COc1cc2ccc(=O)oc2cc1OC ZINC000000002067 02/73/01/175027301 GUAFOGOEJLSQBT-UHFFFAOYSA-N 0 206.197 BD 1.81 0 Anodyne ref BDAARN COc1cc2ccc(=O)oc2cc1OC in-man endogenous CC(C)=CCn1cnc(N)c2ncnc1-2 ZINC000000002209 84/92/36/355849236 BEPGTHDUUROBHM-UHFFFAOYSA-N 0 203.249 BD 1.326 0 Anodyne ref BDAARN CC(C)=CCn1cnc(N)c2ncnc1-2 biogenic in-vivo C[C@@H]1N[C@H](C(=O)O)Cc2c1[nH]c1ccccc21 ZINC000000037830 81/98/05/383819805 ZUPHXNBLQCSEIA-CPCISQLKSA-N 0 230.267 BD 1.828 0 Anodyne ref BDAARN C[C@@H]1[NH2+][C@H](C(=O)[O-])Cc2c1[nH]c1ccccc21 in-man endogenous C[C@H]1N[C@H](C(=O)O)Cc2c1[nH]c1ccccc21 ZINC000000037831 27/24/83/188272483 ZUPHXNBLQCSEIA-HQJQHLMTSA-N 0 230.267 BD 1.828 0 Anodyne ref BDAARN C[C@H]1[NH2+][C@H](C(=O)[O-])Cc2c1[nH]c1ccccc21 in-man endogenous C[C@@H]1N[C@@H](C(=O)O)Cc2c1[nH]c1ccccc21 ZINC000000037832 81/92/09/383819209 ZUPHXNBLQCSEIA-WRWORJQWSA-N 0 230.267 BD 1.828 0 Anodyne ref BDAARN C[C@@H]1[NH2+][C@@H](C(=O)[O-])Cc2c1[nH]c1ccccc21 in-man endogenous C[C@H]1N[C@@H](C(=O)O)Cc2c1[nH]c1ccccc21 ZINC000000037833 98/89/64/187988964 ZUPHXNBLQCSEIA-RDDDGLTNSA-N 0 230.267 BD 1.828 0 Anodyne ref BDAARN C[C@H]1[NH2+][C@@H](C(=O)[O-])Cc2c1[nH]c1ccccc21 in-man endogenous CC(C)(O)[C@@H]1Cc2cc3ccc(=O)oc3cc2O1 ZINC000000051924 67/17/34/342671734 FWYSBEAFFPBAQU-LBPRGKRZSA-N 0 246.262 BD 1.867 0 Anodyne ref BDAARN CC(C)(O)[C@@H]1Cc2cc3ccc(=O)oc3cc2O1 in-man endogenous CC(=O)/C=C/[C@@]1(O)C(C)=CC(=O)CC1(C)C ZINC000000057359 30/10/82/187301082 JJRYPZMXNLLZFH-URWSZGRFSA-N 0 222.284 BD 1.808 0 Mild ref BDEARN CC(=O)/C=C/[C@@]1(O)C(C)=CC(=O)CC1(C)C in-man endogenous CC(=O)/C=C/[C@]1(O)C(C)=CC(=O)CC1(C)C ZINC000000057361 33/41/01/188334101 JJRYPZMXNLLZFH-GFUIURDCSA-N 0 222.284 BD 1.808 0 Mild ref BDEARN CC(=O)/C=C/[C@]1(O)C(C)=CC(=O)CC1(C)C in-man endogenous COc1cc(OC)c2ccc(=O)oc2c1 ZINC000000057754 00/97/49/175009749 NXJCRELRQHZBQA-UHFFFAOYSA-N 0 206.197 BD 1.81 0 Anodyne ref BDAARN COc1cc(OC)c2ccc(=O)oc2c1 in-man aggregator endogenous COc1cc(CCC(=O)O)cc(OC)c1OC ZINC000000073032 97/74/59/174977459 ZCYXGVJUZBKJAI-UHFFFAOYSA-N -1 240.255 BD 1.73 0 Anodyne ref BDAARM COc1cc(CCC(=O)[O-])cc(OC)c1OC in-man endogenous CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O ZINC000000080812 82/39/46/383823946 DZTHIGRZJZPRDV-LBPRGKRZSA-N -1 246.266 BD 1.3 0 Anodyne ref BDAARM CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] in-man endogenous CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O ZINC000000080814 