COc1cccc2c1cc([N+](=O)[O-])c1c(C(=O)O)cc3c(c12)OCO3 ZINC000000000052 34/29/72/295342972 BBFQZRXNYIEMAW-UHFFFAOYSA-N -1 341.275 EG 3.337 0 Bother ref EGBARM COc1cccc2c1cc([N+](=O)[O-])c1c(C(=O)[O-])cc3c(c12)OCO3 in-vitro biogenic C[n+]1cc2c3c(ccc2c2ccc4cc5c(cc4c21)OCO5)OCO3 ZINC000000000706 49/21/51/452492151 INVGWHRKADIJHF-UHFFFAOYSA-N 1 332.335 EG 3.428 0 Bother ref EGBARO C[n+]1cc2c3c(ccc2c2ccc4cc5c(cc4c21)OCO5)OCO3 in-man aggregator endogenous COc1ccc(/C=C/C(=O)Nc2ccccc2C(=O)O)cc1OC ZINC000000000797 49/13/06/452491306 NZHGWWWHIYHZNX-CSKARUKUSA-N -1 327.336 EG 3.054 0 Anodyne ref EGAARM COc1ccc(/C=C/C(=O)Nc2ccccc2C(=O)[O-])cc1OC world 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 COc1ccc2c(c1O)-c1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3 ZINC000000056792 49/67/87/452496787 QELDJEKNFOQJOY-ZDUSSCGKSA-N 1 341.407 EG 3.17 1 Anodyne mid EGAAMO COc1ccc2c(c1O)-c1c(OC)c(OC)cc3c1[C@H](C2)[N@@H+](C)CC3 in-man endogenous COc1ccc2c(c1O)-c1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3 ZINC000000056792 49/67/79/452496779 QELDJEKNFOQJOY-ZDUSSCGKSA-N 1 341.407 EG 3.17 1 Anodyne mid EGAAMO COc1ccc2c(c1O)-c1c(OC)c(OC)cc3c1[C@H](C2)[N@H+](C)CC3 in-man endogenous COc1ccc2c(c1O)-c1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3 ZINC000000056792 49/67/74/452496774 QELDJEKNFOQJOY-ZDUSSCGKSA-N 1 341.407 EG 3.17 0 Anodyne ref EGAARO COc1ccc2c(c1O)-c1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3 in-man endogenous COc1ccc2c(c1O)-c1c(OC)c(OC)cc3c1[C@@H](C2)N(C)CC3 ZINC000000056794 49/60/27/452496027 QELDJEKNFOQJOY-CYBMUJFWSA-N 1 341.407 EG 3.17 1 Anodyne mid EGAAMO COc1ccc2c(c1O)-c1c(OC)c(OC)cc3c1[C@@H](C2)[N@@H+](C)CC3 COc1ccc2c(c1O)-c1c(OC)c(OC)cc3c1[C@@H](C2)N(C)CC3 ZINC000000056794 49/60/23/452496023 QELDJEKNFOQJOY-CYBMUJFWSA-N 1 341.407 EG 3.17 1 Anodyne mid EGAAMO COc1ccc2c(c1O)-c1c(OC)c(OC)cc3c1[C@@H](C2)[N@H+](C)CC3 COc1ccc2c(c1O)-c1c(OC)c(OC)cc3c1[C@@H](C2)N(C)CC3 ZINC000000056794 49/60/06/452496006 QELDJEKNFOQJOY-CYBMUJFWSA-N 1 341.407 EG 3.17 0 Anodyne ref EGAARO COc1ccc2c(c1O)-c1c(OC)c(OC)cc3c1[C@@H](C2)N(C)CC3 CC1(C)Cc2c(sc(NC(=O)Nc3ccccc3)c2C(N)=O)CO1 ZINC000000267465 54/99/32/452549932 IDYHRMITSUOUJS-UHFFFAOYSA-N 0 345.424 EG 3.342 0 Anodyne ref EGAARN CC1(C)Cc2c(sc(NC(=O)Nc3ccccc3)c2C(N)=O)CO1 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 CC(C)N(CC[C@@](C(N)=O)(c1ccccc1)c1ccccn1)C(C)C