smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features OB(O)c1ccc(N2CCOCC2)nc1 169747631 FFPQELNXDVTLEW-UHFFFAOYSA-N 208.026 -1.402 50 50 BAGA in-vitro Cc1cc(S(N)(=O)=O)ccc1B(O)O 169811008 BSLOFCDDCNUTDZ-UHFFFAOYSA-N 215.039 -1.678 50 50 BAGA CCOCCN1C[C@@H](C(=O)NN)CC1=O 238271354 FLOBUCNWYACWEU-ZETCQYMHSA-N 215.253 -1.139 50 50 BAGA O=C1OC(=O)[C@@H]2[C@@H]3CS(=O)(=O)C[C@H]3[C@@H]12 100980656 XDMVLZSXVDCDKD-KVTDHHQDSA-N 216.214 -1.023 50 50 BAGA O=C(O)CCNC(=O)c1ccc(B(O)O)cc1 170010695 JNYSFQLWGQUIEV-UHFFFAOYSA-N 237.020 -1.429 50 50 BAGA O=C1OC(=O)[C@H]2[C@H]1[C@@H]1CS(=O)(=O)C[C@@H]12 103684687 XDMVLZSXVDCDKD-JGWLITMVSA-N 216.214 -1.023 50 50 BAGA CNS(=O)(=O)c1ccc(F)cc1B(O)O 169746374 XOWWQIHVQHBQAY-UHFFFAOYSA-N 233.029 -1.586 50 50 BAGA CS(=O)(=O)c1ccccc1B(O)O 169745305 MSQFFCRGQPVQRS-UHFFFAOYSA-N 200.024 -1.230 50 50 BAGA in-vitro O=C(O)c1ccc(B(O)O)cc1C(=O)O 169903993 WBFFWDAYSKENSS-UHFFFAOYSA-N 209.950 -1.237 50 50 BAGA OB(O)c1ccc(-c2ccc(B(O)O)cc2)cc1 169747015 SLHKDOGTVUCXKX-UHFFFAOYSA-N 241.848 -1.287 50 50 BAGA in-vivo O[B-](O)(O)c1cnn([C@H]2CCCCO2)c1 169747688 DMWAUOKOPZXLDT-MRVPVSSYSA-N 213.022 -1.295 50 50 BAGA CS(=O)(=O)c1ccc(B(O)O)cn1 169746261 OBWIRUCBMIYFBP-UHFFFAOYSA-N 201.012 -1.835 50 50 BAGA in-vitro O=C(O)COc1cc(F)cc(B(O)O)c1 169745702 AZIUTOMDLIOGHF-UHFFFAOYSA-N 213.957 -1.031 50 50 BAGA in-vitro CNS(=O)(=O)c1cc(B(O)O)c(F)cc1C 230554969 TVLAOHJKXCXTAI-UHFFFAOYSA-N 247.056 -1.278 50 50 BAGA CN1CCN(c2cncc(B(O)O)c2)CC1 169968804 FJDRTVXGKCZBAQ-UHFFFAOYSA-N 221.069 -1.487 50 50 BAGA in-vitro CNS(=O)(=O)c1ccc(B(O)O)cc1 169745345 DOQOQZHSIBBHMY-UHFFFAOYSA-N 215.039 -1.726 50 50 BAGA in-vitro CN(C)S(=O)(=O)Nc1cccc(B(O)O)c1 169745755 UHPQMFBFPJCLDX-UHFFFAOYSA-N 244.081 -1.415 50 50 BAGA in-vitro CCn1cnc(C(=O)NN)c1C(=O)NN 205732340 RBTZOGCNJJDSMK-UHFFFAOYSA-N 212.213 -1.890 50 50 BAGA O=C1OC(=O)[C@@H]2[C@@H]1O[C@@H]1C(=O)OC(=O)[C@H]12 100070472 JASHGAIOBWYPBI-LDHWTSMMSA-N 212.113 -1.847 50 50 BAGA CC(=O)N1CCN(c2ccc(B(O)O)cn2)CC1 169989530 HRJIKCYCCSDIFO-UHFFFAOYSA-N 249.079 -1.570 50 50 BAGA Cc1cc(B(O)O)cc(S(=O)(=O)N(C)C)c1 170001964 APJUXFXGERXXLB-UHFFFAOYSA-N 243.093 -1.075 50 50 BAGA Cn1c(CNC(=O)CCl)cc(=O)n(C)c1=O 30834179 ARXAXYDTBBORDC-UHFFFAOYSA-N 245.666 -1.061 50 50 BAGA N[C@@H]1CS(=O)(=O)[C@H](Br)[C@H]1O 250635690 FNMSLADHZKQCNA-UZBSEBFBSA-N 230.083 -1.176 50 50 BAGA in-vitro N[C@@H](Cc1ccc(B(O)O)cc1)C(=O)O 169743223 NFIVJOSXJDORSP-QMMMGPOBSA-N 209.010 -1.679 50 50 BAGA in-vitro CN(C)CCNC(=O)c1ccc(B(O)O)cc1 169745623 NCBZQXZOQQLCHQ-UHFFFAOYSA-N 236.080 -1.342 50 50 BAGA in-vitro CNS(=O)(=O)c1cc(B(O)O)ccc1F 1772572512 FRJHIRFRQHIFSW-UHFFFAOYSA-N 233.029 -1.586 50 50 BAGA OB(O)c1ccc2oc(B(O)O)cc2c1 169745041 LCHGNXMXVDSVAR-UHFFFAOYSA-N 205.771 -2.208 50 50 BAGA in-vitro CS(=O)(=O)N1CCC[C@@H]1C(=O)NN 2731957 CEROZIZCQIVHGW-RXMQYKEDSA-N 207.255 -1.600 50 50 BAGA CN1C[C@H](O)C2=C/C(=N/NC(N)=O)C(=O)C=C21 100029428 XSXCZNVKFKNLPR-TXEUWIOXSA-N 236.231 -1.290 50 50 BAGA world COCn1cc(B(O)O)c(=O)n(COC)c1=O 169746251 VBZNFSMDERGTIM-UHFFFAOYSA-N 244.012 -3.102 50 50 BAGA in-vitro OB(O)c1ccc(N2CCNCC2)nc1 169746254 JICCVPKLABRNMW-UHFFFAOYSA-N 207.042 -1.829 50 50 BAGA in-vitro O=C(c1ccccc1B(O)O)N1CCOCC1 169745657 DUXSLRIREWOQJJ-UHFFFAOYSA-N 235.048 -1.161 50 50 BAGA OB(O)c1cnn([C@H](B(O)O)c2ccccc2)c1 169934671 ABNQSLSZKRNDNJ-JTQLQIEISA-N 245.840 -1.836 50 50 BAGA in-vitro OB(O)c1csc(N2CCNCC2)n1 201123621 HRMOFHXMMSXMNI-UHFFFAOYSA-N 213.071 -1.768 50 50 BAGA OB(O)c1cccc(CN2CC[C@H](O)C2)c1 309461456 QYZLDJCYVSODME-NSHDSACASA-N 221.065 -1.067 50 50 BAGA CC(C)S(=O)(=O)Nc1cncc(B(O)O)c1 