smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CC(C)(C)Oc1cc(B(O)O)ccn1 198083897 PZWAXBMABYFYCL-UHFFFAOYSA-N 195.027 -0.061 50 50 ABGA ClCc1nnn[nH]1 16123934 AGWSISOYPHROLN-UHFFFAOYSA-N 118.527 -0.062 50 50 ABGA in-vitro CCOc1ccc(B(O)O)cc1F 169745324 ZONJMULNQBNBGU-UHFFFAOYSA-N 183.975 -0.096 50 50 ABGA in-vitro COC(=O)[C@@H](Cl)C=O 100165148 LXSUVYGZODASAI-VKHMYHEASA-N 136.534 -0.034 50 50 ABGA in-vitro O=C(c1cccc(B(O)O)c1)C1CC1 169978140 WFAARFODOMXRPX-UHFFFAOYSA-N 190.007 -0.041 50 50 ABGA Cn1ccc2cc(B(O)O)cnc21 203702362 DTLXTFZIXQWPCL-UHFFFAOYSA-N 175.984 -0.747 50 50 ABGA O=CC1=CNCC[C@@H]1C(=O)O 1772717598 PEWSGGLOWFRDLJ-LURJTMIESA-N 155.153 -0.237 50 50 ABGA OCc1ccc2[nH]c(B(O)O)cc2c1 606241605 CUZBLUNWUSGGAF-UHFFFAOYSA-N 190.995 -0.660 50 50 ABGA Cc1cc(C=O)c(B(O)O)s1 199477116 PTEVJUMNVGSFFN-UHFFFAOYSA-N 169.998 -0.451 50 50 ABGA Cc1cscc1B(O)O 169747118 LVPFZXKLROORIK-UHFFFAOYSA-N 141.988 -0.264 50 50 ABGA in-vitro O=Cc1cc(B(O)O)c(F)cc1F 307339787 WSZIQXVKISUBRY-UHFFFAOYSA-N 185.922 -0.543 50 50 ABGA N#Cc1ccc(B(O)O)c(Cl)c1 169746588 MSCQYLAIRMCGGF-UHFFFAOYSA-N 181.387 -0.109 50 50 ABGA OB(O)C1=CCC=C1 202179414 URMAJYBSLILATE-UHFFFAOYSA-N 109.921 -0.115 50 50 ABGA OB(O)c1ccnc(F)c1Cl 169744914 VYHSSQRGIWMXJE-UHFFFAOYSA-N 175.355 -0.446 50 50 ABGA Cc1cc(C)n(CC(=O)NN)n1 337956 CIUXPFMOQYTDKY-UHFFFAOYSA-N 168.200 -0.510 50 50 ABGA in-vitro CCn1cc(C(=O)NN)cn1 2549419 SNZPIIOFDLASCV-UHFFFAOYSA-N 154.173 -0.494 50 50 ABGA in-vitro COc1cccc(B(O)O)c1O 169794556 BTYZWLYIOSFCJX-UHFFFAOYSA-N 167.957 -0.919 50 50 ABGA OB(O)c1cccc2c1CCO2 170022885 YTIFKTBEXYOQOC-UHFFFAOYSA-N 163.969 -0.699 50 50 ABGA CCOCc1ccc(B(O)O)cc1 169794729 DGUPNEQXGIBFDX-UHFFFAOYSA-N 180.012 -0.097 50 50 ABGA in-vitro CC(C)Cn1nccc1B(O)O 169951730 BWVFMCUVLDWEDN-UHFFFAOYSA-N 168.005 -0.781 50 50 ABGA in-vitro COc1nccc(B(O)O)c1Cl 169743655 YQNAXOGPSUVHNU-UHFFFAOYSA-N 187.391 -0.577 50 50 ABGA OB(O)c1ccc(O)cc1F 169748054 RARYKHVUFJIGKT-UHFFFAOYSA-N 155.921 -0.789 50 50 ABGA OB(O)c1cccc2cc[nH]c12 169903351 HABOMNOJYJNVHE-UHFFFAOYSA-N 160.969 -0.152 50 50 ABGA O=C(O)c1sccc1B(O)O 169748223 AJNCKPIBBSWSBY-UHFFFAOYSA-N 171.970 -0.874 50 50 ABGA in-vitro Cc1cc(OC(C)C)ncc1B(O)O 169995066 IIKDFLHYLHDMHY-UHFFFAOYSA-N 195.027 -0.143 50 50 ABGA Cc1c(F)ccc(F)c1B(O)O 238488320 UZQGKRUEUBRDFE-UHFFFAOYSA-N 171.939 -0.047 50 50 ABGA CN1CCC(C(=O)NN)CC1 6437968 YZQKKXPYOIDSJJ-UHFFFAOYSA-N 157.217 -0.682 50 50 ABGA in-vitro CC(=O)N1CC(=O)C(C#N)=C1N 39071686 KBOYVYHUXWWGOH-UHFFFAOYSA-N 165.152 -0.889 50 50 ABGA in-vitro N#Cc1ccc(Cl)c(B(O)O)c1 169747951 YNZXUVCJPQNYHR-UHFFFAOYSA-N 181.387 -0.109 50 50 ABGA OB(O)c1cccc(F)c1O 169748146 UOYUUFBFEICSRZ-UHFFFAOYSA-N 155.921 -0.789 50 50 ABGA COc1ccnc(Cl)c1B(O)O 169903864 VTXXPXWIOKBFMA-UHFFFAOYSA-N 187.391 -0.577 50 50 ABGA O=S1(=O)C[C@H](O)[C@H](Cl)C1 1083869 OIPVZGSYIJYEGU-DMTCNVIQSA-N 170.617 -0.617 50 50 ABGA in-vitro O=Cc1ccccc1B(O)O 169743254 DGUWACLYDSWXRZ-UHFFFAOYSA-N 149.942 -0.821 50 50 ABGA in-vitro CCOc1ccc(C=O)c(B(O)O)c1 169978163 WZXOCGHYGPWDRF-UHFFFAOYSA-N 193.995 -0.422 50 50 ABGA O=C1OC(=O)c2nccnc21 8100990 AWJWCTOOIBYHON-UHFFFAOYSA-N 150.093 -0.213 50 50 ABGA in-vitro CN(C)C(=O)c1ccc(B(O)O)cc1 169743665 QJYYVSIRDJVQJW-UHFFFAOYSA-N 193.011 -0.932 50 50 ABGA in-vitro OB(O)c1c(F)c(F)cc(F)c1F 169747043 SORPNEUIIZJCBF-UHFFFAOYSA-N 193.892 -0.077 50 50 ABGA in-vitro N#Cc1ccc(F)cc1B(O)O 169988640 CAMKHMHTUOCLPU-UHFFFAOYSA-N 164.932 -0.623 50 50 ABGA CC(=O)c1csc(B(O)O)c1 169746337 XKYSXWBDDIMHQE-UHFFFAOYSA-N 169.998 -0.370 50 50 ABGA in-vitro COc1ccnc(C(=O)NN)c1 4352705 YKICRDCJQXTGMJ-UHFFFAOYSA-N 167.168 -0.306 50 50 ABGA in-vitro CCOC(=O)/C(C#N)=C/NC(N)=O 15809735 OYNQLVPJARAAPD-SNAWJCMRSA-N 183.167 -0.375 50 50 ABGA NC(=O)c1ccc(B(O)O)cc1Cl 169745454 ZARZNNIZDSRQFA-UHFFFAOYSA-N 199.402 -0.881 50 50 ABGA in-vitro COC(=O)[C@H]1CCC(NNC(C)=O)=N1 38761886 RDLWRHCMDGVJDP-ZCFIWIBFSA-N 199.210 -0.639 50 50 ABGA COC(=O)c1c(F)cccc1B(O)O 169748231 YYMZEXVUWASNEC-UHFFFAOYSA-N 197.958 -0.708 50 50 ABGA N#CCc1cc(F)cc(B(O)O)c1 170000939 GUYJMBDNASHBAR-UHFFFAOYSA-N 178.959 -0.428 50 50 ABGA O=C(CCl)NCNC(=O)CCl 1675022 UCVQTDPRVDFFJQ-UHFFFAOYSA-N 199.037 -0.346 50 50 ABGA NNC(=O)[C@@H]1CCCOC1 39064525 OBOQJPQGKZQKEM-RXMQYKEDSA-N 144.174 -0.597 50 50 ABGA in-vitro CCOc1ccc(B(O)O)cn1 169743662 UONCERAQKBPLML-UHFFFAOYSA-N 166.973 -0.840 50 50 ABGA in-vitro Nc1cc(F)c(F)cc1B(O)O 169746333 YDTCINIFZJCMSN-UHFFFAOYSA-N 172.927 -0.773 50 50 ABGA in-vitro Cc1cccc(B(O)O)c1O 169794560 UQMOSSMYPIJNTO-UHFFFAOYSA-N 151.958 -0.620 50 50 ABGA CN(C)c1cccc(B(O)O)c1 169745780 YZQQHZXHCXAJAV-UHFFFAOYSA-N 165.001 -0.568 50 50 ABGA in-vitro NCc1ccc(C(=O)NN)cc1 162389 ORDGVWFOWIEHDB-UHFFFAOYSA-N 165.196 -0.251 50 50 ABGA OB(O)c1c(O)cccc1Cl 169746605 HPTKHPAGOMESFW-UHFFFAOYSA-N 172.376 -0.275 50 50 ABGA in-vitro CN[C@@H](C)c1ccc(B(O)O)s1 238328768 SFSTYAZJZBSQEI-YFKPBYRVSA-N 185.057 -0.292 50 50 ABGA NNC(=O)Cn1nnc2ccccc21 5520332 RIQGVMRDCPCXJJ-UHFFFAOYSA-N 191.194 -0.579 50 50 ABGA CCC(=O)c1ccc(B(O)O)cc1 169806832 SUXBGJJJOLDLKL-UHFFFAOYSA-N 177.996 -0.041 50 50 ABGA in-vitro Nc1cc(Cl)ccc1B(O)O 169984276 DZHUKKXYYYMRGI-UHFFFAOYSA-N 171.392 -0.398 50 50 ABGA OB(O)c1cc(F)c(F)c(F)c1F 169747049 GXGSBMNUHWAXHP-UHFFFAOYSA-N 193.892 -0.077 50 50 ABGA NNC(=O)[C@H]1CCCO1 5848779 LLGRORFWHFVNIK-SCSAIBSYSA-N 130.147 -0.845 50 50 ABGA in-vitro C/C=N/NC(N)=O 5412901 IUNNCDSJWDQYPW-GORDUTHDSA-N 101.109 -0.340 50 50 ABGA NNC(=O)c1cn[nH]c1 36778321 NRSROFSJAIJRAN-UHFFFAOYSA-N 126.119 -0.987 50 50 ABGA in-vitro OB(O)c1ccc(F)cc1F 169743238 QQLRSCZSKQTFGY-UHFFFAOYSA-N 157.912 -0.355 50 50 ABGA in-vitro CC(C)(C)Oc1cccc(B(O)O)n1 169968693 HJLLSKFZQODXFO-UHFFFAOYSA-N 195.027 -0.061 50 50 ABGA Cc1nc2cc(B(O)O)ccc2[nH]1 238493363 FZIFUKQWKWRSER-UHFFFAOYSA-N 175.984 -0.449 50 50 ABGA O=C1OC(=O)[C@H]2[C@@H]3CC[C@@H](O3)[C@@H]12 8195636 JAABVEXCGCXWRR-FBXFSONDSA-N 168.148 -0.137 50 50 ABGA in-vivo N#C[C@]1(O)CN2CCC1CC2 34689288 BEDKJKABPPDZNB-QMMMGPOBSA-N 152.197 -0.033 50 50 ABGA in-vitro Cc1c(F)cccc1B(O)O 169745520 NYBIUWJUWTUGFV-UHFFFAOYSA-N 153.949 -0.186 50 50 ABGA OB(O)c1ccc(C2CC2)nc1 169747521 XVOVUSAFYKSLMU-UHFFFAOYSA-N 162.985 -0.361 50 50 ABGA in-vitro C#Cc1cccc(B(O)O)c1 169807630 RYWSMYJBXIZVRL-UHFFFAOYSA-N 145.954 -0.652 50 50 ABGA in-vitro CCc1cncc(B(O)O)c1 169746128 ZTBRRDJHPKCUIG-UHFFFAOYSA-N 150.974 -0.676 50 50 ABGA Cc1ccnc(B(O)O)c1 169794574 CGRJYCBMVWNLPD-UHFFFAOYSA-N 136.947 -0.930 50 50 ABGA in-vitro OB(O)c1ccc2c(c1)NCC2 169983550 AKTWHCRFKCLLCJ-UHFFFAOYSA-N 162.985 -0.666 50 50 ABGA in-vitro COCCC(=O)NN 2511078 HTNUUDFQRYBJPH-UHFFFAOYSA-N 118.136 -0.987 50 50 ABGA COC(=O)[C@@H](Cl)CO 12359450 IPNQALYYANAHGS-VKHMYHEASA-N 138.550 -0.241 50 50 ABGA Cn1c(CCl)n[nH]c1=O 143022015 FFJXSRWDORQRPQ-UHFFFAOYSA-N 147.565 -0.153 50 50 ABGA in-vitro COc1ccc(F)cc1B(O)O 169743396 CCQKIRUMTHHPSX-UHFFFAOYSA-N 169.948 -0.486 50 50 ABGA Cn1cccc1C(=O)NN 168233 JPZLSTHDNAMYND-UHFFFAOYSA-N 139.158 -0.371 50 50 ABGA in-vitro CC(=O)OCc1ccc(B(O)O)cc1 169745166 FPQABEOUQSYDPY-UHFFFAOYSA-N 193.995 -0.571 50 50 ABGA in-vitro OB(O)c1ccc(Cl)c(O)c1F 169955492 CYFLEBLGQHFBBB-UHFFFAOYSA-N 190.366 -0.136 50 50 ABGA in-vitro OB(O)c1cncc2[nH]ccc12 170016954 SAVDQQWZBYXDJN-UHFFFAOYSA-N 161.957 -0.757 50 50 ABGA in-vitro C/C(=N\O)c1ccc(B(O)O)cc1 230544911 IXSCFSAPALJOFA-UXBLZVDNSA-N 178.984 -0.435 50 50 ABGA OB(O)c1cnc2[nH]ccc2c1F 224725291 OGCGNGUVMZIRGX-UHFFFAOYSA-N 179.947 -0.618 50 50 ABGA in-vitro COCc1cc(OC)ccc1B(O)O 169986230 FXLRYELPUQTVJS-UHFFFAOYSA-N 196.011 -0.479 50 50 ABGA COC1(OC)CC(C(=O)NN)C1 306677696 ZOAHHDMHCCTJEJ-UHFFFAOYSA-N 174.200 -0.625 50 50 ABGA OB(O)c1cccc(OC(F)F)c1 169747391 FGQKXEUNYFZVMW-UHFFFAOYSA-N 187.938 -0.032 50 50 ABGA in-vitro Cc1cc(B(O)O)sc1C=O 169744850 QEIXJCOHLUKRPO-UHFFFAOYSA-N 169.998 -0.451 50 50 ABGA in-vitro COc1ncc(B(O)O)cc1Cl 169747908 LOLPLMDQLOJSDH-UHFFFAOYSA-N 187.391 -0.577 50 50 ABGA in-vitro CCCOc1ncccc1B(O)O 169935022 DDCHOASBQZMXFI-UHFFFAOYSA-N 181.000 -0.450 50 50 ABGA in-vitro Cn1nc(C(F)(F)F)cc1B(O)O 169743756 XPUNXPPXMANQGF-UHFFFAOYSA-N 193.921 -0.881 50 50 ABGA in-vitro N#Cc1ccc(B(O)O)c([N+](=O)[O-])c1 169745334 YDIOTBNYNPBRFF-UHFFFAOYSA-N 191.939 -0.854 50 50 ABGA in-vitro CC(C)(C)c1ncc(B(O)O)cn1 199025663 JPQQDGTWWIVYLY-UHFFFAOYSA-N 180.016 -0.546 50 50 ABGA OB(O)c1cc(F)c(F)cc1F 169743389 KCHHKNCSISEAAE-UHFFFAOYSA-N 175.902 -0.216 50 50 ABGA in-vitro CCOc1cccc(B(O)O)c1 169743510 CHCWUTJYLUBETR-UHFFFAOYSA-N 165.985 -0.235 50 50 ABGA in-vitro Cc1ccc(B(O)O)nc1 169745367 VDRIXWWGBDNWCM-UHFFFAOYSA-N 136.947 -0.930 50 50 ABGA in-vitro OB(O)c1ccc(Cl)c(O)c1 169746606 XMMHXKOVZNBHSA-UHFFFAOYSA-N 172.376 -0.275 50 50 ABGA in-vitro COC(=O)Cc1cccc(B(O)O)c1 169904034 PBNUXNCUNUMZFL-UHFFFAOYSA-N 193.995 -0.918 50 50 ABGA in-vitro N#Cc1cccc(B(O)O)c1Cl 238625429 NEEMUTRFSOHDIO-UHFFFAOYSA-N 181.387 -0.109 50 50 ABGA CC(=O)N/C(=C(\C#N)[N+](=O)[O-])N(C)C 22017146 NMJAJNUKOOAENR-SREVYHEPSA-N 198.182 -0.347 50 50 ABGA O=C(O)CCc1cccc(B(O)O)c1 169745433 JJBQHOJBARDWRZ-UHFFFAOYSA-N 193.995 -0.616 50 50 ABGA in-vitro CCNCc1ccccc1B(O)O 169907192 UDLJUZUZSKWNDO-UHFFFAOYSA-N 179.028 -0.524 50 50 ABGA O=C1C[C@@H]([C@H]2CC(=O)OC2=O)C(=O)O1 100057369 OLQWMCSSZKNOLQ-ZXZARUISSA-N 198.130 -0.834 50 50 ABGA in-vitro OB(O)c1ccc2c(c1)C=C2 169748072 JQRGWGIIPDTAHD-UHFFFAOYSA-N 145.954 -0.150 50 50 ABGA CCN(C)c1cncc(B(O)O)c1 203613618 DJMOXNKFPKSVNZ-UHFFFAOYSA-N 180.016 -0.783 50 50 ABGA C[C@H](O)c1ccc(B(O)O)cc1 169747168 QORATNLZEOZUPG-LURJTMIESA-N 165.985 -0.580 50 50 ABGA in-vitro CCOc1cc(C=O)ccc1B(O)O 169978108 FXGCOAJUECHWPW-UHFFFAOYSA-N 193.995 -0.422 50 50 ABGA OB(O)c1ccc(OC(F)F)nc1 203681647 KTIBVMWENNLYNX-UHFFFAOYSA-N 188.926 -0.637 50 50 ABGA N#CC1(c2ccc(B(O)O)cc2)CC1 169747401 NOICYZKSQYFZPX-UHFFFAOYSA-N 187.007 -0.078 50 50 ABGA in-vitro COc1cc(B(O)O)cnc1Cl 169956689 OJBRJRLOQQAEOJ-UHFFFAOYSA-N 187.391 -0.577 50 50 ABGA OB(O)c1c(F)ccnc1Cl 206054697 LXUDFEOAGBMKQF-UHFFFAOYSA-N 175.355 -0.446 50 50 ABGA OB(O)c1ccc(Cl)nc1F 169747638 AYPTVURLQVNETR-UHFFFAOYSA-N 175.355 -0.446 50 50 ABGA in-vitro O[C@H]1CN=C(CCl)NC1 238669823 WBXOELDIIZYTEL-UHFFFAOYSA-N 148.593 -0.412 50 50 ABGA O=S1(=O)CC2(OCCO2)[C@@H]1Cl 1711563 CGRRWZRRCXRXOC-SCSAIBSYSA-N 198.627 -0.277 50 50 ABGA O=C(O)/C=C/c1ccc(B(O)O)cc1 169745114 IEMLKNHGGSYOMP-ZZXKWVIFSA-N 191.979 -0.536 50 50 ABGA in-vivo C[C@H]1C(=O)OC(=O)N1C 114296119 WTFJJYYGWFKOQH-VKHMYHEASA-N 129.115 -0.017 