C[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@@H](O)[C@H]1O ZINC000000135734 29/91/95/351299195 XGYIMTFOTBMPFP-DEGSGYPDSA-N 0 251.246 CB -0.952 0 Anodyne ref CBAARN C[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@@H](O)[C@H]1O in-vitro biogenic CSC[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@@H](O)[C@H]1O ZINC000000895091 68/25/37/169682537 WUUGFSXJNOTRMR-RYVZHVEOSA-N 0 297.34 CB -0.609 0 Anodyne ref CBAARN CSC[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@@H](O)[C@H]1O CSC[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@H]1O ZINC000001318753 30/26/83/351302683 WUUGFSXJNOTRMR-OZBAJCLESA-N 0 297.34 CB -0.609 0 Anodyne ref CBAARN CSC[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@H]1O C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@@H](O)[C@H]1O ZINC000003869309 24/10/38/291241038 XGYIMTFOTBMPFP-XJCFNFQFSA-N 0 251.246 CB -0.952 0 Anodyne ref CBABRN C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@@H](O)[C@H]1O in-vitro biogenic C[C@@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@@H](O)[C@H]1O ZINC000003869310 75/30/99/372753099 XGYIMTFOTBMPFP-SXVXDFOESA-N 0 251.246 CB -0.952 0 Anodyne ref CBABRN C[C@@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@@H](O)[C@H]1O in-vitro biogenic C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@@H](O)[C@@H]1O ZINC000003869311 24/11/19/291241119 XGYIMTFOTBMPFP-UHTZMRCNSA-N 0 251.246 CB -0.952 0 Anodyne ref CBABRN C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@@H](O)[C@@H]1O in-vitro biogenic C[C@@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@@H](O)[C@@H]1O ZINC000003869312 31/55/51/351315551 XGYIMTFOTBMPFP-PERBPWGJSA-N 0 251.246 CB -0.952 0 Anodyne ref CBABRN C[C@@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@@H](O)[C@@H]1O in-vitro biogenic N#C[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1 ZINC000004095477 36/87/10/230368710 ZKSZEJFBGODIJW-GMDXDWKASA-N 0 295.291 CB -0.932 0 Mild ref CBEARN N#C[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1 in-man endogenous OC[C@H]1O[C@@H](OC/C=C/c2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O ZINC000004096342 31/61/51/351316151 KHPCPRHQVVSZAH-GUNCLKARSA-N 0 296.319 CB -0.484 0 Anodyne ref CBAARN OC[C@H]1O[C@@H](OC/C=C/c2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O in-vitro biogenic N#C[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1 ZINC000004096365 36/86/86/230368686 ZKSZEJFBGODIJW-YOVYLDAJSA-N 0 295.291 CB -0.932 0 Mild ref CBEARN N#C[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1 in-man endogenous CC(=O)c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 ZINC000004098840 31/67/61/351316761 