41/09/13/574410913 DZTHIGRZJZPRDV-GFCCVEGCSA-N -1 246.266 BD 1.3 0 Anodyne ref BDAARM CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-] in-vitro endogenous COc1cc2ccc(=O)oc2c(O)c1O ZINC000000113309 02/66/32/175026632 HAVWRBANWNTOJX-UHFFFAOYSA-N -1 208.169 BD 1.213 3 Clean high BDCAHM COc1cc2ccc(=O)oc2c(O)c1[O-] in-vitro biogenic COc1cc2ccc(=O)oc2c(O)c1O ZINC000000113309 02/66/30/175026630 HAVWRBANWNTOJX-UHFFFAOYSA-N -1 208.169 BD 1.213 0 Clean ref BDCARM COc1cc2ccc(=O)oc2c(O)c1O in-vitro biogenic COc1ccc(/C=C/C(=O)O)cc1OC ZINC000000116202 04/75/59/175047559 HJBWJAPEBGSQPR-GQCTYLIASA-N -1 208.213 BD 1.802 0 Anodyne ref BDAARM COc1ccc(/C=C/C(=O)[O-])cc1OC in-man endogenous COc1cc(/C=C/C(=O)O)cc(OC)c1OC ZINC000000152561 93/98/45/174939845 YTFVRYKNXDADBI-SNAWJCMRSA-N -1 238.239 BD 1.81 0 Anodyne ref BDAARM COc1cc(/C=C/C(=O)[O-])cc(OC)c1OC in-man endogenous CCOC(=O)/C=C/c1ccc(O)c(OC)c1 ZINC000000160496 83/69/37/383836937 ATJVZXXHKSYELS-FNORWQNLSA-N 0 222.24 BD 1.977 0 Anodyne ref BDAARN CCOC(=O)/C=C/c1ccc(O)c(OC)c1 in-vitro biogenic COC(=O)c1cc(OC)c(O)c(OC)c1 ZINC000000394334 86/44/76/383864476 ZMXJAEGJWHJMGX-UHFFFAOYSA-N -1 212.201 BD 1.196 3 Anodyne high BDAAHM COC(=O)c1cc(OC)c([O-])c(OC)c1 biogenic in-vivo COC(=O)c1cc(OC)c(O)c(OC)c1 ZINC000000394334 86/44/67/383864467 ZMXJAEGJWHJMGX-UHFFFAOYSA-N 0 212.201 BD 1.196 0 Anodyne ref BDAARN COC(=O)c1cc(OC)c(O)c(OC)c1 biogenic in-vivo COc1ccc(/C=C/C(N)=O)cc1OC ZINC000000512526 04/72/50/175047250 QUKZILHYXHKAKT-GQCTYLIASA-N 0 207.229 BD 1.202 0 Anodyne ref BDAARN COc1ccc(/C=C/C(N)=O)cc1OC in-vitro biogenic CC(C)(O)[C@@H]1Cc2c(ccc3ccc(=O)oc23)O1 ZINC000000898179 45/46/58/188454658 YRAQEMCYCSSHJG-NSHDSACASA-N 0 246.262 BD 1.867 0 Anodyne ref BDAARN CC(C)(O)[C@@H]1Cc2c(ccc3ccc(=O)oc23)O1 aggregator in-vitro biogenic COc1cc2oc(=O)ccc2c(OC)c1OC ZINC000000898345 02/91/01/175029101 FOBNRKTURPWTQX-UHFFFAOYSA-N 0 236.223 BD 1.819 0 Anodyne ref BDAARN COc1cc2oc(=O)ccc2c(OC)c1OC in-vitro biogenic C[N+](C)(C)[C@@H](Cc1c[nH]c2ccccc12)C(=O)O ZINC000001531428 90/27/42/383902742 AOHCBEAZXHZMOR-ZDUSSCGKSA-O 0 247.318 BD 1.87 0 Mild ref BDEARN C[N+](C)(C)[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] in-man biogenic COc1cc(/C=C/C=O)cc(OC)c1OC ZINC000001563660 18/22/89/560182289 XDSHNNRBLSBDAP-SNAWJCMRSA-N 0 222.24 BD 1.924 0 Reactive ref BDGARN COc1cc(/C=C/C=O)cc(OC)c1OC in-vitro biogenic COc1cc2ccc(=O)oc2c(OC)c1O ZINC000001573299 02/70/45/175027045 