169993485 MDWDCWXPHADGLI-UHFFFAOYSA-N 244.081 -1.089 50 50 BAGA OB(O)c1ccccc1-c1ccccc1B(O)O 169747788 BVFQKUXUNMZSLZ-UHFFFAOYSA-N 241.848 -1.287 50 50 BAGA COC(=O)c1cc(B(O)O)cc(C(=O)OC)c1 169744826 WEJWFDLAZSVCJK-UHFFFAOYSA-N 238.004 -1.060 50 50 BAGA in-vitro CN(C)S(=O)(=O)c1cc(B(O)O)ccc1F 230555126 ZAOBAJDXTMHAKF-UHFFFAOYSA-N 247.056 -1.244 50 50 BAGA CCCOc1c(C)cc(B(O)O)cc1B(O)O 169745033 KDLKEDJHILYNCI-UHFFFAOYSA-N 237.857 -1.857 50 50 BAGA COCNC(=O)c1ccc(B(O)O)cc1 504096620 ZJGDGWBGNUPHAZ-UHFFFAOYSA-N 209.010 -1.300 50 50 BAGA OB(O)c1cc(B(O)O)cc(C(F)(F)F)c1 169745588 LLTMRPLEYJEOIJ-UHFFFAOYSA-N 233.747 -1.935 50 50 BAGA Cc1ccc(S(=O)(=O)N(C)C)c(B(O)O)c1 261494474 YJYXMOYWACGPLO-UHFFFAOYSA-N 243.093 -1.075 50 50 BAGA CS(=O)(=O)c1ncc(B(O)O)cn1 199808609 VBPSILPCFWYJRY-UHFFFAOYSA-N 202.000 -2.440 50 50 BAGA CN(C)C(=O)c1cc(B(O)O)cc([N+](=O)[O-])c1 169745487 CMEDBCAYQJUDQF-UHFFFAOYSA-N 238.008 -1.024 50 50 BAGA in-vitro O=C1NC(=O)[C@@H](c2ccc(B(O)O)cc2)N1 169846385 SBVZPLAXWAZNFU-SSDOTTSWSA-N 219.993 -1.753 50 50 BAGA OB(O)c1cc2sc(B(O)O)cc2s1 206933715 HFFDLFTXSSJBAT-UHFFFAOYSA-N 227.868 -1.678 50 50 BAGA O=C(CN[C@@H]1CCNC1)N1CCC[C@H]1B(O)O 169746730 DVJAMEIQRSHVKC-BDAKNGLRSA-N 241.100 -2.059 50 50 BAGA investigational CCOC(Cn1cc(B(O)O)cn1)OCC 169905216 QXGDFMFEWNRPLV-UHFFFAOYSA-N 228.057 -1.038 50 50 BAGA in-vitro NNC(=O)c1ccc(B(O)O)cc1Cl 169745332 GGSCPZNIWIKQJZ-UHFFFAOYSA-N 214.417 -1.377 50 50 BAGA in-vitro O=C(Nc1nnn[nH]1)c1ccc(B(O)O)cc1 169745764 TZPVIDINVJAZBC-UHFFFAOYSA-N 232.996 -1.868 50 50 BAGA CNS(=O)(=O)c1ccc(OC)c(B(O)O)c1 230548719 GQBAZKRXPRYRKI-UHFFFAOYSA-N 245.065 -1.717 50 50 BAGA O=Cc1c(OCC(=O)O)cccc1B(O)O 2325841247 LCVQXTBWAPOCOI-UHFFFAOYSA-N 223.977 -1.358 50 50 BAGA OB(O)c1ccnc(N2CCOCC2)c1 169794562 RRYCUINOUZEQSU-UHFFFAOYSA-N 208.026 -1.402 50 50 BAGA in-vitro CONC(=O)c1ccc(F)c(B(O)O)c1 169745766 BICVNGATAFRLPE-UHFFFAOYSA-N 212.973 -1.203 50 50 BAGA CCOCC(=O)N(N)[C@H]1CCS(=O)(=O)C1 757127574 LTACCVNSQYNLOG-ZETCQYMHSA-N 236.293 -1.088 50 50 BAGA COc1ncc(B(O)O)c(SC)n1 209792335 VQZMUPLZHQLGCT-UHFFFAOYSA-N 200.028 -1.113 50 50 BAGA NNC(=O)C1=N[C@@H]2C(=O)NNC(=O)[C@@H]2N=C1 2028121 CLEFYJJMCVVADB-DMTCNVIQSA-N 224.180 -3.600 50 50 BAGA NS(=O)(=O)c1cc(B(O)O)ccc1F 1772572514 HFVGRNYJQJLYAA-UHFFFAOYSA-N 219.002 -1.847 50 50 BAGA OB(O)c1cnc(N2CCOCC2)nc1 169747237 KFYQOIHLZBDFBU-UHFFFAOYSA-N 209.014 -2.007 50 50 BAGA in-vitro C#CCNC(=O)c1ccc(B(O)O)cc1 169935027 HKEKSLIZBDCTPR-UHFFFAOYSA-N 203.006 -1.271 50 50 BAGA in-vitro OB(O)c1cccnc1N1CCOCC1 169902934 SWDPLAALYQOCHB-UHFFFAOYSA-N 208.026 -1.402 50 50 BAGA in-vitro O=C1C[C@@H](c2ccc(B(O)O)cc2)NN1 169745407 INZPXASHKGKJCN-QMMMGPOBSA-N 206.010 -1.568 50 50 BAGA in-vitro O=S1(=O)CCCN1c1ccccc1B(O)O 170001746 DUBVGTMFMVCXNC-UHFFFAOYSA-N 241.077 -1.094 50 50 BAGA O=S(=O)(NCCO)c1cccc(B(O)O)c1 169745452 HSOUGLHWSPWPOM-UHFFFAOYSA-N 245.065 -2.363 50 50 BAGA in-vitro O=C1OC(=O)[C@H]2[C@@H]3CS(=O)(=O)C[C@H]3[C@@H]12 100980654 XDMVLZSXVDCDKD-KAZBKCHUSA-N 216.214 -1.023 50 50 BAGA NNC(=O)c1cccc(S(N)(=O)=O)c1 71773192 LQOXNXRLHXIPRE-UHFFFAOYSA-N 215.234 -1.063 50 50 BAGA O=S(=O)(NC1CC1)c1ccc(B(O)O)cc1 169745675 FUEGEHDCXRTJPN-UHFFFAOYSA-N 241.077 -1.193 50 50 BAGA in-vitro Cn1c(=O)n(C)c2cc(B(O)O)ccc21 394765272 ZXMMAFWVKSOOTD-UHFFFAOYSA-N 206.010 -1.443 50 50 BAGA O=C(O)c1ccc(B(O)O)cc1[N+](=O)[O-] 169747954 APQGIZKNZHGXTG-UHFFFAOYSA-N 210.938 -1.027 50 50 BAGA in-vitro CCOC(=O)C(=O)NCCC[Si](O)(O)O 675072451 GYBGGRJNYBROIH-UHFFFAOYSA-N 237.284 -2.028 50 50 BAGA CS(=O)(=O)c1ccc(B(O)O)c(F)c1 169743955 VTSHDQJNJIIHGS-UHFFFAOYSA-N 