GOZCEKPKECLKNO-RKQHYHRCSA-N 0 298.291 CB -0.932 0 Anodyne ref CBAARN CC(=O)c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 in-vitro biogenic CCCCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000004521560 31/95/09/351319509 JVAZJLFFSJARQM-RMPHRYRLSA-N 0 264.318 CB -0.617 0 Anodyne ref CBAARN CCCCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O in-vitro biogenic CC1=C[C@H]2O[C@@H]3[C@H](O)C[C@@](C)([C@]34CO4)[C@@]2(CO)[C@H](O)C1=O ZINC000005457778 75/65/11/372756511 LINOMUASTDIRTM-QGRHZQQGSA-N 0 296.319 CB -0.838 0 Mild ref CBEARN CC1C[C@H]2O[C@@H]3[C@H](O)C[C@@](C)([C@]34CO4)[C@@]2(CO)C(=O)C1=O in-vitro biogenic O=C1C=C[C@H](O)[C@H]([C@H](O)[C@H](O)c2ccccc2)O1 ZINC000006116425 17/74/52/170177452 AWCDBKHWVKLXEE-WKSBVSIWSA-N 0 250.25 CB -0.077 0 Anodyne ref CBAARN O=C1C=C[C@H](O)[C@H]([C@H](O)[C@H](O)c2ccccc2)O1 in-vitro biogenic CSC[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@@H](O)[C@@H]1O ZINC000012501834 49/13/04/170491304 WUUGFSXJNOTRMR-YRCUVVFSSA-N 0 297.34 CB -0.609 0 Anodyne ref CBAARN CSC[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@@H](O)[C@@H]1O COC(=O)[C@@H](NC(=O)c1cccc(NC=O)c1O)[C@H](C)O ZINC000013370154 33/61/39/351336139 FKDSAXOHMLWBNA-XVKPBYJWSA-N -1 296.279 CB -0.387 1 Anodyne mid CBAAMM COC(=O)[C@@H](NC(=O)c1cccc(NC=O)c1[O-])[C@H](C)O in-vitro biogenic COC(=O)[C@@H](NC(=O)c1cccc(NC=O)c1O)[C@H](C)O ZINC000013370154 33/61/34/351336134 FKDSAXOHMLWBNA-XVKPBYJWSA-N 0 296.279 CB -0.387 0 Anodyne ref CBAARN COC(=O)[C@@H](NC(=O)c1cccc(NC=O)c1O)[C@H](C)O in-vitro biogenic COC(=O)[C@@H](NC(=O)c1cccc(NC=O)c1O)[C@@H](C)O ZINC000013370157 33/67/01/351336701 FKDSAXOHMLWBNA-XCBNKYQSSA-N -1 296.279 CB -0.387 1 Anodyne mid CBAAMM COC(=O)[C@@H](NC(=O)c1cccc(NC=O)c1[O-])[C@@H](C)O in-vitro biogenic COC(=O)[C@@H](NC(=O)c1cccc(NC=O)c1O)[C@@H](C)O ZINC000013370157 33/66/94/351336694 FKDSAXOHMLWBNA-XCBNKYQSSA-N 0 296.279 CB -0.387 0 Anodyne ref CBAARN COC(=O)[C@@H](NC(=O)c1cccc(NC=O)c1O)[C@@H](C)O in-vitro biogenic COC(=O)[C@H](NC(=O)c1cccc(NC=O)c1O)[C@H](C)O ZINC000013370160 33/63/63/351336363 FKDSAXOHMLWBNA-OIBJUYFYSA-N -1 296.279 CB -0.387 1 Anodyne mid CBAAMM COC(=O)[C@H](NC(=O)c1cccc(NC=O)c1[O-])[C@H](C)O in-vitro biogenic COC(=O)[C@H](NC(=O)c1cccc(NC=O)c1O)[C@H](C)O ZINC000013370160 33/63/60/351336360 FKDSAXOHMLWBNA-OIBJUYFYSA-N 0 296.279 CB -0.387 0 Anodyne ref CBAARN COC(=O)[C@H](NC(=O)c1cccc(NC=O)c1O)[C@H](C)O in-vitro biogenic COC(=O)[C@H](NC(=O)c1cccc(NC=O)c1O)[C@@H](C)O ZINC000013370163 33/61/43/351336143 FKDSAXOHMLWBNA-GMSGAONNSA-N -1 296.279 CB -0.387 1 Anodyne mid CBAAMM COC(=O)[C@H](NC(=O)c1cccc(NC=O)c1[O-])[C@@H](C)O in-vitro biogenic