50 50 ABGA in-vitro OB(O)c1ccc(NC2CC2)cc1 204759529 XYIUBYPCDTWOSG-UHFFFAOYSA-N 177.012 -0.059 50 50 ABGA N#Cc1cc(B(O)O)cs1 238638388 GZCHKOFLMCIZOU-UHFFFAOYSA-N 152.971 -0.700 50 50 ABGA in-vitro O=C(CCl)ON1C(=O)CCC1=O 77285613 OWZGNRBFMASABS-UHFFFAOYSA-N 191.570 -0.168 50 50 ABGA in-vitro Cc1cc(B(O)O)ccc1C=O 169748147 SSVPHQYUDZPVQX-UHFFFAOYSA-N 163.969 -0.513 50 50 ABGA in-vitro CCOc1ncc(B(O)O)cc1F 169916892 SMQWQXHLVIJJQY-UHFFFAOYSA-N 184.963 -0.701 50 50 ABGA in-vitro CCCCOc1cccc(B(O)O)n1 170000774 YVISGPNIEKICNV-UHFFFAOYSA-N 195.027 -0.060 50 50 ABGA Cc1nn(C(C)(C)C)cc1B(O)O 170001087 JEDJBZRBYLNSJR-UHFFFAOYSA-N 182.032 -0.374 50 50 ABGA O=C1NC[C@H](Br)C(=O)N1 1676550 ZCDARRSUPCSLRW-REOHCLBHSA-N 193.000 -0.411 50 50 ABGA O=c1cc(CCl)[nH]c(=O)[nH]1 2008825 VCFXBAPEXBTNEA-UHFFFAOYSA-N 160.560 -0.198 50 50 ABGA in-vitro [C-]#[N+]CC(=O)N(C)C 111471545 YTLIISRHCPJHLB-UHFFFAOYSA-N 112.132 -0.006 50 50 ABGA C[S@](=O)c1ccc(B(O)O)cc1 169747021 YOTGALZTDVXUKZ-LBPRGKRZSA-N 184.025 -0.896 50 50 ABGA in-vitro NNC(=O)c1cccc(N)c1 45732 JSIVTKBYJLGBPY-UHFFFAOYSA-N 151.169 -0.128 50 50 ABGA in-vitro O=[N+]([O-])c1ccc(B(O)O)cc1F 169964797 SZTLZSMYZKFFRK-UHFFFAOYSA-N 184.919 -0.586 50 50 ABGA in-vitro CO[Si](COC(C)=O)(OC)OC 197564333 IJQHYEFNLXHUGV-UHFFFAOYSA-N 194.259 -0.033 50 50 ABGA OB(O)c1ccc(Cl)cn1 169744835 JEGHCYRKSUGHJH-UHFFFAOYSA-N 157.365 -0.585 50 50 ABGA in-vitro OB(O)c1c(F)ccc2n[nH]cc12 575631070 PTLQAKBNORQWKL-UHFFFAOYSA-N 179.947 -0.618 50 50 ABGA Cc1ccc(C)c(B(O)O)c1 169743246 OOMZKLJLVGQZGV-UHFFFAOYSA-N 149.986 -0.017 50 50 ABGA COc1cc(B(O)O)ccc1C=O 169746735 LZVMUJGTTXMMTE-UHFFFAOYSA-N 179.968 -0.813 50 50 ABGA in-vitro O=P(O)(O)OOP(=O)(O)O 263584250 NUGJFLYPGQISPX-UHFFFAOYSA-N 193.972 -0.880 50 50 ABGA in-vitro O=C(O)[C@H](Cl)CO 75521310 GAHMZBZGINHHJR-UWTATZPHSA-N 124.523 -0.329 50 50 ABGA OB(O)c1ccc(N2CCCC2)nc1 169748351 XRIDMVCUHIKAFT-UHFFFAOYSA-N 192.027 -0.638 50 50 ABGA in-vitro O=Cc1cscc1B(O)O 169858321 LVLCWVAVXNPOFF-UHFFFAOYSA-N 155.971 -0.760 50 50 ABGA in-vitro N#C[C@H]1C[C@H]1B(O)O 238609333 BRTNEZBYVMDLQU-QWWZWVQMSA-N 110.909 -0.627 50 50 ABGA O/N=C/c1ccc(B(O)O)cc1 169748195 BHSGANPJSINVBL-WEVVVXLNSA-N 164.957 -0.826 50 50 ABGA in-vitro C[Si](C)(C)c1coc(B(O)O)c1 208341212 SERWSHIRWAPHQR-UHFFFAOYSA-N 184.076 -0.495 50 50 ABGA O=c1[nH]nc(CCl)[nH]1 26894078 ZLRBJVJEQXBAAI-UHFFFAOYSA-N 133.538 -0.163 50 50 ABGA OB(O)c1cc(O)ccc1F 169746179 XXJIHTFTQPUJFM-UHFFFAOYSA-N 155.921 -0.789 50 50 ABGA in-vitro O=C1OCc2ccc(B(O)O)cc21 238647822 BQBFEWGYJYIVJN-UHFFFAOYSA-N 177.952 -0.963 50 50 ABGA N[C@H]1CS(=O)(=O)C[C@H]1Cl 34738841 COPRYPAOGCTLCJ-DMTCNVIQSA-N 169.633 -0.651 50 50 ABGA in-vitro Cc1cc(C=O)sc1B(O)O 169746668 LGUPYAAIBNFFDA-UHFFFAOYSA-N 169.998 -0.451 50 50 ABGA CC(=O)c1ccc(B(O)O)s1 169743359 DCNMATSPQKWETQ-UHFFFAOYSA-N 169.998 -0.370 50 50 ABGA in-vitro CNc1ccccc1B(O)O 199200962 XSZUHKRFUPVGIM-UHFFFAOYSA-N 150.974 -0.592 50 50 ABGA CC(C)(CN)c1ccc(B(O)O)cc1 169746210 AHWDUUFCLSBVSV-UHFFFAOYSA-N 193.055 -0.397 50 50 ABGA in-vitro COc1nc(Cl)ccc1B(O)O 169747445 QMTFZVCHSRMZJW-UHFFFAOYSA-N 187.391 -0.577 50 50 ABGA Cc1nccc(B(O)O)c1Cl 206059354 CQVFRLDBSXKHMU-UHFFFAOYSA-N 171.392 -0.277 50 50 ABGA OB(O)c1ccc2c(c1)OCO2 169743266 CMHPUBKZZPSUIQ-UHFFFAOYSA-N 165.941 -0.905 50 50 ABGA in-vitro Cc1ccccc1B(O)O 169743151 NSJVYHOPHZMZPN-UHFFFAOYSA-N 135.959 -0.325 50 50 ABGA in-vitro Cc1cc(C)c(B(O)O)cn1 195756882 RKHAMMYSSVBPFN-UHFFFAOYSA-N 150.974 -0.622 50 50 ABGA Cc1c(N)cccc1B(O)O 200990377 JDTIGLTXSGPNFH-UHFFFAOYSA-N 150.974 -0.743 50 50 ABGA O=C=N[C@H]1CCS(=O)(=O)C1 3866001 URFQKKJWHVHXSO-YFKPBYRVSA-N 161.182 -0.491 50 50 ABGA in-vitro N#CSNC(=N)N 14989407 FZPKSSRLAIBRQA-UHFFFAOYSA-N 116.149 -0.401 50 50 ABGA COC(=O)[C@H](O)CCl 39320104 PKYMVZYRXABHDE-GSVOUGTGSA-N 138.550 -0.241 50 50 ABGA CCC(=O)NNC(=O)c1cc(C)n[nH]1 5817533 XQCXSZMNZPPQEF-UHFFFAOYSA-N 196.210 -0.111 50 50 ABGA CCOC(=O)C/C(N)=N/NC(C)=O 137398262 KLOICOSVXPGKCC-UHFFFAOYSA-N 187.199 -0.652 50 50 ABGA N#CCc1cccc(B(O)O)c1 169743982 JFMYJQMAPRBDFF-UHFFFAOYSA-N 160.969 -0.568 50 50 ABGA in-vitro Cc1nn(C)c2cc(B(O)O)ccc12 169810351 FOUSXGGKIFZVIQ-UHFFFAOYSA-N 190.011 -0.438 50 50 ABGA in-vitro Cc1cnn(CCC(=O)NN)c1 2507799 BVSUTTBCURSYRG-UHFFFAOYSA-N 168.200 -0.428 50 50 ABGA OB(O)c1ccnc(Cl)c1F 169747599 ZXGCWGYBIXCFMP-UHFFFAOYSA-N 175.355 -0.446 50 50 ABGA Cc1c(N)cc(Cl)cc1B(O)O 170002712 CRQJHRDJMULJOM-UHFFFAOYSA-N 185.419 -0.090 50 50 ABGA Cc1c(O)cccc1B(O)O 203537634 FOGKAKXPNOXDAM-UHFFFAOYSA-N 151.958 -0.620 50 50 ABGA O=Cc1sccc1B(O)O 169743424 BBENFHSYKBYWJX-UHFFFAOYSA-N 155.971 -0.760 50 50 ABGA in-vitro COc1ccc(B(O)O)c(OC)c1 169746453 SQTUYFKNCCBFRR-UHFFFAOYSA-N 181.984 -0.616 50 50 ABGA Cc1cccc(B(O)O)n1 169747400 XHSGIZRXEBIOFC-UHFFFAOYSA-N 136.947 -0.930 50 50 ABGA in-vitro Cc1cc(F)c(F)c(B(O)O)c1 199825559 MGDSXIJVCPGALL-UHFFFAOYSA-N 171.939 -0.047 50 50 ABGA COC(=O)c1ccc(F)cc1B(O)O 169745524 CHDCMVDJRAQCTJ-UHFFFAOYSA-N 197.958 -0.708 50 50 ABGA OB(O)c1ccnc2ccccc12 169747414 KATIRQRAVXTBNY-UHFFFAOYSA-N 172.980 -0.085 50 50 ABGA NC(=O)c1cc(B(O)O)ccc1Cl 169743978 PHYINASSDCHPRG-UHFFFAOYSA-N 199.402 -0.881 50 50 ABGA in-vitro COc1ccc(B(O)O)c(OC)c1C 195918880 GANVGNZHKDWRKN-UHFFFAOYSA-N 196.011 -0.308 50 50 ABGA CC(=O)N(N)C1CC1 757131343 JSSYIDGIVOHMFY-UHFFFAOYSA-N 114.148 -0.129 50 50 ABGA N#CCOc1cccc(B(O)O)c1 169743463 QEXGRJBUDVWWSC-UHFFFAOYSA-N 176.968 -0.731 50 50 ABGA in-vitro OB(O)c1ccccc1S 169745906 RADLTTWFPYPHIV-UHFFFAOYSA-N 153.999 -0.345 50 50 ABGA COc1ncc(B(O)O)cc1C 169747986 QXCAEPGEVCYRJO-UHFFFAOYSA-N 166.973 -0.922 50 50 ABGA in-vitro CCn1cnc2cc(B(O)O)ccc21 170000977 AKLWXFSUGCBRFR-UHFFFAOYSA-N 190.011 -0.264 50 50 ABGA OB(O)c1cccc(F)c1F 169743237 SZYXKFKWFYUOGZ-UHFFFAOYSA-N 157.912 -0.355 50 50 ABGA C[S@](=O)c1ccccc1B(O)O 169745711 PHORKVSBWZGTEX-LBPRGKRZSA-N 184.025 -0.896 50 50 ABGA in-vitro COc1cc(F)c(F)cc1B(O)O 169745921 ISQCHQGYKNHYGP-UHFFFAOYSA-N 187.938 -0.347 50 50 ABGA in-vitro COc1ncc(Cl)cc1B(O)O 169747755 BZJQXIUWWLFBJS-UHFFFAOYSA-N 187.391 -0.577 50 50 ABGA in-vitro Cc1c(F)cc(C(=O)O)cc1B(O)O 169990023 KLHYMSYPRCYQQZ-UHFFFAOYSA-N 197.958 -0.488 50 50 ABGA in-vitro COc1ccc(C)cc1B(O)O 169745071 CSVKZOZMPSRLTC-UHFFFAOYSA-N 165.985 -0.317 50 50 ABGA in-vitro Cn1ncc2cc(B(O)O)ccc21 169746968 FPZFXDGMBDJLHR-UHFFFAOYSA-N 175.984 -0.747 50 50 ABGA in-vitro COCOc1cccc(B(O)O)c1F 169951587 GSUWCWYAKUTVER-UHFFFAOYSA-N 199.974 -0.512 50 50 ABGA NNC(=O)c1cccnc1 152498 KFUSANSHCADHNJ-UHFFFAOYSA-N 137.142 -0.315 50 50 ABGA in-vitro OCc1ccc(B(O)O)cc1Cl 169977542 GPDIABAAAASRGZ-UHFFFAOYSA-N 186.403 -0.488 50 50 ABGA in-vitro Cc1nn(C)c(C(=O)NN)c1Cl 2576737 JZTBRQZNXALQSP-UHFFFAOYSA-N 188.618 -0.015 50 50 ABGA N#Cc1cc(F)cc(B(O)O)c1 169743458 DLYWCECHXBOCAS-UHFFFAOYSA-N 164.932 -0.623 50 50 ABGA in-vitro COc1ccc(O)cc1B(O)O 169855848 RVGRDJBWONYWOO-UHFFFAOYSA-N 167.957 -0.919 50 50 ABGA CC#Cc1ccc(F)c(B(O)O)c1 200994450 QPNPEUUFFPBEMD-UHFFFAOYSA-N 177.971 -0.123 50 50 ABGA O=Cc1cccc(F)c1B(O)O 169806905 KVLSAVAVMYTPAR-UHFFFAOYSA-N 167.932 -0.682 50 50 ABGA Cc1nn(C)c2c(B(O)O)cccc12 169810284 FNYYEXREWPLXSW-UHFFFAOYSA-N 190.011 -0.438 50 50 ABGA Cn1ccc2cccc(B(O)O)c21 169955622 QDSZQBBGYYIBAE-UHFFFAOYSA-N 174.996 -0.142 50 50 ABGA in-vitro N#CCO 70667160 LTYRAPJYLUPLCI-UHFFFAOYSA-N 57.052 -0.498 50 50 ABGA COc1ccc([C@H](C)O)c(B(O)O)c1 169794737 QURCMQMWZAMRLY-LURJTMIESA-N 196.011 -0.572 50 50 ABGA Cc1cc(O)ccc1B(O)O 169745080 OYIYNIONWDBJIF-UHFFFAOYSA-N 151.958 -0.620 50 50 ABGA COc1cccc(C(=O)NN)n1 4352711 GMZSCQXNOIDMCL-UHFFFAOYSA-N 167.168 -0.306 50 50 ABGA in-vitro O=Cc1ccc(Cl)c(B(O)O)c1 169748065 BGTXLDYEFFSFNR-UHFFFAOYSA-N 184.387 -0.168 50 50 ABGA CCCOc1ccc(B(O)O)cn1 169904568 CJLTUVAWEWYGJU-UHFFFAOYSA-N 181.000 -0.450 50 50 ABGA in-vitro CCOc1ncc(B(O)O)cc1C 169794717 SFGDPXBBFQWHEF-UHFFFAOYSA-N 181.000 -0.531 50 50 ABGA O=C1OC(=O)[C@@H]2[C@H]1[C@@H]1CC[C@H]2O1 15450003 JAABVEXCGCXWRR-GUCUJZIJSA-N 168.148 -0.137 50 50 ABGA OB(O)c1cccc(O)c1 169743259 WFWQWTPAPNEOFE-UHFFFAOYSA-N 137.931 -0.928 50 50 ABGA in-vitro O=C(O)CNC(=O)CCl 1236711 DLDTUYIGYMNERN-UHFFFAOYSA-N 151.549 -0.574 50 50 ABGA in-vitro N#Cc1cnc(Cl)c(B(O)O)c1 169745353 JOXTUWQJEBJZEK-UHFFFAOYSA-N 182.375 -0.714 50 50 ABGA in-vitro CCOc1cccc(B(O)O)c1F 169747918 DCUXBPVUKGENEJ-UHFFFAOYSA-N 183.975 -0.096 50 50 ABGA O=P1(O)OOO1 953126655 JMOLIBDMMGWYOR-UHFFFAOYSA-N 111.977 -0.020 50 50 ABGA CC(=O)c1cccc(B(O)O)c1F 169877257 SEMRLZGDJZRZMC-UHFFFAOYSA-N 181.959 -0.292 50 50 ABGA CN(C)c1cc(B(O)O)ccc1C#N 170001246 WSBDMULHRGRPKW-UHFFFAOYSA-N 190.011 -0.696 50 50 ABGA COc1ccc(B(O)O)c([N+](=O)[O-])c1 169808856 PFTLRSTZYYFBNF-UHFFFAOYSA-N 196.955 -0.717 50 50 ABGA in-vitro O=Cc1ccc(F)c(B(O)O)c1F 169747949 GLQAPMRINNTHGJ-UHFFFAOYSA-N 185.922 -0.543 50 50 ABGA in-vitro C=CCOc1cccc(B(O)O)c1 169922525 YUJCSDZSQSVVBO-UHFFFAOYSA-N 177.996 -0.069 50 50 ABGA in-vitro CN1CC=C(B(O)O)CC1 199613562 PEAKMPWXINHZSO-UHFFFAOYSA-N 140.979 -0.740 50 50 ABGA COc1cc(B(O)O)cc([N+](=O)[O-])c1 206079413 UJCMFDRIXZUKRI-UHFFFAOYSA-N 196.955 -0.717 50 50 ABGA NNC(=O)c1ccc(O)c(O)c1 156565 WGXWEXNJRZMIPT-UHFFFAOYSA-N 168.152 -0.299 50 50 ABGA in-vitro CCOC(=O)c1cccc(B(O)O)c1 169743250 REHVCPNQQBDOJJ-UHFFFAOYSA-N 193.995 -0.457 50 50 ABGA in-vivo O=Cc1ccc(B(O)O)c(Cl)c1 169746729 TYNMABPNFSBKDN-UHFFFAOYSA-N 184.387 -0.168 50 50 ABGA in-vitro CCOc1cc(C)ncc1B(O)O 230545634 VWIQEKCLRYHZJW-UHFFFAOYSA-N 181.000 -0.531 50 50 ABGA N#Cc1c(Cl)cccc1B(O)O 169746589 NVFNOKJQOOUGTR-UHFFFAOYSA-N 181.387 -0.109 50 50 ABGA Cc1ccc(B(O)O)c2nsnc12 170000860 RSHGLQALJQXBEI-UHFFFAOYSA-N 194.024 -0.320 50 50 ABGA NC(=O)C[C@@H](Br)C(=O)O 71773300 VOHGVHFOVIFUSA-UWTATZPHSA-N 196.000 -0.290 50 50 ABGA Cc1cc(C(=O)NN)nn1C 115494 RIBLRIOBFLNYKG-UHFFFAOYSA-N 154.173 -0.668 50 50 ABGA in-vitro Cc1ccc(B(O)O)c(C)c1 169746838 TYONHSPZXLFWKI-UHFFFAOYSA-N 149.986 -0.017 50 50 ABGA Cc1nn(C)c2cccc(B(O)O)c12 169809967 OTVAPXDGNGQWPU-UHFFFAOYSA-N 190.011 -0.438 50 50 ABGA COc1cccc(OC)c1B(O)O 169743242 BKWVXPCYDRURMK-UHFFFAOYSA-N 181.984 -0.616 50 50 ABGA in-vitro CC[S@@](=O)c1cccc(B(O)O)c1 169746511 DHBFKULBTXMUOK-CYBMUJFWSA-N 198.052 -0.506 50 50 ABGA CCOc1cncc(C)c1B(O)O 169969388 SOCQJHGXIZPKGR-UHFFFAOYSA-N 181.000 -0.531 50 50 ABGA COc1ccc(B(O)O)c(C)n1 169743486 CWXWIICBKIHZFC-UHFFFAOYSA-N 166.973 -0.922 50 50 ABGA in-vitro COc1cc(C)cc(B(O)O)c1F 169955447 OTXTXRTWSHJYDV-UHFFFAOYSA-N 183.975 -0.177 50 50 ABGA O=CC1=CN[C@H](C(=O)O)CC1 