smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features O=C(NNC(=O)[C@H]1COCCO1)c1ccc(F)cc1[N+](=O)[O-] 268090869 AENYBCGWIXFLTN-SNVBAGLBSA-N 313.241 -0.090 50 10 DBGE O=S(=O)(Nc1ccc(Cl)c(B(O)O)c1)c1cnc[nH]1 404892041 QXNODFDYIUXWQW-UHFFFAOYSA-N 301.520 -0.456 50 10 DBGE NNC(=O)C[S@](=O)CCCN1C(=O)c2ccccc2C1=O 586310647 SDUOJGYLXMQKRG-OAQYLSRUSA-N 309.347 -0.589 50 10 DBGE CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)[C@@H](C)Br 696830145 NTEJETZOLKBTGG-DSYKOEDSSA-N 300.174 -0.302 50 10 DBGE CS(=O)(=O)CS(=O)(=O)NC[C@]1(CCl)CCCOC1 700892212 ABJXZGGMJBDUIF-SECBINFHSA-N 319.832 -0.057 50 10 DBGE COCCOc1ccccc1C(=O)NNC(=O)c1cnn[nH]1 729457487 NUYFERMCPALATP-UHFFFAOYSA-N 305.294 -0.095 50 10 DBGE C[C@@H]1Oc2c(cccc2C(=O)NNC(=O)c2cnn[nH]2)NC1=O 729458180 MACMGMLLLDJKCR-LURJTMIESA-N 316.277 -0.401 50 10 DBGE CN(C)C(=O)c1ccc(C(=O)NNC(=O)[C@H]2COCCO2)cc1 744644985 ZLMJLKHORPCODQ-GFCCVEGCSA-N 321.333 -0.435 50 10 DBGE CC(C)OC(=O)[C@@H](C)CNC(=O)NNC(=O)[C@@H]1COCCO1 745905429 JKVYMAVAKZLSBM-UWVGGRQHSA-N 317.342 -0.680 50 10 DBGE O=C(Cc1ccccc1F)NNC(=O)C[C@@H]1NC(=O)NC1=O 764200657 YURATLGCPRULSO-VIFPVBQESA-N 308.269 -0.886 50 10 DBGE Cc1cc(C)n(CC(=O)NNC(=O)[C@@H](C)n2cnc(C#N)n2)n1 798835211 UHZQLQSVYIGRPE-SNVBAGLBSA-N 316.325 -0.628 50 10 DBGE Cn1cc(C(=O)NNC(=O)[C@@H]2COCCO2)c(C2CCC2)n1 819886615 VRGXSIMRPOCLEX-NSHDSACASA-N 308.338 -0.136 50 10 DBGE C[C@H]1CCC[C@H](CNC(=O)NNC(=O)C(=O)N2CCCC2)O1 822416919 CDZPIFGINJWEKD-WDEREUQCSA-N 312.370 -0.103 50 10 DBGE C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@@]12C[C@H]3C[C@H](C(=O)N1)[C@H]2C3 844620489 VVQDUWYBHQVWIV-UBNHCWFFSA-N 307.350 -0.527 50 10 DBGE COCCO[C@H](C)C(=O)NNC(=O)NC[C@H]1C[C@@H](N(C)C)C1 847411066 XPACXWRZTQAJAW-UTUOFQBUSA-N 316.402 -0.292 50 10 DBGE COCC1(CNC(=O)NNC(=O)[C@H]2CCc3nncn3C2)CC1 848665493 AVTFXAJYTJVMAU-JTQLQIEISA-N 322.369 -0.403 50 10 DBGE COC[C@@H](CCNC(=O)NNC(=O)[C@]1(C)CCCO1)OC 852362649 DHVRHJKTHBSVKN-MFKMUULPSA-N 303.359 -0.063 50 10 DBGE Cc1cnc2nc(C(=O)NNC(=O)[C@]3(C)CCCO3)nn2c1 854689195 AGRVLQJCDUFOTL-ZDUSSCGKSA-N 304.310 -0.237 50 10 DBGE Cn1cc(C(=O)NNC(=O)C(C)(C)COCC(F)F)nn1 855186940 CGZNTRDVFYSAGP-UHFFFAOYSA-N 305.285 -0.116 50 10 DBGE CCc1cc(NC(=O)C(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)n(C)n1 862051588 PEWUCSZGIIMRKR-WPRPVWTQSA-N 323.353 -0.364 50 10 DBGE CCOC(=O)C1=CC[C@@H](NC(=O)c2ccc(B(O)O)cc2)C1 863887718 SNXFEYUHFFKQSY-CYBMUJFWSA-N 303.123 -0.252 50 10 DBGE O=C(N[C@@H]1CCN(C2CCC2)C1=O)c1cc(B(O)O)ccc1F 863891169 YHHAUQPAGMGWDW-CYBMUJFWSA-N 320.129 -0.611 50 10 DBGE O=C(NCC1CC1)NNC(=O)[C@@H]1C[C@@H](O)CN1c1ccncn1 1142342885 NXONOWSOJLDJLB-MNOVXSKESA-N 320.353 -0.843 50 10 DBGE COc1ccccc1OCC(=O)NNC(=O)[C@H]1CCCNC1=O 1290180888 DKMYDFWXSNSHRB-JTQLQIEISA-N 321.333 -0.252 50 10 DBGE O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccc(O)cc1F 1290349110 MVAABBOLGQULER-SSDOTTSWSA-N 316.310 -0.273 50 10 DBGE COCc1n[nH]c(CNC(=O)NNC(=O)[C@H]2CCCCO2)n1 1327746939 MTSVTEXDIXAIDN-MRVPVSSYSA-N 312.330 -0.649 50 10 DBGE NC(=O)Cc1csc(NC(=O)c2ccc(B(O)O)cc2)n1 1442106601 QTXXKQTVYCCWFH-UHFFFAOYSA-N 305.124 -0.897 50 10 DBGE CCC[C@H](O)C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 1463838882 BWIJECNTDGFXTQ-NSHDSACASA-N 304.310 -0.416 50 10 DBGE C[C@@H](O)C(=O)N1CCN(C(=O)/C(C#N)=C/c2cnn(C)c2)CC1 1466597594 WXOVAMJXCWSSID-ZTFCMROMSA-N 317.349 -0.621 50 10 DBGE CC(=O)N[C@@](C)(C(=O)NNC(=O)[C@H]1COCCO1)C(C)C 1531606304 MVKNDNVMXVSYMB-ZWNOBZJWSA-N 301.343 -0.900 50 10 DBGE C[C@@H](C(=O)NN(C)C(N)=O)[C@@H](O)CN(C)C(=O)OC(C)(C)C 1545888014 WANVOHYUHJAYRX-BDAKNGLRSA-N 318.374 -0.108 50 10 DBGE Cc1cnc(CCNC(=O)c2cc(B(O)O)ccc2F)cn1 1556935776 KLPGYAXEVNWQPL-UHFFFAOYSA-N 303.102 -0.424 50 10 DBGE C[C@@]1(CC(=O)NNc2ccc(C#N)cn2)CCS(=O)(=O)N1 1558272991 SPYVMAGSZXDDEO-LBPRGKRZSA-N 309.351 -0.132 50 10 DBGE Cn1cc(C(=O)NNC(=O)c2ccc(=O)n(C)c2)ccc1=O 1558637255 OXHBNMWROOHQIP-UHFFFAOYSA-N 302.290 -0.841 50 10 DBGE N#Cc1cccc(C(=O)NNC(=O)CN2CC=C[C@@H]2CO)c1 1620532951 ZOEFMNKPDMIISJ-CYBMUJFWSA-N 300.318 -0.448 50 10 DBGE CCOC(C)(OCC)C(=O)NNC(=O)CN1CCOC1=O 1627169035 PHGKIXYHHNFNEK-UHFFFAOYSA-N 303.315 -0.625 50 10 DBGE CNC(=O)[C@H]1CCC[C@@H]1NC(=O)NNC(=O)c1cccnn1 1633336606 JWTKWWNAQHTOHB-IUCAKERBSA-N 306.326 -0.665 50 10 DBGE CS(=O)(=O)N1CCC[C@H]1C(=O)NNc1ccc(C#N)cn1 1634215974 BTXCMMVLPHDICT-JTQLQIEISA-N 309.351 -0.180 50 10 DBGE CCn1nncc1C(=O)NNC(=O)c1cncc(NC(C)=O)c1 1641401013 MQMBCCXBAXQORV-UHFFFAOYSA-N 317.309 -0.274 50 10 DBGE COCCN(C(=O)/C=C/C(=O)Cl)[C@@H]1CCS(=O)(=O)C1 1888520064 XOTVEIOGHAAEHM-GKQMSVHHSA-N 309.771 -0.030 50 10 DBGE Cn1cnc(C(=O)N[C@H]2CS(=O)(=O)C[C@@H]2Br)c1 2008520279 ALVAPYPTDKEIAP-XPUUQOCRSA-N 322.184 -0.290 50 10 DBGE CN(C)[C@H]1CN(S(=O)(=O)CCS(C)(=O)=O)C[C@H]1Cl 2029418731 RSTPGVWAXPBTKA-BDAKNGLRSA-N 318.848 -0.786 50 10 DBGE O=C(Cn1cnnc1)N1CCN2C[C@H](Br)C[C@H]2C1 2029799705 DPLHRJWWZFCURS-ZJUUUORDSA-N 314.187 -0.042 50 10 DBGE O=C(Cl)/C=C/C(=O)NCC1(CO)CCS(=O)(=O)CC1 2135075086 HCWBPKGMNPKAOA-OWOJBTEDSA-N 309.771 -0.389 50 10 DBGE CS(=O)(=O)C[C@@H]1CCN(Cc2occc2C(=O)NN)C1 2143695577 UMTNVEZHYBVBON-SECBINFHSA-N 301.368 -0.250 50 10 DBGE C[C@@H](Cl)c1nc(=N)[nH]c(=NC2CC3(C2)CS(=O)(=O)C3)[nH]1 2152030802 LJITZQNUCCKNBH-ZCFIWIBFSA-N 317.802 -0.005 50 10 DBGE CCCS(=O)(=O)CCN(C)c1ncc(B(O)O)cc1C 2172802747 XHMVXOUCYSAQGL-UHFFFAOYSA-N 300.189 -0.669 50 10 DBGE CC[C@@H]1CN(CC(=O)N[C@@H]2CS(=O)(=O)C[C@H]2Cl)CCO1 2195878380 HZNXPMLVUXRYFH-GMTAPVOTSA-N 324.830 -0.382 50 10 DBGE C[C@H]1CN(Cc2ccc(B(O)O)s2)C[C@@H](C)S1(=O)=O 2227159348 CJXGRLIEGGCFHF-DTORHVGOSA-N 303.214 -0.565 50 10 DBGE C[C@@H]1C(S(=O)(=O)Nc2nc(B(O)O)ccc2Cl)[C@H]1C 2232368683 DBINWRWIXCRXDK-WDSKDSINSA-N 304.564 -0.189 50 10 DBGE CC[C@H](C#N)S(=O)(=O)Nc1nc(B(O)O)ccc1Cl 2232401835 FGIKUHFFCKSGNI-ZCFIWIBFSA-N 303.536 -0.541 50 10 DBGE C[C@H]1CO[C@H](C)CN1CC(=O)N[C@H]1CS(=O)(=O)C[C@H]1Cl 2234488878 FQQDRZSOEWBEHB-ZDCRXTMVSA-N 324.830 -0.384 50 10 DBGE O=C(N[C@H](CO)CC(F)F)c1ccc(B(O)O)cc1Cl 2237075177 GRJRVDRPOURWTL-ZETCQYMHSA-N 307.489 -0.234 50 10 DBGE Cc1sc(CNS(=O)(=O)NC(C)(C)C)c(B(O)O)c1C 2237729426 KNLYUQUCMNWDCV-UHFFFAOYSA-N 320.245 -0.233 50 10 DBGE COCCN(Cc1ccccc1)C(=O)c1ncc(B(O)O)cn1 2243359956 YUDYCEWJKPGQRT-UHFFFAOYSA-N 315.138 -0.555 50 10 DBGE Cc1cccc(C(=O)NCCNC(=O)OC(C)(C)C)c1B(O)O 2243375597 VZALBUJIVHUQBA-UHFFFAOYSA-N 322.170 -0.071 50 10 DBGE C=C(CS(=O)(=O)N1C[C@@H](C)CC[C@@H]1C1OCCO1)B(O)O 2255755689 UGTGZQKKPFZKPK-GXSJLCMTSA-N 319.188 -0.642 50 10 DBGE C[C@H]1C[C@H]2CN(S(=O)(=O)N3CC(Cl)C3)CCN2C1=O 2265283338 RWZKVLAJHDFRMH-WPRPVWTQSA-N 307.803 -0.293 50 10 DBGE O=C1[C@@H](NS(=O)(=O)N2CC(Cl)C2)CCN1C1CCC1 2265284714 KYYQQCWIQIVYFF-JTQLQIEISA-N 307.803 -0.103 50 10 DBGE Cc1sc(B(O)O)c(C(=O)N[C@H](C)C[S@@](C)=O)c1C 2267058648 AQRATJOOUCSLIH-ZLWQNGGKSA-N 303.214 -0.458 50 10 DBGE CON(C(=O)c1cc(B(O)O)c(Cl)s1)[C@H]1CCOC1 2267078625 NCPSOHUOXLSLPA-LURJTMIESA-N 305.548 -0.126 50 10 DBGE O=C(N[C@@H]1CC[C@@H](CO)C1)c1cc(B(O)O)c(Cl)s1 2267083605 CPHUWNVBZJHECP-RNFRBKRXSA-N 303.576 -0.028 50 10 DBGE C[C@H](NS(=O)(=O)c1cc(B(O)O)cs1)c1cn[nH]c1 2267202180 YWTROKZBYBHEEJ-LURJTMIESA-N 301.158 -0.810 50 10 DBGE O=S(=O)(NCC1SCCS1)c1cccc(B(O)O)c1 2267213961 JSWSMWVNEYMWRO-UHFFFAOYSA-N 319.238 -0.549 50 10 DBGE Cc1sc(C)c(S(=O)(=O)N2CC[C@H](F)C2)c1B(O)O 2267386696 XSGJWZAVHIDMRU-QMMMGPOBSA-N 307.177 -0.223 50 10 DBGE NC[C@@H]1CCCN(C(=O)c2cc(B(O)O)c(Cl)s2)C1 2267427937 AEDAHTIOZSJKBR-ZETCQYMHSA-N 302.592 -0.108 50 10 DBGE C[C@@]1(CNS(=O)(=O)c2cc(B(O)O)cs2)CCCO1 2267609430 PYQWWDLNQYTXDL-JTQLQIEISA-N 305.186 -0.725 50 10 DBGE O=S(=O)(Nc1nncs1)c1ccc(F)cc1B(O)O 2267622502 SDADTDXAZYWRMJ-UHFFFAOYSA-N 303.105 -0.842 50 10 DBGE O=C(NCC[C@H](F)C(=O)O)c1scc(B(O)O)c1Cl 2269018748 WMYKMPIPRFXTRE-YFKPBYRVSA-N 309.511 -0.376 50 10 DBGE COC[C@]1(C)C[C@@H]1NS(=O)(=O)c1sccc1B(O)O 2269264713 OVHYHGCVZBVUFC-WPRPVWTQSA-N 305.186 -0.869 50 10 DBGE CNCC(C)(C)N(C)S(=O)(=O)c1sccc1B(O)O 2273273725 JWUQLLRWINDXOW-UHFFFAOYSA-N 306.218 -0.954 50 10 DBGE O=C(c1ccc(B(O)O)s1)N1CCn2ncc(Cl)c2C1 2281619874 CLZRUKVDSSNJEG-UHFFFAOYSA-N 311.559 -0.066 50 10 DBGE O=C(c1ccc(B(O)O)s1)N1CCN[C@@H](CC(F)F)C1 2281620005 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315.286 -0.095 50 10 DBGE Cc1c(/C=C(/C#N)C(=O)N2C[C@@H](CO)[C@@H](O)C2)cc(C#N)n1C 1468866549 DGQHEBDNJSODKJ-GDJCJWFOSA-N 314.345 -0.076 50 10 DBGE COCCO[C@H](C)C(=O)NNC(=O)NC[C@H](OC)C1CC1 1478722384 ZZCQZVRYLLYDMU-KOLCDFICSA-N 303.359 -0.207 50 10 DBGE C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@@]1(F)CCS(=O)(=O)C1 1526604745 LEEMMIFWDWDPPV-VAOFZXAKSA-N 308.331 -0.914 50 10 DBGE CCC(=O)NNC(=O)[C@@H](C)N1CCC[C@H](c2nnc(N)o2)C1 1647896710 CGCCCJUFGWIXAI-BDAKNGLRSA-N 310.358 -0.223 50 10 DBGE CCNC(=O)C(C)(C)NCC(=O)NNC(=O)c1ccccc1 1654657232 WDRFIMJLLJCULS-UHFFFAOYSA-N 306.366 -0.048 50 10 DBGE CO[C@](C)(CO)CNS(=O)(=O)CI 1881750404 UTYQGTVTJPEKPT-LURJTMIESA-N 323.152 -0.304 50 10 DBGE CC(C)(C)OC(=O)N1CCSC[C@@H]1C(=O)NCB(O)O 1882300102 QHYBMVUTYSHUIC-MRVPVSSYSA-N 304.177 -0.533 50 10 DBGE Cn1nnc(C(=O)N2CCOC[C@@H](CBr)C2)n1 1948820956 OPCQMEDWHPGPRK-ZETCQYMHSA-N 304.148 -0.306 50 10 DBGE CS[C@@H](CO)[C@H](C)NC(=O)c1cc(B(O)O)ccc1Cl 1963764118 FMUMMFKFOHMWJO-CPCISQLKSA-N 317.603 -0.138 50 10 DBGE C#C[C@@H](CBr)NS(=O)(=O)CCS(C)(=O)=O 1974774884 WLULWCJNHRJTEL-ZETCQYMHSA-N 318.214 -0.653 50 10 DBGE CCS(=O)(=O)CC(=O)N[C@@H]1CN(C)C[C@H]1Br 1988335605 OVIOCJWHZGOAMY-HTQZYQBOSA-N 313.217 -0.385 50 10 DBGE CN1CCN(C(=O)c2c[nH]c(=O)cn2)[C@@H](CBr)C1 2048267319 AIOGECGMEZKTJZ-QMMMGPOBSA-N 315.171 -0.079 50 10 DBGE CC(C)(CCn1c(O)nnc(Br)c1=O)C(=O)NN 2054751254 FSZSYDHNXGGDCE-UHFFFAOYSA-N 320.147 -0.487 50 10 DBGE N#Cc1cc(I)cc(B(O)O)c1[N+](=O)[O-] 2060260027 LZAATPXAIGZDSR-UHFFFAOYSA-N 317.835 -0.249 50 10 DBGE CC[C@@H](O)CN(C)CC(=O)N[C@H]1CS(=O)(=O)C[C@@H]1Cl 2115749922 FZRCCDVPBDZTJW-UTLUCORTSA-N 312.819 -0.790 50 10 DBGE CC[C@@]1(CO)COCCN1Cc1csc(C(=O)NN)n1 2169042777 IEWWEXCNFOEBNY-GFCCVEGCSA-N 300.384 -0.280 50 10 DBGE C[C@H](NC(=O)[C@@H]1CCS(=O)(=O)C1)c1cc(B(O)O)cs1 2177632402 UVQBUFRDFWTIMB-JGVFFNPUSA-N 317.197 -0.960 50 10 DBGE Cn1cc(S(=O)(=O)N2C[C@H](O)C[C@@]2(C)CO)c(CCl)n1 2180005564 ODZMYSUYJXWTHK-KCJUWKMLSA-N 323.802 -0.335 50 10 DBGE C[C@@H](CCS(C)(=O)=O)N(C)c1ncc(F)cc1B(O)O 2188594981 YWYISZINLCQIPJ-QMMMGPOBSA-N 304.152 -0.840 50 10 DBGE CC[C@@H]1COCCN1CC(=O)N[C@H]1CS(=O)(=O)C[C@H]1Cl 2195878140 DOZJPECODIKUDX-MXWKQRLJSA-N 324.830 -0.382 50 10 DBGE COC[C@]12C[C@](C(=O)N[C@@H]3CS(=O)(=O)C[C@H]3Cl)(CO1)C2 2206079471 WWNVMHSVSNAMDP-CNVPUSNMSA-N 323.798 -0.297 50 10 DBGE CCNCCCNc1ncc(Br)cc1B(O)O 2217202321 JMNFRMOBRRQZFQ-UHFFFAOYSA-N 301.981 -0.065 50 10 DBGE CC1(C)CN(c2ncc(Br)cc2B(O)O)C[C@@H]1O 2223665440 GBOUKXHVPUIDIV-VIFPVBQESA-N 314.976 -0.269 50 10 DBGE OB(O)c1cc(Br)cnc1N1CCOCC12CC2 2223679201 MNNXCWOTWYSXFD-UHFFFAOYSA-N 312.960 -0.107 50 10 DBGE C[C@H]1[C@@H](C)S(=O)(=O)CCN1Cc1cc(B(O)O)cs1 2227154662 YVEUGGTXXPQJAU-DTWKUNHWSA-N 303.214 -0.565 50 10 DBGE Cc1cc(B(O)O)c(CNS(=O)(=O)CC(F)(F)F)s1 2229403908 VOTVZUCMGGHYOQ-UHFFFAOYSA-N 317.119 -0.282 50 10 DBGE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1NC(=O)c1cncc(B(O)O)c1 2243375732 XSFGCOJHQJERLD-WDEREUQCSA-N 321.142 -0.843 50 10 DBGE Cc1nc(NC(=O)[C@H](C)NC(=O)OC(C)(C)C)ncc1B(O)O 2243668820 QUJVKHASDGORRR-QMMMGPOBSA-N 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C[S@@](=O)C1(CNC(=O)c2cscc2B(O)O)CCC1 2267342983 JPXFIDPKLUCRMJ-LJQANCHMSA-N 301.198 -0.541 50 10 DBGE CCN(CC)[S@@](C)(=O)=NC(=O)c1csnc1B(O)O 2267354842 WYXDROPOOOEDPQ-IBGZPJMESA-N 305.190 -0.682 50 10 DBGE Cc1cnc(C(=O)N2CCC[C@@H]2C2OCCO2)c(B(O)O)c1 2267415277 YDASECMISFGEOW-LLVKDONJSA-N 306.127 -0.953 50 10 DBGE COC[C@H]1CCN(S(=O)(=O)c2ccc(B(O)O)s2)C1 2267419315 OZPPIPYCRDURIO-QMMMGPOBSA-N 305.186 -0.915 50 10 DBGE Cc1nsc(B(O)O)c1C(=O)NCC(F)(F)C(F)F 2267442384 FBIIPMOHUCANOJ-UHFFFAOYSA-N 300.042 -0.238 50 10 DBGE CS[C@H](CO)[C@H](C)NC(=O)c1scc(B(O)O)c1C 2267449257 KQXHSLKBIRLVJW-IONNQARKSA-N 303.214 -0.421 50 10 DBGE Cc1c(B(O)O)csc1C(=O)N[C@@H](C)CC[S@](C)=O 2267449750 QXFJDVPDVIBUAW-IIYDVTGLSA-N 303.214 -0.377 50 10 DBGE C[C@H]1C[S@](=O)CCN1C(=O)c1scc(B(O)O)c1Cl 2267452699 INVZKRFEDLCIRC-INMOSUBGSA-N 321.616 -0.326 50 10 DBGE C#CCCN(CCC)S(=O)(=O)c1sccc1B(O)O 2267609117 LQGKPIDOAHPTPO-UHFFFAOYSA-N 301.198 -0.148 50 10 DBGE O=S(=O)(N[C@H]1CCC[C@H](O)C1)c1sccc1B(O)O 2267610997 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50 10 DBGE Cc1ccc(B(O)O)cc1S(=O)(=O)NCCP(C)(C)=O 2282731347 POLYXFVMVQQAOD-UHFFFAOYSA-N 319.128 -0.424 50 10 DBGE Cc1ccc(B(O)O)cc1S(=O)(=O)NC[C@@H]1CCSC1 2282731691 VAPUIOWFJXGGBX-JTQLQIEISA-N 315.225 -0.294 50 10 DBGE O=S(=O)(Cc1ncsc1B(O)O)NC1C[C@@H]2CC[C@H]2C1 2282735318 YWNSWXIDTBYTGR-YUMQZZPRSA-N 316.213 -0.569 50 10 DBGE O=S(=O)(Cc1ncsc1B(O)O)N1CC[C@H]2C[C@@]2(F)C1 2282848832 SHYFSLPMEMTMHL-OIBJUYFYSA-N 320.176 -0.913 50 10 DBGE CC1CC(C)(NS(=O)(=O)c2ccc(F)c(B(O)O)c2)C1 2282861300 MHHVQUZVDDCNQG-UHFFFAOYSA-N 301.148 -0.028 50 10 DBGE CCN1CC(NC(=O)c2cc(F)c(B(O)O)cc2Cl)C1 2282975795 PCRJRCFTXFTKFF-UHFFFAOYSA-N 300.526 -0.407 50 10 DBGE Cc1cc(C(=O)NC[C@@H](C)[C@H](F)C(=O)O)c(B(O)O)s1 2284369877 ZWYBNYTXNKRQGJ-XRGYYRRGSA-N 303.120 -0.475 50 10 DBGE C=C(CS(=O)(=O)N1CC(C)(C)CC[C@@H]1C(=O)O)B(O)O 2284399352 JKIMQMMRVNBSDF-SECBINFHSA-N 305.161 -0.540 50 10 DBGE CC[C@@H](C)[C@H](NS(=O)(=O)c1cscc1B(O)O)C(=O)O 2284405912 REKJFWVXINGPIL-MUWHJKNJSA-N 321.185 -0.795 50 10 DBGE C=C(CS(=O)(=O)N1CC[C@H](C(=O)O)CC1(C)C)B(O)O 2284406222 VMQJFKPIHMNXJU-VIFPVBQESA-N 305.161 -0.540 50 10 DBGE CN(CCCCC(=O)O)S(=O)(=O)c1cscc1B(O)O 2284411918 PZPDOSCWGHILIH-UHFFFAOYSA-N 321.185 -0.697 50 10 DBGE Cc1cc(B(O)O)c(C(=O)N2[C@H](C)SC[C@@H]2C(=O)O)s1 2284424438 IJCXGXCTXOEUQE-POYBYMJQSA-N 315.181 -0.275 50 10 DBGE Cc1nsc(B(O)O)c1C(=O)N[C@H](CC(=O)O)C(C)C 2284457193 HRGFBFXHPFNNJP-SSDOTTSWSA-N 300.145 -0.640 50 10 DBGE O=C(N[C@@H]1C[C@]12C[C@H]2C(=O)O)c1cc(B(O)O)c(Cl)s1 2284472277 CJHIBVWAMBMGPA-HIPXNAPESA-N 315.543 -0.326 50 10 DBGE Cc1cc(B(O)O)cnc1C(=O)NC[C@H]1CSCCS1 2285192919 GVMLSKKLOBQDJV-JTQLQIEISA-N 312.225 -0.352 50 10 DBGE CN(Cc1cscc1B(O)O)C[C@H]1C[C@H](S(C)(=O)=O)C1 2285333274 LBZGAWLKLHKNBL-HOMQSWHASA-N 317.241 -0.317 50 10 DBGE CCN(CC(N)=O)C(=O)c1cc(B(O)O)c(F)cc1Cl 2285966997 UUOKPNYXDIHEOS-UHFFFAOYSA-N 302.498 -0.894 50 10 DBGE CCN(c1cc(B(O)O)c(Cl)cn1)[C@H](C)CS(C)(=O)=O 2294904182 BLXYIRBQGYWQSV-MRVPVSSYSA-N 320.607 -0.326 50 10 DBGE CN1CC(COc2ncc(B(O)O)cc2Br)C1 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2047955365 BRXNNOAQVHTNAK-RKDXNWHRSA-N 316.199 -0.150 50 10 DBGE CS(=O)(=O)CS(=O)(=O)N1C[C@@H]2[C@H](CCl)CO[C@H]2C1 2057883927 KBKGUTAOUKOIJK-HLTSFMKQSA-N 317.816 -0.496 50 10 DBGE O=C(CN=S1(=O)CCC1)N[C@@H]1CS(=O)(=O)C[C@H]1Cl 2075123169 VRVJRLYIODCCPH-HTQZYQBOSA-N 314.816 -0.621 50 10 DBGE O=C(N1CCC(Br)CC1)N1C[C@H](O)[C@@H](O)[C@@H]1CO 2080938026 JROWQVLYHBQZEO-GUBZILKMSA-N 323.187 -0.636 50 10 DBGE C[C@@H](C#N)CS(=O)(=O)N(C)Cc1cc(B(O)O)cs1 2110039791 CDEWKWMMPNJOER-QMMMGPOBSA-N 302.186 -0.651 50 10 DBGE CON(C)C(=O)CNS(=O)(=O)c1cn(C)nc1CCl 2123419681 VAJVAYDIVPEREG-UHFFFAOYSA-N 310.763 -0.543 50 10 DBGE C[C@@H]1C[C@@H]1S(=O)(=O)N1CCc2sc(B(O)O)cc2C1 2141427462 ZVGKEBOBBCUOMJ-XCBNKYQSSA-N 301.198 -0.476 50 10 DBGE NNC(=O)c1nc(CN2CCCC3(CC3)S2(=O)=O)ns1 2145214036 TWKCXOSTFPBOKF-UHFFFAOYSA-N 317.396 -0.400 50 10 DBGE CCS(=O)(=O)C[C@@H](C)N(C)c1ccc(B(O)O)c(C)n1 2172795054 TUYXSTFVPGOOMO-SECBINFHSA-N 300.189 -0.671 50 10 DBGE C[C@H](F)CS(=O)(=O)N1CCc2ccc(B(O)O)cc2C1 2177551455 AELFVCVHVIPEOG-VIFPVBQESA-N 301.148 -0.588 50 10 DBGE C[C@]1(CN)CCCN1CC(=O)N[C@@H]1CS(=O)(=O)C[C@H]1Cl 2182678087 UQINKPDYGYULCC-CKYFFXLPSA-N 323.846 -0.680 50 10 DBGE NNC(=O)[C@H]1CCC[C@@H](CN2CCCS(=O)(=O)CC2)O1 2193871574 ZBFLQSOKCFADIN-WDEREUQCSA-N 305.400 -0.966 50 10 DBGE CCNC(=O)[C@H](C)Nc1ncc(Br)cc1B(O)O 2223673233 XAYQXBPDLXFPPH-LURJTMIESA-N 315.964 -0.540 50 10 DBGE OB(O)c1cc(Br)cnc1N1CC[C@]2(CCO2)C1 2223677578 PTIIWTILDMHVPD-NSHDSACASA-N 312.960 -0.107 50 10 DBGE Cn1ncc2c1CN(c1ncc(Br)cc1B(O)O)C2 2231679806 JUDKQHBPCYTHNY-UHFFFAOYSA-N 322.959 -0.222 50 10 DBGE CC(=O)NNC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2243397726 ICZJCAIKSZFHQP-UHFFFAOYSA-N 306.131 -0.443 50 10 DBGE COC(=O)[C@@H](N)CS(=O)(=O)NC[C@H]1C[C@@H]1Br 2244228662 HTBKZPQORQLGHO-VQVTYTSYSA-N 315.189 -0.811 50 10 DBGE O=C(N[C@H](CB(O)O)C(=O)O)c1cc(Br)co1 2249410485 NKYVICFUVZLAHF-RXMQYKEDSA-N 305.877 -0.302 50 10 DBGE O=C1CCC2(CCN(S(=O)(=O)N3CC(Cl)C3)CC2)N1 2265280928 NPBNHCGRRNMURW-UHFFFAOYSA-N 307.803 -0.101 50 10 DBGE C[S@](=O)(=NC(=O)c1ccc(B(O)O)s1)[C@@H]1CCNC1 2266878248 AFWSDOVTHDKZOH-QOLSBQFWSA-N 302.186 -0.972 50 10 DBGE C[S@@](=O)C1CN(C(=O)c2cc(Cl)ccc2B(O)O)C1 2266935070 AJLPZKNHLVDFMH-LJQANCHMSA-N 301.560 -0.777 50 10 DBGE Cn1c(Cl)cnc1CNC(=O)c1csnc1B(O)O 2267068768 KGEAVYDZWCXHLC-UHFFFAOYSA-N 300.536 -0.860 50 10 DBGE C[C@H](NS(=O)(=O)c1cc(B(O)O)cs1)[C@H]1CCSC1 2267200238 DHJILMDGHPUADL-YUMQZZPRSA-N 321.254 -0.152 50 10 DBGE O=S(=O)(c1ccc(B(O)O)s1)N1CCC[C@@H](CF)C1 2267204031 YMEZANYEOWEJIO-QMMMGPOBSA-N 307.177 -0.202 50 10 DBGE CC[C@H]1C[C@H](NS(=O)(=O)c2sccc2B(O)O)CO1 2267206218 CGAOAWXAIKUMFA-YUMQZZPRSA-N 305.186 -0.726 50 10 DBGE Cc1sc(B(O)O)cc1S(=O)(=O)NC[C@@H]1CCOC1 2267382196 HKVVDWGTXSMKTJ-QMMMGPOBSA-N 305.186 -0.949 50 10 DBGE O=S(=O)(NC[C@H]1CCO1)c1ccc(B(O)O)cc1Cl 2267382878 QZOJMGYEVFSPIE-MRVPVSSYSA-N 305.548 -0.913 50 10 DBGE Cc1cc(NS(=O)(=O)c2cc(B(O)O)sc2C)n[nH]1 2267388037 RRUNTBQKFWVFGS-UHFFFAOYSA-N 301.158 -0.431 50 10 DBGE O=S(=O)(N[C@@H]1CCC[C@H](O)C1)c1cscc1B(O)O 2267393008 RPDZOARTVXUWPV-SFYZADRCSA-N 305.186 -0.990 50 10 DBGE NC(=O)C1(CNC(=O)c2cc(B(O)O)c(Cl)s2)CC1 2267398428 SSBWFAOAGHKDPL-UHFFFAOYSA-N 302.548 -0.923 50 10 DBGE O=S(=O)(N[C@@H]1CCC[C@@H](O)C1)c1sccc1B(O)O 2267610994 MXAGZGGHRDKDCA-HTQZYQBOSA-N 305.186 -0.990 50 10 DBGE O=S(=O)(NC[C@H]1CC[C@H](F)C1)c1sccc1B(O)O 2267614897 UYOXNDHUKCSBGH-YUMQZZPRSA-N 307.177 -0.156 50 10 DBGE CC#CCN(C)S(=O)(=O)c1c(Cl)cccc1B(O)O 2267619727 XEOBUDZGGDFCPP-UHFFFAOYSA-N 301.560 -0.336 50 10 DBGE CO[C@H](CNC(=O)c1nn(C)c(Cl)c1B(O)O)C(C)C 2281656440 KQSJMIKAWKXPEF-SSDOTTSWSA-N 303.555 -0.846 50 10 DBGE CN(C[C@@H]1CCCS1)C(=O)c1nn(C)c(Cl)c1B(O)O 2281659116 BRPFTTLLNVECNK-ZETCQYMHSA-N 317.607 -0.279 50 10 DBGE CCCn1cc(B(O)O)cc1C(=O)NCC[S@@](=O)CC 2281701694 LDVUKAUKVKRLEH-FQEVSTJZSA-N 300.189 -0.924 50 10 DBGE NC[C@]1(F)C[C@H](NC(=O)c2ccc(Cl)c(B(O)O)c2)C1 2281704701 DPCGBWGKSQBSAY-ITWVYHRLSA-N 300.526 -0.421 50 10 DBGE Cc1csc(C(=O)N[C@@H]2C[P@](C)(=O)C[C@H]2O)c1B(O)O 2281895014 WVWVBZAJDATDJH-UOSOUYSTSA-N 317.112 -0.798 50 10 DBGE CS(=O)(=O)[C@H]1CCC[C@H]1NC(=O)c1cc(B(O)O)cs1 2281918839 WTTVOWBHBBVJMJ-SCZZXKLOSA-N 317.197 -0.877 50 10 DBGE CC[C@@H](C[C@@H](C)O)NS(=O)(=O)c1ccc(B(O)O)cc1 2282081300 BHSNUYOWGUUREU-KOLCDFICSA-N 301.173 -0.806 50 10 DBGE C[C@@H](N)[C@@H]1CCCN(S(=O)(=O)c2ccc(B(O)O)s2)C1 2282086065 HKZSHOWTQSHKAM-RKDXNWHRSA-N 318.229 -0.824 50 10 DBGE C[C@H](CC(F)(F)F)NS(=O)(=O)c1cncc(B(O)O)c1 2282102266 IRSSGTNEZIJYNH-ZCFIWIBFSA-N 312.078 -0.619 50 10 DBGE O=C(c1c(Cl)cccc1B(O)O)N1CC[C@](F)(CO)C1 2282133850 IXWPBYOQAVQOFW-GFCCVEGCSA-N 301.510 -0.434 50 10 DBGE CC[C@H](CCCO)NC(=O)c1nn(C)c(Cl)c1B(O)O 2282156473 KNXJHKCJILYBOB-SSDOTTSWSA-N 303.555 -0.966 50 10 DBGE CS[C@@H]1COC[C@@H]1NC(=O)c1ccc(B(O)O)c(Cl)c1 2282166808 GYKACMSCWSEEAK-WDEREUQCSA-N 315.587 -0.120 50 10 DBGE CN(C)C(=O)OCCCNC(=O)c1ccc(B(O)O)s1 2282217114 RFKAYDDEGWHIRN-UHFFFAOYSA-N 300.145 -0.754 50 10 DBGE O=C(c1ncsc1B(O)O)N1CCO[C@@H](C(F)F)CC1 2282239870 BAONHGZKEFJHAM-ZCFIWIBFSA-N 306.099 -0.681 50 10 DBGE O=S(=O)(Cc1ncsc1B(O)O)N1C[C@H]2CC=CC[C@@H]21 2282333580 QJKQIIGHZWZEKX-SCZZXKLOSA-N 314.197 -0.697 50 10 DBGE C=C(CS(=O)(=O)N1C[C@@H](C)N(CCC)[C@H](C)C1)B(O)O 2282362824 JYAYYVORVDKFEV-VXGBXAGGSA-N 304.221 -0.311 50 10 DBGE CO[C@H]1C[C@H]1CN(C)S(=O)(=O)c1cc(B(O)O)sc1C 2282367295 AECSHUQWNOPQOJ-IUCAKERBSA-N 319.213 -0.608 50 10 DBGE Cc1cc(S(=O)(=O)NC[C@H](C)CCCO)sc1B(O)O 2282374086 WKZNVCRCQCNILB-MRVPVSSYSA-N 321.229 -0.577 50 10 DBGE CO[C@@H](C)[C@H](C)NS(=O)(=O)c1ccc(C)cc1B(O)O 2282376439 DPUPMLXEHBJJQV-UWVGGRQHSA-N 301.173 -0.623 50 10 DBGE CC[C@H]1CC[C@@H]1N(C)S(=O)(=O)Cc1ncsc1B(O)O 2282385106 VVWGNCWYUIEVPX-WPRPVWTQSA-N 318.229 -0.227 50 10 DBGE Cc1cc(B(O)O)c(C(=O)N(CCO)CC(F)(F)F)s1 2282413655 ICGMMXCPOHMCNZ-UHFFFAOYSA-N 311.090 -0.267 50 10 DBGE O=C(N[C@H]1C[C@@H]2CS(=O)(=O)C[C@@H]2C1)[C@H]1C[C@H](B(O)O)C1 2282426004 WUVHLZHKVNQKMP-HBKXCPMBSA-N 301.173 -0.821 50 10 DBGE CC(C)[C@@H]1NCC[C@@H]1NS(=O)(=O)c1ccc(B(O)O)s1 2282707355 XWTBAUGTBZMKSL-KWQFWETISA-N 318.229 -0.907 50 10 DBGE O=S(=O)(NOCCC(F)(F)F)c1cccc(B(O)O)c1 2282709917 GVDGAGXVHBLPDW-UHFFFAOYSA-N 313.062 -0.471 50 10 DBGE CC1(C)[C@@H](CN)CCN1S(=O)(=O)c1sccc1B(O)O 2282712333 OHYSMVACJXIROK-MRVPVSSYSA-N 318.229 -0.824 50 10 DBGE C[C@@H]1C[C@@H](CNS(=O)(=O)c2ccc(B(O)O)s2)CCO1 2282713827 KFQGARGAJMAFOC-BDAKNGLRSA-N 319.213 -0.479 50 10 DBGE CC[C@@H]1CC(=O)N(S(=O)(=O)c2sccc2B(O)O)[C@@H]1C 2282719885 SAJHHLYIBYSKGF-HTQZYQBOSA-N 317.197 -0.236 50 10 DBGE CC1(F)CC(NS(=O)(=O)c2ccc(F)cc2B(O)O)C1 2282721826 XQGBBYWFOQGROM-UHFFFAOYSA-N 305.111 -0.326 50 10 DBGE Cc1cc(S(=O)(=O)N(CCN)C(C)C)ccc1B(O)O 2282725486 BZWRIJDGZSFNGR-UHFFFAOYSA-N 300.189 -0.967 50 10 DBGE O=S(=O)(NC[C@H]1CCOC1)c1ccc(B(O)O)cc1Cl 2282727637 KAXWCBNGBUUSRR-MRVPVSSYSA-N 319.575 -0.665 50 10 DBGE CN(Cc1ccno1)S(=O)(=O)Cc1ccsc1B(O)O 2282853370 BXROQMCIQDVBCW-UHFFFAOYSA-N 316.169 -0.622 50 10 DBGE COC[C@@H](CNC(=O)c1cccc(Cl)c1B(O)O)OC 2283084370 CCJNRAQCFBBKMA-MRVPVSSYSA-N 301.535 -0.589 50 10 DBGE O=C(c1cccc(Cl)c1B(O)O)N1CC([C@H](F)CO)C1 2283118175 BYAQOSHKLLAHPP-SNVBAGLBSA-N 301.510 -0.578 50 10 DBGE O=C(c1scc(B(O)O)c1Cl)N1C[C@H]2C[C@]1(C(=O)O)C2 2284369676 YITINHNSNXXWTG-KMXNSFKFSA-N 315.543 -0.230 50 10 DBGE Cc1cc(S(=O)(=O)N[C@H](C)[C@H](C)C(=O)O)sc1B(O)O 2284412165 AIVREFPMBVEOJG-NKWVEPMBSA-N 321.185 -0.876 50 10 DBGE COc1ncc(C(=O)N[C@H](CB(O)O)C(=O)O)cc1Cl 2287249876 HCFAJMOXGFZIRS-SSDOTTSWSA-N 302.479 -0.601 50 10 DBGE COC(=O)C(C)(C)CS(=O)(=O)N[C@@H]1CCC=C1B(O)O 2290056083 HNCKWOYVDTZABT-SECBINFHSA-N 305.161 -0.794 50 10 DBGE COC(=O)[C@@H](CBr)NC(=O)[C@@]1(C)COCCO1 2303580552 VVKRBLIJPZGJDG-GMSGAONNSA-N 310.144 -0.155 50 10 DBGE CN(NC(=O)[C@@H]1CNC[C@H](P(C)(C)=O)C1)S(C)(=O)=O 2344086840 MSBCXGTTZHJOPM-DTWKUNHWSA-N 311.344 -0.490 50 10 DBGE O=C(NCC1(Cl)CCOCC1)c1cscc1B(O)O 2353104177 UCBGVQNDSDCLSV-UHFFFAOYSA-N 303.576 -0.054 50 10 DBGE CN(C(=O)[C@@H]1C[C@H]1B(O)O)[C@H]1CCC[C@@H](S(C)(=O)=O)C1 2359270054 RCSXDPYKBBPFAG-LNFKQOIKSA-N 303.189 -0.337 50 10 DBGE Cc1sc(C(=O)NN)cc1CN1C[C@@H]2[C@H](C1)CS2(=O)=O 2361522219 OUKAKZZFRIFZET-MWLCHTKSSA-N 315.420 -0.111 50 10 DBGE CN(CCOC1CCC1)S(=O)(=O)c1cscc1B(O)O 2363789076 FXJXIPGGZXELHU-UHFFFAOYSA-N 319.213 -0.383 50 10 DBGE CN(NC(=O)C[C@H]1CNC2(CC2)CO1)S(=O)(=O)C1CC1 2365264839 NEYYMJOFBBLLTH-VIFPVBQESA-N 303.384 -0.647 50 10 DBGE CC(C)S(=O)(=O)N(C)NC(=O)N1CC([C@H](F)C(=O)O)C1 2365291854 KAPHMROYPLBHOD-QMMMGPOBSA-N 311.335 -0.365 50 10 DBGE C[C@@H](C(=O)NNC(=O)c1ccnc(N(C)C)c1)n1cncn1 171941506 MADSDZWYCFTQAJ-VIFPVBQESA-N 303.326 -0.239 50 10 DBGE CCOC(=O)NS(=O)(=O)Nc1cc(B(O)O)ccc1Cl 404885091 SLDHJGUEMGITMM-UHFFFAOYSA-N 322.535 -0.577 50 10 DBGE Cc1ccccc1CC(=O)NNC(=O)CN1C[C@@H](O)C[C@@H](O)C1 766907711 IAZHTWCUTVHDJZ-OKILXGFUSA-N 321.377 -0.888 50 10 DBGE C[C@](O)(Cn1ccccc1=O)C(=O)NNC(=O)CC(F)(F)F 790558031 RTZQREVSDDUWPY-NSHDSACASA-N 321.255 -0.301 50 10 DBGE COC(=O)C(C)(C)CCNC(=O)NNC(=O)[C@H]1COCCO1 805165905 YELMANBWQAPMOJ-SECBINFHSA-N 317.342 -0.679 50 10 DBGE Cc1cnn(C)c1S(=O)(=O)NNC(=O)[C@H]1CCCS1 818053455 YHLDPWTYSNLBSN-MRVPVSSYSA-N 304.397 -0.066 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50 10 DBGE C[C@H]1CN(C(=O)Cn2cnnn2)C[C@H](CBr)O1 1942648649 WDFOCGOXWULMIN-YUMQZZPRSA-N 304.148 -0.316 50 10 DBGE CN(Cc1c(Br)nnn1C)CC1(C(=O)NN)CC1 2038809022 DHKKMGWMIPDDES-UHFFFAOYSA-N 317.191 -0.221 50 10 DBGE COc1cc(B(O)O)c(C#N)cc1I 2060246423 RIWYSDNMBXYIGG-UHFFFAOYSA-N 302.864 -0.149 50 10 DBGE CN(Cc1cc(B(O)O)cs1)S(=O)(=O)CC(C)(C)F 2088053772 CTLWIABLSSMKJS-UHFFFAOYSA-N 309.193 -0.062 50 10 DBGE O=C(CN1N[C@H]2CC[C@H]1C2)N[C@@H]1CS(=O)(=O)C[C@@H]1Cl 2088503255 QUSQPIJPKCHCOA-AATLWQCWSA-N 307.803 -0.752 50 10 DBGE C#CCCN(CC)CC(=O)N[C@H]1CS(=O)(=O)C[C@H]1Cl 2089251683 JYYXPPSHDDUSFQ-MNOVXSKESA-N 306.815 -0.148 50 10 DBGE C#C[C@@H]1CCCN(CC(=O)N[C@H]2CS(=O)(=O)C[C@H]2Cl)C1 2145484398 FQWPZMMGMNPTPP-UTUOFQBUSA-N 318.826 -0.148 50 10 DBGE CS(=O)(=O)C[C@H]1CCCN1Cc1cc(C(=O)NN)co1 2151277345 WKXWNLMMEMVQDR-SNVBAGLBSA-N 301.368 -0.108 50 10 DBGE COC(C)(C)CS(=O)(=O)NCc1scc(C)c1B(O)O 2157018011 