smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features Nc1cccc(O)c1O 5161670 MGBKJKDRMRAZKC-UHFFFAOYSA-N 125.127 0.680 10 50 ACCA in-vitro CCC(=O)[C@H]1CCCC(=O)C1=O 228378202 GUMVLAYLXDJGPX-ZCFIWIBFSA-N 168.192 0.904 10 50 ACCA O=C(O)c1ccc(O)c(O)c1O 391975 BRRSNXCXLSVPFC-UHFFFAOYSA-N 170.120 0.502 10 50 ACCA biogenic,in-man Oc1ccc(O)c(O)c1 388437 GGNQRNBDZQJCCN-UHFFFAOYSA-N 126.111 0.803 10 50 ACCA in-vitro Oc1cc2cc(O)nc(O)c2c(O)n1 8762149 PEHAPVAHJLCRSR-UHFFFAOYSA-N 194.146 0.452 10 50 ACCA biogenic CC(=O)CC(=O)C(C)=O 86864960 POASQEFMMPWSLD-UHFFFAOYSA-N 128.127 0.124 10 50 ACCA O=C1O[C@H]2CC=C[C@H]2/C1=C/O 102319826 IFWDODLFYRKCQR-MBZKLQCLSA-N 152.149 0.930 10 50 ACCA CC(=O)NCCc1ccc(O)c(O)c1 402700 OFSAJYZMIPNPHE-UHFFFAOYSA-N 195.218 0.776 10 50 ACCA endogenous,in-man O=Cc1cc(O)c(O)c(O)c1 1564659 RGZHEOWNTDJLAQ-UHFFFAOYSA-N 154.121 0.616 10 50 ACCA in-vitro O=C1c2ccccc2C(=O)[C@@H]2O[C@H]12 17723737 TVVRFUOKLKGUKT-AOOOYVTPSA-N 174.155 0.833 10 50 ACCA [N-]=[N+]=N[C@@H]1CN[C@H](C(=O)O)C1 40448986 PPRFZPZRQYPCER-IMJSIDKUSA-N 156.145 0.112 10 50 ACCA O=C1O[C@@H]2CC=C[C@@H]2/C1=C/O 102319832 IFWDODLFYRKCQR-NRMOTYEGSA-N 152.149 0.930 10 50 ACCA C[C@H]1C[C@@H](C)C(=O)C1=O 15119659 MIDXCONKKJTLDX-SYDPRGILSA-N 126.155 0.801 10 50 ACCA endogenous,in-man NC(=S)c1ccc(O)c(O)c1 22141759 RJTMJGOAYKKXOR-UHFFFAOYSA-N 169.205 0.732 10 50 ACCA CCCC[C@@H]1C(=O)CC(=O)C1=O 100809045 HMFXLRRRGHKBCH-ZCFIWIBFSA-N 168.192 0.904 10 50 ACCA NCc1ccc(N)cc1 389785 BFWYZZPDZZGSLJ-UHFFFAOYSA-N 122.171 0.728 10 50 ACCA in-vitro O=C1NCc2c(O)cccc21 39059137 TUPNRRNEGMKIAF-UHFFFAOYSA-N 149.149 0.636 10 50 ACCA in-vitro O=C(O)Cc1ccc(O)c(O)c1 388555 CFFZDZCDUFSOFZ-UHFFFAOYSA-N 168.148 0.725 10 50 ACCA endogenous,in-man [N-]=[N+]=NCCOCCN 169722898 JIQVRHWKIDNQLC-UHFFFAOYSA-N 130.151 0.272 10 50 ACCA in-vitro O=S1(=O)Nc2ccccc2N1 9186 AUAGRMVWKUSEBX-UHFFFAOYSA-N 170.193 0.769 10 50 ACCA [N-]=[N+]=NCCO 5113601 BSULWPSUVMOMAN-UHFFFAOYSA-N 87.082 0.289 10 50 ACCA in-vitro COC(=O)COc1ccc(N)cc1 6288160 YDWPOGYTJVQQIL-UHFFFAOYSA-N 181.191 0.821 10 50 ACCA COC(CN=[N+]=[N-])OC 5355614 XEOZJWABAGSZMK-UHFFFAOYSA-N 131.135 0.916 10 50 ACCA Cc1cc(O)nc(O)c1 12359504 JJHVYGVVMBYCMQ-UHFFFAOYSA-N 125.127 0.801 10 50 ACCA in-vitro O=C1COC(c2ccccc2O)=NN1 232628930 LRVZQZDBOKWVLU-UHFFFAOYSA-N 192.174 0.200 10 50 ACCA CNC(=O)c1nc(CN=[N+]=[N-])no1 74941333 QLGYNJNDMJQRTA-UHFFFAOYSA-N 182.143 0.240 10 50 ACCA Cn1ccc2c(c1=O)CNCC2 1857783052 LKXNWVAWQBAWDR-UHFFFAOYSA-N 164.208 0.031 10 50 ACCA N[C@H](C(=O)O)c1cc(F)ccc1O 72191068 FAESPUPJJGMLKW-ZETCQYMHSA-N 185.154 0.616 10 50 ACCA Cc1nonc1/N=[N+](\O)C[N+](=O)[O-] 225421796 NHLUMYXKTJAJLK-UHFFFAOYSA-N 188.123 0.098 10 50 ACCA CO[C@@H]1C=C[C@@](C)(OC)O1 4289104 ODARVONGEVVSAG-BQBZGAKWSA-N 144.170 0.908 10 50 ACCA CN(C)C=C1C(=O)OC(C)(C)OC1=O 2149551 YKMXFLMJEHHKMU-UHFFFAOYSA-N 199.206 0.268 10 50 ACCA in-vitro Nc1ccc(O)cc1 4623758 PLIKAWJENQZMHA-UHFFFAOYSA-N 109.128 0.974 10 50 ACCA aggregator,endogenous,in-man NCCc1ccc(N)cc1 388143 LNPMZQXEPNWCMG-UHFFFAOYSA-N 136.198 0.770 10 50 ACCA in-vitro Nc1ccc(N2CC(C(=O)O)C2)cc1 90693616 JARYMOYIHDKMCS-UHFFFAOYSA-N 192.218 0.790 10 50 ACCA in-vitro COC(=O)C(=[N+]=[N-])c1ccccc1 114063973 HYAAEBUKCXOFDT-UHFFFAOYSA-N 176.175 0.879 10 50 ACCA