ZINC000001530617 66/74/85/452667485 UVTNFZQICZKOEM-OAQYLSRUSA-N 1 339.483 EG 3.362 0 Anodyne ref EGAARO CC(C)[NH+](CC[C@@](C(N)=O)(c1ccccc1)c1ccccn1)C(C)C fda CC(C)N(CC[C@](C(N)=O)(c1ccccc1)c1ccccn1)C(C)C ZINC000001530618 66/68/88/452666888 UVTNFZQICZKOEM-NRFANRHFSA-N 1 339.483 EG 3.362 0 Anodyne ref EGAARO CC(C)[NH+](CC[C@](C(N)=O)(c1ccccc1)c1ccccn1)C(C)C fda CCCNC[C@H](O)COc1ccccc1C(=O)CCc1ccccc1 ZINC000001530759 66/80/91/452668091 JWHAUXFOSRPERK-SFHVURJKSA-N 1 341.451 EG 3.241 0 Anodyne ref EGAARO CCC[NH2+]C[C@H](O)COc1ccccc1C(=O)CCc1ccccc1 fda CCCNC[C@@H](O)COc1ccccc1C(=O)CCc1ccccc1 ZINC000001530760 66/67/77/452666777 JWHAUXFOSRPERK-GOSISDBHSA-N 1 341.451 EG 3.241 0 Anodyne ref EGAARO CCC[NH2+]C[C@@H](O)COc1ccccc1C(=O)CCc1ccccc1 fda 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 N=C(N/N=C/c1ccc(Cl)cc1)N/N=C/c1ccc(Cl)cc1 ZINC000002013227 68/38/42/452683842 MOOFYEJFXBSZGE-LQGKIZFRSA-N 0 334.21 EG 3.475 0 Mild ref EGEARN N=C(NN=Cc1ccc(Cl)cc1)NN=Cc1ccc(Cl)cc1 in-man CC(C)n1cnc2c(Nc3cccc(Cl)c3)nc(NCCO)nc21 ZINC000002391782 69/47/40/452694740 XZEFMZCNXDQXOZ-UHFFFAOYSA-N 0 346.822 EG 3.208 0 Anodyne ref EGAARN CC(C)n1cnc2c(Nc3cccc(Cl)c3)nc(NCCO)nc21 in-vivo 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 CCN(CC)CCOCCOC(=O)C1(c2ccccc2)CCCC1 ZINC000003830375 07/90/77/210079077 CFJMRBQWBDQYMK-UHFFFAOYSA-N 1 333.472 EG 3.4 0 Anodyne ref EGAARO CC[NH+](CC)CCOCCOC(=O)C1(c2ccccc2)CCCC1 in-man CC1=NN(c2ccccc2)C(=O)[C@H]1[C@H]1C(=O)N(c2ccccc2)N=C1C ZINC000004012065 10/05/71/210100571 FORCWSNQDMPPOC-HDICACEKSA-N 0 346.39 EG 3.064 2 Anodyne low EGAALN Cc1[nH]n(-c2ccccc2)c(=O)c1-c1c(C)[nH]n(-c2ccccc2)c1=O CC1=NN(c2ccccc2)C(=O)[C@H]1[C@H]1C(=O)N(c2ccccc2)N=C1C ZINC000004012065 10/05/68/210100568 FORCWSNQDMPPOC-HDICACEKSA-N -1 346.39 EG 3.064 1 Anodyne mid EGAAMM Cc1[n-]n(-c2ccccc2)c(=O)c1-c1c(C)[nH]n(-c2ccccc2)c1=O CC1=NN(c2ccccc2)C(=O)[C@H]1[C@H]1C(=O)N(c2ccccc2)N=C1C ZINC000004012065 10/05/65/210100565 FORCWSNQDMPPOC-HDICACEKSA-N -2 346.39 EG 3.064 0 Anodyne ref EGAARL Cc1[n-]n(-c2ccccc2)c(=O)c1-c1c(C)[n-]n(-c2ccccc2)c1=O COc1ccc(-c2nc3cc(C4=NNC(=O)C[C@H]4C)ccc3[nH]2)cc1 ZINC000004170129 79/53/42/452795342 GLBJJMFZWDBELO-LLVKDONJSA-N 0 334.379 EG 3.099 1 Anodyne mid EGAAMN COc1ccc(-c2nc3ccc(C4=NNC(=O)C[C@H]4C)cc3[nH]2)cc1 in-man COc1ccc(-c2nc3cc(C4=NNC(=O)C[C@H]4C)ccc3[nH]2)cc1 ZINC000004170129 