFFAOYSA-N 325.412 2.831 10 40 EFCB COc1ccc(N2CCN(C(=O)c3cn(C)nc3C(C)C)CC2)cc1 65522988 GSSZXYDSZQTOKJ-UHFFFAOYSA-N 342.443 2.515 10 40 EFCB C[C@@H]1Oc2ccccc2C=C1/C=C1\SC(=S)N(CCO)C1=O 98086545 SNBNMNKXZNZUNT-ADVUTCEVSA-N 333.434 2.587 10 40 EFCB CN(C)c1ccc(CNC(=O)Cc2noc3ccccc23)cc1F 58731707 JYPPARPWHMLWGE-UHFFFAOYSA-N 327.359 2.892 10 40 EFCB O=C1NC(=O)N(c2cccc(F)c2)C(=O)/C1=C/c1ccccc1F 408907982 ABKSGQHOJSNLSY-MDWZMJQESA-N 328.274 2.631 10 40 EFCB CC(=O)c1ccc(NC(=O)[C@]23CC[C@](C)(C(=O)C2=O)C3(C)C)cc1 1816061 LDRQHUHRFVKVIS-MOPGFXCFSA-N 327.380 2.792 10 40 EFCB COc1ccc(N2CCC(NC(=O)NCc3cccnc3)CC2)cc1 69596089 HBTWTRHVJMWFPH-UHFFFAOYSA-N 340.427 2.558 10 40 EFCB NC(=O)c1cccc(CCNCc2cc(Br)ccc2O)c1 72275605 KZCZBINFZXDUCP-UHFFFAOYSA-N 349.228 2.586 10 40 EFCB O=C1c2ccccc2C(=O)c2c1ccc1c(=O)n(Cc3ccco3)[nH]c21 4862967 DPRZZRLVHGZKFP-UHFFFAOYSA-N 344.326 2.746 10 40 EFCB O=C1c2ccccc2N[C@H](c2ccc(O)c(O)c2)N1C[C@H]1CCCO1 8780470 IOSPCTOFZAANEG-ACJLOTCBSA-N 340.379 2.843 10 40 EFCB Cc1ccc(/C=C2/C(=N)N3N=C(c4cccnc4)SC3=NC2=O)o1 41084246 DYNKOLLKQAHFOV-FOVKKDFOSA-N 337.364 2.650 10 40 EFCB CN(C)c1ccc(CN(CC(F)(F)F)C(=O)c2ccn(C)n2)cc1 584906695 STEMGLUCJZOLDH-UHFFFAOYSA-N 340.349 2.691 10 40 EFCB O=C(O)CN1C(=O)/C(=C\c2ccnc3ccccc23)SC1=S 1601174 JSOGWGYVQYGXMT-KPKJPENVSA-N 330.390 2.521 10 40 EFCB CC[C@@H](C(=O)O)N1C(=O)/C(=C/c2cccc(F)c2)SC1=S 1295193 IQJOXURVVVYNKG-QBQSQJOESA-N 325.386 2.890 10 40 EFCB C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)C=[N+]=[N-] 104841064 MGOXETIYWQKLEA-LBPRGKRZSA-N 335.363 2.783 10 40 EFCB CCN1CCN(C2=NC(=O)/C(=C/c3ccc(Cl)cc3)S2)CC1 19842465 LXUPTIFZAMWLKQ-KAMYIIQDSA-N 335.860 2.948 10 40 EFCB COc1ccc(N(C)CC(=O)N2CCc3sccc3C2)cc1OC 58224868 FTJRNWQXSHHKHX-UHFFFAOYSA-N 346.452 2.786 10 40 EFCB COC(=O)c1ccccc1NCc1cc(=O)oc2cc(O)c(O)cc12 2112562 CKECVQYXPRUTPM-UHFFFAOYSA-N 341.319 2.603 10 40 EFCB biogenic C[C@H](NC(=O)N(C)Cc1ccccc1O)c1ccc2c(c1)CC(=O)N2 47155060 MULGWMIDTWCTCR-LBPRGKRZSA-N 339.395 2.789 10 40 EFCB Cc1sc(NS(=O)(=O)c2ccc(F)c(F)c2)c(C(N)=O)c1C 71913790 WXODBGMZCXUAFH-UHFFFAOYSA-N 346.380 2.543 10 40 EFCB COc1ccc(N2CCN(c3ccc(OC)cc3)C2[C@@H]2CO2)cc1 4830909 NDVAOMOVPRXVFR-SFHVURJKSA-N 326.396 2.755 10 40 EFCB CCCCN(C)C(=O)C1CCN(Cc2cccc(OC)c2O)CC1 6397447 DNKQQCFHHHZEQJ-UHFFFAOYSA-N 334.460 2.871 10 40 EFCB COc1ccc(N2CCC(NC(=O)CCOCC(C)C)CC2)cc1 69563546 HRNOGHCBBNWMBJ-UHFFFAOYSA-N 334.460 2.843 10 40 EFCB CCOC(=O)c1oc2c(O)c(O)ccc2c(=O)c1-c1csc(C)n1 26571628 UPVQQNOGZUQPST-UHFFFAOYSA-N 347.348 2.813 10 40 EFCB O=C(CSc1nccs1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 52914114 VOALOSUMLNGVOH-UHFFFAOYSA-N 339.354 2.511 10 40 EFCB COc1cc(Cl)c(C)cc1NC(=O)C[C@@H]1SC(=S)NC1=O 34926819 GJCSAJZBSXTSNV-JTQLQIEISA-N 344.845 2.502 10 40 EFCB CC[C@H]1SC(=S)N(CCc2ccc(OC)c(OC)c2)C1=O 3615836 QWHCKXMMUNILEB-CYBMUJFWSA-N 325.455 2.885 10 40 EFCB COC(=O)Cn1cc(/C=C2\SC(=S)N(C)C2=O)c2ccccc21 409124710 BKRXKWBBCLIIHJ-QPEQYQDCSA-N 346.433 2.645 10 40 EFCB COc1ccc([C@H](O)CN2CCN(c3ccc(OC)cc3)CC2)cc1 62005033 HBLGUORAKVBALI-HXUWFJFHSA-N 342.439 2.559 10 40 EFCB O=[N+]([O-])c1ccc(O)c(CNCc2cccnc2N2CCCCC2)c1 78394164 GNJDEIFJKJROGH-UHFFFAOYSA-N 342.399 2.976 10 40 EFCB O=C1CCCN1c1ccc(NC(=S)NCc2ccccn2)cc1 225330118 VQNMOUKVGXTYPW-UHFFFAOYSA-N 326.425 2.695 10 40 EFCB CCOc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)ccc1OC 41078365 AIUSWKQKWGEGBG-YSRXZBSRSA-N 327.340 2.544 10 40 EFCB COCCn1c(-c2ccccc2)cnc1SCC(=O)N1CCCC1 44085833 GATMYRJZEJKVKQ-UHFFFAOYSA-N 345.468 2.911 10 40 EFCB Cc1ccc(NC(=O)C(=O)NCc2ccc(N(C)C)cc2C)c(F)c1 96407047 NUYIWNMYFMAFSX-UHFFFAOYSA-N 343.402 2.763 10 40 EFCB CCNc1nc(NCC)n2c(SCc3ccc(C)cc3)nnc2n1 4570505 GXDJMCZTIPDUQZ-UHFFFAOYSA-N 343.460 2.984 10 40 EFCB COc1ccc(C)cc1NC(=O)[C@]12CC[C@](C)(C(=O)C1=O)C2(C)C 1805587 JPUVUVPMFYUPLO-MOPGFXCFSA-N 329.396 2.907 10 40 EFCB CN1C(=O)C(=Cc2ccc(-c3ccc(F)cc3)o2)C(=O)N(C)C1=O 4523662 IORZAAHHPIVDBB-UHFFFAOYSA-N 328.299 2.520 10 40 EFCB Cc1ccc(/N=c2\scc(-c3ccc(O)c(O)c3O)n2C)nc1 101718622 IJDUTGKTKPOFSW-VLGSPTGOSA-N 329.381 2.806 10 40 EFCB Cc1ccc(NC(=O)c2cc(NS(C)(=O)=O)ccc2O)cc1C 55106033 OPQSXJBBBKXYAX-UHFFFAOYSA-N 334.397 2.633 10 40 EFCB C[C@H](NC(=O)NC1(C)CCC1)c1ccc(N2CCN(C)CC2)cc1 96484555 PCITXIGGOXJFOS-HNNXBMFYSA-N 330.476 2.741 10 40 EFCB O=C(NN1C(=O)/C(=C\c2cccnc2)SC1=S)c1cccs1 409332212 PVUMMXDYVWUWPV-YRNVUSSQSA-N 347.446 2.689 10 40 EFCB O=C(O)CCCN1C(=O)/C(=C/c2nc3ccccc3[nH]2)SC1=S 2329864 CPHGTNVMIRPEQT-FLIBITNWSA-N 347.421 2.629 10 40 EFCB CCCCNC(=O)C1CCN(Cc2cccc(OCC)c2O)CC1 179330375 SFAZTLAZGUPVRV-UHFFFAOYSA-N 334.460 2.919 10 40 EFCB CCN1CCN(c2ccc(CNC(=O)N(CC)CC)cc2F)CC1 78605563 TYRNIBPALMFPRV-UHFFFAOYSA-N 336.455 2.519 10 40 EFCB O=c1[nH]n2c(=O)c3c([nH]c2c1/N=N/c1cccc(Cl)c1)CCC3 96318744 QXEIKYKOOSHBSW-VHEBQXMUSA-N 329.747 2.873 10 40 EFCB CCN1C(=O)S/C(=C/c2ccc(N3CCOCC3)cc2C)C1=O 5781466 INDDLKMOXVTJBT-RVDMUPIBSA-N 332.425 2.888 10 40 EFCB COc1ccc(/C=C2\C(=N)N3N=C(C(C)C)SC3=NC2=O)cc1 23402468 JVFOKYXJCZKUPE-NLFVLIHZSA-N 328.397 2.970 10 40 EFCB C[C@H](O)CN(Cc1cc(OCc2ccccc2)ccc1O)C[C@H](C)O 1724245 YKZYOZQXPNGPPM-HOTGVXAUSA-N 345.439 2.535 10 40 EFCB O=C(O)CN1C(=O)/C(=C\c2cccn2-c2ccccc2)SC1=S 4124053 BWQCNEXYAFIULG-UKTHLTGXSA-N 344.417 2.763 10 40 EFCB Cc1ccc(C)n1-c1ccsc1C(=O)NCC(=O)N1CCCC1 54152099 QYYVBAYAMORJFB-UHFFFAOYSA-N 331.441 2.508 10 40 EFCB Cc1nn(C)c(C)c1/C=C/C(=O)NCc1ccc(N2CCCC2)cc1 28047107 MVOWLQVFFMBCML-ZHACJKMWSA-N 338.455 2.967 10 40 EFCB COc1cccc(/C=C2\SC(=S)N(CCCC(=O)O)C2=O)c1 12504555 NDOYAOFADRKHAN-XFXZXTDPSA-N 337.422 2.761 10 40 EFCB Oc1ccccc1CN1CCC2(CC1)Nc1ccccc1C1=NCCN12 72327120 AXMZHWKIFQMURJ-UHFFFAOYSA-N 348.450 2.872 10 40 EFCB COc1ccccc1/C=C/C=C1\SC(=S)N(CCC(=O)O)C1=O 7166471 PAHGFTBEZXXNAY-GVVZRPPFSA-N 349.433 2.927 10 40 EFCB CCCOc1cccc(/C=C2\SC(=S)N(CC(=O)O)C2=O)c1 55037992 BMXLADUVYIAZRF-WQLSENKSSA-N 337.422 2.761 10 40 EFCB Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C\c2ccco2)C1=O 409199921 FRLHCTRKJQVYCJ-DHZHZOJOSA-N 330.727 2.908 10 40 EFCB CC(C)c1nnc2n1C[C@@H](CNCc1ccc3c(c1)CCO3)CC2 69588878 FGKCQBQDWFEEGS-OAHLLOKOSA-N 326.444 2.689 10 40 EFCB CC[C@@H](C(=O)O)N1C(=O)/C(=C/c2nc3ccccc3[nH]2)SC1=S 2241922 XYEZQKRNHXYQLM-QBQSQJOESA-N 