COC(=O)[C@H](NC(=O)c1cccc(NC=O)c1O)[C@@H](C)O ZINC000013370163 33/61/41/351336141 FKDSAXOHMLWBNA-GMSGAONNSA-N 0 296.279 CB -0.387 0 Anodyne ref CBAARN COC(=O)[C@H](NC(=O)c1cccc(NC=O)c1O)[C@@H](C)O in-vitro biogenic CSC[C@@H]1O[C@@H](n2cnc3c(=O)[nH]cnc32)[C@@H](O)[C@@H]1O ZINC000013508805 33/60/83/351336083 GXYLOXCSJFJFKA-IZCITBFLSA-N -1 298.324 CB -0.898 3 Anodyne high CBABHM CSC[C@@H]1O[C@@H](n2cnc3c(=O)[n-]cnc32)[C@@H](O)[C@@H]1O in-vitro biogenic CSC[C@@H]1O[C@@H](n2cnc3c(=O)[nH]cnc32)[C@@H](O)[C@@H]1O ZINC000013508805 33/60/76/351336076 GXYLOXCSJFJFKA-IZCITBFLSA-N 0 298.324 CB -0.898 0 Anodyne ref CBABRN CSC[C@@H]1O[C@@H](n2cnc3c(=O)[nH]cnc32)[C@@H](O)[C@@H]1O in-vitro biogenic CSC[C@H]1O[C@@H](n2cnc3c(=O)[nH]cnc32)[C@@H](O)[C@@H]1O ZINC000013508807 33/63/73/351336373 GXYLOXCSJFJFKA-ICQCTTRCSA-N -1 298.324 CB -0.898 3 Anodyne high CBABHM CSC[C@H]1O[C@@H](n2cnc3c(=O)[n-]cnc32)[C@@H](O)[C@@H]1O in-vitro biogenic CSC[C@H]1O[C@@H](n2cnc3c(=O)[nH]cnc32)[C@@H](O)[C@@H]1O ZINC000013508807 33/63/69/351336369 GXYLOXCSJFJFKA-ICQCTTRCSA-N 0 298.324 CB -0.898 0 Anodyne ref CBABRN CSC[C@H]1O[C@@H](n2cnc3c(=O)[nH]cnc32)[C@@H](O)[C@@H]1O in-vitro biogenic CSC[C@@H]1O[C@H](n2cnc3c(=O)[nH]cnc32)[C@@H](O)[C@@H]1O ZINC000013508809 33/64/18/351336418 GXYLOXCSJFJFKA-YRCUVVFSSA-N -1 298.324 CB -0.898 3 Anodyne high CBAAHM CSC[C@@H]1O[C@H](n2cnc3c(=O)[n-]cnc32)[C@@H](O)[C@@H]1O in-vitro biogenic CSC[C@@H]1O[C@H](n2cnc3c(=O)[nH]cnc32)[C@@H](O)[C@@H]1O ZINC000013508809 33/64/14/351336414 GXYLOXCSJFJFKA-YRCUVVFSSA-N 0 298.324 CB -0.898 0 Anodyne ref CBAARN CSC[C@@H]1O[C@H](n2cnc3c(=O)[nH]cnc32)[C@@H](O)[C@@H]1O in-vitro biogenic OC[C@H]1O[C@@H](OCCc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O ZINC000013540459 33/73/16/351337316 MLRIJUWUQTVDQE-RKQHYHRCSA-N 0 284.308 CB -0.954 0 Anodyne ref CBAARN OC[C@H]1O[C@@H](OCCc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O in-vitro biogenic C[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@@H](O)[C@@H]1O ZINC000013542750 33/81/91/351338191 XGYIMTFOTBMPFP-HUEBKHCJSA-N 0 251.246 CB -0.952 0 Anodyne ref CBAARN C[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@@H](O)[C@@H]1O in-vitro biogenic O=C1C=C[C@@H](O)[C@@H]([C@@H](O)[C@@H](O)c2ccccc2)O1 ZINC000015262723 34/16/95/351341695 AWCDBKHWVKLXEE-IXOXFDKPSA-N 0 250.25 CB -0.077 0 Anodyne ref CBABRN O=C1C=C[C@@H](O)[C@@H]([C@@H](O)[C@@H](O)c2ccccc2)O1 in-vitro biogenic O=C1C=C[C@H](O)[C@H]([C@@H](O)[C@@H](O)c2ccccc2)O1 ZINC000015262730 34/16/88/351341688 AWCDBKHWVKLXEE-XYJRDEOASA-N 0 250.25 CB -0.077 0 Anodyne ref CBAARN O=C1C=C[C@H](O)[C@H]([C@@H](O)[C@@H](O)c2ccccc2)O1 in-vitro biogenic C[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@H]1O