218.014 -1.091 50 50 BAGA CN(C)C(=O)c1cc(N)cc(B(O)O)c1 169978010 GCGGMSZPDVIZSM-UHFFFAOYSA-N 208.026 -1.350 50 50 BAGA CN(C)NC(=O)N[C@H]1CCS(=O)(=O)C1 4566306 IVUSDNVMRFZINE-LURJTMIESA-N 221.282 -1.051 50 50 BAGA CCNS(=O)(=O)c1ccc(B(O)O)cc1 169745541 YVKVLCDUDPTJEW-UHFFFAOYSA-N 229.066 -1.335 50 50 BAGA in-vitro C[N+]1=C2C=C(O)/C(=N/NC(N)=O)C=C2[C@H](O)C1 4578114 UFHKSFCFMSUCCY-SECBINFHSA-O 237.239 -1.150 50 50 BAGA NS(=O)(=O)c1cccc(B(O)O)c1 169745448 PMNJSWJJYWZLHU-UHFFFAOYSA-N 201.012 -1.986 50 50 BAGA in-vitro CC(C)[C@H](N)C(=O)N1CCC[C@H]1B(O)O 169746694 FKCMADOPPWWGNZ-YUMQZZPRSA-N 214.074 -1.027 50 50 BAGA investigational NC(=O)NNC(=S)NC(=O)C1CC1 952963706 JKYPRLYRVUQGCQ-UHFFFAOYSA-N 202.239 -1.030 50 50 BAGA NNC(=O)CCn1cnc([N+](=O)[O-])n1 2534375 ZAJYGKBYLBOYAL-UHFFFAOYSA-N 200.158 -1.434 50 50 BAGA OB(O)c1ccc(N2CCC(O)CC2)nc1 230525093 WLLOYNRZGPFMQM-UHFFFAOYSA-N 222.053 -1.278 50 50 BAGA COc1c(B(O)O)cc(B(O)O)c(F)c1F 1772572525 QNBRIPUELWMWKD-UHFFFAOYSA-N 231.756 -2.667 50 50 BAGA CCS(=O)(=O)c1ccc(B(O)O)cn1 169934135 NAHDBJRIKJSJMV-UHFFFAOYSA-N 215.039 -1.445 50 50 BAGA in-vitro CN(C)S(=O)(=O)c1cccc(B(O)O)c1 169745539 SGERXKCDWJPIOS-UHFFFAOYSA-N 229.066 -1.383 50 50 BAGA in-vitro Cc1nc(C)c(C(=O)NN)cc1C(=O)NN 297510 SDFQZXJRHYVPLF-UHFFFAOYSA-N 223.236 -1.095 50 50 BAGA O=C1OC(=O)[C@@H]2[C@@H]1O[C@@H]1C(=O)OC(=O)[C@@H]12 100070466 JASHGAIOBWYPBI-YCAKELIYSA-N 212.113 -1.847 50 50 BAGA O[B-](O)(O)c1cccc(C2OCCO2)n1 208328280 MUFBMYGWDODROX-UHFFFAOYSA-N 211.990 -1.750 50 50 BAGA in-vitro CC1(C)[C@]2(C)NC(=O)[C@](O)(C#N)[C@@]1(C#N)C(=O)N2 222371413 IEXHXQMNZVPCEH-GARJFASQSA-N 248.242 -1.247 50 50 BAGA NNC(=O)CNS(=O)(=O)c1ccccc1 431670 MTPQROAGBZYQKF-UHFFFAOYSA-N 229.261 -1.045 50 50 BAGA NC(=O)c1cc(B(O)O)cc([N+](=O)[O-])c1 169745511 XELWZRCEJDUTEC-UHFFFAOYSA-N 209.954 -1.627 50 50 BAGA in-vitro CS(=O)(=O)Nc1ccc(B(O)O)cc1 169743635 NDVJJEADFLTFCD-UHFFFAOYSA-N 215.039 -1.262 50 50 BAGA in-vitro CC(=O)O[C@@H]1C(=O)OC(=O)[C@H]1OC(C)=O 100047016 XAKITKDHDMPGPW-WDSKDSINSA-N 216.145 -1.067 50 50 BAGA in-vitro CN(C)CCNC(=O)c1cccc(B(O)O)c1 169745349 WGZQGJKHTBTXLD-UHFFFAOYSA-N 236.080 -1.342 50 50 BAGA in-vitro OB(O)c1cc(Cl)c(B(O)O)s1 169955487 HWPJMSMTYFBAGQ-UHFFFAOYSA-N 206.224 -2.239 50 50 BAGA CC(=O)NS(=O)(=O)c1ccc(B(O)O)cc1 169745154 CEUUKZMDDOCDTD-UHFFFAOYSA-N 243.049 -1.809 50 50 BAGA in-vitro NS(=O)(=O)Nc1ccc(B(O)O)cc1 307433768 QMGDIQUQLJYZNX-UHFFFAOYSA-N 216.027 -2.018 50 50 BAGA NNC(=O)C1=N[C@H]2C(=O)NNC(=O)[C@H]2N=C1 2028123 CLEFYJJMCVVADB-IUYQGCFVSA-N 224.180 -3.600 50 50 BAGA NNC(=O)[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO 16136235 DSSOAANULUSBGQ-QMKXCQHVSA-N 210.186 -4.588 50 50 BAGA O=C(CCl)NCCC[Si](O)(O)O 675072249 BFVCSVLKMPZQOL-UHFFFAOYSA-N 213.693 -1.353 50 50 BAGA CS(=O)(=O)c1ccc(B(O)O)cc1 169743263 VDUKDQTYMWUSAC-UHFFFAOYSA-N 200.024 -1.230 50 50 BAGA in-vitro OB(O)c1cc(B(O)O)c(Cl)cc1Cl 169746412 YCEOXNHPRQXRBD-UHFFFAOYSA-N 234.640 -1.647 50 50 BAGA in-vitro CN(C)NC(=O)N[C@@H]1CCS(=O)(=O)C1 3123322 IVUSDNVMRFZINE-ZCFIWIBFSA-N 221.282 -1.051 50 50 BAGA O=[Si](O)O[Si](O)(O)O[Si](=O)O 247651495 NPEYATQABYMBPM-UHFFFAOYSA-N 216.282 -3.745 50 50 BAGA fda Cc1cc(S(=O)(=O)N(C)C)ccc1B(O)O 169746115 KNKDICZGYPFTBK-UHFFFAOYSA-N 243.093 -1.075 50 50 BAGA NS(=O)(=O)c1cncc(B(O)O)c1 169993209 PEQGNKIHPKDYFA-UHFFFAOYSA-N 202.000 -2.591 50 50 BAGA in-vitro OCCO[Si]12OCCN(CCO1)CCO2 170172784 JVOMIJYJKIUFIK-UHFFFAOYSA-N 235.312 -1.190 50 50 BAGA COC(=O)c1ccc(B(O)O)c(C(=O)OC)c1 169934504 BUXKKSVFGRKVGD-UHFFFAOYSA-N 238.004 -1.060 50 50 BAGA O=C(NCCO)c1cccc(B(O)O)c1 169746677 