347.421 2.627 10 40 EFCB O=C(C[C@H]1SC(=O)N(c2ccccc2)C1=O)Nc1ccccn1 36635232 LBGRLLJBXLHJJO-GFCCVEGCSA-N 327.365 2.679 10 40 EFCB CC[C@H](NC1CCN(C(=O)c2cnccn2)CC1)c1ccccc1O 156641948 UCFNHDKTCYRLNG-INIZCTEOSA-N 340.427 2.528 10 40 EFCB CN(Cc1ccccc1O)C(=O)NCCNC(=O)CC1CCCCC1 69618039 BHRBWPDUYOKIEP-UHFFFAOYSA-N 347.459 2.620 10 40 EFCB O=C(NCCCSc1nccs1)c1cc2ccccc2c(=O)[nH]1 79308269 KIHNLEQASMSJBT-UHFFFAOYSA-N 345.449 2.897 10 40 EFCB COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2cc(C)ccc2F)c1 69696683 IPQUOWZSMDNJIR-LLVKDONJSA-N 346.358 2.664 10 40 EFCB CCCOC(=O)CCN1C(=O)/C(=C/c2ccco2)SC1=S 2700417 HCFFNSTVMNJHMA-LUAWRHEFSA-N 325.411 2.824 10 40 EFCB O=C(NN1C(=O)/C(=C/c2ccc[nH]2)SC1=S)c1ccc(F)cc1 5552837 FWHDYNQUACQHNV-WQLSENKSSA-N 347.396 2.700 10 40 EFCB CC[C@H](C)N1C(=O)/C(=C\Nc2ccc3c(c2)CCC3)C(=O)NC1=S 101090235 FMQLGFVETYUARP-SAIXKJTDSA-N 343.452 2.513 10 40 EFCB O=c1cccc2n1C[C@H]1C[C@H]2CN(Cc2cc(Cl)ccc2O)C1 104348441 TVLYCFSALIPHCH-STQMWFEESA-N 330.815 2.827 10 40 EFCB O=C(NCc1ccc(N2CCOCC2)cc1)c1ccc2c(c1)CCC2 54285036 WDCITZQXQFYMQE-UHFFFAOYSA-N 336.435 2.942 10 40 EFCB CCN1C(=O)S/C(=C\c2ccc(N3CCOCC3)cc2C)C1=O 981850 INDDLKMOXVTJBT-PTNGSMBKSA-N 332.425 2.888 10 40 EFCB CC1(C)[C@]2(C)CC[C@]1(C(=O)N1CCCc3ccccc31)C(=O)C2=O 100867776 OFMMHXXUMVVBGW-WOJBJXKFSA-N 325.408 2.930 10 40 EFCB CC(C)N(C)S(=O)(=O)N(C)Cc1ccc(N2CCCCC2)cc1 44944695 MJCPEKAUFHHSGQ-UHFFFAOYSA-N 339.505 2.694 10 40 EFCB C[C@H]1CN(C2=NC(=O)/C(=C\c3cccc([N+](=O)[O-])c3)S2)C[C@@H](C)O1 7079535 REEWXXWJLMPGNN-WMNKIYBBSA-N 347.396 2.674 10 40 EFCB CN1C(=O)C(=Cc2ccc(-c3ccc(F)cc3F)o2)C(=O)N(C)C1=O 5719690 JVRBDTOEFGERJM-UHFFFAOYSA-N 346.289 2.659 10 40 EFCB O=C(NN1C(=O)/C(=C\c2ccccn2)SC1=S)c1cccs1 1412513 XNKDEYIOIYAOFW-DHZHZOJOSA-N 347.446 2.689 10 40 EFCB C[C@@H](C(=O)NCc1ccc(N(C)C2CCCCC2)cc1)n1cncn1 58213266 WTEAKVCIKCTMKN-HNNXBMFYSA-N 341.459 2.924 10 40 EFCB CN(C)c1ccc(CNc2ccc3nnc(C(F)(F)F)n3n2)cc1 9314261 BZILSTKYZOJARU-UHFFFAOYSA-N 336.321 2.821 10 40 EFCB CN(C)c1ccc(CNC(=O)C[C@H]2OC(=O)c3ccccc32)cc1F 69914316 FQEHQYVMDHNRKF-QGZVFWFLSA-N 342.370 2.810 10 40 EFCB CN1C(=O)C(=Cc2ccc(-c3ccccc3F)o2)C(=O)N(C)C1=O 5659764 YHXBFOZJBFRILM-UHFFFAOYSA-N 328.299 2.520 10 40 EFCB CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2cccs2)C1=O 452686 ZQEQKCQLCQRCDK-ZRDIBKRKSA-N 342.376 2.813 10 40 EFCB CCOc1cccc(CNCCN2CCc3ccccc3C2)c1O 58440397 UIWDWYKXTNCQKJ-UHFFFAOYSA-N 326.440 2.939 10 40 EFCB COc1cccc(CN2CCC(C(=O)N3CCC[C@H](C)C3)CC2)c1O 5677429 PHVJWTPDIDESGE-HNNXBMFYSA-N 346.471 2.871 10 40 EFCB CC1=NN(c2ccc(C)cc2)C(=O)/C1=C/C1=C(O)OC(C)(C)OC1=O 100922670 ZXCDQRJDBXFDSE-UKTHLTGXSA-N 342.351 2.723 10 40 EFCB O=C(CC[C@@H]1CCCO1)NCc1ccc(N2CCSCC2)cc1 48367287 SXMIJLHJPZZHKT-KRWDZBQOSA-N 334.485 2.815 10 40 EFCB COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2cc(C)cc(C)c2)c1 71803501 HVBWSGNXSUHWJL-ZDUSSCGKSA-N 342.395 2.834 10 40 EFCB Cc1cc(/C=C2\N=C(S)NC2=O)c(C)n1-c1cccc([N+](=O)[O-])c1 32916776 UOGWJVXQZDLHJZ-AUWJEWJLSA-N 342.380 2.759 10 40 EFCB C[C@@H](NC(=O)c1ccccc1O)c1ccc(N2CCN(C)CC2)cc1 55709766 NVZAHSLFKKAVTD-OAHLLOKOSA-N 339.439 2.635 10 40 EFCB COc1ccc(N(CC(=O)NC2CCOCC2)[C@@H](C)C2CC2)cc1 78922818 DUCCBSKPJYMDSI-AWEZNQCLSA-N 332.444 2.595 10 40 EFCB CCN(CC)CCOc1cccc2c1C(=O)c1c(O)cccc1C2=O 4783342 YYONKABVTKIICL-UHFFFAOYSA-N 339.391 2.888 10 40 EFCB Cc1cc(C(=O)COc2cccc(C(N)=O)c2)c(C)n1-c1ccccn1 48265199 CLKFMJMHHJVHOI-UHFFFAOYSA-N 349.390 2.850 10 40 EFCB CCC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(C=O)cc2)SC1=S 5375009 PMXYARXUNGBKNG-OEMOTLHWSA-N 349.433 2.954 10 40 EFCB CN(C)c1ccc(CNC(=O)c2ccc3c(c2)NC(=O)CS3)cc1 12534235 GDKYLTARTYLVQQ-UHFFFAOYSA-N 341.436 2.727 10 40 EFCB Cc1cc(C(=O)OCCN2CCOC2=O)c(C)n1-c1ccccc1F 44951031 QVPPNEQUXKASGK-UHFFFAOYSA-N 346.358 2.842 10 40 EFCB CCN1C(=O)/C(=C/c2coc3ccc(O)cc3c2=O)SC1=S 2440048 CIRKPNSHFIYZDU-XGICHPGQSA-N 333.390 2.720 10 40 EFCB Cc1cccc(-n2c(C)cc(C(=O)N3CCOC[C@H]3CCO)c2C)c1 95451149 FQHDFNKIKRFAQH-GOSISDBHSA-N 342.439 2.626 10 40 EFCB Cc1ccc(O)c(CN2CCc3nc(-c4ccncc4)nc(O)c3C2)c1 72339826 KADJNYNHFZNTSF-UHFFFAOYSA-N 348.406 2.817 10 40 EFCB C[C@H]1Cc2cc(/C=C3\SC(=S)N(CCC(=O)O)C3=O)ccc2O1 16810406 QRFKSPGPDDXUED-LMRAXHDRSA-N 349.433 2.686 10 40 EFCB Cc1ccc(/C=C2/SC(=S)N(CCN3CCOCC3)C2=O)cc1 96935899 USGXBUQAVBCWPX-NTCAYCPXSA-N 348.493 2.528 10 40 EFCB Cc1cc(/C=C2\NC(=S)NC2=O)c(C)n1-c1ccc(N(C)C)cc1 15723906 KMGBIURUKWKZDV-YBEGLDIGSA-N 340.452 2.505 10 40 EFCB COc1cc2c(cc1OC)CCN(CCc1ccc(N)cc1)CC2 830 BTCHMHMCMKZOQS-UHFFFAOYSA-N 326.440 2.929 10 40 EFCB in-man COc1ccc(C=C2C(=O)OC3(CCCCC3)OC2=O)cc1OC 87827 MRWXAAZUUUOVHP-UHFFFAOYSA-N 332.352 2.848 10 40 EFCB C[C@@H]1CN(C2=NC(=O)/C(=C\c3ccc(N(C)C)cc3)S2)C[C@@H](C)O1 4486144 OETWZDSBKLQHGE-SUNVMROUSA-N 345.468 2.832 10 40 EFCB COc1ccc(-n2c(C)cc([C@@H]3NC[C@H](C(=O)O)S3)c2C)cc1 408978853 NQSXIUDZLJFRRT-HZPDHXFCSA-N 332.425 2.891 10 40 EFCB Oc1ccc(Nc2ncnc3ccsc23)cc1CN1CCOCC1 71920558 PQRUZSRUTIUIKZ-UHFFFAOYSA-N 342.424 2.973 10 40 EFCB CCOc1ccccc1/C=C1/SC(=S)N([C@@H](C)C(=O)O)C1=O 967028 JJLOCARCROSFKV-KWINOFQJSA-N 337.422 2.760 10 40 EFCB COc1cccc(/C=C2/C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c1 459509 ZOIAHWKDNZYKNR-GDNBJRDFSA-N 340.310 2.501 10 40 EFCB Cc1ccc(N2C(=O)C(=CN)C(=O)N(c3ccc(C)cc3)C2=O)cc1 6488022 IWTMZZLFBXXAEC-UHFFFAOYSA-N 335.363 2.646 10 40 EFCB CCOC(=O)NN1C(=O)c2ccccc2N[C@@H]1c1ccccc1O 3641434 NICHJVDQFWARSF-HNNXBMFYSA-N 327.340 2.620 10 40 EFCB Cc1c(CC(=O)N[C@H]2CCCC[C@H]2C)c(=O)oc2c(O)c(O)ccc12 5347798 LXWCFTZNOKRFKB-YGRLFVJLSA-N 345.395 2.750 10 40 EFCB COc1ccc(NS(=O)(=O)c2cc(C)cc3nsnc23)cc1 16284105 TVVRGXBCMQUOOE-UHFFFAOYSA-N 335.410 2.809 10 40 EFCB O=S(=O)(Nc1c(F)c(F)cc(F)c1F)c1cccc2nonc12 14256538 PEYADCGADNVLMU-UHFFFAOYSA-N 347.249 2.580 10 40 EFCB O=C1c2ccccc2C(=O)N1Cc1cc(Br)ccc1O 1724545 GAVLKKLOKMACDC-UHFFFAOYSA-N 332.153 2.951 10 40 EFCB CC1=NN(C(=O)c2ccncc2)C(=O)[C@@H]1/N=N/c1ccc(F)cc1 102987069 GKQWVBRPLBCQTM-ATQAJOFPSA-N 325.303 2.732 10 40 EFCB c1cnn(-c2ccc(CNCc3ccc(N4CCOCC4)cc3)cc2)c1 48713699 PJWJTGJQOQVMLW-UHFFFAOYSA-N 348.450 2.999 10 40 EFCB C[C@H]1CN(c2ccc(CNC(=O)c3ccccn3)cc2F)C[C@@H](C)O1 55529975 JGGUFFBCRDRELC-OKILXGFUSA-N 