ZINC000017005625 34/56/16/351345616 XGYIMTFOTBMPFP-CMEPRQAFSA-N 0 251.246 CB -0.952 0 Anodyne ref CBAARN C[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@H]1O in-vitro biogenic CSC[C@H]1O[C@@H](n2cnc3c(=O)[nH]cnc32)[C@@H](O)[C@H]1O ZINC000028542039 37/08/67/351370867 GXYLOXCSJFJFKA-LEIICMHDSA-N -1 298.324 CB -0.898 3 Anodyne high CBABHM CSC[C@H]1O[C@@H](n2cnc3c(=O)[n-]cnc32)[C@@H](O)[C@H]1O in-vitro biogenic CSC[C@H]1O[C@@H](n2cnc3c(=O)[nH]cnc32)[C@@H](O)[C@H]1O ZINC000028542039 37/08/60/351370860 GXYLOXCSJFJFKA-LEIICMHDSA-N 0 298.324 CB -0.898 0 Anodyne ref CBABRN CSC[C@H]1O[C@@H](n2cnc3c(=O)[nH]cnc32)[C@@H](O)[C@H]1O in-vitro biogenic CC/C=C\CCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000031156884 37/72/33/351377233 OZIPFYKAIOOVEJ-ODWUMMNUSA-N 0 262.302 CB -0.841 0 Anodyne ref CBAARN CC/C=C\CCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O in-vitro biogenic C[C@@H]1O[C@@H](OC(=O)Cc2ccccc2)[C@H](O)[C@H](O)[C@H]1O ZINC000031157295 37/71/85/351377185 HHIYFURVKQDJLD-CNJBRALLSA-N 0 282.292 CB -0.4 0 Anodyne ref CBABRN C[C@@H]1O[C@@H](OC(=O)Cc2ccccc2)[C@H](O)[C@H](O)[C@H]1O in-vitro biogenic CSC[C@@H]1O[C@@H](n2cnc3c(=O)[nH]cnc32)[C@@H](O)[C@H]1O ZINC000034328902 38/48/32/351384832 GXYLOXCSJFJFKA-SYKDKJQZSA-N -1 298.324 CB -0.898 3 Anodyne high CBABHM CSC[C@@H]1O[C@@H](n2cnc3c(=O)[n-]cnc32)[C@@H](O)[C@H]1O in-vitro biogenic CSC[C@@H]1O[C@@H](n2cnc3c(=O)[nH]cnc32)[C@@H](O)[C@H]1O ZINC000034328902 38/48/28/351384828 GXYLOXCSJFJFKA-SYKDKJQZSA-N 0 298.324 CB -0.898 0 Anodyne ref CBABRN CSC[C@@H]1O[C@@H](n2cnc3c(=O)[nH]cnc32)[C@@H](O)[C@H]1O in-vitro biogenic C=C(C(=O)OC)[C@H]1[C@@H](O)C[C@@]2(C)[C@@H](O)CCC(=O)[C@H]2[C@H]1O ZINC000035271719 62/49/76/411624976 FLZGWKBABNBFOA-RQWGMIHLSA-N 0 298.335 CB -0.196 0 Mild ref CBEBRN C=C(C(=O)OC)[C@H]1[C@@H](O)C[C@@]2(C)[C@@H](O)CCC(=O)[C@H]2[C@H]1O in-vitro biogenic C=C(C(=O)OC)[C@H]1[C@@H](O)C[C@]2(C)[C@@H](O)CCC(=O)[C@H]2[C@H]1O ZINC000035271720 62/49/33/411624933 FLZGWKBABNBFOA-XTXFXJEVSA-N 0 298.335 CB -0.196 0 Mild ref CBEBRN C=C(C(=O)OC)[C@H]1[C@@H](O)C[C@]2(C)[C@@H](O)CCC(=O)[C@H]2[C@H]1O in-vitro biogenic C=C(C(=O)OC)[C@@H]1[C@H](O)[C@@H]2C(=O)CC[C@H](O)[C@]2(C)C[C@H]1O ZINC000035271724 62/46/30/411624630 FLZGWKBABNBFOA-JVOIICGBSA-N 0 298.335 CB -0.196 0 Mild ref CBEBRN C=C(C(=O)OC)[C@@H]1[C@H](O)[C@@H]2C(=O)CC[C@H](O)[C@]2(C)C[C@H]1O in-vitro biogenic C=C(C(=O)OC)[C@@H]1[C@H](O)[C@@H]2C(=O)CC[C@H](O)[C@@]2(C)C[C@H]1O ZINC000035271727 62/51/83/411625183 FLZGWKBABNBFOA-DSUOEAQKSA-N 0 298.335 CB -0.196 0 Mild ref CBEBRN C=C(C(=O)OC)[C@@H]1[C@H](O)[C@@H]2C(=O)CC[C@H](O)[C@@]2(C)C[C@H]1O in-vitro biogenic CNc1ccccc1C(=O)O[C@@H]1O[C@H](C)[C@H](O)[C@H](O)[C@@H]1O