smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features C[C@H](O)C(=O)N1CCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CC1 765648456 KTARECSMVSYPHX-VIFPVBQESA-N 350.331 -0.045 10 10 FBCE COC(=O)CN(CCN1CCOCC1)C(=O)Cc1ccc(O)c(O)c1 1144066648 RMAHOIKJUZCNIL-UHFFFAOYSA-N 352.387 -0.026 10 10 FBCE COc1ccc(N2CC[C@@H](NC(=O)C(=O)N[C@@H](C)C(=O)N(C)C)C2)cc1 1328099298 ZJTCFWDWYKEEBE-QWHCGFSZSA-N 362.430 -0.017 10 10 FBCE O=C(Cc1ccc(O)c(O)c1)N1CCN(S(=O)(=O)c2nc[nH]n2)CC1 1466780037 VKPAGKQFVBZAAW-UHFFFAOYSA-N 367.387 -0.709 10 10 FBCE COc1ccc(N2CC[C@@H](NC(=O)C(=O)NCCOCCCN)C2)cc1 861809542 STJGEDRDXDCYSQ-CQSZACIVSA-N 364.446 -0.128 10 10 FBCE COc1ccc(N2CC[C@@H](NC(=O)C(=O)NCc3ncn(C)n3)C2)cc1 1328955225 XITPTFFVUUUWOB-GFCCVEGCSA-N 358.402 -0.165 10 10 FBCE CN1CCO[C@@H](C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)C1=O 1544929784 OAPLNSXFQVMTLU-HOCLYGCPSA-N 374.441 -0.138 10 10 FBCE C[C@H](NC(=O)Cc1ccc(O)c(O)c1)C(=O)N1CCS(=O)(=O)CC1 1632490569 HDJZFVCDBQHWNJ-JTQLQIEISA-N 356.400 -0.598 10 10 FBCE CN1CCN(C(=O)C(=O)NCc2ccc(N3CCOCC3)cc2)CCC1=O 1328272515 HZFNUVCYSUGVDF-UHFFFAOYSA-N 374.441 -0.170 10 10 FBCE Cn1nnc(CNC(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)n1 1470030820 BXUYWSJLYALTEM-UHFFFAOYSA-N 372.433 -0.089 10 10 FBCE COc1ccc(N2CCN(C[C@H](O)CN3C[C@H](O)[C@@H](CO)C3)CC2)cc1 1473538731 XLOZWVLYBQOXHL-AYBZRNKSSA-N 365.474 -0.537 10 10 FBCE NCC12CC(CN1C(=O)C(=O)C(=O)C(=O)N1CC[C@@H](c3cccnc3)C1)C2 1333653498 DSTAQTVVRVVCBC-GBRVTDDUSA-N 370.409 -0.515 10 10 FBCE O=C(/C=C\c1ccc(O)c(O)c1)O[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1O 101110232 GYFFKZTYYAFCTR-XYXZIBEBSA-N 354.311 -0.646 10 10 FBCE O=C1CCN(C(=O)C(=O)NCc2ccc(N3CCC(O)CC3)cc2)CCN1 1328213693 NHJUYRUUHBXXRS-UHFFFAOYSA-N 374.441 -0.388 10 10 FBCE CN(C)c1ccc([C@H](CNC(=O)NCCS(N)(=O)=O)N(C)C)cc1 1685609629 OTYJFLYTQFOPHD-AWEZNQCLSA-N 357.480 -0.057 10 10 FBCE CCN(C)C(=O)CNC(=O)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 829136484 JRJRZQFSSKPEGY-ZDUSSCGKSA-N 362.430 -0.015 10 10 FBCE CCOc1ccc(N2C(=O)NC(=O)C(=CNC(C)(CO)CO)C2=O)cc1 2297314345 BAFRQJQVFVUNMJ-UHFFFAOYSA-N 363.370 -0.115 10 10 FBCE CN1C(=O)[C@@H]2[C@H](c3cc(Cl)ccc3O)N[C@](CO)(C(=O)O)[C@@H]2C1=O 248064994 VWNJGJMELCBRNY-VEABSNGSSA-N 354.746 -0.263 10 10 FBCE CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCS(=O)(=O)CCO2)c1 1607733081 XSFGBXSOWWZCBZ-UHFFFAOYSA-N 364.401 -0.434 10 10 FBCE COc1ccc(N2CCN(C[C@@H](O)CNC[C@](C)(O)CO)CC2)cc1 843081678 SMUHMHCDDWUNGX-WMZOPIPTSA-N 353.463 -0.489 10 10 FBCE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CCOc2nnc(=N)[nH]n2)C1 2219014611 HLBARNMKIDZFIC-VIFPVBQESA-N 374.423 -0.518 10 10 FBCE O=C(/C=C\c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@@H]1O 13549141 CWVRJTMFETXNAD-KFUKKDEASA-N 354.311 -0.646 10 10 FBCE endogenous,in-man CCN1CCN(c2ccc(CNC(=O)[C@@H](CO)NC(N)=O)cc2F)CC1 1144592698 OOTNMEOSYQBYOJ-CQSZACIVSA-N 367.425 -0.387 10 10 FBCE O=S(=O)(NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@@H]1COC[C@H]1O 914144668 FPKUHEOXPHQCSM-HZPDHXFCSA-N 374.434 -0.034 10 10 FBCE COCCNC(=O)CN1CCN(C(=O)Cc2ccc(O)c(O)c2)CC1 1135702581 GAFPKGFNVBXTKY-UHFFFAOYSA-N 351.403 -0.453 10 10 FBCE CC(C)(C)OC(=O)NC(CO)(CO)CNC(=O)c1cc(O)nc(O)c1 2258305112 OLAIJQPRLDIOTR-UHFFFAOYSA-N 357.363 -0.529 10 10 FBCE CNS(=O)(=O)NCC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 822786542 RMJBPVPVVGZODY-LBPRGKRZSA-N 356.448 -0.246 10 10 FBCE O=C(CCn1cnnn1)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 1585893852 BSZXQYJEUYGTOK-UHFFFAOYSA-N 364.431 -0.386 10 10 FBCE CN1C[C@@H](C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)NC1=O 822759650 WAFUCGLDBVVUFN-AWEZNQCLSA-N 366.443 -0.439 10 10 FBCE CC(C)N1C[C@@H](C(=O)NCCNC(=O)c2cc(O)c(O)c(O)c2)CC1=O 169838987 HWFBNDAHKUZQPK-NSHDSACASA-N 365.386 -0.094 10 10 FBCE Cn1nccc1C1(O)CN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)C1 1455139859 YHBQQDZAPCUYMN-UHFFFAOYSA-N 366.399 -0.159 10 10 FBCE COCCNC(=O)C(=O)NCCN1CCN(c2ccc(OC)cc2)CC1 56966387 LPGSVZMSHAEUEC-UHFFFAOYSA-N 364.446 -0.304 10 10 FBCE CC(=O)C(=O)COC(=O)[C@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 808526946 VPOICSGIORBYBH-NSHDSACASA-N 363.775 -0.320 10 10 FBCE CNS(=O)(=O)NCC(=O)NCc1cc(Br)ccc1O 804735364 WBKPABWPEHARAI-UHFFFAOYSA-N 352.210 -0.175 10 10 FBCE COc1ccc(S(=O)(=O)NCC(=O)OCC(=O)C(C)=O)cc1OC 808498704 YRNZUJWPMXVKNE-UHFFFAOYSA-N 359.356 -0.317 10 10 FBCE O=C(CCNC(=O)c1c(F)ccc(O)c1O)N[C@H]1CCS(=O)(=O)C1 1641160178 PLAZCFAAMBKBQC-QMMMGPOBSA-N 360.363 -0.340 10 10 FBCE O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C=C(C(=O)O)O[C@H](C(=O)O)[C@H]1O 230083346 ZQFOLQKZDARIIB-OQONQOMPSA-N 366.278 -0.164 10 10 FBCE biogenic CNS(=O)(=O)NCC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 822786540 RMJBPVPVVGZODY-GFCCVEGCSA-N 356.448 -0.246 10 10 FBCE COCCO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cc(CN=[N+]=[N-])c(O)nc1=O 2356096730 QMXGFTMABVXOMP-DNRKLUKYSA-N 357.323 -0.959 10 10 FBCE Cn1nnc(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)n1 1130979843 HSQKTTXDOABLBA-UHFFFAOYSA-N 350.404 -0.625 10 10 FBCE COc1ccc(N2CC[C@@H](NC(=O)CN3C(=O)C(=O)N(C)C3=O)C2)cc1 855230313 GEHHFKKANZCUJP-LLVKDONJSA-N 360.370 -0.189 10 10 FBCE CC(C)N1CCc2c(c3ccccc3n2CC(=O)NC(C(N)=O)C(N)=O)C1 435915487 RASKPJYYNNZQDX-UHFFFAOYSA-N 371.441 -0.137 10 10 FBCE COCCN1[C@H]2CN(Cc3ccc(O)c(O)c3)C[C@@H]2OCCS1(=O)=O 1615635580 YPKYAXYKNRTQDY-BBRMVZONSA-N 372.443 -0.041 10 10 FBCE C[C@@H](CNC(=O)NCc1ccc(N2CCN(C)CC2)cc1)S(N)(=O)=O 1565273198 PTGXEMTTYGJDDJ-ZDUSSCGKSA-N 369.491 -0.085 10 10 FBCE O=C(NCCCn1ccnn1)C(=O)NCc1ccc(N2CCOCC2)cc1 788323304 LOQCMBBMSQUXHC-UHFFFAOYSA-N 372.429 -0.063 10 10 FBCE CCCN(Cc1ccccc1O)C(=O)C(=O)NC[C@@H](C)S(N)(=O)=O 784026673 XUKSCJMJCFEIFA-LLVKDONJSA-N 357.432 -0.076 10 10 FBCE CN(C)c1ccc([C@H](N)CNC(=O)/C=C\c2cn(C)c(=O)n(C)c2=O)cc1 843298808 QCRSUTRJBIZLHG-BSDKJSHOSA-N 371.441 -0.021 10 10 FBCE COc1ccc(N2CCN(C[C@H](O)CN3CC[C@@H](O)[C@@H](O)C3)CC2)cc1 879610613 TZYCLZWYROTOOM-UHOSZYNNSA-N 365.474 -0.394 10 10 FBCE NC(=O)C1CCN(c2ccc(CNC(=O)CN3CCNC(=O)C3)cc2)CC1 1652071190 QLRNNCRROWWXJW-UHFFFAOYSA-N 373.457 -0.564 10 10 FBCE COc1ccc(CNC(=O)NC2CN(S(=O)(=O)N(C)C)C2)c(O)c1 1684434407 ALTXBJCWTUZSLZ-UHFFFAOYSA-N 358.420 -0.309 10 10 FBCE COc1cc(C(=O)N[C@H](C)CCNC(=O)[C@H]2C[C@H]2C(N)=O)cc(OC)n1 1527787514 UCYBPWQYOGFGOK-JLLWLGSASA-N 364.402 -0.155 10 10 FBCE Cn1c(=O)c2c(ncn2CCNCC(=O)c2ccc(O)c(O)c2)n(C)c1=O 31559599 MJONUHGXWMUDTE-UHFFFAOYSA-N 373.369 -0.683 10 10 FBCE O=C1C[C@H](CCNC(=O)C(=O)NCc2ccc(N3CCOCC3)cc2)CN1 1262227253 XLYJQWQOTNRZDW-HNNXBMFYSA-N 374.441 -0.218 10 10 FBCE O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1[C@@H](O)C[C@](O)(C(=O)O)C[C@@H]1O 100161486 GYFFKZTYYAFCTR-KJOPMHRFSA-N 354.311 -0.646 10 10 FBCE CC(=O)N[C@H]1[C@@H](N=[N+]=[N-])O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O 198729293 RMCFMPMNMQZHSF-RGDJUOJXSA-N 372.334 -0.047 10 10 FBCE CC(=O)N1CCN(c2ccc(CNC(=O)[C@H]3CN(C)C(=O)N3)cc2)CC1 832794344 MJRDEEZTLBNJFB-MRXNPFEDSA-N 359.430 -0.005 10 10 FBCE COc1ccc(N(CCC(N)=O)CC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 8726530 YXVJSCCPDJBQCW-GFCCVEGCSA-N 369.443 -0.320 10 10 FBCE CC(=O)C(=O)COC(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C 808498866 YRKZGKRKKHCPKI-UHFFFAOYSA-N 358.372 -0.639 10 10 FBCE CC(=O)N[C@H]1[C@H](N=[N+]=[N-])O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O 96031245 RMCFMPMNMQZHSF-RKQHYHRCSA-N 372.334 -0.047 10 10 FBCE O=C(NCc1ccc(O)cc1O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 1630302364 ZCYGAQJWEIIKKF-VXGBXAGGSA-N 368.411 -0.250 10 10 FBCE CN(C)c1ccc([C@H](CNC(=O)c2cn(CC(N)=O)nn2)N(C)C)cc1 1539705887 IJWRMMQJGCTCTI-HNNXBMFYSA-N 359.434 -0.138 10 10 FBCE O=C(/C=C/c1ccc(O)c(O)c1)O[C@@]1(C(=O)O)C[C@H](O)[C@@H](O)[C@H](O)C1 255975329 GWTUHAXUUFROTF-DHLOTTMOSA-N 354.311 -0.646 10 10 FBCE biogenic COc1ccc(N2CCN(C[C@@H](O)CN3CC(C)(C(N)=O)C3)CC2)cc1 829069542 BTUCQYXOAAKKPE-MRXNPFEDSA-N 362.474 -0.015 10 10 FBCE COc1ccc2c(n1)N(C)CCN2C(=O)/C=C\c1cn(C)c(=O)n(C)c1=O 928397462 PSTZSBBBVRHTTA-YVMONPNESA-N 371.397 -0.016 10 10 FBCE O=C(CCOC1CNC1)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 827388402 GMISPEWYACTWRR-UHFFFAOYSA-N 367.471 -0.084 10 10 FBCE CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)Cc1ccc(O)c(O)c1 1441392953 FPNVJRWWASCAAW-NSHDSACASA-N 356.400 -0.598 10 10 FBCE CC(=O)N[C@@H]1[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)O[C@H]1N=[N+]=[N-] 616583453 RMCFMPMNMQZHSF-XGFWRYKXSA-N 372.334 -0.047 10 10 FBCE CC(=O)N1CCN(c2ccc(CNC(=O)Cn3nnc(N)n3)cc2)CC1 1616253069 ZRQKHPXTHCUKNV-UHFFFAOYSA-N 358.406 -0.760 10 10 FBCE NC[C@@H]1CC(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)=NO1 852859898 DMQCPJKCSTXTQG-AWEZNQCLSA-N 366.443 -0.359 10 10 FBCE CCOC(=O)c1cnn2c(O)cc(CN3CCO[C@H](CC(N)=O)C3)nc12 860011959 DOMNVVLPTRTZLW-LLVKDONJSA-N 363.374 -0.312 10 10 FBCE CNC(=O)NC[C@@H]1CN(CC(=O)NCc2ccc(N(C)C)cc2)CCO1 859491037 RJXHXIXTGCCTBW-MRXNPFEDSA-N 363.462 -0.001 10 10 FBCE CNS(=O)(=O)NCC(=O)NCc1ccc(N2CCOCC2)c(F)c1 774380949 PQYZOSZGNJMTMO-UHFFFAOYSA-N 360.411 -0.668 10 10 FBCE COC(=O)[C@@H]1CN(C)C(=O)CN1CC(=O)NCc1ccc(N(C)C)cc1 1655802946 VOFFKFHZZRPGDI-HNNXBMFYSA-N 362.430 -0.316 10 10 FBCE CN1CCn2nc(C(=O)NCc3c(O)cccc3O)cc2S1(=O)=O 1456325970 VLKQOZUVWGMUBW-UHFFFAOYSA-N 352.372 -0.142 10 10 FBCE CS(=O)(=O)NC[C@@H]1COCCN1C(=O)/C=C\c1ccc(O)c(O)c1 863554420 YULANFLTBPGGHA-KTLBGCOUSA-N 356.400 -0.112 10 10 FBCE CC(=O)N1CCN(c2ccc(CNC(=O)CN3CCOCC3=O)cc2)CC1 280517214 QSDGEPBCDGDUIQ-UHFFFAOYSA-N 374.441 -0.170 10 10 FBCE N=C(N)NNC=C1C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O 2297056752 UZPAECHZLFGQRQ-UHFFFAOYSA-N 367.163 -0.097 10 10 FBCE COc1nc(CNC(=O)CN2C(=O)CSC2=S)nc(N(C)C)n1 585288420 AHHPMNSTOWTECF-UHFFFAOYSA-N 356.433 -0.577 10 10 FBCE C[C@H]1C(=O)N(C)CN1C(=O)C(=O)NCc1ccc(N2CCOCC2)cc1 834582679 YZZKSBRBRCBHTK-ZDUSSCGKSA-N 360.414 -0.214 10 10 FBCE COCCN1[C@H]2CN(Cc3ccc(O)c(O)c3)C[C@H]2OCCS1(=O)=O 1615635585 YPKYAXYKNRTQDY-XJKSGUPXSA-N 372.443 -0.041 10 10 FBCE Cn1c(=O)c2cc(C(=O)NCc3ccc(O)cc3O)cnc2n(C)c1=O 1162271450 FXGPCWCJWLDLDX-UHFFFAOYSA-N 356.338 -0.027 10 10 FBCE CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCN3CCOC[C@H]3C2)c1 371864378 LHHAXIVRJFBBLJ-GFCCVEGCSA-N 355.416 -0.080 10 10 FBCE COc1ccc(N2CC[C@H](NC(=O)Cn3ccc(=O)n(C)c3=O)C2)cc1 855231630 KMNXYTLRRNGCRB-ZDUSSCGKSA-N 358.398 -0.049 10 10 FBCE COC(=O)[C@@H]1C[C@H](N2C(=O)CNC2=O)CN1C(=O)Cc1ccc(N)cc1 857007601 PQDHCAJJBYYIKD-STQMWFEESA-N 360.370 -0.494 10 10 FBCE CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=C(C)NC(CO)(CO)CO 2313466149 DQXYKIVTOXMNLB-UHFFFAOYSA-N 364.358 -0.103 10 10 FBCE O=C1NC(=O)N(c2ccccc2F)C(=O)C1=CNCCN1CCNCC1 2295924422 XEIBIIGFCTUGBU-UHFFFAOYSA-N 361.377 -0.213 10 10 FBCE O=C(CN1C[C@@H](O)C[C@@H](O)C1)NCc1ccc(N2CCOCC2)c(F)c1 752095930 WHDQSBPZMFRMNF-GASCZTMLSA-N 367.421 -0.294 10 10 FBCE COc1ccc(N2CCN(C[C@@H](O)CN3CCOC[C@@H](O)C3)CC2)cc1 830638794 SQXKHAAMUZVZNS-MSOLQXFVSA-N 365.474 -0.129 10 10 FBCE CN1CCn2ncc(C(=O)NCc3c(O)cccc3O)c2S1(=O)=O 1156885633 LFMODXCFHRCLDZ-UHFFFAOYSA-N 352.372 -0.142 10 10 FBCE O=C(O)C[C@H](C(=O)O)[C@@H]1c2c(cc(O)c(O)c2O)C(=O)O[C@@H]1C(=O)O 14922905 COZMWVAACFYLBI-CDIYCQAFSA-N 356.239 -0.314 10 10 FBCE endogenous,in-man Cn1cc(/C=C\C(=O)OCC(=O)c2ccc(O)c(O)c2)c(=O)n(C)c1=O 782618690 JNVOSWXKJUOERZ-XQRVVYSFSA-N 360.322 -0.066 10 10 FBCE CO[C@@H]1[C@H](OC)CN(C(=O)OC(C)(C)C)[C@@H]1COc1nnc(=N)[nH]n1 2219014284 CTOKMMOXWHMTHM-BBBLOLIVSA-N 356.383 -0.293 10 10 FBCE COc1ccc(N2CCN(C(=O)CN3CCNCCNCC3)CC2)cc1 923463419 RUQANKZBFDMRQI-UHFFFAOYSA-N 361.490 -0.161 10 10 FBCE O=C(NCc1ccc(O)cc1O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 1630302361 ZCYGAQJWEIIKKF-NEPJUHHUSA-N 368.411 -0.250 10 10 FBCE COc1ccc(N2CC[C@@H](NC(=O)C(=O)NCC[S@@](C)=O)C2)cc1 828011045 XYHITHBWBQPWQB-OIRASMEMSA-N 353.444 -0.115 10 10 FBCE CN1CCN(c2ccc(CNC(=O)C(=O)N3C[C@H]4C[C@@]4(CO)C3)cc2)CC1 1331826708 CEYHHYZZYFNTNW-UZLBHIALSA-N 372.469 -0.105 10 10 FBCE COc1ccc(N2CCN(C(=O)[C@@H]3CC(=O)NC(=O)N3)CC2)c(OC)c1 1150479809 LHXYIPDBZQRTJA-LBPRGKRZSA-N 362.386 -0.050 10 10 FBCE COc1ccc(N2CC[C@@H](NC(=O)C(=O)NC[C@H]3CNC(=O)C3)C2)cc1 1350859306 HMJNOLUBIPELCL-CHWSQXEVSA-N 360.414 -0.358 10 10 FBCE Nc1ccc(CCNC(=O)C(=O)N2CCN(c3nccnn3)CC2)cc1 861775981 DXFDFOXJRSOIRC-UHFFFAOYSA-N 355.402 -0.539 10 10 FBCE COc1ccc(N2CCN(C(=O)C(=O)NCC3CNC3)CC2)c(OC)c1 884693582 FPKMXBYJDLUQEN-UHFFFAOYSA-N 362.430 -0.312 10 10 FBCE COc1ccc(N2CC[C@@H](NC(=O)C(=O)NCc3nnn(C)n3)C2)cc1 1330487832 AYZJEFJFKFOCCL-LLVKDONJSA-N 359.390 -0.770 10 10 FBCE O=C(C=Cc1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@H](O)[C@H]1O 1903865813 CWVRJTMFETXNAD-DMEJVMROSA-N 354.311 -0.646 10 10 FBCE COc1ccc(N2CC[C@H](CNC(=O)C(=O)N3CCNC(=O)CC3)C2)cc1 1332041669 ASGZJOZITQHABH-CQSZACIVSA-N 374.441 -0.014 10 10 FBCE NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)C[C@@H]3NC(=O)NC3=O)cc2)C1 1323151154 ZEGJAQVOAHXOQV-OCCSQVGLSA-N 373.413 -0.397 10 10 FBCE COc1ccc(N2CC[C@@H](NC(=O)C(=O)NCc3cn(C)nn3)C2)cc1 1330971029 ZYLBBHDSJKEOCF-GFCCVEGCSA-N 358.402 -0.165 10 10 FBCE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](O)[C@@H]1CNC(=O)c1cc(O)nc(O)c1 2225621071 AYIDIINJYBIMOX-OUJBWJOFSA-N 369.374 -0.436 10 10 FBCE O=C(Cc1ccc(O)c(O)c1)N[C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 1442990572 JRBDFVCPQMZLGO-QWHCGFSZSA-N 370.427 -0.746 10 10 FBCE COCCNCCNC(=O)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 851689751 SWRLGXAGZNXUTR-AWEZNQCLSA-N 364.446 -0.258 10 10 FBCE CN1CCn2nc(C(=O)NCc3cccc(O)c3O)cc2S1(=O)=O 1471642443 UIHCUVKCXCRJSM-UHFFFAOYSA-N 352.372 -0.142 10 10 FBCE CN(C[C@H](O)CN1CCOCC1)C(=O)C(=O)N1Cc2cccc(O)c2C1 1331979414 AWXJGBURYSTDJR-AWEZNQCLSA-N 363.414 -0.614 10 10 FBCE COc1ccc(N2CC[C@@H](NC(=O)C(=O)NCCS(C)(=O)=O)C2)cc1 827087138 KRHODDRDGKPFND-GFCCVEGCSA-N 369.443 -0.449 10 10 FBCE COc1ccc(N2CC[C@@H](NC(=O)C(=O)N[C@@H]3CC(=O)N(C)C3)C2)cc1 1118604614 NRWKLSRXWYZJCW-CHWSQXEVSA-N 360.414 -0.263 10 10 FBCE CC1(OCC(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)CNC1 844174343 WJSZGGMJJABCAC-UHFFFAOYSA-N 367.471 -0.084 10 10 FBCE COc1ccc(N2CC[C@H](NC(=O)CNS(=O)(=O)N(C)C)C2)cc1 855227486 XAAMRCUSVJAWAL-LBPRGKRZSA-N 356.448 -0.214 10 10 FBCE C[C@H]1C(=O)N(C)CN1C(=O)C(=O)NCc1ccc(N2CCC(O)CC2)cc1 830620331 RVNCUDQBFXZCLN-ZDUSSCGKSA-N 374.441 -0.090 10 10 FBCE C[C@H]1CN(C(=O)C(=O)N2Cc3cccc(O)c3C2)CCN1S(C)(=O)=O 1351918574 FTZOQHXAQGFSPN-NSHDSACASA-N 367.427 -0.273 10 10 FBCE COC(=O)[C@]1(O)C[C@H](O)[C@@H](O)[C@H](OC(=O)C=Cc2ccc(O)c(O)c2)C1 2053493298 MZNIJRAPCCELQX-SHFYGJNESA-N 368.338 -0.558 10 10 FBCE OCC1(O)CCN(c2nnnn2Cc2ccc(N3CCOCC3)cc2)CC1 1334005934 DQDAXGLRKJCRTR-UHFFFAOYSA-N 374.445 -0.118 10 10 FBCE CN1CCn2nc(C(=O)NCCc3ccc(O)c(O)c3)cc2S1(=O)=O 1445935506 CNTJHLXKRYHQHI-UHFFFAOYSA-N 366.399 -0.099 10 10 FBCE COc1ccc(CNC(=O)NC[C@]23COCCN2C(=O)COC3)c(O)c1 1313169841 ZRJPMYPCBFEHNU-QGZVFWFLSA-N 365.386 -0.172 10 10 FBCE CN(C)CCN1CCN(C(=O)C(=O)N(C)Cc2ccccc2O)CC1=O 1327336785 KBZWDQNTWACEET-UHFFFAOYSA-N 362.430 -0.417 10 10 FBCE O=C(NCc1c(O)cccc1O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 1558534782 XVKNQMCHSBLZKA-ZDUSSCGKSA-N 363.414 -0.105 10 10 FBCE COc1ccc(N2CCN(C[C@H](O)CNC[C@@H](O)[C@@H](C)O)CC2)cc1 872224642 HNWRQWJUEWVVAT-QGPMSJSTSA-N 353.463 -0.491 10 10 FBCE CN1CCN(c2ccc(CNC(=O)NCCS(N)(=O)=O)cc2)CC1 1479185298 FVULLDYRYGXEKO-UHFFFAOYSA-N 355.464 -0.474 10 10 FBCE CN(C)c1ccc(CNC(=O)CN2CCC(NS(N)(=O)=O)CC2)cc1 859958430 TUGMGSNHTHUZHL-UHFFFAOYSA-N 369.491 -0.374 10 10 FBCE NCCCOCCNC(=O)C(=O)NCc1ccc(N2CCOCC2)cc1 861761305 BTLBUJIAFIWBSJ-UHFFFAOYSA-N 364.446 -0.379 10 10 FBCE COc1ccc(N2CCN(C(=O)/C=C/C(=O)N[C@H]3CCNC3=O)CC2)cc1 855143469 GNGWDRNRVKTHBC-MOEXGYKKSA-N 372.425 -0.095 10 10 FBCE CNCCOCCNC(=O)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 861799173 VFOZWIQIGDINEZ-AWEZNQCLSA-N 364.446 -0.258 10 10 FBCE COc1ccc(N2CCN(C(=O)C(=O)N3CC(CO)C3)CC2)c(OC)c1 867489330 KDYURXSUMUIHPL-UHFFFAOYSA-N 363.414 -0.197 10 10 FBCE CCN1CC[C@H](NC(=O)C(=O)NCc2ccc(N3CCOCC3)cc2)C1=O 1119069197 ORYKGSYKQCBYKO-INIZCTEOSA-N 374.441 -0.124 10 10 FBCE Cn1cnc2c1c(=O)n(CC(=O)N1Cc3cccc(O)c3C1)c(=O)n2C 1175032741 ZSGLAEICVXKVSU-UHFFFAOYSA-N 