HOEVRHHMDJKUMZ-UHFFFAOYSA-N -1 222.196 BD 1.516 1 Anodyne mid BDAAMM COc1cc2ccc(=O)oc2c(OC)c1[O-] in-vitro biogenic COc1cc2ccc(=O)oc2c(OC)c1O ZINC000001573299 02/70/42/175027042 HOEVRHHMDJKUMZ-UHFFFAOYSA-N 0 222.196 BD 1.516 0 Anodyne ref BDAARN COc1cc2ccc(=O)oc2c(OC)c1O in-vitro biogenic CCOC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000001614326 80/74/61/219807461 WDKYDMULARNCIS-GQCTYLIASA-N 0 208.213 BD 1.674 0 Clean ref BDCARN CCOC(=O)/C=C/c1ccc(O)c(O)c1 in-vitro biogenic C/C=C/C#CC#C/C=C/C=C/[C@H](O)CCO ZINC000001633604 11/39/17/191113917 XNRITUCAPGELHK-BZSZOABESA-N 0 216.28 BD 1.425 0 Mild ref BDEBRN C/C=C/C#CC#C/C=C/C=C/[C@H](O)CCO in-vitro biogenic C[N+](C)(C)[C@H](Cc1c[nH]c2ccccc12)C(=O)O ZINC000001678615 92/11/72/383921172 AOHCBEAZXHZMOR-CYBMUJFWSA-O 0 247.318 BD 1.87 0 Mild ref BDEARN C[N+](C)(C)[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-] in-vitro biogenic COC(=O)CCCCCCCC(=O)O ZINC000001690088 70/95/90/342709590 VVWPSAPZUZXYCM-UHFFFAOYSA-N -1 202.25 BD 1.975 0 Anodyne ref BDAARM COC(=O)CCCCCCCC(=O)[O-] in-vitro biogenic CC(C)C[C@@H]1NC(=O)[C@H](CC(C)C)NC1=O ZINC000001763536 24/50/85/187245085 XWYXUMDVQIOAPR-UWVGGRQHSA-N 0 226.32 BD 1.062 0 Anodyne ref BDAARN CC(C)C[C@@H]1NC(=O)[C@H](CC(C)C)NC1=O in-vitro CC(C)C[C@H]1NC(=O)[C@@H](CC(C)C)NC1=O ZINC000001763539 66/21/64/384662164 XWYXUMDVQIOAPR-NXEZZACHSA-N 0 226.32 BD 1.062 0 Anodyne ref BDAARN CC(C)C[C@H]1NC(=O)[C@@H](CC(C)C)NC1=O CC(C)(O)[C@H]1Cc2c(ccc3ccc(=O)oc23)O1 ZINC000002392248 96/15/24/383961524 YRAQEMCYCSSHJG-LLVKDONJSA-N 0 246.262 BD 1.867 0 Anodyne ref BDAARN CC(C)(O)[C@H]1Cc2c(ccc3ccc(=O)oc23)O1 in-vitro biogenic COc1cc2ccc(=O)oc2c(OC)c1OC ZINC000002516970 02/77/11/175027711 RAYQKHLZHPFYEJ-UHFFFAOYSA-N 0 236.223 BD 1.819 0 Anodyne ref BDAARN COc1cc2ccc(=O)oc2c(OC)c1OC in-vitro biogenic O=C1c2ccccc2C(=O)c2c(O)ccc(O)c21 ZINC000003847495 02/90/05/384029005 GUEIZVNYDFNHJU-UHFFFAOYSA-N -1 240.214 BD 1.873 3 Clean high BDCAHM O=C1c2ccccc2C(=O)c2c(O)ccc([O-])c21 biogenic in-vivo O=C1c2ccccc2C(=O)c2c(O)ccc(O)c21 ZINC000003847495 02/89/98/384028998 GUEIZVNYDFNHJU-UHFFFAOYSA-N 0 240.214 BD 1.873 0 Clean ref BDCARN O=C1c2ccccc2C(=O)c2c(O)ccc(O)c21 biogenic in-vivo O=C1c2ccc(O)cc2C(=O)c2ccc(O)cc21 ZINC000003860201 03/19/66/384031966 APAJFZPFBHMFQR-UHFFFAOYSA-N 0 240.214 BD 1.873 2 Clean low BDCALN O=C1c2ccc(O)cc2C(=O)c2ccc(O)cc21 in-vitro biogenic O=C1c2ccc(O)cc2C(=O)c2ccc(O)cc21 ZINC000003860201 03/19/60/384031960 