COC(=O)Cc1ccc(O)c(O)c1 2566703 UGFILLIGHGZLHE-UHFFFAOYSA-N 182.175 0.813 10 50 ACCA in-vitro CN(C)C(=O)/N=N/C(=O)N(C)C 13552228 VLSDXINSOMDCBK-BQYQJAHWSA-N 172.188 0.802 10 50 ACCA in-vivo COC(=O)[C@@]1(OC)C=C[C@@H](OC)O1 3860952 GHVXSSBZJZUDSO-POYBYMJQSA-N 188.179 0.061 10 50 ACCA Nc1ccc(OCCO)cc1 2030291 SRCAKTIYISIAIT-UHFFFAOYSA-N 153.181 0.640 10 50 ACCA in-vitro N[C@H](CC(=O)O)c1ccc(O)cc1O 2586179 SLASMFLPYYVGRW-SSDOTTSWSA-N 197.190 0.572 10 50 ACCA in-vitro COC(=O)c1cccc(O)c1O 1702439 DOAJWTSNTNAEIY-UHFFFAOYSA-N 168.148 0.884 10 50 ACCA in-vitro Oc1ccc([C@H]2CNCCO2)cc1O 11422311 GYJRRQRGZZEHEB-SNVBAGLBSA-N 195.218 0.759 10 50 ACCA in-vivo C[C@H]1C[C@H](C)C(=O)C1=O 1850686 MIDXCONKKJTLDX-WHFBIAKZSA-N 126.155 0.801 10 50 ACCA endogenous,in-man Nc1ccc(O)c(O)c1 6364 KDHUXRBROABJBC-UHFFFAOYSA-N 125.127 0.680 10 50 ACCA in-vitro COc1ccc(C=O)c(O)c1O 2566018 OJZYLUUHIAKDJT-UHFFFAOYSA-N 168.148 0.919 10 50 ACCA in-vitro Cc1ccc(N2NC(=O)CC2=O)cc1 5541406 XPZNMTRTUAVNQW-UHFFFAOYSA-N 190.202 0.763 10 50 ACCA [N-]=[N+]=NCCOCCOCC(=O)O 136661995 OCIIYNXOTJRSHW-UHFFFAOYSA-N 189.171 0.415 10 50 ACCA in-vitro Cc1ccc(C(=O)C(=O)CO)cc1 498045775 HUXIFVCOAOROFW-UHFFFAOYSA-N 178.187 0.739 10 50 ACCA [N-]=[N+]=NCC[C@@H](N)C(=O)O 5113481 NNWQLZWAZSJGLY-GSVOUGTGSA-N 144.134 0.099 10 50 ACCA Cc1ccc(O)c([C@](C)(N)C(=O)O)c1 2533951 VWFLEXUNTGIBFT-JTQLQIEISA-N 195.218 0.959 10 50 ACCA in-vitro Nc1ccc(OS(=O)(=O)O)cc1 2526427 DJEGXIBXYHERSU-UHFFFAOYSA-N 189.192 0.450 10 50 ACCA in-vitro Nc1ccc(N2CCOCC2=O)cc1 20398316 MHCRLDZZHOVFEE-UHFFFAOYSA-N 192.218 0.632 10 50 ACCA in-vitro COC(=O)/C=C/O 113969528 FVYNPFNRUNVROH-NSCUHMNNSA-N 102.089 0.231 10 50 ACCA CCNCCN(CC)/[N+]([O-])=N/O 2568373 DPKCLDSTXVCYSN-NTMALXAHSA-N 176.220 0.185 10 50 ACCA Nc1ccc(-n2nccn2)cc1 32627779 PQLNCYKUQDUNHI-UHFFFAOYSA-N 160.180 0.850 10 50 ACCA in-vitro C[C@H]1CCCC(=O)C1=O 100023851 JDXJKLGWPNXSHL-YFKPBYRVSA-N 126.155 0.945 10 50 ACCA endogenous,in-man O=C(O)c1ccc(O)c(O)c1 13246 YQUVCSBJEUQKSH-UHFFFAOYSA-N 154.121 0.796 10 50 ACCA endogenous,in-man CS(=O)(=O)Nc1ccc(O)cc1 3074663 YJASRJZSSUOGKB-UHFFFAOYSA-N 187.220 0.764 10 50 ACCA in-vitro N[C@@H](CC(=O)O)c1ccc(O)cc1O 8022338 SLASMFLPYYVGRW-ZETCQYMHSA-N 197.190 0.572 10 50 ACCA in-vitro OC[C@H](O)c1ccc(O)c(O)c1 402871 MTVWFVDWRVYDOR-QMMMGPOBSA-N 170.164 0.124 10 50 ACCA endogenous,in-man C/C=C/C=C1C(=O)NC(=S)NC1=O 3121577 KXNPSQQNORGKEB-NSCUHMNNSA-N 196.231 0.020 10 50 ACCA COC(=O)CN=[N+]=[N-] 100017103 RXYCUKSOYJWGPE-UHFFFAOYSA-N 115.092 0.470 10 50 ACCA in-vitro CC1=[N+](C)CCn2cccc21 245872 KEAKTOJDKSDSON-UHFFFAOYSA-N 149.217 0.953 10 50 ACCA [N-]=[N+]=NCCCC[C@H](N)C(=O)O 35854941 HTFFMYRVHHNNBE-YFKPBYRVSA-N 172.188 0.879 10 50 ACCA in-vitro N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O 895199 WTDRDQBEARUVNC-LURJTMIESA-N 197.190 0.052 10 50 ACCA endogenous,fda Cn1ccc(/C=C/[N+](=O)[O-])cc1=O 669368977 UHQLCTPBBVCWAX-HWKANZROSA-N 180.163 0.633 10 50 ACCA CCC(=O)C(C)=O 1683666 TZMFJUDUGYTVRY-UHFFFAOYSA-N 100.117 0.555 10 50 ACCA endogenous,in-man CC(=O)C(C)=O 1532732 QSJXEFYPDANLFS-UHFFFAOYSA-N 86.090 0.164 10 50 ACCA endogenous,in-man OCc1ccc(O)c(O)c1 1582891 PCYGLFXKCBFGPC-UHFFFAOYSA-N 140.138 0.590 10 50 ACCA biogenic,in-vitro NC(=O)NCc1ccc(N)cc1 2512909 