355.354 -0.318 10 10 FBCE O=C(CCNC(=O)c1c(F)ccc(O)c1O)N[C@@H]1CCS(=O)(=O)C1 1641160177 PLAZCFAAMBKBQC-MRVPVSSYSA-N 360.363 -0.340 10 10 FBCE COc1ccc(N2C(=O)N=C(O)/C(=C\NC(CO)(CO)CO)C2=O)cc1 102556277 KGDRYRNPXBOJKW-WUXMJOGZSA-N 365.342 -0.693 10 10 FBCE O=C(C/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@@](O)(C(=O)O)C[C@H](O)[C@H]1O 15206788 QLTIUACBEUGXEG-QLGCJXNKSA-N 368.338 -0.256 10 10 FBCE C[C@H](Cn1cncn1)NC(=O)C(=O)NCc1ccc(N2CCOCC2)cc1 788311055 PYRPBUUGKPPNKP-CQSZACIVSA-N 372.429 -0.064 10 10 FBCE COC(=O)[C@]1(O)C[C@H](O)[C@@H](O)[C@@H](OC(=O)C=Cc2ccc(O)c(O)c2)C1 2053493297 MZNIJRAPCCELQX-LBEHMCEESA-N 368.338 -0.558 10 10 FBCE CCN(CC)c1ccc(CNC(=O)C(=O)NC[C@@H](C)S(N)(=O)=O)cc1 781961489 ICCLVPRCVRVFQF-GFCCVEGCSA-N 370.475 -0.058 10 10 FBCE O=C1CCN(C(=O)C(=O)NCc2ccc(N3CCOCC3)cc2)CCN1 1257111927 YGTAGDWNPKDECT-UHFFFAOYSA-N 360.414 -0.512 10 10 FBCE C[C@@H]1CN(C(=O)C(=O)N(C)Cc2ccccc2O)CCN1S(C)(=O)=O 1329633595 ZCBDIVUOHXWEHG-GFCCVEGCSA-N 369.443 -0.157 10 10 FBCE O=C(CN1CCOC[C@H](O)C1)NCc1ccc(N2CCOCC2)c(F)c1 295504480 HLTVOKUUMJPGFP-OAHLLOKOSA-N 367.421 -0.028 10 10 FBCE CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)C(=O)Nc3ccc(N)cc3)C[C@@H]12 850850779 GKQLIBVFVBLEBC-XQQFMLRXSA-N 353.400 -0.522 10 10 FBCE NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)Cn3cnc(N)n3)cc2)C1 1544929712 LYKMQTPXVPNULJ-CYBMUJFWSA-N 357.418 -0.122 10 10 FBCE CC(=O)N[C@@H](CC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)C(N)=O 1637004523 FGUGJXQPHOWBPH-JKSUJKDBSA-N 363.462 -0.148 10 10 FBCE CS(=O)(=O)Nc1ccc(O)c(C(=O)N[C@H](CO)CC2OCCO2)c1 1651192450 SMRCUZFWKFQVDW-JTQLQIEISA-N 360.388 -0.383 10 10 FBCE COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)Cn3cnnn3)CC2)cc1 1631277226 MNNHFDNDQGCKEU-ZDUSSCGKSA-N 373.417 -0.465 10 10 FBCE CC(C)N1C[C@H](C(=O)NCCNC(=O)c2cc(O)c(O)c(O)c2)CC1=O 169838988 HWFBNDAHKUZQPK-LLVKDONJSA-N 365.386 -0.094 10 10 FBCE COc1ccc(N2CCN(CCNC(=O)C(=O)NC3CNC3)CC2)cc1 842151293 ATNGPRAHNBZRKK-UHFFFAOYSA-N 361.446 -0.979 10 10 FBCE O=C(C=Cc1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@H](O)[C@@H]1O 1903865818 CWVRJTMFETXNAD-LMWOUKEDSA-N 354.311 -0.646 10 10 FBCE C[C@@H](CNC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1)S(N)(=O)=O 781970562 PIQZIQYIRVMEAR-LBPRGKRZSA-N 366.443 -0.528 10 10 FBCE CCOC(=O)c1cnn2c(O)cc(CN3CCO[C@@H](CC(N)=O)C3)nc12 860011961 DOMNVVLPTRTZLW-NSHDSACASA-N 363.374 -0.312 10 10 FBCE C[C@@H]1CN(C(=O)C(=O)NCCc2ccc(N)cc2)CCN1S(C)(=O)=O 1327840036 DRHQXTJBBVBIOP-GFCCVEGCSA-N 368.459 -0.580 10 10 FBCE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NC[C@H](N)CO 2126187176 DWIVGOPCXGZPPI-RYUDHWBXSA-N 369.418 -0.031 10 10 FBCE NC[C@H]1CC(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)=NO1 852859899 DMQCPJKCSTXTQG-CQSZACIVSA-N 366.443 -0.359 10 10 FBCE C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NCc1c(O)cccc1O 1558533782 JWFIOYFNZDTWFF-SECBINFHSA-N 354.388 -0.186 10 10 FBCE Cc1ccccc1N1C(=O)NC(=O)C(=CNCCN2CCNCC2)C1=O 2296082686 QBRSOLDMMBVYRT-UHFFFAOYSA-N 357.414 -0.043 10 10 FBCE CNS(=O)(=O)NCC(=O)NC1CCN(c2ccc(OC)cc2)CC1 822999666 MMRKGWARVXJLBP-UHFFFAOYSA-N 356.448 -0.166 10 10 FBCE CCCCN1CCC(OC(=O)NC2C(=O)C(=O)C(=O)C(=O)C2=O)CC1 604934850 AKSIFVPXHGWIJK-UHFFFAOYSA-N 352.343 -0.795 10 10 FBCE COc1ccc(N2CCN(C(=O)/C=C/C(=O)NC[C@@H](O)CO)CC2)cc1 1646227697 LPXYGPWHNFFECX-LQYUOIDQSA-N 363.414 -0.631 10 10 FBCE O=C(NCc1c(O)cccc1O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 1597568161 AZLHYPGUVAMNCT-WDEREUQCSA-N 368.411 -0.250 10 10 FBCE CN1CCN(c2ccc(CN3CCN(CC(N)=O)C(=O)C3)cc2F)CC1 1325021174 GLMGRWXYXJNILH-UHFFFAOYSA-N 363.437 -0.293 10 10 FBCE CN1CCN(c2ccc(CNC(=O)C(=O)N3CC=C[C@@H]3CO)cc2)CC1 1334670265 ZABFJKHJMJUNQW-QGZVFWFLSA-N 358.442 -0.186 10 10 FBCE COCCN[C@@H]1[C@H]2OC[C@@H](O2)[C@H](NCc2ccc(N(C)C)cc2)[C@H]1O 1616155471 XFXAMLOKYITYLH-ICUGJSFKSA-N 351.447 -0.069 10 10 FBCE Cn1c(=O)c2cc(C(=O)NCc3cc(O)ccc3O)cnc2n(C)c1=O 1153879703 VKVKSRIWZUFUQL-UHFFFAOYSA-N 356.338 -0.027 10 10 FBCE CC(=O)N1CCN(c2ccc(CNC(=O)[C@H]3CN(C)C(=O)CN3)cc2)CC1 1341079159 IDLXQUNSEPZIFR-QGZVFWFLSA-N 373.457 -0.599 10 10 FBCE COc1ccc(N2CC[C@@H](NC(=O)C(=O)NCCC(=O)N(C)C)C2)cc1 1330866158 OGNIGIRPQMOQEC-CYBMUJFWSA-N 362.430 -0.015 10 10 FBCE CN1CCN(c2ccc(CNC(=O)C(=O)N[C@@H]3[C@H]4COC[C@H]43)cc2)CC1 1333862289 VBMDVRFIHHETFU-FVQHAEBGSA-N 358.442 -0.184 10 10 FBCE COc1ccc(N2CCN(CCNC(=O)Cn3ncn(C)c3=O)CC2)cc1 272381596 HTWJGRUHHYPTBZ-UHFFFAOYSA-N 374.445 -0.471 10 10 FBCE CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CSCC(=O)N1 1447343465 CKKBFTXVZKRTSS-QWRGUYRKSA-N 368.411 -0.080 10 10 FBCE CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)CN1C(=O)CCC1=O 1567306375 MALCQYLVJUCLJI-NSHDSACASA-N 364.354 -0.163 10 10 FBCE CN1CCn2ncc(C(=O)NCc3ccc(O)cc3O)c2S1(=O)=O 1570463439 PTLFJUBAELRIDA-UHFFFAOYSA-N 352.372 -0.142 10 10 FBCE C[C@@H](NC(=O)C(=O)N[C@H]1CCNC1=O)c1ccc(N2CCOCC2)cc1 827511308 RJWPQTUTIWZXLJ-DOMZBBRYSA-N 360.414 -0.295 10 10 FBCE COc1ccc(N2CCN(CCNC(=O)CN3CCNCC3)CC2)cc1 876781517 HQRRRENSJCLNFT-UHFFFAOYSA-N 361.490 -0.161 10 10 FBCE O=C(O)C[C@@H](C(=O)O)[C@@H]1c2c(cc(O)c(O)c2O)C(=O)O[C@H]1C(=O)O 13385489 COZMWVAACFYLBI-WJTZTYNYSA-N 356.239 -0.314 10 10 FBCE endogenous,in-man C[C@H](CNC(=O)C(=O)NCc1ccc(N(C)C)c(F)c1)S(N)(=O)=O 781963480 BYJMMHBJWVVIOS-SECBINFHSA-N 360.411 -0.699 10 10 FBCE COc1ccc(N2CC[C@H](NC(=O)C(=O)NCCOCCCN)C2)cc1 861809541 STJGEDRDXDCYSQ-AWEZNQCLSA-N 364.446 -0.128 10 10 FBCE CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(\C)NC(CO)(CO)CO 59520117 DQXYKIVTOXMNLB-GXDHUFHOSA-N 364.358 -0.103 10 10 FBCE COc1ccc(N2CC[C@H](NC(=O)C(=O)N[C@@H]3CC(=O)N(C)C3)C2)cc1 1118604616 NRWKLSRXWYZJCW-QWHCGFSZSA-N 360.414 -0.263 10 10 FBCE Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 848935565 XTKVIKACFHSCHZ-DLBZAZTESA-N 360.458 -0.045 10 10 FBCE C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NCc1ccc(O)cc1O 1638351888 HBXYUKFZIFYOEJ-VIFPVBQESA-N 354.388 -0.186 10 10 FBCE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](O)[C@H]1CNC(=O)c1cc(O)nc(O)c1 2225621070 AYIDIINJYBIMOX-NRUUGDAUSA-N 369.374 -0.436 10 10 FBCE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@H](COc3nnc(=N)[nH]n3)O[C@H]2C1 2253977998 LUTQQCVPTLQPEU-UTLUCORTSA-N 354.367 -0.539 10 10 FBCE CN(C)c1ccc(CNC(=O)C(=O)N2CCN(c3nncn3C)CC2)cc1 848930328 QQTGWMQPRBFAHI-UHFFFAOYSA-N 371.445 -0.154 10 10 FBCE COCCN[C@@H]1[C@H]2OC[C@@H](O2)[C@@H](NCc2ccc(N(C)C)cc2)[C@@H]1O 1616155475 XFXAMLOKYITYLH-ZBRFXRBCSA-N 351.447 -0.069 10 10 FBCE NC(=O)C1CCN(c2ccc(CNC(=O)N[C@@H]3COC[C@@H]3O)cc2)CC1 1565363776 XZEXDYBWHSJWII-CVEARBPZSA-N 362.430 -0.053 10 10 FBCE CCOC(=O)CNC(=O)[C@@H]1COCCN1C(=O)Cc1ccc(O)c(O)c1 1448436626 KMXPVSLRBNHBGU-LBPRGKRZSA-N 366.370 -0.453 10 10 FBCE COc1ccc(N2CCN(CCNC(=O)C(=O)NC[C@H](C)N)CC2)cc1 842151595 DVMINZKNNRJYKN-AWEZNQCLSA-N 363.462 -0.603 10 10 FBCE CNC(=O)NC(=O)CN(CC(=O)NC(=O)NC)c1ccc2c(c1)CCO2 31465930 UMAMOBOBNLGPIP-UHFFFAOYSA-N 363.374 -0.661 10 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C[C@H](CNC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1)S(N)(=O)=O 781960290 GFRAFLNJFLFMOQ-LLVKDONJSA-N 356.448 -0.496 10 10 FBCE CS(=O)(=O)Nc1ccc(O)c(C(=O)NCCC2CS(=O)(=O)C2)c1 1116725131 QXGOQBRDRBKKCH-UHFFFAOYSA-N 362.429 -0.072 10 10 FBCE COc1ccc(N2CC[C@@H](NC(=O)Cn3ccc(=O)n(C)c3=O)C2)cc1 855231625 KMNXYTLRRNGCRB-CYBMUJFWSA-N 358.398 -0.049 10 10 FBCE O=C(Cc1ccc(O)c(O)c1)N[C@@H]1CC(=O)N(CCN2CCOCC2)C1 1293902393 FVRVKNUMSMXKCQ-CQSZACIVSA-N 363.414 -0.310 10 10 FBCE COc1ccc(N2CCN(C(=O)COC(=O)[C@H]3CNC(=O)N3)CC2)cc1 732360378 GYINVTKZDMUWGJ-CQSZACIVSA-N 362.386 -0.432 10 10 FBCE CN1C(=O)C(=CN[C@@H](Cc2ccc(O)c(O)c2)C(=O)O)C(=O)N(C)C1=O 59168867 IDZCKHRANFTGPF-JTQLQIEISA-N 363.326 -0.383 10 10 FBCE C[C@@H](CC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1)NC(N)=O 1118775045 XIIOEAMJGVILBP-LBPRGKRZSA-N 368.459 -0.016 10 10 FBCE CC(=O)N1N=C(CNc2n[nH]c(=O)[nH]c2=O)O[C@@H]1c1ccc(N(C)C)cc1 21151640 BTIWVYNGOKJLAD-OAHLLOKOSA-N 373.373 -0.173 10 10 FBCE NC(=O)N[C@@H](CO)C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 1468816989 