APAJFZPFBHMFQR-UHFFFAOYSA-N -1 240.214 BD 1.873 1 Clean mid BDCAMM O=C1c2ccc(O)cc2C(=O)c2ccc([O-])cc21 in-vitro biogenic O=C1c2ccc(O)cc2C(=O)c2ccc(O)cc21 ZINC000003860201 03/19/58/384031958 APAJFZPFBHMFQR-UHFFFAOYSA-N -2 240.214 BD 1.873 0 Clean ref BDCARL O=C1c2ccc([O-])cc2C(=O)c2ccc([O-])cc21 in-vitro biogenic O=C1c2cccc(O)c2C(=O)c2c(O)cccc21 ZINC000003860369 03/01/19/384030119 QBPFLULOKWLNNW-UHFFFAOYSA-N -1 240.214 BD 1.873 3 Clean high BDCAHM O=C1c2cccc([O-])c2C(=O)c2c(O)cccc21 investigational endogenous O=C1c2cccc(O)c2C(=O)c2c(O)cccc21 ZINC000003860369 03/01/13/384030113 QBPFLULOKWLNNW-UHFFFAOYSA-N -2 240.214 BD 1.873 3 Clean high BDCAHL O=C1c2cccc([O-])c2C(=O)c2c([O-])cccc21 investigational endogenous O=C1c2cccc(O)c2C(=O)c2c(O)cccc21 ZINC000003860369 03/01/00/384030100 QBPFLULOKWLNNW-UHFFFAOYSA-N 0 240.214 BD 1.873 0 Clean ref BDCARN O=C1c2cccc(O)c2C(=O)c2c(O)cccc21 investigational endogenous CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O ZINC000004095719 09/14/46/168091446 KPQMCAKZRXOZLB-KOIHBYQTSA-N 0 224.3 BD 1.6 0 Mild ref BDEARN CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O in-vitro biogenic CC1=CC(=O)CC(C)(C)[C@]1(O)/C=C/[C@@H](C)O ZINC000004096338 09/06/72/168090672 KPQMCAKZRXOZLB-ZWXQHPBJSA-N 0 224.3 BD 1.6 0 Mild ref BDEARN CC1=CC(=O)CC(C)(C)[C@]1(O)/C=C/[C@@H](C)O in-vitro biogenic CC1=CC(=O)CC(C)(C)[C@]1(O)/C=C/[C@H](C)O ZINC000004096339 09/08/70/168090870 KPQMCAKZRXOZLB-BXQPDHIASA-N 0 224.3 BD 1.6 0 Mild ref BDEARN CC1=CC(=O)CC(C)(C)[C@]1(O)/C=C/[C@H](C)O in-vitro biogenic CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@H](C)O ZINC000004096340 09/10/83/168091083 KPQMCAKZRXOZLB-ZOLRFCATSA-N 0 224.3 BD 1.6 0 Mild ref BDEARN CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@H](C)O in-vitro biogenic O=C1N[C@@H](Cc2ccccc2)CN2CCCC[C@@H]12 ZINC000004098810 13/69/01/385136901 CUANCTHYEDWUMU-KBPBESRZSA-N 1 244.338 BD 1.582 1 Anodyne mid BDAAMO O=C1N[C@@H](Cc2ccccc2)C[N@H+]2CCCC[C@@H]12 in-vitro biogenic O=C1N[C@@H](Cc2ccccc2)CN2CCCC[C@@H]12 ZINC000004098810 13/68/96/385136896 CUANCTHYEDWUMU-KBPBESRZSA-N 1 244.338 BD 1.582 1 Anodyne mid BDAAMO O=C1N[C@@H](Cc2ccccc2)C[N@@H+]2CCCC[C@@H]12 in-vitro biogenic O=C1N[C@@H](Cc2ccccc2)CN2CCCC[C@@H]12 ZINC000004098810 13/68/89/385136889 CUANCTHYEDWUMU-KBPBESRZSA-N 0 244.338 BD 1.582 0 Anodyne ref BDAARN O=C1N[C@@H](Cc2ccccc2)CN2CCCC[C@@H]12 in-vitro biogenic CCCC[C@H](O)[C@@H]1CC(OC)=CC(=O)O1 ZINC000005821894 01/28/58/169012858 