1772716277 DUFXWDSBRWQOPY-LURJTMIESA-N 155.153 -0.094 50 50 ABGA Cc1ccccc1NC(=O)C(=O)NN 4201775 WKMHUPQXRYLZLJ-UHFFFAOYSA-N 193.206 -0.077 50 50 ABGA C[S@@](=O)c1cccc(B(O)O)c1 169794542 XYLPYIANRLXCDW-GFCCVEGCSA-N 184.025 -0.896 50 50 ABGA in-vitro C[Si](N=C=O)(N=C=O)N=C=O 195754542 DFJSZWHUOKADCX-UHFFFAOYSA-N 169.172 -0.438 50 50 ABGA in-vitro OCc1c(F)cc(B(O)O)cc1F 169748211 ZAVFFEDOMNZWQE-UHFFFAOYSA-N 187.938 -0.863 50 50 ABGA in-vitro Cc1ocnc1C(=O)NN 38522651 LORNCPMVORWVFB-UHFFFAOYSA-N 141.130 -0.413 50 50 ABGA in-vitro CCc1ncccc1B(O)O 169747668 XHYBEDDNBACEEH-UHFFFAOYSA-N 150.974 -0.676 50 50 ABGA in-vitro OB(O)c1ccn2nccc2c1 198961821 QOQVVOKEUDGBGD-UHFFFAOYSA-N 161.957 -0.986 50 50 ABGA NNC(=O)c1cc(O)ccc1O 1602347 BLXGSJAZCDGAEF-UHFFFAOYSA-N 168.152 -0.299 50 50 ABGA in-vitro OB(O)c1cnc2[nH]ccc2c1 169903441 KCHKRCSVKZQYCA-UHFFFAOYSA-N 161.957 -0.757 50 50 ABGA in-vitro N#CCc1ccc(B(O)O)c(F)c1 170000854 KUIFTFYKRXCAMW-UHFFFAOYSA-N 178.959 -0.428 50 50 ABGA Cc1ccc(B(O)O)c(C(=O)O)c1 170010740 IDVNPWBUHQBSRI-UHFFFAOYSA-N 179.968 -0.627 50 50 ABGA CCOC(=O)/C(C#N)=C(/N)CC(N)=O 24737616 IIBDMGZNIZKUMU-AATRIKPKSA-N 197.194 -0.839 50 50 ABGA OB(O)c1ccc(S)cc1 169744831 AUVSUPMVIZXUOG-UHFFFAOYSA-N 153.999 -0.345 50 50 ABGA in-vitro NNC(=O)C(=O)NCc1ccccc1 3163375 MZKBYAOYXSBMSZ-UHFFFAOYSA-N 193.206 -0.707 50 50 ABGA CCOCc1ccccc1B(O)O 169743925 SVBVDEHEAYWGFP-UHFFFAOYSA-N 180.012 -0.097 50 50 ABGA in-vitro CC(C)n1nccc1B(O)O 169950162 RWQOGZHKBNANKP-UHFFFAOYSA-N 153.978 -0.856 50 50 ABGA in-vitro O=C(O)/C=C\c1cccc(B(O)O)c1 195813977 QCHIEOGZUMAQKI-PLNGDYQASA-N 191.979 -0.536 50 50 ABGA COCCOc1ccc(B(O)O)cc1 169744803 ODKMFCPXFMQWHA-UHFFFAOYSA-N 196.011 -0.608 50 50 ABGA in-vitro OB(O)c1c(F)ccc(F)c1F 169747869 IWPDDRPLEKURGG-UHFFFAOYSA-N 175.902 -0.216 50 50 ABGA in-vitro Cc1ccc(F)c(B(O)O)c1F 169934801 LYEXPRVYGCOGMB-UHFFFAOYSA-N 171.939 -0.047 50 50 ABGA Cc1cc2cn[nH]c2cc1B(O)O 169945583 FVSYCXICBAFOGW-UHFFFAOYSA-N 175.984 -0.449 50 50 ABGA in-vitro OB(O)c1cccc2ncccc12 169747039 NWIJBOCPTGHGIK-UHFFFAOYSA-N 172.980 -0.085 50 50 ABGA in-vitro NNC(=O)CCn1cccn1 34925223 XNZLTYISUNMPET-UHFFFAOYSA-N 154.173 -0.737 50 50 ABGA in-vitro COC(=O)/C(C#N)=C1/C=CC(N)=CN1 100202701 FPOVKEKSIIZTOQ-FPLPWBNLSA-N 191.190 -0.103 50 50 ABGA COCC(=O)N(N)CC(F)(F)F 757129670 ZDRQEMPKVYJHKF-UHFFFAOYSA-N 186.133 -0.103 50 50 ABGA CCOCCC(=O)NN 12137045 NMNHXPQJISZDMF-UHFFFAOYSA-N 132.163 -0.597 50 50 ABGA OB(O)c1cnc(Cl)c(F)c1 169810482 NWEKVQKALFWZHQ-UHFFFAOYSA-N 175.355 -0.446 50 50 ABGA C#Cc1ccccc1B(O)O 199020917 SRDKWIRBSWWARM-UHFFFAOYSA-N 145.954 -0.652 50 50 ABGA in-vitro Cc1cccc(C)c1B(O)O 169743247 ZXDTWWZIHJEZOG-UHFFFAOYSA-N 149.986 -0.017 50 50 ABGA COC(=O)Cc1ccc(B(O)O)cc1 169745492 CKXOGMXYISAZGN-UHFFFAOYSA-N 193.995 -0.918 50 50 ABGA in-vitro Cc1cc(F)c(F)cc1B(O)O 169955628 RUSKIGNGLQRANK-UHFFFAOYSA-N 171.939 -0.047 50 50 ABGA C[C@H]1Cc2cc(B(O)O)ccc2O1 169925043 BUNVVERIGKVWLT-LURJTMIESA-N 177.996 -0.310 50 50 ABGA in-vitro CC(C)(C)OC(=O)NNC(=O)CN 1606813 IYNKTQKAGQJMNL-UHFFFAOYSA-N 189.215 -0.499 50 50 ABGA OB(O)c1cccc2[nH]ccc12 169743675 USJUQEVUEBCLLR-UHFFFAOYSA-N 160.969 -0.152 50 50 ABGA in-vitro C#CCN1CC(=O)OC(=O)C1 111217847 BYWKVLVTTLXRBJ-UHFFFAOYSA-N 153.137 -0.995 50 50 ABGA OB(O)C1=CC[C@H](O)CC1 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RLWTZURPSVMYGG-UHFFFAOYSA-N 166.973 -0.922 50 50 ABGA in-vitro NNC(=O)[C@@H]1COc2ccccc2O1 168853 MKOUZUYLZSZHFZ-QMMMGPOBSA-N 194.190 -0.184 50 50 ABGA in-vitro O=Cc1cc(F)c(B(O)O)c(F)c1 169747476 NQBHBNIZBDDDRH-UHFFFAOYSA-N 185.922 -0.543 50 50 ABGA COC(=O)[C@H](Br)CO 77020712 GVXAFLUDYYQGCG-GSVOUGTGSA-N 183.001 -0.085 50 50 ABGA Cc1cc(B(O)O)ncc1F 170000746 DJGKSYCHOPPGKS-UHFFFAOYSA-N 154.937 -0.791 50 50 ABGA C#Cc1ccc(F)cc1B(O)O 1875389797 HYBTWWYRQBOGGU-UHFFFAOYSA-N 163.944 -0.513 50 50 ABGA COC(=O)c1ccc(B(O)O)c(F)c1 169745429 BKWRLCIYMAYFPA-UHFFFAOYSA-N 197.958 -0.708 50 50 ABGA C[C@@H](O)c1ccc(B(O)O)cc1 169747167 QORATNLZEOZUPG-ZCFIWIBFSA-N 165.985 -0.580 50 50 ABGA in-vitro OB(O)c1c(F)ccnc1F 203635293 OURMLNFRGODORQ-UHFFFAOYSA-N 158.900 -0.960 50 50 ABGA CC(=O)c1cccc(B(O)O)c1 169743217 SJGGDZCTGBKBCK-UHFFFAOYSA-N 163.969 -0.431 50 50 ABGA in-vitro CC[S@](=O)c1ccc(B(O)O)cc1 169794545 FBDFYDUHWXNXMJ-ZDUSSCGKSA-N 198.052 -0.506 50 50 ABGA in-vitro Cc1cnc(C)c(B(O)O)c1 169794634 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161.548 -0.093 50 50 ABGA in-vitro CC(C)Oc1ccc(B(O)O)c(F)n1 169934451 HXZSWTOYGXUJDG-UHFFFAOYSA-N 198.990 -0.312 50 50 ABGA COc1ccc2nc(B(O)O)cn2c1 170001025 ZKIYPPQACFLEDT-UHFFFAOYSA-N 191.983 -0.977 50 50 ABGA CN1Cc2cccc(B(O)O)c2C1 238295695 FCRVWXUVXMTXLE-UHFFFAOYSA-N 177.012 -0.688 50 50 ABGA NNC(=O)c1n[nH]c2c1CCC2 266940 SVCCSHLJCQVHGW-UHFFFAOYSA-N 166.184 -0.498 50 50 ABGA CC(C)Oc1cc(B(O)O)ccn1 198950695 KXFOVGZGIPWHTK-UHFFFAOYSA-N 181.000 -0.451 50 50 ABGA CC(C)(C)Oc1ncccc1B(O)O 169747675 HNPJPQRHQRFFOW-UHFFFAOYSA-N 195.027 -0.061 50 50 ABGA in-vitro Cc1c2ccc(B(O)O)cc2nn1C 206022281 FBEURACXBMNIJO-UHFFFAOYSA-N 190.011 -0.438 50 50 ABGA in-vitro N#Cc1ccc(B(O)O)cc1 169743231 CEBAHYWORUOILU-UHFFFAOYSA-N 146.942 -0.762 50 50 ABGA in-vivo Nc1nc2cc(B(O)O)ccc2o1 169992899 JSQIHINVLSYFRO-UHFFFAOYSA-N 177.956 -0.910 50 50 ABGA in-vitro OB(O)c1cccc(C2(O)CCC2)c1 536960161 PFMRYOOBYUZAID-UHFFFAOYSA-N 192.023 -0.262 50 50 ABGA CN(C)Cc1ccc(B(O)O)cc1F 169981489 BZGKUSJVFIQRST-UHFFFAOYSA-N 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Cc1cc(B(O)O)cc(C=O)c1F 169748221 CYTRJUULLDUDAX-UHFFFAOYSA-N 181.959 -0.374 50 50 ABGA CCn1cc2cc(B(O)O)ccc2n1 170001007 JEAFIZVMYCUTCK-UHFFFAOYSA-N 190.011 -0.264 50 50 ABGA Cn1ccc2ncc(B(O)O)cc21 238552371 YOEMYIQRQOQYFE-UHFFFAOYSA-N 175.984 -0.747 50 50 ABGA Cc1cc(B(O)O)c(F)cc1F 169986716 MIRDEWLPPDFBPE-UHFFFAOYSA-N 171.939 -0.047 50 50 ABGA in-vitro C#Cc1cc(F)ccc1B(O)O 1875389830 PZGWJXDYWBFUCB-UHFFFAOYSA-N 163.944 -0.513 50 50 ABGA CCN(N)C(=O)COC(C)=O 757126382 DWLMLKABMFLDHY-UHFFFAOYSA-N 160.173 -0.728 50 50 ABGA Cc1cc(CN)ccc1B(O)O 1772575821 HSGCBEVIVPJCDJ-UHFFFAOYSA-N 165.001 -0.866 50 50 ABGA OB(O)c1ccccc1F 169743253 QCSLIRFWJPOENV-UHFFFAOYSA-N 139.922 -0.495 50 50 ABGA in-vivo COc1cc(C=O)ccc1B(O)O 169747556 PQECZCKVUFXDGP-UHFFFAOYSA-N 179.968 -0.813 50 50 ABGA in-vitro CC(C)(C)n1ccc(B(O)O)n1 170000798 TZQQSGIKOVWYNP-UHFFFAOYSA-N 168.005 -0.682 50 50 ABGA CN(C)Cc1cc(F)cc(B(O)O)c1 211696943 CLEGFWROBYVBFE-UHFFFAOYSA-N 197.018 -0.433 50 50 ABGA NNC(=O)CN1CCCC1 5975876 JPNSPJDRFUHSRZ-UHFFFAOYSA-N 143.190 -0.928 50 50 ABGA in-vitro C[C@@H](CO)NC(=O)CCl 40438556 CHFSJZZCPILTEV-BYPYZUCNSA-N 151.593 -0.278 50 50 ABGA COc1ccc(B(O)O)c(F)c1 169743657 ULUIXJDBPYBAHS-UHFFFAOYSA-N 169.948 -0.486 50 50 ABGA C[C@H](Cl)C(=O)N(C)CCC(N)=O 381925496 PMVWCZACMSDOQC-YFKPBYRVSA-N 192.646 -0.053 50 50 ABGA COC(=O)c1ccsc1B(O)O 199177247 OCLHCOLQTGDYLB-UHFFFAOYSA-N 185.997 -0.786 50 50 ABGA in-vitro O=C1COC(=O)[C@@H]1Cl 100017555 DJEJYZZJYYNADA-GSVOUGTGSA-N 134.518 -0.280 50 50 ABGA in-vitro COc1ccc(B(O)O)c(C)c1 169743393 AMSQNQJCBXQYEX-UHFFFAOYSA-N 165.985 -0.317 50 50 ABGA in-vitro COc1ccsc1B(O)O 169969416 TYUQSAPZLQSKPS-UHFFFAOYSA-N 157.987 -0.564 50 50 ABGA COCC(=O)N(N)C(C)C 757132892 YNRSPZMYHPYEMS-UHFFFAOYSA-N 146.190 -0.257 50 50 ABGA OB(O)c1cnc(F)c(F)c1 169964847 DMQCLRPLFKDGQN-UHFFFAOYSA-N 158.900 -0.960 50 50 ABGA in-vitro CCN(N)C(=O)N(C)C 757127450 KJECSGMYLZBYNN-UHFFFAOYSA-N 131.179 -0.136 50 50 ABGA NNC(=O)c1csnn1 1605005 GBBQRNGEDIWRJI-UHFFFAOYSA-N 144.159 -0.858 50 50 ABGA in-vitro COC(=O)NN 4701685 WFJRIDQGVSJLLH-UHFFFAOYSA-N 90.082 -0.784 50 50 ABGA in-vitro CC[C@H](OC)C(=O)NN 10213293 PFNXROPIDPJCLN-BYPYZUCNSA-N 132.163 -0.599 50 50 ABGA in-vitro C[C@H](C(=O)NN)n1ccnc1 569928 PVXAXHKUVLHXAH-RXMQYKEDSA-N 154.173 -0.566 50 50 ABGA CS(=O)(=O)N1CC(=CC#N)C1 169811066 FGOZHRWKUFMAHD-UHFFFAOYSA-N 172.209 -0.288 50 50 ABGA in-vitro COCc1ccc(B(O)O)cc1F 197329130 PSLUSKRGWJLDQM-UHFFFAOYSA-N 183.975 -0.348 50 50 ABGA O=C(O)[C@@H](O)CCl 4537132 OSLCJYYQMKPZHU-REOHCLBHSA-N 124.523 -0.329 50 50 ABGA in-vitro N#CCNC(=O)CCl 20204145 BLGRCGIMBCJLMZ-UHFFFAOYSA-N 132.550 -0.135 50 50 ABGA in-vitro CCSc1ccc(B(O)O)cn1 169934030 HWWOZVPKBACUKO-UHFFFAOYSA-N 183.041 -0.127 50 50 ABGA in-vitro OB(O)c1ccn([C@@H]2CCCCO2)n1 169989091 SNNIMJJQYZQRCA-QMMMGPOBSA-N 196.015 -0.738 50 50 ABGA CC[S@](=O)c1cccc(B(O)O)c1 169746512 DHBFKULBTXMUOK-ZDUSSCGKSA-N 198.052 -0.506 50 50 ABGA Cc1ccc(CO)cc1B(O)O 169888396 ABMKIRKBSCIMKL-UHFFFAOYSA-N 165.985 -0.833 50 50 ABGA CCOCc1cccc(B(O)O)c1 196955335 DBQGDLDTWVOSCS-UHFFFAOYSA-N 180.012 -0.097 50 50 ABGA OB(O)c1cc2ncccc2s1 219068016 RYEDNHKJOQGXTI-UHFFFAOYSA-N 179.009 -0.024 50 50 ABGA CC(=O)Oc1ccc(B(O)O)cc1 169745570 VILXJXDXZGKJLU-UHFFFAOYSA-N 179.968 -0.708 50 50 ABGA in-vitro CCOc1ccc(C=O)cc1B(O)O 169748172 AKDKQQWBMKEDLW-UHFFFAOYSA-N 193.995 -0.422 50 50 ABGA O=c1[nH]cc(CCl)c(=O)[nH]1 1670523 UCDUBKRXOPMNGH-UHFFFAOYSA-N 160.560 -0.198 50 50 ABGA in-vitro OB(O)c1cc(F)c(F)c(F)c1 169743309 UHDDEIOYXFXNNJ-UHFFFAOYSA-N 175.902 -0.216 50 50 ABGA in-vitro N#Cc1cc(B(O)O)c(F)cc1F 170001037 SSYMGDYGKXHHAD-UHFFFAOYSA-N 182.922 -0.484 50 50 ABGA CCN(C)c1cccc(B(O)O)n1 169968744 PTSLTPQDFFYKEN-UHFFFAOYSA-N 180.016 -0.783 50 50 ABGA O=C(CCl)NCO 1700274 TXNSZCSYBXHETP-UHFFFAOYSA-N 123.539 -0.709 50 50 ABGA NC(=O)N[C@@H](O)C(Cl)Cl 101368964 KUZOPIAUIVRVHX-REOHCLBHSA-N 172.999 -0.223 50 50 ABGA COc1cccc(B(O)O)c1F 169746922 JCKZNMSBFBPDPM-UHFFFAOYSA-N 169.948 -0.486 50 50 ABGA COc1cccc(B(O)O)c1C 169807356 FISOIOAMTHXGEL-UHFFFAOYSA-N 165.985 -0.317 50 50 ABGA COc1cc2cn[nH]c2cc1B(O)O 215977684 GURZLTUJYQZTAS-UHFFFAOYSA-N 191.983 -0.749 50 50 ABGA C#CCNC(=O)CCl 2565077 HXLOGOSOYYXKCZ-UHFFFAOYSA-N 131.562 -0.025 50 50 ABGA CCOc1ccc(B(O)O)c(F)n1 169934435 CUORRLJBARCROY-UHFFFAOYSA-N 184.963 -0.701 50 50 ABGA CC(C)COc1ncccc1B(O)O 169935212 VMPOWUYMVMJUSI-UHFFFAOYSA-N 195.027 -0.204 50 50 ABGA in-vitro Cc1cc(B(O)O)ccc1O 169746698 GZHWHLOMMPXHPW-UHFFFAOYSA-N 151.958 -0.620 50 50 ABGA in-vitro COC(C)(C)CC(=O)NN 230929315 DSGYSRNPYRYLLP-UHFFFAOYSA-N 146.190 -0.209 50 50 ABGA Cc1cccc(NC(=O)C(=O)NN)c1 4201764 NXKYTZKCZIICBM-UHFFFAOYSA-N 193.206 -0.077 50 50 ABGA OB(O)c1ccc2c(c1)OCCCO2 169743687 CSNCBPVLUIFJOS-UHFFFAOYSA-N 193.995 -0.472 50 50 ABGA in-vitro Cc1sccc1B(O)O 169745182 IOZXRAJFXAKLNI-UHFFFAOYSA-N 141.988 -0.264 50 50 ABGA in-vitro OB(O)c1cccc(C(F)(F)F)n1 169933752 MPRJCLNUBHVSPK-UHFFFAOYSA-N 190.917 -0.220 50 50 ABGA in-vitro