79/53/30/452795330 GLBJJMFZWDBELO-LLVKDONJSA-N 0 334.379 EG 3.099 0 Anodyne ref EGAARN COc1ccc(-c2nc3cc(C4=NNC(=O)C[C@H]4C)ccc3[nH]2)cc1 in-man COc1ccc(-c2nc3cc(C4=NNC(=O)C[C@@H]4C)ccc3[nH]2)cc1 ZINC000005071680 83/65/46/452836546 GLBJJMFZWDBELO-NSHDSACASA-N 0 334.379 EG 3.099 1 Anodyne mid EGAAMN COc1ccc(-c2nc3ccc(C4=NNC(=O)C[C@@H]4C)cc3[nH]2)cc1 in-man COc1ccc(-c2nc3cc(C4=NNC(=O)C[C@@H]4C)ccc3[nH]2)cc1 ZINC000005071680 83/65/36/452836536 GLBJJMFZWDBELO-NSHDSACASA-N 0 334.379 EG 3.099 0 Anodyne ref EGAARN COc1ccc(-c2nc3cc(C4=NNC(=O)C[C@@H]4C)ccc3[nH]2)cc1 in-man C/C=C(\C)C(=O)OC(C)(C)[C@@H]1Cc2c(ccc3ccc(=O)oc23)O1 ZINC000013480102 56/56/76/211565676 JRIBPWOXWIRQOQ-RILDOFPPSA-N 0 328.364 EG 3.385 0 Anodyne ref EGAARN C/C=C(\C)C(=O)OC(C)(C)[C@@H]1Cc2c(ccc3ccc(=O)oc23)O1 in-vitro biogenic O=C1Cc2c([nH]c3ccc(Br)cc23)-c2ncccc2N1 ZINC000013588927 27/57/14/280275714 NTSBZVCEIVPKBJ-UHFFFAOYSA-N 0 328.169 EG 3.487 0 Anodyne ref EGAARN O=C1Cc2c([nH]c3ccc(Br)cc23)-c2ncccc2N1 in-vivo O=c1sn(-c2cccc3ccccc23)c(=O)n1Cc1ccccc1 ZINC000013985228 23/05/58/285230558 PMJIHLSCWIDGMD-UHFFFAOYSA-N 0 334.4 EG 3.262 0 Anodyne ref EGAARN O=c1sn(-c2cccc3ccccc23)c(=O)n1Cc1ccccc1 investigational CC[C@]12C=CCN3CC[C@@]4(C(=C(C(=O)OC)C1)Nc1ccccc14)[C@@H]32 ZINC000014719345 54/22/74/453542274 FNGGIPWAZSFKCN-PCCBWWKXSA-N 1 336.435 EG 3.221 1 Anodyne mid EGAAMO CC[C@]12C=CC[N@@H+]3CC[C@@]4(C(=C(C(=O)OC)C1)Nc1ccccc14)[C@@H]32 in-vitro biogenic CC[C@]12C=CCN3CC[C@@]4(C(=C(C(=O)OC)C1)Nc1ccccc14)[C@@H]32 ZINC000014719345 54/22/65/453542265 FNGGIPWAZSFKCN-PCCBWWKXSA-N 1 336.435 EG 3.221 0 Anodyne ref EGAARO CC[C@]12C=CC[N@H+]3CC[C@@]4(C(=C(C(=O)OC)C1)Nc1ccccc14)[C@@H]32 in-vitro biogenic O=C1C=CC(=C2NC(c3ccncc3)=C(c3ccc(F)cc3)N2)C=C1 ZINC000014951176 51/81/67/546518167 NJNKPVPFGLGHPA-UHFFFAOYSA-N 1 331.35 EG 3.146 2 Mild low EGEALO O=C1C=CC(=C2NC(c3ccc(F)cc3)=C(c3ccncc3)[NH2+]2)C=C1 in-vivo O=C1C=CC(=C2NC(c3ccncc3)=C(c3ccc(F)cc3)N2)C=C1 ZINC000014951176 51/81/62/546518162 NJNKPVPFGLGHPA-UHFFFAOYSA-N 0 331.35 EG 3.146 1 Mild mid EGEAMN O=C1C=CC(=C2NC(c3ccncc3)=C(c3ccc(F)cc3)N2)C=C1 in-vivo O=C1C=CC(=C2NC(c3ccncc3)=C(c3ccc(F)cc3)N2)C=C1 ZINC000014951176 51/81/58/546518158 NJNKPVPFGLGHPA-UHFFFAOYSA-N 1 331.35 EG 3.146 0 Mild ref EGEARO O=C1C=CC(=C2NC(c3ccncc3)=C(c3ccc(F)cc3)[NH2+]2)C=C1 in-vivo NC1(Cc2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1 