RGYZJIDZPOLIHW-UHFFFAOYSA-N 165.196 0.437 10 50 ACCA in-vitro NC1=NN(c2ccc(N)cc2)CC1 4455685 WFTSBMRVTWFBIF-UHFFFAOYSA-N 176.223 0.751 10 50 ACCA CC1(C)CC(=O)C(=[N+]=[N-])C(=O)C1 4837003 DMOYBIUAWCVPLF-UHFFFAOYSA-N 166.180 0.615 10 50 ACCA O=C1C(=O)[C@H]2CCC[C@H]1C2 101082204 MGUXKQXRQWEMAJ-WDSKDSINSA-N 138.166 0.945 10 50 ACCA O=C1c2ccccc2C(=O)[C@H]2O[C@H]12 100200507 TVVRFUOKLKGUKT-NXEZZACHSA-N 174.155 0.833 10 50 ACCA Nc1ccc(CP(=O)(O)O)cc1 1871203 NEKHKXMBGWNTOO-UHFFFAOYSA-N 187.135 0.947 10 50 ACCA Cc1ccc(O)c([C@@](C)(N)C(=O)O)c1 4234477 VWFLEXUNTGIBFT-SNVBAGLBSA-N 195.218 0.959 10 50 ACCA in-vitro Nc1ccc(-n2cnnn2)cc1 419319 JRRAUWWVBVECPY-UHFFFAOYSA-N 161.168 0.245 10 50 ACCA in-vitro COc1cc(C=O)cc(O)c1O 1747212 RRKMWVISRMWBAL-UHFFFAOYSA-N 168.148 0.919 10 50 ACCA biogenic,in-vitro O=C(O)/C=C/c1ccc(O)c(O)c1O 2504935 RHGWNBSOWGUGPA-DUXPYHPUSA-N 196.158 0.901 10 50 ACCA CO[C@@H]1C=C[C@](C)(OC)O1 4289103 ODARVONGEVVSAG-NKWVEPMBSA-N 144.170 0.908 10 50 ACCA O=C(O)[C@H](O)Cc1ccc(O)c(O)c1 895535 PAFLSMZLRSPALU-MRVPVSSYSA-N 198.174 0.086 10 50 ACCA endogenous,in-man CCC(=O)CC(=O)C(C)=O 228378133 PLNIROICNOROEN-UHFFFAOYSA-N 142.154 0.514 10 50 ACCA Nc1ccc(C[C@@H](N)C(=O)O)cc1 4222913 CMUHFUGDYMFHEI-MRVPVSSYSA-N 180.207 0.223 10 50 ACCA endogenous,in-man NCCc1cc(O)c(O)cc1O 39112 DIVDFFZHCJEHGG-UHFFFAOYSA-N 169.180 0.305 10 50 ACCA endogenous,world CCN(CC)C(=O)[n+]1ccc(N)cc1 389055 UBFORGANDGMYPX-UHFFFAOYSA-O 194.258 0.866 10 50 ACCA NCc1ccc(F)cc1O 82848500 UEMVCBICOZOEQT-UHFFFAOYSA-N 141.145 0.990 10 50 ACCA in-vitro COc1ccc(CNC(=N)N)c(O)c1 849093026 FYJFXYYKSAEJCS-UHFFFAOYSA-N 195.222 0.384 10 50 ACCA CO[C@H]1C=C[C@](C)(OC)O1 4289101 ODARVONGEVVSAG-RNFRBKRXSA-N 144.170 0.908 10 50 ACCA COC(=O)/C=C1\SC(C)=NC1=O 4580943 LFIPWTUPPQHYIV-HYXAFXHYSA-N 185.204 0.735 10 50 ACCA COC(=O)[C@]1(OC)C=C[C@@H](OC)O1 3860954 GHVXSSBZJZUDSO-XPUUQOCRSA-N 188.179 0.061 10 50 ACCA Oc1ccccc1CN1CCNCC1 34355661 GQRQDGSWNXOCNK-UHFFFAOYSA-N 192.262 0.797 10 50 ACCA in-vitro C[C@@H]1CCC(=O)C1=O 1850928 OACYKCIZDVVNJL-SCSAIBSYSA-N 112.128 0.555 10 50 ACCA endogenous,in-man Nc1ccc(Oc2nnn[nH]2)cc1 19090679 KYRUSFOAGBAPGT-UHFFFAOYSA-N 177.167 0.574 10 50 ACCA in-vitro CC(=S)CC(N)=O 4794455 SEEGHLNEDFXDTO-UHFFFAOYSA-N 117.173 0.252 10 50 ACCA CN(CCC(N)=O)c1ccc(N)cc1 36925763 YNJZYYWYACVMGM-UHFFFAOYSA-N 193.250 0.580 10 50 ACCA NC(=O)CCNc1ccc(N)cc1 36747121 LUAFQKXRHWACEG-UHFFFAOYSA-N 179.223 0.556 10 50 ACCA in-vitro Nc1nonc1/N=N\c1nonc1N 15636578 YBRXRTHOHUWQLL-FPLPWBNLSA-N 196.130 0.032 10 50 ACCA N[C@H](CC(=O)O)c1ccccc1O 21865 BMUFWTKVAWBABX-SSDOTTSWSA-N 181.191 0.867 10 50 ACCA in-vitro Nc1ccc(CN2CC(O)C2)cc1 86003134 IODMYJCLGLMULR-UHFFFAOYSA-N 178.235 0.445 10 50 ACCA C[C@@H]1CC(=O)C(=O)[C@@H]1C 1850694 WGAVDEVFJDQIMZ-RFZPGFLSSA-N 126.155 0.801 10 50 ACCA endogenous,in-man O=C(O)[C@H](O)c1ccc(O)c(O)c1 388311 RGHMISIYKIHAJW-SSDOTTSWSA-N 184.147 0.216 10 50 ACCA endogenous,in-man Nc1ccc(CC(=O)O)cc1 153120 CSEWAUGPAQPMDC-UHFFFAOYSA-N 151.165 0.896 10 50 ACCA biogenic,in-vitro CN(C)N1C(=O)CSC1=S 1319368 QKYRYMYVJBFZGG-UHFFFAOYSA-N 176.266 0.323 10 50 ACCA Nc1ccc(NCCO)cc1 8306618 RBUQOUQQUQCSAU-UHFFFAOYSA-N 152.197 0.673 10 50 ACCA in-vitro O=C1CCCCC1=O 100003928 OILAIQUEIWYQPH-UHFFFAOYSA-N 112.128 0.699 10 