BUVKRNUHCKYFOK-UHFFFAOYSA-N 321.229 -0.419 50 10 DBGE C[C@H]1[C@@H](C)N(Cc2nc(C(=O)NN)cs2)CCS1(=O)=O 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O=S1(=O)C[C@H](OC[C@@H]2COCCO2)[C@@H](Br)C1 1939097715 GRXQIBKLTCRTIB-CIUDSAMLSA-N 315.185 -0.021 50 10 DBGE C[C@@]1(CNS(=O)(=O)CCOCCCl)COCCO1 2072243557 UFUZQYKDEXRBHL-SNVBAGLBSA-N 301.792 -0.033 50 10 DBGE O=C(NCCc1cccc(B(O)O)c1)[C@@H]1C[C@@H]1Br 2084671661 HEBKPOJRFZQZHB-MNOVXSKESA-N 311.972 -0.192 50 10 DBGE Cn1ncc(S(=O)(=O)NCCN2CCC(Cl)CC2)n1 2088178022 CICITQYCMQBMTO-UHFFFAOYSA-N 307.807 -0.203 50 10 DBGE NNC(=O)c1ccc(CN2CCS(=O)(=O)CCO2)s1 2090270806 MQAZGMZOKIWJLW-UHFFFAOYSA-N 305.381 -0.486 50 10 DBGE CN(Cc1cnsc1C(=O)NN)[C@@H]1CCS(=O)(=O)C1 2116714539 GCAGOQCSLQFDHC-MRVPVSSYSA-N 304.397 -0.635 50 10 DBGE C[C@H]1CCC[C@@H]1S(=O)(=O)NCc1ncc(B(O)O)s1 2118888617 SUXOSBZCHZXYFT-YUMQZZPRSA-N 304.202 -0.569 50 10 DBGE NNC(=O)c1nc(CN2[C@H]3CC[C@@H](C3)CS2(=O)=O)ns1 2144751470 DVOUTDKSSBGMLT-BQBZGAKWSA-N 317.396 -0.544 50 10 DBGE NNC(=O)c1nc(CN2C[C@@H]3CCS(=O)(=O)[C@H]3C2)cs1 2145078904 KHJUGKCCODNLTC-CBAPKCEASA-N 316.408 -0.635 50 10 DBGE C[C@H](C#N)CS(=O)(=O)NCc1cc(B(O)O)ccc1F 2166359910 KAHCUJHXFFUGRZ-MRVPVSSYSA-N 300.120 -0.915 50 10 DBGE O=C(NCc1cnc(B(O)O)s1)[C@@H]1[C@@H]2CCC(F)(F)[C@H]21 2170852816 PDRPXTHHOURBMG-XLPZGREQSA-N 302.111 -0.270 50 10 DBGE COC[C@@H](OC)C(=O)N(C)[C@H](C)c1cc(B(O)O)cs1 2186584222 GWNXIWBRZGPFRA-PSASIEDQSA-N 301.173 -0.391 50 10 DBGE CC(C)(C)OC(=O)N[C@H]1COC[C@@H]1Nc1ncccc1B(O)O 2212603006 LTRZDZPVWFYVPE-QWRGUYRKSA-N 323.158 -0.535 50 10 DBGE COC(=O)[C@@H](Br)CNCCN1C[C@@H](C)NC1=O 2216831487 WKFPELUJYBTZCR-SFYZADRCSA-N 308.176 -0.074 50 10 DBGE CC[C@H](N)CN(C)c1ncc(Br)cc1B(O)O 2217204842 POIOZJWPPXHIAX-QMMMGPOBSA-N 301.981 -0.303 50 10 DBGE OB(O)c1cc(Br)cnc1N1C[C@@H]2C[C@@H](O)[C@H]2C1 2223671726 AOTYIVYPYNETNY-KADJCCMJSA-N 312.960 -0.659 50 10 DBGE O=S(=O)(NCCCOCCO)N1CCC(Cl)CC1 2223822262 UHNQAKHKLHGTEC-UHFFFAOYSA-N 300.808 -0.077 50 10 DBGE CNC(=O)c1ccn(-c2ncc(Br)cc2B(O)O)n1 2231602617 ROYAIGVRDVTBDV-UHFFFAOYSA-N 324.931 -0.931 50 10 DBGE CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)c2cc(B(O)O)c[nH]2)C1 2243400227 XSNJFVATYWSNHY-SNVBAGLBSA-N 323.158 -0.566 50 10 DBGE C[C@H](CN)N(C)S(=O)(=O)c1cc(Cl)c(B(O)O)s1 2255759325 XTNPEHFXMCLJRS-RXMQYKEDSA-N 312.609 -0.951 50 10 DBGE O=S(=O)(NCc1ccsc1)c1cscc1B(O)O 2255887883 HLQQHQGFHLRZJM-UHFFFAOYSA-N 303.195 -0.032 50 10 DBGE O=S(=O)(c1nc[nH]n1)N1C[C@@H]2OC[C@@H](CCl)O[C@@H]2C1 2265140522 FOMCMTULWAKWJW-GJMOJQLCSA-N 308.747 -0.800 50 10 DBGE O=C(NCCc1nc[nH]n1)c1cc(B(O)O)c(Cl)s1 2267086209 GFSHENVJSOVPJJ-UHFFFAOYSA-N 300.536 -0.828 50 10 DBGE COc1cc(NS(=O)(=O)c2cc(B(O)O)cs2)sn1 2267199850 BAKAGFOEIOORCL-UHFFFAOYSA-N 320.182 -0.306 50 10 DBGE O=S(=O)(NCC[C@H]1CC12CC2)c1ccc(B(O)O)s1 2267212525 WDTIYBJXYVMWCL-QMMMGPOBSA-N 301.198 -0.104 50 10 DBGE CC[C@@H](N)CN(C)S(=O)(=O)c1cc(B(O)O)sc1C 2267392252 JUMAYMOUEQZDNV-MRVPVSSYSA-N 306.218 -0.906 50 10 DBGE CC#CC[C@H](CO)NC(=O)c1cc(B(O)O)c(Cl)s1 2267424596 CKOHEDLHZHSTOD-SSDOTTSWSA-N 301.560 -0.415 50 10 DBGE CS[C@H](CO)[C@H](C)NC(=O)c1cc(B(O)O)c(Cl)s1 2267425185 MOFLNEUDOCAJAE-YLWLKBPMSA-N 323.632 -0.077 50 10 DBGE CSC[C@@](C)(O)CNC(=O)c1scc(C)c1B(O)O 2267436565 ZXDQERRAODTNHB-NSHDSACASA-N 303.214 -0.420 50 10 DBGE Cc1ccc(S(=O)(=O)N[C@H]2CCSC2)c(B(O)O)c1 2267617630 NWLIBOWXJHAQNU-VIFPVBQESA-N 301.198 -0.541 50 10 DBGE CC1(NS(=O)(=O)Cc2ccsc2B(O)O)CC=CC1 2267717362 BWYGHHKIWXJTDE-UHFFFAOYSA-N 301.198 -0.044 50 10 DBGE CSCC[C@H](NC(=O)c1csc(B(O)O)c1)C(=O)O 2269042288 PBOZMLYWZBPTDL-ZETCQYMHSA-N 303.170 -0.636 50 10 DBGE O=C(NC1CSCCSC1)c1ncc(B(O)O)cc1F 2281661756 MTWQOXSOGHGMAY-UHFFFAOYSA-N 316.188 -0.521 50 10 DBGE CS(=O)(=O)CCC1CC(NC(=O)[C@H]2C[C@@H](B(O)O)C2)C1 2281849431 AUBYGRRTQOJDDJ-GGWWSXTCSA-N 303.189 -0.431 50 10 DBGE Cc1csc(C(=O)NC[C@]2(C)CSCCO2)c1B(O)O 2281886472 JWSWIDMEEJBOID-GFCCVEGCSA-N 315.225 -0.012 50 10 DBGE CC1(C)C[C@@H](NS(=O)(=O)c2cc(B(O)O)cs2)CCO1 2282068424 CYPPIBQFHSBWBA-VIFPVBQESA-N 319.213 -0.336 50 10 DBGE CC[C@H]1C[C@H](NS(=O)(=O)c2sccc2B(O)O)CCO1 2282068440 DABVFSOJQRPLKL-BDAKNGLRSA-N 319.213 -0.336 50 10 DBGE C[C@H]1CO[C@@H](CN(C)S(=O)(=O)c2cc(B(O)O)cs2)C1 2282068575 FLHLQJZMSOCZJL-PSASIEDQSA-N 319.213 -0.527 50 10 DBGE O=S(=O)(Nc1ccccc1CO)c1cc(B(O)O)cs1 2282070188 AFMWHCVVRNNDCX-UHFFFAOYSA-N 313.165 -0.279 50 10 DBGE C[C@H](NS(=O)(=O)c1sccc1B(O)O)c1cnn(C)c1 2282084742 RHDYEXYQKJQDMJ-ZETCQYMHSA-N 315.185 -0.799 50 10 DBGE COC[C@@H](C)CCNS(=O)(=O)c1ccccc1B(O)O 2282093283 AOVNOFOKOZZWMY-JTQLQIEISA-N 301.173 -0.683 50 10 DBGE C[S@](=O)(=NC(=O)[C@H]1C[C@H](B(O)O)C1)N1CCCNCC1 2282134034 LAGCZTPNPDAHQY-VUPYVKPUSA-N 303.193 -0.926 50 10 DBGE Cn1nc(C(=O)NC2(C)CCOCC2)c(B(O)O)c1Cl 2282254111 XLIIOIVFRPTHBL-UHFFFAOYSA-N 301.539 -0.948 50 10 DBGE CS[C@H](CO)[C@H](C)NC(=O)c1ccc(Cl)cc1B(O)O 2282287458 ZLVYYMPPUBDHSZ-WRWORJQWSA-N 317.603 -0.138 50 10 DBGE COCC[C@H](N)CNC(=O)c1cc(Cl)cc(B(O)O)c1 2282304739 OREGYSMFZIXABA-NSHDSACASA-N 300.551 -0.887 50 10 DBGE CS[C@H]1CCN(S(=O)(=O)Cc2cccc(B(O)O)c2)C1 2282334617 DSQVBJPVHHOEHV-LBPRGKRZSA-N 315.225 -0.367 50 10 DBGE O=S(=O)(Cc1ncsc1B(O)O)NC1CC(=C2CC2)C1 2282354777 VRVYVQCKNMJLDG-UHFFFAOYSA-N 314.197 -0.505 50 10 DBGE Cc1cc(NS(=O)(=O)c2c(C)sc(C)c2B(O)O)n[nH]1 2282365258 WJQJXARMUGGTKF-UHFFFAOYSA-N 315.185 -0.123 50 10 DBGE CCOCC(C)(C)CNS(=O)(=O)c1cscc1B(O)O 2282365791 DXPKLYWSNXYWDR-UHFFFAOYSA-N 321.229 -0.231 50 10 DBGE CN(C1(CCO)CCC1)S(=O)(=O)c1cscc1B(O)O 2282377560 SGWUHTXPXSTDGA-UHFFFAOYSA-N 319.213 -0.647 50 10 DBGE Cc1c(B(O)O)csc1C(=O)NCc1nnc(CO)s1 2282413215 AQYXOANTIVPRSH-UHFFFAOYSA-N 313.169 -0.990 50 10 DBGE O=S(=O)(Cc1cccc(B(O)O)c1)NCCCC(F)F 2282419881 SJUOQLVVNFZFNJ-UHFFFAOYSA-N 307.127 -0.169 50 10 DBGE O=C(NCCO[C@H]1CCNC1)c1cc(B(O)O)c(Cl)s1 2282428221 BYTWIPSJDYBDGQ-ZETCQYMHSA-N 318.591 -0.810 50 10 DBGE C[C@@H](NS(=O)(=O)c1cccc(B(O)O)c1)[C@H]1CC1(F)F 2282429599 ULXWTOXOOSPEKL-GMSGAONNSA-N 305.111 -0.312 50 10 DBGE NC[C@H]1C[C@@H](F)CN1C(=O)c1c(Cl)cccc1B(O)O 2282453182 HBLHOHAHHOXEJT-HTQZYQBOSA-N 300.526 -0.469 50 10 DBGE C#CC1(O)CCN(C(=O)c2scc(B(O)O)c2Cl)CC1 2282482194 GFDKRDPOQKCEFM-UHFFFAOYSA-N 313.571 -0.318 50 10 DBGE O=S(=O)(NCCC1CCNCC1)c1cc(B(O)O)cs1 2282704383 JLFGXTXOEDLVCP-UHFFFAOYSA-N 318.229 -0.904 50 10 DBGE N[C@@H]1CCCCC[C@H]1NS(=O)(=O)c1ccc(B(O)O)s1 2282708795 RJOPTNHEXUNHLC-RKDXNWHRSA-N 318.229 -0.634 50 10 DBGE O=S(=O)(Nc1nnc(C2CC2)o1)c1cc(B(O)O)cs1 2282709784 ZOKVYWANGYTZPI-UHFFFAOYSA-N 315.141 -0.511 50 10 DBGE Cc1ccc(S(=O)(=O)N2C[C@H](C)[C@@H](F)C2)c(B(O)O)c1 2282729621 PNLAZHRQMDIGQV-ONGXEEELSA-N 301.148 -0.347 50 10 DBGE CCN(CCF)S(=O)(=O)c1cc(B(O)O)ccc1OC 2282736789 VXUAAGZQNNYLQP-UHFFFAOYSA-N 305.136 -0.645 50 10 DBGE C[C@H]1CCN(S(=O)(=O)c2ccc(F)c(B(O)O)c2)C1=O 2282738410 UNPNXAXIJBATPP-ZETCQYMHSA-N 301.104 -0.937 50 10 DBGE C[C@H]1C[C@H]1CCNS(=O)(=O)c1ccc(F)c(B(O)O)c1 2282858556 YVXJDEIEVBUKCN-DTWKUNHWSA-N 301.148 -0.170 50 10 DBGE C[C@@](NC(=O)c1cc(B(O)O)cs1)(C(=O)O)C(F)(F)F 2284421274 MVDSIPFNLOIGOA-MRVPVSSYSA-N 311.046 -0.437 50 10 DBGE Cc1csc(C(=O)N=[S@](C)(=O)CCC(=O)O)c1B(O)O 2284460633 COCPRCRGALRJDH-HXUWFJFHSA-N 319.169 -0.551 50 10 DBGE O=C(c1cc(B(O)O)c(Cl)s1)N1C[C@H]2C[C@]2(C(=O)O)C1 2284470891 IAIUPJOLOKRAPP-GCXOYZPQSA-N 315.543 -0.372 50 10 DBGE C[C@@H](CC(=O)O)NC(=O)c1cc(B(O)O)c(F)cc1Cl 2285964621 GFLSFSFKFDVGEW-YFKPBYRVSA-N 303.482 -0.248 50 10 DBGE CN1C(=O)NC(=O)C(=CNNC(=O)c2ccccc2O)C1=O 2296132823 LVFFEVSKEYDKFI-UHFFFAOYSA-N 304.262 -0.781 50 10 DBGE CC(F)(F)C[C@H](NC(=O)c1cnsc1B(O)O)C(=O)O 2362506959 CVUWISNXNJZCFV-YFKPBYRVSA-N 308.071 -0.949 50 10 DBGE CN(C(=O)NN(C)S(=O)(=O)C1CCC1)C1(C(=O)O)CC1 2365269659 XUUDJXPUIBPFBM-UHFFFAOYSA-N 305.356 -0.026 50 10 DBGE OC[C@H]1O[C@@H](Oc2ccc(N=C=S)cc2)[C@@H](O)[C@@H](O)[C@@H]1O 22061656 RWANFUZQWINQBY-NAWOPXAZSA-N 313.331 -0.400 50 10 DBGE CNC[C@H]1CN(CC(=O)NNC(=O)c2cccs2)CCO1 126589111 PPLDIICTJPTWFR-JTQLQIEISA-N 312.395 -0.571 50 10 DBGE CCCC(=O)NCC(=O)NNC(=O)Cc1cn2ccccc2n1 174686590 UBVGHTQOCXISPY-UHFFFAOYSA-N 317.349 -0.060 50 10 DBGE NC(=O)[C@@H](O)CNS(=O)(=O)c1ccc(CCCl)cc1 228799117 XRWUAFULPZBCKL-JTQLQIEISA-N 306.771 -0.408 50 10 DBGE C[C@](O)(CC(=O)NNC(=O)[C@@H]1COCCO1)c1ccccc1 