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COc1ccc(N2CCN(CCNC(=O)[C@H]3CNCCN3C)CC2)cc1 1121927306 DPYQRCLLPGHLHC-GOSISDBHSA-N 361.490 -0.163 10 10 FBCE CC(=O)N1CCN(c2ccc(CNC(=O)Cn3cnc(N)n3)cc2)CC1 1154271089 JSWMOMAMYBXBSM-UHFFFAOYSA-N 357.418 -0.155 10 10 FBCE COCCOC(=O)C[C@@H]1C(=O)NCCN1C=C1C(=O)OC(C)(C)OC1=O 10213628 DKUNDMKECDHYGS-LLVKDONJSA-N 370.358 -0.914 10 10 FBCE CNC(=O)NC[C@@H]1CN(C(=O)C(=O)N(C)Cc2ccccc2O)CCO1 1261797718 PXMSNFSGXBFYLR-CYBMUJFWSA-N 364.402 -0.493 10 10 FBCE C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NCc1cc(O)ccc1O 1637126411 XRKOIGOKBVPCHP-VIFPVBQESA-N 354.388 -0.186 10 10 FBCE CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)CCNC(=O)COC 1447348703 RLPODYBPESCUCO-LBPRGKRZSA-N 368.386 -0.159 10 10 FBCE O=C(C=Cc1ccc(O)c(O)c1)O[C@H]1C[C@](O)(C(=O)O)C[C@H](O)[C@H]1O 2297749184 CWVRJTMFETXNAD-GMZLATJGSA-N 354.311 -0.646 10 10 FBCE OC[C@H]1O[C@@H](n2cnc3c(NCc4ccccc4O)ncnc32)[C@@H](O)[C@H]1O 205660442 URVCVGNFSZHAOA-LRCAOYNASA-N 373.369 -0.245 10 10 FBCE in-vitro CN1CN(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)CC1=O 852501311 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Cn1c(=O)c2ccc(C(=O)NCc3c(O)cccc3O)nc2n(C)c1=O 1304050178 JVBUCVHDMHRYOB-UHFFFAOYSA-N 356.338 -0.027 10 10 FBCE Oc1ccc(Cl)cc1N=c1nc(N2CC(O)C2)[nH]c(N2CC(O)C2)n1 1871732653 RFJOPZAQKARBMP-UHFFFAOYSA-N 364.793 -0.242 10 10 FBCE COC(=O)[C@@H]1OCC[C@@H]1NC(=O)c1cc(NS(C)(=O)=O)ccc1O 855450095 YYPKSFNRQVSHQB-CMPLNLGQSA-N 358.372 -0.176 10 10 FBCE CN(C)c1ccc([C@@H](N)CNC(=O)/C=C/c2cn(C)c(=O)n(C)c2=O)cc1 843298809 QCRSUTRJBIZLHG-JCVNQNCUSA-N 371.441 -0.021 10 10 FBCE COc1ccc(N2CC[C@H](NC(=O)NC[C@H](O)CS(C)(=O)=O)C2)cc1 1252922305 HCDNBVCQTOMUKQ-JSGCOSHPSA-N 371.459 -0.021 10 10 FBCE COc1ccc(N2CC[C@H](CNC(=O)C(=O)N[C@H]3CCNC3=O)C2)cc1 829711057 MMHZFTYXZVBEKS-DOMZBBRYSA-N 360.414 -0.358 10 10 FBCE O=C(NCc1ccc(O)cc1O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 1626838274 UZAVVQLYUZCPQO-AWEZNQCLSA-N 363.414 -0.105 10 10 FBCE COc1ccc(CNC[C@H](O)CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)cc1C 1568579949 MPENRSYWOXUBNE-CWRNSKLLSA-N 365.430 -0.397 10 10 FBCE COc1ccc(N2CC[C@H](NC(=O)C(=O)NC[C@H]3COCCN3)C2)cc1 861803454 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CS(=O)(=O)Nc1ccc(O)c(C(=O)N2C[C@H]3C(=O)NC(=O)[C@H]3C2)c1 1449947088 GYGMBVNUFLWSHH-AOOOYVTPSA-N 353.356 -0.892 10 10 FBCE NC(=O)C1CCN(c2ccc(CNC(=O)CCNC(=O)CO)cc2)CC1 1455869666 XKHAIXFNWVRSQH-UHFFFAOYSA-N 362.430 -0.497 10 10 FBCE CNS(=O)(=O)NCC(=O)NCc1ccc(N2CCC(O)CC2)cc1 856213348 ILKJJOOZFCYRCR-UHFFFAOYSA-N 356.448 -0.682 10 10 FBCE COC(=O)C1(NC(=O)Cc2ccc(O)c(O)c2)CCS(=O)(=O)CC1 1448355756 QBVZOZQZQPOMOP-UHFFFAOYSA-N 357.384 -0.123 10 10 FBCE COc1ccc(N2CC[C@@H](NC(=O)C(=O)NC[C@H]3COCCN3)C2)cc1 861803455 XGWXGUHQZUWURF-KGLIPLIRSA-N 362.430 -0.505 10 10 FBCE O=C1CS(=O)(=O)C[C@@H](C(=O)NCc2ccc(N3CCOCC3)cc2)N1 1292065264 GEMQJOSTJVXTDZ-AWEZNQCLSA-N 367.427 -0.947 10 10 FBCE CO[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](COc2nnc(=N)[nH]n2)[C@H]1OC 2219014286 CTOKMMOXWHMTHM-OPRDCNLKSA-N 356.383 -0.293 10 10 FBCE COc1cc(C(=O)N[C@@H](C)CN(C)C(=O)[C@H]2C[C@H]2C(N)=O)cc(OC)n1 1735237873 KYAKWXXCUDPGEN-WCQGTBRESA-N 364.402 -0.203 10 10 FBCE CC(=O)N[C@@H]1[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](COC(C)=O)O[C@H]1N=[N+]=[N-] 76932326 RMCFMPMNMQZHSF-PEBLQZBPSA-N 372.334 -0.047 10 10 FBCE COc1ccc(N2CCN(CCNC(=O)NC(CO)CO)CC2)cc1 266696818 FXOAIUZONJQPRD-UHFFFAOYSA-N 352.435 -0.530 10 10 FBCE CN1CCN(c2ccc(CNC(=O)NCCCS(N)(=O)=O)cc2)CC1 1686916134 ZOYGHUXRURYFBE-UHFFFAOYSA-N 369.491 -0.084 10 10 FBCE COc1cc(C(=O)N[C@H](CO)CNC(=O)[C@@]23COC[C@@H]2C3)cc(OC)n1 1337690554 UMXYCCWQRPFFBZ-PRXAMGSTSA-N 365.386 -0.658 10 10 FBCE CS(=O)(=O)NC[C@@H]1COCCN1C(=O)NCCc1ccc(N)cc1 861641153 QBDBNEWAIQGDAZ-CQSZACIVSA-N 356.448 -0.229 10 10 FBCE COc1ccc(N2CCN(CCNC(=O)Cn3cnc(N)n3)CC2)cc1 1292282653 MNUMXJNEHWYKKA-UHFFFAOYSA-N 359.434 -0.193 10 10 FBCE O=C(c1cc(O)c(O)c(O)c1)N1CCCN(C(=O)c2ccc(=O)[nH]n2)CC1 169846323 WSBJOWPCMMQINA-UHFFFAOYSA-N 374.353 -0.125 10 10 FBCE COC(=O)/C=C\c1ccc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)c([N+](=O)[O-])c1 1772837648 XIVHDRNZTDSODR-KTLBGCOUSA-N 374.353 -0.072 10 10 FBCE COc1ccc(N2CCC(NC(=O)C(=O)N[C@H]3CCNC3=O)CC2)cc1 827843596 FOBRERKVJTWTMP-HNNXBMFYSA-N 360.414 -0.215 10 10 FBCE CNC(=O)NC[C@@H]1CN(C(=O)C(=O)NCCc2ccc(N)cc2)CCO1 861777613 VWTDYZRLTIQNRA-CQSZACIVSA-N 363.418 -0.916 10 10 FBCE NC(=O)C1CCN(c2ccc(CNC(=O)[C@@H]3CC(=O)NC(=O)N3)cc2)CC1 1178038527 DYWMGBNBPCWCRY-AWEZNQCLSA-N 373.413 -0.397 10 10 FBCE Cn1nc2c(cc1=O)CN(C(=O)C(=O)N1Cc3cccc(O)c3C1)CC2 1335601374 FITBATIBLQMHBF-UHFFFAOYSA-N 354.366 -0.087 10 10 FBCE Cn1cc(C[C@H](CO)NC(=O)c2cc(NS(C)(=O)=O)ccc2O)cn1 1643147408 WIHNLQACTWXENF-GFCCVEGCSA-N 368.415 -0.169 10 10 FBCE COC(=O)[C@@H]1O[C@@H](OC(C)=O)[C@H](N=[N+]=[N-])[C@H](OC(C)=O)[C@H]1OC(C)=O 604970533 MPMKPOBPFWONGP-UYNYGYNWSA-N 359.291 -0.010 10 10 FBCE in-vitro CNCCN(C(=O)C(=O)C(=O)C(=O)N1CC[C@@H](c2cccnc2)C1)C(C)C 903817501 YNJLJEJOVTVXTJ-OAHLLOKOSA-N 374.441 -0.008 10 10 FBCE CN(C)c1ccc(CNC(=O)N2CCN3[C@@H](CNS3(=O)=O)C2)cc1 913927041 SKVFHBFWMMMAEG-AWEZNQCLSA-N 353.448 -0.204 10 10 FBCE COc1ccc(N2CC[C@H](CNC(=O)C(=O)N(CCN)CCO)C2)cc1 818675308 AADHUIUTKCHZJA-CQSZACIVSA-N 364.446 -0.583 10 10 FBCE O=C(NCc1cc(O)ccc1O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 1153879914 ZJIXIJDSPVGSTR-NWDGAFQWSA-N 368.411 -0.250 10 10 FBCE COC(=O)[C@@H]1O[C@@H](N=[N+]=[N-])[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O 616583349 PMUZMIKGOMUGFG-IYKVGLELSA-N 359.291 -0.010 10 10 FBCE COc1ccc(N2CCN(C(=O)c3nonc3OCC(N)=O)CC2)cc1 1872675774 CMQHUHAESOYYRO-UHFFFAOYSA-N 361.358 -0.095 10 10 FBCE COc1ccccc1N1C(=O)NC(=O)C(=CNCCN2CCNCC2)C1=O 2297062086 KRDWXAPCOVCCPD-UHFFFAOYSA-N 373.413 -0.343 10 10 FBCE NC(=O)N[C@H](CO)C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 1468816986 RFTVMXAWWHUVOU-GFCCVEGCSA-N 358.345 -0.553 10 10 FBCE CN(C)CCN(C(=O)c1cc(O)c(O)c(O)c1)[C@H]1CCS(=O)(=O)C1 1866303032 HPSAXMOWAXMSIV-NSHDSACASA-N 358.416 -0.006 10 10 FBCE CN(C)c1ccc(CNC(=O)CN2CC[C@H](NS(C)(=O)=O)C2)cc1 116888436 IKTGDWLMZWBIKC-AWEZNQCLSA-N 354.476 -0.008 10 10 FBCE COc1ccc(N2CCN(C[C@@H](O)CN3C[C@@H](O)C[C@@H](O)C3)CC2)cc1 754050649 PUXAQTWSPCKQFC-FGTMMUONSA-N 365.474 -0.394 10 10 FBCE O=C(NCc1cc(O)ccc1O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 1643882323 SUJCYJGRIKMRAU-AWEZNQCLSA-N 363.414 -0.105 10 10 FBCE CN1CCN(c2ccc(CNC(=O)c3cn(CC(N)=O)nn3)cc2)CC1 1625146232 XHYWEWWAJMFPMJ-UHFFFAOYSA-N 357.418 -0.555 10 10 FBCE O=C(NCc1ccc(O)cc1O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 1630302362 ZCYGAQJWEIIKKF-NWDGAFQWSA-N 368.411 -0.250 10 10 FBCE Cc1nn(C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCO)=C(N)O2 1864008461 KRMHZYRGRVWXIY-ZDUSSCGKSA-N 360.370 -0.057 10 10 FBCE CN(C)c1ccc([C@H](N)CNC(=O)/C=C/c2cn(C)c(=O)n(C)c2=O)cc1 843298810 QCRSUTRJBIZLHG-OJXHRBAXSA-N 371.441 -0.021 10 10 FBCE NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)CCNC(=O)CO)cc2)C1 1291872478 WEVUSDGWSASIFA-CQSZACIVSA-N 362.430 -0.497 10 10 FBCE C[C@@H](NC(=O)Cn1cnnn1)C(=O)NCc1ccc(N2CCOCC2)cc1 1542302328 OZDSHYDFDNVAMF-CYBMUJFWSA-N 373.417 -0.669 10 10 FBCE C[C@H](CC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1)NC(N)=O 1118775042 XIIOEAMJGVILBP-GFCCVEGCSA-N 368.459 -0.016 10 10 FBCE CS(=O)(=O)Nc1ccc(O)c(C(=O)N[C@@H](CO)CC2OCCO2)c1 1651192452 SMRCUZFWKFQVDW-SNVBAGLBSA-N 360.388 -0.383 10 10 FBCE CCN1CC[C@@H](NC(=O)C(=O)NCc2ccc(N3CCOCC3)cc2)C1=O 1119069198 ORYKGSYKQCBYKO-MRXNPFEDSA-N 374.441 -0.124 10 10 FBCE C[C@H]1C(=O)N(NC(=O)c2cc(NS(C)(=O)=O)ccc2O)C(=O)N1C 1641849716 STMJPOCWIUIVPI-ZETCQYMHSA-N 356.360 -0.309 10 10 FBCE COC(=O)[C@@]1(O)C[C@@H](O)[C@H](O)[C@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C1 45364316 MZNIJRAPCCELQX-NYCIAPANSA-N 368.338 -0.558 10 10 FBCE biogenic,in-vitro COC(=O)CCNC(=O)CCNC(=O)C(=O)N(C)Cc1ccccc1O 1331575724 YGDLOZIJTUVMGX-UHFFFAOYSA-N 365.386 -0.464 10 10 FBCE CN(C)c1ccc([C@H](NC(=O)[C@H](O)[C@@H](O)C(=O)O)c2nccn2C)cc1 1865945862 FCEUSROKOKRDMZ-BFHYXJOUSA-N 362.386 -0.502 10 10 