50 ACCA endogenous,in-man CN1C(=O)CSC1=S 1235917 JKLZCQWVERBDEZ-UHFFFAOYSA-N 147.224 0.477 10 50 ACCA COCC(=O)Nc1ccc(N)cc1 8703427 RLHBCXKHVSXMKY-UHFFFAOYSA-N 180.207 0.854 10 50 ACCA in-vitro CS(=O)(=O)CCN=[N+]=[N-] 42390303 DRFFXWAMZHTTEG-UHFFFAOYSA-N 149.175 0.341 10 50 ACCA in-vitro CN(C)C(=O)Cc1ccc(N)cc1 20154917 HKWHCRLGBUCCTI-UHFFFAOYSA-N 178.235 0.900 10 50 ACCA in-vitro CNC(=O)Cc1ccc(N)cc1 20154915 LDGLZUCCUIXNGP-UHFFFAOYSA-N 164.208 0.557 10 50 ACCA in-vitro NCCOc1ccc(N)cc1 5394834 BDMVWJHOWDSYFF-UHFFFAOYSA-N 152.197 0.606 10 50 ACCA in-vitro CN(C)c1ccc([C@H](N)C(=O)O)cc1 2582481 ZFEBPWVKGQEONY-VIFPVBQESA-N 194.234 0.837 10 50 ACCA in-vitro C[C@@H]1CCCC(=O)C1=O 100023849 JDXJKLGWPNXSHL-RXMQYKEDSA-N 126.155 0.945 10 50 ACCA endogenous,in-man C/N=[N+](\C)[O-] 5065023 DGAKHGXRMXWHBX-ONEGZZNKSA-N 74.083 0.209 10 50 ACCA NC[C@@H](O)c1ccc(O)c(O)c1 57623 SFLSHLFXELFNJZ-MRVPVSSYSA-N 169.180 0.090 10 50 ACCA endogenous,investigational Nc1ccc(O[C@@H]2CC(=O)N2)cc1 242347010 ZKZVRHVCOSTRLM-SECBINFHSA-N 178.191 0.494 10 50 ACCA CCCC(=O)CC(=O)C(C)=O 122637328 YZYNVMPZLPGZPN-UHFFFAOYSA-N 156.181 0.904 10 50 ACCA CCCC(=O)C(C)=O 1663923 MWVFCEVNXHTDNF-UHFFFAOYSA-N 114.144 0.945 10 50 ACCA endogenous,in-man CN(C)/N=N/c1[nH]cnc1C(N)=O 100019007 FDKXTQMXEQVLRF-ZHACJKMWSA-N 182.187 0.069 10 50 ACCA fda [N-]=[N+]=NCCOCC(=O)O 34120161 USTXYASKHZDVMV-UHFFFAOYSA-N 145.118 0.398 10 50 ACCA in-vitro [N-]=[N+]=NCC[C@H](N)C(=O)O 5113479 NNWQLZWAZSJGLY-VKHMYHEASA-N 144.134 0.099 10 50 ACCA in-vitro NC(=O)CCOc1ccc(N)cc1 32627934 CYFJIKZBCBBFIS-UHFFFAOYSA-N 180.207 0.523 10 50 ACCA in-vitro NC[C@H](O)c1ccc(O)c(O)c1 57624 SFLSHLFXELFNJZ-QMMMGPOBSA-N 169.180 0.090 10 50 ACCA endogenous,fda [N-]=[N+]=NCCOCCO 38529516 CGJFKQFYZOARRV-UHFFFAOYSA-N 131.135 0.306 10 50 ACCA in-vitro Nc1ccc(C[C@H]2COC(=O)N2)cc1 4101055 WNAVSKJKDPLWBD-VIFPVBQESA-N 192.218 0.920 10 50 ACCA in-vitro CNCCc1ccc(O)c(O)c1 1530781 NGKZFDYBISXGGS-UHFFFAOYSA-N 167.208 0.860 10 50 ACCA endogenous,in-man Nc1ccc(C[C@H](N)C(=O)O)cc1 968044 CMUHFUGDYMFHEI-QMMMGPOBSA-N 180.207 0.223 10 50 ACCA endogenous,in-man Nc1ccc(Cn2cncn2)cc1 337935 ZGLQVRIVLWGDNA-UHFFFAOYSA-N 174.207 0.909 10 50 ACCA in-vitro O=S(=O)(O)c1ccc(O)c(O)c1 1530527 LTPDITOEDOAWRU-UHFFFAOYSA-N 190.176 0.345 10 50 ACCA in-vitro COC(=O)[C@@]1(OC)C=C[C@H](OC)O1 3860953 GHVXSSBZJZUDSO-HTRCEHHLSA-N 188.179 0.061 10 50 ACCA CCOC(=O)[C@H]1CCCC(=O)C1=O 135098333 VRDGDPBEEZEOFK-LURJTMIESA-N 184.191 0.488 10 50 ACCA COC(=O)[C@]1(OC)C=C[C@H](OC)O1 3860955 GHVXSSBZJZUDSO-SVRRBLITSA-N 188.179 0.061 10 50 ACCA Nc1ccc(N2CCNC(=O)C2)cc1 17156051 PZAWODZZVTUFBG-UHFFFAOYSA-N 191.234 0.205 10 50 ACCA in-vitro C[C@H](N)[C@@H](O)c1ccc(O)c(O)c1 34159 GEFQWZLICWMTKF-SSDLBLMSSA-N 183.207 0.478 10 50 ACCA endogenous,in-man NCc1ccccc1O 153936 KPRZOPQOBJRYSW-UHFFFAOYSA-N 123.155 0.851 10 50 ACCA biogenic,in-vitro NCc1cc(C(=O)O)ccc1O 4602450 URPIPCOBYJOTAX-UHFFFAOYSA-N 167.164 0.549 10 50 ACCA Nc1ccc(N2CCNCC2=O)cc1 95896278 MULQTIPGVGXHBL-UHFFFAOYSA-N 191.234 0.205 10 50 ACCA in-vitro [N-]=[N+]=NCCCN 5113420 OYBOVXXFJYJYPC-UHFFFAOYSA-N 100.125 0.646 10 50 ACCA in-vitro NCCc1cc(O)c(O)c(O)c1 119563 LCAINUZZHIZKKS-UHFFFAOYSA-N 169.180 0.305 10 50 ACCA endogenous,in-man Nc1ccc(NC(=O)C(=O)O)cc1 1669683 