NNC(=O)c1ccn[nH]1 4243758 VWOQOMNXHWAQMJ-UHFFFAOYSA-N 126.119 -0.987 50 50 ABGA in-vitro Cc1nc(B(O)O)ccc1F 169968836 WDAILCPJIWDYCA-UHFFFAOYSA-N 154.937 -0.791 50 50 ABGA in-vitro C[C@H](O)c1ccc(B(O)O)s1 222203724 FMEUHFOWFKQBKO-BYPYZUCNSA-N 172.014 -0.519 50 50 ABGA NNC(=O)c1ccccc1N 155740 GRWMSCBKWMQPON-UHFFFAOYSA-N 151.169 -0.128 50 50 ABGA in-vitro CCn1cc(C(=O)NN)c(C)n1 34925192 XVABQBAMZSUCNI-UHFFFAOYSA-N 168.200 -0.185 50 50 ABGA in-vitro Cc1c(B(O)O)cccc1[N+](=O)[O-] 169903912 OZOLRGZAVBQRBG-UHFFFAOYSA-N 180.956 -0.417 50 50 ABGA COc1cc(B(O)O)ccc1[N+](=O)[O-] 169964800 JRILQEOSUUIULP-UHFFFAOYSA-N 196.955 -0.717 50 50 ABGA in-vitro Cc1cc(F)cc(B(O)O)c1F 238526688 OIIQESJQMVHGHD-UHFFFAOYSA-N 171.939 -0.047 50 50 ABGA NNC(=O)CN1CCCCC1 15416198 RPFBMWXGJRIJOJ-UHFFFAOYSA-N 157.217 -0.538 50 50 ABGA OB(O)c1cc(F)cc(F)c1F 169747595 IRMUMGKQAXLGHK-UHFFFAOYSA-N 175.902 -0.216 50 50 ABGA in-vitro CCOc1ccc(F)cc1B(O)O 169747930 LOVFKIWGXGWXLN-UHFFFAOYSA-N 183.975 -0.096 50 50 ABGA N#Cc1cc(B(O)O)ccc1Cl 169743454 PRPLADNLEYNYFZ-UHFFFAOYSA-N 181.387 -0.109 50 50 ABGA in-vitro Cn1cc2c(B(O)O)cccc2n1 169810341 KLESGUYTRALUBQ-UHFFFAOYSA-N 175.984 -0.747 50 50 ABGA in-vitro OB(O)c1cccc2c1OCO2 169747939 BEIKNVAUEWMMAZ-UHFFFAOYSA-N 165.941 -0.905 50 50 ABGA NC(=O)N1CCN(CCCl)CC1 24865736 GXGVGDLJJXJKFN-UHFFFAOYSA-N 191.662 -0.079 50 50 ABGA Nc1cc(B(O)O)ccc1F 169743617 SYBMNJPUZMUPGQ-UHFFFAOYSA-N 154.937 -0.912 50 50 ABGA in-vitro CCc1ccc(B(O)O)cn1 169989579 LPXSVMTZVQACFE-UHFFFAOYSA-N 150.974 -0.676 50 50 ABGA CSc1cc(C)c(B(O)O)cn1 169995391 SQGAAWVIWZTDRD-UHFFFAOYSA-N 183.041 -0.208 50 50 ABGA NC(=O)CBr 4262207 JUIKUQOUMZUFQT-UHFFFAOYSA-N 137.964 -0.133 50 50 ABGA CCOc1cccc(F)c1B(O)O 169745180 HJRTVQOQSGKXOM-UHFFFAOYSA-N 183.975 -0.096 50 50 ABGA in-vitro Cc1cc(B(O)O)sc1C(=O)O 170002767 DQUVAGRKPLCMPS-UHFFFAOYSA-N 185.997 -0.565 50 50 ABGA OB(O)c1ccccc1CNC1CC1 203875962 MIDTXMPMOBFVCQ-UHFFFAOYSA-N 191.039 -0.382 50 50 ABGA NCCCSS(=O)(=O)O 31477171 DQYVZPQBQAIGNV-UHFFFAOYSA-N 171.243 -0.129 50 50 ABGA OB(O)c1ccc2c(c1)OCC2 169747286 OQULHKYTKYFWIV-UHFFFAOYSA-N 163.969 -0.699 50 50 ABGA in-vitro O=C1CCC(=O)O1 8681668 RINCXYDBBGOEEQ-UHFFFAOYSA-N 100.073 -0.150 50 50 ABGA endogenous,in-man CCNC(=O)c1ccc(B(O)O)cc1 169745723 DONAYSCOAAAZKS-UHFFFAOYSA-N 193.011 -0.884 50 50 ABGA in-vitro CC(=O)c1ccc(B(O)O)cc1F 169747438 YHEPWJRNHLTYSL-UHFFFAOYSA-N 181.959 -0.292 50 50 ABGA in-vitro CC(C)O[C@@H](C)C(=O)NN 9877316 RQLXDVNOSRDMKY-YFKPBYRVSA-N 146.190 -0.210 50 50 ABGA in-vitro CN1CCN(C(=O)CCl)CC1 19735578 OTHMDVZIZBUTIE-UHFFFAOYSA-N 176.647 -0.001 50 50 ABGA in-vitro Cc1cc(B(O)O)cc2cn[nH]c12 169919214 OASKWOXPDMPOON-UHFFFAOYSA-N 175.984 -0.449 50 50 ABGA in-vitro O[B-](O)(O)c1nccc2ccccc12 208328218 FEXZDLDZXNFRHZ-UHFFFAOYSA-N 189.987 -0.642 50 50 ABGA in-vitro OB(O)c1cccc(OC2CC2)c1 203682856 ZXNZZEIYAXQMJH-UHFFFAOYSA-N 177.996 -0.092 50 50 ABGA Cc1cc(Cl)ncc1B(O)O 169745719 HMDMMWUUIMJRAQ-UHFFFAOYSA-N 171.392 -0.277 50 50 ABGA in-vitro CCOC(=O)c1ccc(B(O)O)cc1 169743306 ZLNFACCFYUFTLD-UHFFFAOYSA-N 193.995 -0.457 50 50 ABGA in-vitro COc1cc(OC)cc(B(O)O)c1 169745424 XUIURRYWQBBCCK-UHFFFAOYSA-N 181.984 -0.616 50 50 ABGA in-vitro COc1ccc(C)c(F)c1B(O)O 169955607 RHODPGLYWAVVBN-UHFFFAOYSA-N 183.975 -0.177 50 50 ABGA in-vitro CCOc1ccc(B(O)O)cc1C#N 201678980 CVNHHTFOFIWGLR-UHFFFAOYSA-N 190.995 -0.363 50 50 ABGA CC(=O)N1CCC(B(O)O)CC1 238148923 ZKAQEETWDPGWMF-UHFFFAOYSA-N 171.005 -0.528 50 50 ABGA Cc1ccn(CC(=O)NN)n1 2549446 FEIAQNUMUGJOSO-UHFFFAOYSA-N 154.173 -0.819 50 50 ABGA Cc1ccc(B(O)O)cc1C=O 169747880 UHPDMPNTUUASKT-UHFFFAOYSA-N 163.969 -0.513 50 50 ABGA NNC(=O)[C@H]1COc2ccccc2O1 168856 MKOUZUYLZSZHFZ-MRVPVSSYSA-N 194.190 -0.184 50 50 ABGA in-vitro CCCCOc1ncccc1B(O)O 169955392 BBNRJMXGAUGFKQ-UHFFFAOYSA-N 195.027 -0.060 50 50 ABGA OB(O)c1ccc(OCCF)cc1 169935263 XNKMLDGLDSQHSH-UHFFFAOYSA-N 183.975 -0.285 50 50 ABGA in-vitro NNC(=O)c1ccc[nH]1 163134 FQIAWPZQJCAPSW-UHFFFAOYSA-N 125.131 -0.382 50 50 ABGA in-vitro COC(=O)[C@H](C)NC(=O)CCl 35044913 JWNMQNKURMACSS-BYPYZUCNSA-N 179.603 -0.097 50 50 ABGA in-vitro C[S@@](=O)c1ccccc1B(O)O 169745710 PHORKVSBWZGTEX-GFCCVEGCSA-N 184.025 -0.896 50 50 ABGA in-vitro O=Cc1ccc(F)c(B(O)O)c1 169744932 SQSWYWCEKCVQEA-UHFFFAOYSA-N 167.932 -0.682 50 50 ABGA CCCOc1ncc(C)cc1B(O)O 169934604 FMUUKBNUYMVOTP-UHFFFAOYSA-N 195.027 -0.141 50 50 ABGA CC(=O)NNC(=O)CCCl 5856136 JKDZJXBFCBFYDD-UHFFFAOYSA-N 164.592 -0.217 50 50 ABGA OB(O)c1ccc(F)c(F)c1 169743241 RMGYQBHKEWWTOY-UHFFFAOYSA-N 157.912 -0.355 50 50 ABGA in-vitro C[C@@H](Cn1cccn1)C(=O)NN 58862898 DHCFRFGJQODJRD-LURJTMIESA-N 168.200 -0.491 50 50 ABGA CC(=O)c1ccccc1B(O)O 169743216 ZKAOVABYLXQUTI-UHFFFAOYSA-N 163.969 -0.431 50 50 ABGA in-vitro O=Cc1cc(F)c(F)cc1B(O)O 169955496 CDZRCFSCIRPYON-UHFFFAOYSA-N 185.922 -0.543 50 50 ABGA NNC(=O)C1CCC1 588318 KYUUPPKLZSVGMG-UHFFFAOYSA-N 114.148 -0.224 50 50 ABGA in-vitro Cc1nc(C)n(C[C@@H](C)C(=O)NN)n1 32498269 RHDMJCXDWVTEKA-RXMQYKEDSA-N 197.242 -0.479 50 50 ABGA Cc1ccc(B(O)O)cn1 169744818 MZUSCPDSQJSBSY-UHFFFAOYSA-N 136.947 -0.930 50 50 ABGA in-vitro CCc1ccccc1B(O)O 169746934 QSSPYZOSTJDTTL-UHFFFAOYSA-N 149.986 -0.071 50 50 ABGA in-vitro OB(O)c1cccn2nccc12 1775954830 NKHNOUDDYAQYDP-UHFFFAOYSA-N 161.957 -0.986 50 50 ABGA CS(=O)(=O)S 72400422 FHBSGPWHCCIQPG-UHFFFAOYSA-N 112.175 -0.124 50 50 ABGA in-vitro COc1c(C)ccc(B(O)O)c1F 203881447 GLPFHUUBGLZPDI-UHFFFAOYSA-N 183.975 -0.177 50 50 ABGA N#C[C@@H]1C[C@H]1B(O)O 238609749 BRTNEZBYVMDLQU-IUYQGCFVSA-N 110.909 -0.627 50 50 ABGA Cc1cccc(B(O)O)c1C(=O)O 170010731 UWDANHVJSDNNET-UHFFFAOYSA-N 179.968 -0.627 50 50 ABGA CN(C)Cc1ccccc1B(O)O 169743244 VUDCTLOJEPCNRS-UHFFFAOYSA-N 179.028 -0.572 50 50 ABGA in-vitro COCOc1ccc(F)cc1B(O)O 169747924 AMHIODVERFMLIU-UHFFFAOYSA-N 199.974 -0.512 50 50 ABGA COc1ccc(C(C)=O)cc1B(O)O 169748107 SNANZDYRDLEHPZ-UHFFFAOYSA-N 193.995 -0.422 50 50 ABGA OB(O)c1ccc2n[nH]c(Cl)c2c1 209833805 XAOGRKMZCGEIFA-UHFFFAOYSA-N 196.402 -0.104 50 50 ABGA CC1(C(=O)NN)COC1 307005373 FEKXKBWXZOUFMN-UHFFFAOYSA-N 130.147 -0.987 50 50 ABGA OB(O)c1cc(F)cc(F)c1O 169746433 DMZXNOGEVAESIC-UHFFFAOYSA-N 173.911 -0.650 50 50 ABGA in-vitro O=C(O)CC1=CC(=O)OC1=O 44460375 GVJRTUUUJYMTNQ-UHFFFAOYSA-N 156.093 -0.529 50 50 ABGA in-vitro OB(O)c1ccc2nscc2c1 169747430 HQNQYXUHTJKKPM-UHFFFAOYSA-N 179.009 -0.024 50 50 ABGA COc1nc(C(C)C)ccc1B(O)O 169748036 VUIJGYPRRJGNPI-UHFFFAOYSA-N 195.027 -0.107 50 50 ABGA C[C@@H](Cl)C(=O)N(C)CCC(N)=O 381925492 PMVWCZACMSDOQC-RXMQYKEDSA-N 192.646 -0.053 50 50 ABGA O=C1OC(=O)[C@@H]2[C@H]1[C@H]1CC[C@H]2O1 100057105 JAABVEXCGCXWRR-KAZBKCHUSA-N 168.148 -0.137 50 50 ABGA endogenous,in-vivo OB(O)c1ccccc1OC(F)F 169747157 HTVPSERVQUKECA-UHFFFAOYSA-N 187.938 -0.032 50 50 ABGA NNC(=O)[C@@H](O)c1ccccc1 115130 FWTGUGVETHVGTL-ZETCQYMHSA-N 166.180 -0.290 50 50 ABGA in-vitro CC(=O)Nc1ccc(B(O)O)cc1 169743300 VYEWTHXZHHATTA-UHFFFAOYSA-N 178.984 -0.675 50 50 ABGA in-vitro Cc1ccc(O)c(B(O)O)c1 169748199 OJSKCZZLOSEKPH-UHFFFAOYSA-N 151.958 -0.620 50 50 ABGA COC/C(N)=C\C#N 147077209 SLWICPDSMMOWGC-GORDUTHDSA-N 112.132 -0.001 50 50 ABGA CC(=O)NNC(=O)c1ccncc1 254441 CVBGNAKQQUWBQV-UHFFFAOYSA-N 179.179 -0.138 50 50 ABGA endogenous,world CC(=O)N1CCC[C@H](C(=O)NN)C1 29866048 YMBNGADTTDLKJH-ZETCQYMHSA-N 185.227 -0.765 50 50 ABGA in-vitro OB(O)c1ccc(C2(O)CC2)cc1 200994493 BTPVGADBNJZEHG-UHFFFAOYSA-N 177.996 -0.652 50 50 ABGA Cc1cc(B(O)O)c2nccn2c1 170000875 NPLUGDYYJAMHJO-UHFFFAOYSA-N 175.984 -0.677 50 50 ABGA CC(=O)NNC(=O)c1ccccn1 980 FDJAMXYLIRPRIS-UHFFFAOYSA-N 179.179 -0.138 50 50 ABGA NNC(=O)Cc1cccc(O)c1 42417775 SFKMWAWFJGJIOA-UHFFFAOYSA-N 166.180 -0.075 50 50 ABGA N#C/C=C/c1ccccc1B(O)O 169745462 IBOPZLYQFBLSRH-HWKANZROSA-N 172.980 -0.097 50 50 ABGA CC(=O)c1sccc1B(O)O 169748095 QTGPYSQUEPGBHV-UHFFFAOYSA-N 169.998 -0.370 50 50 ABGA in-vitro C[C@@H](N)c1ccc(B(O)O)cc1 211128778 UIXPMHMTFHKXEY-ZCFIWIBFSA-N 165.001 -0.614 50 50 ABGA Cc1cc(B(O)O)cc(OC(C)C)n1 228984117 XCJDJTCEYMABBP-UHFFFAOYSA-N 195.027 -0.143 50 50 ABGA COC(=O)C(C#N)=C1OCCO1 141159042 RYSQZTWXZAZOHZ-UHFFFAOYSA-N 169.136 -0.059 50 50 ABGA COc1csc(B(O)O)c1 170002750 CUAGIWSIHSSBRU-UHFFFAOYSA-N 157.987 -0.564 50 50 ABGA Cc1ccc(O)c(B(O)O)c1F 216707948 BSBYPAUPNICLEQ-UHFFFAOYSA-N 169.948 -0.480 50 50 ABGA CCC(=O)NN 1646460 DXGIRFAFSFKYCF-UHFFFAOYSA-N 88.110 -0.614 50 50 ABGA in-vitro Cc1c(B(O)O)ccc2[nH]ncc12 169745706 IZIRYCSGUBTOOF-UHFFFAOYSA-N 175.984 -0.449 50 50 ABGA in-vitro O=C(O)c1cccc(B(O)O)c1F 169744650 DLSFOCMCMFDBOG-UHFFFAOYSA-N 183.931 -0.796 50 50 ABGA COc1cc(F)c(B(O)O)cc1F 169747060 BRMUXDWCSVTVPQ-UHFFFAOYSA-N 187.938 -0.347 50 50 ABGA Cc1c(C(=O)NN)cnn1C 2568973 GDRWITBMTJYLTA-UHFFFAOYSA-N 154.173 -0.668 50 50 ABGA in-vitro O=C(O)c1ccsc1B(O)O 169743803 CGKJHZDZZNMEAP-UHFFFAOYSA-N 171.970 -0.874 50 50 ABGA in-vitro Cc1ccn([C@@H](C)C(=O)NN)n1 2731930 JSANMJHDZZLMHH-LURJTMIESA-N 168.200 -0.258 50 50 ABGA in-vitro Cc1nc2cc(B(O)O)ccc2o1 170019542 YFPFSHFWNVZLJZ-UHFFFAOYSA-N 176.968 -0.184 50 50 ABGA C[C@@H](O)C(=O)N/N=C/c1ccncc1 438445 PDRRGPSDWYJKEY-PKTIUJEHSA-N 193.206 -0.088 50 50 ABGA COCOc1cccc(B(O)O)c1 169747895 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HMEWBULOTJOSEI-ZCFIWIBFSA-N 165.985 -0.580 50 50 ABGA OB(O)c1c(O)ccc(F)c1F 195786985 KOWZIVQZEGPNSW-UHFFFAOYSA-N 173.911 -0.650 50 50 ABGA Cc1cccc(F)c1B(O)O 169746533 UGGFAYXDRNOISZ-UHFFFAOYSA-N 153.949 -0.186 50 50 ABGA in-vitro COCC(=O)N(N)c1ncccn1 757129627 XZESIUFNXCRHDG-UHFFFAOYSA-N 182.183 -0.670 50 50 ABGA NNC(=O)c1cnccn1 500059 OHFIJHDYYOCZME-UHFFFAOYSA-N 138.130 -0.920 50 50 ABGA in-vitro NC[C@@H](O)CCl 5131931 CYJBWQFWXJKKMS-VKHMYHEASA-N 109.556 -0.455 50 50 ABGA in-vitro Cc1cc(B(O)O)c2nnc(C)n2c1 170001262 NUGURNBPXDWUEY-UHFFFAOYSA-N 190.999 -0.974 50 50 ABGA N#C/C(=C/O)C(N)=O 83428818 GOHUWTBTRCXSIW-IHWYPQMZSA-N 112.088 -0.563 50 50 ABGA COC(=O)c1cc(B(O)O)ccc1C 169746748 CDWTTYCJDYKRNE-UHFFFAOYSA-N 193.995 -0.539 50 50 ABGA in-vitro OB(O)c1cc2[nH]ncc2cc1F 169945696 DLZXQAWSJNFDIC-UHFFFAOYSA-N 179.947 -0.618 50 50 ABGA in-vitro CCOC(=O)N[N+](=O)[O-] 2032486 YSJKYAHYBFJVKV-UHFFFAOYSA-N 134.091 -0.076 50 50 ABGA O=Cc1cc(F)ccc1B(O)O 169806907 QWUBOCQWTPCPNE-UHFFFAOYSA-N 167.932 -0.682 50 50 ABGA Cc1cc(C)cc(B(O)O)c1 169743249 DJGHSJBYKIQHIK-UHFFFAOYSA-N 149.986 -0.017 50 50 ABGA in-vitro CC(C)(C)Oc1cncc(B(O)O)c1 238121569 OCKBXRCPRCFFKO-UHFFFAOYSA-N 195.027 -0.061 50 50 ABGA CNCc1ccccc1B(O)O 169907187 UJIXFCWSLWIWBC-UHFFFAOYSA-N 165.001 -0.914 50 50 ABGA C=CCOc1ccccc1B(O)O 169922437 IUALPRJAXOAGOF-UHFFFAOYSA-N 177.996 -0.069 50 50 ABGA in-vitro O=[N+]([O-])c1cccc(B(O)O)c1 169743203 ZNRGSYUVFVNSAW-UHFFFAOYSA-N 166.929 -0.725 50 50 ABGA in-vivo N#C[C@H]1C[C@@H]1B(O)O 238610546 BRTNEZBYVMDLQU-DMTCNVIQSA-N 110.909 -0.627 50 50 ABGA CCCN(N)C(=O)COC 757132916 YSSDKNUXSFJQMP-UHFFFAOYSA-N 146.190 -0.255 50 50 ABGA OB(O)c1ccc(Cl)cc1O 169988632 XBNRJKSGOLRSRX-UHFFFAOYSA-N 172.376 -0.275 50 50 ABGA O=C1COC(=O)[C@H]1Cl 100017553 DJEJYZZJYYNADA-VKHMYHEASA-N 134.518 -0.280 50 50 ABGA in-vitro OB(O)c1cncc2ccccc12 169743742 GDTOUTKTCGPAGY-UHFFFAOYSA-N 172.980 -0.085 50 50 ABGA in-vitro Cc1ccc(B(O)O)cc1C(=O)O 169748089 YFXACZJIMXASRO-UHFFFAOYSA-N 179.968 -0.627 50 50 ABGA in-vitro NNC(=O)c1ccnn1C(F)F 2534210 SIBJVTGMNWBTNS-UHFFFAOYSA-N 176.126 -0.118 50 50 ABGA COC(=O)N(N)c1ncccn1 757129376 WKUUCZLKFAOGTK-UHFFFAOYSA-N 168.156 -0.077 50 50 ABGA Cc1cccc(B(O)O)c1F 169747916 VEHQHYJZLSODOU-UHFFFAOYSA-N 153.949 -0.186 50 50 ABGA N#C[C@@]1(O)CN2CCC1CC2 34689289 BEDKJKABPPDZNB-MRVPVSSYSA-N 152.197 -0.033 50 50 ABGA in-vitro CO[C@H]1CN[C@@H](Cl)N(C)C1=O 97758588 WQILCLPMKFDDSH-UJURSFKZSA-N 178.619 -0.415 50 50 ABGA COC(=O)c1cc(C)ccc1B(O)O 169935145 VGWIKSSTFJNMNF-UHFFFAOYSA-N 193.995 -0.539 50 50 ABGA Cc1cn2cc(B(O)O)ccc2n1 220853336 VUUPLVFPKSXZMN-UHFFFAOYSA-N 175.984 -0.677 50 50 ABGA CNC(=O)CCl 1576991 HOZLOOPIXHWKCI-UHFFFAOYSA-N 107.540 -0.029 50 50 ABGA OB(O)c1cnc2ccccc2c1 169743304 YGDICLRMNDWZAK-UHFFFAOYSA-N 172.980 -0.085 50 50 ABGA in-vitro O/N=C/c1cccc(B(O)O)c1 169748216 MAJVYIIPEHMBDV-WEVVVXLNSA-N 164.957 -0.826 50 50 ABGA in-vitro O=Cc1cc(Cl)cc(B(O)O)c1 169917430 AIHAWPBOAVSYOE-UHFFFAOYSA-N 184.387 -0.168 50 50 ABGA in-vitro COc1cccc2[nH]c(B(O)O)cc12 169935247 QTZVMSHMJGFXQZ-UHFFFAOYSA-N 190.995 -0.144 50 50 ABGA in-vitro CCOc1cc(B(O)O)ccc1OC 169746501 QQECMULEKNGSEB-UHFFFAOYSA-N 196.011 -0.226 50 50 ABGA in-vitro Cc1ccc(C(=O)O)cc1B(O)O 169747604 OEGYTHZGLBLPCE-UHFFFAOYSA-N 179.968 -0.627 50 50 ABGA COc1cccc(B(O)O)c1C(=O)O 169934367 FANBEBZGFTYXKE-UHFFFAOYSA-N 195.967 -0.927 50 50 ABGA CC(=O)c1ccc(B(O)O)c(C)c1 169951697 UMMXHEAOPLVLKG-UHFFFAOYSA-N 177.996 -0.123 50 50 ABGA CCOc1cc(F)cc(B(O)O)c1 169745310 OVVBLFYHZAMJIK-UHFFFAOYSA-N 183.975 -0.096 50 50 ABGA in-vitro COc1ccc([N+](=O)[O-])cc1B(O)O 169747328 CCKCSFVTRYBXAW-UHFFFAOYSA-N 196.955 -0.717 50 50 ABGA OB(O)c1ccnc(C(F)(F)F)c1 169747605 PHLLTVDZCKUNJN-UHFFFAOYSA-N 190.917 -0.220 50 50 ABGA NNC(=O)[C@H](O)c1ccccc1 115134 FWTGUGVETHVGTL-SSDOTTSWSA-N 166.180 -0.290 50 50 ABGA in-vitro CCCN(N)C(=O)COC(C)=O 757132874 YIAFGTXJIXEIRV-UHFFFAOYSA-N 174.200 -0.338 50 50 ABGA OB(O)c1ccc2[nH]ccc2c1 169743260 VHADYSUJZAPXOW-UHFFFAOYSA-N 160.969 -0.152 50 50 ABGA in-vitro CC(=O)c1ccc(F)c(B(O)O)c1 169747630 FQVNUEBNRAIKBR-UHFFFAOYSA-N 181.959 -0.292 50 50 ABGA CCCOc1cccc(B(O)O)n1 169968850 XXYWGWJXKVWRCW-UHFFFAOYSA-N 181.000 -0.450 50 50 ABGA NNC(=O)CCn1ccnc1 569921 QNLSZBNWUHUATF-UHFFFAOYSA-N 154.173 -0.737 50 50 ABGA COCc1cc(F)cc(B(O)O)c1 211638550 OSQWRRSQPUBHPF-UHFFFAOYSA-N 183.975 -0.348 50 50 ABGA Cc1ccc(B(O)O)c(OC(C)C)n1 1772572576 OTBQOEUVZNLZMA-UHFFFAOYSA-N 195.027 -0.143 50 50 ABGA OCCNCCCl 1698832 DKOGEYINHLFAEA-UHFFFAOYSA-N 123.583 -0.193 50 50 ABGA in-vitro O=[N+]([O-])c1ccc(B(O)O)cc1 169743514 NSFJAFZHYOAMHL-UHFFFAOYSA-N 166.929 -0.725 50 50 ABGA in-vivo Cc1cc2nccn2cc1B(O)O 169794705 OXZNXDWFAPHHTC-UHFFFAOYSA-N 175.984 -0.677 50 50 ABGA in-vitro COc1c(F)ccc(C)c1B(O)O 170000810 MPKQDORJVMLYSF-UHFFFAOYSA-N 183.975 -0.177 50 50 ABGA COc1cc(F)cc(B(O)O)c1 169745533 MQFKLCWETPKBCH-UHFFFAOYSA-N 169.948 -0.486 50 50 ABGA in-vitro Cc1ccc2[nH]ncc2c1B(O)O 169745724 HRURFOBSNYPWDM-UHFFFAOYSA-N 175.984 -0.449 50 50 ABGA in-vitro Cc1cncc(B(O)O)c1C 195756881 WXAUYJWRTPXNNH-UHFFFAOYSA-N 150.974 -0.622 50 50 ABGA CC(=O)N1CCC[C@H]1B(O)O 169746340 WTJDJKWJLYRNPJ-LURJTMIESA-N 156.978 -0.991 50 50 ABGA O=C(CO)N/N=C/c1cccc(O)c1 22018810 XDYVAZDULTZTBD-BJMVGYQFSA-N 194.190 -0.165 50 50 ABGA COc1cc(C(=O)O)ccc1B(O)O 169748037 ITWXOEQLYFYTJX-UHFFFAOYSA-N 195.967 -0.927 50 50 ABGA CC/C=C/B(O)O 196687315 KKDBUAXGGKQJNY-ONEGZZNKSA-N 99.926 -0.035 50 50 ABGA in-vitro COC(=O)[C@@H](N)CCl 22001996 KHUDJGGFFNDILT-VKHMYHEASA-N 137.566 -0.275 50 50 ABGA in-vitro Cc1c2cccc(B(O)O)c2nn1C 206023770 HDQPHXLDAYNJDB-UHFFFAOYSA-N 190.011 -0.438 50 50 ABGA CN(C)Cc1cc(B(O)O)ccc1F 170001129 DOELLJCGVGGUBJ-UHFFFAOYSA-N 197.018 -0.433 50 50 ABGA N#Cc1cc(F)c(B(O)O)cc1F 198947635 UQMRRVKHBGKIAF-UHFFFAOYSA-N 182.922 -0.484 50 50 ABGA COC(=O)/C(C)=N/NC(N)=O 205592804 NDYVECFGOZSICG-XVNBXDOJSA-N 159.145 -0.796 50 50 ABGA NNC(=O)c1ccc(C(N)=O)cc1 2564289 DEDIISHJHWEMEA-UHFFFAOYSA-N 179.179 -0.611 50 50 ABGA in-vitro O=C1CC(c2ccc(B(O)O)cc2)C1 169807352 BYPKMPFUDVBYQU-UHFFFAOYSA-N 190.007 -0.187 50 50 ABGA CCOc1nccc(C)c1B(O)O 169969047 RXEMDUDOXFSVOJ-UHFFFAOYSA-N 181.000 -0.531 50 50 ABGA Cc1ccc(C=O)c(B(O)O)c1 169747917 MMKCZTKFYDEERR-UHFFFAOYSA-N 163.969 -0.513 50 50 ABGA NN(C(=O)N1CCOCC1)C1CC1 757132836 XZFKWCZEZKBBFW-UHFFFAOYSA-N 185.227 -0.223 50 50 ABGA Cc1cc(B(O)O)sc1C#N 169794569 GTCXNUVYZCKGCH-UHFFFAOYSA-N 166.998 -0.392 50 50 ABGA in-vitro OB(O)c1cc(O)nc2ccccc12 238619538 FRABUTDAQKEBBJ-UHFFFAOYSA-N 188.979 -0.380 50 50 ABGA COC(=O)c1cc(B(O)O)ccc1F 169745132 GQBWFAIHGHHNMM-UHFFFAOYSA-N 197.958 -0.708 50 50 ABGA in-vitro Cc1cc(B(O)O)cc(Cl)n1 169955484 OUDHMBLTDQMBOV-UHFFFAOYSA-N 171.392 -0.277 50 50 ABGA in-vitro NNC(=O)[C@H]1CCN1C1CCCC1 521399629 YIXHQBJWVOUPBQ-MRVPVSSYSA-N 183.255 -0.007 50 50 ABGA OB(O)c1cncc(C#CC2CC2)c1 169990137 ZSAAVBWXCOPIJO-UHFFFAOYSA-N 187.007 -0.477 50 50 ABGA in-vitro O=C=N[C@H]1C=CS(=O)(=O)C1 3865997 VKJXCKZNXWROIV-YFKPBYRVSA-N 159.166 -0.367 50 50 ABGA COCc1ccc(B(O)O)cc1 169744782 VTNVZXAYRMTKON-UHFFFAOYSA-N 165.985 -0.487 50 50 ABGA in-vitro Cn1cnc2cccc(B(O)O)c21 170000879 HHGSWYQUFJXPCN-UHFFFAOYSA-N 175.984 -0.747 50 50 ABGA Cc1ccc(C=O)cc1B(O)O 169748033 VBQDWWUYMAWKHV-UHFFFAOYSA-N 163.969 -0.513 50 50 ABGA in-vitro N#CCc1cc(F)ccc1B(O)O 170000931 YCVGQRYRTXPILC-UHFFFAOYSA-N 178.959 -0.428 50 50 ABGA NNC(=O)c1ccccc1CO 164922 PYUGZJQHOZAYRK-UHFFFAOYSA-N 166.180 -0.218 50 50 ABGA in-vitro OB(O)c1cc(F)cnc1F 169747449 FJBXMHAWGCNDTB-UHFFFAOYSA-N 158.900 -0.960 50 50 ABGA in-vitro COC(=O)c1ccc(C)c(B(O)O)c1 169905542 PGNCKSWGMBDXGE-UHFFFAOYSA-N 193.995 -0.539 50 50 ABGA CCn1ncc2cc(B(O)O)ccc21 169992750 MZNBKIHVFSCZLH-UHFFFAOYSA-N 190.011 -0.264 50 50 ABGA O=Cc1cc(F)c(F)c(B(O)O)c1 606241635 LAWQGLUQYKXBMD-UHFFFAOYSA-N 185.922 -0.543 50 50 ABGA Cc1cc(B(O)O)cnc1Cl 169744888 WWOOKOBRTKSRLV-UHFFFAOYSA-N 171.392 -0.277 50 50 ABGA Cc1cc(C(=O)NN)n(C)n1 2578448 JNCYYXYBTYXWKZ-UHFFFAOYSA-N 154.173 -0.668 50 50 ABGA in-vitro NNC(=O)C1CCOCC1 19092256 UBBSHXCLOFHQHW-UHFFFAOYSA-N 144.174 -0.597 50 50 ABGA in-vitro Cc1cc(C=O)cc(B(O)O)c1 169747154 IDXLUNCVVBZUEN-UHFFFAOYSA-N 163.969 -0.513 50 50 ABGA in-vitro Nc1cccc(B(O)O)c1F 197429014 NJQGGKXEPAGSTQ-UHFFFAOYSA-N 154.937 -0.912 50 50 ABGA COc1ccc(B(O)O)c(Cl)n1 169746211 NAVPHGRFAKSAOL-UHFFFAOYSA-N 187.391 -0.577 50 50 ABGA CCc1cccc(B(O)O)c1 169747415 JIMVRUCDZGFJRE-UHFFFAOYSA-N 149.986 -0.071 50 50 ABGA in-vitro CCN(CC)c1ncc(B(O)O)cn1 198949438 PJIPMXYCVBTHQD-UHFFFAOYSA-N 195.031 -0.997 50 50 ABGA OB(O)c1ccc2ncccc2c1 169743435 JLOLSBLXNMVKGY-UHFFFAOYSA-N 172.980 -0.085 50 50 ABGA in-vitro OCCCCB(O)O 198967410 XYBHEWURBREBST-UHFFFAOYSA-N 117.941 -0.768 50 50 ABGA OB(O)c1ccc2c(Cl)[nH]nc2c1 209833755 VTHJCQFPBMACMX-UHFFFAOYSA-N 196.402 -0.104 50 50 ABGA Cc1ncc(C2CC2)cc1B(O)O 238514496 IHKBGRUYHWHVDG-UHFFFAOYSA-N 177.012 -0.053 50 50 ABGA COC(=O)c1ccc(B(O)O)cc1 169744908 PQCXFUXRTRESBD-UHFFFAOYSA-N 179.968 -0.847 50 50 ABGA in-vitro O=C1CNC(=O)O1 8100959 ARAFEULRMHFMDE-UHFFFAOYSA-N 101.061 -0.747 50 50 ABGA CN(C)Cc1cccc(B(O)O)c1 169745763 OFYQEYPITRRCBP-UHFFFAOYSA-N 179.028 -0.572 50 50 ABGA in-vitro Cc1cc(C#N)sc1B(O)O 169993187 JSKHWBGKKFXSFX-UHFFFAOYSA-N 166.998 -0.392 50 50 ABGA in-vitro CN(N=O)C(N)=O 4202501 ZRKWMRDKSOPRRS-UHFFFAOYSA-N 103.081 -0.322 50 50 ABGA in-vitro O=C1OC(=O)[C@H]2C[C@H]12 100004111 ZRMYHUFDVLRYPN-HRFVKAFMSA-N 112.084 -0.294 50 50 ABGA in-vitro CCOc1ccc(B(O)O)cc1C=O 169746733 ODRRAKCLFURNFU-UHFFFAOYSA-N 193.995 -0.422 50 50 ABGA in-vitro Cc1c(F)ccc(B(O)O)c1F 170000778 UEVQAPSBQZFLML-UHFFFAOYSA-N 171.939 -0.047 50 50 ABGA in-vitro N#CCc1ccc(F)c(B(O)O)c1 170000935 YOFODJOCSWZIJB-UHFFFAOYSA-N 178.959 -0.428 50 50 ABGA COC(=O)c1cc(C)cc(B(O)O)c1 169748243 NXVIETJDAUYFAD-UHFFFAOYSA-N 193.995 -0.539 50 50 ABGA in-vitro COCOc1cccc(F)c1B(O)O 170002707 CWOWPSYNIMBYTJ-UHFFFAOYSA-N 199.974 -0.512 50 50 ABGA COc1c(F)cc(B(O)O)cc1F 169747893 JJRIEFCRGWHLES-UHFFFAOYSA-N 187.938 -0.347 50 50 ABGA in-vitro N#Cc1nc(CCl)c[n+]([O-])c1N 119937 MOTPZQHCPMUIMZ-UHFFFAOYSA-N 184.586 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187.938 -0.347 50 50 ABGA O=C(O)c1ccc(B(O)O)cc1F 169743939 CZDWJVSOQOMYGC-UHFFFAOYSA-N 183.931 -0.796 50 50 ABGA COc1ccc(B(O)O)cc1[N+](=O)[O-] 169748058 HAQVJQNWHRUPBH-UHFFFAOYSA-N 196.955 -0.717 50 50 ABGA in-vitro OCc1ccc(Cl)c(B(O)O)c1 169747848 OMQUJFBGPRFTIO-UHFFFAOYSA-N 186.403 -0.488 50 50 ABGA NC(=S)c1ccc(B(O)O)cc1 211653649 BZXPJWPWXCURIQ-UHFFFAOYSA-N 181.025 -0.999 50 50 ABGA NC1(c2ccc(B(O)O)cc2)CC1 169933947 NAUAVKHPAOUUAP-UHFFFAOYSA-N 177.012 -0.686 50 50 ABGA in-vitro COC(=O)N(C)N 1766233 HPCAWBCCCGEMIU-UHFFFAOYSA-N 104.109 -0.442 50 50 ABGA in-vitro COCOc1ccc(F)c(B(O)O)c1 169951584 GMMNEHAUEUPEKF-UHFFFAOYSA-N 199.974 -0.512 50 50 ABGA in-vitro NNC(=O)CCCCCO 1756676 NDXKHTNDCMPVBN-UHFFFAOYSA-N 146.190 -0.471 50 50 ABGA C#CCCCC(=O)NN 137734870 CIWUFLALCXLZMC-UHFFFAOYSA-N 126.159 -0.220 50 50 ABGA OB(O)c1cnn([C@H]2CCCCO2)c1 169933921 BRMZVBYTGLUGDS-MRVPVSSYSA-N 196.015 -0.738 50 50 ABGA in-vitro N#Cc1ccccc1OCC(=O)NN 1500911 HIANUIPKYSYZAG-UHFFFAOYSA-N 191.190 -0.073 50 50 ABGA in-vitro COC(=O)c1cccc(B(O)O)c1F 169744684 ZWNQFICBQZRXEB-UHFFFAOYSA-N 197.958 -0.708 50 50 ABGA OB(O)c1cc(O)cc(F)c1 169745443 RMBFBZIEXCTPDB-UHFFFAOYSA-N 155.921 -0.789 50 50 ABGA in-vitro CCc1ccncc1B(O)O 169889689 SXRPBNQECJWOON-UHFFFAOYSA-N 150.974 -0.676 50 50 ABGA COCCc1ccc(B(O)O)s1 1875389825 OMMCIHPPTPLNMC-UHFFFAOYSA-N 186.041 -0.383 50 50 ABGA CC(=O)Nc1ccccc1B(O)O 169743952 UMOPBIVXPOETPG-UHFFFAOYSA-N 178.984 -0.675 50 50 ABGA in-vitro COCOc1ccc(B(O)O)cc1F 169747888 WTUNKAOADNKCOF-UHFFFAOYSA-N 199.974 -0.512 50 50 ABGA in-vitro CCCC(=O)NN 1608800 