FBCE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](O)[C@@H]1CNC(=O)c1cc(O)nc(O)c1 2333598226 AYIDIINJYBIMOX-CWSCBRNRSA-N 369.374 -0.436 10 10 FBCE CN(C)c1ccc(CNC(=O)CCn2cc(C(N)=O)c(O)nc2=O)cc1 1135825596 ZMTKQBQAFBOUAL-UHFFFAOYSA-N 359.386 -0.180 10 10 FBCE COc1ccc(N2CC[C@@H](NC(=O)[C@@H]3CS(=O)(=O)CC(=O)N3)C2)cc1 1437582208 WQSBAKDSJRNMTJ-RISCZKNCSA-N 367.427 -0.697 10 10 FBCE Cn1cnnc1N1CCN(C(=O)C(=O)NCCc2ccc(N)cc2)CC1 848614269 UJRCFTZUVPGCDP-UHFFFAOYSA-N 357.418 -0.595 10 10 FBCE COc1ccc(N2CC[C@H](NC(=O)C(=O)NCC[S@@](C)=O)C2)cc1 828011043 XYHITHBWBQPWQB-FNODVLLQSA-N 353.444 -0.115 10 10 FBCE COc1ccc(N2CCN(CCNC(=O)C(=O)NC[C@@H](C)N)CC2)cc1 842151599 DVMINZKNNRJYKN-CQSZACIVSA-N 363.462 -0.603 10 10 FBCE O=C(O)CNCc1cc(S(=O)(=O)NCC(=O)O)c2cccnc2c1O 59517982 VOMWPZBNCDASHL-UHFFFAOYSA-N 369.355 -0.523 10 10 FBCE C[C@H](CNC(=O)C(=O)NCc1c(O)ccc2c1CCCC2)S(N)(=O)=O 781968253 BIDODGBVPGFQDC-SNVBAGLBSA-N 369.443 -0.320 10 10 FBCE COc1ccc(N2CCN(C(=O)CN3CC(S(N)(=O)=O)C3)CC2)cc1 930724513 NOYPQWWVXNDEHV-UHFFFAOYSA-N 368.459 -0.684 10 10 FBCE CS(=O)(=O)Nc1ccc(O)c(C(=O)NC[C@@H]2CN3CCCN2CC3)c1 774272105 BYRBMDPPYWESPM-CYBMUJFWSA-N 368.459 -0.117 10 10 FBCE Cc1nc(S(=O)(=O)NCC(=O)NCc2cc(O)ccc2O)cn1C 1644752467 GVPKMGXPDJZRGD-UHFFFAOYSA-N 354.388 -0.266 10 10 FBCE COC(=O)/C=C/c1ccc(N2CCN3C(=O)C(=O)NC[C@H]3C2)c([N+](=O)[O-])c1 267519875 XIVHDRNZTDSODR-PYEVWLCESA-N 374.353 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CC(=O)N[C@@H]1[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](COC(C)=O)O[C@H]1N=[N+]=[N-] 616583450 RMCFMPMNMQZHSF-MQLXINIDSA-N 372.334 -0.047 10 10 FBCE O=C1NC(=O)N(Cc2ccccc2)C(=O)C1=CNCCN1CCNCC1 2296102886 FAUAAPWDYQHLEA-UHFFFAOYSA-N 357.414 -0.356 10 10 FBCE COc1ccc(CNC(=O)NC[C@@]23COCCN2C(=O)COC3)c(O)c1 1313169832 ZRJPMYPCBFEHNU-KRWDZBQOSA-N 365.386 -0.172 10 10 FBCE O=C(C=Cc1ccc(O)c(O)c1)OC1[C@H](O)CC(O)(C(=O)O)C[C@H]1O 1903846725 GYFFKZTYYAFCTR-LGTQLRDQSA-N 354.311 -0.646 10 10 FBCE C[C@@H]1C(=O)N(NC(=O)c2cc(NS(C)(=O)=O)ccc2O)C(=O)N1C 1641849715 STMJPOCWIUIVPI-SSDOTTSWSA-N 356.360 -0.309 10 10 FBCE COc1ccc(N2CC[C@H](NC(=O)C(=O)NC[C@H]3CNC(=O)C3)C2)cc1 1350859308 HMJNOLUBIPELCL-OLZOCXBDSA-N 360.414 -0.358 10 10 FBCE CN(C)C(=O)CN1CCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)CC1 1335543888 ZOIHLFZQEBUERT-UHFFFAOYSA-N 360.414 -0.533 10 10 FBCE COC(=O)[C@]1(O)CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)C1 1588764717 CYYPLJNYKOPRAO-AWEZNQCLSA-N 358.372 -0.486 10 10 FBCE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@@H](COc3nnc(=N)[nH]n3)O[C@@H]2C1 2253977997 LUTQQCVPTLQPEU-LPEHRKFASA-N 354.367 -0.539 10 10 FBCE C[C@@H](CNC(=O)NCc1ccc(N2CCOCC2)cc1)S(N)(=O)=O 799889475 PUICRUFMJQGJFJ-LBPRGKRZSA-N 356.448 -0.001 10 10 FBCE O=C(CCOn1c(=O)c(=O)oc2ccc(Cl)cc21)N1CCNCC1 821296503 FEXCOLFVFKTZCC-UHFFFAOYSA-N 353.762 -0.141 10 10 FBCE COc1ccc(N2CCN(CCNC(=O)[C@@H]3CN(C)C(=O)N3)CC2)cc1 824285228 CBBWPYSRHWJQTO-INIZCTEOSA-N 361.446 -0.043 10 10 FBCE COC(=O)[C@@H]1O[C@@H](N=[N+]=[N-])[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 1848353088 PMUZMIKGOMUGFG-RNWYCLNJSA-N 359.291 -0.010 10 10 FBCE CNS(=O)(=O)NCC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 774015541 ZHIXCGXPKQFGFH-UHFFFAOYSA-N 374.438 -0.543 10 10 FBCE COC1(OC)CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)C[C@@H]1O 1639790361 GQAOKYRFGRCBTF-ZDUSSCGKSA-N 374.415 -0.040 10 10 FBCE COC[C@@H](C(N)=O)N(C)CC(=O)N1CCN(c2ccc(OC)cc2)CC1 815134368 VFYWGRPJWXYZBR-INIZCTEOSA-N 364.446 -0.224 10 10 FBCE CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1OCCN(C)C1=O 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10 10 FBCE C[C@@H]1C(=O)N(C)CN1C(=O)C(=O)NCc1ccc(N2CCN(C)CC2)cc1 898320221 KWDSPCAQJSHYSX-CQSZACIVSA-N 373.457 -0.299 10 10 FBCE CN(C)c1ccc(CNC(=O)N2CCN3[C@H](CNS3(=O)=O)C2)cc1F 915367256 YBURFACGMSICEL-GFCCVEGCSA-N 371.438 -0.065 10 10 FBCE CN1CCN(c2ccc(CN3C[C@@H](C(N)=O)[C@@H](C(N)=O)C3)cc2F)CC1 1331546466 BKVOJLUMHFVGBS-OKILXGFUSA-N 363.437 -0.404 10 10 FBCE COc1ccc(N2CC[C@@H](NC(=O)N3CC4(C3)NC(=O)NC4=O)C2)cc1 1252923446 MGRRJLDPDLPMCE-LLVKDONJSA-N 359.386 -0.123 10 10 FBCE O=C(CO)NCCC(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 909855150 CWDKLVHKUDDTPT-UHFFFAOYSA-N 357.357 -0.084 10 10 FBCE COc1ccc(N2CCN(C(=O)CN3CC[C@@](O)(C(N)=O)C3)CC2)cc1 285169394 UYTKVLNIPQMMKP-SFHVURJKSA-N 362.430 -0.734 10 10 FBCE C[C@@H](Cn1cncn1)NC(=O)C(=O)NCc1ccc(N2CCOCC2)cc1 788311054 PYRPBUUGKPPNKP-AWEZNQCLSA-N 372.429 -0.064 10 10 FBCE CC(=O)C(=O)COC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 808501531 QYMALIJQSMMQEM-UHFFFAOYSA-N 368.367 -0.878 10 10 FBCE C[C@H]1CN(CCO)CCN1C(=O)c1cc(NS(C)(=O)=O)ccc1O 1299280092 BIXXFSQGUYDXSH-NSHDSACASA-N 357.432 -0.098 10 10 FBCE O=C(C(=O)N1CCC[C@H](N2CCNCC2=O)C1)N1Cc2cccc(O)c2C1 1332117657 XOVYAQOZVDJLIU-AWEZNQCLSA-N 372.425 -0.343 10 10 FBCE NC(=O)CN1CCN(C(=O)NCc2ccc(N3CC=CC3)cc2)CC1=O 838486266 NLXMNCCZJMFYSR-UHFFFAOYSA-N 357.414 -0.098 10 10 FBCE CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)CN1CCOCC1=O 1321166340 CQCXESKAQRTJHP-LBPRGKRZSA-N 366.370 -0.453 10 10 FBCE COc1ccc(N2CCN(C(=O)C(=O)N3CCN(C=O)CC3)CC2)cc1 243594713 ORSHNYQFBAHPFW-UHFFFAOYSA-N 360.414 -0.356 10 10 FBCE C[C@@H](NC(=O)Cn1cnnn1)C(=O)NCc1ccc2c(c1)CCCN2C 1442385518 CLECCUABYAFOQH-GFCCVEGCSA-N 357.418 -0.123 10 10 FBCE COc1ccc(N2CC[C@H](NC(=O)[C@@H]3CS(=O)(=O)CC(=O)N3)C2)cc1 1437582185 WQSBAKDSJRNMTJ-FZMZJTMJSA-N 367.427 -0.697 10 10 FBCE O=C(/C=C/c1ccc(O)c(O)c1)O[C@]1(C(=O)O)C[C@@H](O)[C@@H](O)[C@H](O)C1 585665997 GWTUHAXUUFROTF-QHEBTOHLSA-N 354.311 -0.646 10 10 FBCE COC(=O)[C@@H]1O[C@H](N=[N+]=[N-])[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O 33692932 PMUZMIKGOMUGFG-ROHXPCBUSA-N 359.291 -0.010 10 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COC(=O)[C@@H]1O[C@H](N=[N+]=[N-])[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 33692934 PMUZMIKGOMUGFG-HGCLJGPKSA-N 359.291 -0.010 10 10 FBCE Cc1cc(CNC(C(=O)O)C(=O)O)c(O)c(CN(CC(=O)O)C(=O)O)c1 215595827 ZBHKOKYJFAWKBB-UHFFFAOYSA-N 370.314 -0.107 10 10 FBCE O=C(/C=C\c1ccc(O)c(O)c1)O[C@]1(C(=O)O)C[C@@H](O)[C@H](O)[C@H](O)C1 238787509 GWTUHAXUUFROTF-XYXZIBEBSA-N 354.311 -0.646 10 10 FBCE CN1CCO[C@H](C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)C1=O 1544929778 OAPLNSXFQVMTLU-GDBMZVCRSA-N 374.441 -0.138 10 10 FBCE CC(=O)C(=O)COC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 808500712 WROGDIPCAZAWGS-UHFFFAOYSA-N 368.367 -0.878 10 10 FBCE O=C(C=Cc1ccc(O)c(O)c1)OC1(C(=O)O)C[C@H](O)C(O)[C@@H](O)C1 2053541868 GWTUHAXUUFROTF-AVHCAHFISA-N 354.311 -0.646 10 10 FBCE COCCOCC(=O)N1CCN(C(=O)c2cc(O)c(O)c(O)c2)CC1 169824451 IREBSBBFPUIGHW-UHFFFAOYSA-N 354.359 -0.249 10 10 FBCE CN1CCN(c2ccc(CNC(=O)C(=O)N[C@H]3CCNC3=O)cc2)CC1 898321111 WOBBUTREVPEVJB-HNNXBMFYSA-N 359.430 -0.941 10 10 FBCE COc1ccc(N2CCN(CCNC(=O)CCNC(=O)CO)CC2)cc1 906432828 BGPMBYNLKDTSJP-UHFFFAOYSA-N 364.446 -0.568 10 10 FBCE C[C@@H]1C(=O)N(C)CN1C(=O)C(=O)NCc1ccc(N2CCC(O)CC2)cc1 830620329 RVNCUDQBFXZCLN-CYBMUJFWSA-N 374.441 -0.090 10 10 FBCE CC(=O)N[C@]1(N=[N+]=[N-])CO[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 1082186359 UQTOVZZMHFPUAU-SYQHCUMBSA-N 372.334 -0.046 10 10 FBCE Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NC[C@@H](C)S(N)(=O)=O 781968149 WWTCCZMXYADKMO-LLVKDONJSA-N 356.448 -0.530 10 10 FBCE O=C(/C=C\c1ccc(O)c(O)c1)O[C@]1(C(=O)O)C[C@@H](O)[C@@H](O)[C@H](O)C1 1531872303 GWTUHAXUUFROTF-BNPWMBDXSA-N 354.311 -0.646 10 10 FBCE CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)CS(=O)(=O)N(C)C 1320692390 LTCZKPZLJOKYGA-NSHDSACASA-N 374.415 -0.420 10 10 FBCE COc1ccc(N2CCN(C[C@H](O)Cn3nnn(C4CC4)c3=O)CC2)cc1 811819353 PETJFBNEERSMEG-INIZCTEOSA-N 374.445 -0.034 10 10 FBCE COc1ccc(N2CC[C@H](NC(=O)C(=O)NCC[S@](C)=O)C2)cc1 828011044 XYHITHBWBQPWQB-MCFWBGNESA-N 353.444 -0.115 10 10 FBCE CNC(=O)N[C@H]1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)C1 1624819841 QKHHZPKPALCYSC-JTQLQIEISA-N 356.404 -0.093 10 10 FBCE CCCOC(=O)C[C@@H]1C(=O)NCCN1C=C1C(=O)OC(C)(C)OC1=O 10213433 ZTPLTNDPEWJEEG-LLVKDONJSA-N 354.359 -0.150 10 10 FBCE C[C@H]1C(=O)N(C)CN1C(=O)C(=O)NCc1ccc(N2CCN(C)CC2)cc1 