272793513 XIPCMNDPCRJQQW-WFASDCNBSA-N 308.334 -0.153 50 10 DBGE CCCN1CCN(Cc2ccc(B(O)O)cc2F)S1(=O)=O 306116666 ZZSMGLHYAJKJHK-UHFFFAOYSA-N 316.163 -0.722 50 10 DBGE CNS(=O)(=O)[C@@H]1CCN(C(=O)NNC(=O)CCC(C)C)C1 366646109 UTJPJAOKIDFIKU-SNVBAGLBSA-N 320.415 -0.213 50 10 DBGE COC(=O)[C@H](Br)CN[C@@H]1CCCN(CCO)C1 384708426 LRFGOFFQQWIXFW-NXEZZACHSA-N 309.204 -0.031 50 10 DBGE O=C(O)Cc1cc(CC(=O)CBr)ccc1B(O)O 396135174 DMWSUJJRGFSQTB-UHFFFAOYSA-N 314.928 -0.500 50 10 DBGE Cn1nccc1CC(=O)NNC(=O)CNC(=O)OC(C)(C)C 496011286 QUWWVKXHBDDLOL-UHFFFAOYSA-N 311.342 -0.365 50 10 DBGE Cn1nnc(C(=O)N2CCCN(CCBr)CC2)n1 697191815 CCBAIKYEHQLJAP-UHFFFAOYSA-N 317.191 -0.247 50 10 DBGE CCOC[C@@H]1CN(Cc2cnc(C(=O)NN)s2)CCO1 711139368 CAVJHWAEWYKTRH-VIFPVBQESA-N 300.384 -0.016 50 10 DBGE O=S(=O)(NCc1ncc(B(O)O)s1)C1CC2(CCC2)C1 717674827 CZCIWYUKWHYLPE-UHFFFAOYSA-N 316.213 -0.425 50 10 DBGE C[C@@H]1CN(CC(=O)N[C@H]2CS(=O)(=O)C[C@@H]2Cl)C[C@H]1CN 723846037 VTEGGLUXZNZLNS-ZNSHCXBVSA-N 323.846 -0.966 50 10 DBGE COCCO[C@H](C)C(=O)NNC(=O)N[C@@H]1CCCN(C)C1 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Cc1sc(C(=O)N[C@@H]2CCOC[C@@H]2F)c(C)c1B(O)O 2282149606 NWIYLSQKIWPHKL-DTWKUNHWSA-N 301.148 -0.098 50 10 DBGE CCc1nc(C(=O)NC[C@H](C)CCOC)c(B(O)O)s1 2282150088 HHRHGFGFHXWYPA-MRVPVSSYSA-N 300.189 -0.212 50 10 DBGE Cc1nc(C(=O)N2CCOC[C@@H]2C(F)F)c(B(O)O)s1 2282155636 YPTQZIFWQXHKCP-ZCFIWIBFSA-N 306.099 -0.763 50 10 DBGE C[C@H](CNC(=O)c1ccc(Cl)c(B(O)O)c1)S(C)(=O)=O 2282169719 MAJVWXZGEWXXQJ-SSDOTTSWSA-N 319.575 -0.817 50 10 DBGE CC[C@H]1C[C@H](NS(=O)(=O)Cc2ccsc2B(O)O)CO1 2282336624 AKKSVNFRLAQENL-UWVGGRQHSA-N 319.213 -0.585 50 10 DBGE CCC(F)(F)CNS(=O)(=O)Cc1cccc(B(O)O)c1 2282343949 IWLCPVBVKULNLO-UHFFFAOYSA-N 307.127 -0.169 50 10 DBGE C[C@@H](NS(=O)(=O)Cc1ccccc1B(O)O)C(C)(F)F 2282344688 CUDPVGJZOYUBIK-MRVPVSSYSA-N 307.127 -0.171 50 10 DBGE C=C(CS(=O)(=O)N[C@H]1CCC(F)(F)C[C@H]1OC)B(O)O 2282357204 GXZPQAMEJBYMAE-DTWKUNHWSA-N 313.131 -0.323 50 10 DBGE COc1ccc(B(O)O)cc1S(=O)(=O)NCC[C@@H](C)F 2282357803 PALIICJTSNFZPU-MRVPVSSYSA-N 305.136 -0.599 50 10 DBGE C=C(CS(=O)(=O)N(C)[C@@H]1CCN(CC(C)C)C1)B(O)O 2282363751 QHQIOPAMNPRKFA-GFCCVEGCSA-N 304.221 -0.454 50 10 DBGE Cc1cc(B(O)O)ccc1S(=O)(=O)NCCC[C@@H](C)O 2282375125 LDPYKILTVTXDRR-SNVBAGLBSA-N 301.173 -0.886 50 10 DBGE C=C(CS(=O)(=O)N(C)CC12COC(CF)(C1)C2)B(O)O 2282375949 XDIPOOILLYFMCP-UHFFFAOYSA-N 307.152 -0.665 50 10 DBGE Cc1nc(CN(C)S(=O)(=O)c2cscc2B(O)O)co1 2282379343 SIUXJNSFBAXNNI-UHFFFAOYSA-N 316.169 -0.455 50 10 DBGE C[C@@H]1CC[C@H](CNS(=O)(=O)c2ccccc2B(O)O)S1 2282416310 UJQCLKMADYTUOK-NXEZZACHSA-N 315.225 -0.071 50 10 DBGE CSCC[C@H](C)NS(=O)(=O)c1ccc(F)c(B(O)O)c1 2282419582 WIPUCVUTBRKZKF-QMMMGPOBSA-N 321.204 -0.075 50 10 DBGE CC(C)(C)[S@@](C)(=O)=NS(=O)(=O)c1cccc(B(O)O)c1 2282422639 DNJYBKNGVRYNBY-LJQANCHMSA-N 319.213 -0.049 50 10 DBGE O=C(c1cc(B(O)O)sn1)N1C[C@H]2CCC(F)(F)[C@@H]2C1 2282434189 GRCBXJZZPYWBQI-RNFRBKRXSA-N 302.111 -0.060 50 10 DBGE O=C(N[C@@H]1C[C@H]2CN[C@@H](C2)C1)c1scc(B(O)O)c1Cl 2282481146 QVACHEIBXPJMFO-BIIVOSGPSA-N 314.603 -0.048 50 10 DBGE CC(C)(O)C1CC(NS(=O)(=O)c2cc(B(O)O)cs2)C1 2282509879 QQXLBMQICTZTLK-UHFFFAOYSA-N 319.213 -0.744 50 10 DBGE C[C@@H]1C[C@@H](CN)CCN1S(=O)(=O)c1cc(B(O)O)cs1 2282512375 SFKFSQGCJNAOID-BDAKNGLRSA-N 318.229 -0.824 50 10 DBGE C[C@H]1C[C@@H](N(C)S(=O)(=O)c2ccc(B(O)O)cc2)CS1 2282707628 BAMJXTWIIOXZNM-GXSJLCMTSA-N 315.225 -0.119 50 10 DBGE O=S(=O)(NCC1CC(F)(F)C1)c1cccc(B(O)O)c1 2282717796 OBMWFMAUCTUBDZ-UHFFFAOYSA-N 305.111 -0.310 50 10 DBGE O=S(=O)(c1cccc(B(O)O)c1)N1CC[C@@H]1C(F)(F)F 2282720033 UOWPUXFLCDFKKB-SECBINFHSA-N 309.074 -0.308 50 10 DBGE CCS(=O)(CC)=NS(=O)(=O)c1ccc(B(O)O)c(C)c1 2282721391 QCMVNDHSKSVSDM-UHFFFAOYSA-N 319.213 -0.129 50 10 DBGE Cc1sc(B(O)O)cc1S(=O)(=O)N(C)CCOC1CC1 2282721674 VFNLBXPJPVDGCE-UHFFFAOYSA-N 319.213 -0.464 50 10 DBGE C=C(CS(=O)(=O)N(C)C[C@@H]1OCCOC1(C)C)B(O)O 2282724630 NZCJOQHRAZSUOZ-JTQLQIEISA-N 307.177 -0.990 50 10 DBGE C=C(F)CN(C)S(=O)(=O)c1ccc(OC)c(B(O)O)c1 2282728372 RDIFRGZYSPIASY-UHFFFAOYSA-N 303.120 -0.521 50 10 DBGE C=C(CS(=O)(=O)N=[S@](C)(=O)c1ccc(N)cc1)B(O)O 2282730310 ZYYXESYVVMXKSN-LJQANCHMSA-N 318.185 -0.377 50 10 DBGE Cc1ccc(B(O)O)cc1S(=O)(=O)N1CCSC[C@@H]1C 2282731725 VKVLTFNRBGSCDL-JTQLQIEISA-N 315.225 -0.199 50 10 DBGE CN([C@@H]1CCC[C@@H]1CN)S(=O)(=O)c1cscc1B(O)O 2282735714 FRTVXTQPDMQQEF-PSASIEDQSA-N 318.229 -0.824 50 10 DBGE Cc1cc(S(=O)(=O)N2CC[C@H](C)[C@H]2CO)sc1B(O)O 2282741034 IWHCKYCQRJYQGL-IONNQARKSA-N 319.213 -0.872 50 10 DBGE Cc1cc(S(=O)(=O)NC[C@@H]2CC[C@H](O)C2)sc1B(O)O 2282741316 MILGCILVILYXIE-BDAKNGLRSA-N 319.213 -0.824 50 10 DBGE NC1(CNS(=O)(=O)Cc2ccsc2B(O)O)CCCC1 2282743774 TZCTVONEVNSNFB-UHFFFAOYSA-N 318.229 -0.881 50 10 DBGE Cc1ccc(NS(=O)(=O)Cc2ncsc2B(O)O)cn1 2282850088 KVKMVXLYRDSRNE-UHFFFAOYSA-N 313.169 -0.532 50 10 DBGE O=C(c1cccc(Cl)c1B(O)O)N1C[C@@H](F)[C@H](CO)C1 2283121513 YXMRXQXMJWRRPT-OIBJUYFYSA-N 301.510 -0.578 50 10 DBGE CS[C@H](C)[C@@H](NC(=O)c1cc(B(O)O)sc1C)C(=O)O 2284369734 YPBJEUGYCXKNRH-HZGVNTEJSA-N 317.197 -0.329 50 10 DBGE C[C@H](NC(=O)c1nscc1B(O)O)C(C)(C)CC(=O)O 2284378645 QFILDCHNQCVMST-LURJTMIESA-N 300.145 -0.558 50 10 DBGE O=C(O)C[C@@H]1CCCN1S(=O)(=O)c1cscc1B(O)O 2284409365 IFVVFWONUQZXFU-ZETCQYMHSA-N 319.169 -0.944 50 10 DBGE CCC[C@H](CC(=O)O)NS(=O)(=O)c1sccc1B(O)O 2284413747 NEKYISDPTYLTKM-SSDOTTSWSA-N 321.185 -0.650 50 10 DBGE CC(C)C[C@H](ONC(=O)c1cc(B(O)O)cs1)C(=O)O 2284457412 JLLDPMKHGPOKFT-QMMMGPOBSA-N 301.129 -0.411 50 10 DBGE O=C(N[C@@H]1C[C@@]2(C(=O)O)C[C@H]12)c1cc(B(O)O)c(Cl)s1 2284463957 COKYJCNQSBETRO-GPGOKOMYSA-N 315.543 -0.326 50 10 DBGE CS[C@@H](C)[C@H](NC(=O)c1scc(C)c1B(O)O)C(=O)O 2284468235 NVDHUCXIPGHFNN-XPUUQOCRSA-N 317.197 -0.329 50 10 DBGE OB(O)c1cc(NC[C@@]2(F)CNCCOC2)ncc1Cl 2294911765 KNGCAGGJSPTUNK-NSHDSACASA-N 303.530 -0.845 50 10 DBGE OC[C@@H]1[C@@H](O)[C@@H](O)CN1C[C@@]1(CBr)CC1(F)F 2306978115 XFWHEJFSGXTQFP-XAVMHZPKSA-N 316.142 -0.195 50 10 DBGE O=C(CS[C@H]1CC[C@H]1O)N[C@H]1CS(=O)(=O)C[C@H]1Cl 2321077015 NJAWSWPTCWQTPT-XAVMHZPKSA-N 313.828 -0.237 50 10 DBGE CC(C)(C)[C@@H](C(=O)NN)N1C[C@@H]2CCCS(=O)(=O)[C@@H]2C1 2353954098 XITRPZNRYFOLHS-HBNTYKKESA-N 303.428 -0.100 50 10 DBGE CC(C)S(=O)(=O)N(C)NC(=O)N1C[C@H]2C(C(=O)O)[C@@H]2C1 2365327462 MNVWXKZWCDUYAZ-HTQZYQBOSA-N 305.356 -0.457 50 10 DBGE CCN(CC(=O)N1CCC(C(=O)NN)CC1)[C@@H](C)COC 110585276 OJTLEAPQALKZNI-NSHDSACASA-N 300.403 -0.428 50 10 DBGE COCc1cc(C(=O)N[C@H]2CS(=O)(=O)C[C@@H]2Cl)no1 134659268 VAVBURIENUKYPZ-CBAPKCEASA-N 308.743 -0.045 50 10 DBGE O=C(COc1cc(F)cc(F)c1)NNC(=O)[C@H]1COCCO1 290339479 MTMXDKRRAFOWTI-LLVKDONJSA-N 316.260 -0.094 50 10 DBGE O=S(=O)(Nc1cc(B(O)O)ccc1Cl)N1CCOCC1 404864055 XPEUZUFVOWBGPU-UHFFFAOYSA-N 320.563 -0.991 50 10 DBGE Cc1ncc(S(=O)(=O)N(C)Cc2cc(B(O)O)cs2)[nH]1 404944687 RNWHVXUDUCLKOV-UHFFFAOYSA-N 315.185 -0.720 50 10 DBGE CCOC(=O)CCS(=O)(=O)Nc1ccc(B(O)O)cc1 404987905 XSVFBRHRYGDTMK-UHFFFAOYSA-N 301.129 -0.939 50 10 DBGE O=C(O)Cc1cc2c(B(O)O)csc2cc1[C@@H](O)C(=O)O 725323255 MVRSNQNGYFNQJY-LLVKDONJSA-N 310.092 -0.674 50 10 DBGE O=C(CC1CCCC1)NCC(=O)NNC(=O)[C@@H]1COCCO1 744642405 JPWMDWIKRYJSBD-NSHDSACASA-N 313.354 -0.754 50 10 DBGE O=C(NNC(=S)NCCc1ccccn1)[C@@H]1COCCO1 745173452 SCSOFHVXTSTYAL-NSHDSACASA-N 310.379 -0.465 50 10 DBGE COC(=O)c1cccc(NNC(=O)CS(=O)(=O)N(C)C)c1 752771399 JAUUKVULFBHKBN-UHFFFAOYSA-N 315.351 -0.192 50 10 DBGE C[C@@H]1CN(C(=O)NNC(=O)[C@H]2COCCO2)C[C@H](C2CC2)O1 792969429 BQCKNNGYJDGSJL-YUSALJHKSA-N 313.354 -0.358 50 10 DBGE CN(C)c1nc(O)cc(C(=O)NNC(=O)CC(F)(F)F)n1 802486796 KGZJEXHEPUQPOI-UHFFFAOYSA-N 307.232 -0.038 50 10 DBGE C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cc[nH]c1C1CC1 806788964 ZJZNSJSEWPDTQM-ZETCQYMHSA-N 314.367 -0.409 50 10 DBGE O=C(NNS(=O)(=O)c1cccc2c1OCO2)[C@H]1CCCO1 814216502 OPBHDFPJMOVZLE-SECBINFHSA-N 314.319 -0.096 50 10 DBGE C=CCOCCCC(=O)NNC(=O)[C@@H]1CCc2nncn2C1 816874815 LKHCPPPVCFAWSU-LLVKDONJSA-N 307.354 -0.029 50 10 DBGE O=C(NNC(=O)[C@H]1CCCO1)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 817214502 UMQQZTSBXKQDJM-PSASIEDQSA-N 307.310 -0.911 50 10 DBGE COCCCNC(=O)NNS(=O)(=O)C[C@@H](OC)C1CC1 842581395 CRGUDATZFXEXSS-SNVBAGLBSA-N 309.388 -0.419 50 10 DBGE