ZINC000035457013 20/67/32/172206732 XLGJBANZFAQPOK-GYWWPREPSA-N 0 297.307 CB -0.287 0 Anodyne ref CBAARN CNc1ccccc1C(=O)O[C@@H]1O[C@H](C)[C@H](O)[C@H](O)[C@@H]1O in-vitro biogenic CNc1ccccc1C(=O)O[C@@H]1O[C@@H](C)[C@H](O)[C@H](O)[C@@H]1O ZINC000035457016 20/70/49/172207049 XLGJBANZFAQPOK-APDKRRRCSA-N 0 297.307 CB -0.287 0 Anodyne ref CBABRN CNc1ccccc1C(=O)O[C@@H]1O[C@@H](C)[C@H](O)[C@H](O)[C@@H]1O in-vitro biogenic CNc1ccccc1C(=O)O[C@@H]1O[C@H](C)[C@@H](O)[C@H](O)[C@@H]1O ZINC000035457020 20/69/43/172206943 XLGJBANZFAQPOK-SABRMQOHSA-N 0 297.307 CB -0.287 0 Anodyne ref CBABRN CNc1ccccc1C(=O)O[C@@H]1O[C@H](C)[C@@H](O)[C@H](O)[C@@H]1O in-vitro biogenic CNc1ccccc1C(=O)O[C@@H]1O[C@@H](C)[C@@H](O)[C@H](O)[C@@H]1O ZINC000035457024 20/68/64/172206864 XLGJBANZFAQPOK-XDJQCPJISA-N 0 297.307 CB -0.287 0 Anodyne ref CBABRN CNc1ccccc1C(=O)O[C@@H]1O[C@@H](C)[C@@H](O)[C@H](O)[C@@H]1O in-vitro biogenic O=C1C=C[C@@H](O)[C@@H]([C@@H](O)[C@H](O)c2ccccc2)O1 ZINC000035464718 31/39/39/296313939 AWCDBKHWVKLXEE-XEZLXBQYSA-N 0 250.25 CB -0.077 0 Anodyne ref CBABRN O=C1C=C[C@@H](O)[C@@H]([C@@H](O)[C@H](O)c2ccccc2)O1 in-vitro biogenic O=C1C=C[C@@H](O)[C@@H]([C@H](O)[C@@H](O)c2ccccc2)O1 ZINC000035464721 21/23/77/172212377 AWCDBKHWVKLXEE-MGAJPHDKSA-N 0 250.25 CB -0.077 0 Anodyne ref CBABRN O=C1C=C[C@@H](O)[C@@H]([C@H](O)[C@@H](O)c2ccccc2)O1 in-vitro biogenic O=C1C=C[C@@H](O)[C@@H]([C@H](O)[C@H](O)c2ccccc2)O1 ZINC000035464723 21/21/17/172212117 AWCDBKHWVKLXEE-JHEVNIALSA-N 0 250.25 CB -0.077 0 Anodyne ref CBABRN O=C1C=C[C@@H](O)[C@@H]([C@H](O)[C@H](O)c2ccccc2)O1 in-vitro biogenic COC(=O)C[C@H](O)[C@H]1O[C@@H](c2ccccc2)[C@@H](O)[C@H]1O ZINC000035464726 87/55/55/283875555 YCKKAXDZPAQYOF-FRVYIDGWSA-N 0 282.292 CB -0.228 0 Anodyne ref CBABRN COC(=O)C[C@H](O)[C@H]1O[C@@H](c2ccccc2)[C@@H](O)[C@H]1O in-vitro biogenic COC(=O)C[C@@H](O)[C@H]1O[C@@H](c2ccccc2)[C@@H](O)[C@H]1O ZINC000035464729 38/79/15/351387915 YCKKAXDZPAQYOF-RMTQGBGSSA-N 0 282.292 CB -0.228 0 Anodyne ref CBABRN COC(=O)C[C@@H](O)[C@H]1O[C@@H](c2ccccc2)[C@@H](O)[C@H]1O in-vitro biogenic COC(=O)C[C@H](O)[C@@H]1O[C@@H](c2ccccc2)[C@@H](O)[C@H]1O ZINC000035464732 21/23/34/172212334 YCKKAXDZPAQYOF-HNGSFYKJSA-N 0 282.292 CB -0.228 0 Anodyne ref CBABRN COC(=O)C[C@H](O)[C@@H]1O[C@@H](c2ccccc2)[C@@H](O)[C@H]1O in-vitro biogenic COC(=O)C[C@@H](O)[C@@H]1O[C@@H](c2ccccc2)[C@@H](O)[C@H]1O ZINC000035464735 21/23/45/172212345 YCKKAXDZPAQYOF-NGBXAZJTSA-N 0 282.292 CB -0.228 0 Anodyne ref CBABRN COC(=O)C[C@@H](O)[C@@H]1O[C@@H](c2ccccc2)[C@@H](O)[C@H]1O in-vitro biogenic COC(=O)[C@@H](CO)NC(=O)c1cccc(O)c1O ZINC000035466170 21/36/36/172213636 NQIZIOGKLJAGSU-SSDOTTSWSA-N -1 255.226 