ZINC000016052630 59/20/97/453592097 RZIDZIGAXXNODG-UHFFFAOYSA-N 2 341.846 EG 3.152 1 Anodyne mid EGAAMP [NH3+]C1(Cc2ccc(Cl)cc2)CCN(c2[nH+]cnc3[nH]ccc23)CC1 in-vivo NC1(Cc2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1 ZINC000016052630 59/20/93/453592093 RZIDZIGAXXNODG-UHFFFAOYSA-N 1 341.846 EG 3.152 0 Anodyne ref EGAARO [NH3+]C1(Cc2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1 in-vivo 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 Cc1[nH]c2ccccc2c1CCNCc1ccc(/C=C/C(=O)NO)cc1 ZINC000022010649 27/00/23/212270023 FPOHNWQLNRZRFC-ZHACJKMWSA-N 1 349.434 EG 3.327 0 Mild ref EGEARO Cc1[nH]c2ccccc2c1CC[NH2+]Cc1ccc(/C=C/C(=O)NO)cc1 fda COc1cc2c(cc1OC)[C@@H]1Cc3ccc(OC)c(O)c3CN1CC2 ZINC000031997771 08/94/41/560089441 DKBYSDUFSXFXMP-INIZCTEOSA-N 1 341.407 EG 3.074 2 Clean low EGCELO COc1cc2c(cc1OC)[C@@H]1Cc3ccc(OC)c(O)c3C[N@@H+]1CC2 in-vitro biogenic COc1cc2c(cc1OC)[C@@H]1Cc3ccc(OC)c(O)c3CN1CC2 ZINC000031997771 08/94/40/560089440 DKBYSDUFSXFXMP-INIZCTEOSA-N 1 341.407 EG 3.074 2 Clean low EGCELO COc1cc2c(cc1OC)[C@@H]1Cc3ccc(OC)c(O)c3C[N@H+]1CC2 in-vitro biogenic COc1cc2c(cc1OC)[C@@H]1Cc3ccc(OC)c(O)c3CN1CC2 ZINC000031997771 08/94/39/560089439 DKBYSDUFSXFXMP-INIZCTEOSA-N 0 341.407 EG 3.074 0 Clean ref EGCERN COc1cc2c(cc1OC)[C@@H]1Cc3ccc(OC)c(O)c3CN1CC2 in-vitro biogenic CN(C)CCCNC(=O)c1ccc(-c2cc(O)c3ncccc3c2)cc1 ZINC000036380977 09/22/07/213092207 QDBVSOZTVKXUES-UHFFFAOYSA-N 1 349.434 EG 3.289 0 Anodyne ref EGAARO C[NH+](C)CCCNC(=O)c1ccc(-c2cc(O)c3ncccc3c2)cc1 in-vitro O=C(c1cccc(Br)c1)N1CCC(N2CCCC2)CC1 ZINC000038102118 39/48/61/202394861 OWGLFIKZKQOYHZ-UHFFFAOYSA-N 1 337.261 EG 3.15 0 Anodyne ref EGAARO O=C(c1cccc(Br)c1)N1CCC([NH+]2CCCC2)CC1 in-vitro CCCCCCCCCC[C@H](C(=O)O)[C@]1(C(=O)O)CCC(=O)O1 ZINC000038139796 94/00/24/453940024 TUXHHVJPGQUPCF-DYVFJYSZSA-N -2 328.405 EG 3.378 0 Mild ref EGEARL CCCCCCCCCC[C@H](C(=O)[O-])[C@]1(C(=O)[O-])CCC(=O)O1 in-vitro biogenic c1cc(Nc2cc(C3CC3)[nH]n2)nc(Nc2ccc3nc[nH]c3c2)n1 ZINC000040163635 27/78/31/213277831 WJNBSTLIALIIEW-UHFFFAOYSA-N 1 332.371 EG 3.441 2 Anodyne low EGAALO c1cc(Nc2cc(C3CC3)[nH]n2)nc(Nc2ccc3[nH]c[nH+]c3c2)n1 in-vivo c1cc(Nc2cc(C3CC3)[nH]n2)nc(Nc2ccc3nc[nH]c3c2)n1 ZINC000040163635 27/78/27/213277827 WJNBSTLIALIIEW-UHFFFAOYSA-N 1 332.371 EG 3.441 1 Anodyne mid EGAAMO c1cc(Nc2cc(C3CC3)[nH]n2)nc(Nc2ccc3nc[nH]c3c2)n1 in-vivo