HVAINFDIRWAPQM-UHFFFAOYSA-N 180.163 0.292 10 50 ACCA in-vitro C[C@@H](N)C(=O)c1ccc(O)c(O)c1 65734224 VTUFBPJUFSJZCT-RXMQYKEDSA-N 181.191 0.628 10 50 ACCA in-vitro O=C(O)C(=O)Cc1ccc(O)c(O)c1 1529835 LQQFFJFGLSKYIR-UHFFFAOYSA-N 196.158 0.294 10 50 ACCA in-vitro C[C@@H]1C(=O)C(=O)C[C@H]1C 1850692 WGAVDEVFJDQIMZ-UHNVWZDZSA-N 126.155 0.801 10 50 ACCA endogenous,in-man O=C(O)c1cccc(O)c1O 388166 GLDQAMYCGOIJDV-UHFFFAOYSA-N 154.121 0.796 10 50 ACCA endogenous,in-man CNCc1ccc(N)cc1 153939 FTAMTADBFJSWRE-UHFFFAOYSA-N 136.198 0.988 10 50 ACCA [N-]=[N+]=NCCOCCC(=O)O 83254079 JKOVLUVEHHGAEW-UHFFFAOYSA-N 159.145 0.788 10 50 ACCA in-vitro COc1ccccc1NC[C@@H](O)CN 191148 BWIHDKPQLRLJOF-QMMMGPOBSA-N 196.250 0.427 10 50 ACCA [N-]=[N+]=NCCC(=O)O 5113478 YIPVUXAMZQBALD-UHFFFAOYSA-N 115.092 0.771 10 50 ACCA in-vitro Nc1ccc(N)cc1 8294962 CBCKQZAAMUWICA-UHFFFAOYSA-N 108.144 0.851 10 50 ACCA biogenic,in-vivo COC(=O)Cc1ccc(N)cc1 1494999 TVIVLENJTXGRAM-UHFFFAOYSA-N 165.192 0.984 10 50 ACCA in-vitro N[C@H](Cc1ccc(O)c(O)c1)C(=O)O 1506908 WTDRDQBEARUVNC-ZCFIWIBFSA-N 197.190 0.052 10 50 ACCA endogenous,in-man CC(C)(C)OC(=O)C=[N+]=[N-] 4978255 JBVSBLLOZVDAAZ-UHFFFAOYSA-N 142.158 0.629 10 50 ACCA in-vitro O=C1CSC(=S)N1 3875936 KIWUVOGUEXMXSV-UHFFFAOYSA-N 133.197 0.134 10 50 ACCA in-vitro NCc1cc(F)ccc1O 58824987 UYMVQJOKMVAUIS-UHFFFAOYSA-N 141.145 0.990 10 50 ACCA in-vitro O=C1O[C@@H]2CC=C[C@H]2/C1=C/O 102319830 IFWDODLFYRKCQR-ZKLKHFGNSA-N 152.149 0.930 10 50 ACCA N[C@@H](C(=O)O)c1ccccc1O 13910301 LIDYFNYBHXPTJG-SSDOTTSWSA-N 167.164 0.477 10 50 ACCA in-vitro CN1CC[N+](C)=C1N=[N+]=[N-] 72194323 DFQWZENBAIPLKF-UHFFFAOYSA-N 140.170 0.240 10 50 ACCA in-vitro CNC(=O)CN=[N+]=[N-] 100094054 AKGIDMWPOLTCLT-UHFFFAOYSA-N 114.108 0.043 10 50 ACCA in-vitro CNCCOCCOCCN=[N+]=[N-] 238343317 VEHCZDVZXVAGBF-UHFFFAOYSA-N 188.231 0.549 10 50 ACCA O=Cc1ccc(O)c(O)c1 13245 IBGBGRVKPALMCQ-UHFFFAOYSA-N 138.122 0.910 10 50 ACCA biogenic,world COC(=O)c1cc(O)c(O)c(OC)c1 1556402 LVVUKXKEXOTUPV-UHFFFAOYSA-N 198.174 0.893 10 50 ACCA biogenic,in-vitro NC(=O)NC(=O)c1ccsc1N 6537104 OAWUKGOACZAMCO-UHFFFAOYSA-N 185.208 0.139 10 50 ACCA in-vitro NCc1ccc(N2CCOCC2)cc1 158855 LTILPSKZXNIITC-UHFFFAOYSA-N 192.262 0.982 10 50 ACCA in-vitro Nc1ccc(N2CCNCC2)cc1 265626 VAVOYRCCWLRTMS-UHFFFAOYSA-N 177.251 0.678 10 50 ACCA in-vitro CCOC(=O)CN=[N+]=[N-] 95707933 HVJJYOAPXBPQQV-UHFFFAOYSA-N 129.119 0.860 10 50 ACCA in-vitro CCO/N=[N+](\O)C/[N+](O)=N/OC 253394679 IVDFMSQQVQJYMS-UHFFFAOYSA-N 180.164 0.165 10 50 ACCA COCCOCCN=[N+]=[N-] 34115250 OXDZFVNIVMSPEG-UHFFFAOYSA-N 145.162 0.960 10 50 ACCA in-vitro CCOC(=O)[C@@H]1CCCC(=O)C1=O 135098316 VRDGDPBEEZEOFK-ZCFIWIBFSA-N 184.191 0.488 10 50 ACCA CCOC(=O)/C=C/O 100055356 NINSPLAPBBAHEW-ONEGZZNKSA-N 116.116 0.621 10 50 ACCA in-vitro CC(=O)[C@@H]1CCCC(=O)C1=O 110288438 ADGTZUDGYNGCHT-LURJTMIESA-N 154.165 0.514 10 50 ACCA C[C@H](N)C(=O)c1ccc(O)c(O)c1 65734222 VTUFBPJUFSJZCT-YFKPBYRVSA-N 181.191 0.628 10 50 ACCA in-vitro O=C1CCCC1=O 100626281 CIISBNCSMVCNIP-UHFFFAOYSA-N 98.101 0.309 10 50 ACCA in-vitro COCCOCCOCCN=[N+]=[N-] 38672244 ZSSKNHYYIBAWRX-UHFFFAOYSA-N 189.215 0.976 10 50 ACCA in-vitro [N-]=[N+]=NCCOCCOCCN 71261537 ZHWGWSYNZIZTFL-UHFFFAOYSA-N 174.204 0.289 10 50 ACCA in-vitro CNC(=O)CCc1ccc(N)cc1 20221047 