FCCCRBDJBTVFSJ-UHFFFAOYSA-N 102.137 -0.224 50 50 ABGA in-vitro N#CC1(c2ccccc2B(O)O)CC1 169951570 LJLHVKBSVFKUBB-UHFFFAOYSA-N 187.007 -0.078 50 50 ABGA O=C1OC(=O)[C@H]2[C@H]3C=C[C@@H](O3)[C@H]12 220936490 QQYNRBAAQFZCLF-ZXXMMSQZSA-N 166.132 -0.361 50 50 ABGA Cc1ccn([C@H](C)C(=O)NN)n1 2549503 JSANMJHDZZLMHH-ZCFIWIBFSA-N 168.200 -0.258 50 50 ABGA in-vitro Cc1cc(B(O)O)cc(C)c1C=O 169748187 HMOKNSHYDFAZAZ-UHFFFAOYSA-N 177.996 -0.204 50 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199.974 -0.477 50 50 ABGA O=Cc1cccc(B(O)O)c1 169743255 HJBGZJMKTOMQRR-UHFFFAOYSA-N 149.942 -0.821 50 50 ABGA OB(O)c1cc(F)cs1 169989171 AECKELOUQSTTIL-UHFFFAOYSA-N 145.951 -0.433 50 50 ABGA COC(=O)[C@@H](C)NC(=O)CCl 38338653 JWNMQNKURMACSS-SCSAIBSYSA-N 179.603 -0.097 50 50 ABGA in-vitro COc1ccc(B(O)O)cc1 169743152 VOAAEKKFGLPLLU-UHFFFAOYSA-N 151.958 -0.625 50 50 ABGA in-vivo OB(O)c1c(F)ccc(O)c1F 169747997 YTKYZCCDBZCCOK-UHFFFAOYSA-N 173.911 -0.650 50 50 ABGA in-vitro Cc1cc(B(O)O)ccc1N(C)C 169809316 HCWIPDGKOJNTJY-UHFFFAOYSA-N 179.028 -0.259 50 50 ABGA NNC(=O)c1ccncc1 1590 QRXWMOHMRWLFEY-UHFFFAOYSA-N 137.142 -0.315 50 50 ABGA fda Cc1ccsc1B(O)O 169745703 MOOOGTOEKZWEJA-UHFFFAOYSA-N 141.988 -0.264 50 50 ABGA in-vitro COCOc1cc(F)ccc1B(O)O 169985287 WQWMJNDHQYSFBY-UHFFFAOYSA-N 199.974 -0.512 50 50 ABGA COC(=O)CCC(=O)NN(C)C 97756702 DMEZXVGCMWUPBA-UHFFFAOYSA-N 174.200 -0.468 50 50 ABGA CC(=O)N1CCC[C@@H]1B(O)O 169746339 WTJDJKWJLYRNPJ-ZCFIWIBFSA-N 156.978 -0.991 50 50 ABGA 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GWCVKWLBDVTRQX-UHFFFAOYSA-N 180.012 -0.406 50 50 ABGA in-vitro Cc1ccc(B(O)O)cc1[N+](=O)[O-] 169746924 OASVXBRTNVFKFS-UHFFFAOYSA-N 180.956 -0.417 50 50 ABGA in-vitro OB(O)c1cc(F)cc(F)c1 169746844 QWQBQRYFWNIDOC-UHFFFAOYSA-N 157.912 -0.355 50 50 ABGA in-vitro Cc1c(Cl)cnc(F)c1B(O)O 169855899 BGCCOWYOBWKPSC-UHFFFAOYSA-N 189.382 -0.138 50 50 ABGA O=C(O)c1cc(B(O)O)cs1 169745712 LISDLMYCEQUKLA-UHFFFAOYSA-N 171.970 -0.874 50 50 ABGA in-vitro COC(OC)c1cccc(B(O)O)n1 169934675 KOOILEZKMARTEI-UHFFFAOYSA-N 196.999 -0.947 50 50 ABGA in-vitro CC(C)c1ccncc1B(O)O 224877231 LJGCSHWXODMAQM-UHFFFAOYSA-N 165.001 -0.115 50 50 ABGA NNC(=O)c1cnc(Cl)cn1 40448525 IBDISQAOUDHXSW-UHFFFAOYSA-N 172.575 -0.267 50 50 ABGA in-vitro OB(O)c1ccc2nccn2c1 169745063 IPJIKGJKMCILGV-UHFFFAOYSA-N 161.957 -0.986 50 50 ABGA COc1c(O)cccc1B(O)O 238435936 VEICWKIRFAADSJ-UHFFFAOYSA-N 167.957 -0.919 50 50 ABGA in-vitro CCOc1ccc(F)c(B(O)O)c1 169748026 ISJGNUFTQTZLEZ-UHFFFAOYSA-N 183.975 -0.096 50 50 ABGA in-vitro Cc1cc(B(O)O)ccc1CO 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171.392 -0.398 50 50 ABGA in-vitro OB(O)c1ccc(C2OCCO2)cc1 223030053 MMXMNBDFQFTNRT-UHFFFAOYSA-N 193.995 -0.588 50 50 ABGA NC(=S)c1ccc(B(O)O)s1 958528046 PCIVHANDZXCTCB-UHFFFAOYSA-N 187.054 -0.938 50 50 ABGA NC(=O)COCCCl 2569977 KQHRCXCLILUNBX-UHFFFAOYSA-N 137.566 -0.273 50 50 ABGA in-vitro COc1cc([N+](=O)[O-])ccc1B(O)O 169913269 FUPWIVCAJNLSGK-UHFFFAOYSA-N 196.955 -0.717 50 50 ABGA CN(C)c1ccc(B(O)O)cc1C#N 170001242 SYQJXRPGAWLFGL-UHFFFAOYSA-N 190.011 -0.696 50 50 ABGA Cc1cc(B(O)O)cc(C)n1 169746030 ALGDKINLACWIRM-UHFFFAOYSA-N 150.974 -0.622 50 50 ABGA O=[N+]([O-])CCc1cccc(B(O)O)c1 169809329 HOZJBURWRYFEIC-UHFFFAOYSA-N 194.983 -0.814 50 50 ABGA in-vitro COc1cc(C)cc(C)c1B(O)O 169747133 UFFAFBPZFGAMJJ-UHFFFAOYSA-N 180.012 -0.008 50 50 ABGA COc1ccc(B(O)O)cc1C=O 169746979 YJQDBKGGRPJSOI-UHFFFAOYSA-N 179.968 -0.813 50 50 ABGA in-vitro OB(O)c1c(F)cncc1F 169858345 AJCALFSHGHOQLL-UHFFFAOYSA-N 158.900 -0.960 50 50 ABGA in-vitro OB(O)c1ccccc1OC1CC1 169994614 VBEGXBKJOHNRNH-UHFFFAOYSA-N 177.996 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in-vitro OB(O)c1ccc2[nH]cnc2c1 169746140 PJLWYAFHMUXYCI-UHFFFAOYSA-N 161.957 -0.757 50 50 ABGA in-vitro OB(O)c1ccc2c(c1F)OCO2 169904633 IIUUBGPDUHFEQA-UHFFFAOYSA-N 183.931 -0.766 50 50 ABGA OB(O)c1cc(Cl)cn2ccnc12 170001294 YVFVIQPBQOLLCX-UHFFFAOYSA-N 196.402 -0.333 50 50 ABGA C=C(CC)B(O)O 195955945 NOXVVARMWGBBSZ-UHFFFAOYSA-N 99.926 -0.035 50 50 ABGA CCCCOc1ccc(B(O)O)cn1 169888349 HSYJYFISWIDAQX-UHFFFAOYSA-N 195.027 -0.060 50 50 ABGA in-vitro O=C(O)CCc1ccccc1B(O)O 170002459 HKXURCOFHUFAMP-UHFFFAOYSA-N 193.995 -0.616 50 50 ABGA in-vitro CCOC(=O)/C=N/NC(=O)N(C)C 5324795 WGRDLLMKOMBUFU-VMPITWQZSA-N 187.199 -0.194 50 50 ABGA NNC(=O)[C@@H]1CCN1C1CCCC1 521399630 YIXHQBJWVOUPBQ-QMMMGPOBSA-N 183.255 -0.007 50 50 ABGA OB(O)c1cnc(C(F)(F)F)nc1 169747538 OEZMIKKBMMAABO-UHFFFAOYSA-N 191.905 -0.825 50 50 ABGA in-vitro Cc1cc(C(=O)NN)on1 39064045 FMMNGIIARGTKKU-UHFFFAOYSA-N 141.130 -0.413 50 50 ABGA in-vitro O=[N+]([O-])/C=C/c1ccc(B(O)O)cc1 169747007 GMEGTAODWQPCOD-AATRIKPKSA-N 192.967 -0.386 50 50 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101021881 IUTCCKBNLGSFGM-WDSKDSINSA-N 184.147 -0.520 50 50 ABGA COC(=O)/C=C/C=O 2556926 CRBJVPSOOMDSPT-NSCUHMNNSA-N 114.100 -0.086 50 50 ABGA in-vitro CCOc1ccc(B(O)O)cc1OC 169746500 CXTNPDZQQOJCFP-UHFFFAOYSA-N 196.011 -0.226 50 50 ABGA in-vitro NC(=O)N[C@H](O)C(Cl)Cl 101368968 KUZOPIAUIVRVHX-UWTATZPHSA-N 172.999 -0.223 50 50 ABGA CCOC(=O)c1ccccc1B(O)O 169743391 QZKVVOXAEBCLPZ-UHFFFAOYSA-N 193.995 -0.457 50 50 ABGA in-vitro ClCCc1nn[nH]n1 1235061 YZQCWPFTAAUGPS-UHFFFAOYSA-N 132.554 -0.019 50 50 ABGA in-vitro Cc1cc(C#N)cc(B(O)O)c1 169995229 HOWMWRQDWIZJNA-UHFFFAOYSA-N 160.969 -0.454 50 50 ABGA in-vitro CCn1cc([N+](=O)[O-])c(C(=O)NN)n1 2568969 YJIARCRRZCGUNL-UHFFFAOYSA-N 199.170 -0.585 50 50 ABGA N#Cc1ccccc1B(O)O 169743283 NPLZNDDFVCGRAG-UHFFFAOYSA-N 146.942 -0.762 50 50 ABGA CCOc1ncc(C)cc1B(O)O 169934753 YABYKZFYIQYKMI-UHFFFAOYSA-N 181.000 -0.531 50 50 ABGA OB(O)c1ccn([C@H]2CCCCO2)n1 169989093 SNNIMJJQYZQRCA-MRVPVSSYSA-N 196.015 -0.738 50 50 ABGA NNC(=O)c1ccc(N)c(N)c1 156533 YGCXQTYRSKMILM-UHFFFAOYSA-N 166.184 -0.546 50 50 ABGA in-vitro OC[C@H](O)CCl 2041174 SSZWWUDQMAHNAQ-GSVOUGTGSA-N 110.540 -0.422 50 50 ABGA endogenous,in-man O=C=N[C@@H]1CCS(=O)(=O)C1 3866000 URFQKKJWHVHXSO-RXMQYKEDSA-N 161.182 -0.491 50 50 ABGA in-vitro O=C1CSCC(=O)O1 8100926 RIIUAPMWDSRBSH-UHFFFAOYSA-N 132.140 -0.197 50 50 ABGA C[C@](O)(C(=O)NN)c1ccccc1 143128223 FFEXJGRBLYVGEB-SECBINFHSA-N 180.207 -0.116 50 50 ABGA CCOc1cc(C=O)cc(B(O)O)c1 169903754 UGWAEFBQEMQRJD-UHFFFAOYSA-N 193.995 -0.422 50 50 ABGA OB(O)c1cc(O)c(F)c(F)c1 169988676 MSOVFNUAYVHDBC-UHFFFAOYSA-N 173.911 -0.650 50 50 ABGA in-vitro NNC(=O)c1ccncn1 6585036 NWTQBXDLKZTWAH-UHFFFAOYSA-N 138.130 -0.920 50 50 ABGA in-vitro CC1(C(=O)NN)CC1 21986622 RJDIBXFCPXYMQK-UHFFFAOYSA-N 114.148 -0.224 50 50 ABGA in-vitro C[C@H](C(=O)NN)N1CCCC1 22538882 QDKJIJTVXUGOPA-ZCFIWIBFSA-N 157.217 -0.539 50 50 ABGA in-vitro CCN(CC)c1ccc(B(O)O)cn1 211335318 LLFCOLBGQLNVQZ-UHFFFAOYSA-N 194.043 -0.392 50 50 ABGA Cn1ccc(C(=O)NN)n1 561301 VHRVJYZZWNADNS-UHFFFAOYSA-N 140.146 -0.976 50 50 ABGA in-vitro OB(O)c1cccnc1Cl 169743474 VRDAOVQZVXYRNH-UHFFFAOYSA-N 157.365 -0.585 50 50 ABGA in-vitro OB(O)c1ccc(OCC2CC2)nc1 169794724 FYVJFCKZJMJNAX-UHFFFAOYSA-N 193.011 -0.450 50 50 ABGA in-vitro O=C(O)c1ccc(B(O)O)c(F)c1 169744623 TVNVDRMGOOLVOX-UHFFFAOYSA-N 183.931 -0.796 50 50 ABGA N[C@@H](CCCCB(O)O)C(=O)O 169946036 HFKKMXCOJQIYAH-YFKPBYRVSA-N 174.993 -0.959 50 50 ABGA in-vitro CNNC(=O)Cc1cc(C)nn1C 1775975133 FDIXBSBQUAXVHI-UHFFFAOYSA-N 182.227 -0.478 50 50 ABGA Cc1cc(F)ccc1B(O)O 169743307 IQMLIVUHMSIOQP-UHFFFAOYSA-N 153.949 -0.186 50 50 ABGA CC(C)B(O)O 169743326 QIPHSSYCQCBJAX-UHFFFAOYSA-N 87.915 -0.131 50 50 ABGA O=C(O)/C=C/c1cccc(B(O)O)c1 169747023 QCHIEOGZUMAQKI-SNAWJCMRSA-N 191.979 -0.536 50 50 ABGA in-vitro COC(=O)c1ccc(B(O)O)s1 169747965 VJWFTDBWRPSNFS-UHFFFAOYSA-N 185.997 -0.786 50 50 ABGA Cc1c(B(O)O)ccc2c1cnn2C 169810314 ATHVOUQWKYPARY-UHFFFAOYSA-N 190.011 -0.438 50 50 ABGA in-vitro CS(=O)(=O)SCCN 1678038 POKQFZURBRODMI-UHFFFAOYSA-N 155.244 -0.362 50 50 ABGA in-vitro CC(=O)N[C@@H](CC(C)C)C(=O)NN 71773820 JXVATOYPWVUUCX-ZETCQYMHSA-N 187.243 -0.473 50 50 ABGA CC(C)CCn1cc(B(O)O)cn1 169746927 RFMLXEBQNNMUHX-UHFFFAOYSA-N 182.032 -0.391 50 50 ABGA in-vitro O=Cc1ccc(B(O)O)c(F)c1 169747952 OAEJODVYVOAOPH-UHFFFAOYSA-N 167.932 -0.682 50 50 ABGA O=C(O)NNc1ccc2nncn2n1 16310603 AXHAMFGHDAJJOM-UHFFFAOYSA-N 194.154 -0.281 50 50 ABGA CC(=O)NCc1ccc(B(O)O)cc1 169745399 ZMJVNKSOLIUBKO-UHFFFAOYSA-N 193.011 -0.998 50 50 ABGA in-vitro CCc1ccc(B(O)O)s1 169794605 SRCHLCSUUTVUNG-UHFFFAOYSA-N 156.015 -0.010 50 50 ABGA in-vitro NNC(=O)CNC(=O)c1ccccc1 39878 GFEYJORMLBEOOP-UHFFFAOYSA-N 193.206 -0.594 50 50 ABGA in-vitro CC(C)COc1ccc(B(O)O)cn1 238157935 UCUOSQKSDIVWEQ-UHFFFAOYSA-N 195.027 -0.204 50 50 ABGA Cc1ccc(B(O)O)cc1O 169748067 BVFGFBGCIAWVMF-UHFFFAOYSA-N 151.958 -0.620 50 50 ABGA in-vitro OCCCc1cccc(B(O)O)c1 169745391 OTCBPHAZRFXGKH-UHFFFAOYSA-N 180.012 -0.709 50 50 ABGA in-vitro Cc1cc(C=O)ccc1B(O)O 169747889 ORHODDYPZMCLBU-UHFFFAOYSA-N 163.969 -0.513 50 50 ABGA N#CCCc1ccc(B(O)O)cc1 169746630 HHRXZPURHTWUJL-UHFFFAOYSA-N 174.996 -0.177 50 50 ABGA in-vitro CCCOc1ncc(B(O)O)cc1C 169934690 UWPMGAWNSIGEIT-UHFFFAOYSA-N 195.027 -0.141 50 50 ABGA OB(O)c1ccc(O)cc1 169743315 COIQUVGFTILYGA-UHFFFAOYSA-N 137.931 -0.928 50 50 ABGA CC(C)(C(=O)NN)n1cncn1 169603 ZTYIXAPRQZAEPL-UHFFFAOYSA-N 169.188 -0.997 50 50 ABGA C[C@@H](C(=O)NN)n1cccn1 47218783 QIUVUXJDIFSGNE-YFKPBYRVSA-N 154.173 -0.566 50 50 ABGA in-vitro O=C(O)c1ccccc1B(O)O 169744855 KWNPRVWFJOSGMZ-UHFFFAOYSA-N 165.941 -0.935 50 50 ABGA in-vitro Cn1cc2ccc(B(O)O)cc2n1 169743461 JADBVQWCMHPPQA-UHFFFAOYSA-N 175.984 -0.747 50 50 ABGA in-vitro OB(O)c1ccc2c(c1)OCCO2 169746978 SQDUGGGBJXULJR-UHFFFAOYSA-N 179.968 -0.862 50 50 ABGA in-vitro N[C@@H](CCl)C(=O)O 1529480 ASBJGPTTYPEMLP-REOHCLBHSA-N 123.539 -0.363 50 50 ABGA in-vitro,metabolite COc1cc(C)c(B(O)O)c(C)c1 169743999 UOSSBXMFWPYHEF-UHFFFAOYSA-N 180.012 -0.008 50 50 ABGA O=C(O)/C=C/c1ccccc1B(O)O 169747029 OPFDGNUJQALQFL-AATRIKPKSA-N 191.979 -0.536 50 50 ABGA OB(O)c1ccc2c(c1)CC2 196051840 UTCPXUQYTYNXQT-UHFFFAOYSA-N 147.970 -0.535 50 50 ABGA O=Cc1cc(F)c(B(O)O)cc1F 238617715 LTCTYEAWYWPJQG-UHFFFAOYSA-N 185.922 -0.543 50 50 ABGA C[Si](C)(C)c1cccc(B(O)O)c1 169747745 REMKRZLFPLDTKR-UHFFFAOYSA-N 194.115 -0.088 50 50 ABGA in-vitro CCn1nnn(CCCl)c1=O 33605659 CKOJGMKAXXTOLV-UHFFFAOYSA-N 176.607 -0.302 50 50 ABGA OCCCc1ccc(B(O)O)cc1 169745368 KCRVWMBFIDPDIF-UHFFFAOYSA-N 180.012 -0.709 50 50 ABGA in-vitro Cc1ccc(B(O)O)c(F)c1F 169746443 ZSNYLXVAUJWEMN-UHFFFAOYSA-N 171.939 -0.047 50 50 ABGA CCc1cc(OC)ccc1B(O)O 169807409 JHTURCRYQLGBFW-UHFFFAOYSA-N 180.012 -0.063 50 50 ABGA