HVVLWQCKVRJBBU-UHFFFAOYSA-N 209.010 -1.912 50 50 BAGA in-vitro COc1nc(OC)c(B(O)O)cc1B(O)O 169905242 GNVINSUSNLQQHZ-UHFFFAOYSA-N 226.790 -3.542 50 50 BAGA in-vitro OB(O)c1cccnc1N1CCNCC1 169978119 IABWFZHBFHJNQO-UHFFFAOYSA-N 207.042 -1.829 50 50 BAGA OB(O)c1ccnc(-c2cc(B(O)O)ccn2)c1 170022518 RYFWHZWLDULHHF-UHFFFAOYSA-N 243.824 -2.497 50 50 BAGA O=C(O)CNC(=O)c1ccc(B(O)O)cc1 199625507 SUAHEMDODCRDRG-UHFFFAOYSA-N 222.993 -1.819 50 50 BAGA O=C(NCCO)c1cc(B(O)O)ccc1F 169745625 AGNPGTVSVSPBEX-UHFFFAOYSA-N 227.000 -1.772 50 50 BAGA in-vitro O=S(=O)(O)CCC[Si](O)(O)O 195751428 WYTQXLFLAMZNNZ-UHFFFAOYSA-N 202.260 -1.820 50 50 BAGA COC(=O)C(=O)NCCC[Si](O)(O)O 675073498 YWUOOQIFQOLUEJ-UHFFFAOYSA-N 223.257 -2.419 50 50 BAGA O=C(c1cccc(B(O)O)c1)N1CCOCC1 169745563 DRZFURCXDFRZNR-UHFFFAOYSA-N 235.048 -1.161 50 50 BAGA in-vitro CN(C)C(=S)Oc1cncc(B(O)O)c1 170001338 SOPJOWIXWMCDMK-UHFFFAOYSA-N 226.066 -1.013 50 50 BAGA CC(=O)NCC(=O)N1CCC[C@@H]1B(O)O 196111319 UUOZISWTWURDGU-SSDOTTSWSA-N 214.030 -1.875 50 50 BAGA COC(=O)CC(=O)NCCC[Si](O)(O)O 675072237 BFCROCXACZMWMK-UHFFFAOYSA-N 237.284 -2.028 50 50 BAGA NC(=O)[C@@H](N)CSSC[C@H](N)C(N)=O 2560817 VNJHHWCVUXWKIO-IMJSIDKUSA-N 238.338 -2.007 50 50 BAGA in-vitro COc1ccc(S(=O)(=O)OC)cc1B(O)O 230548970 SOFAZGMUKULOQA-UHFFFAOYSA-N 246.049 -1.290 50 50 BAGA O=C(Nc1nnn[nH]1)c1cccc(B(O)O)c1 169745377 UJDHRNFJPORIIT-UHFFFAOYSA-N 232.996 -1.868 50 50 BAGA CNS(=O)(=O)c1ccc(B(O)O)c(C)c1 169746378 SIHCFZOHSIYOOL-UHFFFAOYSA-N 229.066 -1.417 50 50 BAGA CCOCC(=O)N(N)[C@@H]1CCS(=O)(=O)C1 757127570 LTACCVNSQYNLOG-SSDOTTSWSA-N 236.293 -1.088 50 50 BAGA Cc1ccc(S(=O)(=O)N(C)C)cc1B(O)O 169745658 ISKRAODOAGHCKV-UHFFFAOYSA-N 243.093 -1.075 50 50 BAGA in-vitro CNS(=O)(=O)c1cccc(B(O)O)c1 169745669 IUSXOPNERIFVRV-UHFFFAOYSA-N 215.039 -1.726 50 50 BAGA CN1C[C@@H](O)C2=C/C(=N\NC(N)=O)C(=O)C=C21 100040388 XSXCZNVKFKNLPR-TZZQWBKVSA-N 236.231 -1.290 50 50 BAGA world OB(O)c1ccc(N2CCOCC2)nc1F 309324566 PUIOCXIPPAMHSB-UHFFFAOYSA-N 226.016 -1.263 50 50 BAGA OB(O)c1cnn([C@@H](B(O)O)c2ccccc2)c1 169934667 ABNQSLSZKRNDNJ-SNVBAGLBSA-N 245.840 -1.836 50 50 BAGA in-vitro CN1CCN(c2ccc(B(O)O)cn2)CC1 169747422 YGZOCDXCJWHNQN-UHFFFAOYSA-N 221.069 -1.487 50 50 BAGA in-vitro CN1CCN(c2cccc(B(O)O)n2)CC1 169968736 RBELAUNQZAKKHW-UHFFFAOYSA-N 221.069 -1.487 50 50 BAGA NNC(=O)[C@H](O)[C@H](O)[C@H](O)[C@@H](O)CO 216233031 DSSOAANULUSBGQ-NRXMZTRTSA-N 210.186 -4.588 50 50 BAGA CC(=O)O[C@@H]1C(=O)OC(=O)[C@@H]1OC(C)=O 100047012 XAKITKDHDMPGPW-OLQVQODUSA-N 216.145 -1.067 50 50 BAGA in-vitro CS(=O)(=O)Nc1cccc(B(O)O)c1 169743664 XUIQQIRLFMCWLN-UHFFFAOYSA-N 215.039 -1.262 50 50 BAGA in-vitro CCNS(=O)(=O)c1cccc(B(O)O)c1 169744004 VPQGUZSIKYKFNS-UHFFFAOYSA-N 229.066 -1.335 50 50 BAGA in-vitro CNC(=O)c1cc(B(O)O)cc([N+](=O)[O-])c1 169743918 USCXJPBVVDHSKA-UHFFFAOYSA-N 223.981 -1.366 50 50 BAGA in-vitro OB(O)c1ccnc(N2CCOCC2)c1F 169934996 KKEINPUABSQWEE-UHFFFAOYSA-N 226.016 -1.263 50 50 BAGA OB(O)c1c(F)c(F)c(B(O)O)c(F)c1F 309219833 XFMHMVKSMSUKNF-UHFFFAOYSA-N 237.710 -2.397 50 50 BAGA OB(O)c1cc(N2CCOCC2)ncc1F 309333825 URWZPKPUBFUIIQ-UHFFFAOYSA-N 226.016 -1.263 50 50 BAGA CON(C)C(=O)c1cccc(B(O)O)c1 169743998 IYZAWDLXZOCCSB-UHFFFAOYSA-N 209.010 -1.000 50 50 BAGA in-vitro NS(=O)(=O)c1ccc(B(O)O)cc1 169745616 AKSXQPCIAOIJGP-UHFFFAOYSA-N 201.012 -1.986 50 50 BAGA in-vitro NNC(=O)CN1CCN(c2ncccn2)CC1 96320087 VRYDLMFELWBDSY-UHFFFAOYSA-N 236.279 -1.412 50 50 BAGA in-vitro CNS(=O)(=O)c1ccccc1B(O)O 169794598 AZXVSPOMIIRTDT-UHFFFAOYSA-N 215.039 -1.726 50 50 BAGA in-vitro N[C@@H]1CS(=O)(=O)[C@H](Br)[C@@H]1O 13301146 FNMSLADHZKQCNA-JJYYJPOSSA-N 