343.402 2.764 10 40 EFCB COc1ccc(N2CCN(c3nccn4nc(C5CC5)cc34)CC2)cc1 865402971 KIAUMIVRMNEMAJ-UHFFFAOYSA-N 349.438 2.942 10 40 EFCB CC(C)c1noc([C@@H]2C[C@@H](O)CN2Cc2ccc(N(C)C)cc2)n1 15674739 DXMNQLXNSVFOFI-CVEARBPZSA-N 330.432 2.567 10 40 EFCB biogenic,in-vitro O=C1N=C(Nc2ccccc2C(=O)O)S/C1=C\c1cccnc1 5373241 FJEXTAXVKRZJSX-JYRVWZFOSA-N 325.349 2.862 10 40 EFCB CCCC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccncc2)SC1=S 4193754 PQOKULPJJBJEDO-AWPPVZKDSA-N 336.438 2.926 10 40 EFCB CCCCCC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 55916390 KBABLACZNVOZFD-MRXNPFEDSA-N 331.460 2.585 10 40 EFCB O=C1N=C(N2CCCCC2)S/C1=C\c1cc2ccccc2[nH]c1=O 45111568 WAYJYWCPKXZYOH-PTNGSMBKSA-N 339.420 2.984 10 40 EFCB Cc1cc(N2CCCC2)ccc1/C=C\c1nc(O)nc(O)c1[N+](=O)[O-] 409322483 XRLKMZZITLVGDO-ALCCZGGFSA-N 342.355 2.875 10 40 EFCB C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)N(C)Cc1ccc(N(C)C)cc1 36650467 FAGNOAVQEHGLIS-LIRRHRJNSA-N 340.423 2.940 10 40 EFCB CC[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1NCc1ccc2c(c1)CCO2 89948977 UJEHGOYVNYSYEJ-QAPCUYQASA-N 328.456 2.748 10 40 EFCB CCn1cc(/C=C2/SC(=S)N(CC(=O)O)C2=O)c2ccccc21 6243890 OHKQLZZGIMTJBG-NTUHNPAUSA-N 346.433 2.947 10 40 EFCB O=C(NN1C(=O)/C(=C/c2cccs2)SC1=S)c1cccnc1 2450561 ICEBWZPOFRUNSX-XFFZJAGNSA-N 347.446 2.689 10 40 EFCB CCOC(=O)[C@H]1CCCN(C2=NC(=O)/C(=C/c3ccccc3)S2)C1 521107 FOMYBNHZQGRUBS-XFNCEPBJSA-N 344.436 2.932 10 40 EFCB O[C@@]1(c2ccccc2F)CN(c2ccccc2)C2=[N+]1CCCS2 3226871 LLBQGWTTYSKQIX-GOSISDBHSA-N 329.420 2.996 10 40 EFCB Cc1ccc(O[C@H](C)C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cc1 96011706 LKJHPEXIXJUBAE-ZIAGYGMSSA-N 329.396 2.921 10 40 EFCB CCCCN1C(=O)NC(=O)/C(=C/N[C@@H]2C[C@H]3CC[C@]2(C)C3(C)C)C1=O 33849471 CZDQBOZKBPDLHX-KOMDYEAUSA-N 347.459 2.553 10 40 EFCB Oc1ccccc1N1CCN(Cc2c(O)ccc3ccncc23)CC1 21998516 FYNKOXYBQLQOLF-UHFFFAOYSA-N 335.407 2.968 10 40 EFCB Cc1ccc(C(=O)N(C)Cc2ccc(N3CCCC3)cc2)c(=O)[nH]1 62639982 QJWJUSWWOYJPCJ-UHFFFAOYSA-N 325.412 2.556 10 40 EFCB COc1ccc(CNCc2cccs2)cc1CN1CCOCC1 13736044 HHUHBZQRBPXIHZ-UHFFFAOYSA-N 332.469 2.879 10 40 EFCB COc1ccc(N2CCN(C(=O)[C@H]3C[C@@H]3c3ccco3)CC2)cc1 71834957 KVABGWBKXJQSIB-IRXDYDNUSA-N 326.396 2.741 10 40 EFCB Cc1cccc(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)c1 408917297 QPFOSCUPKNHYJR-GDNBJRDFSA-N 340.379 2.965 10 40 EFCB COCc1ccccc1S(=O)(=O)Nc1ccc(O)cc1C(C)=O 390834342 WRRMJACTBIQXEO-UHFFFAOYSA-N 335.381 2.542 10 40 EFCB O=C(O)c1ccc(/C=C2\C(=O)N(c3ccccc3)C(=O)N=C2O)cc1 13766071 LXHVLHODSDJMDA-UVTDQMKNSA-N 336.303 2.892 10 40 EFCB CN(CCO)c1ccc([C@H]2Nc3ccccc3C(=O)N2C2CC2)cc1 7886347 IVDQYWCICRLNDV-IBGZPJMESA-N 337.423 2.844 10 40 EFCB CN(C)C(=O)c1ccnc(N2CC=C(c3c[nH]c4ncccc34)CC2)c1 79029395 NONIXKSTTSBNMF-UHFFFAOYSA-N 347.422 2.953 10 40 EFCB O=c1oc2c(CNC[C@@H]3CCCO3)c(O)ccc2c2ccccc12 6754672 DUNQDLRAVOBBHU-LBPRGKRZSA-N 325.364 2.920 10 40 EFCB COc1cc(/C=C2/C(=N)N3C=C(C)SC3=NC2=O)cc(OC)c1O 41083640 AKUWJDDJPJWMOG-SSTMENMXSA-N 345.380 2.576 10 40 EFCB CCOC(=O)c1ccc(-n2cnc3c2C(=O)c2ccccc2C3=O)cc1 12523899 LTQMZKPQRQZWPI-UHFFFAOYSA-N 346.342 2.824 10 40 EFCB C[C@@H]1CN(C2=NC(=O)/C(=C\c3cccc([N+](=O)[O-])c3)S2)C[C@@H](C)O1 7079540 REEWXXWJLMPGNN-PRRORJFTSA-N 347.396 2.674 10 40 EFCB CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc(C)o2)C1=O 409221447 QJZPNYPUARKPOS-JLHYYAGUSA-N 340.335 2.653 10 40 EFCB COc1cc(C=O)cc(CN2CCN(c3ccccc3F)CC2)c1O 226762996 NSOLJNBPMFCVCZ-UHFFFAOYSA-N 344.386 2.675 10 40 EFCB Cc1nn(C)c(C)c1/N=c1\scc(-c2ccc(O)c(O)c2)n1C 101719446 GPNJIDMVNLLZOM-MSUUIHNZSA-N 330.413 2.748 10 40 EFCB O=C(NN1C(=O)/C(=C/c2cccnc2)SC1=S)c1ccccc1 1808478 VHLKSCCTMZDIIA-LCYFTJDESA-N 341.417 2.628 10 40 EFCB CN(C)c1ccc(CNC(=O)c2cc(=O)c3ccccc3o2)cc1F 58733736 GHPXPFXTCIAUSR-UHFFFAOYSA-N 340.354 2.928 10 40 EFCB Cc1cc(C)cc(N2C(=O)N=C(O)/C(=C\NCc3ccco3)C2=O)c1 103101303 NDZYJBGZMAJBMW-XNTDXEJSSA-N 339.351 2.993 10 40 EFCB O=[N+]([O-])c1cccc(-c2nnc3n2N[C@H](c2ccccc2O)S3)c1 3843203 WHFYITASEOGZSV-AWEZNQCLSA-N 341.352 2.907 10 40 EFCB biogenic C[C@H]1CN(C2=NC(=O)/C(=C/c3ccc(N(C)C)cc3)S2)C[C@H](C)O1 4817089 OETWZDSBKLQHGE-PZBCOFIESA-N 345.468 2.832 10 40 EFCB Cc1nc(CNCc2ccc(N3CCC(O)CC3)c(F)c2)cs1 71825304 AOGWAAUJNZINQT-UHFFFAOYSA-N 335.448 2.842 10 40 EFCB Cc1noc(Cl)c1CCC(=O)N[C@H](C)Cc1ccc(O)c(O)c1 97098034 RBIAIGPSEKZKFF-SECBINFHSA-N 338.791 2.728 10 40 EFCB COC(=O)/C=C/c1ccc(N2Cc3c[nH]nc3[C@@H](C)C2)c([N+](=O)[O-])c1 585134912 OZYLZCZHUPMOST-MALLOTDXSA-N 342.355 2.628 10 40 EFCB CCCc1noc([C@@H](C)N2CCN(c3ccc(OC)cc3)CC2)n1 44584127 MQTLXHONAMDDRP-CQSZACIVSA-N 330.432 2.914 10 40 EFCB Cc1ccc(C(=O)N2CCC[C@H]2c2noc(C(C)C)n2)c(O)c1O 95456920 GXWQQSRIOZRXMR-LBPRGKRZSA-N 331.372 2.890 10 40 EFCB O=C1N=C(N2CCOCC2)S/C1=C\c1c(F)cccc1Cl 13777677 MLYBTYYRCJWQCG-WQLSENKSSA-N 326.780 2.782 10 40 EFCB COc1ccc(N2CCN([C@@H](c3cccs3)[C@@H](C)N)CC2)cc1 21948405 WSUXQQNLLUGNCE-RDTXWAMCSA-N 331.485 2.967 10 40 EFCB CCCN(Cc1ccccc1O)C(=O)c1ccc(S(C)(=O)=O)cc1 69487597 PGVOAPPICNGKRH-UHFFFAOYSA-N 347.436 2.848 10 40 EFCB COc1ccc(-n2c(C)cc(C(=O)N3CCC[C@H](O)C3)c2C)cc1 72902638 NKRCXBMYESKDHF-INIZCTEOSA-N 328.412 2.700 10 40 EFCB CCN(CC)c1ccc(CNC(=O)N[C@H](C)c2cnn(C)c2)cc1F 78941563 FHIDWVIJHQPDFQ-CYBMUJFWSA-N 347.438 2.966 10 40 EFCB CCN(CC)c1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)o1 33620840 MVNVDVIJQULBBE-QINSGFPZSA-N 325.368 2.587 10 40 EFCB Cc1nn(C)c(C)c1[C@@H]1OCC[C@@H]1CNCc1ccc2c(c1)CCO2 76042662 OWWKDEYEYPANDL-YLJYHZDGSA-N 341.455 2.839 10 40 EFCB CCNc1nc(C(=O)NCCCSc2nccs2)cs1 78995692 WKOLVGHBEFCTQL-UHFFFAOYSA-N 328.488 2.944 10 40 EFCB O=C(O)CCN1C(=O)/C(=C/c2cc(Cl)ccc2O)SC1=S 35169084 JFYNUGXLIIEGRK-POHAHGRESA-N 343.813 2.722 10 40 EFCB COc1ccc([C@H]2CC(c3ccccc3O)=NN2C=O)cc1OC 66091605 XDCJABUHKANNPE-OAHLLOKOSA-N 326.352 2.717 10 40 EFCB COc1ccc(/C=C2/C(=O)NN(c3ccc(Cl)cc3)C2=O)cc1 5513467 LROLDWZBQCFPAE-GDNBJRDFSA-N 328.755 2.810 10 40 EFCB CN(C)c1ccc([C@H]2N[C@@H](C(=O)O)Cc3c2[nH]c2ccccc32)cc1 3999647 PSBAHRQDIWLSSI-QZTJIDSGSA-N 335.407 2.922 10 40 EFCB biogenic COc1ccc(N2CCN(C(=O)c3ccc(OC)c(F)c3)CC2)cc1 7220038 HLSDWJBKFOLSPF-UHFFFAOYSA-N 344.386 2.805 10 40 EFCB CN1C(=O)/C(=C/c2cn(CC(=O)O)c3ccccc23)SC1=S 