in-vitro C=CCNC(=S)NNC(C)=O 4619141 NFAOMFCANWAOFU-UHFFFAOYSA-N 173.241 -0.312 50 50 ABGA O=C1OC(=O)[C@@H]2C=C[C@H]12 115969139 XREQZAHSEPNASW-ZXZARUISSA-N 124.095 -0.128 50 50 ABGA CC1=C(C(=O)NN)SCCO1 196146839 LFPKEYPIWCVDEA-UHFFFAOYSA-N 174.225 -0.029 50 50 ABGA OB(O)c1c(F)ccc2[nH]ccc12 238613244 BGPHECXPHNAJCF-UHFFFAOYSA-N 178.959 -0.013 50 50 ABGA in-vitro O=Cc1cc(B(O)O)ccc1F 169743632 YABSTJQEBSKPCG-UHFFFAOYSA-N 167.932 -0.682 50 50 ABGA in-vitro CCNc1cccc(B(O)O)c1 170020427 AMEXHZJCEDVHMK-UHFFFAOYSA-N 165.001 -0.202 50 50 ABGA in-vitro Cc1[nH]nc2c(B(O)O)cccc12 197959518 NOECVYNEVSUQPU-UHFFFAOYSA-N 175.984 -0.449 50 50 ABGA in-vitro CN(C)/C=C(\C#N)S(C)(=O)=O 12408568 YGCYQSVPXXQVCC-AATRIKPKSA-N 174.225 -0.042 50 50 ABGA in-vitro O=C(O)C(Br)C(=O)O 13548534 VBZOUUJVGADJBK-UHFFFAOYSA-N 182.957 -0.081 50 50 ABGA in-vitro C[C@@H](C#N)c1ccccc1B(O)O 170000894 JLODEADFYWKFEK-ZETCQYMHSA-N 174.996 -0.007 50 50 ABGA C[C@H](NC(=O)CCl)C(=O)O 163863 HTAQFYLADZNZHZ-VKHMYHEASA-N 165.576 -0.186 50 50 ABGA in-vitro OB(O)c1ccc(N2CCCC2)cc1 169855909 HNEBXPPPIFWGHH-UHFFFAOYSA-N 191.039 -0.033 50 50 ABGA in-vitro Cn1cc2cccc(B(O)O)c2n1 197902017 PNVSRHLDCRSFAZ-UHFFFAOYSA-N 175.984 -0.747 50 50 ABGA in-vitro Cc1[nH]nc(C(=O)NN)c1Cl 238494760 JANAXLWEZPYSKA-UHFFFAOYSA-N 174.591 -0.025 50 50 ABGA OB(O)c1cccc2ccnn12 169946484 XYPAUEHJYVNCFT-UHFFFAOYSA-N 161.957 -0.986 50 50 ABGA in-vitro C=CB(O)O 169956880 YFXCNIVBAVFOBX-UHFFFAOYSA-N 71.872 -0.816 50 50 ABGA NNC(=O)[C]1[CH][CH][CH][CH]1 198405827 XDEJFYFMMMRPEP-UHFFFAOYSA-N 123.135 -0.618 50 50 ABGA COc1c(B(O)O)ccc(C)c1F 209809809 POJOYDYAJWEBMY-UHFFFAOYSA-N 183.975 -0.177 50 50 ABGA NNC(=O)c1ccc2c(N)n[nH]c2c1 675050383 FJJBDVQJSRXQCL-UHFFFAOYSA-N 191.194 -0.251 50 50 ABGA COCCNC(=O)CCl 3269727 VPXIGHWTJSUAIH-UHFFFAOYSA-N 151.593 -0.012 50 50 ABGA in-vitro C[S@](=O)c1cccc(B(O)O)c1 169794541 XYLPYIANRLXCDW-LBPRGKRZSA-N 184.025 -0.896 50 50 ABGA in-vitro CCOc1ccccc1B(O)O 169743331 DGFCTCGCMKEILT-UHFFFAOYSA-N 165.985 -0.235 50 50 ABGA in-vitro COCOc1ccc(B(O)O)cc1 169747891 MERYVSUVKVVJMP-UHFFFAOYSA-N 181.984 -0.651 50 50 ABGA in-vitro OB(O)c1c(F)ccc(O)c1Cl 169747974 MMQMWHTYNPPUMF-UHFFFAOYSA-N 190.366 -0.136 50 50 ABGA in-vitro Cc1ccc2n[nH]c(C)c2c1B(O)O 231411567 KXPFXAXOIWFLNV-UHFFFAOYSA-N 190.011 -0.140 50 50 ABGA OB(O)c1c(F)cc(F)c(F)c1F 169747044 FYJHKJSCYHAWFW-UHFFFAOYSA-N 193.892 -0.077 50 50 ABGA in-vitro NC(=O)c1cc(Cl)cc(B(O)O)c1 169746223 YFWFJKMZBNMWMC-UHFFFAOYSA-N 199.402 -0.881 50 50 ABGA in-vitro C[C@@H]1C(=O)OC(=O)N1C 114296122 WTFJJYYGWFKOQH-GSVOUGTGSA-N 129.115 -0.017 50 50 ABGA in-vitro COc1ccc(C=O)cc1B(O)O 169743264 NKKNXLPHCRLBDY-UHFFFAOYSA-N 179.968 -0.813 50 50 ABGA N#Cc1ccc(B(O)O)s1 169743376 ZEOMEPSYIIQIND-UHFFFAOYSA-N 152.971 -0.700 50 50 ABGA in-vitro COCCCB(O)O 196272136 DQCJYSDRWIJCFW-UHFFFAOYSA-N 117.941 -0.504 50 50 ABGA in-vitro CCc1ccc(B(O)O)cc1[N+](=O)[O-] 725346765 YFJCUXQEDPIFDM-UHFFFAOYSA-N 194.983 -0.163 50 50 ABGA Cc1ccc(B(O)O)cc1C#N 169747992 BFFJLRZTXUFIRI-UHFFFAOYSA-N 160.969 -0.454 50 50 ABGA in-vitro Cc1nn(C)cc1C(=O)NN 2549417 YVHSEIOJPHRUIV-UHFFFAOYSA-N 154.173 -0.668 50 50 ABGA in-vitro NNC(=O)Cc1ccccn1 39136682 NRPAJWLZXPNDOY-UHFFFAOYSA-N 151.169 -0.386 50 50 ABGA in-vitro COCCc1ccccc1B(O)O 204197037 ZTEYMAAFQHBRPI-UHFFFAOYSA-N 180.012 -0.445 50 50 ABGA OB(O)c1ccc2ccccc2n1 169747038 DWHCQRBWSBKHMI-UHFFFAOYSA-N 172.980 -0.085 50 50 ABGA in-vitro Cc1ccc(B(O)O)c(C#N)c1 169747156 JNMAPBUMNAHKOU-UHFFFAOYSA-N 160.969 -0.454 50 50 ABGA Cc1ncc(B(O)O)cc1Cl 206069814 FNHKINFYFJFHCC-UHFFFAOYSA-N 171.392 -0.277 50 50 ABGA CC(=O)O[C@H]1CC(=O)OC1=O 72399329 SSWJHSASZZAIAU-BYPYZUCNSA-N 158.109 -0.608 50 50 ABGA in-vitro OB(O)c1cccc2cccnc12 169743272 KXJJSKYICDAICD-UHFFFAOYSA-N 172.980 -0.085 50 50 ABGA in-vitro NNC(=O)c1cocn1 30677889 BJKXXQQGEZGQSQ-UHFFFAOYSA-N 127.103 -0.722 50 50 ABGA in-vitro NNC(=O)c1ccc(F)cn1 81990554 ONIQAPTYIHXUFI-UHFFFAOYSA-N 155.132 -0.176 50 50 ABGA in-vitro N[C@@H]1CS(=O)(=O)C[C@@H]1Cl 34738846 COPRYPAOGCTLCJ-IUYQGCFVSA-N 169.633 -0.651 50 50 ABGA in-vitro COc1c(F)cccc1B(O)O 169744911 ABTBKKHOMBEJGL-UHFFFAOYSA-N 169.948 -0.486 50 50 ABGA Cc1cc(C(=O)O)ccc1B(O)O 169748090 QIGSMEYLQVLGRY-UHFFFAOYSA-N 179.968 -0.627 50 50 ABGA OB(O)c1cccc2c1OCCC2 170019465 LUKDZQONQZOKEA-UHFFFAOYSA-N 177.996 -0.309 50 50 ABGA in-vitro NC(=O)C[C@H](Br)C(=O)O 71773299 VOHGVHFOVIFUSA-REOHCLBHSA-N 196.000 -0.290 50 50 ABGA Cc1cc(B(O)O)ccc1C#N 169746640 CCEBEGIKXKLSDR-UHFFFAOYSA-N 160.969 -0.454 50 50 ABGA in-vitro OB(O)c1cccc2nsnc12 169904550 RVXHEMODAHHASJ-UHFFFAOYSA-N 179.997 -0.629 50 50 ABGA in-vitro N#CC1(c2cccc(B(O)O)c2)CC1 169951572 QPFQYMMRBKIABU-UHFFFAOYSA-N 187.007 -0.078 50 50 ABGA O=C1CCCc2ccc(B(O)O)cc21 202509524 SXFJBJJYSFLTMC-UHFFFAOYSA-N 190.007 -0.115 50 50 ABGA CN(C)Cc1ccc(B(O)O)cc1 169745987 LRWRYAVXFZBFRJ-UHFFFAOYSA-N 179.028 -0.572 50 50 ABGA in-vitro Cc1cnc(C(=O)NN)cn1 38537126 IBFMTDRAKYKXQS-UHFFFAOYSA-N 152.157 -0.611 50 50 ABGA COCc1cc(F)ccc1B(O)O 170155320 UWMODTOABLEDJO-UHFFFAOYSA-N 183.975 -0.348 50 50 ABGA CCc1cc(B(O)O)ccn1 169917245 CBMFWKBCFLYDDG-UHFFFAOYSA-N 150.974 -0.676 50 50 ABGA O=C1NC2(CCOCC2)C(=O)O1 238658292 DSFJJABYHBJIMB-UHFFFAOYSA-N 171.152 -0.198 50 50 ABGA CCn1nccc1C(=O)NN 2568967 WQLSSKUSMVWFIQ-UHFFFAOYSA-N 154.173 -0.494 50 50 ABGA in-vitro O=C1OC(=O)[C@H]2[C@@H]3C=C[C@@H](O3)[C@@H]12 8100963 QQYNRBAAQFZCLF-FBXFSONDSA-N 166.132 -0.361 50 50 ABGA in-vitro N#Cc1ccc(B(O)O)cc1F 169743652 DECWLXUOZUMPBF-UHFFFAOYSA-N 164.932 -0.623 50 50 ABGA in-vitro OB(O)c1cnn(C2CCCC2)c1 169964857 ZDKOFAUNSVRUKJ-UHFFFAOYSA-N 180.016 -0.322 50 50 ABGA CNC(=S)NNC(C)=O 1082632 CDSLFJXMEOKCQF-UHFFFAOYSA-N 147.203 -0.869 50 50 ABGA Cc1cc(B(O)O)cnc1F 169743782 XCWIMBMPJGQNHG-UHFFFAOYSA-N 154.937 -0.791 50 50 ABGA in-vitro COc1ccc(OC)c(B(O)O)c1 169744865 QOZLFNQLIKOGDR-UHFFFAOYSA-N 181.984 -0.616 50 50 ABGA in-vitro OB(O)c1ccc(F)nc1F 169744896 LCCZTROJRJFXNV-UHFFFAOYSA-N 158.900 -0.960 50 50 ABGA in-vitro NNC(=O)[C@H]1CCOC1 40941530 DQLGPMHNSVSHQZ-BYPYZUCNSA-N 130.147 -0.987 50 50 ABGA in-vitro COc1cc(B(O)O)c(F)cc1F 169964644 LPDXDGZARPKGCF-UHFFFAOYSA-N 187.938 -0.347 50 50 ABGA Cc1ncncc1C(=O)NN 67425162 GMWPEEYPFSJHPT-UHFFFAOYSA-N 152.157 -0.611 50 50 ABGA in-vitro COc1cc(F)c(B(O)O)c(OC)c1 196961219 VRYIYLGRLZLYPA-UHFFFAOYSA-N 199.974 -0.477 50 50 ABGA COc1ncc(C)cc1B(O)O 169873900 WIIYALHHVMIETQ-UHFFFAOYSA-N 166.973 -0.922 50 50 ABGA in-vitro Cc1ccc(C(=O)NN)cn1 4548286 WXHPYVNOEDALAS-UHFFFAOYSA-N 151.169 -0.006 50 50 ABGA in-vitro CO[C@H](C)C(=O)NN 9826417 SGCSGQGGDRALGC-GSVOUGTGSA-N 118.136 -0.989 50 50 ABGA in-vitro NC(N)=NNC(=O)c1ccccc1O 147101396 OGUAKVCZJQAXIF-UHFFFAOYSA-N 194.194 -0.690 50 50 ABGA NNC(=O)c1ccc(O)cc1O 401915 GOPUHTXVZGIOHN-UHFFFAOYSA-N 168.152 -0.299 50 50 ABGA in-vitro NNC(=O)Cc1ccc[nH]1 2576194 FABDQTPEVHGGLG-UHFFFAOYSA-N 139.158 -0.453 50 50 ABGA O=C(O)c1cc(B(O)O)ccc1F 169743436 DGORTXQWDDXSIQ-UHFFFAOYSA-N 183.931 -0.796 50 50 ABGA in-vitro COC(=O)c1cccc(B(O)O)c1C 238401291 OFQQQFUIQMLXRI-UHFFFAOYSA-N 193.995 -0.539 50 50 ABGA N#Cc1ccc(B(O)O)c(F)c1 169743627 HFAUMAIVCYTVQR-UHFFFAOYSA-N 164.932 -0.623 50 50 ABGA Cc1cc(F)cc(B(O)O)c1 169745122 QQPLHUGOUZKARP-UHFFFAOYSA-N 153.949 -0.186 50 50 ABGA in-vitro C[C@H](Cn1cccn1)C(=O)NN 58862908 DHCFRFGJQODJRD-ZCFIWIBFSA-N 168.200 -0.491 50 50 ABGA OB(O)c1c(F)cc(F)cc1F 169743512 IPEIGKHHSZFAEW-UHFFFAOYSA-N 175.902 -0.216 50 50 ABGA in-vitro CCOc1cc(B(O)O)ccc1F 169747906 IGAMLTGCYDPORS-UHFFFAOYSA-N 183.975 -0.096 50 50 ABGA in-vitro Cc1cc(B(O)O)c2cnn(C)c2c1 169810024 IAKWEHQNRFCXIO-UHFFFAOYSA-N 190.011 -0.438 50 50 ABGA Cc1ccc(B(O)O)cc1CO 169956699 FWRHGZABAOAWSQ-UHFFFAOYSA-N 165.985 -0.833 50 50 ABGA CC(C)(C)OC(=O)NCC(=O)NN 2381196 MQBASTZLTYLEON-UHFFFAOYSA-N 189.215 -0.499 50 50 ABGA in-vitro Cc1ccc(N(C)C)c(B(O)O)c1 170626162 UXYKGIKTYMYBIX-UHFFFAOYSA-N 179.028 -0.259 50 50 ABGA Cc1n[nH]c(C)c1CCC(=O)NN 406031 NBQIROUFTRKVPR-UHFFFAOYSA-N 182.227 -0.051 50 50 ABGA in-vitro OB(O)c1cnn([C@@H]2CCCCO2)c1 169933919 BRMZVBYTGLUGDS-QMMMGPOBSA-N 196.015 -0.738 50 50 ABGA in-vitro CCN(N)C(=O)COC 757128027 OYYOYYDCJNYBNJ-UHFFFAOYSA-N 132.163 -0.645 50 50 ABGA NNC(=O)Cc1csc(N)n1 967260 YBRQONJVBBCGGK-UHFFFAOYSA-N 172.213 -0.742 50 50 ABGA in-vitro COC(=O)[C@@H](CCl)NC(C)=O 1728689 IGKDMFMKAAPDDN-RXMQYKEDSA-N 179.603 -0.097 50 50 ABGA in-vitro NNC(=O)[C@@H](N)Cc1ccc(O)cc1 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187.938 -0.347 50 50 ABGA in-vitro COC(=O)c1cccc(B(O)O)c1 169743320 ALTLCJHSJMGSLT-UHFFFAOYSA-N 179.968 -0.847 50 50 ABGA in-vitro COc1ccc(B(O)O)cc1C#N 199020323 BBOOIZOUHWDLHU-UHFFFAOYSA-N 176.968 -0.753 50 50 ABGA CN(C)c1cc(B(O)O)ccc1F 238307859 WOWLLSRIXGQMSH-UHFFFAOYSA-N 182.991 -0.429 50 50 ABGA OB(O)c1c[nH]c2ccccc12 169747417 PTTHBZMGHRDZCV-UHFFFAOYSA-N 160.969 -0.152 50 50 ABGA OB(O)c1cc(F)c(O)c(F)c1 169748181 ZLSDOFHBADFRMF-UHFFFAOYSA-N 173.911 -0.650 50 50 ABGA N#CC1(O)COC1 225341927 FYRFQGJXETWAKL-UHFFFAOYSA-N 99.089 -0.729 50 50 ABGA O=C1CCC[C@@H](B(O)O)C1 238609007 XPPSQVKWDDHUGO-RXMQYKEDSA-N 141.963 -0.028 50 50 ABGA CC(=O)/C(C=O)=C/NC(N)=O 498050250 QSJUWDOQTFGQOI-GORDUTHDSA-N 156.141 -0.674 50 50 ABGA COc1nc(C)ccc1B(O)O 169873903 FPYWLOGLINZGBB-UHFFFAOYSA-N 166.973 -0.922 50 50 ABGA in-vitro Cc1c(B(O)O)csc1C=O 169902030 IQSYUVVZXOQDMC-UHFFFAOYSA-N 169.998 -0.451 50 50 ABGA C[N+](C)(C)c1ccc(B(O)O)cc1 202012093 MTCVMQNEEMRGPU-UHFFFAOYSA-N 180.036 -0.437 50 50 ABGA 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GVUQQOCHHRPIMT-UHFFFAOYSA-N 193.974 -0.608 50 50 ABGA Cn1ccnc1C(=O)NN 16382590 NHBUERBIIJQGGG-UHFFFAOYSA-N 140.146 -0.976 50 50 ABGA in-vitro COCc1ccc(F)c(B(O)O)c1 203174164 CTPACPLLHKMQDS-UHFFFAOYSA-N 183.975 -0.348 50 50 ABGA NNC(=O)c1cnco1 2527140 XGOXHUIKFGEJHK-UHFFFAOYSA-N 127.103 -0.722 50 50 ABGA in-vitro OB(O)c1cnc(F)c(Cl)c1 169747662 YYFMQBOVWLWZQO-UHFFFAOYSA-N 175.355 -0.446 50 50 ABGA in-vitro COc1cccc(C)c1B(O)O 169988654 WGKKQSDBNMUTNF-UHFFFAOYSA-N 165.985 -0.317 50 50 ABGA in-vitro N#Cc1cccc(B(O)O)c1 169743230 XDBHWPLGGBLUHH-UHFFFAOYSA-N 146.942 -0.762 50 50 ABGA in-vivo O=C=NC[C@@H]1CCS(=O)(=O)C1 3866020 RHXKIRSUOWZZNS-LURJTMIESA-N 175.209 -0.243 50 50 ABGA in-vitro O=C1COCC(=O)O1 8100885 PIYNUZCGMLCXKJ-UHFFFAOYSA-N 116.072 -0.914 50 50 ABGA in-vitro CCO[C@@H](CC)C(=O)NN 10213288 PIGJKRVEPMQDCQ-YFKPBYRVSA-N 146.190 -0.209 50 50 ABGA in-vitro OB(O)c1ccoc1Cl 169990183 SLWVJHJJQBAYDD-UHFFFAOYSA-N 146.338 -0.387 