Cn1cnnc1N1CCN(CC(=O)NNC(=O)C(C)(C)C)CC1 847034277 AOUWIRXHYGEJDD-UHFFFAOYSA-N 323.401 -0.869 50 10 DBGE CCC(CC)N1C[C@H](C(=O)NNC(=O)c2cn(C)nn2)CC1=O 855184391 BNUFTEHAGKBIHN-SECBINFHSA-N 322.369 -0.387 50 10 DBGE CN1CC[C@@H](C(=O)NNc2ncc(Cl)cn2)S1(=O)=O 857358871 KFXYLLUZGXULAP-ZETCQYMHSA-N 305.747 -0.393 50 10 DBGE CC(C)NC(=O)C(=O)NNC(=O)[C@@H]1C[C@]1(C)Br 858168590 YDKHFXWFYLPONP-WKEGUHRASA-N 306.160 -0.168 50 10 DBGE CC[C@@H]1NCC[C@H]1NC(=O)NNc1nc(O)c2cnn(C)c2n1 861675727 SZQDATGBIRPBIK-DTWKUNHWSA-N 320.357 -0.165 50 10 DBGE C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H]1CCCC12CC2 863866659 KNQZQRLNPPANNA-BDAKNGLRSA-N 303.384 -0.348 50 10 DBGE CCn1nc(C(=O)NNC(=O)[C@H]2COCCO2)cc1C1CC1 906867983 RZELXNVSHJNSMT-GFCCVEGCSA-N 308.338 -0.043 50 10 DBGE COC(=O)C12CC(C(=O)NNC(=O)Cc3cc(C)[nH]n3)(C1)C2 1143272857 HUFVRKMHIVALHY-UHFFFAOYSA-N 306.322 -0.249 50 10 DBGE N#Cc1cccc(C(=O)NNC(=O)CN2CC[C@@H](O)[C@H](F)C2)c1 1198553132 LNPMTZZANWUDOQ-CHWSQXEVSA-N 320.324 -0.276 50 10 DBGE C[C@H](Cc1cccnc1)NC(=O)NNC(=O)c1cn(C)nn1 1256318840 OWTRRHJQEAUGRD-SECBINFHSA-N 303.326 -0.215 50 10 DBGE C[C@@H](C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1)c1ccncc1 1290348555 BYCBZXNKAPXASC-KOLCDFICSA-N 311.363 -0.233 50 10 DBGE Cn1cc(C(=O)NNC(=O)NCc2nc(C3CC3)n[nH]2)cn1 1312772836 DFYFYHWVEAFDPZ-UHFFFAOYSA-N 304.314 -0.440 50 10 DBGE C[C@@H](O)[C@H](NC(=O)C1CC1)C(=O)NNC(=O)Cc1ccccn1 1320031758 RTWIQQYNJNPUBF-RNCFNFMXSA-N 320.349 -0.953 50 10 DBGE CN1CCC[C@H](NC(=O)NNC(=O)C(=O)Nc2ccccn2)C1 1340294109 XGFSSLNXPWHXIM-JTQLQIEISA-N 320.353 -0.555 50 10 DBGE O=C(CCc1ccccc1)NNC(=O)c1nnc(O)nc1O 1442997909 OEWPVKWOWGPCJJ-UHFFFAOYSA-N 303.278 -0.323 50 10 DBGE O=C1C[C@@H](C(F)(F)F)[C@H](C(=O)NNC(=O)c2cn[nH]c2)CN1 1461837127 MPKICVUMUHHRSU-RNFRBKRXSA-N 319.243 -0.515 50 10 DBGE CCn1cccc(CNC(=O)c2cccc(B(O)O)c2)c1=O 1467651382 GHEHHLGDEBHGDS-UHFFFAOYSA-N 300.123 -0.522 50 10 DBGE 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305.161 -0.183 50 10 DBGE Cc1cc(S(=O)(=O)N(C)[C@H]2CCSC2)sc1B(O)O 2267381935 CKXKMAODPXOZJV-QMMMGPOBSA-N 321.254 -0.138 50 10 DBGE C[C@@H](NS(=O)(=O)c1cscc1B(O)O)C(C)(C)CO 2267386890 AORUPIBDDGRFRY-SSDOTTSWSA-N 307.202 -0.887 50 10 DBGE Cc1sc(B(O)O)cc1S(=O)(=O)N[C@@H](C)C[C@@H](C)O 2267389415 OACYEBXRBSVUPQ-NKWVEPMBSA-N 307.202 -0.826 50 10 DBGE CCC[C@H](CNS(=O)(=O)c1cscc1B(O)O)OC 2267389524 PSNNABFLEIAYRA-MRVPVSSYSA-N 307.202 -0.479 50 10 DBGE O=S(=O)(c1cscc1B(O)O)N1C[C@@H]2CSC[C@H]2C1 2267418916 MJFLWUIEGQVMFB-HTQZYQBOSA-N 319.238 -0.589 50 10 DBGE C[C@@H]1CN(S(=O)(=O)c2ccc(B(O)O)cc2)CCS1 2267420658 WQXBIBCKVGRPEE-SECBINFHSA-N 301.198 -0.508 50 10 DBGE O=C(c1cc(B(O)O)c(Cl)s1)N(CCO)CC(F)F 2267427917 ZXKMAHWWDGIVNU-UHFFFAOYSA-N 313.518 -0.219 50 10 DBGE CSCC[C@H](NC(=O)c1ccc(B(O)O)s1)C(=O)O 2269048076 CVNCHKZORSAHMX-LURJTMIESA-N 303.170 -0.636 50 10 DBGE CN(CC(=O)N[C@H]1CS(=O)(=O)C[C@H]1Cl)CC1COC1 2269769573 WUKCGURSIVDJAU-ZJUUUORDSA-N 310.803 -0.915 50 10 DBGE C[C@H]1CC[C@H](S(C)(=O)=O)CN1Cc1cc(B(O)O)cs1 2279339333 JGAFTCAXGDYWAY-CABZTGNLSA-N 317.241 -0.175 50 10 DBGE Cn1ccnc1SCCNC(=O)c1cscc1B(O)O 2281605710 STYCNTUVHKLWFI-UHFFFAOYSA-N 311.197 -0.317 50 10 DBGE CCC[C@H](CCO)NC(=O)c1nn(C)c(Cl)c1B(O)O 2281660630 QHYDPOOHGBHEIE-SSDOTTSWSA-N 303.555 -0.966 50 10 DBGE CCCS(=O)(=O)C[C@@H](C)NC(=O)c1sccc1B(O)O 2281747752 RHPBHXJNIQFIQE-MRVPVSSYSA-N 319.213 -0.629 50 10 DBGE N[C@@H]1CC[C@@H]2CN(C(=O)c3cc(B(O)O)c(Cl)s3)C[C@@H]21 2281922418 SEVQPCSLSJHWCY-BKPPORCPSA-N 314.603 -0.109 50 10 DBGE Cc1cc(C)nc(NS(=O)(=O)c2sccc2B(O)O)n1 2282074164 SEXJMHQIRLSZOL-UHFFFAOYSA-N 313.169 -0.364 50 10 DBGE C[C@@H](CNS(=O)(=O)c1cc(B(O)O)cs1)N(C)C1CC1 2282084661 QMGTXNWZTWDKGH-QMMMGPOBSA-N 318.229 -0.811 50 10 DBGE CS[C@H]1CCC[C@@H]1NS(=O)(=O)c1ccccc1B(O)O 2282090015 JDTKDGQUEJJQQN-QWRGUYRKSA-N 315.225 -0.071 50 10 DBGE O=C(c1cc(Cl)ccc1B(O)O)N1C[C@@H](O)C[C@H](F)C1 2282158044 GUXOOXALOLEBBR-IUCAKERBSA-N 301.510 -0.435 50 10 DBGE O=C(c1cccc(B(O)O)c1Cl)N1CCO[C@@H](CF)C1 2282159745 ZGWPLDJQJTZNSS-QMMMGPOBSA-N 301.510 -0.170 50 10 DBGE COCCN(C(=O)c1ccsc1B(O)O)[C@H](C)COC 2282249245 FZXKAMNVDOXFNO-SECBINFHSA-N 301.173 -0.449 50 10 DBGE C[C@H]1CC[C@@H](NC(=O)c2nn(C)c(Cl)c2B(O)O)CO1 2282249692 LYQCINLXWHKSDS-NKWVEPMBSA-N 301.539 -0.949 50 10 DBGE Cc1cc(C(=O)N2CCS[C@@H](CCO)C2)sc1B(O)O 2282268720 SDZZIYNWDUXPCC-VIFPVBQESA-N 315.225 -0.324 50 10 DBGE O=C(c1ccc(Cl)cc1B(O)O)N1CCOC[C@H]1CF 2282292311 TXYFZBLUNVOUPL-SECBINFHSA-N 301.510 -0.170 50 10 DBGE C[C@@H]1CCN(S(=O)(=O)c2ccc(Cl)c(B(O)O)c2)C1=O 2282355859 LYUKJPINZYJCQL-SSDOTTSWSA-N 317.559 -0.423 50 10 DBGE C[C@@H](CCN)N(C)S(=O)(=O)c1ccc(B(O)O)cc1Cl 2282357386 JOBDRWZHGFBWKL-QMMMGPOBSA-N 320.607 -0.622 50 10 DBGE C#C[C@H]1CCCCN1S(=O)(=O)c1cc(B(O)O)sc1C 2282361351 PLKNGPUBVWGGCI-JTQLQIEISA-N 313.209 -0.087 50 10 DBGE CN[C@H]1CCCN(S(=O)(=O)c2cc(C)c(B(O)O)s2)C1 2282369512 HLTSMXPBZCJGGT-VIFPVBQESA-N 318.229 -0.891 50 10 DBGE Cc1ccc(S(=O)(=O)N(C)CC[C@H](C)O)c(B(O)O)c1 2282371307 IEDQAAVDOBONRM-JTQLQIEISA-N 301.173 -0.934 50 10 DBGE Cn1cc(C(=O)NCCc2ccc(Cl)s2)c(B(O)O)n1 2282384404 MICAICQJJNHSEX-UHFFFAOYSA-N 313.575 -0.213 50 10 DBGE C[C@H]1COCC[C@H]1NS(=O)(=O)Cc1ccsc1B(O)O 2282407885 DPYQBMCYLTYAJQ-WCBMZHEXSA-N 319.213 -0.728 50 10 DBGE Cc1cc(B(O)O)c(C(=O)N[C@](C)(CO)C(F)(F)F)s1 2282421822 SYGURSOQANNMDO-SECBINFHSA-N 311.090 -0.221 50 10 DBGE N#C[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1sccc1B(O)O 2282703340 VHYOYNASDLKFJR-WPRPVWTQSA-N 314.197 -0.211 50 10 DBGE C[C@H]1CCN(S(=O)(=O)c2ccc(B(O)O)s2)C[C@@H]1CO 2282709572 YBASFWQXYLOUNI-DTWKUNHWSA-N 319.213 -0.933 50 10 DBGE Cc1ccc(S(=O)(=O)N(CCN)C(C)C)c(B(O)O)c1 2282720589 CGPNHHMQBRAKFU-UHFFFAOYSA-N 300.189 -0.967 50 10 DBGE COc1ccc(B(O)O)cc1S(=O)(=O)N(C)CC(F)F 2282722968 ASSXLDQHBXKLQE-UHFFFAOYSA-N 309.099 -0.739 50 10 DBGE Cc1cc(S(=O)(=O)N2CCO[C@H](CF)C2)sc1B(O)O 2282731119 MPSDVALUFAUWNI-MRVPVSSYSA-N 323.176 -0.905 50 10 DBGE Cc1sc(B(O)O)cc1S(=O)(=O)N1CCC[C@H](C#N)C1 2282732015 ZMWCEWBXDRFCNW-SECBINFHSA-N 314.197 -0.339 50 10 DBGE C[C@@H]1CC[C@@H](CNS(=O)(=O)Cc2ccsc2B(O)O)O1 2282738335 SZRJJHHWHNSHOQ-SCZZXKLOSA-N 319.213 -0.585 50 10 DBGE C=C(CS(=O)(=O)N1CCC[C@H](N(CC)CC)C1)B(O)O 2282739451 JPCXGJPNIUJXOA-LBPRGKRZSA-N 304.221 -0.309 50 10 DBGE CN[C@H]1CCN(S(=O)(=O)c2ccc(B(O)O)cc2Cl)C1 2282739488 KBMLSQLCLBULJB-VIFPVBQESA-N 318.591 -0.998 50 10 DBGE C[C@H]1C[C@@H](C)N(S(=O)(=O)c2cscc2B(O)O)CCN1 2282741848 TXCHWGTTZZNHDL-DTWKUNHWSA-N 318.229 -0.811 50 10 DBGE CS(=O)(=O)NC(=O)c1ccc(B(O)O)cc1C(F)(F)F 2284443093 YEICSSBYWGDRMW-UHFFFAOYSA-N 311.046 -0.925 50 10 DBGE Cc1csc(C(=O)N[C@@H](CC(=O)O)C(F)F)c1B(O)O 2284458199 RXTIHNIVDAFVGM-YFKPBYRVSA-N 307.083 -0.425 50 10 DBGE O=C(c1cc(B(O)O)cs1)N1CC[C@](CF)(C(=O)O)C1 2284461007 JKBCHMMUIRXHPV-LLVKDONJSA-N 301.104 -0.686 50 10 DBGE O=C(NC[C@]1(F)C[C@H](C(=O)O)C1)c1ccsc1B(O)O 2284467735 ZHAJBHURZJNITK-MHWOZMEASA-N 301.104 -0.639 50 10 DBGE O=C(N[C@@]12CC[C@@](CF)(C1)OC2)c1cc(B(O)O)sn1 2290455401 VPUUFFDCUYKRET-QWRGUYRKSA-N 300.120 -0.786 50 10 DBGE C[S@@](=O)CC1CN(C[C@@]23CC[C@@](C(=O)NN)(CO2)C3)C1 2290486125 BOYWQCBDFACZPT-KQHSUYLTSA-N 301.412 -0.774 50 10 DBGE Cc1cc(C(=O)NCCOC(C)(C)CN)sc1B(O)O 2295769869 YFCZPSBOKVUDFF-UHFFFAOYSA-N 300.189 -0.780 50 10 DBGE O=S(=O)(N[C@H]1[C@@H]2CCO[C@@H]21)c1cc(Cl)c(B(O)O)s1 2334267231 PNVNOUGRXBYRPS-YRKVQTBBSA-N 323.588 -0.853 50 10 DBGE CN(C(=O)c1cnsc1B(O)O)[C@@H](CC(=O)O)C(F)F 2362507949 JSWSKTPJYSHJIH-YFKPBYRVSA-N 308.071 -0.997 50 10 DBGE C=C(CS(=O)(=O)N[C@]1(C(=O)O)CC[C@@H](C)CC1)B(O)O 2362602571 CDMVNNRURKRIJA-JLIMDTESSA-N 305.161 -0.493 50 10 DBGE CCCS(=O)(=O)N(C)NC(=O)c1scc(B(O)O)c1C 2365250674 QEBDXXGBHSAOPP-UHFFFAOYSA-N 320.201 -0.947 50 10 DBGE C[C@@H]1CC[C@H]([C@H](NC(=O)NN(C)S(C)(=O)=O)C(=O)O)O1 2365279422 GHHHOMRMHWOUIZ-PRJMDXOYSA-N 309.344 -0.887 50 10 DBGE CCOCCC(=O)NNC(=S)NC(=O)/C=C/C(=O)OCC 14663568 IKQOVPQWIJTWHE-AATRIKPKSA-N 317.367 -0.446 50 10 DBGE CCOC(=O)C(=O)NNC(=O)[C@H](C)NC(=O)OC(C)(C)C 38440235 MJMKIESBAUTPFA-ZETCQYMHSA-N 303.315 -0.390 50 10 DBGE O=C1C[C@H](C(=O)NNC(=O)c2cc(-c3ccccc3)n[nH]2)CN1 124612485 RLYBBXXYDFKAOR-JTQLQIEISA-N 313.317 -0.026 50 10 DBGE CS(=O)(=O)CS(=O)(=O)N1CC[C@H](Br)C1 167622696 MGNRHBUYCQDEKZ-LURJTMIESA-N 