Fc1ccc([C@H]2CCNC[C@@H]2COc2ccc3c(c2)OCO3)cc1 ZINC000000007525 49/08/82/452490882 AHOUBRCZNHFOSL-RHSMWYFYSA-N 1 329.371 EG 3.327 0 Anodyne ref EGAARO Fc1ccc([C@H]2CC[NH2+]C[C@@H]2COc2ccc3c(c2)OCO3)cc1 investigational COc1cc(OC)c(OC)cc1/C=C1\Oc2cc(O)ccc2C1=O ZINC000000025569 49/18/00/452491800 DQTMJIUNXVVYJR-IDUWFGFVSA-N -1 328.32 EG 3.034 1 Mild mid EGEAMM COc1cc(OC)c(OC)cc1/C=C1\Oc2cc([O-])ccc2C1=O COc1cc(OC)c(OC)cc1/C=C1\Oc2cc(O)ccc2C1=O ZINC000000025569 49/17/90/452491790 DQTMJIUNXVVYJR-IDUWFGFVSA-N 0 328.32 EG 3.034 0 Mild ref EGEARN COc1cc(OC)c(OC)cc1/C=C1\Oc2cc(O)ccc2C1=O COc1ccc(/C=C2\Oc3cc(O)ccc3C2=O)c(OC)c1OC ZINC000000025570 49/14/13/452491413 JGOPTESGPYJSBC-NVNXTCNLSA-N -1 328.32 EG 3.034 1 Mild mid EGEAMM COc1ccc(/C=C2\Oc3cc([O-])ccc3C2=O)c(OC)c1OC COc1ccc(/C=C2\Oc3cc(O)ccc3C2=O)c(OC)c1OC ZINC000000025570 49/13/61/452491361 JGOPTESGPYJSBC-NVNXTCNLSA-N 0 328.32 EG 3.034 0 Mild ref EGEARN COc1ccc(/C=C2\Oc3cc(O)ccc3C2=O)c(OC)c1OC NC1=C(c2nc3ccccc3s2)C(=O)CN1CCc1ccccc1 ZINC000000132180 51/60/62/452516062 LLSLSHBHLUJZFY-UHFFFAOYSA-N 0 335.432 EG 3.051 0 Mild ref EGEARN NC1=C(c2nc3ccccc3s2)C(=O)CN1CCc1ccccc1 Cc1cc(OCC(=O)O)c2c(C)c(Cc3ccccc3)c(=O)oc2c1 ZINC000000454681 59/73/97/452597397 BUXSBYXHQMQTOF-UHFFFAOYSA-N -1 338.359 EG 3.464 0 Anodyne ref EGAARM Cc1cc(OCC(=O)[O-])c2c(C)c(Cc3ccccc3)c(=O)oc2c1 CC[C@]12CCCN3CC[C@]4(C(=C(C(=O)OC)C1)Nc1ccccc14)[C@@H]32 ZINC000000525687 61/41/50/452614150 GIGFIWJRTMBSRP-ACRUOGEOSA-N 1 338.451 EG 3.445 1 Anodyne mid EGAAMO CC[C@]12CCC[N@H+]3CC[C@]4(C(=C(C(=O)OC)C1)Nc1ccccc14)[C@@H]32 CC[C@]12CCCN3CC[C@]4(C(=C(C(=O)OC)C1)Nc1ccccc14)[C@@H]32 ZINC000000525687 61/41/31/452614131 GIGFIWJRTMBSRP-ACRUOGEOSA-N 1 338.451 EG 3.445 0 Anodyne ref EGAARO CC[C@]12CCC[N@@H+]3CC[C@]4(C(=C(C(=O)OC)C1)Nc1ccccc14)[C@@H]32 Fc1ccc([C@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1 ZINC000000527385 61/43/41/452614341 AHOUBRCZNHFOSL-WMLDXEAASA-N 1 329.371 EG 3.327 0 Anodyne ref EGAARO Fc1ccc([C@H]2CC[NH2+]C[C@H]2COc2ccc3c(c2)OCO3)cc1 investigational Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1 ZINC000000527386 61/42/65/452614265 AHOUBRCZNHFOSL-YOEHRIQHSA-N 1 329.371 EG 3.327 0 Anodyne ref EGAARO Fc1ccc([C@@H]2CC[NH2+]C[C@H]2COc2ccc3c(c2)OCO3)cc1 fda biogenic Fc1ccc([C@@H]2CCNC[C@@H]2COc2ccc3c(c2)OCO3)cc1 ZINC000000527387 61/44/54/452614454 AHOUBRCZNHFOSL-PBHICJAKSA-N 1 329.371 EG 3.327 0 Anodyne ref