50 50 ABGA OB(O)/C=C\CCl 195820406 JMTGSXGIIONQHI-UPHRSURJSA-N 120.344 -0.207 50 50 ABGA COc1ccc([N+](=O)[O-])c(B(O)O)c1 217424655 FEKZDSKDGQNCNX-UHFFFAOYSA-N 196.955 -0.717 50 50 ABGA OB(O)c1ccc(CNC2CC2)cc1 238644465 KNRWMGMZYBNUBQ-UHFFFAOYSA-N 191.039 -0.382 50 50 ABGA O=CC1=CN[C@@H](C(=O)O)CC1 1772716278 DUFXWDSBRWQOPY-ZCFIWIBFSA-N 155.153 -0.094 50 50 ABGA CC(C)CCn1nccc1B(O)O 169955624 CWFZHICUFOUGRG-UHFFFAOYSA-N 182.032 -0.391 50 50 ABGA in-vitro O=C(O)c1ccc(B(O)O)s1 169743802 OQGIKNPOYTVNNF-UHFFFAOYSA-N 171.970 -0.874 50 50 ABGA in-vivo CCOc1ccc(B(O)O)c(OC)c1 169894043 WMVVZNXFUFZMPF-UHFFFAOYSA-N 196.011 -0.226 50 50 ABGA CCOC(=O)c1coc(B(O)O)c1 206066176 LAOUXSLHMBXBLA-UHFFFAOYSA-N 183.956 -0.864 50 50 ABGA Cc1c(F)cc(B(O)O)cc1F 209745263 PVWCCYIZIZXRFE-UHFFFAOYSA-N 171.939 -0.047 50 50 ABGA NNC(=O)[C@@H]1CCOC1 40941529 DQLGPMHNSVSHQZ-SCSAIBSYSA-N 130.147 -0.987 50 50 ABGA in-vitro CO[C@H]1CN[C@H](Cl)N(C)C1=O 97758589 WQILCLPMKFDDSH-NJGYIYPDSA-N 178.619 -0.415 50 50 ABGA N#Cc1ccc(F)c(B(O)O)c1 169743437 ITCSMTHUTFTXLE-UHFFFAOYSA-N 164.932 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50 50 ABGA N[C@H]1CS(=O)(=O)C[C@@H]1Cl 34738845 COPRYPAOGCTLCJ-IMJSIDKUSA-N 169.633 -0.651 50 50 ABGA in-vitro Cc1cc(CO)ccc1B(O)O 169748194 IYJFMZDMFLQDCO-UHFFFAOYSA-N 165.985 -0.833 50 50 ABGA N#Cc1ccc(B(O)O)c(F)c1F 198947622 ALLVXNYXCIPTKT-UHFFFAOYSA-N 182.922 -0.484 50 50 ABGA O=C1CC=C(B(O)O)CC1 1772572490 POWNCVJYURBVIS-UHFFFAOYSA-N 139.947 -0.322 50 50 ABGA CC(=O)Nc1cc(C)c(B(O)O)cn1 198639928 PKUXQHBKIUCFPL-UHFFFAOYSA-N 193.999 -0.972 50 50 ABGA COc1cc2[nH]ncc2cc1B(O)O 209792378 QBJUPFLLEKHYDD-UHFFFAOYSA-N 191.983 -0.749 50 50 ABGA Cn1ncc(B(O)O)c1C(F)(F)F 575441773 APVPCMDJNJPMHW-UHFFFAOYSA-N 193.921 -0.881 50 50 ABGA CCOC(=O)CN=C=O 1693377 DUVOZUPPHBRJJO-UHFFFAOYSA-N 129.115 -0.115 50 50 ABGA in-vitro Cc1c(C=O)cccc1B(O)O 170002658 PCMJTYJNVKJFBC-UHFFFAOYSA-N 163.969 -0.513 50 50 ABGA CCc1nc2ccc(B(O)O)cc2[nH]1 725241667 LSKAGSOUKQHSIE-UHFFFAOYSA-N 190.011 -0.195 50 50 ABGA OB(O)c1coc(C(F)(F)F)c1 1536219973 ZLOCYFUZKDKFBS-UHFFFAOYSA-N 179.890 -0.022 50 50 ABGA CB(O)O 169743200 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KNXQDJCZSVHEIW-UHFFFAOYSA-N 139.922 -0.495 50 50 ABGA in-vitro OB(O)c1ccc2c(c1)CCCO2 169747648 RIBOTMNSYSYOHG-UHFFFAOYSA-N 177.996 -0.309 50 50 ABGA in-vitro OB(O)C1=CCC2(CC1)OCCO2 169807739 WDXCZWJQOFPQOS-UHFFFAOYSA-N 184.000 -0.148 50 50 ABGA in-vitro NNC(=O)c1cc(O)cc(O)c1 405095 FJBLNCPJAVARBR-UHFFFAOYSA-N 168.152 -0.299 50 50 ABGA in-vitro OC[C@@H](O)CBr 2037653 SIBFQOUHOCRXDL-VKHMYHEASA-N 154.991 -0.266 50 50 ABGA in-vitro CO[C@@H](C)C(=O)NN 9826415 SGCSGQGGDRALGC-VKHMYHEASA-N 118.136 -0.989 50 50 ABGA in-vitro Cc1[nH]nc2cccc(B(O)O)c12 197959484 SRVMIYRNCHTCIN-UHFFFAOYSA-N 175.984 -0.449 50 50 ABGA in-vitro C[C@H](O)C(=O)N/N=C/c1ccncc1 438443 PDRRGPSDWYJKEY-KEXZDQNZSA-N 193.206 -0.088 50 50 ABGA NNC(=O)c1ccc(O)c(N)c1 156093 KNKNIBYXWQUDIH-UHFFFAOYSA-N 167.168 -0.422 50 50 ABGA O/N=C\c1ccc(B(O)O)cc1 170002670 BHSGANPJSINVBL-UITAMQMPSA-N 164.957 -0.826 50 50 ABGA COc1ccc(C#N)cc1B(O)O 169794685 LDZCPLGOLLHOON-UHFFFAOYSA-N 176.968 -0.753 50 50 ABGA Cn1ncc2cc(F)c(B(O)O)cc21 169810408 HUXIINILKOWIAC-UHFFFAOYSA-N 193.974 -0.608 50 50 ABGA C[C@H](CO)NC(=O)CCl 40438558 CHFSJZZCPILTEV-SCSAIBSYSA-N 151.593 -0.278 50 50 ABGA COC(=O)[C@H](Cl)C=O 100165146 LXSUVYGZODASAI-GSVOUGTGSA-N 136.534 -0.034 50 50 ABGA in-vitro Cn1ncc(Cl)c1C(=O)NN 1088622 PPLCIHVXGDFWGU-UHFFFAOYSA-N 174.591 -0.323 50 50 ABGA in-vitro CO[C@H]1CC[C@@](OC)(C(=O)NN)O1 1703137 IZVQHUYUEJYNMO-VDTYLAMSSA-N 190.199 -0.898 50 50 ABGA O=C(O)C[C@@H]1CC(=O)OC1=O 85809039 LYANEXCVXFZQFF-GSVOUGTGSA-N 158.109 -0.449 50 50 ABGA COc1cc(O)ccc1B(O)O 169978219 CUJHXROTYXHSEX-UHFFFAOYSA-N 167.957 -0.919 50 50 ABGA OB(O)c1cc2cccnc2s1 202049469 MNEBNNDPFRPIIT-UHFFFAOYSA-N 179.009 -0.024 50 50 ABGA OB(O)c1ccc(OC(F)F)cc1 169747546 MFZNJRNTHPKCFY-UHFFFAOYSA-N 187.938 -0.032 50 50 ABGA in-vitro CN(C)Cc1cc(F)ccc1B(O)O 230528925 ZDZNQSHWAKMXIF-UHFFFAOYSA-N 197.018 -0.433 50 50 ABGA O=C(O)Cc1cccc(B(O)O)c1F 604221795 HXPJTAANQNFJLA-UHFFFAOYSA-N 197.958 -0.867 50 50 ABGA O=S1(=O)C[C@H](O)[C@@H](Cl)C1 1083868 OIPVZGSYIJYEGU-IMJSIDKUSA-N 170.617 -0.617 50 50 ABGA in-vitro CN(C)c1ccc(B(O)O)cc1 169743243 RIIPFHVHLXPMHQ-UHFFFAOYSA-N 165.001 -0.568 50 50 ABGA in-vitro OB(O)c1cccc2cnccc12 169745327 XKEYHBLSCGBBGU-UHFFFAOYSA-N 172.980 -0.085 50 50 ABGA in-vitro OB(O)c1ccc(O)cc1Cl 169745693 NRBQMBXPVAUMJY-UHFFFAOYSA-N 172.376 -0.275 50 50 ABGA CCC(=O)c1cccc(B(O)O)c1 169806757 HNEGUQPUGHVSEQ-UHFFFAOYSA-N 177.996 -0.041 50 50 ABGA CCO[C@H](CC)C(=O)NN 10213290 PIGJKRVEPMQDCQ-RXMQYKEDSA-N 146.190 -0.209 50 50 ABGA in-vitro CN(C)Cc1ccc(F)cc1B(O)O 203191858 XZQHDVIHVSXLQW-UHFFFAOYSA-N 197.018 -0.433 50 50 ABGA OB(O)c1ccc2ncsc2c1 169745354 HGXFPSLIIZOVMB-UHFFFAOYSA-N 179.009 -0.024 50 50 ABGA in-vitro CC(=O)[C@H]1C(=O)OC(=O)[C@H]1C(C)=O 101021876 IUTCCKBNLGSFGM-OLQVQODUSA-N 184.147 -0.520 50 50 ABGA N#Cc1cc(F)c(F)cc1B(O)O 170000942 MQZKXUUUSIAJDE-UHFFFAOYSA-N 182.922 -0.484 50 50 ABGA OB(O)c1cnc2[nH]cc(F)c2c1 170027776 GVKUOFHERZUBQF-UHFFFAOYSA-N 179.947 -0.618 50 50 ABGA COc1c(B(O)O)ccc(C)c1C 204530829 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Cc1cnc(Cl)c(B(O)O)c1 169745472 ZMHWEBDZKPQNHG-UHFFFAOYSA-N 171.392 -0.277 50 50 ABGA in-vitro NNC(=O)c1ccc(C(=O)O)cc1 285296 MTVPAGODJIOVSB-UHFFFAOYSA-N 180.163 -0.012 50 50 ABGA in-vitro Cc1cccc(B(O)O)c1 169743196 BJQCPCFFYBKRLM-UHFFFAOYSA-N 135.959 -0.325 50 50 ABGA in-vitro O=[N+]([O-])c1cc(F)cc(B(O)O)c1 206079087 BSYOLGWHMRXCDU-UHFFFAOYSA-N 184.919 -0.586 50 50 ABGA in-vitro Cc1n[nH]c(C)c1CC(=O)NN 37388196 YSISNFFQXXEYBV-UHFFFAOYSA-N 168.200 -0.441 50 50 ABGA in-vitro COc1cccc(B(O)O)c1C#N 169746638 GRHINHWGIHWEPE-UHFFFAOYSA-N 176.968 -0.753 50 50 ABGA Cn1cnc2cc(B(O)O)ccc21 169794711 ULAHHADVEXVVEN-UHFFFAOYSA-N 175.984 -0.747 50 50 ABGA in-vitro Cc1cc([N+](=O)[O-])cc(B(O)O)c1C 306855950 XHTIPVBVUSAYGP-UHFFFAOYSA-N 194.983 -0.109 50 50 ABGA COc1ccc(B(O)O)c(C=O)c1 169748059 ZSSNGMFKYFBOAG-UHFFFAOYSA-N 179.968 -0.813 50 50 ABGA in-vitro Cc1cc(F)ncc1B(O)O 169745176 BAVHOAIWOSIBRD-UHFFFAOYSA-N 154.937 -0.791 50 50 ABGA COc1c(C=O)cc(C)cc1B(O)O 169748148 WDUHXJSEZPXEFU-UHFFFAOYSA-N 193.995 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170.120 -0.093 50 50 ABGA OB(O)c1ccc(C2(O)CCC2)cc1 219373735 GVZKTTKKEWDYQO-UHFFFAOYSA-N 192.023 -0.262 50 50 ABGA O=C(O)[C@@H](Cl)CO 75521308 GAHMZBZGINHHJR-REOHCLBHSA-N 124.523 -0.329 50 50 ABGA COc1nccc(C)c1B(O)O 169809875 AJLXSLVBLSRPSQ-UHFFFAOYSA-N 166.973 -0.922 50 50 ABGA O=C(O)Cc1ccc(B(O)O)cc1F 1848351040 UCLLWWQIHYUWSJ-UHFFFAOYSA-N 197.958 -0.867 50 50 ABGA OB(O)c1ncc(Cl)cc1F 170000790 KHTDFZQTEZIIBD-UHFFFAOYSA-N 175.355 -0.446 50 50 ABGA CNc1ccc(B(O)O)cc1 196508578 IDWLEJGVLKZNGX-UHFFFAOYSA-N 150.974 -0.592 50 50 ABGA OB(O)CC1CCOCC1 169965534 VSONRZMBCYWOON-UHFFFAOYSA-N 143.979 -0.114 50 50 ABGA COc1cccc(B(O)O)c1C=O 200990164 XSAPYCFXQHQPMM-UHFFFAOYSA-N 179.968 -0.813 50 50 ABGA CC#Cc1ccccc1B(O)O 197871603 CZEHXQUXMYYIRD-UHFFFAOYSA-N 159.981 -0.262 50 50 ABGA O=S1(=O)C[C@@H](O)[C@@H](Cl)C1 3865577 OIPVZGSYIJYEGU-IUYQGCFVSA-N 170.617 -0.617 50 50 ABGA in-vitro CN(C)CCc1ccc(B(O)O)cc1 204243145 LTURQCADKXWUMN-UHFFFAOYSA-N 193.055 -0.530 50 50 ABGA Cc1ccc2c(cnn2C)c1B(O)O 169810309 HXZJNUVDIOSKNT-UHFFFAOYSA-N 190.011 -0.438 50 50 ABGA in-vitro CCOc1cccc(B(O)O)c1C#N 170001003 PHNSAJAZIUSOIG-UHFFFAOYSA-N 190.995 -0.363 50 50 ABGA C[C@H]1NC(=O)OC1=O 60273595 DTETYCNJKAUROO-UWTATZPHSA-N 115.088 -0.359 50 50 ABGA in-vitro OB(O)c1cc(F)ncc1Cl 169746722 UTCNOKCGQCXVAK-UHFFFAOYSA-N 175.355 -0.446 50 50 ABGA in-vitro C[C@@H]1NC(=O)OC1=O 60273598 DTETYCNJKAUROO-REOHCLBHSA-N 115.088 -0.359 50 50 ABGA in-vitro N#Cc1cc(Cl)cc(B(O)O)c1 169745689 DYVJQLYYHMZIIU-UHFFFAOYSA-N 181.387 -0.109 50 50 ABGA in-vitro Cc1cc2cnn(C)c2cc1B(O)O 169810068 JGAHSLPFNPGSNM-UHFFFAOYSA-N 190.011 -0.438 50 50 ABGA in-vitro NNC(=O)CCl 5112738 VHFJFUOFTHFTNI-UHFFFAOYSA-N 108.528 -0.785 50 50 ABGA OB(O)c1ccsc1 169743207 QNMBSXGYAQZCTN-UHFFFAOYSA-N 127.961 -0.572 50 50 ABGA OB(O)c1c(F)ccc2c1OCO2 675050695 IHXOLTYMARHWGN-UHFFFAOYSA-N 183.931 -0.766 50 50 ABGA OB(O)c1cccc2cn[nH]c12 169748006 QAHHYPPRKWNXHT-UHFFFAOYSA-N 161.957 -0.757 50 50 ABGA in-vitro CC(C)Oc1ncccc1B(O)O 169747596 YUKJNDOHNQLKCG-UHFFFAOYSA-N 181.000 -0.451 50 50 ABGA NNC(=O)c1ccccn1 10573 BAQLNPIEFOYKNB-UHFFFAOYSA-N 137.142 -0.315 50 50 ABGA in-vitro N#CCOc1ccc(B(O)O)cc1 169743628 GKJPNYHKHSLHCC-UHFFFAOYSA-N 176.968 -0.731 50 50 ABGA in-vitro [O-][n+]1ccc2cc(B(O)O)ccc2c1 170002015 IRDPOCAGBGLAOM-UHFFFAOYSA-N 188.979 -0.847 50 50 ABGA CCSc1ncc(B(O)O)cn1 170000749 GEBQSXFVMFVHMO-UHFFFAOYSA-N 184.029 -0.732 50 50 ABGA COC(=O)[C@@H]1CCC(NNC(C)=O)=N1 38761884 RDLWRHCMDGVJDP-LURJTMIESA-N 199.210 -0.639 50 50 ABGA CCc1cc(B(O)O)ccc1C=O 169747886 CUHGCQVNNDUJCQ-UHFFFAOYSA-N 177.996 -0.259 50 50 ABGA O=Cc1cc(C=O)c(F)c(B(O)O)c1 169903631 KKXARFPYUGQNNK-UHFFFAOYSA-N 195.942 -0.870 50 50 ABGA in-vitro NCC(=O)NCCCCl 1536221918 VWIVAXRSWCCHSC-UHFFFAOYSA-N 150.609 -0.310 50 50 ABGA CCc1cc(C(=O)NN)nn1C 95630524 RIFQSZRERIEYTR-UHFFFAOYSA-N 168.200 -0.414 50 50 ABGA NC(=O)c1ccc(Cl)cc1B(O)O 169746572 ANUCOOWCIFLMDP-UHFFFAOYSA-N 199.402 -0.881 50 50 ABGA CCc1ccc(OC)c(B(O)O)c1 169746507 RJACNUQXPIDDEV-UHFFFAOYSA-N 180.012 -0.063 50 50 ABGA OB(O)C1=CC[C@@H](O)CC1 200989149 DXDNJLOMTLODHR-ZCFIWIBFSA-N 141.963 -0.530 50 50 ABGA OCCSc1ccc(B(O)O)cc1 205902667 JNURDUOKOAIZFQ-UHFFFAOYSA-N 198.052 -0.549 50 50 ABGA Cc1ncccc1B(O)O 169743451 TWKMYNQPIICYNV-UHFFFAOYSA-N 136.947 -0.930 50 50 ABGA in-vitro O=C1NC[C@@H](Br)C(=O)N1 2045479 ZCDARRSUPCSLRW-UWTATZPHSA-N 193.000 -0.411 50 50 ABGA O=C1OC(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@H]12 100908278 JAABVEXCGCXWRR-ZXXMMSQZSA-N 168.148 -0.137 50 50 ABGA endogenous,in-vitro OB(O)c1cncc(C(F)(F)F)c1 169743464 SFBQNNGMEKUJAN-UHFFFAOYSA-N 190.917 -0.220 50 50 ABGA in-vitro COc1c(C)cccc1B(O)O 169844678 RGEFKQADFIJDCW-UHFFFAOYSA-N 165.985 -0.317 50 50 ABGA in-vitro N#Cc1ccc(Cl)cc1B(O)O 169904040 JXIINQQPEHZQAY-UHFFFAOYSA-N 181.387 -0.109 50 50 ABGA OB(O)c1c(Cl)ccc2n[nH]cc12 1875389807 JOGLYPBOPLQGMQ-UHFFFAOYSA-N 196.402 -0.104 50 50 ABGA O=c1ccc2ccc(B(O)O)cc2o1 169997016 MUZVCJQIBNTECF-UHFFFAOYSA-N 189.963 -0.527 50 50 ABGA in-vitro COCc1csc(B(O)O)c1 2325903879 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