306.203 -0.213 50 10 DBGE C[C@H](CCl)CS(=O)(=O)N1CC[C@]2(C1)NC(=O)NC2=O 167959340 OEOFRCDDGWHTDV-GMSGAONNSA-N 309.775 -0.525 50 10 DBGE CN(C)CC(=O)NNC(=O)c1nn(-c2ccccc2)cc1O 171180286 SLUFICJKSNPENR-UHFFFAOYSA-N 303.322 -0.100 50 10 DBGE N#C/C(=C/N[C@@H]1CCS(=O)(=O)C1)C(=O)NC[C@@H]1CCCO1 216938070 SUPQWTWNUHJGPJ-GZDUMXDUSA-N 313.379 -0.534 50 10 DBGE C[C@@H](NC(=O)C(C)(C)C)C(=O)NNC(=O)[C@@H]1COCCO1 744648716 ZKGAFTUAGQMKBO-BDAKNGLRSA-N 301.343 -0.900 50 10 DBGE COCCO[C@H](C)C(=O)NNC(=O)NCC[C@H]1CCOC1 753376327 FDTPAPKBEYWNNY-MNOVXSKESA-N 303.359 -0.205 50 10 DBGE O=C(NNC(=S)NC[C@@H]1CCCO1)[C@@H]1CCc2nncn2C1 793271701 OKFWIMAYACSABV-ZJUUUORDSA-N 324.410 -0.485 50 10 DBGE CC(C)OCCCNC(=O)NNC(=O)[C@@H]1CCc2nncn2C1 814271424 JUVYOYMCFGXDJU-LLVKDONJSA-N 324.385 -0.014 50 10 DBGE Cc1cnn(C)c1S(=O)(=O)NNC(=O)[C@@H]1CCCS1 818053457 YHLDPWTYSNLBSN-QMMMGPOBSA-N 304.397 -0.066 50 10 DBGE Cc1cnc(CCNC(=O)NNC(=O)[C@@H]2COCCO2)c(C)c1 847415036 UWUFHOKPOZSQKI-ZDUSSCGKSA-N 322.365 -0.013 50 10 DBGE CO[C@H](C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1)C1CCC1 854294778 LCUAHONWRSIBGR-UWVGGRQHSA-N 304.368 -0.616 50 10 DBGE C[C@@H](OC[C@@H]1CCCCO1)C(=O)NNC(=O)c1cn(C)nn1 855186370 RZGCMTAKPMXTLM-ZJUUUORDSA-N 311.342 -0.450 50 10 DBGE Cc1ccccc1C(=O)NNC(=O)N1CCO[C@H](CC(N)=O)C1 858097704 WJMSWBQYTMBSHU-LLVKDONJSA-N 320.349 -0.074 50 10 DBGE O=C(NNC(=O)[C@@]1(C2CCCC2)CCNC1=O)c1cnn[nH]1 859231050 RJRLLXMGRWYZLO-CYBMUJFWSA-N 306.326 -0.738 50 10 DBGE CCOC(=O)C1=CC[C@@H](NC(=O)c2cc(B(O)O)ccc2F)C1 863887225 FPKONYVACMAGPF-LLVKDONJSA-N 321.113 -0.113 50 10 DBGE NC[C@H]1CN(CC(=O)NNC(=O)C2CC2)C[C@@H]1C(F)(F)F 872150212 DVJVTBVYABFSRY-IUCAKERBSA-N 308.304 -0.387 50 10 DBGE CS(=O)(=O)CC(=O)NNC(=O)c1cnc2ccccc2n1 1149617605 OJHXNPBMOFTKLZ-UHFFFAOYSA-N 308.319 -0.565 50 10 DBGE Cc1cnn(CCC(=O)NNC(=O)c2nc[nH]c3ncnc2-3)c1 1154493116 VGYKVGFZBVUEFD-UHFFFAOYSA-N 314.309 -0.339 50 10 DBGE CCCN1C[C@@H](CNC(=O)NNC(=O)[C@H]2CCCO2)CC1=O 1312890682 NUTLZUNZYMDZEH-GHMZBOCLSA-N 312.370 -0.246 50 10 DBGE Cc1nc(C(=O)NNC(=O)NCC(F)(F)F)c(=O)[nH]c1C 1321299308 SOIBKELJFFHWFH-UHFFFAOYSA-N 307.232 -0.107 50 10 DBGE Cc1cc(C2(C(=O)NNC(=O)C(C)(C)O)CCOCC2)on1 1329403807 ZHERIYMKZNKFAW-UHFFFAOYSA-N 311.338 -0.050 50 10 DBGE CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@H](C)n1cnc(C#N)n1 1339825449 SRTJTPQRELPWAF-YUMQZZPRSA-N 308.298 -0.800 50 10 DBGE COC(=O)C(=O)NNC(=O)NC[C@]12OCCC[C@H]1C2(F)F 1347324298 ZMRXJZBVRGIDID-LDWIPMOCSA-N 307.253 -0.696 50 10 DBGE Cc1cc(C)nc(-n2[nH]c(C(=O)NNC(=O)C(C)C)cc2=O)n1 1440592257 COMHQIRRKFCHFY-UHFFFAOYSA-N 318.337 -0.011 50 10 DBGE Cn1cc(C(=O)NNC(=O)CCc2ccncn2)ccc1=O 1472185855 CJPIWUXTVZECBN-UHFFFAOYSA-N 301.306 -0.431 50 10 DBGE O=C(NC[C@H]1CCCO1)NNC(=O)c1nc[nH]c2ncnc1-2 1564783408 GNHSZSWGIOWRME-SSDOTTSWSA-N 305.298 -0.573 50 10 DBGE CCC/C=C\[C@H](O)C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 1597425610 FIQKVNOUCLPJIF-OOMSKYPHSA-N 319.383 -0.779 50 10 DBGE O=C(NC[C@@H](O)COc1ccccc1)c1cccc(B(O)O)c1 1622497169 AVXBKAOYZIQLAS-CQSZACIVSA-N 315.134 -0.464 50 10 DBGE COCCCNC(=O)NNC(=O)c1cc(C(=O)OC)ccn1 1626816766 OKIZKYCXRAOLOW-UHFFFAOYSA-N 310.310 -0.151 50 10 DBGE Cn1cc(C(=O)NNC(=O)C[C@H]2C(=O)Nc3ccccc32)nn1 1632794767 HOJZRDBHJIMXNZ-SECBINFHSA-N 314.305 -0.298 50 10 DBGE CN(C)N(C(=O)CCCCNC(N)=O)[C@@H]1CCS(=O)(=O)C1 1638428288 OSSRTNCCFCAZEL-SNVBAGLBSA-N 320.415 -0.683 50 10 DBGE Cc1ccc(NCC(=O)NNC(=O)c2cc(=O)n(C)cn2)cc1 1641116504 LIVMKCAWCVTDPX-UHFFFAOYSA-N 315.333 -0.038 50 10 DBGE CCNc1nc(C(=O)NNC(=O)CN2CCCC2=O)cs1 1642896237 AVFOAFSZMXDSRG-UHFFFAOYSA-N 311.367 -0.042 50 10 DBGE Cn1cc(C(=O)NNC(=O)NCc2cnn(CCF)c2)cn1 1676440842 MWLMJXBKCSXTLM-UHFFFAOYSA-N 309.305 -0.270 50 10 DBGE Cn1cnc(CCNC(=O)NNC(=O)c2ccc(=O)n(C)c2)c1 1683005579 KWYNEMWOEOWZHW-UHFFFAOYSA-N 318.337 -0.695 50 10 DBGE COC(=O)CS(=O)(=O)N[C@H](CBr)C(=O)OC 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318.337 -0.347 50 10 DBGE Cn1nnc2c1C[C@H](C(=O)NNC(=O)[C@@H]1CCCCO1)CC2 1436506424 IHZMINHOUMPLAY-SKDRFNHKSA-N 307.354 -0.364 50 10 DBGE COc1cccc([C@H](O)CNC(=O)c2ccc(B(O)O)cc2)c1 1445800669 NXLAWBRXZHOIFB-OAHLLOKOSA-N 315.134 -0.162 50 10 DBGE COc1cccc(C(=O)NNC(=O)c2cc(O)ncn2)c1O 1457551312 BMSGEUBWQMZDAP-UHFFFAOYSA-N 304.262 -0.029 50 10 DBGE COc1ccc(C=O)cc1C(=O)NNC(=O)[C@@H]1COCCO1 1465563120 IMJFAIHMKDKTID-LBPRGKRZSA-N 308.290 -0.316 50 10 DBGE Cn1ccc(-c2cc(C(=O)NNC(=O)[C@H]3COCCO3)no2)n1 1524182487 FXCZOKORJJITIA-LLVKDONJSA-N 321.293 -0.749 50 10 DBGE C=C[C@@H](O)C(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12 1540305152 GXVCBTOHYJXXFN-SNVBAGLBSA-N 302.290 -0.759 50 10 DBGE O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1ocnc1C1CC1 1540554374 AJQUIXOSAKLHOD-QMMMGPOBSA-N 313.335 -0.252 50 10 DBGE Cn1cc([C@H](O)C(=O)NNC(=O)c2n[nH]c3c2CCCC3)cn1 1540618341 NYJLFGFHPFJQRU-LBPRGKRZSA-N 318.337 -0.483 50 10 DBGE Cc1ccccc1CC(=O)NNC(=O)NCc1nc(N)n[nH]1 1565223982 ARKHWTQYUZUDML-UHFFFAOYSA-N 303.326 -0.232 50 10 DBGE 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O=S(=O)(N[C@@H]1C[C@H]1C(F)(F)F)c1cc(B(O)O)cs1 2267200712 YFVUQSMYNHZWFC-PHDIDXHHSA-N 315.103 -0.343 50 10 DBGE CC[C@H](CN(C)C)NS(=O)(=O)c1sccc1B(O)O 2267211289 KEZJCLAXMKTCKB-MRVPVSSYSA-N 306.218 -0.954 50 10 DBGE CP(C)(=O)[C@H]1CCN(C(=O)c2sncc2B(O)O)C1 2267246130 JLHGPPOLKCHYLG-ZETCQYMHSA-N 302.101 -0.340 50 10 DBGE C[C@@H]1CCN(C(=O)c2cc(B(O)O)c(Cl)s2)CCN1 2267248658 MUGXSPMKEBNRKY-SSDOTTSWSA-N 302.592 -0.095 50 10 DBGE C#CCN(CCC)S(=O)(=O)Cc1ccsc1B(O)O 2267373284 BAGUBKHVWDYXFR-UHFFFAOYSA-N 301.198 -0.397 50 10 DBGE O=S(=O)(Cc1ccsc1B(O)O)NC1(C(F)F)CC1 2267374298 PKVFONDMOMEPDR-UHFFFAOYSA-N 311.140 -0.355 50 10 DBGE CO[C@@H]1CC[C@H]1CNS(=O)(=O)c1cscc1B(O)O 2267390337 BWTKAFDQKMFHRK-IONNQARKSA-N 305.186 -0.869 50 10 DBGE C#CCCCCCNS(=O)(=O)c1cscc1B(O)O 2267391771 GTFXBRHDQAXDLT-UHFFFAOYSA-N 301.198 -0.100 50 10 DBGE CS[C@@H](CO)[C@@H](C)NC(=O)c1cc(B(O)O)sc1C 2267399301 FYYSGIZVOBPJNU-MUWHJKNJSA-N 303.214 -0.421 50 10 DBGE CS(=O)(=O)[C@@H]1CSCCN1C(=O)C1CC(B(O)O)C1 2267449046 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50 10 DBGE O=C(NC[C@@H](O)C(F)(F)F)c1cccc(B(O)O)c1Cl 2281693283 LFEPBFTYEZTDNZ-SSDOTTSWSA-N 311.452 -0.327 50 10 DBGE Cc1cc(C(=O)NC[C@@](C)(O)C(F)(F)F)c(B(O)O)s1 2281886989 YMTOHAFHHKJYCR-SECBINFHSA-N 311.090 -0.221 50 10 DBGE O=C(NCCCn1cc(Cl)cn1)c1sncc1B(O)O 2281907115 XAVQWMCWDSTYEA-UHFFFAOYSA-N 314.563 -0.507 50 10 DBGE COC[C@H]1CCCCN1S(=O)(=O)c1sccc1B(O)O 2282068223 AGRWTBMZJGTLSA-SECBINFHSA-N 319.213 -0.383 50 10 DBGE CCCC[C@H](C)N(C)S(=O)(=O)c1cc(B(O)O)nn1C 2282068411 CUQXYIOTRDFWFQ-VIFPVBQESA-N 303.193 -0.701 50 10 DBGE O=S(=O)(NC[C@@H]1CCCC[C@@H]1O)c1cc(B(O)O)cs1 2282068896 JBWGQNQLLSHERQ-WPRPVWTQSA-N 319.213 -0.743 50 10 DBGE CC(C)[C@](C)(CO)NS(=O)(=O)c1cccc(B(O)O)c1 2282085170 VEABXKMPKRCTRP-LBPRGKRZSA-N 301.173 -0.948 50 10 DBGE C[C@@H]1CSCCN(S(=O)(=O)c2cccc(B(O)O)c2)C1 2282091845 ZJSTULRZJASCDJ-JTQLQIEISA-N 315.225 -0.260 50 10 DBGE CSC[C@@H]1CCN(S(=O)(=O)c2cncc(B(O)O)c2)C1 2282096147 MMAXYHCYWIYJGO-SECBINFHSA-N 316.213 -0.865 50 10 DBGE CNCCN(CC(F)(F)F)C(=O)c1csnc1B(O)O 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303.189 -0.369 50 10 DBGE Cc1sc(B(O)O)cc1S(=O)(=O)NC1(CN)CCCC1 2282358093 UDENGPAHZWYRAT-UHFFFAOYSA-N 318.229 -0.714 50 10 DBGE C=C(CS(=O)(=O)Nc1ccc(O)c([N+](=O)[O-])c1)B(O)O 2282361401 QEASXLVOLJXXPJ-UHFFFAOYSA-N 302.073 -0.390 50 10 DBGE Cc1nnc(NS(=O)(=O)c2cc(B(O)O)ccc2C)s1 2282366338 MLXPFPSGJNRVDI-UHFFFAOYSA-N 313.169 -0.364 50 10 DBGE C=C(CS(=O)(=O)N[C@H]1CC[C@@H](CN(C)C)CC1)B(O)O 2282370533 XGOPMUUYUCUJFG-TXEJJXNPSA-N 304.221 -0.406 50 10 DBGE Cc1cc(S(=O)(=O)N[C@H](C)C2(CO)CC2)sc1B(O)O 2282374148 XHBUSUVOTIGCEK-MRVPVSSYSA-N 319.213 -0.824 50 10 DBGE O=S(=O)(Nc1ccnnc1)c1ccc(Cl)c(B(O)O)c1 2282374493 BVHHKVIBAJWGJB-UHFFFAOYSA-N 313.531 -0.389 50 10 DBGE Cc1cc(S(=O)(=O)N2C[C@H]3COCC[C@H]32)sc1B(O)O 2282375322 NQFMGDZCQYNSTD-DTWKUNHWSA-N 317.197 -0.854 50 10 DBGE CC(C)[C@H](C)CN(C)S(=O)(=O)Cc1ncsc1B(O)O 2282377647 UGWJTKXHFPWGPH-SECBINFHSA-N 320.245 -0.123 50 10 DBGE O=S(=O)(Cc1ncsc1B(O)O)N1CC[C@@H]2CC[C@H]2C1 2282385128 WCNJOECEJNTDKF-IUCAKERBSA-N 316.213 -0.615 50 10 DBGE