EGAARO Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2COc2ccc3c(c2)OCO3)cc1 investigational O=C(O)CNc1ccc(Br)cc1C(=O)c1ccccc1 ZINC000000527544 61/43/57/452614357 BPKWLSBWDQONQA-UHFFFAOYSA-N -1 334.169 EG 3.177 0 Clean ref EGCARM O=C([O-])CNc1ccc(Br)cc1C(=O)c1ccccc1 Cc1ccccc1C(=O)N1CCN(c2ccc(N)cc2Cl)CC1 ZINC000000529513 61/67/84/452616784 LVLZNWOFMMCTAT-UHFFFAOYSA-N 0 329.831 EG 3.193 0 Anodyne ref EGAARN Cc1ccccc1C(=O)N1CCN(c2ccc(N)cc2Cl)CC1 COC(=O)CNc1ccc(Br)cc1C(=O)c1ccccc1 ZINC000000532004 61/65/46/452616546 KFAFNRDRYLPBLG-UHFFFAOYSA-N 0 348.196 EG 3.265 0 Clean ref EGCARN COC(=O)CNc1ccc(Br)cc1C(=O)c1ccccc1 COC1=C(OC)C(=O)C(CCCCCCCCCCO)=C(C)C1=O ZINC000001542890 64/96/97/522649697 JGPMMRGNQUBGND-UHFFFAOYSA-N 0 338.444 EG 3.462 1 Mild mid EGEAMN COC1=C(OC)C(=O)C(CCCCCCCCCCO)=C(C)C1=O world COC1=C(OC)C(=O)C(CCCCCCCCCCO)=C(C)C1=O ZINC000001542890 64/96/78/522649678 JGPMMRGNQUBGND-UHFFFAOYSA-N 0 338.444 EG 3.462 0 Mild ref EGEARN COC1=C(OC)C(=O)C(C)C(=CCCCCCCCCCO)C1=O world O=C(CCCN1CCN(c2ccccn2)CC1)c1ccc(F)cc1 ZINC000002596977 70/67/69/452706769 XTKDAFGWCDAMPY-UHFFFAOYSA-N 1 327.403 EG 3.006 1 Anodyne mid EGAAMO O=C(CCC[NH+]1CCN(c2ccccn2)CC1)c1ccc(F)cc1 in-man O=C(CCCN1CCN(c2ccccn2)CC1)c1ccc(F)cc1 ZINC000002596977 70/67/56/452706756 XTKDAFGWCDAMPY-UHFFFAOYSA-N 0 327.403 EG 3.006 0 Anodyne ref EGAARN O=C(CCCN1CCN(c2ccccn2)CC1)c1ccc(F)cc1 in-man COc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2 ZINC000003779067 14/13/54/274141354 YBHILYKTIRIUTE-UHFFFAOYSA-N 1 336.367 EG 3.096 0 Anodyne ref EGAARO COc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2 world metabolite CC(=O)Nc1ccc(Nc2cc(Cl)c3nonc3c2[N+](=O)[O-])cc1 ZINC000004116727 12/30/53/210123053 GYZSEDZGVKTOGS-UHFFFAOYSA-N 0 347.718 EG 3.486 0 Bother ref EGBARN CC(=O)Nc1ccc(Nc2cc(Cl)c3nonc3c2[N+](=O)[O-])cc1 Nc1nn(Cc2ccc(Br)cc2)cc1Br ZINC000004298920 16/39/77/210163977 RELXPRZZRBQDLP-UHFFFAOYSA-N 0 331.011 EG 3.039 0 Anodyne ref EGAARN Nc1nn(Cc2ccc(Br)cc2)cc1Br COC(=O)c1ccc(Oc2c(C)oc3cc(O)ccc3c2=O)cc1 ZINC000005730181 89/90/30/452899030 XSBZKAXHWUDYHJ-UHFFFAOYSA-N 0 326.304 EG 3.386 2 Anodyne low EGAALN COC(=O)c1ccc(Oc2c(C)oc3cc(O)ccc3c2=O)cc1 COC(=O)c1ccc(Oc2c(C)oc3cc(O)ccc3c2=O)cc1 ZINC000005730181 89/90/24/452899024 XSBZKAXHWUDYHJ-UHFFFAOYSA-N -1 326.304 EG 3.386 0 Anodyne ref EGAARM COC(=O)c1ccc(Oc2c(C)oc3cc([O-])ccc3c2=O)cc1 COc1cc2c(c3oc(=O)c(CCC(=O)O)c(C)c13)CCC(C)(C)O2 ZINC000006645444 66/83/56/210668356 