230.083 -1.176 50 50 BAGA in-vitro NNC(=O)[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO 216232985 DSSOAANULUSBGQ-TXICZTDVSA-N 210.186 -4.588 50 50 BAGA CN1C[C@@H](O)C2=C/C(=N/NC(N)=O)C(=O)C=C21 100045148 XSXCZNVKFKNLPR-DKBJHAQFSA-N 236.231 -1.290 50 50 BAGA world CN(C)S(=O)(=O)c1ccc(B(O)O)cc1F 230551823 JGUCXSLEWPAZKE-UHFFFAOYSA-N 247.056 -1.244 50 50 BAGA CON(C)C(=O)c1ccc(B(O)O)cc1 169743916 PISDDPDFGJLSQA-UHFFFAOYSA-N 209.010 -1.000 50 50 BAGA in-vitro CN(C)CCNc1cc(B(O)O)ccn1 230530403 OZLRRMJAYDVTTE-UHFFFAOYSA-N 209.058 -1.265 50 50 BAGA OB(O)c1ccc(F)c(-c2nnn[nH]2)c1 169743634 FELFJHZMQYCKPT-UHFFFAOYSA-N 207.961 -1.314 50 50 BAGA CONC(=O)c1ccc(B(O)O)cc1F 169745436 RZYYOLUTTNFCAU-UHFFFAOYSA-N 212.973 -1.203 50 50 BAGA in-vitro CNC(=S)NNC(=O)[C@@H]1CCC(=O)N1 1331827214 QKCUKMRIRFPMSQ-BYPYZUCNSA-N 216.266 -1.610 50 50 BAGA CS(=O)(=O)c1ccc(F)cc1B(O)O 170001551 KZGPWUZFZLJLEV-UHFFFAOYSA-N 218.014 -1.091 50 50 BAGA CCN1CCN(c2ncc(B(O)O)cn2)CC1 230544509 CQGKVPNBPCFPJJ-UHFFFAOYSA-N 236.084 -1.702 50 50 BAGA COC(=O)COc1ccc(B(O)O)cc1 169806773 PPRYMJXGSLSVJQ-UHFFFAOYSA-N 209.994 -1.082 50 50 BAGA in-vitro CC/C(NNCCO)=C(/C#N)C(=O)NC(N)=O 252499606 SCSDMMLBHFKDAH-VOTSOKGWSA-N 241.251 -1.545 50 50 BAGA O=C(NNC(=O)OCCO)OCCO 1670595 SOIDHDNBYXSLNJ-UHFFFAOYSA-N 208.170 -1.662 50 50 BAGA O=C(Nc1nc[nH]n1)c1cccc(B(O)O)c1 169745371 JXMAEIBAKRAGBL-UHFFFAOYSA-N 232.008 -1.263 50 50 BAGA COC(=O)c1ccc(B(O)O)nc1OC 170019547 DLIYYRMDTUZMNX-UHFFFAOYSA-N 210.982 -1.443 50 50 BAGA OB(O)c1ccc(CN2CCNCC2)cc1 169920241 MXWIZZUTFZHLIB-UHFFFAOYSA-N 220.081 -1.228 50 50 BAGA CN1C[C@H](O)C2=C/C(=N\NC(N)=O)C(=O)C=C21 100029423 XSXCZNVKFKNLPR-DAVUEJTQSA-N 236.231 -1.290 50 50 BAGA world NC[C@@H](F)C(=O)N1CC[C@@H](B(O)O)C1 1875382303 XMRSQFIEERQFIC-PHDIDXHHSA-N 204.010 -1.642 50 50 BAGA NC(=O)C(=O)N/N=C(\N)Cn1cncn1 2555664 JCPSSMPGQJNCKC-UHFFFAOYSA-N 211.185 -2.848 50 50 BAGA CN(C)S(=O)(=O)n1nccc1B(O)O 169988579 VUCGKMPCSGUOBC-UHFFFAOYSA-N 219.031 -2.783 50 50 BAGA CONS(=O)(=O)c1cccc(B(O)O)c1 230536144 ASJYQZKDXCIXAV-UHFFFAOYSA-N 231.038 -1.794 50 50 BAGA O=C(O)/C=C/C(=O)NNC(=O)/C=C/C(=O)O 5409906 CUGSOUHYELLBJI-ZPUQHVIOSA-N 228.160 -1.585 50 50 BAGA COc1nc(SC)ncc1B(O)O 209792284 CNITUHWYVVJCSE-UHFFFAOYSA-N 200.028 -1.113 50 50 BAGA CN1CCN(C(=O)c2cccc(B(O)O)c2)CC1 169745024 ZYOWILPDXWVMDO-UHFFFAOYSA-N 248.091 -1.246 50 50 BAGA CNC(=S)NNC(=O)[C@H]1CCC(=O)N1 1331827215 QKCUKMRIRFPMSQ-SCSAIBSYSA-N 216.266 -1.610 50 50 BAGA COCCNC(=O)c1ccc(B(O)O)cc1 169745158 QRGVHOKYRIQQTN-UHFFFAOYSA-N 223.037 -1.257 50 50 BAGA in-vitro O=C(O)c1cccc([N+](=O)[O-])c1B(O)O 725346821 ZLQZAHGKKYEVLP-UHFFFAOYSA-N 210.938 -1.027 50 50 BAGA CS(=O)(=O)Nc1ccccc1B(O)O 169743941 RPRMOEFOTPSWBO-UHFFFAOYSA-N 215.039 -1.262 50 50 BAGA in-vitro O=C1OC(=O)[C@@H]2[C@H]1[C@@H]1CS(=O)(=O)C[C@@H]12 16051227 XDMVLZSXVDCDKD-FBXFSONDSA-N 216.214 -1.023 50 50 BAGA N=C(NNC(=O)C(N)=O)c1ccccn1 4052916 ZRDTXMRVTTUPKX-UHFFFAOYSA-N 207.193 -1.487 50 50 BAGA O=S(=O)(NC1CC1)c1cccc(B(O)O)c1 169745301 WIZSPBQIRRAOMO-UHFFFAOYSA-N 241.077 -1.193 50 50 BAGA in-vitro OB(O)c1ccc2cc(B(O)O)ccc2c1 200492923 LUKFOICJEVFQSR-UHFFFAOYSA-N 215.810 -1.801 50 50 BAGA OB(O)c1ccc(N2CCNCC2)cc1 169834243 WEKCEGUGFNLQIA-UHFFFAOYSA-N 206.054 -1.224 50 50 BAGA in-vitro CN1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 169743947 ILNVLRZFTJYYCF-UHFFFAOYSA-N 248.091 -1.246 50 50 BAGA N[C@H](Cc1ccc(B(O)O)cc1F)C(=O)O 195751898 GGGVVBGRTWMSPX-MRVPVSSYSA-N 227.000 -1.540 50 50 BAGA C=CC(=O)Nc1ccc(CO)c(B(O)O)c1 169904797 SIPPDIZUHBQKKL-UHFFFAOYSA-N 221.021 -1.017 50 50 BAGA