XDIZSQMXCUSTBN-UHFFFAOYSA-N 178.235 0.947 10 50 ACCA in-vitro O=C1Cc2ccccc2C1=O 1691218 WFFZGYRTVIPBFN-UHFFFAOYSA-N 146.145 0.995 10 50 ACCA in-vivo Cc1nonc1/[N+](O)=N/C#N 225410888 CABANVLVOFGCHW-UHFFFAOYSA-N 154.109 0.345 10 50 ACCA NC(=O)Cc1ccc(N)cc1 1675015 PBFBGLBYZHLKHL-UHFFFAOYSA-N 150.181 0.297 10 50 ACCA in-vitro C[C@H](N)[C@H](O)c1ccc(O)c(O)c1 34157 GEFQWZLICWMTKF-CDUCUWFYSA-N 183.207 0.478 10 50 ACCA endogenous,fda COc1ccccc1NC[C@@H](O)CO 49811726 CYZWWNDOIPZOOI-MRVPVSSYSA-N 197.234 0.460 10 50 ACCA COC(=O)[n+]1cccc(C)c1 406411 FADAIZJBZSECEX-UHFFFAOYSA-N 152.173 0.897 10 50 ACCA Nc1ccc(OCC(=O)O)cc1 52866 GIFGMEWQGDEWKB-UHFFFAOYSA-N 167.164 0.732 10 50 ACCA in-vitro Nc1ccc(OP(=O)(O)O)cc1 2558168 FXZCCINCKDATPA-UHFFFAOYSA-N 189.107 0.740 10 50 ACCA in-vitro COC(=O)/C(=C/O)C(OC)OC 113933935 HXJYQEAKVUQQLM-PLNGDYQASA-N 176.168 0.220 10 50 ACCA Nc1ccc(CO)cc1 4271989 AXKGIPZJYUNAIW-UHFFFAOYSA-N 123.155 0.761 10 50 ACCA in-vitro CN(C=O)c1ccc(N)cc1 36928243 USTMJTINOLXGCI-UHFFFAOYSA-N 150.181 0.861 10 50 ACCA Nc1ccc(O[C@H]2CC(=O)N2)cc1 253432432 ZKZVRHVCOSTRLM-VIFPVBQESA-N 178.191 0.494 10 50 ACCA CNCC(=O)c1ccc(O)c(O)c1 34781660 PZMVOUYYNKPMSI-UHFFFAOYSA-N 181.191 0.500 10 50 ACCA in-man O=C(O)c1cc(O)c(O)cc1O 1641166 GPDXFYPVHRESMA-UHFFFAOYSA-N 170.120 0.502 10 50 ACCA [N-]=[N+]=NCCN1CCOCC1 15443133 KBEOLKFODUELIW-UHFFFAOYSA-N 156.189 0.629 10 50 ACCA COC(=O)[n+]1nn(O)c2ccccc21 148269124 HTVIOOLUHYRQMK-UHFFFAOYSA-N 194.170 0.176 10 50 ACCA COc1ccccc1NC[C@H](O)CN 191146 BWIHDKPQLRLJOF-MRVPVSSYSA-N 196.250 0.427 10 50 ACCA O=Cc1cccc(O)c1O 332561 IXWOUPGDGMCKGT-UHFFFAOYSA-N 138.122 0.910 10 50 ACCA in-vitro [N-]=[N+]=NCCC[C@H](N)C(=O)O 35881876 AUARUCAREKTRCL-BYPYZUCNSA-N 158.161 0.489 10 50 ACCA CCC(=O)[C@@H]1CCCC(=O)C1=O 228378198 GUMVLAYLXDJGPX-LURJTMIESA-N 168.192 0.904 10 50 ACCA O=C(O)c1cc(O)c(O)c(O)c1 1504 LNTHITQWFMADLM-UHFFFAOYSA-N 170.120 0.502 10 50 ACCA metabolite,world CN(CCO)c1ccc(N)cc1 20374521 GJMFIOIYHBJNOY-UHFFFAOYSA-N 166.224 0.697 10 50 ACCA in-vitro CCN1C(=O)CSC1=S 1318784 UPCYEFFISUGBRW-UHFFFAOYSA-N 161.251 0.867 10 50 ACCA in-vitro Cc1nc(=O)n(-c2ccc(N)cc2)[nH]1 1536219853 UBHVTCUHDKSLBO-UHFFFAOYSA-N 190.206 0.451 10 50 ACCA OC[C@@H](O)c1ccc(O)c(O)c1 402870 MTVWFVDWRVYDOR-MRVPVSSYSA-N 170.164 0.124 10 50 ACCA endogenous,in-man CCNC(=O)[C@@H]1C[C@@H](N=[N+]=[N-])CN1 299773406 AHUTUFUXQGSAQJ-RITPCOANSA-N 183.215 0.163 10 50 ACCA O=Cc1cc(O)c(O)c([N+](=O)[O-])c1 2779 BBFJODMCHICIAA-UHFFFAOYSA-N 183.119 0.819 10 50 ACCA in-vitro COC=C1C(=O)OC(C)(C)OC1=O 1638658 DVLSQHLXPRYYRC-UHFFFAOYSA-N 186.163 0.353 10 50 ACCA NC(=O)c1ccc(O)c(O)c1 2561367 GNWREYFHYLIYJE-UHFFFAOYSA-N 153.137 0.197 10 50 ACCA in-vitro [N-]=[N+]=NCCCO 34596136 WHVSIWLMCCGHFW-UHFFFAOYSA-N 101.109 0.679 10 50 ACCA in-vitro Nc1ccc(-n2ccnn2)cc1 34575061 VBRMIWOLUCKNTN-UHFFFAOYSA-N 160.180 0.850 10 50 ACCA in-vitro COC(=O)C(=[N+]=[N-])C(F)(F)F 4268757 CRPRBPSWJPEAMC-UHFFFAOYSA-N 168.074 0.393 10 50 ACCA O=Cc1ccc(O)c(O)c1O 1595754 CRPNQSVBEWWHIJ-UHFFFAOYSA-N 154.121 0.616 10 50 ACCA biogenic,in-vitro CCC(=O)C(=O)CC 1602516 KVFQMAZOBTXCAZ-UHFFFAOYSA-N 114.144 0.945 10 50 ACCA endogenous,in-man O=Cc1cc(O)c(O)cc1O 2566020 WNCNWLVQSHZVKV-UHFFFAOYSA-N 154.121 0.616 10 50 ACCA in-vitro