409136758 VFNOUVAGTJYPBY-SDQBBNPISA-N 332.406 2.557 10 40 EFCB CCOC(=O)C1=C(C)N(CCOC)C(=O)/C1=C\c1cccc(C)c1 408585966 KSGDEYXUWZOBML-VBKFSLOCSA-N 329.396 2.704 10 40 EFCB CC1=NN(C(N)=S)C(=O)[C@@H]1/N=N/c1cc(Cl)ccc1Cl 100525219 OKQBWLBBYQONMR-HOBGCTPMSA-N 330.200 2.907 10 40 EFCB COc1cc(/C=C2\C(=O)NN(c3cccc(Cl)c3)C2=O)ccc1O 344837 JYRNUSZDFUPATQ-NTUHNPAUSA-N 344.754 2.516 10 40 EFCB O=c1cc2oc3cc(O)c(O)cc3c(-c3cccnc3O)c-2cc1O 1775963629 HBRMYVPCAAXLOB-UHFFFAOYSA-N 337.287 2.782 10 40 EFCB CN1C(=O)NC(=O)/C(=C\c2c(-c3ccccc3)[nH]c3ccccc23)C1=O 2371117 TZVILGDGNQDHNP-RVDMUPIBSA-N 345.358 2.927 10 40 EFCB COc1ccc(CNCc2ccc(F)cc2)cc1CN1CCOCC1 13736098 UCKHRJJLBYYWOZ-UHFFFAOYSA-N 344.430 2.956 10 40 EFCB CC(=O)c1cccc(NS(=O)(=O)c2cccc3nsnc23)c1 14256762 MTZPUBUHPRPVGY-UHFFFAOYSA-N 333.394 2.695 10 40 EFCB NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)C=C3CCCC3)cc2)C1 71818444 MXFJZFJSPHLQDV-KRWDZBQOSA-N 341.455 2.505 10 40 EFCB OC[C@@H](O)CSc1ncc(-c2ccccc2)n1CC(F)(F)F 75612584 UFWSLJGXDMAJIX-LLVKDONJSA-N 332.347 2.558 10 40 EFCB O=C(O)CN1C(=O)/C(=C/c2ccc(OC(F)F)cc2)SC1=S 97990690 BBTCNRRNWLAFAN-UITAMQMPSA-N 345.348 2.574 10 40 EFCB C/C(NCCCO)=C1/C(=O)N(c2ccccc2)N=C1c1ccccc1 4736928 OIJIYKOYIYUZRI-SDXDJHTJSA-N 335.407 2.684 10 40 EFCB COC(=O)C1=C(C)N(C(C)C)C(=O)/C1=C\c1ccc(OC)cc1OC 408983780 HRRCMNXIBGCINT-DHDCSXOGSA-N 345.395 2.785 10 40 EFCB C/C(=C/CC1C(=O)N(c2ccccc2)N(c2ccccc2)C1=O)CO 1590301 MOKPRIJKDCGLKJ-QINSGFPZSA-N 336.391 2.926 10 40 EFCB Cc1ccc(S(=O)(=O)NNc2scc(C)[n+]2C(C)(C)C)cc1 2388191 VSIMXTARBCKKGQ-UHFFFAOYSA-O 340.494 2.713 10 40 EFCB O=C1N=C(Nc2cccnc2)S/C1=C/c1ccc2c(c1)OCO2 4811783 TWLLNKHRJAYPOS-VGOFMYFVSA-N 325.349 2.893 10 40 EFCB CCN(C)c1ccc(CNC(=O)c2c(C)nn(C)c2Cl)cc1F 69618718 LVKRHRBAKKQGGC-UHFFFAOYSA-N 338.814 2.907 10 40 EFCB N#CCn1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c2ccccc21 33387108 DBQOHWQVIMTQFT-ATVHPVEESA-N 342.358 2.626 10 40 EFCB O=C(NCc1ccccc1O)C(=O)Nc1ccc2sccc2c1 84504733 HVOHOZZSTOLBPL-UHFFFAOYSA-N 326.377 2.862 10 40 EFCB COc1ccc(CN(C)Cc2cc([N+](=O)[O-])ccc2O)c(OC)c1 32810011 XSQIUGLVKZOYFO-UHFFFAOYSA-N 332.356 2.950 10 40 EFCB COc1ccc(N2CCN(C(=O)[C@@H](C)c3c(C)noc3C)CC2)cc1 58428366 SBZFIEQFNZPAEF-ZDUSSCGKSA-N 343.427 2.752 10 40 EFCB COc1cc2c(cc1NCC(=O)N1CCNC1=O)oc1ccccc12 9154733 MIQAYZKCXIWKAQ-UHFFFAOYSA-N 339.351 2.558 10 40 EFCB COc1ccc(C(=O)CN2CCN(c3ccc(OC)cc3)CC2)cc1 37134006 VQMHZULUZLLJMZ-UHFFFAOYSA-N 340.423 2.709 10 40 EFCB Cc1ccnc(NC(=S)NCc2ccc(N3CCOCC3)cc2)c1 225422345 FHIYLOBCEHGOAA-UHFFFAOYSA-N 342.468 2.713 10 40 EFCB COC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S 5555138 PKOLPWDYCKUXRS-CSKARUKUSA-N 327.452 2.903 10 40 EFCB Cc1ccc(N2NC(=O)/C(=C/c3ccccc3O)C2=O)cc1Cl 5173436 UOQYAYARXUCRLE-JYRVWZFOSA-N 328.755 2.815 10 40 EFCB O=C1/C(=C/NN2CCCCCC2)C(O)=NC(=S)N1c1ccccc1 6927524 XMOUETDSFIOWGG-WYMLVPIESA-N 344.440 2.539 10 40 EFCB COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2cc(C)cc(C)c2)c1 71803502 HVBWSGNXSUHWJL-CYBMUJFWSA-N 342.395 2.834 10 40 EFCB CCN1C(=O)/C(=C\c2cc(OC)c(O)c([N+](=O)[O-])c2)SC1=S 35073637 FHQPWGMNBBZSSU-UXBLZVDNSA-N 340.382 2.530 10 40 EFCB COc1cc(C)c(S(=O)(=O)Nc2ccc3c(c2)OCO3)c(C)c1 47454243 WBFGGBFNSMASIM-UHFFFAOYSA-N 335.381 2.842 10 40 EFCB O=C1NN(c2ccc(Cl)cc2)C(=O)/C1=C/c1cccc([N+](=O)[O-])c1 359868 PXQXANSEPDZASE-NTEUORMPSA-N 343.726 2.710 10 40 EFCB COCCCN1C(=O)/C(=C\c2cccc([N+](=O)[O-])c2)SC1=S 6088593 GTJNTPVWIUEWDW-FMIVXFBMSA-N 338.410 2.833 10 40 EFCB CC(C)CN(Cc1cc2c(cc1O)CCC2)[C@H]1CCS(=O)(=O)C1 32888223 QTWDCEXJKPRUMA-KRWDZBQOSA-N 337.485 2.526 10 40 EFCB COC(=O)Nc1cccc(NC(=O)NCCc2ccc(O)c(O)c2)c1 79067829 VMAABNAKKKPQHR-UHFFFAOYSA-N 345.355 2.640 10 40 EFCB CCN1C(=O)N=C(O)/C(=C\c2cc(C)n(C[C@@H]3CCCO3)c2C)C1=O 59109284 OSBQWOSUJVNYJK-AHSSXEFNSA-N 345.399 2.606 10 40 EFCB CCCC1=C(C(=O)OCC)[C@H](c2ccc(N(C)C)cc2)NC(=S)N1 408604095 DIIZGOFIDCYXGK-INIZCTEOSA-N 347.484 2.889 10 40 EFCB COc1cccc(CN[C@H]2CCCN(C(=O)c3ccccc3)C2)c1O 78553548 FQWCRRABGBYFKR-KRWDZBQOSA-N 340.423 2.795 10 40 EFCB COc1cc(C)sc1C(=O)NCc1ccc(N2CCOCC2)cc1 72782765 QYVKASDICOEQIG-UHFFFAOYSA-N 346.452 2.832 10 40 EFCB O=C(O)c1cc(N2C(=O)/C(=C/c3ccc[nH]3)SC2=S)ccc1O 54005191 BDEFEOURDPOUOU-SDQBBNPISA-N 346.389 2.824 10 40 EFCB O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@H]1CCCO1 245281192 ACQOCPCMWOYUQQ-SWLSCSKDSA-N 340.370 2.552 10 40 EFCB CCN1/C(=C2/SC(=S)N(N)C2=O)Sc2ccc(OC)cc21 33689134 AOJDQJNGWHTNLS-BENRWUELSA-N 339.467 2.530 10 40 EFCB Cc1cc(CNC(=O)c2ccc(Cn3cncn3)cc2)ccc1N(C)C 69696746 LLURXQKHISYRMA-UHFFFAOYSA-N 349.438 2.631 10 40 EFCB COc1ccc(N2CCN([C@@H](c3cccs3)[C@H](C)N)CC2)cc1 21948408 WSUXQQNLLUGNCE-KBXCAEBGSA-N 331.485 2.967 10 40 EFCB CC[C@@](C)(CO)NC(=O)Nc1c(-c2ccccn2)nc2ccccn12 585119586 MEOGBTHRVMXSJJ-SFHVURJKSA-N 339.399 2.679 10 40 EFCB COc1ccc(N(CCC(N)=O)Cc2cc(C)ccc2OC)cc1 15480258 NDFCHFXPIVAISP-UHFFFAOYSA-N 328.412 2.894 10 40 EFCB O=C1NN=C(C(F)(F)F)/C1=C\NCc1cccc(C(F)(F)F)c1 100408812 ABALIUONNHETAO-RMKNXTFCSA-N 337.223 2.727 10 40 EFCB NC(=O)[C@@H]1CCCN(c2ccc(CNc3cccc(F)n3)cc2)C1 57139703 ZWGJVBWUFZTINK-CQSZACIVSA-N 328.391 2.535 10 40 EFCB CCN(CC)c1ccc([C@@H]2C(C(=O)OC)=C(C)Nc3ncnn32)cc1 4284129 QYSQYJDRHIJXLH-MRXNPFEDSA-N 341.415 2.586 10 40 EFCB CNC(=O)c1ccc(NC(=O)N(C)Cc2ccccc2O)c(C)c1 47541581 XXGLOZQZZZOZAY-UHFFFAOYSA-N 327.384 2.724 10 40 EFCB NC1=NN(c2ccccc2)C(=O)/C1=C\n1c(=S)[nH]c2ccccc21 8651946 LXXGFRGUJNOZAC-BENRWUELSA-N 335.392 2.859 10 40 EFCB CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1ccc(=O)[nH]c1 9322851 FLUVBSQXOJWJPM-UHFFFAOYSA-N 325.412 2.637 10 40 EFCB O=C(/C=C/c1cc2c(cc1[N+](=O)[O-])OCO2)N1CCc2ccccc21 17337348 WQEPXSYVDXNNHF-AATRIKPKSA-N 338.319 2.926 10 40 EFCB CC/C=C(/C)C(=O)N1CSC[C@H]1C(=O)N(C)Cc1ccccc1O 69900740 UPCJKTDEQKOTBV-QLBUUCPGSA-N 348.468 2.608 10 40 EFCB Cc1ccnc(NCc2ccc(N3CCOCC3)c(F)c2)c1[N+](=O)[O-] 89701881 VDRJUYJAJQVANX-UHFFFAOYSA-N 346.362 2.886 10 40 EFCB COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2cccc(C)c2)c1 78442024 JQPXVRCDGRAXAN-GFCCVEGCSA-N 328.368 2.525 10 40 EFCB Cc1cc(/C=C2/N=C(S)NC2=O)c(C)n1-c1cccc([N+](=O)[O-])c1 447648 UOGWJVXQZDLHJZ-VGOFMYFVSA-N 342.380 2.759 