Cc1nc(N2CCNCC2)ccc1B(O)O 1772572487 FFHAEFJIRZURPS-UHFFFAOYSA-N 221.069 -1.521 50 50 BAGA OB(O)c1ccc(CN2CCOCC2)nc1 169809952 PSDSQGMVBVHHCL-UHFFFAOYSA-N 222.053 -1.406 50 50 BAGA in-vitro COCCNC(=S)NNC(=O)C(C)(C)O 2851380 CECVNXAQGMABOO-UHFFFAOYSA-N 235.309 -1.101 50 50 BAGA NNC(=O)Cn1c(=O)[nH]c2ccccc2c1=O 41098090 BBIUTKWWDHKWBT-UHFFFAOYSA-N 234.215 -1.320 50 50 BAGA OB(O)c1cc(F)cc(CN2CCNCC2)c1 230526248 PBLFDOIWDPCBTM-UHFFFAOYSA-N 238.071 -1.089 50 50 BAGA COc1cc(B(O)O)ccc1OCCO 204246074 KABGEVCSKHNYQK-UHFFFAOYSA-N 212.010 -1.254 50 50 BAGA O=C(O)c1ccc(B(O)O)c([N+](=O)[O-])c1 169745525 APBXPKJLXBBPQJ-UHFFFAOYSA-N 210.938 -1.027 50 50 BAGA CNS(=O)(=O)c1c(C)cc(B(O)O)cc1C 230540684 QGIUBYNIRFZDBP-UHFFFAOYSA-N 243.093 -1.109 50 50 BAGA NS(=O)(=O)c1ccccc1B(O)O 169904740 XFORZWBCSDBOGL-UHFFFAOYSA-N 201.012 -1.986 50 50 BAGA in-vitro Cc1cc(B(O)O)cnc1N1CCOCC1 169744964 PTYCDSJIQDOWIQ-UHFFFAOYSA-N 222.053 -1.094 50 50 BAGA in-vitro COC(=O)CNC(=O)c1ccc(B(O)O)cc1 169745374 YKJICAYIUOGMGH-UHFFFAOYSA-N 237.020 -1.731 50 50 BAGA NC[C@@H](F)C(=O)N1CC[C@H](B(O)O)C1 1875382302 XMRSQFIEERQFIC-NTSWFWBYSA-N 204.010 -1.642 50 50 BAGA N[C@@H]1CS(=O)(=O)[C@@H](Br)[C@@H]1O 21953486 FNMSLADHZKQCNA-BXXZVTAOSA-N 230.083 -1.176 50 50 BAGA in-vitro NNC(=O)C1=N[C@@H]2C(=O)NNC(=O)[C@H]2N=C1 2028125 CLEFYJJMCVVADB-IMJSIDKUSA-N 224.180 -3.600 50 50 BAGA CNS(=O)(=O)c1ccc(B(O)O)cc1F 230551424 MPYRCSBAWGPDQJ-UHFFFAOYSA-N 233.029 -1.586 50 50 BAGA Cc1cc(B(O)O)ccc1S(=O)(=O)N(C)C 1772572583 ZCMUUHUCUDZNOK-UHFFFAOYSA-N 243.093 -1.075 50 50 BAGA COc1ccc(B(O)O)cc1S(N)(=O)=O 1772572495 AELBHUCHZATZRP-UHFFFAOYSA-N 231.038 -1.978 50 50 BAGA Cc1cc(B(O)O)ccc1S(=O)(=O)O 1772572530 UQVJBQCGTVUAIR-UHFFFAOYSA-N 216.023 -1.078 50 50 BAGA O=C(NCCO)c1ccc(B(O)O)cc1 169745435 UEHHULJBSYEFDG-UHFFFAOYSA-N 209.010 -1.912 50 50 BAGA in-vitro O=C(O)CCNC(=O)c1cccc(B(O)O)c1 170010680 WIMYZOMWTVOALI-UHFFFAOYSA-N 237.020 -1.429 50 50 BAGA O=C(O)c1cc(B(O)O)cc([N+](=O)[O-])c1 169743651 WNIFCLWDGNHGMX-UHFFFAOYSA-N 210.938 -1.027 50 50 BAGA CCNS(=O)(=O)c1cc(B(O)O)ccc1F 1772572513 HCMVPQHIWCIBNI-UHFFFAOYSA-N 247.056 -1.196 50 50 BAGA O=C(O)c1cc(B(O)O)cc(C(=O)O)c1 169747933 LCDXMCXNZRXUDH-UHFFFAOYSA-N 209.950 -1.237 50 50 BAGA in-vitro CS(=O)(=O)N1CCC[C@H]1C(=O)NN 2552505 CEROZIZCQIVHGW-YFKPBYRVSA-N 207.255 -1.600 50 50 BAGA CONC(=O)c1cc(B(O)O)ccc1F 169745567 OJNRHYRWHLOKBF-UHFFFAOYSA-N 212.973 -1.203 50 50 BAGA in-vitro COCC(=O)N(N)[C@H]1CCS(=O)(=O)C1 757127972 OBCNVWPNBOOVKN-LURJTMIESA-N 222.266 -1.478 50 50 BAGA CS(=O)(=O)Oc1ccc(B(O)O)cc1 169807154 OCARLQIMSVDSQE-UHFFFAOYSA-N 216.023 -1.295 50 50 BAGA in-vitro COCCOc1cc(B(O)O)c(F)cn1 169951658 HUXCOQTYJCGMST-UHFFFAOYSA-N 214.989 -1.074 50 50 BAGA CS(=O)(=O)N1CCC[C@@H](C(=O)NN)C1 2537669 BRRAJOZHRMFWDD-ZCFIWIBFSA-N 221.282 -1.352 50 50 BAGA in-vitro CON(C)C(=O)c1cc(N)cc(B(O)O)c1 169978023 ZNKCWJPZLIOMFJ-UHFFFAOYSA-N 224.025 -1.418 50 50 BAGA CS(=O)(=O)NCc1ccc(B(O)O)cc1 169744867 DFNWPOUFTMAIGJ-UHFFFAOYSA-N 229.066 -1.584 50 50 BAGA in-vitro CCNC(=O)c1cc(N)cc(B(O)O)c1 169978005 KVCFGNQOLPQDAO-UHFFFAOYSA-N 208.026 -1.302 50 50 BAGA NNC(=O)C1=N[C@H]2C(=O)NNC(=O)[C@@H]2N=C1 2028119 CLEFYJJMCVVADB-QWWZWVQMSA-N 224.180 -3.600 50 50 BAGA CNS(=O)(=O)c1cc(B(O)O)ccc1OC 230548322 VMBGVCCSBNIGBZ-UHFFFAOYSA-N 245.065 -1.717 50 50 BAGA CS(=O)(=O)N1CCC[C@H](C(=O)NN)C1 4294094 BRRAJOZHRMFWDD-LURJTMIESA-N 221.282 -1.352 50 50 BAGA in-vitro OB(O)c1ccc(CN2CC(O)C2)cc1 170009067 UCNXTZMFJCEQJK-UHFFFAOYSA-N 207.038 -1.457 50 50 BAGA in-vitro COC(=O)COc1cccc(B(O)O)c1 169935208 VSRAAFKSKNZJMC-UHFFFAOYSA-N 209.994 -1.082 