NC(=O)CCc1ccc(N)cc1 27617505 WICPORLNXBPBPR-UHFFFAOYSA-N 164.208 0.687 10 50 ACCA in-vitro C[C@H](N=[N+]=[N-])C(=O)O 94781581 XVNBLPHVIQXLMS-REOHCLBHSA-N 115.092 0.770 10 50 ACCA COC(=O)[C@H]1CCCC(=O)C1=O 122635848 MDLFOTHGALDARU-YFKPBYRVSA-N 170.164 0.098 10 50 ACCA CC(=O)[C@H]1CCCC(=O)C1=O 110288441 ADGTZUDGYNGCHT-ZCFIWIBFSA-N 154.165 0.514 10 50 ACCA C[C@H]1CC(=O)C(=O)[C@H]1C 1850690 WGAVDEVFJDQIMZ-WHFBIAKZSA-N 126.155 0.801 10 50 ACCA endogenous,in-man CO[C@H]1C=C[C@@](C)(OC)O1 4289102 ODARVONGEVVSAG-RQJHMYQMSA-N 144.170 0.908 10 50 ACCA [N-]=[N+]=NCc1nc2ncccn2n1 70461068 MKIZBVKFASNVFC-UHFFFAOYSA-N 175.155 0.935 10 50 ACCA NCCc1ccc(O)c(O)c1 33882 VYFYYTLLBUKUHU-UHFFFAOYSA-N 153.181 0.599 10 50 ACCA endogenous,fda NCc1ccc(O)cc1O 6092099 BJJYHNCUAZNAOP-UHFFFAOYSA-N 139.154 0.557 10 50 ACCA in-vitro Cc1[nH]cnc1CSCCN 3882597 JEOZNMMOIBLWLV-UHFFFAOYSA-N 171.269 0.910 10 50 ACCA in-vitro CCCC[C@H]1C(=O)CC(=O)C1=O 100809050 HMFXLRRRGHKBCH-LURJTMIESA-N 168.192 0.904 10 50 ACCA CCO/N=[N+](\[O-])C/[N+]([O-])=N/OC 252496276 PFAYEAMMHBKXEZ-SFECMWDFSA-N 178.148 0.382 10 50 ACCA CNCc1ccc(O)c(O)c1 22145060 WWISMTZVJLSIBL-UHFFFAOYSA-N 153.181 0.817 10 50 ACCA in-vitro CNC[C@@H](O)c1ccc(O)c(O)c1 39090 UCTWMZQNUQWSLP-SECBINFHSA-N 183.207 0.351 10 50 ACCA endogenous,investigational Cc1nnnn1-c1ccc(N)cc1 3877569 NWSABTXLPRLZII-UHFFFAOYSA-N 175.195 0.553 10 50 ACCA in-vitro Nc1ccc(C2=NNC(=O)C2)cc1 100113520 GTLROTJOCPBZQQ-UHFFFAOYSA-N 175.191 0.493 10 50 ACCA in-vitro COC(=O)c1cc(O)c(O)c(O)c1 21789 FBSFWRHWHYMIOG-UHFFFAOYSA-N 184.147 0.590 10 50 ACCA biogenic,in-vitro Nc1ccc(N(CCO)CCO)cc1 5117196 ISCYHXYLVTWDJT-UHFFFAOYSA-N 196.250 0.060 10 50 ACCA biogenic,in-vitro NCc1ccc(O)c(O)c1 388548 YFMPSMITLLBENU-UHFFFAOYSA-N 139.154 0.557 10 50 ACCA endogenous,in-man N[C@@H](C(=O)O)c1cc(F)ccc1O 82877675 FAESPUPJJGMLKW-SSDOTTSWSA-N 185.154 0.616 10 50 ACCA NC(=O)c1ccsc1N 78193 WHZIZZOTISTHCT-UHFFFAOYSA-N 142.183 0.429 10 50 ACCA in-vitro COC(=O)c1ccc(O)c(O)c1 405329 CUFLZUDASVUNOE-UHFFFAOYSA-N 168.148 0.884 10 50 ACCA biogenic,in-vitro CC(C)(/N=N/C(C)(C)C(=N)N)C(=N)N 3871351 CCTFAOUOYLVUFG-BUHFOSPRSA-N 198.274 0.868 10 50 ACCA in-vitro [N-]=[N+]=NCC(=O)O 95712778 PPXUUPXQWDQNGO-UHFFFAOYSA-N 101.065 0.381 10 50 ACCA in-vitro C[C@H]1CC(=O)C(=O)[C@@H]1C 1850693 WGAVDEVFJDQIMZ-CRCLSJGQSA-N 126.155 0.801 10 50 ACCA endogenous,in-man CN(C)c1ccc(CNCCO)cc1 1666242 QMTREYREQKDBSD-UHFFFAOYSA-N 194.278 0.835 10 50 ACCA COc1cc(C(=O)O)cc(O)c1O 895819 KWCCUYSXAYTNKA-UHFFFAOYSA-N 184.147 0.805 10 50 ACCA biogenic,in-vitro Oc1ccc([C@@H]2CNCCO2)cc1O 2383103 GYJRRQRGZZEHEB-JTQLQIEISA-N 195.218 0.759 10 50 ACCA in-vivo CC(C)(C)C1(C)NNC(=S)NN1 670419875 WGNADMPEYCYZJQ-UHFFFAOYSA-N 188.300 0.236 10 50 ACCA Oc1cc2c(cc1O)CNCC2 3847413 MBFUSGLXKQWVDW-UHFFFAOYSA-N 165.192 0.744 10 50 ACCA endogenous,in-man CCc1nnn(-c2ccc(N)cc2)n1 72209407 ZMLBHJLOJXUFQC-UHFFFAOYSA-N 189.222 0.807 10 50 ACCA in-vitro CCN1C(=O)CC(=O)N1CC 142996640 LEDXVVSZBQRIKT-UHFFFAOYSA-N 156.185 0.002 10 50 ACCA Oc1cccc(O)c1O 330141 WQGWDDDVZFFDIG-UHFFFAOYSA-N 126.111 0.803 10 50 ACCA endogenous,in-man OCCc1ccc(O)c(O)c1 2379217 JUUBCHWRXWPFFH-UHFFFAOYSA-N 154.165 0.633 10 50 ACCA endogenous,investigational CN(C)CC(=O)Nc1ccc(N)cc1 8703587 QACLSTIJJPYRJI-UHFFFAOYSA-N 