YFIMUDXPJZVJJO-UWVGGRQHSA-N 0 214.261 BD 1.383 0 Anodyne ref BDAARN CCCC[C@H](O)[C@@H]1CC(OC)=CC(=O)O1 in-vitro biogenic C/C=C/C#CC#C/C=C/C=C/[C@@H](O)CCO ZINC000005844839 47/10/32/187471032 XNRITUCAPGELHK-KPMAYDIMSA-N 0 216.28 BD 1.425 0 Mild ref BDEBRN C/C=C/C#CC#C/C=C/C=C/[C@@H](O)CCO in-vitro biogenic CCOC(=O)Cc1cc(O)cc(O)c1C(C)=O ZINC000005855988 23/50/71/170235071 TURXCFUGBPBPRS-UHFFFAOYSA-N -1 238.239 BD 1.406 1 Anodyne mid BDAAMM CCOC(=O)Cc1cc([O-])cc(O)c1C(C)=O in-vitro biogenic CCOC(=O)Cc1cc(O)cc(O)c1C(C)=O ZINC000005855988 23/50/69/170235069 TURXCFUGBPBPRS-UHFFFAOYSA-N 0 238.239 BD 1.406 0 Anodyne ref BDAARN CCOC(=O)Cc1cc(O)cc(O)c1C(C)=O in-vitro biogenic COc1c(O)cc2cc(C)oc(=O)c2c1O ZINC000006070234 80/73/63/355807363 LREZRXWUEZCZRU-UHFFFAOYSA-N 0 222.196 BD 1.521 0 Anodyne ref BDAARN COc1c(O)cc2cc(C)oc(=O)c2c1O in-vitro biogenic C[C@H]1Cc2c(C(=O)O)ccc(O)c2C(=O)O1 ZINC000006495303 38/77/69/177387769 QRLBIKRXEQOMSF-YFKPBYRVSA-N -1 222.196 BD 1.192 0 Anodyne ref BDAARM C[C@H]1Cc2c(C(=O)[O-])ccc(O)c2C(=O)O1 in-vitro biogenic C/C=C1\[C@H]2C=C(C)C[C@]1(N)c1ccc(=O)[nH]c1C2 ZINC000009411213 41/34/50/356413450 ZRJBHWIHUMBLCN-YQEJDHNASA-N 1 242.322 BD 1.998 0 Anodyne ref BDAARO C/C=C1\[C@H]2C=C(C)C[C@]1([NH3+])c1ccc(=O)[nH]c1C2 investigational biogenic CC(C)CC(=O)N[C@H](C(=O)O)C(C)C ZINC000011889784 84/40/40/342844040 OPJHQXJQYXRMGN-VIFPVBQESA-N -1 201.266 BD 1.258 0 Anodyne ref BDAARM CC(C)CC(=O)N[C@H](C(=O)[O-])C(C)C in-vitro biogenic CC(C)CC(=O)N[C@@H](C(=O)O)C(C)C ZINC000011889788 84/40/69/342844069 OPJHQXJQYXRMGN-SECBINFHSA-N -1 201.266 BD 1.258 0 Anodyne ref BDAARM CC(C)CC(=O)N[C@@H](C(=O)[O-])C(C)C in-vitro biogenic C[C@@H](c1c[nH]c2ccccc12)[C@H](O)C(=O)O ZINC000012401854 01/33/42/176013342 NUFXPJOTSOMKFZ-CPCISQLKSA-N -1 219.24 BD 1.717 0 Anodyne ref BDAARM C[C@@H](c1c[nH]c2ccccc12)[C@H](O)C(=O)[O-] C[C@H](c1c[nH]c2ccccc12)[C@H](O)C(=O)O ZINC000012401855 03/16/61/177031661 NUFXPJOTSOMKFZ-HQJQHLMTSA-N -1 219.24 BD 1.717 0 Anodyne ref BDAARM C[C@H](c1c[nH]c2ccccc12)[C@H](O)C(=O)[O-] in-vitro C[C@@H](c1c[nH]c2ccccc12)[C@@H](O)C(=O)O ZINC000012401856 01/34/93/176013493 NUFXPJOTSOMKFZ-WRWORJQWSA-N -1 219.24 BD 1.717 0 Anodyne ref BDAARM C[C@@H](c1c[nH]c2ccccc12)[C@@H](O)C(=O)[O-] C[C@H](c1c[nH]c2ccccc12)[C@@H](O)C(=O)O ZINC000012401857 03/21/94/177032194 NUFXPJOTSOMKFZ-RDDDGLTNSA-N -1 219.24 BD 1.717 0 Anodyne ref BDAARM C[C@H](c1c[nH]c2ccccc12)[C@@H](O)C(=O)[O-] CC(=O)c1c(O)cc2c(c1C)C(=O)C[C@@H](O)C2 