QJTJZLXNETXUGL-UHFFFAOYSA-N -1 346.379 EG 3.231 0 Anodyne ref EGAARM COc1cc2c(c3oc(=O)c(CCC(=O)[O-])c(C)c13)CCC(C)(C)O2 O=C(O)CC1(CNS(=O)(=O)c2ccc(Cl)cc2)CCCCC1 ZINC000008733327 23/13/30/453231330 PVRBTYSULFFZLN-UHFFFAOYSA-N -1 345.848 EG 3.044 0 Anodyne ref EGAARM O=C([O-])CC1(CNS(=O)(=O)c2ccc(Cl)cc2)CCCCC1 COc1cc(/C=C2\Oc3cc(O)ccc3C2=O)cc(OC)c1OC ZINC000012418462 37/45/17/211374517 BJFMTVYSEMXVAK-NSIKDUERSA-N -1 328.32 EG 3.034 1 Mild mid EGEAMM COc1cc(/C=C2\Oc3cc([O-])ccc3C2=O)cc(OC)c1OC COc1cc(/C=C2\Oc3cc(O)ccc3C2=O)cc(OC)c1OC ZINC000012418462 37/45/11/211374511 BJFMTVYSEMXVAK-NSIKDUERSA-N 0 328.32 EG 3.034 0 Mild ref EGEARN COc1cc(/C=C2\Oc3cc(O)ccc3C2=O)cc(OC)c1OC O=C(O)c1cc(=O)c2cc(Br)cc(Br)c2o1 ZINC000012428296 22/05/19/304220519 MBAHJVWHVARFAZ-UHFFFAOYSA-N -1 347.946 EG 3.016 0 Anodyne ref EGAARM O=C([O-])c1cc(=O)c2cc(Br)cc(Br)c2o1 O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)-c2c(O)c3ccccc3c(=O)n21 ZINC000015919780 15/11/86/304151186 FNAHVCQRCYNMPV-HNNXBMFYSA-N -1 346.342 EG 3.037 0 Anodyne ref EGAARM O=C([O-])[C@@H]1Cc2c([nH]c3ccccc23)-c2c(O)c3ccccc3c(=O)n21 COc1c2c(cc3c1[C@H](CC(=O)c1ccccc1)N(C)CC3)OCO2 ZINC000019701726 05/59/31/212055931 XBOWMTVNNBQTAS-HNNXBMFYSA-N 1 339.391 EG 3.226 2 Anodyne low EGAALO COc1c2c(cc3c1[C@H](CC(=O)c1ccccc1)[N@@H+](C)CC3)OCO2 COc1c2c(cc3c1[C@H](CC(=O)c1ccccc1)N(C)CC3)OCO2 ZINC000019701726 05/59/28/212055928 XBOWMTVNNBQTAS-HNNXBMFYSA-N 1 339.391 EG 3.226 2 Anodyne low EGAALO COc1c2c(cc3c1[C@H](CC(=O)c1ccccc1)[N@H+](C)CC3)OCO2 COc1c2c(cc3c1[C@H](CC(=O)c1ccccc1)N(C)CC3)OCO2 ZINC000019701726 05/59/23/212055923 XBOWMTVNNBQTAS-HNNXBMFYSA-N 0 339.391 EG 3.226 0 Anodyne ref EGAARN COc1c2c(cc3c1[C@H](CC(=O)c1ccccc1)N(C)CC3)OCO2 COc1c2c(cc3c1[C@@H](CC(=O)c1ccccc1)N(C)CC3)OCO2 ZINC000019701728 18/86/93/286188693 XBOWMTVNNBQTAS-OAHLLOKOSA-N 1 339.391 EG 3.226 2 Anodyne low EGAALO COc1c2c(cc3c1[C@@H](CC(=O)c1ccccc1)[N@@H+](C)CC3)OCO2 COc1c2c(cc3c1[C@@H](CC(=O)c1ccccc1)N(C)CC3)OCO2 ZINC000019701728 18/86/92/286188692 XBOWMTVNNBQTAS-OAHLLOKOSA-N 1 339.391 EG 3.226 2 Anodyne low EGAALO COc1c2c(cc3c1[C@@H](CC(=O)c1ccccc1)[N@H+](C)CC3)OCO2 COc1c2c(cc3c1[C@@H](CC(=O)c1ccccc1)N(C)CC3)OCO2 ZINC000019701728 18/86/91/286188691 XBOWMTVNNBQTAS-OAHLLOKOSA-N 0 339.391 EG 3.226 0 Anodyne ref EGAARN COc1c2c(cc3c1[C@@H](CC(=O)c1ccccc1)N(C)CC3)OCO2 COc1ccc2c(c1OC)CN1CCc3cc4c(cc3[C@@H]1C2)OCO4 ZINC000019701796 99/81/87/277998187 