193.250 0.769 10 50 ACCA in-vitro C[C@@H]1C[C@@H](C)C(=O)C1=O 1850685 MIDXCONKKJTLDX-RFZPGFLSSA-N 126.155 0.801 10 50 ACCA endogenous,in-man CS(=O)(=O)Nc1ccc(N)cc1 3991723 ZGZFEDUYJFEJAW-UHFFFAOYSA-N 186.236 0.640 10 50 ACCA in-vitro CNC[C@H](O)c1ccc(O)c(O)c1 39089 UCTWMZQNUQWSLP-VIFPVBQESA-N 183.207 0.351 10 50 ACCA endogenous,fda O=C1c2ccccc2C(=O)[C@@H]2O[C@@H]12 100012921 TVVRFUOKLKGUKT-UWVGGRQHSA-N 174.155 0.833 10 50 ACCA [N-]=[N+]=NCCCC[C@@H](N)C(=O)O 35854942 HTFFMYRVHHNNBE-RXMQYKEDSA-N 172.188 0.879 10 50 ACCA COC(=O)c1ccc(O)c(CN)c1 30952854 YZSHPWZCVMDQNE-UHFFFAOYSA-N 181.191 0.638 10 50 ACCA O/N=N/O 8383208 NFMHSPWHNQRFNR-UHFFFAOYSA-N 62.028 0.217 10 50 ACCA in-vitro COc1ccccc1NC[C@H](O)CO 37874524 CYZWWNDOIPZOOI-QMMMGPOBSA-N 197.234 0.460 10 50 ACCA O=c1[nH]cnc2cc(O)c(O)cc12 72191279 NDHAHRQOSZIMIN-UHFFFAOYSA-N 178.147 0.334 10 50 ACCA CCOC(=O)c1cc(O)c(O)c(O)c1 21790 VFPFQHQNJCMNBZ-UHFFFAOYSA-N 198.174 0.980 10 50 ACCA endogenous,in-man C[C@@H](N)[C@@H](O)c1ccc(O)c(O)c1 34160 GEFQWZLICWMTKF-MLUIRONXSA-N 183.207 0.478 10 50 ACCA endogenous,in-man Nc1ccc(N2C(=O)C=CC2=O)cc1 2169111 XOPCHXSYQHXLHJ-UHFFFAOYSA-N 188.186 0.698 10 50 ACCA in-vitro Cc1cc(O)n2ncc(C(=O)O)c2n1 100060992 BKWFHANLTXQVMR-UHFFFAOYSA-N 193.162 0.442 10 50 ACCA Nc1ccc(-n2cncn2)cc1 153516 BLNPEJXSNSBBNM-UHFFFAOYSA-N 160.180 0.850 10 50 ACCA in-vitro Oc1cccc2c1CNC2 34368319 ZSRQKHWUGHTSHQ-UHFFFAOYSA-N 135.166 0.995 10 50 ACCA in-vitro C[C@H]1CCC(=O)C1=O 394532 OACYKCIZDVVNJL-BYPYZUCNSA-N 112.128 0.555 10 50 ACCA endogenous,in-man O=C(O)[C@@H](O)c1ccc(O)c(O)c1 388310 RGHMISIYKIHAJW-ZETCQYMHSA-N 184.147 0.216 10 50 ACCA endogenous,in-man [N-]=[N+]=NCCOCCOCCO 22049545 PMNIHDBMMDOUPD-UHFFFAOYSA-N 175.188 0.322 10 50 ACCA in-vitro O=Cc1cc(O)c(O)cc1[N+](=O)[O-] 95100161 SDAAKNQPCGUCNH-UHFFFAOYSA-N 183.119 0.819 10 50 ACCA in-vitro CC(C)N(CCCN)/[N+]([O-])=N/O 2564833 MTIRIKBRVALRPJ-NTMALXAHSA-N 176.220 0.312 10 50 ACCA O=C1COC=CC1=S 238607409 WEFLSBNVZCEOKY-UHFFFAOYSA-N 128.152 0.469 10 50 ACCA NC(=O)Nc1ccc(N)cc1 1683199 XVCKCCODMHCXJD-UHFFFAOYSA-N 151.169 0.759 10 50 ACCA in-vitro C[C@@H](N)[C@H](O)c1ccc(O)c(O)c1 34158 GEFQWZLICWMTKF-ANLVUFKYSA-N 183.207 0.478 10 50 ACCA endogenous,in-man O=C1O[C@H]2CC=C[C@@H]2/C1=C/O 102319829 IFWDODLFYRKCQR-PILOXKEJSA-N 152.149 0.930 10 50 ACCA CN(C)c1ccc([C@@H](N)C(=O)O)cc1 1656227 ZFEBPWVKGQEONY-SECBINFHSA-N 194.234 0.837 10 50 ACCA in-vitro O=Cc1cc([N+](=O)[O-])cc(O)c1O 13730971 SCSROOBIOOCHHI-UHFFFAOYSA-N 183.119 0.819 10 50 ACCA COP(=O)(OC)C(=[N+]=[N-])C(C)=O 40435381 SQHSJJGGWYIFCD-UHFFFAOYSA-N 192.111 0.690 10 50 ACCA NCc1cc(Cl)cc(CN)c1O 95616350 PJHCCHKPTWPTRX-UHFFFAOYSA-N 186.642 0.963 10 50 ACCA in-vitro COC(=O)[C@@H]1CCCC(=O)C1=O 122635645 MDLFOTHGALDARU-RXMQYKEDSA-N 170.164 0.098 10 50 ACCA Nc1ccc(CCO)cc1 4013051 QXHDYMUPPXAMPQ-UHFFFAOYSA-N 137.182 0.804 10 50 ACCA in-vitro N[C@H](C(=O)O)c1ccccc1O 6795 LIDYFNYBHXPTJG-ZETCQYMHSA-N 167.164 0.477 10 50 ACCA in-vitro NC(=O)COc1ccc(N)cc1 5589134 COKCPIVADVZEGT-UHFFFAOYSA-N 166.180 0.133 10 50 ACCA in-vitro O=C(O)[C@@H](O)Cc1ccc(O)c(O)c1 895534 PAFLSMZLRSPALU-QMMMGPOBSA-N 198.174 0.086 10 50 ACCA endogenous,in-man CS(=O)(=O)Cc1ccc(N)cc1 38063854 HUBANRZFRGDOJQ-UHFFFAOYSA-N 185.248 0.813 10 50 ACCA in-vitro