10 40 EFCB CCOc1cc(-c2cc(-c3cc(O)c(O)cc3O)nn2C)ccc1O 257204342 AUBYECLDZJAFSM-UHFFFAOYSA-N 342.351 2.975 10 40 EFCB CC1=NN(c2ccccc2)C(=O)/C1=C\Nc1ccc2c(c1)oc(=O)n2C 16160815 AHKBLMWGYQREJF-PTNGSMBKSA-N 348.362 2.850 10 40 EFCB CC1(C)Cc2c(ccc3ccccc23)/C(=C/C(=O)N2CCOCC2)N1 5415272 NFIBJTSYAXDRFL-UYRXBGFRSA-N 336.435 2.964 10 40 EFCB Cc1ccccc1C(=O)NN1C(=O)/C(=C/c2ccc[nH]2)SC1=S 5552815 DQWBQPNQGYSWNH-LCYFTJDESA-N 343.433 2.869 10 40 EFCB Cc1nnc(CN2CCCc3cc(OC(F)(F)F)ccc32)n1C 52642059 VVOQQBUOHUWFDC-UHFFFAOYSA-N 326.322 2.975 10 40 EFCB COc1cc([C@@H]2CC(=O)Nc3ccc4nsnc4c32)cc(O)c1O 96230884 JYTWKSBXOCVFEC-QMMMGPOBSA-N 343.364 2.585 10 40 EFCB CCN(CC)c1ccc(CNC(=O)c2c(O)nnc(C)c2C)cc1F 66841487 HKYMXFBNEGWPCF-UHFFFAOYSA-N 346.406 2.714 10 40 EFCB CC(=O)N[C@@H](CC(=O)NCc1ccc(N(C)C)cc1)c1ccccc1 8170980 WNBYEJVKILQSNR-IBGZPJMESA-N 339.439 2.636 10 40 EFCB COc1ccc(N2C(=O)NC(=O)/C(=C/c3ccco3)C2=O)cc1Cl 5893770 CYZLYHHQWPPPIM-FLIBITNWSA-N 346.726 2.608 10 40 EFCB CNC(=O)c1cnc(/C=C/c2ccc(N3CCOCC3)cc2)s1 65489623 MYGBQYCLLKMNPV-QPJJXVBHSA-N 329.425 2.510 10 40 EFCB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccc(C=O)cc1 65565513 QLZASHJTOZOOGR-UHFFFAOYSA-N 338.407 2.608 10 40 EFCB Oc1ccc([C@@H]2OC[C@@H]3[C@H](c4ccc5c(c4)OCO5)OC[C@H]23)cc1O 66113153 CGEORJKFOZSMEZ-OYUDYFSCSA-N 342.347 2.902 10 40 EFCB in-vitro COc1ccc(C(=O)NCc2ccc(N3CCOCC3)cc2)cc1C 96125643 VJEBHUPLNWNUAK-UHFFFAOYSA-N 340.423 2.770 10 40 EFCB COc1cccc(/N=N/c2c(N)nn3c(=O)c4c([nH]c23)CCCC4)c1 103675029 WDJQAWOKBSVZGE-QZQOTICOSA-N 338.371 2.908 10 40 EFCB O=C1NC(=O)N(Cc2ccccc2)C(=O)/C1=C\c1c[nH]c2ccccc12 4660860 GKJXQRXAJNPUKI-YBEGLDIGSA-N 345.358 2.830 10 40 EFCB biogenic CS(=O)(=O)CCCN(Cc1ccccc1O)C1CCCCC1 72281951 AORCYOQMMLDBLI-UHFFFAOYSA-N 325.474 2.962 10 40 EFCB Cn1ccnc1-c1nccnc1[C@H]1CCCN(Cc2cscn2)C1 257242063 IAXISYSOVWGGSA-ZDUSSCGKSA-N 340.456 2.713 10 40 EFCB O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)[C@@H]1CCCO1 78979606 BECOKXYJFIBVRR-HNNXBMFYSA-N 340.370 2.552 10 40 EFCB Cc1nn(-c2ccccc2)c(O)c1/C=C1/SC(=S)N(C)C1=O 6921060 ADSZPGYXSLKNEG-XYOKQWHBSA-N 331.422 2.717 10 40 EFCB CC(=O)c1ccc(NC(=O)[C@@]23CC[C@](C)(C(=O)C2=O)C3(C)C)cc1 100624075 LDRQHUHRFVKVIS-RTBURBONSA-N 327.380 2.792 10 40 EFCB O=C(CN(Cc1ccccc1O)C1CCCC1)NCC(F)(F)F 69819292 BQUVVRXCXVHYGD-UHFFFAOYSA-N 330.350 2.815 10 40 EFCB O=C(O)CN1C(=O)/C(=C/c2cccc(C(F)(F)F)c2)SC1=S 969032 LRJQHOUCPHCLRC-UITAMQMPSA-N 347.339 2.991 10 40 EFCB O=C(O)CCCCCN1C(=O)/C(=C/c2cccnc2)SC1=S 1799380 TYBBOBJQIAPFRA-XFXZXTDPSA-N 336.438 2.928 10 40 EFCB COc1ccc(N(C)CC(=O)Nc2ccccc2[N+](=O)[O-])cc1OC 58159058 BARWWUHVNMSLOG-UHFFFAOYSA-N 345.355 2.687 10 40 EFCB Cc1cc(O)ccc1NS(=O)(=O)c1cnn(-c2ccccc2F)c1 96435719 OHEVCGUUUMADPR-UHFFFAOYSA-N 347.371 2.826 10 40 EFCB CN(C)c1ccc([C@H]2C=C(C(C)(C)C)Nc3nnnn32)cc1[N+](=O)[O-] 103056197 IXMPXTZRHFACMW-GFCCVEGCSA-N 343.391 2.592 10 40 EFCB CC(C)c1nn(C)cc1CNCc1ccc(N2CCOCC2)c(F)c1 48748799 QKVQZVJGVXIDOT-UHFFFAOYSA-N 346.450 2.809 10 40 EFCB O=C1NN(c2ccccc2)C(=O)/C1=C/c1ccc(Br)o1 4677276 QXNWYINLMDURPW-DHZHZOJOSA-N 333.141 2.504 10 40 EFCB O=C1c2ccccc2-c2nc3[nH]nc(O)c3c(-c3ccc(O)c(O)c3)c21 18196155 SQLSIDFAENUMRB-UHFFFAOYSA-N 345.314 2.953 10 40 EFCB c1cc(N2CCCCC2)ccc1CNC[C@H]1CN(C2CC2)CCO1 72268814 USXSAGFINZTBPT-FQEVSTJZSA-N 329.488 2.630 10 40 EFCB CC(=O)Nc1cc(NS(=O)(=O)c2ccc(C)cc2C)ccc1O 32913759 PANVVYYLNAKCJT-UHFFFAOYSA-N 334.397 2.768 10 40 EFCB CCCc1ccc(S(=O)(=O)Nc2ccc(O)c(C(=O)O)c2)cc1 13464117 LGTAIVSOLBEYAL-UHFFFAOYSA-N 335.381 2.844 10 40 EFCB O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/Nc1ccccc1 5899754 PMNLIWHOELROSV-ZRDIBKRKSA-N 341.367 2.569 10 40 EFCB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccccc1O 24192794 KXAQJGCYRRQWEY-UHFFFAOYSA-N 326.396 2.501 10 40 EFCB CN(C)c1ccc([C@@H](CNC(=O)NCc2ccccc2)N(C)C)cc1 22418296 FSNSAXINAVVTIC-LJQANCHMSA-N 340.471 2.855 10 40 EFCB Cc1nc(/C=C/C(=O)NCc2ccc(N3CCOCC3)cc2)cs1 56199322 TVLNRZKNHVMVJZ-QPJJXVBHSA-N 343.452 2.618 10 40 EFCB COC(=O)C1=C(C)N(C(C)C)C(=O)/C1=C\c1ccc(C(=O)OC)cc1 59566419 LFSAJEMNFAHOJO-GDNBJRDFSA-N 343.379 2.554 10 40 EFCB CCCC1=NN(c2ccc(F)cc2)C(=O)/C1=C\NC[C@@H]1CCCO1 102881839 CHPYWDOGDKGDCA-JORMNFRLSA-N 331.391 2.981 10 40 EFCB COc1cc(C2(C(=O)NCCc3ccc(O)c(O)c3)CC2)ccc1C 89647059 SCHJEOZBEBADDS-UHFFFAOYSA-N 341.407 2.805 10 40 EFCB COCOc1ccc(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 65743251 YAIAQYBECSXYAR-UHFFFAOYSA-N 343.383 2.904 10 40 EFCB in-vitro COc1cc(C=C2C(=O)OC3(CCCCC3)OC2=O)cc(OC)c1O 408769939 QVUDSTMMKYWUJT-UHFFFAOYSA-N 348.351 2.553 10 40 EFCB COCCNC(=O)C(=O)c1cc(C)n(-c2cccc(Cl)c2)c1C 41107826 YJOOPLCRHWDHEI-UHFFFAOYSA-N 334.803 2.693 10 40 EFCB CC(C)C[C@@H](C(=O)O)N1C(=O)/C(=C/c2cccn2C)SC1=S 6563793 BVULSQXCOXUJCA-LCFDYFRESA-N 338.454 2.726 10 40 EFCB Nc1ccc(/N=[N+](/[O-])c2ccc([N+](=O)[O-])c([N+](=O)[O-])c2)cc1[N+](=O)[O-] 104243649 FYAFMXHXXYYAIY-CCEZHUSRSA-N 348.231 2.919 10 40 EFCB Cc1ccc(Cl)cc1N1C(=O)NC(=O)/C(=C\c2ccc[nH]2)C1=O 35974034 YVEVFLQLKWLMHN-XYOKQWHBSA-N 329.743 2.643 10 40 EFCB Cc1nn(C)cc1/C=C1\SC(N2CCc3ccccc3C2)=NC1=O 36621305 GXSKFMAVIDTSJG-SXGWCWSVSA-N 338.436 2.757 10 40 EFCB CCc1ccccc1N1C(=O)NC(=O)/C(=C/c2cccs2)C1=O 5903420 MFWLOWFQJKSELK-RAXLEYEMSA-N 326.377 2.977 10 40 EFCB COc1ccc(N(Cc2ccco2)C[C@H](O)Cn2cccn2)cc1F 72292487 SZBXAENZHQJFMY-HNNXBMFYSA-N 345.374 2.692 10 40 EFCB CN1C(=O)C(=Cc2ccc(-c3ccccc3)o2)C(=O)N(C)C1=S 4723876 JQNVWIPXVDRQNF-UHFFFAOYSA-N 326.377 2.545 10 40 EFCB CN(Cc1ccccc1O)C(=O)Nc1ccccc1N1CCOCC1 83865596 OGFIAAZKFWTPMN-UHFFFAOYSA-N 341.411 2.893 10 40 EFCB CSc1ccc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc1 409374061 YJCZUIWIWTZHGW-NTEUORMPSA-N 342.376 2.664 10 40 EFCB Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3ccccc3O)C2=O)c1 59426649 KLTGOUIATAKXCC-XNTDXEJSSA-N 336.347 2.675 10 40 EFCB CCCC1=NN(c2ccc(F)cc2)C(=O)/C1=C/NC[C@H]1CCCO1 100111167 CHPYWDOGDKGDCA-XYGUXCPDSA-N 331.391 2.981 10 40 EFCB Cc1cc(C(=O)NC2CCN(Cc3cc(C)c(C)cc3O)CC2)no1 52084271 RUHFJEOGKVHCJX-UHFFFAOYSA-N 343.427 2.700 10 40 EFCB Cc1nn(C)c(C)c1[C@@H]1OCC[C@H]1CNCc1ccc2c(c1)CCO2 76042658 OWWKDEYEYPANDL-FXAWDEMLSA-N 341.455 2.839 10 40 EFCB