50 50 BAGA Nc1ncc(B(O)O)c(C(F)(F)F)n1 169988833 JBMGOFGRYOYOSW-UHFFFAOYSA-N 206.920 -1.243 50 50 BAGA COc1cc(B(O)O)ccc1S(C)(=O)=O 170001700 SRUUTBYHOBCTHT-UHFFFAOYSA-N 230.050 -1.222 50 50 BAGA Cc1ccc(S(N)(=O)=O)c(B(O)O)c1 261494053 OQZOPXKIHAVLAS-UHFFFAOYSA-N 215.039 -1.678 50 50 BAGA O[B-](O)(O)c1cnn([C@@H]2CCCCO2)c1 169747687 DMWAUOKOPZXLDT-QMMMGPOBSA-N 213.022 -1.295 50 50 BAGA O=S(=O)(O)c1ccc(B(O)O)cc1 169745583 LCPDRGMZQSQOCQ-UHFFFAOYSA-N 201.996 -1.387 50 50 BAGA in-vitro CS(=O)(=O)c1cncc(B(O)O)c1 169744843 YGXNPQDXWDCWET-UHFFFAOYSA-N 201.012 -1.835 50 50 BAGA in-vitro O=C1NC(=O)[C@H](c2ccc(B(O)O)cc2)N1 169846387 SBVZPLAXWAZNFU-ZETCQYMHSA-N 219.993 -1.753 50 50 BAGA COCC(=O)N(N)[C@@H]1CCS(=O)(=O)C1 757127973 OBCNVWPNBOOVKN-ZCFIWIBFSA-N 222.266 -1.478 50 50 BAGA NC[C@H](F)C(=O)N1CC[C@H](B(O)O)C1 1875382305 XMRSQFIEERQFIC-WDSKDSINSA-N 204.010 -1.642 50 50 BAGA CN1CCN(c2ncc(B(O)O)cn2)CC1 169794745 FEYYRRPONOKNQL-UHFFFAOYSA-N 222.057 -2.092 50 50 BAGA in-vitro CCn1cc(NC=O)c(C(=O)NNC=O)n1 2802450 RHZXADVZMSDDBG-UHFFFAOYSA-N 225.208 -1.138 50 50 BAGA N[C@@H](CSS(=O)(=O)O)C(=O)O 3995568 NOKPBJYHPHHWAN-REOHCLBHSA-N 201.225 -1.066 50 50 BAGA endogenous,in-man O=C(NCCCO)c1ccc(B(O)O)cc1 169745683 VDMQHVJGIAQUHA-UHFFFAOYSA-N 223.037 -1.521 50 50 BAGA in-vitro CCS(=O)(=O)NCc1ccc(B(O)O)cc1 204021767 QHCYTDXDVUMVMA-UHFFFAOYSA-N 243.093 -1.194 50 50 BAGA O=S(=O)(NCCO)c1ccc(B(O)O)cc1 169745517 OQYVRTONAFVNJR-UHFFFAOYSA-N 245.065 -2.363 50 50 BAGA in-vitro OB(O)c1cncc(N2CCOCC2)c1 169992087 HRCZUJKYYSOZQT-UHFFFAOYSA-N 208.026 -1.402 50 50 BAGA CN(C)S(=O)(=O)c1ccccc1B(O)O 169747960 GCHDOHKUPJUTCB-UHFFFAOYSA-N 229.066 -1.383 50 50 BAGA in-vitro COC(=O)C1=C[C@H](O)[C@H](O)[C@H](O)[C@H]1Cl 138169921 AEDMWQPFIPNFCS-ZTYPAOSTSA-N 222.624 -1.211 50 50 BAGA CNCC(=O)Nc1ccc(B(O)O)cc1 221605832 NDZHXDWMVFHFHI-UHFFFAOYSA-N 208.026 -1.476 50 50 BAGA CN(C)S(=O)(=O)n1cccc1B(O)O 169988590 GLSNODSWDWHGNP-UHFFFAOYSA-N 218.043 -2.178 50 50 BAGA CC(=O)O[C@H]1C(=O)OC(=O)[C@@H]1OC(C)=O 44117885 XAKITKDHDMPGPW-PHDIDXHHSA-N 216.145 -1.067 50 50 BAGA in-vitro Nc1cc(B(O)O)cc(C(=O)NC2CC2)c1 169978030 FKFCXZDGUCEVJV-UHFFFAOYSA-N 220.037 -1.159 50 50 BAGA in-vitro CS(=O)(=O)c1cccc(B(O)O)c1 169743663 HZFFUMBZBGETES-UHFFFAOYSA-N 200.024 -1.230 50 50 BAGA in-vitro NNC(=O)c1ccc(C(=O)NN)c(O)c1O 2029300 KFNPZBDEAVXFHD-UHFFFAOYSA-N 226.192 -1.695 50 50 BAGA OB(O)c1cc(B(O)O)cc(B(O)O)c1 196558546 NAIUYXOLMQYLIG-UHFFFAOYSA-N 209.568 -5.274 50 50 BAGA in-vitro CCNS(=O)(=O)c1ccc(B(O)O)c(C)c1 169746372 QIEIERVEUKRVNM-UHFFFAOYSA-N 243.093 -1.027 50 50 BAGA O=S1(=O)CCCN1c1cccc(B(O)O)c1 170001752 RWHVZNQSDFKSQQ-UHFFFAOYSA-N 241.077 -1.094 50 50 BAGA NC(=S)NNC(=O)c1ccc(B(O)O)cc1 169745105 NVXNXTLWXKMYHB-UHFFFAOYSA-N 239.065 -2.156 50 50 BAGA in-vitro CS(=O)(=O)N1CCC(C(=O)NN)CC1 268501 YUZFNWKJVZEGQF-UHFFFAOYSA-N 221.282 -1.352 50 50 BAGA in-vitro CN(C)c1nc(N(C)C)nc(N(N)C(N)=O)n1 1446097 SCKBNWZGJCHJBX-UHFFFAOYSA-N 240.271 -1.238 50 50 BAGA OC[C@@]1(OCCCl)OC[C@@H](O)[C@@H](O)[C@@H]1O 4285394 UNKSWTOXDXZLNE-OOJXKGFFSA-N 242.655 -1.957 50 50 BAGA in-vitro N[C@H](Cc1ccc(B(O)O)cc1)C(=O)O 169743222 NFIVJOSXJDORSP-MRVPVSSYSA-N 209.010 -1.679 50 50 BAGA in-vitro COC(=O)c1ccc(B(O)O)cc1C(=O)OC 169746238 SLHNUZKSZARZLW-UHFFFAOYSA-N 238.004 -1.060 50 50 BAGA Cc1ccc(B(O)O)cc1S(N)(=O)=O 219561457 DHOXRGKPHBDRNU-UHFFFAOYSA-N 215.039 -1.678 50 50 BAGA CN(CCO)Cc1cccc(B(O)O)c1 238311939 WMHOCQLDWDPEBY-UHFFFAOYSA-N 209.054 -1.210 50 50 BAGA O=C1OC(=O)[C@@H]2[C@@H]1O[C@H]1C(=O)OC(=O)[C@@H]21 252364464 JASHGAIOBWYPBI-LLEIAEIESA-N 212.113 -1.847 50 50 BAGA