898320218 KWDSPCAQJSHYSX-AWEZNQCLSA-N 373.457 -0.299 10 10 FBCE COc1ccc(CNC[C@@H](O)CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)cc1C 1568579950 MPENRSYWOXUBNE-VNQPRFMTSA-N 365.430 -0.397 10 10 FBCE COC(=O)[C@@H]1C[C@H](N2C(=O)CNC2=O)CN1C(=O)c1cc(O)cs1 857725659 GIIYOAMFVRICKE-CBAPKCEASA-N 353.356 -0.238 10 10 FBCE O=C(C=Cc1ccc(O)c(O)c1)O[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1O 2040347580 GYFFKZTYYAFCTR-NCZKRNLISA-N 354.311 -0.646 10 10 FBCE CCN1C(=O)C(=CNc2ccc(S(N)(=O)=O)cc2)C(=O)NC1=S 2297366233 FAAYZVNICAYAQN-UHFFFAOYSA-N 354.413 -0.107 10 10 FBCE CS(=O)(=O)N=S1(=O)CCN(C(=O)Cc2ccc(O)c(O)c2)CC1 1556762068 ZZHTXWXAALKNKQ-UHFFFAOYSA-N 362.429 -0.090 10 10 FBCE Cn1c(=O)c2cc(C(=O)NCc3cccc(O)c3O)cnc2n(C)c1=O 1637035679 TVZPMBLVJOMCBB-UHFFFAOYSA-N 356.338 -0.027 10 10 FBCE 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10 10 FBCE O=C(C=Cc1ccc(O)c(O)c1)O[C@]1(C(=O)O)C[C@@H](O)[C@H](O)[C@H](O)C1 2041065055 GWTUHAXUUFROTF-NCZKRNLISA-N 354.311 -0.646 10 10 FBCE COC(=O)[C@@H]1O[C@@H](N=[N+]=[N-])[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 1848353089 PMUZMIKGOMUGFG-VSSNEEPJSA-N 359.291 -0.010 10 10 FBCE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@H](COc3nnc(=N)[nH]n3)O[C@@H]2C1 2253977996 LUTQQCVPTLQPEU-KXUCPTDWSA-N 354.367 -0.539 10 10 FBCE COc1ccc(N2CCN(CCCNC(=O)Cn3cn[nH]c3=O)CC2)cc1 184607662 KGIOYOLOJYLRMB-UHFFFAOYSA-N 374.445 -0.092 10 10 FBCE COc1ccc(N2CCN(C[C@H](O)CN3CC(C)(C(N)=O)C3)CC2)cc1 829069541 BTUCQYXOAAKKPE-INIZCTEOSA-N 362.474 -0.015 10 10 FBCE COc1ccc(N2CCN(C(=O)/C=C\C(=O)N[C@H]3CCNC3=O)CC2)cc1 855143471 GNGWDRNRVKTHBC-WLMCBFPDSA-N 372.425 -0.095 10 10 FBCE CS(=O)(=O)NC[C@@H]1COCCN1C(=O)/C=C/c1ccc(O)c(O)c1 863554421 YULANFLTBPGGHA-OGOUPESXSA-N 356.400 -0.112 10 10 FBCE COc1ccc(N2CC[C@@H](NC(=O)C(=O)N[C@H]3CC(=O)N(C)C3)C2)cc1 1118604615 NRWKLSRXWYZJCW-OLZOCXBDSA-N 360.414 -0.263 10 10 FBCE COc1ccc(N2CCN(C(=O)c3cn(CC(N)=O)nn3)CC2)c(OC)c1 1132031937 CSLUAYSSBYBSFV-UHFFFAOYSA-N 374.401 -0.257 10 10 FBCE COc1cccc(CNC(=O)[C@@H]2[C@@H](c3cnn(C)c3)N(C)C(=O)[C@@H]2O)c1O 1630366910 ZUQRPWNFLJGKPZ-IIAWOOMASA-N 374.397 -0.059 10 10 FBCE O=C(NCc1cc(O)ccc1O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 1153879916 ZJIXIJDSPVGSTR-VXGBXAGGSA-N 368.411 -0.250 10 10 FBCE COc1cccc(N2C(=O)NC(=O)C(=CNCCN3CCNCC3)C2=O)c1 2296931364 GYNJXQHWVDYUII-UHFFFAOYSA-N 373.413 -0.343 10 10 FBCE CN1CCN(c2ccc(CNC(=O)C(=O)N3CC=C[C@H]3CO)cc2)CC1 1334670264 ZABFJKHJMJUNQW-KRWDZBQOSA-N 358.442 -0.186 10 10 FBCE CN(C)c1ccc([C@@H](CNC(=O)c2cn(CC(N)=O)nn2)N(C)C)cc1 1539705888 IJWRMMQJGCTCTI-OAHLLOKOSA-N 359.434 -0.138 10 10 FBCE CS(=O)(=O)Nc1ccc(O)c(C(=O)N[C@@H](CO)CN2CCOCC2)c1 774247654 CHIRYRYHOSGYGS-GFCCVEGCSA-N 373.431 -0.813 10 10 FBCE CNS(=O)(=O)NCC(=O)N1CCN(c2ccc(OC)cc2OC)CC1 1557824730 VWWGPBAFFOCUFM-UHFFFAOYSA-N 372.447 -0.594 10 10 FBCE CCOC(=O)c1cnn2c(O)cc(CN3CCn4c(O)nnc4C3)nc12 763151613 IBLHVQSVFZBNMW-UHFFFAOYSA-N 359.346 -0.076 10 10 FBCE COCCN1C(=O)/C(=C\NCCCN2CCCC2=O)C(=O)NC1=S 60861212 LXLYXNZMFWMBIL-KHPPLWFESA-N 354.432 -0.638 10 10 FBCE C[C@H](CNC(=O)C(=O)NCc1ccc(N2CCCC2)cc1)S(N)(=O)=O 781959933 BYQWLNKOTPRXEN-GFCCVEGCSA-N 368.459 -0.304 10 10 FBCE COC(=O)[C@@H]1C[C@H](N2C(=O)CNC2=O)CN1C(=O)c1cccc(O)c1O 857725994 GBAUTJMSRKIFOP-WPRPVWTQSA-N 363.326 -0.594 10 10 FBCE C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NCc1c(O)cccc1O 1558533783 JWFIOYFNZDTWFF-VIFPVBQESA-N 354.388 -0.186 10 10 FBCE Nc1ccc(-n2nnc(C(=O)NCc3ccc(S(N)(=O)=O)cc3)n2)cc1 1857878488 DOGKEGYWRHLWQR-UHFFFAOYSA-N 373.398 -0.178 10 10 FBCE COc1ccc(N2CCN(C(=O)CN3CCN(C)[C@@H](CO)C3)CC2)cc1 931410277 KWYFAZLVNZVOIH-QGZVFWFLSA-N 362.474 -0.048 10 10 FBCE COc1ccc(N2CC[C@H](NC(=O)C(=O)NCCC(=O)N(C)C)C2)cc1 1330866159 OGNIGIRPQMOQEC-ZDUSSCGKSA-N 362.430 -0.015 10 10 FBCE O=C(NCc1ccc(N2CCSCC2)cc1)C(=O)N[C@H]1CCNC1=O 827196333 INHQHHXWWUVPCD-AWEZNQCLSA-N 362.455 -0.139 10 10 FBCE COC(=O)[C@@H](F)CNC(=O)C(=O)NCc1ccc(N2CCOCC2)cc1 1350562579 MZGCDWQYEHHQNL-AWEZNQCLSA-N 367.377 -0.233 10 10 FBCE Cn1c(=O)c2cc(C(=O)NCc3c(O)cccc3O)cnc2n(C)c1=O 1178904874 BELWDVYZVREGPN-UHFFFAOYSA-N 356.338 -0.027 10 10 FBCE CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CC(C3CS(=O)(=O)C3)C2)c1 1628119701 MTCQFINUADOVDI-UHFFFAOYSA-N 374.440 -0.120 10 10 FBCE CNS(=O)(=O)NCC(=O)N1CCN(c2ccc(OC)c(F)c2)CC1 826970352 LDWMBGXXBFIYAF-UHFFFAOYSA-N 360.411 -0.463 10 10 FBCE CN1CCCc2cc(CNC(=O)C(=O)N3CCN4C[C@H](O)C[C@H]4C3)ccc21 848932502 PYESCSICVOBCFV-DLBZAZTESA-N 372.469 -0.037 10 10 FBCE CS(=O)(=O)Nc1ccc(O)c(C(=O)NC[C@H]2CN3CCCN2CC3)c1 774272111 BYRBMDPPYWESPM-ZDUSSCGKSA-N 368.459 -0.117 10 10 FBCE COc1cc(N2CCN3[C@@H](CNS3(=O)=O)C2)c([N+](=O)[O-])cc1OC 1612963315 OGRKGCAEIYFPTM-VIFPVBQESA-N 358.376 -0.049 10 10 FBCE CN(C)c1ccc(CNC(=O)C(=O)N2CC[C@H](NC(N)=O)C2)cc1F 1341091260 MIBWOVXBDWYHKK-NSHDSACASA-N 351.382 -0.223 10 10 FBCE CN(C)c1ccc(CNC(=O)CN2CCN3CCOC[C@]3(CO)C2)cc1 1620619002 SCCYHQZWPCBKGT-LJQANCHMSA-N 362.474 -0.252 10 10 FBCE CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)Cc1ccc(O)c(O)c1 1141374468 FHWZHLQDEMNTIU-GFCCVEGCSA-N 370.427 -0.208 10 10 FBCE COC(=O)[C@@H]1O[C@@H](OC(C)=O)[C@@H](N=[N+]=[N-])[C@@H](OC(C)=O)[C@H]1OC(C)=O 604970536 MPMKPOBPFWONGP-ZZZDWPBISA-N 359.291 -0.010 10 10 FBCE in-vitro O=C(Cn1cnnn1)N1CCN(C(=O)c2c(F)ccc(O)c2O)CC1 1472484318 DLOLRONCPMUFAW-UHFFFAOYSA-N 350.310 -0.792 10 10 FBCE C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NCc1cc(O)ccc1O 1637126410 XRKOIGOKBVPCHP-SECBINFHSA-N 354.388 -0.186 10 10 FBCE CC(=O)C(=O)COC(=O)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 808526938 VPOICSGIORBYBH-LLVKDONJSA-N 363.775 -0.320 10 10 FBCE Cn1cnn(CC(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)c1=O 1133847033 CQKRTBNORJQDIR-UHFFFAOYSA-N 372.429 -0.400 10 10 FBCE CNS(=O)(=O)CC(=O)NCCN1CCN(c2ccc(OC)cc2)CC1 267562828 FSUPHCKHZATQMZ-UHFFFAOYSA-N 370.475 -0.517 10 10 FBCE O=S(=O)(C[C@H]1CNCCO1)NCc1ccc(N2CCOCC2)cc1 866746852 KVGZFUZGSGTABA-MRXNPFEDSA-N 355.460 -0.069 10 10 FBCE Nc1ccc(-n2nnc(C(=O)N3CCN(c4ncccn4)CC3)n2)cc1 1857878958 PWQQLESHFUOZSZ-UHFFFAOYSA-N 351.374 -0.003 10 10 FBCE CCNc1nc(NCC)n2c(SCC(=O)N3CC(CO)C3)nnc2n1 273205816 JJNFCHDKXFQWKI-UHFFFAOYSA-N 366.451 -0.074 10 10 FBCE CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 848630644 YZUMNYGIJXEGGU-DLBZAZTESA-N 360.458 -0.012 10 10 FBCE COC(=O)[C@H]1O[C@@H](N=[N+]=[N-])[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 616626049 PMUZMIKGOMUGFG-PZWNZHSQSA-N 359.291 -0.010 10 10 FBCE CO[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](COc2nnc(=N)[nH]n2)[C@H]1OC 2219014285 CTOKMMOXWHMTHM-IVZWLZJFSA-N 356.383 -0.293 10 10 FBCE O=C(C(=O)C(=O)N1C[C@H]2CC[C@H]1CN2)C(=O)N1CC[C@H](c2cccnc2)C1 843059507 NIIMDXASQWRNEP-ZNMIVQPWSA-N 370.409 -0.502 10 10 FBCE CN1CCN(c2ccc(CNC(=O)C(=O)N3C[C@@H]4C[C@@]4(CO)C3)cc2)CC1 1331826705 CEYHHYZZYFNTNW-JXFKEZNVSA-N 372.469 -0.105 10 10 FBCE C[C@H](NC(=O)C(=O)NC[C@H](C)S(N)(=O)=O)c1ccc(N(C)C)cc1 773859494 VGFJCHREJCUWNU-QWRGUYRKSA-N 356.448 -0.277 10 10 FBCE CN1C[C@H](C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)NC1=O 822759651 WAFUCGLDBVVUFN-CQSZACIVSA-N 366.443 -0.439 10 10 FBCE O=C(CN1C(=O)CSC1=S)NCCn1nc2c(cc1=O)CCC2 585413093 KKVIGVKZTBOFDV-UHFFFAOYSA-N 352.441 -0.292 10 10 FBCE C[C@@H](CNC(=O)C(=O)NCc1ccc2c(c1)CCCN2C)S(N)(=O)=O 781965582 VGXMSDOJMPCOAZ-NSHDSACASA-N 368.459 -0.522 10 10 FBCE CC(=O)C(=O)COC(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 808496258 HWSSCHJWRRSFNN-UHFFFAOYSA-N 370.383 -0.632 10 10 FBCE C[C@H](NC(=O)C(=O)NC[C@@H](C)S(N)(=O)=O)c1ccc(N(C)C)cc1 773859492 VGFJCHREJCUWNU-MNOVXSKESA-N 356.448 -0.277 10 10 FBCE CN(C)c1ccc(CNC(=O)C(=O)N2CCN3C[C@H](O)C[C@H]3C2)cc1F 848932126 LFKCHFLXHOTNLA-UONOGXRCSA-N 364.421 -0.215 10 10 FBCE COc1ccc(CNC(=O)[C@@H]2[C@@H](c3cnn(C)c3)N(C)C(=O)[C@@H]2O)c(O)c1 1139033163 ZOBIXPYRUQSATK-BZUAXINKSA-N 374.397 -0.059 10 10 FBCE CN1CCN(c2ccc(CNC(=O)C(=O)N3C[C@@H]4C[C@]4(CO)C3)cc2)CC1 1331826706 CEYHHYZZYFNTNW-OXJNMPFZSA-N 372.469 -0.105 10 10 FBCE Cn1c(=O)c2ccc(C(=O)NCc3cc(O)ccc3O)nc2n(C)c1=O 1651222264 CYEDGBSAGUGHDO-UHFFFAOYSA-N 356.338 -0.027 