c1cc(Nc2cc(C3CC3)[nH]n2)nc(Nc2ccc3nc[nH]c3c2)n1 ZINC000040163635 27/78/21/213277821 WJNBSTLIALIIEW-UHFFFAOYSA-N 0 332.371 EG 3.441 0 Anodyne ref EGAARN c1cc(Nc2cc(C3CC3)[nH]n2)nc(Nc2ccc3[nH]cnc3c2)n1 in-vivo C=C1CC[C@H]2[C@@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@H]1C/C=C1/C=COC1=O ZINC000055161798 28/19/74/214281974 YIIRVUDGRKEWBV-AUTUICGMSA-N 0 332.44 EG 3.115 0 Mild ref EGEARN C=C1CC[C@H]2[C@@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@H]1C/C=C1/C=COC1=O CC[C@]12C=CCN3CC[C@]4(C(=C(C(=O)OC)C1)Nc1ccccc14)[C@@H]32 ZINC000056871302 39/26/07/214392607 FNGGIPWAZSFKCN-ACRUOGEOSA-N 1 336.435 EG 3.221 1 Anodyne mid EGAAMO CC[C@]12C=CC[N@@H+]3CC[C@]4(C(=C(C(=O)OC)C1)Nc1ccccc14)[C@@H]32 in-vitro biogenic CC[C@]12C=CCN3CC[C@]4(C(=C(C(=O)OC)C1)Nc1ccccc14)[C@@H]32 ZINC000056871302 39/26/04/214392604 FNGGIPWAZSFKCN-ACRUOGEOSA-N 1 336.435 EG 3.221 0 Anodyne ref EGAARO CC[C@]12C=CC[N@H+]3CC[C@]4(C(=C(C(=O)OC)C1)Nc1ccccc14)[C@@H]32 in-vitro biogenic CCC1=C[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@@](C(=O)OC)(C2)[C@@H]13 ZINC000057297068 11/92/83/454119283 CMKFQVZJOWHHDV-NQZBTDCJSA-N 0 336.435 EG 3.175 1 Anodyne mid EGAAMN CCC1=C[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@@](C(=O)OC)(C2)[C@@H]13 investigational biogenic CCC1=C[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@@](C(=O)OC)(C2)[C@@H]13 ZINC000057297068 11/92/80/454119280 CMKFQVZJOWHHDV-NQZBTDCJSA-N 1 336.435 EG 3.175 1 Anodyne mid EGAAMO CCC1=C[C@@H]2C[N@H+]3CCc4c([nH]c5ccccc45)[C@@](C(=O)OC)(C2)[C@@H]13 investigational biogenic CCC1=C[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@@](C(=O)OC)(C2)[C@@H]13 ZINC000057297068 11/92/75/454119275 CMKFQVZJOWHHDV-NQZBTDCJSA-N 1 336.435 EG 3.175 0 Anodyne ref EGAARO CCC1=C[C@@H]2C[N@@H+]3CCc4c([nH]c5ccccc45)[C@@](C(=O)OC)(C2)[C@@H]13 investigational biogenic Cc1cc(Nc2nc(N[C@@H](C)c3ncc(F)cn3)ncc2Cl)[nH]n1 ZINC000058631551 22/24/40/454222440 PDOQBOJDRPLBQU-QMMMGPOBSA-N 0 348.773 EG 3.007 0 Anodyne ref EGAARN Cc1cc(Nc2nc(N[C@@H](C)c3ncc(F)cn3)ncc2Cl)n[nH]1 investigational C=C1CC[C@H]2[C@@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@@H]1C/C=C1/C=COC1=O ZINC000059586751 25/99/77/454259977 YIIRVUDGRKEWBV-ORTKAQMXSA-N 0 332.44 EG 3.115 0 Mild ref EGEARN C=C1CC[C@H]2[C@@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@@H]1C/C=C1/C=COC1=O in-vitro biogenic