ZINC000013305561 72/92/70/388729270 ODXUROYZJHIZHE-VIFPVBQESA-N -1 234.251 BD 1.393 1 Anodyne mid BDAAMM CC(=O)c1c([O-])cc2c(c1C)C(=O)C[C@@H](O)C2 in-vitro biogenic CC(=O)c1c(O)cc2c(c1C)C(=O)C[C@@H](O)C2 ZINC000013305561 72/92/65/388729265 ODXUROYZJHIZHE-VIFPVBQESA-N 0 234.251 BD 1.393 0 Anodyne ref BDAARN CC(=O)c1c(O)cc2c(c1C)C(=O)C[C@@H](O)C2 in-vitro biogenic CC(=O)c1c(O)cc2c(c1C)C(=O)C[C@H](O)C2 ZINC000013305564 73/04/57/388730457 ODXUROYZJHIZHE-SECBINFHSA-N -1 234.251 BD 1.393 1 Anodyne mid BDAAMM CC(=O)c1c([O-])cc2c(c1C)C(=O)C[C@H](O)C2 in-vitro biogenic CC(=O)c1c(O)cc2c(c1C)C(=O)C[C@H](O)C2 ZINC000013305564 73/04/55/388730455 ODXUROYZJHIZHE-SECBINFHSA-N 0 234.251 BD 1.393 0 Anodyne ref BDAARN CC(=O)c1c(O)cc2c(c1C)C(=O)C[C@H](O)C2 in-vitro biogenic CC(=O)c1ccc2c(c1)[C@H](O)[C@H](C(C)(C)O)O2 ZINC000013305747 73/03/48/388730348 XFIALOBGPJCAMB-NWDGAFQWSA-N 0 236.267 BD 1.454 0 Anodyne ref BDAARN CC(=O)c1ccc2c(c1)[C@H](O)[C@H](C(C)(C)O)O2 in-vitro biogenic CC(=O)c1ccc2c(c1)[C@@H](O)[C@H](C(C)(C)O)O2 ZINC000013305750 34/29/88/398342988 XFIALOBGPJCAMB-VXGBXAGGSA-N 0 236.267 BD 1.454 0 Anodyne ref BDAARN CC(=O)c1ccc2c(c1)[C@@H](O)[C@H](C(C)(C)O)O2 in-vitro biogenic CC(=O)c1ccc2c(c1)[C@H](O)[C@@H](C(C)(C)O)O2 ZINC000013305754 34/29/39/398342939 XFIALOBGPJCAMB-RYUDHWBXSA-N 0 236.267 BD 1.454 0 Anodyne ref BDAARN CC(=O)c1ccc2c(c1)[C@H](O)[C@@H](C(C)(C)O)O2 in-vitro biogenic CC(=O)c1ccc2c(c1)[C@@H](O)[C@@H](C(C)(C)O)O2 ZINC000013305756 34/29/80/398342980 XFIALOBGPJCAMB-NEPJUHHUSA-N 0 236.267 BD 1.454 0 Anodyne ref BDAARN CC(=O)c1ccc2c(c1)[C@@H](O)[C@@H](C(C)(C)O)O2 in-vitro biogenic NC(=O)c1c[nH]c(Cc2ccccc2)cc1=O ZINC000013373646 28/74/24/181287424 RUUZDCZRFRLJFC-UHFFFAOYSA-N 0 228.251 BD 1.065 0 Anodyne ref BDAARN NC(=O)c1c[nH]c(Cc2ccccc2)cc1=O in-vitro biogenic C=C(Oc1cccc(C(=O)O)c1)C(=O)O ZINC000013435098 34/29/16/188342916 HGVAHYJMDVROLE-UHFFFAOYSA-N -2 208.169 BD 1.362 0 Anodyne ref BDAARL C=C(Oc1cccc(C(=O)[O-])c1)C(=O)[O-] in-vitro biogenic C[C@@H]1Cc2c(C(=O)O)ccc(O)c2C(=O)O1 ZINC000013460752 44/99/90/176449990 QRLBIKRXEQOMSF-RXMQYKEDSA-N -1 222.196 BD 1.192 0 Anodyne ref BDAARM C[C@@H]1Cc2c(C(=O)[O-])ccc(O)c2C(=O)O1 in-vitro biogenic COC1=CC(=O)O[C@@H](CCc2ccccc2)[C@@H]1O ZINC000013461544 41/32/74/574413274 VJCNEDVMYQCMBK-FZMZJTMJSA-N 0 248.278 BD 1.436 0 Anodyne ref BDAARN COC1=CC(=O)O[C@@H](CCc2ccccc2)[C@@H]1O in-man endogenous COC1=CC(=O)O[C@@H](CCc2ccccc2)[C@H]1O ZINC000013461548 