CS(=O)(=O)c1ccc(B(O)O)cc1F 169746535 RJKFNKNDTBNEST-UHFFFAOYSA-N 218.014 -1.091 50 50 BAGA in-vitro O=S1(=O)CCCN1c1ccc(B(O)O)cc1 170001734 DJRFEMBBOLGQFX-UHFFFAOYSA-N 241.077 -1.094 50 50 BAGA O=C(O)CNC(=O)CNC(=O)CCl 1575547 NCOXSGKCQMMTRX-UHFFFAOYSA-N 208.601 -1.458 50 50 BAGA in-vitro CC(C)Oc1ccc(B(O)O)cc1B(O)O 169745095 VRCVZJKLYXTQEY-UHFFFAOYSA-N 223.830 -2.167 50 50 BAGA in-vitro O=C1C[C@H](c2ccc(B(O)O)cc2)NN1 169745408 INZPXASHKGKJCN-MRVPVSSYSA-N 206.010 -1.568 50 50 BAGA in-vitro CS(=O)(=O)c1ccc(B(O)O)c([N+](=O)[O-])c1 575442756 VOUHIAQGTGBDNQ-UHFFFAOYSA-N 245.021 -1.322 50 50 BAGA O=C1C=CC(=O)N1c1cccc(B(O)O)c1 197620296 VRWRNFAUYWXDKX-UHFFFAOYSA-N 216.989 -1.204 50 50 BAGA in-vitro O=C(Nn1cnnc1)c1ccc(B(O)O)cc1 169743977 OKKMBYDKVRSCFN-UHFFFAOYSA-N 232.008 -1.658 50 50 BAGA CCOCCN1C[C@H](C(=O)NN)CC1=O 238271384 FLOBUCNWYACWEU-SSDOTTSWSA-N 215.253 -1.139 50 50 BAGA NNC(=O)[C@H](O)[C@H](O)[C@@H](O)[C@H](O)CO 216233070 DSSOAANULUSBGQ-KKQCNMDGSA-N 210.186 -4.588 50 50 BAGA N#CCNC(=O)c1ccc(B(O)O)cc1 217927274 XHRYRSBKDZTAEB-UHFFFAOYSA-N 203.994 -1.380 50 50 BAGA COCCOc1ccc(B(O)O)c(F)n1 169746331 WDEHUASTXYZYKZ-UHFFFAOYSA-N 214.989 -1.074 50 50 BAGA in-vitro OB(O)c1cnn(-c2cc(Cl)ncn2)c1 169903823 FINXKFQNFLSJBL-UHFFFAOYSA-N 224.416 -1.005 50 50 BAGA in-vitro O=C(NCCO)c1ccc(B(O)O)cc1F 169745394 RNKVHZGEFMLELU-UHFFFAOYSA-N 227.000 -1.772 50 50 BAGA in-vitro OB(O)c1cccc(CN2CC[C@@H](O)C2)c1 309461453 QYZLDJCYVSODME-LLVKDONJSA-N 221.065 -1.067 50 50 BAGA COCCNC(=O)c1cccc(B(O)O)c1 169745608 QVHVUTWTDDOULZ-UHFFFAOYSA-N 223.037 -1.257 50 50 BAGA in-vitro Cc1ccc(B(O)O)cc1S(=O)(=O)N(C)C 230537351 RSLWTSMRYCPXGI-UHFFFAOYSA-N 243.093 -1.075 50 50 BAGA C[N+]1=C2C=C(O)/C(=N/NC(N)=O)C=C2[C@@H](O)C1 4578118 UFHKSFCFMSUCCY-VIFPVBQESA-O 237.239 -1.150 50 50 BAGA CS(=O)(=O)c1ccc(B(O)O)cc1C(=O)O 675050524 MHOIUMMNSZWELN-UHFFFAOYSA-N 244.033 -1.532 50 50 BAGA CS(=O)(=O)NCc1cccc(B(O)O)c1 169744866 FJSWJJOLFPIDER-UHFFFAOYSA-N 229.066 -1.584 50 50 BAGA in-vitro O=C1OC(=O)[C@@H]2[C@@H]1O[C@H]1C(=O)OC(=O)[C@H]21 100403829 JASHGAIOBWYPBI-GNSDDBTRSA-N 212.113 -1.847 50 50 BAGA O=S(=O)(c1ccc(B(O)O)cc1)N1CCC1 169745098 IOGLONDWRZETTA-UHFFFAOYSA-N 241.077 -1.239 50 50 BAGA in-vitro CS(=O)(=O)c1ccc(F)c(B(O)O)c1 238385328 QXRAJFIMZXAINO-UHFFFAOYSA-N 218.014 -1.091 50 50 BAGA OB(O)c1cc(F)c(B(O)O)cc1F 169935305 CSOLBHLZNAGMMP-UHFFFAOYSA-N 201.730 -2.676 50 50 BAGA in-vitro NNC(=O)c1ccc(S(N)(=O)=O)cc1 1556993 JIDAHYHCQJXNTD-UHFFFAOYSA-N 215.234 -1.063 50 50 BAGA in-vivo NC[C@H](F)C(=O)N1CC[C@@H](B(O)O)C1 1875382304 XMRSQFIEERQFIC-RITPCOANSA-N 204.010 -1.642 50 50 BAGA N[C@@H](Cc1ccc(B(O)O)cc1F)C(=O)O 195751897 GGGVVBGRTWMSPX-QMMMGPOBSA-N 227.000 -1.540 50 50 BAGA COC(=O)C1=C[C@H](O)[C@H](O)[C@@H](O)[C@H]1Cl 139255453 AEDMWQPFIPNFCS-AXMZGBSTSA-N 222.624 -1.211 50 50 BAGA Cn1nnc2cc(C#N)cc(B(O)O)c21 170001476 PFXNXCQCWUAJNR-UHFFFAOYSA-N 201.982 -1.480 50 50 BAGA CN(C)S(=O)(=O)c1ccc(B(O)O)cc1 169745627 VVUGXBSXXJTVDS-UHFFFAOYSA-N 229.066 -1.383 50 50 BAGA in-vitro COc1ccn2c(B(O)O)cnc2c1C#N 170001487 RBGWKTLEAHVPQE-UHFFFAOYSA-N 216.993 -1.106 50 50 BAGA N[C@@H]1CS(=O)(=O)[C@@H](Br)[C@H]1O 34651253 FNMSLADHZKQCNA-FLRLBIABSA-N 230.083 -1.176 50 50 BAGA in-vitro CS(=O)(=O)c1cc(F)ccc1B(O)O 169934797 KAVXXYBTIPXTRQ-UHFFFAOYSA-N 218.014 -1.091 50 50 BAGA O=C(c1ccc(B(O)O)cc1)N1CCOCC1 169743766 KMNLIQJXZPBCDU-UHFFFAOYSA-N 235.048 -1.161 50 50 BAGA NNC(=O)CCc1ccc(B(O)O)cc1 169809324 CHMVRIUROYAQAT-UHFFFAOYSA-N 208.026 -1.711 50 50 BAGA in-vitro COC(=O)c1cc2c(c(B(O)O)c1)OCO2 390825303 WKSAEGYUZIGPAG-UHFFFAOYSA-N 223.977 -1.118 50 50 BAGA