Cc1cc(Nc2nc(N[C@H](C)c3ncc(F)cn3)ncc2Cl)n[nH]1 ZINC000066099927 01/04/93/215010493 PDOQBOJDRPLBQU-MRVPVSSYSA-N 0 348.773 EG 3.007 0 Anodyne ref EGAARN Cc1cc(Nc2nc(N[C@H](C)c3ncc(F)cn3)ncc2Cl)n[nH]1 Cn1cc(-c2ccc3ncc(Cc4ccc5ncccc5c4)n3n2)cn1 ZINC000066166253 66/37/90/454663790 RNCNPRCUHHDYPC-UHFFFAOYSA-N 0 340.39 EG 3.269 0 Anodyne ref EGAARN Cn1cc(-c2ccc3ncc(Cc4ccc5ncccc5c4)n3n2)cn1 in-vitro CCCCCCCCCC[C@@H](C(=O)O)[C@]1(C(=O)O)CCC(=O)O1 ZINC000067957228 01/12/22/258011222 TUXHHVJPGQUPCF-GUYCJALGSA-N -2 328.405 EG 3.378 0 Mild ref EGEARL CCCCCCCCCC[C@@H](C(=O)[O-])[C@]1(C(=O)[O-])CCC(=O)O1 in-vitro CCCCCCCCCC[C@@H](C(=O)O)[C@@]1(C(=O)O)CCC(=O)O1 ZINC000067957230 01/11/00/258011100 TUXHHVJPGQUPCF-SUMWQHHRSA-N -2 328.405 EG 3.378 0 Mild ref EGEARL CCCCCCCCCC[C@@H](C(=O)[O-])[C@@]1(C(=O)[O-])CCC(=O)O1 in-vitro CCCCCCCCCC[C@H](C(=O)O)[C@@]1(C(=O)O)CCC(=O)O1 ZINC000067957232 01/15/19/258011519 TUXHHVJPGQUPCF-CXAGYDPISA-N -2 328.405 EG 3.378 0 Mild ref EGEARL CCCCCCCCCC[C@H](C(=O)[O-])[C@@]1(C(=O)[O-])CCC(=O)O1 in-vitro CCn1cc(C(=O)O)c(=O)c2c(N)c(F)c(NC3CCCCC3)cc21 ZINC000068248381 01/07/66/454010766 MOMCHYGXXYBDCD-UHFFFAOYSA-N 0 347.39 EG 3.186 2 Anodyne low EGAALN CCn1cc(C(=O)O)c(=O)c2c(N)c(F)c(NC3CCCCC3)cc21 in-vitro CCn1cc(C(=O)O)c(=O)c2c(N)c(F)c(NC3CCCCC3)cc21 ZINC000068248381 01/07/64/454010764 MOMCHYGXXYBDCD-UHFFFAOYSA-N -1 347.39 EG 3.186 0 Anodyne ref EGAARM CCn1cc(C(=O)[O-])c(=O)c2c(N)c(F)c(NC3CCCCC3)cc21 in-vitro CC[C@]12C=CCN3CC[C@]4(C(=C(C(=O)OC)C1)Nc1ccccc14)[C@H]32 ZINC000071404424 20/61/52/454206152 FNGGIPWAZSFKCN-HKBOAZHASA-N 1 336.435 EG 3.221 1 Anodyne mid EGAAMO CC[C@]12C=CC[N@@H+]3CC[C@]4(C(=C(C(=O)OC)C1)Nc1ccccc14)[C@H]32 CC[C@]12C=CCN3CC[C@]4(C(=C(C(=O)OC)C1)Nc1ccccc14)[C@H]32 ZINC000071404424 20/61/43/454206143 FNGGIPWAZSFKCN-HKBOAZHASA-N 1 336.435 EG 3.221 0 Anodyne ref EGAARO CC[C@]12C=CC[N@H+]3CC[C@]4(C(=C(C(=O)OC)C1)Nc1ccccc14)[C@H]32 CC[C@@]12C=CCN3CC[C@@]4(C(=C(C(=O)OC)C1)Nc1ccccc14)[C@H]32 ZINC000071404425 20/64/11/454206411 FNGGIPWAZSFKCN-NJDAHSKKSA-N 1 336.435 EG 3.221 1 Anodyne mid EGAAMO CC[C@@]12C=CC[N@@H+]3CC[C@@]4(C(=C(C(=O)OC)C1)Nc1ccccc14)[C@H]32 CC[C@@]12C=CCN3CC[C@@]4(C(=C(C(=O)OC)C1)Nc1ccccc14)[C@H]32 ZINC000071404425 20/64/08/454206408 FNGGIPWAZSFKCN-NJDAHSKKSA-N 1 336.435 EG 3.221 0 Anodyne ref EGAARO CC[C@@]12C=CC[N@H+]3CC[C@@]4(C(=C(C(=O)OC)C1)Nc1ccccc14)[C@H]32 