O=C(CCc1ccncc1)N(Cc1ccccc1O)C[C@H]1CCCO1 96410502 HCHQXDMNTNPOEA-GOSISDBHSA-N 340.423 2.928 10 40 EFCB Cc1cc(=O)oc2c(CN3CC[C@]4(O)CCCC[C@H]4C3)c(O)ccc12 1554502588 QYRIHSOITNEDOL-VBKZILBWSA-N 343.423 2.934 10 40 EFCB COc1cc(/C=C2/C(=N)N3N=C(C(C)C)SC3=NC2=O)ccc1O 106951 IYEWBTKEZVGUJP-GDWDSQERSA-N 344.396 2.676 10 40 EFCB C[C@H](C(=O)O)N1C(=O)/C(=C/c2cn(C)c3ccccc23)SC1=S 5477864 ZYSMNFVFINVBBI-VAENJDROSA-N 346.433 2.853 10 40 EFCB CCn1cc([C@H]2OCC[C@H]2CNCc2ccc3c(c2)CCO3)cn1 83843516 JZWPVZAKHBBEQP-LPHOPBHVSA-N 327.428 2.705 10 40 EFCB C[C@H](NCc1ccc(N2CCOCC2)c(F)c1)[C@@H](C)n1cccn1 69372336 QMZULVRIGSMLCD-LSDHHAIUSA-N 332.423 2.598 10 40 EFCB CN(C)c1ccc(CN(CC(F)(F)F)C(=O)c2ccon2)cc1 72292655 XTTAOZYGQCZRHU-UHFFFAOYSA-N 327.306 2.945 10 40 EFCB CN(C)c1ccc([C@@H]2C=C(C(C)(C)C)Nc3nnnn32)cc1[N+](=O)[O-] 103056200 IXMPXTZRHFACMW-LBPRGKRZSA-N 343.391 2.592 10 40 EFCB O=C(CCc1ccccc1F)NCc1ccc(N2CCOCC2)cc1 54284994 MKXNKFMCSAGPEH-UHFFFAOYSA-N 342.414 2.911 10 40 EFCB O=C(O)[C@@H]1Nc2ccc(I)cc2[C@@H]2C=CC[C@H]12 58850917 QOCVFFNNYGFKLH-VDDIYKPWSA-N 341.148 2.830 10 40 EFCB CC(C)(C)c1n[nH]cc1CNCc1ccc(N2CCOCC2)c(F)c1 97159435 LSLFNAIZVPTOBC-UHFFFAOYSA-N 346.450 2.973 10 40 EFCB CN1CCC(N(C)C(=O)/C=C/c2ccc3c(c2)CCCN3C)CC1 69739943 DQYMIWXBGFSMOH-VQHVLOKHSA-N 327.472 2.635 10 40 EFCB COc1ccc(N(C)Cc2cc(=O)n3c(C)csc3n2)cc1OC 58179691 OOONJWNVZPZAPM-UHFFFAOYSA-N 345.424 2.718 10 40 EFCB COC(=O)c1[nH]c2ccccc2c1/C=C1\SC(=S)N(C)C1=O 102724568 XSOUCQVKZRHJNW-XFFZJAGNSA-N 332.406 2.786 10 40 EFCB COC(=O)CCN1C(=O)/C(=C\c2sccc2C)SC1=S 28048167 JQKSAHZTEAWFBG-JXMROGBWSA-N 327.452 2.821 10 40 EFCB Cc1cc(O)ccc1NS(=O)(=O)c1ccc(Cl)c(C(=O)O)c1 226856176 IRCNZOKHGBXZTG-UHFFFAOYSA-N 341.772 2.853 10 40 EFCB COCCN1C(=O)S/C(=C/C=C/c2ccc(N(C)C)cc2)C1=O 409125428 MJTYAXCBKIAVAR-VCXFDYNHSA-N 332.425 2.992 10 40 EFCB CCN(C)c1ccc(/C=C2\C(=O)NN(c3ccc(C)cc3)C2=O)cc1 483158 ODIIAEVJXQJVDB-QGOAFFKASA-N 335.407 2.913 10 40 EFCB O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@@H]1CCCO1 81203090 ACQOCPCMWOYUQQ-WFASDCNBSA-N 340.370 2.552 10 40 EFCB OC[C@H](O)CSc1ncc(-c2ccccc2)n1CC(F)(F)F 75612585 UFWSLJGXDMAJIX-NSHDSACASA-N 332.347 2.558 10 40 EFCB CCOc1ccccc1/C=C1/SC(=S)N([C@H](C)C(=O)O)C1=O 967030 JJLOCARCROSFKV-YXYQAXARSA-N 337.422 2.760 10 40 EFCB c1cc(N2CCOCC2)ccc1CNCc1ccc2c(c1)OCO2 22770189 MRWRRAJGEDLCJA-UHFFFAOYSA-N 326.396 2.542 10 40 EFCB O=C1NC(=O)N(C2CCCCCC2)C(=O)/C1=C/Nc1cccc(F)c1 5119768 LBPIMQOFKBDPBH-RVDMUPIBSA-N 345.374 2.923 10 40 EFCB COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2cc(C)ccc2C)c1 71803513 VGLAHCGHSXCXTC-ZDUSSCGKSA-N 342.395 2.834 10 40 EFCB COC(=O)Cc1c(C)c2ccc(O)c(CNC3CCCC3)c2oc1=O 13628490 IADDLINQSGNPBK-UHFFFAOYSA-N 345.395 2.555 10 40 EFCB CN(C)c1ccc(CN(C)S(=O)(=O)c2ccc(F)cc2F)cc1 9368321 AYJNLWRLVULCTK-UHFFFAOYSA-N 340.395 2.852 10 40 EFCB COC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1ccc(C(=O)O)cc1 108124 BVJMLDKUCLEGQT-DHDCSXOGSA-N 343.379 2.713 10 40 EFCB Cc1ccc(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)n1C 72287593 JXWDKYLVNPFGBA-MRXNPFEDSA-N 328.412 2.861 10 40 EFCB CN(C)c1ccc(CNC(=O)CCNC(=O)Nc2ccccc2)cc1 12596403 YMEBXAAMPXVPEE-UHFFFAOYSA-N 340.427 2.581 10 40 EFCB CCc1ccc(N2C(=O)N=C(O)/C(=C\NN3CCCCC3)C2=O)cc1 9329442 PEEYUMNPSKTPIE-NTCAYCPXSA-N 342.399 2.547 10 40 EFCB C[C@H]1CN(C2=NC(=O)/C(=C\c3cccc([N+](=O)[O-])c3)S2)C[C@H](C)O1 7079538 REEWXXWJLMPGNN-UDDXXMGHSA-N 347.396 2.674 10 40 EFCB CCN(C)c1ccc(CNC(=O)c2ccc(NC(N)=O)cc2)cc1F 69651990 NJIPPUYMXVTNDF-UHFFFAOYSA-N 344.390 2.702 10 40 EFCB COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2cc(C)ccc2F)c1 69696681 IPQUOWZSMDNJIR-NSHDSACASA-N 346.358 2.664 10 40 EFCB CN(C)c1ccc([C@@H](CN)N2CCN(c3ccc(F)cc3)CC2)cc1 19796292 WSRVFTVCIAWWRG-HXUWFJFHSA-N 342.462 2.714 10 40 EFCB NS(=O)(=O)c1ccc(NCc2cc(Cl)cc(Cl)c2O)cc1 21516506 LQYZOJLODAHKHF-UHFFFAOYSA-N 347.223 2.959 10 40 EFCB in-vitro CN(C)c1ccc([C@H]2NC[C@H](COc3ccc([N+](=O)[O-])cc3)O2)cc1 34803469 WRASVXYMXMWGQJ-MSOLQXFVSA-N 343.383 2.727 10 40 EFCB CCN1C(=O)C(=Cc2c[nH]c3ccccc23)C(=O)N(CC)C1=S 8202971 XFZANCFWQAXAEQ-UHFFFAOYSA-N 327.409 2.547 10 40 EFCB CCCc1cc(=O)oc2c(CN[C@@H](C(=O)O)C(C)C)c(O)ccc12 4040213 UPVQCGYGOPISTK-MRXNPFEDSA-N 333.384 2.650 10 40 EFCB biogenic Cc1ccsc1/C=C1\C(=O)NC(=O)N(c2cccc(F)c2)C1=O 408996800 NEGUTUUDNAVOEB-XYOKQWHBSA-N 330.340 2.862 10 40 EFCB COC(=O)c1ccc(C(=O)OC)c(NCc2cccc(OC)c2O)c1 44836331 VOZUXLUADQNZOW-UHFFFAOYSA-N 345.351 2.586 10 40 EFCB CCOC(=O)C1=C(C)NC(=O)/C1=C\Nc1ccc(C(F)(F)F)cc1 95921758 AKOQTAWMFITBNX-WQLSENKSSA-N 340.301 2.968 10 40 EFCB COC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S 2288105 PKOLPWDYCKUXRS-NTMALXAHSA-N 327.452 2.903 10 40 EFCB CC(=O)N[C@@H](c1ccc2c(c1)OCO2)c1ccc2cccnc2c1O 444567 OSGNNLHWJCMJJM-KRWDZBQOSA-N 336.347 2.895 10 40 EFCB CCCC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)NCC(OC)OC 103917499 GFCAZMLEVTUVCO-ATVHPVEESA-N 349.406 2.811 10 40 EFCB Cc1cccc(C)c1N1C(=O)C/C(=C2/C(=O)N(C)c3ccccc32)C1=O 9052274 HSWYSJURJHPTHE-SDXDJHTJSA-N 346.386 2.997 10 40 EFCB O=C(NN1C(=O)CSC1=S)C(c1ccccc1)c1ccccc1 1465606 ZUOSJEINFGLFBA-UHFFFAOYSA-N 342.445 2.710 10 40 EFCB COc1cccc(CNC(=O)NC[C@@H](c2cccs2)N(C)C)c1O 72293210 OYTBTCWPDKCBSD-ZDUSSCGKSA-N 349.456 2.564 10 40 EFCB CCCN1C(=O)/C(=C/c2cc(C)n(-c3cccnc3)c2C)NC1=S 409081798 QPZJAJVDMKHUCH-YBEGLDIGSA-N 340.452 2.957 10 40 EFCB O[C@H]1CCCOC12CCN(Cc1ccc(N3CCCC3)cc1)CC2 257325296 WSIHCGVKIQIXMM-IBGZPJMESA-N 330.472 2.793 10 40 EFCB O=C1NC(=S)S/C1=C/c1ccc(Br)c([N+](=O)[O-])c1 1195590 QLKLHOYVUBQMIE-XBXARRHUSA-N 345.199 2.846 10 40 EFCB Cc1cc(N2CCCCC2)ccc1CN1C[C@H]2C[C@@H](O)CN2C[C@@H]1C 19570601 UOSCXJFIWFRPPX-IOMROCGXSA-N 343.515 2.625 10 40 EFCB O=C1NC(=S)S/C1=C/c1ccc(I)cc1 6511948 LIRUBCDZKKWCPS-VMPITWQZSA-N 347.202 2.780 10 40 EFCB CC1=NN(C(=O)Cc2ccccc2)C(=O)/C1=C\c1ccc([N+](=O)[O-])cc1 17218454 UUPIMSQGFPXGIU-BOPFTXTBSA-N 349.346 2.966 10 40 EFCB COC(=O)c1ccc([C@H](C)N2CCN(c3ccc(OC)cc3)CC2)o1 32825163 JWTNWVJWGXRAEX-AWEZNQCLSA-N 344.411 2.958 10 40 EFCB Cc1nc2c(C(=O)O)cnn2c(O)c1Cc1c(F)cccc1Cl 103795338 PUGYIZAUDUFFAR-UHFFFAOYSA-N 335.722 2.825 10 40 EFCB COc1ccc(N2CCN(C(=O)CNc3ccccc3F)CC2)cc1 12551087 TYMHCDVLGQRGQF-UHFFFAOYSA-N 