10 10 FBCE COc1ccc(N2CC[C@H](NC(=O)C(=O)NC[C@@H]3COCCO3)C2)cc1 1330869496 BEJIRSYAHQCUDH-XJKSGUPXSA-N 363.414 -0.078 10 10 FBCE O=C(C=Cc1ccc(O)c(O)c1)OC1(C(=O)O)C[C@@H](O)C(O)[C@H](O)C1 2053541869 GWTUHAXUUFROTF-LGTQLRDQSA-N 354.311 -0.646 10 10 FBCE CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CN(C)C(=O)N1 1330782091 HKULKYGHORVISF-QWRGUYRKSA-N 351.359 -0.288 10 10 FBCE O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C=C(C(=O)O)O[C@@H](C(=O)O)[C@H]1O 253390659 ZQFOLQKZDARIIB-SXYIURFDSA-N 366.278 -0.164 10 10 FBCE biogenic CNCCOCCNC(=O)C(=O)NCc1ccc(N2CCOCC2)cc1 861761443 HFBMIGZSFDRHPU-UHFFFAOYSA-N 364.446 -0.508 10 10 FBCE COc1ccc(N2CCN(CCNC(=O)C3CS(=O)(=O)C3)CC2)cc1 865034743 ZRNQMCLBVVGVDK-UHFFFAOYSA-N 367.471 -0.022 10 10 FBCE CN1CCN(c2ccc(CNC(=O)NC[C@H]3CC(C(N)=O)=NO3)cc2)CC1 1635181567 HLGZWLRXDJOSLD-OAHLLOKOSA-N 374.445 -0.132 10 10 FBCE COC(=O)[C@@H]1O[C@H](OC(C)=O)[C@H](N=[N+]=[N-])[C@@H](OC(C)=O)[C@@H]1OC(C)=O 255988249 MPMKPOBPFWONGP-HMUNZLOLSA-N 359.291 -0.010 10 10 FBCE COc1ccc(N(C)CCN(C)C(=O)C(=O)N2CCNC(=O)CC2)cc1 1327342142 UGCLNXQAYMUTQA-UHFFFAOYSA-N 362.430 -0.062 10 10 FBCE CS(=O)(=O)N1CCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)CC1 1261855831 IBBOOTCAXHKPEU-UHFFFAOYSA-N 353.400 -0.662 10 10 FBCE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](O)[C@H]1CNC(=O)c1cc(O)nc(O)c1 2225621068 AYIDIINJYBIMOX-GBIKHYSHSA-N 369.374 -0.436 10 10 FBCE CC(=O)O[C@H]([C@H](C=S)OC(C)=O)[C@H](OC(C)=O)[C@@H](CO)OC(C)=O 168322856 SGUWTTGYRDTUHK-XJFOESAGSA-N 364.372 -0.295 10 10 FBCE COc1ccc(N2CCN(C[C@H](O)CN3C[C@@H](O)C[C@@H](O)C3)CC2)cc1 754050650 PUXAQTWSPCKQFC-KSZLIROESA-N 365.474 -0.394 10 10 FBCE CN(C)c1ccc(CNC(=O)N2CCN3[C@@H](CNS3(=O)=O)C2)cc1F 915367257 YBURFACGMSICEL-LBPRGKRZSA-N 371.438 -0.065 10 10 FBCE CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)C[C@@H]1NC(=O)NC1=O 779104213 IVBMVSBDCFTVMS-ZDUSSCGKSA-N 362.386 -0.148 10 10 FBCE CN1C[C@H](NC(=O)C(=O)NCc2ccc(N3CCOCC3)cc2)CCC1=O 284144400 SBJVKOCCKJILLF-OAHLLOKOSA-N 374.441 -0.124 10 10 FBCE COc1ccc(N2CCN(CCNC(=O)c3nnc(O)nc3O)CC2)cc1 1583751762 GMZFSNUMJMIGOX-UHFFFAOYSA-N 374.401 -0.157 10 10 FBCE COc1ccc(N2CC[C@@H](NC(=O)C(=O)NC[C@H]3CNCCO3)C2)cc1 851689165 LMMPNFAQSNLLGV-CZUORRHYSA-N 362.430 -0.505 10 10 FBCE CNC(=O)NC[C@H]1CN(C(=O)C(=O)NCCc2ccc(N)cc2)CCO1 861777612 VWTDYZRLTIQNRA-AWEZNQCLSA-N 363.418 -0.916 10 10 FBCE O=C(Cc1ccc(O)c(O)c1)N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 1442990564 JRBDFVCPQMZLGO-OLZOCXBDSA-N 370.427 -0.746 10 10 FBCE Cn1cc(CNC(=O)C(=O)NCc2ccc(N3CCOCC3)cc2)nn1 1118338258 QGXOTBXRQUTCIP-UHFFFAOYSA-N 358.402 -0.416 10 10 FBCE O=C(NC[C@@H]1C[C@H]2C=C[C@H]1CC2)C(=O)C(=O)C(=O)NCC12CC(CN1)C2 1350346639 VBEKRJIWVVHRFF-RNYDFQJBSA-N 359.426 -0.289 10 10 FBCE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NC[C@@H](N)CO 2126187175 DWIVGOPCXGZPPI-NEPJUHHUSA-N 369.418 -0.031 10 10 FBCE Cn1cc(N2CCN(C(=O)C(=O)N3Cc4cccc(O)c4C3)CC2=O)cn1 1119006681 OAPDYNXYBCXUHG-UHFFFAOYSA-N 369.381 -0.157 10 10 FBCE COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c1cc(NS(C)(=O)=O)ccc1O 1632885988 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O=C(c1c(F)ccc(O)c1O)N1CCN(S(=O)(=O)c2nc[nH]n2)CC1 1161143082 IEHCSBCSEUSREW-UHFFFAOYSA-N 371.350 -0.498 10 10 FBCE NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)CN3CCOCC3=O)cc2)C1 790560979 RDABSVMYFXECOZ-HNNXBMFYSA-N 374.441 -0.137 10 10 FBCE CC(=O)N1CCN(c2ccc(CNC(=O)C[C@@H]3NC(=O)NC3=O)cc2)CC1 1321086864 BFEONJVHMVSTOO-HNNXBMFYSA-N 373.413 -0.431 10 10 FBCE CN(C[C@@H](O)CN1CCOCC1)C(=O)C(=O)N1Cc2cccc(O)c2C1 1331979415 AWXJGBURYSTDJR-CQSZACIVSA-N 363.414 -0.614 10 10 FBCE Cn1cnc2c1c(=O)n(CC(=O)NCc1c(O)cccc1F)c(=O)n2C 1646028703 MJWOTUXSOTVCOW-UHFFFAOYSA-N 361.333 -0.405 10 10 FBCE NC(=O)C1CCN(c2ccc(CNC(=O)NC(CO)CO)cc2)CC1 1676126007 MPCOYRSTMSAIJE-UHFFFAOYSA-N 350.419 -0.459 10 10 FBCE COc1ccc(N2CC[C@@H](NC(=O)C(=O)NC[C@H]3COCCO3)C2)cc1 1330869494 BEJIRSYAHQCUDH-CJNGLKHVSA-N 363.414 -0.078 10 10 FBCE CCN1C(=O)/C(=C\Nc2ccc(S(N)(=O)=O)cc2)C(=O)NC1=S 104931929 FAAYZVNICAYAQN-YFHOEESVSA-N 354.413 -0.107 10 10 FBCE CC(C)(O)[C@@H](O)C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 1628921604 VQRRHZZLZFNJEN-AWEZNQCLSA-N 356.444 -0.331 10 10 FBCE COC(=O)[C@@H]1O[C@@H](N=[N+]=[N-])[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 616626050 PMUZMIKGOMUGFG-RMPHRYRLSA-N 359.291 -0.010 10 10 FBCE in-vitro O=C(C=Cc1ccc(O)c(O)c1)O[C@@H]1[C@@H](O)C[C@](O)(C(=O)O)C[C@H]1O 1903846724 GYFFKZTYYAFCTR-KPVDHRAQSA-N 354.311 -0.646 10 10 FBCE COc1ccc(N2CC[C@H](NC(=O)C(=O)NC[C@@H]3CNC(=O)C3)C2)cc1 1350859314 HMJNOLUBIPELCL-STQMWFEESA-N 360.414 -0.358 10 10 FBCE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NC[C@H](O)CN 2126188319 XMRGAJUNHYRTKQ-NEPJUHHUSA-N 369.418 -0.031 10 10 FBCE COc1ccc(N2CC[C@H](NC(=O)C(=O)NCCn3cncn3)C2)cc1 1118587900 LCPHHBMDYNBQFJ-ZDUSSCGKSA-N 358.402 -0.202 10 10 FBCE CN1CCn2nc(C(=O)NCc3ccc(O)cc3O)cc2S1(=O)=O 1469162798 OHIXAWQBYRYPIA-UHFFFAOYSA-N 352.372 -0.142 10 10 FBCE COc1ccc(N2CC[C@@H](NC(=O)NC[C@@H](O)CS(C)(=O)=O)C2)cc1 1252922307 HCDNBVCQTOMUKQ-TZMCWYRMSA-N 371.459 -0.021 10 10 FBCE CN1C(=O)C(=CNCCc2ccc(S(N)(=O)=O)cc2)C(=O)N(C)C1=O 60862090 GHXPPBWMGKKYTG-UHFFFAOYSA-N 366.399 -0.600 10 10 FBCE O=C(CN1CC(=O)NC1=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 732275001 WONJYEDIPJXHOA-UHFFFAOYSA-N 364.377 -0.045 10 10 FBCE COc1ccc(N2C(=O)NC(=O)C(=CNN3CCN(C)CC3)C2=O)cc1 2296079575 PSOFVMWZZKJJDM-UHFFFAOYSA-N 359.386 -0.086 10 10 FBCE O=C1NC(=O)N(c2ccccc2)C(=O)C1=CNC12CN3CN(CN(C3)C1)C2 2297604864 QZHVBDWXAFJEPZ-UHFFFAOYSA-N 368.397 -0.699 10 10 FBCE NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)CN3CC(=O)NC3=O)cc2)C1 732275276 VKXZEMVZUIKDTB-ZDUSSCGKSA-N 373.413 -0.444 10 10 FBCE COc1ccc(N2CCN(C[C@@H](O)CN3CC[C@@H](O)[C@@H](O)C3)CC2)cc1 879610612 TZYCLZWYROTOOM-QRQLOZEOSA-N 365.474 -0.394 10 10 FBCE COc1ccc(N2CC[C@@H](NC(=O)C(=O)NCCn3cncn3)C2)cc1 1118587899 LCPHHBMDYNBQFJ-CYBMUJFWSA-N 358.402 -0.202 10 10 FBCE CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N1CCO[C@H](CC(N)=O)C1 859277698 YRAHQTZGAYLAJV-OAHLLOKOSA-N 362.430 -0.186 10 10 FBCE CNS(=O)(=O)NCC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 773726007 LTWREYJRAALHKN-UHFFFAOYSA-N 356.448 -0.465 10 10 FBCE COC(=O)/C=C\c1ccc(N2CCN3C(=O)C(=O)NC[C@H]3C2)c([N+](=O)[O-])c1 1772837647 XIVHDRNZTDSODR-FHMRSRPSSA-N 374.353 -0.072 10 10 FBCE CNS(=O)(=O)CCCOC(=O)c1cc(NS(C)(=O)=O)ccc1O 777071662 KFQJMCPKAMBPIC-UHFFFAOYSA-N 366.417 -0.140 10 10 FBCE O=C(NC[C@H]1C[C@H]2C=C[C@H]1CC2)C(=O)C(=O)C(=O)NCC12CC(CN1)C2 1350346638 VBEKRJIWVVHRFF-AFTPGIKHSA-N 359.426 -0.289 10 10 FBCE COC(=O)[C@@H]1O[C@@H](OC(C)=O)[C@H](N=[N+]=[N-])[C@@H](OC(C)=O)[C@H]1OC(C)=O 604970534 MPMKPOBPFWONGP-VDWIVTDKSA-N 359.291 -0.010 10 10 FBCE in-vitro COCCN1C(=O)c2ccc(C(=O)OCC(=O)C(C)=O)cc2S1(=O)=O 808506708 QNIKZIHUMYLUMO-UHFFFAOYSA-N 369.351 -0.208 10 10 FBCE Cn1cncc1[C@H](CO)NC(=O)c1cc(NS(C)(=O)=O)ccc1O 1454159629 AACQUVBBHHFKRY-NSHDSACASA-N 354.388 -0.039 10 10 FBCE O=C(Cc1ccc(O)c(O)c1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 1587306622 IWEZFKPWOKOOGN-ZDUSSCGKSA-N 354.428 -0.028 10 10 FBCE COc1ccc(N2CCN(C[C@H](O)CNC[C@](C)(O)CO)CC2)cc1 843081675 SMUHMHCDDWUNGX-AEFFLSMTSA-N 353.463 -0.489 10 10 FBCE CN(C)C(=O)CNC(=O)C(=O)NCc1cc(Br)ccc1O 807387007 UWWIAGRFIZEEKK-UHFFFAOYSA-N 358.192 -0.025 10 10 FBCE CNS(=O)(=O)c1cc(NS(=O)(=O)CCC(=O)OC)ccc1O 811700161 GYEKIHFEYOJMIE-UHFFFAOYSA-N 352.390 -0.395 10 10 FBCE COC(=O)C1(O)C[C@@H](O)C(OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H](O)C1 84154451 SMFKCIHIAHWGGL-JUEQGWKHSA-N 368.338 -0.558 10 10 FBCE biogenic,in-vitro COc1ccc(N2CCN(C[C@@H](O)CNC[C@@](C)(O)CO)CC2)cc1 843081676 SMUHMHCDDWUNGX-FUHWJXTLSA-N 353.463 -0.489 10 10 FBCE NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)CN3CC(=O)NC3=O)cc2)C1 732275274 VKXZEMVZUIKDTB-CYBMUJFWSA-N 373.413 -0.444 10 10 FBCE COc1ccc(N2CCN(C[C@H](O)CNC[C@H](O)[C@@H](C)O)CC2)cc1 872224640 HNWRQWJUEWVVAT-KYJSFNMBSA-N 353.463 -0.491 10 10 FBCE CC(=O)N1CCN(c2ccc(CNC(=O)[C@@H]3CN(C)C(=O)CN3)cc2)CC1 1341079158 