41/32/87/574413287 VJCNEDVMYQCMBK-SMDDNHRTSA-N 0 248.278 BD 1.436 0 Anodyne ref BDAARN COC1=CC(=O)O[C@@H](CCc2ccccc2)[C@H]1O in-man endogenous COc1cc(O)c(C(C)=O)c(CC(=O)O)c1 ZINC000013660265 71/18/10/386711810 UYUOIPIOTPMHKV-UHFFFAOYSA-N -2 224.212 BD 1.23 3 Anodyne high BDAAHL COc1cc([O-])c(C(C)=O)c(CC(=O)[O-])c1 in-vitro biogenic COc1cc(O)c(C(C)=O)c(CC(=O)O)c1 ZINC000013660265 71/18/02/386711802 UYUOIPIOTPMHKV-UHFFFAOYSA-N -1 224.212 BD 1.23 0 Anodyne ref BDAARM COc1cc(O)c(C(C)=O)c(CC(=O)[O-])c1 in-vitro biogenic C=C(C(=O)O)[C@@H](CCCC[C@@H](C)O)C(=O)O ZINC000014454755 86/66/33/355866633 SPTZQYLKDFWPGO-VXNVDRBHSA-N -2 230.26 BD 1.269 0 Mild ref BDEARL C=C(C(=O)[O-])[C@@H](CCCC[C@@H](C)O)C(=O)[O-] in-vitro biogenic C=C(C(=O)O)[C@@H](CCCC[C@H](C)O)C(=O)O ZINC000014454756 49/64/86/344496486 SPTZQYLKDFWPGO-IONNQARKSA-N -2 230.26 BD 1.269 0 Mild ref BDEARL C=C(C(=O)[O-])[C@@H](CCCC[C@H](C)O)C(=O)[O-] in-vitro biogenic C=C(C(=O)O)[C@H](CCCC[C@@H](C)O)C(=O)O ZINC000014454757 49/65/60/344496560 SPTZQYLKDFWPGO-APPZFPTMSA-N -2 230.26 BD 1.269 0 Mild ref BDEARL C=C(C(=O)[O-])[C@H](CCCC[C@@H](C)O)C(=O)[O-] in-vitro biogenic C=C(C(=O)O)[C@H](CCCC[C@H](C)O)C(=O)O ZINC000014454758 49/62/83/344496283 SPTZQYLKDFWPGO-CBAPKCEASA-N -2 230.26 BD 1.269 0 Mild ref BDEARL C=C(C(=O)[O-])[C@H](CCCC[C@H](C)O)C(=O)[O-] in-vitro biogenic C=C(C(=O)O)[C@@H](CCCCCCO)C(=O)O ZINC000014454763 36/34/96/187363496 DHVXMTMJTVCPBB-SECBINFHSA-N -2 230.26 BD 1.271 0 Mild ref BDEARL C=C(C(=O)[O-])[C@@H](CCCCCCO)C(=O)[O-] in-vitro biogenic C=C(C(=O)O)[C@H](CCCCCCO)C(=O)O ZINC000014454764 49/62/82/344496282 DHVXMTMJTVCPBB-VIFPVBQESA-N -2 230.26 BD 1.271 0 Mild ref BDEARL C=C(C(=O)[O-])[C@H](CCCCCCO)C(=O)[O-] in-vitro biogenic C[C@H](O)C[C@@H]1CC[C@@H]([C@@H](C)C(=O)O)O1 ZINC000014614265 52/32/13/344523213 IVOODSRSVJPWLY-KZVJFYERSA-N -1 202.25 BD 1.026 0 Anodyne ref BDAARM C[C@H](O)C[C@@H]1CC[C@@H]([C@@H](C)C(=O)[O-])O1 in-vitro biogenic COc1cc(OC)c(OC)cc1CCC(=O)O ZINC000014818019 00/72/64/175007264 UGHPWKLKDZLPNM-UHFFFAOYSA-N -1 240.255 BD 1.73 0 Anodyne ref BDAARM COc1cc(OC)c(OC)cc1CCC(=O)[O-] in-vitro biogenic CC(C)C[C@@H]1NC(=O)[C@@H](CC(C)C)NC1=O ZINC000014860241 67/00/16/384670016 XWYXUMDVQIOAPR-AOOOYVTPSA-N 0 226.32 BD 1.062 0 Anodyne ref BDAARN CC(C)C[C@@H]1NC(=O)[C@@H](CC(C)C)NC1=O CC[C@H](C)CC[C@H](O)[C@@H]1C[C@@H](CO)OC1=O ZINC000028536473 26/90/21/171269021 KWEIJKWXQKCOKC-NAKRPEOUSA-N 0 230.304 BD 1.098 0 Anodyne ref BDAARN