CB -0.639 3 Clean high CBCAHM COC(=O)[C@@H](CO)NC(=O)c1cccc(O)c1[O-] in-vitro biogenic COC(=O)[C@@H](CO)NC(=O)c1cccc(O)c1O ZINC000035466170 21/36/34/172213634 NQIZIOGKLJAGSU-SSDOTTSWSA-N 0 255.226 CB -0.639 0 Clean ref CBCARN COC(=O)[C@@H](CO)NC(=O)c1cccc(O)c1O in-vitro biogenic COC(=O)[C@H](CO)NC(=O)c1cccc(O)c1O ZINC000035466172 21/36/75/172213675 NQIZIOGKLJAGSU-ZETCQYMHSA-N -1 255.226 CB -0.639 3 Clean high CBCAHM COC(=O)[C@H](CO)NC(=O)c1cccc(O)c1[O-] in-vitro biogenic COC(=O)[C@H](CO)NC(=O)c1cccc(O)c1O ZINC000035466172 21/36/73/172213673 NQIZIOGKLJAGSU-ZETCQYMHSA-N 0 255.226 CB -0.639 0 Clean ref CBCARN COC(=O)[C@H](CO)NC(=O)c1cccc(O)c1O in-vitro biogenic CC1=C[C@@H]2O[C@@H]3[C@H](O)C[C@@](C)([C@]34CO4)[C@@]2(CO)[C@H](O)C1=O ZINC000036378881 39/18/14/351391814 LINOMUASTDIRTM-BGQOOYBISA-N 0 296.319 CB -0.838 0 Mild ref CBEBRN CC1C[C@@H]2O[C@@H]3[C@H](O)C[C@](C)([C@@]2(CO)C(=O)C1=O)[C@]31CO1 in-vitro biogenic O=C1C=C[C@H](O)[C@H]([C@H](O)[C@@H](O)c2ccccc2)O1 ZINC000036468320 31/38/50/296313850 AWCDBKHWVKLXEE-FTYKPCCVSA-N 0 250.25 CB -0.077 0 Anodyne ref CBAARN O=C1C=C[C@H](O)[C@H]([C@H](O)[C@@H](O)c2ccccc2)O1 in-vitro biogenic C=C[C@@H](CCCCC)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000095913977 03/11/36/185031136 MPSRBJBPHXIOFN-GMDXDWKASA-N 0 290.356 CB -0.062 0 Mild ref CBEBRN C=C[C@@H](CCCCC)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O in-vitro biogenic COC(=O)C1=C[C@H](O)[C@H](O)[C@H](O[C@@H](C)C(=O)O)C1 ZINC000096295899 79/27/78/256792778 QEIITRXHOIHGMT-DBNIFQIXSA-N -1 260.242 CB -0.93 0 Anodyne ref CBABRM COC(=O)C1=C[C@H](O)[C@H](O)[C@H](O[C@@H](C)C(=O)[O-])C1 in-vitro biogenic COC(=O)C1=C[C@H](O)[C@H](O)[C@H](O[C@H](C)C(=O)O)C1 ZINC000096295901 47/23/62/419472362 QEIITRXHOIHGMT-JYFAAPFMSA-N -1 260.242 CB -0.93 0 Anodyne ref CBABRM COC(=O)C1=C[C@H](O)[C@H](O)[C@H](O[C@H](C)C(=O)[O-])C1 in-vitro biogenic COC(=O)C1=C[C@H](O)[C@H](O)[C@@H](O[C@@H](C)C(=O)O)C1 ZINC000096295903 47/25/07/419472507 QEIITRXHOIHGMT-ZITKLIBNSA-N -1 260.242 CB -0.93 0 Anodyne ref CBABRM COC(=O)C1=C[C@H](O)[C@H](O)[C@@H](O[C@@H](C)C(=O)[O-])C1 in-vitro biogenic COC(=O)C1=C[C@H](O)[C@H](O)[C@@H](O[C@H](C)C(=O)O)C1 ZINC000096295905 47/66/13/419476613 QEIITRXHOIHGMT-WOPDXLMNSA-N -1 260.242 CB -0.93 0 Anodyne ref CBABRM COC(=O)C1=C[C@H](O)[C@H](O)[C@@H](O[C@H](C)C(=O)[O-])C1 in-vitro biogenic CSC[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O ZINC000100349915 78/10/03/351781003 WUUGFSXJNOTRMR-POYYFJLXSA-N 0 297.34 CB -0.609 0 Anodyne ref CBAARN CSC[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O C[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O ZINC000100352250 77/90/95/372779095 