CC[C@]12C=CCN3CC[C@@]4(C(=C(C(=O)OC)C1)Nc1ccccc14)[C@H]32 ZINC000071404426 20/64/71/454206471 FNGGIPWAZSFKCN-QHAWAJNXSA-N 1 336.435 EG 3.221 1 Anodyne mid EGAAMO CC[C@]12C=CC[N@@H+]3CC[C@@]4(C(=C(C(=O)OC)C1)Nc1ccccc14)[C@H]32 CC[C@]12C=CCN3CC[C@@]4(C(=C(C(=O)OC)C1)Nc1ccccc14)[C@H]32 ZINC000071404426 20/64/66/454206466 FNGGIPWAZSFKCN-QHAWAJNXSA-N 1 336.435 EG 3.221 0 Anodyne ref EGAARO CC[C@]12C=CC[N@H+]3CC[C@@]4(C(=C(C(=O)OC)C1)Nc1ccccc14)[C@H]32 C=C1CC[C@H]2[C@@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@@H]1C/C=C1/C(=O)OC=C1O ZINC000071789488 21/77/35/454217735 QQCLBMUOIGPCDE-GEZDNLFLSA-N 0 348.439 EG 3.001 0 Mild ref EGEARN C=C1CC[C@H]2[C@@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@@H]1CC=C1C(=O)COC1=O O=C(NCc1cccc(O)c1)Nc1nc(-c2ccncc2)cs1 ZINC000072317687 20/04/59/203200459 GDVRVPIXWXOKQO-UHFFFAOYSA-N 0 326.381 EG 3.232 0 Anodyne ref EGAARN O=C(NCc1cccc(O)c1)Nc1nc(-c2ccncc2)cs1 in-vitro Cc1cc(OCCN2CCOCC2)nn1-c1ccc2ccccc2c1 ZINC000095000617 27/18/73/218271873 DGPGXHRHNRYVDH-UHFFFAOYSA-N 1 337.423 EG 3.045 2 Anodyne low EGAALO Cc1cc(OCC[NH+]2CCOCC2)nn1-c1ccc2ccccc2c1 in-vitro Cc1cc(OCCN2CCOCC2)nn1-c1ccc2ccccc2c1 ZINC000095000617 27/18/68/218271868 DGPGXHRHNRYVDH-UHFFFAOYSA-N 0 337.423 EG 3.045 0 Anodyne ref EGAARN Cc1cc(OCCN2CCOCC2)nn1-c1ccc2ccccc2c1 in-vitro CC1=NN(c2ccccc2)C(=O)[C@@H]1[C@H]1C(=O)N(c2ccccc2)N=C1C ZINC000100019264 46/32/55/454463255 FORCWSNQDMPPOC-ROUUACIJSA-N 0 346.39 EG 3.064 2 Anodyne low EGAALN Cc1[nH]n(-c2ccccc2)c(=O)c1-c1c(C)[nH]n(-c2ccccc2)c1=O CC1=NN(c2ccccc2)C(=O)[C@@H]1[C@H]1C(=O)N(c2ccccc2)N=C1C ZINC000100019264 46/32/50/454463250 FORCWSNQDMPPOC-ROUUACIJSA-N -1 346.39 EG 3.064 1 Anodyne mid EGAAMM Cc1[n-]n(-c2ccccc2)c(=O)c1-c1c(C)[nH]n(-c2ccccc2)c1=O CC1=NN(c2ccccc2)C(=O)[C@@H]1[C@H]1C(=O)N(c2ccccc2)N=C1C ZINC000100019264 46/32/37/454463237 FORCWSNQDMPPOC-ROUUACIJSA-N -2 346.39 EG 3.064 0 Anodyne ref EGAARL Cc1[n-]n(-c2ccccc2)c(=O)c1-c1c(C)[n-]n(-c2ccccc2)c1=O CC1=NN(c2ccccc2)C(=O)[C@H]1[C@@H]1C(=O)N(c2ccccc2)N=C1C ZINC000100019267 46/38/26/454463826 FORCWSNQDMPPOC-QZTJIDSGSA-N 0 346.39 EG 3.064 2 Anodyne low EGAALN Cc1[nH]n(-c2ccccc2)c(=O)c1-c1c(C)[nH]n(-c2ccccc2)c1=O CC1=NN(c2ccccc2)C(=O)[C@H]1[C@@H]1C(=O)N(c2ccccc2)N=C1C ZINC000100019267 46/38/23/454463823 FORCWSNQDMPPOC-QZTJIDSGSA-N -1 346.39 EG 3.064 1 Anodyne mid EGAAMM Cc1[n-]n(-c2ccccc2)c(=O)c1-c1c(C)[nH]n(-c2ccccc2)c1=O