343.402 2.595 10 40 EFCB O=C1NC(=S)N=C(O)/C1=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1 63056 CBSPOFZVCNWYHL-UHFFFAOYSA-N 343.320 2.609 10 40 EFCB NC(=S)c1ccc(C(=O)NCc2ccc(N3CCCC3)cc2)cc1 58857347 WROFVCWYCHJLRO-UHFFFAOYSA-N 339.464 2.851 10 40 EFCB O=C1NC(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1cccc(Cl)c1 408867736 MSPMFKYHDLIGBG-NTEUORMPSA-N 342.738 2.712 10 40 EFCB CCc1ccc(N2C(=O)NC(=O)/C(=C/c3cccc(O)c3)C2=O)cc1 408984229 IIDGUKKHOMHDPN-WJDWOHSUSA-N 336.347 2.621 10 40 EFCB CCCN(Cc1ccccc1O)C(=O)CNC(=O)/C=C/c1ccco1 66096421 USMLKNAIYBABJT-MDZDMXLPSA-N 342.395 2.553 10 40 EFCB COc1ccc(N2C(=O)/C(=C/c3ccco3)C(=O)N=C2O)cc1Cl 1255907 CYZLYHHQWPPPIM-DHZHZOJOSA-N 346.726 2.812 10 40 EFCB O=C1C[C@H](O)[C@@H]2C(=O)c3c(c(Cl)c4ccccc4c3O)C(=O)[C@@H]2C1 104234397 CBVOWADHBSBAOM-GRYCIOLGSA-N 344.750 2.534 10 40 EFCB CCOCc1cc(CN[C@H]2CCN(C(C)=O)C[C@@H]2C)ccc1OC 89987041 QCCCTVFEOYPKQO-KSSFIOAISA-N 334.460 2.578 10 40 EFCB CC1=NN(c2ccccc2)C(=O)/C1=C\c1cccc(OCC(=O)O)c1 409066786 NZWRDYQMPSJKJB-BOPFTXTBSA-N 336.347 2.956 10 40 EFCB CCCn1cc(/C=C2/C(=O)NC(=S)N(CC)C2=O)c2ccccc21 530467 KVVKEDNANDGFDB-UVTDQMKNSA-N 341.436 2.698 10 40 EFCB Nc1ccc(CCCNc2c(N)nc(N)nc2-c2ccccc2)cc1 13215634 ATVHMSHPHVBZPM-UHFFFAOYSA-N 334.427 2.935 10 40 EFCB O=C1NN(c2cccc(Br)c2)C(=O)/C1=C/c1cccs1 4832978 BYTBTVUPGMKVHA-XYOKQWHBSA-N 349.209 2.972 10 40 EFCB CC(=O)Oc1cccc(C=C2C(=O)OC3(CCCCC3)OC2=O)c1 58865794 NHDMLIZWHGOZJW-UHFFFAOYSA-N 330.336 2.756 10 40 EFCB C[S@](=O)c1ccc(C(=O)NCc2ccc(N3CCCC3)cc2)cc1 28332161 LTWQGQRAXSENFX-XMMPIXPASA-N 342.464 2.954 10 40 EFCB CCOc1ccc2ccccc2c1C=C1C(=O)N(C)C(=O)N(C)C1=O 3045001 YBHQWPUWWZVZLU-UHFFFAOYSA-N 338.363 2.672 10 40 EFCB O=C1NC(=S)N(c2ccc(F)cc2)C(=O)/C1=C\c1cccc(F)c1 478885 ASLAQJMAAYLSAV-ZROIWOOFSA-N 344.342 2.796 10 40 EFCB CCCC1=NN2C(=N)/C(=C/c3cccc(OC)c3O)C(=O)N=C2S1 41083424 XZEZQFUFRNEQOF-QRROGVORSA-N 344.396 2.820 10 40 EFCB CC[C@](C)(CO)NC(=O)Nc1c(-c2ccccn2)nc2ccccn12 585119585 MEOGBTHRVMXSJJ-GOSISDBHSA-N 339.399 2.679 10 40 EFCB Cc1n[nH]c(C)c1CNCc1ccc(N2CCC(CO)CC2)cc1 97160015 MCBDZHSWTKEUII-UHFFFAOYSA-N 328.460 2.525 10 40 EFCB O=C(NCc1cccc(O)c1O)Nc1ccc([C@@H]2CCOC2)cc1 1616039263 ZEXSFWQKJHCNEX-CQSZACIVSA-N 328.368 2.923 10 40 EFCB CCOP(=O)(CCOCCOCCOCCN=[N+]=[N-])OCC 219513879 FPXYMBISZVJSOJ-UHFFFAOYSA-N 339.329 2.613 10 40 EFCB COc1ccc(N2CCC(NC(=O)NCc3nccs3)CC2)cc1 69619759 YAIJJAMIJULZMB-UHFFFAOYSA-N 346.456 2.620 10 40 EFCB Cc1nc2c(N3CC=C(c4c[nH]c5ncccc45)CC3)ncnc2[nH]1 72240938 ZCAPNRVPNTXEMN-UHFFFAOYSA-N 331.383 2.831 10 40 EFCB Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3ccc(O)cc3)C2=O)c1 4209061 GQTFFEZMTJLLSK-MHWRWJLKSA-N 336.347 2.675 10 40 EFCB O=S(=O)(Nc1ccc(F)c(Cl)c1)c1cccc2nonc12 14256147 ARLDESJPKBSEPK-UHFFFAOYSA-N 327.724 2.816 10 40 EFCB N=C1/C(=C/c2ccc(O)cc2)C(=O)N=C2SC(c3ccco3)=NN12 41076779 IZPQCZVXRYOFQI-ZWGDPFMXSA-N 338.348 2.653 10 40 EFCB CC(=O)N1CCO[C@H](c2cc(N(C)c3ccccc3F)nc(C)n2)C1 257200281 ACSVMPCQPILCBL-KRWDZBQOSA-N 344.390 2.612 10 40 EFCB COC(=O)CSc1sc(C(=O)OC)c(O)c1C(F)(F)F 99026 HACRDSTWVCAUQY-UHFFFAOYSA-N 330.305 2.524 10 40 EFCB CC(C)c1ccc(-c2nnn(CC(=O)c3ccc(O)c(O)c3)n2)cc1 31713324 FFFIBCWNSCBPAC-UHFFFAOYSA-N 338.367 2.758 10 40 EFCB CCOc1ccc(N/C=C2\C(=O)N=C(S)N([C@@H](C)CC)C2=O)cc1 103099591 VBMPSMMXPIZFGM-IWQAVIMZSA-N 347.440 2.834 10 40 EFCB COc1ccc(OC)c(N/C=C2/C(=O)N(C(C)(C)C)C(=O)N=C2O)c1 103122209 BLWZLZMXJXPXCT-PKNBQFBNSA-N 347.371 2.717 10 40 EFCB CCn1nnc2cc(C(=O)N(C)Cc3ccc(N(C)C)cc3)ccc21 23744425 NYQLKLUQEDTYMZ-UHFFFAOYSA-N 337.427 2.789 10 40 EFCB C[C@@H]1CN(c2ccc(CNC(=O)C(F)(F)F)cc2F)C[C@@H](C)O1 58228271 RQBYVIQBVBUIRT-NXEZZACHSA-N 334.313 2.618 10 40 EFCB COc1ccc(N2CCC(N(C)C(=O)[C@@H](C)OCC3CC3)CC2)cc1 79335673 JVLRFVRSTKMHSA-OAHLLOKOSA-N 346.471 2.938 10 40 EFCB O=C(NN1C(=O)/C(=C/c2ccc[nH]2)SC1=S)C1CCCCC1 5552782 PEPDXGTXNDZWQT-XFXZXTDPSA-N 335.454 2.827 10 40 EFCB COc1ccc(C2=NN(C=O)[C@H](c3ccccc3O)C2)cc1OC 226758835 ZMSYTMHDXYBYHU-HNNXBMFYSA-N 326.352 2.717 10 40 EFCB CCOC(=O)CN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S 1277061 VBBAMHWYEDFCSJ-XFFZJAGNSA-N 325.386 2.590 10 40 EFCB CN(C)c1ccc(/C=C2\C(=O)NN(c3cccc(Cl)c3)C2=O)cc1 344826 ZUNZPFZBMJMPSD-MHWRWJLKSA-N 341.798 2.867 10 40 EFCB Cc1cc(N2CCCC2)ccc1/C=C1\SC(=O)N(CC(=O)O)C1=O 408959751 FGGHJBGUIVDKHC-ZROIWOOFSA-N 346.408 2.716 10 40 EFCB C[C@@H](NCc1cccnc1)c1ccc(N2CCN(C)CC2)c(F)c1 65462486 UVARSAUGSSCAGT-OAHLLOKOSA-N 328.435 2.823 10 40 EFCB COc1cccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c1 188897 QGMHGXKUPAOJJV-LFIBNONCSA-N 336.347 2.670 10 40 EFCB CCOc1ccc(C=C2C(=O)OC3(CCCC3)OC2=O)cc1OC 1405981 NZMIWZJXBIHNAP-UHFFFAOYSA-N 332.352 2.848 10 40 EFCB Cc1ccc2c(c1)nc1s/c(=C\c3ccc(N(C)C)cc3)c(=O)n12 5818474 VRDFZCQLHGVJFL-BOPFTXTBSA-N 335.432 2.831 10 40 EFCB CCc1nc2n(n1)C[C@H](NCc1ccc(N3CCCCC3)cc1)CC2 69922043 KMRUCCDKAOSXQL-QGZVFWFLSA-N 339.487 2.935 10 40 EFCB CNc1ccccc1C(=O)N1CCN(c2ccc(OC)cc2)CC1 480358 DCCXQDNLIIZIPN-UHFFFAOYSA-N 325.412 2.699 10 40 EFCB C[C@H]1Cc2cc(/C=C3/SC(=S)N(CCC(=O)O)C3=O)ccc2O1 2346652 QRFKSPGPDDXUED-ITTMYVLYSA-N 349.433 2.686 10 40 EFCB COCCN1C(=O)c2ccccc2N[C@H]1c1cc(O)c(O)c(Cl)c1 48325054 AATCJYJVBBWWLJ-MRXNPFEDSA-N 348.786 2.964 10 40 EFCB OCC1CCN(c2ccc(CNc3cncc(Cl)n3)cc2)CC1 53573681 KCXQVGADDXZBBB-UHFFFAOYSA-N 332.835 2.951 10 40 EFCB CC(=O)NCc1ccc(C(=O)N(C)Cc2ccc(N(C)C)cc2)cc1 40463103 JFJODNKRTRXHDK-UHFFFAOYSA-N 339.439 2.661 10 40 EFCB Oc1cc2c(cc1CN1CCN(Cc3ccccc3F)CC1)OCO2 23254207 DCCDUAJUYAXQDZ-UHFFFAOYSA-N 344.386 2.578 10 40 EFCB O=C1C(=O)[C@](Br)(c2ccccc2)C(=O)[C@H]1c1ccccc1 1722472 IBGCUUFUSPBCOE-GUYCJALGSA-N 343.176 2.782 10 40 EFCB COc1ccc2c(c1O)CN(C)C[C@@H]2Cc1cccc(O)c1OC 3848601 FRTDCTHKRLVRLZ-ZDUSSCGKSA-N 329.396 2.887 10 40 EFCB biogenic COc1ccc2c(c1O)CN(C)C[C@H]2Cc1cccc(O)c1OC 3848599 FRTDCTHKRLVRLZ-CYBMUJFWSA-N 329.396 2.887 10 40 EFCB biogenic C[C@H](OC(=O)/C=C/c1ccc2c(c1)CCCN2C)C(=O)N1CCCC1 64184018 DWXRJAIJWQDFQV-HQPKTYMTSA-N 342.439 2.636 10 40 EFCB CCc1ccc(/C=C2\C(=O)N(CCCOC)C(C)=C2C(=O)OC)cc1 409051461 AJSJNGNMUUPOEP-LGMDPLHJSA-N 343.423 2.958 10 40 EFCB C[C@H]1CCCN(c2ccc(CNC(=O)C3CCN(C)CC3)cc2)C1 216924582 FUMBULMBJHZKKZ-INIZCTEOSA-N 