XGYIMTFOTBMPFP-WDHZHIADSA-N 0 251.246 CB -0.952 0 Anodyne ref CBAARN C[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O in-vitro biogenic CSC[C@@H]1O[C@H](n2cnc3c(=O)[nH]cnc32)[C@H](O)[C@@H]1O ZINC000104646465 01/10/28/186011028 GXYLOXCSJFJFKA-POYYFJLXSA-N -1 298.324 CB -0.898 3 Anodyne high CBAAHM CSC[C@@H]1O[C@H](n2cnc3c(=O)[n-]cnc32)[C@H](O)[C@@H]1O in-vitro biogenic CSC[C@@H]1O[C@H](n2cnc3c(=O)[nH]cnc32)[C@H](O)[C@@H]1O ZINC000104646465 01/10/26/186011026 GXYLOXCSJFJFKA-POYYFJLXSA-N 0 298.324 CB -0.898 0 Anodyne ref CBAARN CSC[C@@H]1O[C@H](n2cnc3c(=O)[nH]cnc32)[C@H](O)[C@@H]1O in-vitro biogenic COC(=O)C[C@H](O)[C@@H]1O[C@H](c2ccccc2)[C@H](O)[C@@H]1O ZINC000104648376 01/08/35/186010835 YCKKAXDZPAQYOF-BQQXIIOZSA-N 0 282.292 CB -0.228 0 Anodyne ref CBAARN COC(=O)C[C@H](O)[C@@H]1O[C@H](c2ccccc2)[C@H](O)[C@@H]1O in-vitro biogenic CSC[C@@H]1O[C@H](n2cnc3c(=O)[nH]cnc32)[C@@H](O)[C@H]1O ZINC000104896921 79/09/28/351790928 GXYLOXCSJFJFKA-RYVZHVEOSA-N -1 298.324 CB -0.898 3 Anodyne high CBAAHM CSC[C@@H]1O[C@H](n2cnc3c(=O)[n-]cnc32)[C@@H](O)[C@H]1O in-vitro biogenic CSC[C@@H]1O[C@H](n2cnc3c(=O)[nH]cnc32)[C@@H](O)[C@H]1O ZINC000104896921 79/09/24/351790924 GXYLOXCSJFJFKA-RYVZHVEOSA-N 0 298.324 CB -0.898 0 Anodyne ref CBAARN CSC[C@@H]1O[C@H](n2cnc3c(=O)[nH]cnc32)[C@@H](O)[C@H]1O in-vitro biogenic C=C[C@H](CCCCC)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000140672126 90/87/18/187908718 MPSRBJBPHXIOFN-YOVYLDAJSA-N 0 290.356 CB -0.062 0 Mild ref CBEARN C=C[C@H](CCCCC)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O in-vitro biogenic C[C@@H](NC(=O)CC(=O)O)C(=O)Nc1ccccc1C(N)=O ZINC000225449896 81/05/38/290810538 GQSKRVQYDWZFKS-SSDOTTSWSA-N -1 293.279 CB -0.297 0 Anodyne ref CBAARM C[C@@H](NC(=O)CC(=O)[O-])C(=O)Nc1ccccc1C(N)=O in-vitro biogenic C[C@H](NC(=O)CC(=O)O)C(=O)Nc1ccccc1C(N)=O ZINC000225449926 03/79/44/299037944 GQSKRVQYDWZFKS-ZETCQYMHSA-N -1 293.279 CB -0.297 0 Anodyne ref CBAARM C[C@H](NC(=O)CC(=O)[O-])C(=O)Nc1ccccc1C(N)=O in-vitro biogenic O=C1C=C[C@H](O)[C@H]([C@@H](O)[C@H](O)c2ccccc2)O1 ZINC000230018441 26/92/30/352269230 AWCDBKHWVKLXEE-ZBAXXZLZSA-N 0 250.25 CB -0.077 0 Anodyne ref CBAARN O=C1C=C[C@H](O)[C@H]([C@@H](O)[C@H](O)c2ccccc2)O1 in-vitro biogenic COC(=O)C[C@H](O)[C@@H]1O[C@H](c2ccccc2)[C@@H](O)[C@@H]1O ZINC000230018447 26/94/14/352269414 YCKKAXDZPAQYOF-JDCLNJACSA-N 0 282.292 CB -0.228 0 Anodyne ref CBAARN COC(=O)C[C@H](O)[C@@H]1O[C@H](c2ccccc2)[C@@H](O)[C@@H]1O in-vitro biogenic COC(=O)C[C@H](O)[C@@H]1O[C@H](c2ccccc2)[C@H](O)[C@H]1O ZINC000247866884 34/90/33/352349033 YCKKAXDZPAQYOF-RBQFQAMWSA-N 0 282.292 CB -0.228 0 Anodyne ref CBABRN COC(=O)C[C@H](O)[C@@H]1O[C@H](c2ccccc2)[C@H](O)[C@H]1O