VZTUIEROBZXUFA-INIZCTEOSA-N 0 339.391 EG 3.088 0 Anodyne ref EGAARN COc1ccc2c(c1OC)CN1CCc3cc4c(cc3[C@@H]1C2)OCO4 in-vitro biogenic COc1ccc2c(c1OC)CN1CCc3cc4c(cc3[C@H]1C2)OCO4 ZINC000019701798 44/80/08/277448008 VZTUIEROBZXUFA-MRXNPFEDSA-N 0 339.391 EG 3.088 0 Anodyne ref EGAARN COc1ccc2c(c1OC)CN1CCc3cc4c(cc3[C@H]1C2)OCO4 in-vitro biogenic COc1c(C)c2c(c(OC)c1C/C=C(\C)CCC(=O)O)C(=O)OC2 ZINC000028824028 63/89/69/212638969 KPDDZPBBEIESMK-BJMVGYQFSA-N -1 334.368 EG 3.036 0 Anodyne ref EGAARM COc1c(C)c2c(c(OC)c1C/C=C(\C)CCC(=O)[O-])C(=O)OC2 in-vitro COc1ccc2c(Cn3cnc(Cl)c3Cl)cc(=O)oc2c1 ZINC000040162794 94/90/32/453949032 FGERGSUCLLSENO-UHFFFAOYSA-N 0 325.151 EG 3.353 0 Anodyne ref EGAARN COc1ccc2c(Cn3cnc(Cl)c3Cl)cc(=O)oc2c1 O=c1cc(Cn2cnc(Cl)c2Cl)c2cc3c(cc2o1)OCO3 ZINC000040162795 27/82/14/213278214 SLVQVTYYCKJUNE-UHFFFAOYSA-N 0 339.134 EG 3.073 0 Anodyne ref EGAARN O=c1cc(Cn2cnc(Cl)c2Cl)c2cc3c(cc2o1)OCO3 O=C(O)c1cnn(-c2ccc(Br)cc2)c1-n1cccc1 ZINC000044845999 27/98/20/304279820 XJBNVDSPVQJIJA-UHFFFAOYSA-N -1 332.157 EG 3.124 0 Anodyne ref EGAARM O=C([O-])c1cnn(-c2ccc(Br)cc2)c1-n1cccc1 O=C(O)c1cnn(-c2ccccc2Br)c1-n1cccc1 ZINC000044889913 65/89/27/213658927 TYRJDIWBHFATKR-UHFFFAOYSA-N -1 332.157 EG 3.124 0 Anodyne ref EGAARM O=C([O-])c1cnn(-c2ccccc2Br)c1-n1cccc1 O=C(O)c1cnn(-c2ccc(OC(F)(F)F)cc2)c1-n1cccc1 ZINC000044901554 12/59/40/454125940 PXIIFUNIAOAVPA-UHFFFAOYSA-N -1 337.257 EG 3.26 0 Anodyne ref EGAARM O=C([O-])c1cnn(-c2ccc(OC(F)(F)F)cc2)c1-n1cccc1 O=C(O)[C@H]1c2ccccc2C(=O)N(Cc2ccco2)C12CCCC2 ZINC000044921496 21/24/42/304212442 POZIYBSVYVDVDW-MRXNPFEDSA-N -1 325.364 EG 3.417 0 Anodyne ref EGAARM O=C([O-])[C@H]1c2ccccc2C(=O)N(Cc2ccco2)C12CCCC2 O=C(O)[C@@H]1c2ccccc2C(=O)N(Cc2ccco2)C12CCCC2 ZINC000044921499 12/70/26/454127026 POZIYBSVYVDVDW-INIZCTEOSA-N -1 325.364 EG 3.417 0 Anodyne ref EGAARM O=C([O-])[C@@H]1c2ccccc2C(=O)N(Cc2ccco2)C12CCCC2 O=C(O)c1[nH]nc(-c2cccc(Cl)c2)c1I ZINC000061714976 35/22/25/454352225 FFYAHBDVXHZADG-UHFFFAOYSA-N -1 348.527 EG 3.033 0 Anodyne ref EGAARM O=C([O-])c1n[nH]c(-c2cccc(Cl)c2)c1I COC(=O)c1c(Br)c(-c2ccc(Cl)cc2)nn1C ZINC000085345078 02/39/38/454023938 LGNYQCSJTZIIKS-UHFFFAOYSA-N 0 329.581 EG 3.29 0 Anodyne ref EGAARN COC(=O)c1c(Br)c(-c2ccc(Cl)cc2)nn1C COCc1nn2c(C)c(CCC(=O)O)c(C)nc2c1-c1ccccc1 ZINC000253398966 90/35/58/243903558 CLHOPAVSECBZAX-UHFFFAOYSA-N -1 339.395 EG 3.177 0 Anodyne ref EGAARM COCc1nn2c(C)c(CCC(=O)[O-])c(C)nc2c1-c1ccccc1