329.488 2.881 10 40 EFCB CN(C)/C=C1/C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1c1ccccc1 13115429 JFMXGJMLYHUYNS-FOWTUZBSSA-N 336.351 2.791 10 40 EFCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc1C 16282815 YQWRHNUSPBPLSG-RVDMUPIBSA-N 336.347 2.670 10 40 EFCB COc1cccc(CN2CCC(C(=O)NCCC(C)C)CC2)c1O 299336 PLBRFONESMBHTD-UHFFFAOYSA-N 334.460 2.775 10 40 EFCB O=C(CC[C@H]1CCCO1)NCc1ccc(N2CCSCC2)cc1 48367289 SXMIJLHJPZZHKT-QGZVFWFLSA-N 334.485 2.815 10 40 EFCB Cc1ccc(N2C(=O)/C(=C/N3CCOCC3)SC2=S)c(C)c1 32109266 HBYGFWSKXGNGKU-UVTDQMKNSA-N 334.466 2.842 10 40 EFCB N[C@H](CC(=O)O)C(=O)OCc1cccc(/N=N/c2ccccc2)c1 6514501 GMOCWGFCIIQJFL-FZFLATATSA-N 327.340 2.947 10 40 EFCB CCOc1cc([N+](=O)[O-])cc(/C=C2/SC(=S)N(C)C2=O)c1O 27496644 RGCITLDCUZLGJV-BJMVGYQFSA-N 340.382 2.530 10 40 EFCB Nc1c(C(=O)N2CCCCC2)ccc2c1C(=O)c1ccccc1C2=O 4253560 UDCDRYXJVMHNHQ-UHFFFAOYSA-N 334.375 2.670 10 40 EFCB CCSc1c(C(=O)NC)ccc2c1C(=O)c1ccccc1C2=O 4573249 SLCLFCFWDHBVAX-UHFFFAOYSA-N 325.389 2.934 10 40 EFCB CCOC(=O)[C@H](C)N1C(=O)S/C(=C\c2ccc(N(C)C)cc2)C1=O 981304 BBZIRHNYGULORJ-HKLRHMNMSA-N 348.424 2.741 10 40 EFCB Cc1cc(O)c(CN2CCC[C@@H](C(=O)Nc3nncs3)C2)cc1C 58416012 GMJFXXJYLWKHAW-CYBMUJFWSA-N 346.456 2.711 10 40 EFCB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccccc1F 10906857 BRHSCAOETUOTKS-UHFFFAOYSA-N 328.387 2.935 10 40 EFCB Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1cc(F)ccc1C 96407046 KIGMQLAPFXGBQF-UHFFFAOYSA-N 343.402 2.763 10 40 EFCB Cc1ccc(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)n1C 72287592 JXWDKYLVNPFGBA-INIZCTEOSA-N 328.412 2.861 10 40 EFCB O=C(O)CSC1=N[C@@H](c2ccccc2O)C[C@@H](C(F)(F)F)N1 12844509 LXCZXNINECDTTR-SCZZXKLOSA-N 334.319 2.531 10 40 EFCB COc1ccc(N2CCN(C(=S)c3ccc(O)cc3)CC2)cc1 9331357 NJJIKAMSRVNJEG-UHFFFAOYSA-N 328.437 2.899 10 40 EFCB O=C1OC2(CCCCC2)OC(=O)C1=Cc1cc([N+](=O)[O-])ccc1F 59489865 HPTSZVZJPAVWON-UHFFFAOYSA-N 335.287 2.878 10 40 EFCB COC(=O)c1ccc(/C=C2/SC(NC3CCCC3)=NC2=O)cc1 6913936 XIEBPMMEQSISEQ-GXDHUFHOSA-N 330.409 2.976 10 40 EFCB CN1CCCc2cc(CNC(=O)c3ccnc(-n4ccnc4)c3)ccc21 57550300 MLGXYQBLDHYUPR-UHFFFAOYSA-N 347.422 2.580 10 40 EFCB CC(=O)[C@@H](/N=N/c1ccccc1)C(=O)CS(=O)(=O)c1ccccc1 104375149 BQVGYMJSUMKDRJ-WQYLVOBCSA-N 344.392 2.771 10 40 EFCB COc1ccc(-n2c(C)cc(C(=O)NC3=NCCS3)c2C)cc1 14093848 IDZNTBQMCDXXSX-UHFFFAOYSA-N 329.425 2.935 10 40 EFCB COC(=O)c1cc(/N=N/c2ccc(S(=O)(=O)O)cc2)ccc1O 504752305 ZEBHKQBYGGQUAV-FOCLMDBBSA-N 336.325 2.841 10 40 EFCB in-vitro C[C@@H](NCCCN1CCCC1=O)c1cc(Br)ccc1O 95469444 SQIBCYYXABPDJP-LLVKDONJSA-N 341.249 2.818 10 40 EFCB Cc1cc(C)nc(SCC(=O)NCc2ccc(N(C)C)c(F)c2)n1 58971802 QVIYFDZSKONUMH-UHFFFAOYSA-N 348.447 2.707 10 40 EFCB COc1ccc(/C=C2\C(=O)N(C(=O)c3ccccc3O)N=C2C)cc1 13780823 LZEFZWQMDTZXAX-WJDWOHSUSA-N 336.347 2.843 10 40 EFCB CCc1nn2c(=O)cc(CN(CC)c3ccc(OC)cc3)nc2s1 15731835 IQCWFTXNQXVDGI-UHFFFAOYSA-N 344.440 2.749 10 40 EFCB CN1C(=O)NC(=O)/C(=C\c2ccc(-c3cccc(Cl)c3)o2)C1=O 446669 GGSPVYFMLPFWTL-XYOKQWHBSA-N 330.727 2.692 10 40 EFCB CO[C@@H](C)CCOc1cc(O)c2c(c1N)C(=O)c1ccccc1C2=O 4830682 HVZBJZYBDPIRGH-JTQLQIEISA-N 341.363 2.554 10 40 EFCB CC(C)=C1SC(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)=NC1=O 5488138 FUDANNIOWQDPCE-UHFFFAOYSA-N 346.412 2.640 10 40 EFCB CCOC(=O)[C@@H]1Cc2ccccc2CN1Cc1ccc(O)c(O)c1 199415981 OZOZCAHLRZARPL-INIZCTEOSA-N 327.380 2.588 10 40 EFCB O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C\C=C\Nc1ccccc1 2296253 PWHCUBSAHHFKLU-QDIIEIGVSA-N 333.347 2.822 10 40 EFCB COc1ccc(N2CCN(C(=O)COc3cccc(F)c3)CC2)cc1 3607930 YYQAJRYKYQWFRJ-UHFFFAOYSA-N 344.386 2.562 10 40 EFCB CCCCN1C(=O)NC(=O)/C(=C/N[C@H]2C[C@H]3CC[C@]2(C)C3(C)C)C1=O 33849472 CZDQBOZKBPDLHX-WQEGZOHGSA-N 347.459 2.553 10 40 EFCB CN1C(=S)N(c2cccnc2)C(=O)/C1=C\c1ccc(N(C)C)cc1 5938921 KBCOQZNLIMYAJN-LFIBNONCSA-N 338.436 2.752 10 40 EFCB Cc1ccccc1[C@@H](C)NC(=O)c1cc(NS(C)(=O)=O)ccc1O 55106948 WCOQRDWGZCNLBQ-GFCCVEGCSA-N 348.424 2.563 10 40 EFCB Cc1cc(NCc2ccc(N3CCC(O)CC3)c(F)c2)nc(C)n1 48363688 BAFMOQIBQOQNRS-UHFFFAOYSA-N 330.407 2.806 10 40 EFCB Cc1cc(C(=O)CN2CCN(C)CC2)c(C)n1-c1ccc(F)cc1 22885323 PQRHBVIZJIAAJQ-UHFFFAOYSA-N 329.419 2.663 10 40 EFCB Cc1cc(C(=O)COc2ccccc2C(N)=O)c(C)n1-c1ccccn1 15366338 PZWYQNMNMHQXSI-UHFFFAOYSA-N 349.390 2.850 10 40 EFCB Cc1ccc(-n2c(C)cc(/C=C/C(=O)NCC[S@](C)=O)c2C)cc1 78764267 WVVFJKUSFFPWKQ-VFUOJUBFSA-N 344.480 2.910 10 40 EFCB CCOc1cn(-c2ccc(N)cc2)nc1C(=O)NCc1ccccc1 97673636 LOLFVJLFPCYWPB-UHFFFAOYSA-N 336.395 2.783 10 40 EFCB Cc1ncc(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)s1 96410492 MGWRHVQUHPXGOB-CQSZACIVSA-N 332.425 2.979 10 40 EFCB CC(C)C(=O)N1CC2(CCN(Cc3ccc(N(C)C)cc3)CC2)C1 96070978 LTEJQHDRGJIRGE-UHFFFAOYSA-N 329.488 2.833 10 40 EFCB C[C@@H]1CN(C2=NC(=O)/C(=C/c3ccc(N(C)C)cc3)S2)C[C@@H](C)O1 999686 OETWZDSBKLQHGE-LINIDBDUSA-N 345.468 2.832 10 40 EFCB CSCC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 81203093 OHHISFYPWIZJJW-NSHDSACASA-N 330.400 2.736 10 40 EFCB O=S(=O)(O)c1ccc(/N=N/c2cccc(S(=O)(=O)O)c2)cc1 3845143 PLXKLRPLQPIPQP-BUHFOSPRSA-N 342.354 2.595 10 40 EFCB CC(=O)N1CCN(C(=O)c2cc(C)n(-c3ccccc3F)c2C)CC1 32906305 DGGAYWZPWUBTSL-UHFFFAOYSA-N 343.402 2.538 10 40 EFCB CCNC(=O)CSc1ncc(-c2ccccc2)n1C[C@H]1CCCO1 11641408 RNYDVFBSXVKRTN-OAHLLOKOSA-N 345.468 2.957 10 40 EFCB COc1ccc(Cl)cc1NS(=O)(=O)c1cccc2nonc12 14257068 BFYDOTDHYCHTHH-UHFFFAOYSA-N 339.760 2.686 10 40 EFCB CN(CC(=O)NCc1ccc(F)cc1)Cc1ccc(N(C)C)cc1 7361087 PLTDZCIMKFXESR-UHFFFAOYSA-N 329.419 2.640 10 40 EFCB CCCN1C(=O)N/C(=C\c2ccc(-c3cccc(C(=O)O)c3)o2)C1=O 409244170 YVSIDVYMHGTOJM-UVTDQMKNSA-N 340.335 2.948 10 40 EFCB CCn1cc(NC(=O)NCc2ccc(N3CCSCC3)cc2)cn1 44971346 XDQANQVYZQPABE-UHFFFAOYSA-N 345.472 2.778 10 40 EFCB COCCN/C(C)=C1\C(=O)N(c2nc3ccccc3s2)N=C1C 100423002 GAOTXOCTCZHIIF-UVTDQMKNSA-N 330.413 2.529 10 40 EFCB CCOCCCN/C(C)=C1\C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1C 17072081 NPXOEYBICUQNJA-VBKFSLOCSA-N 346.387 2.608 10 40 EFCB Cc1occc1C(=O)N1CCN(Cc2cc3c(cc2O)CCC3)CC1 64537244 GYWSRKMPUWGSFI-UHFFFAOYSA-N 340.423 2.740 10 40 EFCB O=C1NN(c2cccc(Cl)c2)C(=O)/C1=C\c1ccc2c(c1)OCO2 5671164 OJFSYFMRKCXGDD-MLPAPPSSSA-N 342.738 2.530 10 40 EFCB