CC1=NN(c2ccccc2)C(=O)[C@H]1[C@@H]1C(=O)N(c2ccccc2)N=C1C ZINC000100019267 46/38/21/454463821 FORCWSNQDMPPOC-QZTJIDSGSA-N -2 346.39 EG 3.064 0 Anodyne ref EGAARL Cc1[n-]n(-c2ccccc2)c(=O)c1-c1c(C)[n-]n(-c2ccccc2)c1=O C[C@]12CC[C@H]3[C@@H](CC[C@@]45O[C@@H]4C(O)=C(C#N)C[C@]35C)[C@@H]1CC[C@@H]2O ZINC000100038546 94/14/36/264941436 KVJXBPDAXMEYOA-CXANFOAXSA-N 0 329.44 EG 3.467 0 Reactive ref EGGARN C[C@]12CC[C@H]3[C@@H](CC[C@@]45O[C@@H]4C(=O)C(C#N)C[C@]35C)[C@@H]1CC[C@@H]2O world CNc1nc(Nc2cn(C(C)(C)C#N)nc2C)ncc1C(F)(F)F ZINC000103260600 27/83/73/219278373 ZPPUMAMZIMPJGP-UHFFFAOYSA-N 0 339.325 EG 3.044 0 Mild ref EGEARN CNc1nc(Nc2cn(C(C)(C)C#N)nc2C)ncc1C(F)(F)F in-vitro CCOC(=O)c1cc2ccccc2n1S(=O)(=O)c1ccc(C)cc1 ZINC000137424121 77/90/54/454779054 OJMOGUKIYRAILM-UHFFFAOYSA-N 0 343.404 EG 3.363 0 Anodyne ref EGAARN CCOC(=O)c1cc2ccccc2n1S(=O)(=O)c1ccc(C)cc1 C[C@H](CS(C)(=O)=O)n1ccc2c(C(F)(F)F)c(C#N)ccc21 ZINC000208146348 01/92/40/456019240 SKDVMPZQJMZEAC-SECBINFHSA-N 0 330.331 EG 3.137 0 Mild ref EGEARN C[C@H](CS(C)(=O)=O)n1ccc2c(C(F)(F)F)c(C#N)ccc21 in-vitro C=C1CC[C@@H]2[C@](C)(CO)[C@H](O)CC[C@]2(C)[C@@H]1C/C=C1/C=COC1=O ZINC000225937180 10/70/25/456107025 YIIRVUDGRKEWBV-LDHNQTPXSA-N 0 332.44 EG 3.115 0 Mild ref EGEARN C=C1CC[C@@H]2[C@](C)(CO)[C@H](O)CC[C@]2(C)[C@@H]1C/C=C1/C=COC1=O C=C1CC[C@H]2[C@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@H]1C/C=C1/C=COC1=O ZINC000256013307 18/92/44/201189244 YIIRVUDGRKEWBV-FLQCZQAVSA-N 0 332.44 EG 3.115 0 Mild ref EGEARN C=C1CC[C@H]2[C@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@H]1C/C=C1/C=COC1=O C[C@@]12CC[C@@H]3[C@H](CC[C@@]45O[C@@H]4C(O)=C(C#N)C[C@]35C)[C@H]1CC[C@H]2O ZINC000301054310 12/17/02/267121702 KVJXBPDAXMEYOA-LNBFURQASA-N 0 329.44 EG 3.467 0 Reactive ref EGGARN C[C@@]12CC[C@@H]3[C@H](CC[C@@]45O[C@@H]4C(=O)C(C#N)C[C@]35C)[C@H]1CC[C@H]2O C[C@@]12CC[C@@H]3[C@H](CC[C@@]45O[C@@H]4C(O)=C(C#N)C[C@]35C)[C@H]1CC[C@@H]2O ZINC000301054311 12/16/51/267121651 KVJXBPDAXMEYOA-LNOYOUNLSA-N 0 329.44 EG 3.467 0 Reactive ref EGGARN C[C@@]12CC[C@@H]3[C@H](CC[C@@]45O[C@@H]4C(=O)C(C#N)C[C@]35C)[C@H]1CC[C@@H]2O C[C@]12CC[C@@H]3[C@H](CC[C@@]45O[C@@H]4C(O)=C(C#N)C[C@]35C)[C@H]1CC[C@H]2O ZINC000301054313 89/94/68/269899468 KVJXBPDAXMEYOA-WDALQOGOSA-N 0 329.44 EG 3.467 0 Reactive ref EGGARN C[C@]12CC[C@@H]3[C@H](CC[C@@]45O[C@@H]4C(=O)C(C#N)C[C@]35C)[C@H]1CC[C@H]2O