IDLXQUNSEPZIFR-KRWDZBQOSA-N 373.457 -0.599 10 10 FBCE Cn1cncc1[C@@H](CO)NC(=O)c1cc(NS(C)(=O)=O)ccc1O 1454159624 AACQUVBBHHFKRY-LLVKDONJSA-N 354.388 -0.039 10 10 FBCE CN1CCCc2cc(CNC(=O)[C@@H]3CS(=O)(=O)CC(=O)N3)ccc21 931152519 UVYBOYDOIUOKHS-ZDUSSCGKSA-N 351.428 -0.402 10 10 FBCE COc1ccc(N2CC[C@H](NC(=O)C(=O)NC[C@@H]3CNCCO3)C2)cc1 851689163 LMMPNFAQSNLLGV-BBRMVZONSA-N 362.430 -0.505 10 10 FBCE CCNC(=O)CN1CCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)CC1 1330385916 NYAUJGFIQIKVLB-UHFFFAOYSA-N 360.414 -0.485 10 10 FBCE COc1ccc(N2CC[C@H](NC(=O)C(=O)NCCS(C)(=O)=O)C2)cc1 827087139 KRHODDRDGKPFND-LBPRGKRZSA-N 369.443 -0.449 10 10 FBCE COc1ccc(N2CCN(C(=O)CCNC(=O)CO)CC2)c(OC)c1 913482368 NHAWNPMDFVOLSC-UHFFFAOYSA-N 351.403 -0.149 10 10 FBCE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NC[C@@H](O)CN 2126188320 XMRGAJUNHYRTKQ-RYUDHWBXSA-N 369.418 -0.031 10 10 FBCE COC(=O)[C@@H]1O[C@@H](OC(C)=O)[C@@H](N=[N+]=[N-])[C@H](OC(C)=O)[C@H]1OC(C)=O 604970535 MPMKPOBPFWONGP-ZTVLKNOQSA-N 359.291 -0.010 10 10 FBCE in-vitro COc1ccc(N2CCN(C(=O)C(=O)N3CC(CO)C3)CC2)cc1F 1325746451 FBNUAKPNGNWVLZ-UHFFFAOYSA-N 351.378 -0.066 10 10 FBCE O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)C1=CNC(CO)(CO)CO 2297219035 GBFLLINKZCAFII-UHFFFAOYSA-N 369.761 -0.888 10 10 FBCE CN(C)c1ccc([C@@H](CNC(=O)NCCS(N)(=O)=O)N(C)C)cc1 1685609630 OTYJFLYTQFOPHD-CQSZACIVSA-N 357.480 -0.057 10 10 FBCE Cc1n[nH]c(C)c1S(=O)(=O)NCCNC(=O)c1cc(O)c(O)c(O)c1 169911830 ZQDVYOFUAOJNNF-UHFFFAOYSA-N 370.387 -0.148 10 10 FBCE COc1ccc(N2CCN(C[C@H](O)CNC[C@@H](O)[C@H](C)O)CC2)cc1 872224643 HNWRQWJUEWVVAT-YXJHDRRASA-N 353.463 -0.491 10 10 FBCE COc1ccc(N2CCN(C(=O)CN3CCN(C)[C@H](CO)C3)CC2)cc1 931410271 KWYFAZLVNZVOIH-KRWDZBQOSA-N 362.474 -0.048 10 10 FBCE CC(C)(O)[C@H](O)C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 1628921606 VQRRHZZLZFNJEN-CQSZACIVSA-N 356.444 -0.331 10 10 FBCE COCCOC(=O)C[C@H]1C(=O)NCCN1C=C1C(=O)OC(C)(C)OC1=O 10213624 DKUNDMKECDHYGS-NSHDSACASA-N 370.358 -0.914 10 10 FBCE COc1ccc(N2CC[C@@H](CNC(=O)C(=O)N3CCNC(=O)CC3)C2)cc1 1332041666 ASGZJOZITQHABH-AWEZNQCLSA-N 374.441 -0.014 10 10 FBCE C[C@H](NC(=O)Cn1cnnn1)C(=O)N1CCOc2cc(N(C)C)ccc21 1465409716 FFYXXQMPTFTFTN-NSHDSACASA-N 359.390 -0.331 10 10 FBCE CCN1CCN(c2ccc(CNC(=O)[C@H](CO)NC(N)=O)cc2F)CC1 1144592697 OOTNMEOSYQBYOJ-AWEZNQCLSA-N 367.425 -0.387 10 10 FBCE O=C(C=Cc1ccc(O)c(O)c1)O[C@H]1C[C@@](O)(C(=O)O)C[C@H](O)[C@@H]1O 2297475370 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CN1CCCc2cc(CNC(=O)C(=O)N3CC[C@H](NC(N)=O)C3)ccc21 1257534718 AZKASOUCCQATGS-AWEZNQCLSA-N 359.430 -0.046 10 10 FBCE CN(c1nnnn1Cc1ccc(N2CCOCC2)cc1)[C@H]1CCNC1=O 1334005629 BDIWKNZXDJXGDB-HNNXBMFYSA-N 357.418 -0.117 10 10 FBCE Cn1cc(/C=C/C(=O)OCC(=O)c2ccc(O)c(O)c2)c(=O)n(C)c1=O 782618687 JNVOSWXKJUOERZ-GQCTYLIASA-N 360.322 -0.066 10 10 FBCE COc1ccc(CN2C(=O)NC(=O)C(=CNN3CCOCC3)C2=O)cc1 2295923793 ZRFLSYFEJWZZKS-UHFFFAOYSA-N 360.370 -0.006 10 10 FBCE COc1ccc(N2CC[C@@H](NC(=O)CNS(=O)(=O)N(C)C)C2)cc1 855227484 XAAMRCUSVJAWAL-GFCCVEGCSA-N 356.448 -0.214 10 10 FBCE CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)Cc1ccc(O)c(O)c1 1141374474 FHWZHLQDEMNTIU-LBPRGKRZSA-N 370.427 -0.208 10 10 FBCE C[C@H](CNC(=O)NCc1ccc(N2CCOCC2)cc1)S(N)(=O)=O 799889459 PUICRUFMJQGJFJ-GFCCVEGCSA-N 356.448 -0.001 10 10 FBCE CN(C)c1ccc(CNC(=O)C(=O)NCCC2CS(=O)(=O)C2)cc1 1117606932 DXXADYQFRPIVKO-UHFFFAOYSA-N 353.444 -0.080 10 10 FBCE CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1OCCN(C)C1=O 1447347106 JNGKWVVZIOLBMY-FZMZJTMJSA-N 366.370 -0.455 10 10 FBCE COc1cc(N2CCN3[C@H](CNS3(=O)=O)C2)c([N+](=O)[O-])cc1OC 1612963311 OGRKGCAEIYFPTM-SECBINFHSA-N 358.376 -0.049 10 10 FBCE O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C=C(C(=O)O)O[C@H](C(=O)O)[C@@H]1O 67913498 ZQFOLQKZDARIIB-CZNKRCTLSA-N 366.278 -0.164 10 10 FBCE biogenic COc1ccc(N2CCN(C(=O)CNC(=O)C(=O)NC(C)C)CC2)cc1 243315026 LJYHYMVSYIBUBF-UHFFFAOYSA-N 362.430 -0.015 10 10 FBCE O=C(NCc1ccc(N2CCOCC2)c(F)c1)C(=O)N[C@H]1CCNC1=O 827196053 DEZFNSLYJOPPDX-ZDUSSCGKSA-N 364.377 -0.717 10 10 FBCE Cn1nccc1[C@@H](CO)NC(=O)c1cc(NS(C)(=O)=O)ccc1O 857535678 FSRNEQVEAIQKDU-LLVKDONJSA-N 354.388 -0.039 10 10 FBCE CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N1CCO[C@@H](CC(N)=O)C1 859277697 YRAHQTZGAYLAJV-HNNXBMFYSA-N 362.430 -0.186 10 10 FBCE Cc1nc(S(=O)(=O)NCC(=O)NCc2c(O)cccc2O)cn1C 1304051034 SFKJMNLZEFSSQS-UHFFFAOYSA-N 354.388 -0.266 10 10 FBCE CC(=O)N[C@@H](CC(=O)NCc1ccc(N2CCN(C)CC2)cc1)C(N)=O 1303085016 KIAZIJPLWLRAQY-INIZCTEOSA-N 361.446 -0.565 10 10 FBCE CN1CCN(c2ccc(CN3C[C@@H](C(N)=O)[C@H](C(N)=O)C3)cc2F)CC1 1331546470 BKVOJLUMHFVGBS-ZIAGYGMSSA-N 363.437 -0.404 10 10 FBCE C[C@@H](NC(=O)Cn1cnnn1)C(=O)N1CCOc2cc(N(C)C)ccc21 1618601472 FFYXXQMPTFTFTN-LLVKDONJSA-N 359.390 -0.331 10 10 FBCE COCCN1C(=O)C(=CNNc2nc(C)cc(C)n2)C(=O)NC1=S 2040476108 VVMRAWXYIBWBFW-UHFFFAOYSA-N 350.404 -0.216 10 10 FBCE COc1ccc(N2CC[C@@H](NC(=O)C(=O)NCC[S@](C)=O)C2)cc1 828011046 XYHITHBWBQPWQB-YYUOZPCZSA-N 353.444 -0.115 10 10 FBCE O=C(NCc1c(O)cccc1F)NC[C@@]12COCCN1C(=O)COC2 1471099380 KGVHIBZJKXVKON-INIZCTEOSA-N 353.350 -0.042 10 10 FBCE CC(C)(C)OC(=O)NCC(CO)(CO)NC(=O)c1cc(O)c(O)c(O)c1 2265770512 RKCDQSCXOJKNBA-UHFFFAOYSA-N 372.374 -0.219 10 10 FBCE COc1ccc(N2CC[C@@H](CNC(=O)C(=O)N(CCN)CCO)C2)cc1 818675307 AADHUIUTKCHZJA-AWEZNQCLSA-N 364.446 -0.583 10 10 FBCE CNS(=O)(=O)NCC(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1 819590055 IDCAVYPRDRDTFS-GFCCVEGCSA-N 356.448 -0.309 10 10 FBCE CC(C)NC(=O)CNS(=O)(=O)CCC(=O)NCc1ccccc1O 1630363293 MVMSYQPLJWFKDF-UHFFFAOYSA-N 357.432 -0.158 10 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1330869495 BEJIRSYAHQCUDH-CZUORRHYSA-N 363.414 -0.078 10 10 FBCE O=C(NC1CCN(C(=O)c2ccc(=O)[nH]n2)CC1)c1cc(O)c(O)c(O)c1 169859751 CHSLZUPBXNRBJI-UHFFFAOYSA-N 374.353 -0.079 10 10 FBCE CN(C)S(=O)(=O)NC1CCN(C(=O)c2cc(O)c(O)c(O)c2)CC1 169892793 HIFJLMZLNJOVHF-UHFFFAOYSA-N 359.404 -0.196 10 10 FBCE CN1CCO[C@@H](C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)C1=O 1303723939 YKLFTKJWKSHTRK-INIZCTEOSA-N 374.441 -0.138 10 10 FBCE CNS(=O)(=O)NCC(=O)N1CCCN(c2ccc(OC)cc2)CC1 822656131 MGYYQOKDDUIANP-UHFFFAOYSA-N 356.448 -0.212 10 10 FBCE CN(C)c1ccc(CNC(=O)N2CCN(CC(N)=O)C(=O)C2)cc1F 838030174 WZXRXSWQPFZUQE-UHFFFAOYSA-N 351.382 -0.269 10 10 FBCE COc1ccc(N2CCN(C[C@@H](O)Cn3nc(CO)ccc3=O)CC2)cc1 1119066543 ZFRCIPSLSABFQM-QGZVFWFLSA-N 374.441 -0.073 10 10 FBCE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@@H](COc3nnc(=N)[nH]n3)O[C@H]2C1 2253977995 LUTQQCVPTLQPEU-GUBZILKMSA-N 354.367 -0.539 10 10 FBCE COC(=O)[C@@H]1O[C@H](OC(C)=O)[C@H](N=[N+]=[N-])[C@H](OC(C)=O)[C@@H]1OC(C)=O 255988250 MPMKPOBPFWONGP-LNSPPBFMSA-N 359.291 -0.010 10 10 FBCE O=C1NC(=O)N(CCc2ccccc2)C(=O)C1=CNCCN1CCNCC1 2296925408 CKONRNDVUYRWPZ-UHFFFAOYSA-N 371.441 -0.314 10 10 FBCE COc1ccc(N2CC[C@H](NC(=O)C(=O)NC[C@H]3COCCO3)C2)cc1 1330869493 BEJIRSYAHQCUDH-BBRMVZONSA-N 363.414 -0.078 10 10 FBCE CN1CCN(c2ccc(CNC(=O)NC[C@@H]3CC(C(N)=O)=NO3)cc2)CC1 1635181566 HLGZWLRXDJOSLD-HNNXBMFYSA-N 374.445 -0.132 10 10 FBCE O=C(NCc1ccc(N2CCOCC2)c(F)c1)C(=O)N1CC(CO)C1 789811734 GUUZNRDULSRDQE-UHFFFAOYSA-N 351.378 -0.271 10 10 FBCE CS(=O)(=O)Nc1ccc(O)c(C(=O)N[C@@H]2CCc3nnnn3CC2)c1 1557070657 XAJIKLQNVDOEIZ-SECBINFHSA-N 366.403 -0.115 10 10 FBCE NC(=O)[C@@H]1C[C@@H]1C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 1641098254 XSELHDJZHRDYDT-KGLIPLIRSA-N 351.428 -0.341 10 10 FBCE NC(=O)N=Nc1ccc(C(=O)N2CCN3[C@@H](CNS3(=O)=O)C2)cc1 1645249642 FKZWLNDFTICLKK-NSHDSACASA-N 352.376 -0.177 10 10 FBCE COc1cc(C(=O)N[C@@H]2CC[C@H](CNC(=O)CC(N)=O)C2)cc(OC)n1 1739861937 MEISIEGXRQBILT-CMPLNLGQSA-N 364.402 -0.011 10 10 FBCE Cn1c(=O)c2c(ncn2CCNCCc2ccc(O)c(O)c2)n(C)c1=O 33856749 DVFVMAOITIWLFK-UHFFFAOYSA-N 359.386 -0.323 10 10 FBCE COc1ccc(N2CCN(CCNC(=S)NCC(N)=O)CC2)cc1 727083467 BXQGJSNAJPXNBO-UHFFFAOYSA-N 351.476 -0.233 10 10 FBCE CNC(=O)NC[C@H]1CN(CC(=O)NCc2ccc(N(C)C)cc2)CCO1 859491036 RJXHXIXTGCCTBW-INIZCTEOSA-N 363.462 -0.001 10 10 FBCE C[C@@H](CNC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1)S(N)(=O)=O 773859496 VGFJCHREJCUWNU-WDEREUQCSA-N 356.448 -0.277 10 10 FBCE