CC[C@H](C)CC[C@H](O)[C@@H]1C[C@@H](CO)OC1=O in-vitro biogenic COC1=CC(=O)O[C@@H](/C=C/c2ccccc2)[C@@H]1O ZINC000028537414 01/35/76/174013576 UDDKTZFKFIZQAW-XNHDODSBSA-N 0 246.262 BD 1.516 0 Anodyne ref BDAARN COC1=CC(=O)O[C@@H](/C=C/c2ccccc2)[C@@H]1O in-vitro biogenic CC[C@H](C)CC[C@H](O)[C@@H]1C[C@H](CO)OC1=O ZINC000028539343 26/94/32/171269432 KWEIJKWXQKCOKC-VLEAKVRGSA-N 0 230.304 BD 1.098 0 Anodyne ref BDAARN CC[C@H](C)CC[C@H](O)[C@@H]1C[C@H](CO)OC1=O in-vitro biogenic CC[C@H](C)CC[C@H](O)[C@H]1C[C@H](CO)OC1=O ZINC000028539352 70/23/51/290702351 KWEIJKWXQKCOKC-ZDCRXTMVSA-N 0 230.304 BD 1.098 0 Anodyne ref BDAARN CC[C@H](C)CC[C@H](O)[C@H]1C[C@H](CO)OC1=O in-vitro biogenic COc1cc2c(c3c1C(=O)C[C@@H](C)O3)CCO2 ZINC000031155926 02/04/36/175020436 BCRRDBKZXSRMHL-SSDOTTSWSA-N 0 234.251 BD 1.984 0 Anodyne ref BDAARN COc1cc2c(c3c1C(=O)C[C@@H](C)O3)CCO2 in-vitro biogenic CCC/C=C1\OC(=O)C2=C1CC[C@H](O)[C@@H]2O ZINC000031156164 18/16/37/188181637 DQNGMIQSXNGHOA-RCBCECLLSA-N 0 224.256 BD 1.039 0 Anodyne ref BDAARN CCC/C=C1\OC(=O)C2=C1CC[C@H](O)[C@@H]2O in-vitro biogenic CCC/C=C1\OC(=O)C2=C1CC[C@H](O)[C@H]2O ZINC000031156168 65/28/51/200652851 DQNGMIQSXNGHOA-JXQVETIVSA-N 0 224.256 BD 1.039 0 Anodyne ref BDAARN CCC/C=C1\OC(=O)C2=C1CC[C@H](O)[C@H]2O in-vitro biogenic CCC/C=C1\OC(=O)C2=C1CC[C@@H](O)[C@@H]2O ZINC000031156172 18/09/96/188180996 DQNGMIQSXNGHOA-BVVGKJRVSA-N 0 224.256 BD 1.039 0 Anodyne ref BDAARN CCC/C=C1\OC(=O)C2=C1CC[C@@H](O)[C@@H]2O in-vitro biogenic CCC/C=C1\OC(=O)C2=C1CC[C@@H](O)[C@H]2O ZINC000031156177 38/30/09/388383009 DQNGMIQSXNGHOA-OBEBJBLMSA-N 0 224.256 BD 1.039 0 Anodyne ref BDAARN CCC/C=C1\OC(=O)C2=C1CC[C@@H](O)[C@H]2O in-vitro biogenic O=C1C(O)=C(c2ccccc2)[C@@H]2CCCN12 ZINC000031157609 18/18/91/188181891 APSZCQZJXWEGJS-JTQLQIEISA-N 0 215.252 BD 1.96 0 Anodyne ref BDAARN O=C1C(=O)N2CCC[C@H]2C1c1ccccc1 CCC/C=C/C=C/[C@@H]1C[C@H](O)[C@@H](O)[C@@H]1C(=O)O ZINC000031157663 38/31/23/388383123 QNHUKXZHEMSPPA-OPFXIBELSA-N -1 240.299 BD 1.341 0 Anodyne ref BDAARM CCC/C=C/C=C/[C@@H]1C[C@H](O)[C@@H](O)[C@@H]1C(=O)[O-] in-vitro biogenic COc1cc(O)cc2c1C(=O)O[C@H](C)C2 ZINC000031158109 00/54/89/175005489 WGUHOBJSLARYHD-ZCFIWIBFSA-N -1 208.213 BD 1.502 3 Anodyne high BDAAHM COc1cc([O-])cc2c1C(=O)O[C@H](C)C2 in-vitro biogenic COc1cc(O)cc2c1C(=O)O[C@H](C)C2 ZINC000031158109 00/54/87/175005487 WGUHOBJSLARYHD-ZCFIWIBFSA-N 0 208.213 BD 1.502 0 Anodyne ref BDAARN COc1cc(O)cc2c1C(=O)O[C@H](C)C2 in-vitro biogenic