in-vitro biogenic COC(=O)C[C@H](O)[C@@H]1O[C@H](c2ccccc2)[C@@H](O)[C@H]1O ZINC000247866888 34/89/18/352348918 YCKKAXDZPAQYOF-RORMEEMCSA-N 0 282.292 CB -0.228 0 Anodyne ref CBABRN COC(=O)C[C@H](O)[C@@H]1O[C@H](c2ccccc2)[C@@H](O)[C@H]1O in-vitro biogenic CNc1ccccc1C(=O)O[C@@H]1O[C@H](C)[C@H](O)[C@@H](O)[C@H]1O ZINC000252019487 24/26/18/220242618 XLGJBANZFAQPOK-JEWBNCFJSA-N 0 297.307 CB -0.287 0 Anodyne ref CBABRN CNc1ccccc1C(=O)O[C@@H]1O[C@H](C)[C@H](O)[C@@H](O)[C@H]1O in-vitro biogenic CNc1ccccc1C(=O)O[C@@H]1O[C@H](C)[C@H](O)[C@H](O)[C@H]1O ZINC000252019489 24/25/12/220242512 XLGJBANZFAQPOK-MHNSJMSVSA-N 0 297.307 CB -0.287 0 Anodyne ref CBABRN CNc1ccccc1C(=O)O[C@@H]1O[C@H](C)[C@H](O)[C@H](O)[C@H]1O in-vitro biogenic CNc1ccccc1C(=O)O[C@@H]1O[C@H](C)[C@H](O)[C@@H](O)[C@@H]1O ZINC000252019490 24/27/42/220242742 XLGJBANZFAQPOK-WYOLEOQASA-N 0 297.307 CB -0.287 0 Anodyne ref CBABRN CNc1ccccc1C(=O)O[C@@H]1O[C@H](C)[C@H](O)[C@@H](O)[C@@H]1O in-vitro biogenic C=C(C(=O)OC)[C@H]1[C@H](O)[C@@H]2C(=O)CC[C@@H](O)[C@@]2(C)C[C@H]1O ZINC000252463581 59/60/81/419596081 FLZGWKBABNBFOA-CZYNCPRBSA-N 0 298.335 CB -0.196 0 Mild ref CBEBRN C=C(C(=O)OC)[C@H]1[C@H](O)[C@@H]2C(=O)CC[C@@H](O)[C@@]2(C)C[C@H]1O in-vitro biogenic C=C(C(=O)OC)[C@@H]1[C@H](O)C[C@@]2(C)[C@H](C(=O)CC[C@H]2O)[C@@H]1O ZINC000252463582 59/64/28/419596428 FLZGWKBABNBFOA-QTPLKFIXSA-N 0 298.335 CB -0.196 0 Mild ref CBEBRN C=C(C(=O)OC)[C@@H]1[C@H](O)C[C@@]2(C)[C@H](C(=O)CC[C@H]2O)[C@@H]1O in-vitro biogenic C=C(C(=O)OC)[C@@H]1[C@H](O)C[C@]2(C)[C@H](O)CCC(=O)[C@H]2[C@@H]1O ZINC000252463583 59/64/41/419596441 FLZGWKBABNBFOA-QUMMREBQSA-N 0 298.335 CB -0.196 0 Mild ref CBEBRN C=C(C(=O)OC)[C@@H]1[C@H](O)C[C@]2(C)[C@H](O)CCC(=O)[C@H]2[C@@H]1O in-vitro biogenic C=C(C(=O)OC)[C@H]1[C@H](O)[C@H]2C(=O)CC[C@@H](O)[C@@]2(C)C[C@H]1O ZINC000252463584 59/65/92/419596592 FLZGWKBABNBFOA-SAAVVOQKSA-N 0 298.335 CB -0.196 0 Mild ref CBEBRN C=C(C(=O)OC)[C@H]1[C@H](O)[C@H]2C(=O)CC[C@@H](O)[C@@]2(C)C[C@H]1O in-vitro biogenic CSC[C@@H]1O[C@H](n2cnc3c(O)ncnc32)[C@H](O)[C@H]1O ZINC000253500647 24/27/56/220242756 GXYLOXCSJFJFKA-OZBAJCLESA-N -1 298.324 CB -0.486 3 Anodyne high CBABHM CSC[C@@H]1O[C@H](n2cnc3c(=O)[n-]cnc32)[C@H](O)[C@H]1O in-vitro biogenic CSC[C@@H]1O[C@H](n2cnc3c(O)ncnc32)[C@H](O)[C@H]1O ZINC000253500647 24/27/49/220242749 GXYLOXCSJFJFKA-OZBAJCLESA-N 0 298.324 CB -0.486 0 Anodyne ref CBABRN CSC[C@@H]1O[C@H](n2cnc3c(=O)[nH]cnc32)[C@H](O)[C@H]1O in-vitro biogenic CC(C)CCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000604381448 72/44/99/355724499 VKJAWYZKLIZNFQ-RMPHRYRLSA-N 0 264.318 CB -0.761 0 Anodyne ref CBABRN CC(C)CCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O