CC[C@@]12C[C@@H]1CN(S(=O)(=O)Cc1ccsc1B(O)O)C2 2282410394 WLLSSAZZCFTXAZ-PWSUYJOCSA-N 315.225 -0.010 50 10 DBGE C[C@@H](NS(=O)(=O)c1cncc(B(O)O)c1)c1cnsc1 2282425303 OBRRQPIOWBHGHU-SSDOTTSWSA-N 313.169 -0.743 50 10 DBGE Cc1nn(C)c(B(O)O)c1C(=O)NC[C@]1(Cl)CC1(F)F 2282431415 SFNOSUWRLXNUPW-SECBINFHSA-N 307.493 -0.845 50 10 DBGE CS(=O)(=O)C[C@@H]1CCCCN1C(=O)C1CC(B(O)O)C1 2282486123 WCQJVCIQBVQKNJ-ILDUYXDCSA-N 303.189 -0.335 50 10 DBGE CC1(C)C[C@@H](O)CCN1S(=O)(=O)c1sccc1B(O)O 2282512473 SYBPNLGAZWKUOP-QMMMGPOBSA-N 319.213 -0.648 50 10 DBGE CC[C@@]1(C)CCN(S(=O)(=O)c2cc(B(O)O)cs2)C1=O 2282704580 LWCQZENTYGQNPO-NSHDSACASA-N 317.197 -0.235 50 10 DBGE O=S(=O)(NCCC1CCOCC1)c1cc(B(O)O)cs1 2282710106 JUHPRAVKSRABIL-UHFFFAOYSA-N 319.213 -0.477 50 10 DBGE C[C@H]1CC[C@@H](CCNS(=O)(=O)c2ccc(B(O)O)s2)O1 2282710776 SHSVDCQJSJDBRQ-IUCAKERBSA-N 319.213 -0.336 50 10 DBGE CC(C)C[C@H](CN)NS(=O)(=O)c1cccc(B(O)O)c1 2282718880 DLOYYKNFLSVGEI-LLVKDONJSA-N 300.189 -0.982 50 10 DBGE 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C[C@H]([C@@H](C)S(C)(=O)=O)N(C)CCC(F)(F)C(=O)NN 2121974401 CUQCKJUKBBUXLD-HTQZYQBOSA-N 301.359 -0.245 50 10 DBGE O=S(=O)(NCc1sccc1B(O)O)N1C[C@H]2CC[C@H]2C1 2149313468 XNGCWNMPFPPWFQ-DTORHVGOSA-N 316.213 -0.896 50 10 DBGE NNC(=O)c1sncc1CN1CC[C@@H]2CS(=O)(=O)C[C@H]21 2173340153 QVEJYFWRKHZQAG-VXNVDRBHSA-N 316.408 -0.635 50 10 DBGE O=C1CC(CS(=O)(=O)N2CC[C@@H]3C(=O)OC(=O)[C@H]3C2)C1 2173344269 OZSGOYMPMDAEIV-UWVGGRQHSA-N 301.320 -0.683 50 10 DBGE CCOCCNC(=O)N(C)Cc1scc(C)c1B(O)O 2191845418 XSIGSSFRZYENMB-UHFFFAOYSA-N 300.189 -0.086 50 10 DBGE N[C@H]1CC[C@H](Oc2ncc(Br)cc2B(O)O)C1 2217164758 CRFICHJKCBAFNH-YUMQZZPRSA-N 300.949 -0.218 50 10 DBGE C[C@H]1C[C@@H](O)CN1c1ncc(Br)cc1B(O)O 2217197755 QJSMLXWQVXJVQU-POYBYMJQSA-N 300.949 -0.517 50 10 DBGE OB(O)c1cc(Br)cnc1NC[C@@H]1CC[C@@H]1O 2217201442 PMWRGPMFKXZULJ-RCOVLWMOSA-N 300.949 -0.293 50 10 DBGE C[C@H](CO)[C@H](C)Nc1ncc(Br)cc1B(O)O 2217203734 ZQHQCAPIBQABAB-RQJHMYQMSA-N 302.965 -0.047 50 10 DBGE C[C@@H]1C[C@@H](O)CCN1c1ncc(Br)cc1B(O)O 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O=S(=O)(NC[C@@H]1CCC1(F)F)c1ccc(B(O)O)s1 2267612115 YJRKRQLOEDSMPC-LURJTMIESA-N 311.140 -0.249 50 10 DBGE O=S(=O)(NC[C@@H]1CCO1)c1ccc(Cl)c(B(O)O)c1 2267626682 MFLPLMTZQNSLHU-ZETCQYMHSA-N 305.548 -0.913 50 10 DBGE O=S(=O)(Cc1ccsc1B(O)O)NCC1=CCCC1 2267718376 SJPUGWNWAPNDRA-UHFFFAOYSA-N 301.198 -0.042 50 10 DBGE O=C(NCC(F)(F)C(=O)O)c1cc(B(O)O)c(Cl)s1 2269042677 SXOOKKORGFMPON-UHFFFAOYSA-N 313.474 -0.469 50 10 DBGE CCCN(C[C@H](C)O)S(=O)(=O)c1cc(B(O)O)cs1 2272408466 OJJSWNMZXJTXMH-QMMMGPOBSA-N 307.202 -0.791 50 10 DBGE CCc1nc(C(=O)N(C)[C@H](C)C(C)(C)O)c(B(O)O)s1 2281629783 GYKKPQZTWKMBSA-SSDOTTSWSA-N 300.189 -0.383 50 10 DBGE Cn1nc(C(=O)N2CCCC[C@@H](F)C2)c(B(O)O)c1Cl 2281658205 KYUUJTZVZSYBRO-SSDOTTSWSA-N 303.530 -0.283 50 10 DBGE O=C(c1scc(B(O)O)c1Cl)N1C2COCC1COC2 2281790833 VWSWMKVSCSCDTL-UHFFFAOYSA-N 317.559 -0.679 50 10 DBGE Cn1ccnc1SCCNC(=O)c1sncc1B(O)O 2281908114 BVAGGQJITKKFBX-UHFFFAOYSA-N 312.185 -0.922 50 10 DBGE CCNC(=O)C(C)(C)NC(=O)c1cc(B(O)O)c(Cl)s1 2281921787 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319.575 -0.523 50 10 DBGE O=S(=O)(NCCC1(O)CCCC1)c1cscc1B(O)O 2282362047 AHPMTVAIPBWEBA-UHFFFAOYSA-N 319.213 -0.599 50 10 DBGE COC[C@]1(C)CCN(S(=O)(=O)c2cscc2B(O)O)C1 2282370956 CWWKXMYQRAKGQS-LLVKDONJSA-N 319.213 -0.525 50 10 DBGE C[C@@H]1CN(S(=O)(=O)c2c(Cl)cccc2B(O)O)C[C@H]1F 2282378837 LOTMJVKBWNFMJA-GMSGAONNSA-N 321.566 -0.002 50 10 DBGE C[C@@H](CN(C)S(=O)(=O)c1cncc(B(O)O)c1)C(F)F 2282429002 MNNBRQUGWBNPAP-ZETCQYMHSA-N 308.115 -0.717 50 10 DBGE Cc1sc(C(=O)N2CC[C@@H](O)[C@H](F)C2)c(C)c1B(O)O 2282483338 WNUDPFLZDWOKOA-RKDXNWHRSA-N 301.148 -0.410 50 10 DBGE O=S(=O)(NC[C@@H]1C[C@@H]2C[C@@H]2CO1)c1sccc1B(O)O 2282701900 CBUQFAVAPGJXEZ-YIZRAAEISA-N 317.197 -0.869 50 10 DBGE CC1(C)C[C@@H](CNS(=O)(=O)c2cc(B(O)O)cs2)CO1 2282705354 WZTQXVKDBJLVMA-QMMMGPOBSA-N 319.213 -0.479 50 10 DBGE O=S(=O)(NCCC[C@H]1CCCN1)c1cc(B(O)O)cs1 2282705672 AVJITEAPGFXTNH-SNVBAGLBSA-N 318.229 -0.762 50 10 DBGE Cc1nc(CNS(=O)(=O)c2cc(B(O)O)cs2)oc1C 2282710305 MVLYPMASWUEQLG-UHFFFAOYSA-N 316.169 -0.489 50 10 DBGE C[C@H]1CCN(S(=O)(=O)c2cccc(B(O)O)c2)CCS1 2282713301 CMLNAVMRGHPNGE-JTQLQIEISA-N 315.225 -0.118 50 10 DBGE C[C@@]1(F)CCCN(S(=O)(=O)c2cccc(B(O)O)c2)C1 2282716828 ZTIYSGXKLFCHRL-GFCCVEGCSA-N 301.148 -0.121 50 10 DBGE C[C@H](CNS(=O)(=O)c1ccc(Cl)c(B(O)O)c1)N(C)C 2282723853 IEBDJBLJDHAAHT-MRVPVSSYSA-N 320.607 -0.752 50 10 DBGE CN[C@H](C)CCNS(=O)(=O)c1ccc(B(O)O)cc1Cl 2282725280 YYFPHRIIZDAHCS-MRVPVSSYSA-N 320.607 -0.704 50 10 DBGE Cc1cc(S(=O)(=O)N[C@@H]2CNCC2(C)C)sc1B(O)O 2282725294 ZGRPEJJYTNRNIT-MRVPVSSYSA-N 318.229 -0.987 50 10 DBGE C[C@@H](CCCNS(=O)(=O)c1cscc1B(O)O)C(=O)O 2284396524 WADZFQUCJUYQRU-ZETCQYMHSA-N 321.185 -0.793 50 10 DBGE CSCC[C@H](NC(=O)c1sc(C)cc1B(O)O)C(=O)O 2284439857 DLKPNKAMAGMCRT-QMMMGPOBSA-N 317.197 -0.328 50 10 DBGE CSc1ncc(CNC(=O)c2ccncc2B(O)O)s1 2284668056 VHDPWMJIXZPPCL-UHFFFAOYSA-N 309.181 -0.130 50 10 DBGE C[C@H](O)CN(C1CCC1)S(=O)(=O)c1sccc1B(O)O 2288022900 MRJDYTMUSFRXKD-QMMMGPOBSA-N 319.213 -0.648 50 10 DBGE CS(=O)(=O)C[C@H]1CCCN1c1cc(B(O)O)c(Cl)cn1 2294905371 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C=C[C@@H]1COCCN1S(=O)(=O)Cc1ccsc1B(O)O 2285409641 CRHGOMILKRHAOM-SNVBAGLBSA-N 317.197 -0.856 50 10 DBGE C[C@@H]1CCN(S(=O)(=O)Cc2ncsc2B(O)O)C1(C)C 2286907600 VBHZRUCBZQXNJH-MRVPVSSYSA-N 318.229 -0.227 50 10 DBGE CC1(CS(=O)(=O)N2CC[C@@H]3C(=O)OC(=O)[C@H]3C2)COC1 2287117702 AFBJGTIDSLTBDY-IUCAKERBSA-N 303.336 -0.626 50 10 DBGE CCc1nsc(CNC(=O)c2nc(C)sc2B(O)O)n1 2288841357 CGDUMPNXHJDVBD-UHFFFAOYSA-N 312.185 -0.525 50 10 DBGE CCS(=O)(=O)C[C@H](C)N(C)c1cc(B(O)O)c(Cl)cn1 2294904734 JBEOZJUVSFIVOZ-QMMMGPOBSA-N 320.607 -0.326 50 10 DBGE C[C@H]1CN(C=C(C#N)C(=O)NCCN2CCNCC2)C[C@H](C)O1 2325511715 PNKRENYJLHOZQN-KBPBESRZSA-N 321.425 -0.476 50 10 DBGE CN(NC(=O)[C@H](C(N)=S)c1ccccc1)S(C)(=O)=O 2339765859 COPAZRXHYLMLAI-VIFPVBQESA-N 301.393 -0.021 50 10 DBGE C[C@]1(B(O)O)CCN(S(=O)(=O)c2nccnc2Cl)C1 2342574504 ITSGOLQIKGFPIK-VIFPVBQESA-N 305.552 -0.243 50 10 DBGE C[C@@H]1CN(CC(=O)N[C@H]2CS(=O)(=O)C[C@H]2Cl)CC[C@H]1O 2354018854 RDSLDLPETHCSQB-CHWFTXMASA-N 324.830 -0.790 50 10 DBGE CS(=O)(=O)C[C@H]1CCCN1C[C@@H]1CC[C@H](C(=O)NN)O1 2356171656 OXHJTHFQCYDKGT-OUAUKWLOSA-N 305.400 -0.967 50 10 DBGE Cn1cnc(B(O)O)c1C(=O)Nc1cccc(C2OCCO2)c1 2362336538 FUWOHQLGZUZUFT-UHFFFAOYSA-N 317.110 -0.602 50 10 DBGE C[C@@H]1CC[C@H]([C@H](N)C(=O)NN(C)S(=O)(=O)C2CCC2)O1 2365268035 ONGLBRKOGWYTAP-IEBDPFPHSA-N 305.400 -0.274 50 10 DBGE CCS(=O)(=O)N(C)NC(=O)N1C[C@H](C)[C@@H](CC(=O)O)C1 2365325332 CWKSIWDTARGOEI-IUCAKERBSA-N 307.372 -0.065 50 10 DBGE CN(C)c1ccc(C=NNC(=O)Cc2n[nH]c(=O)[nH]c2=O)cc1 12338705 BGVKWUWMVCLWGM-UHFFFAOYSA-N 316.321 -0.783 50 10 DBGE biogenic C[C@H](N)CSCC(=O)N[C@H]1CS(=O)(=O)C[C@H]1Cl 250979262 IEUMVWPUAOCWKG-RNJXMRFFSA-N 300.833 -0.413 50 10 DBGE COC(=O)[C@H](Br)CN1C[C@H]2C[C@H]1CS2(=O)=O 321243016 USAROOWIEPQZEH-XLPZGREQSA-N 312.185 -0.206 50 10 DBGE COC(=O)N(C)NC(=O)[C@@H]1CN(C(=O)C(C)(C)C)CCO1 376016674 MWIAOKSFJPHEDB-VIFPVBQESA-N 301.343 -0.011 50 10 DBGE C[C@H](Cl)c1nc(=N)[nH]c(=NCCN2CCCS2(=O)=O)[nH]1 405443379 QZCYAJSGWPPAEZ-ZETCQYMHSA-N 320.806 -0.547 50 10 DBGE O=C(NNC(=O)c1cnn[nH]1)c1cccc(N2CCOC2=O)c1 491207132 MVRMZRUXUGQSIO-UHFFFAOYSA-N 316.277 -0.164 50 10 DBGE CNC(=O)c1cncc(/C=C\C(=O)NNC(=O)C(C)(C)O)c1 493828022 UMGDIRAUYMYYKE-PLNGDYQASA-N 306.322 -0.627 50 10 DBGE O=C(CNC(=O)OCc1ccccc1)NNC(=O)c1nc[nH]n1 497169015 BNWWLDKKHLEGKJ-UHFFFAOYSA-N 318.293 -0.508 50 10 DBGE CC[C@@H](C(=O)OCC(C)C)[S@@](=O)CC(=O)NNC(C)=O 586364465 KZXZPINENZLBOG-FVINQWEUSA-N 306.384 -0.120 50 10 DBGE CN(CCCS(C)(=O)=O)Cc1ccc(F)cc1B(O)O 694188009 DUTBPYJDODGKOX-UHFFFAOYSA-N 303.164 -0.628 50 10 DBGE C[C@]1(CO)CCCN1CC(=O)N[C@H]1CS(=O)(=O)C[C@@H]1Cl 723038635 PRNAAHJLZHJCGG-JBLDHEPKSA-N 324.830 -0.646 50 10 DBGE CN1CCC[C@@H](CNC(=O)NNC(=O)[C@H]2COCCO2)C1 745810880 PTBNJGMQNCXXNV-WDEREUQCSA-N 300.359 -0.926 50 10 DBGE Cn1c(O)ncc(C(=O)NNC(=O)Cc2ccsc2)c1=O 751581901 BVVMRLWYASFLNI-UHFFFAOYSA-N 308.319 -0.449 50 10 DBGE CO[C@@H]1CC[C@H]2OCCN(CC(=O)NNC(=O)C3CC3)[C@@H]2C1 755053136 FMDAYYLIFTWBIA-JHJVBQTASA-N 311.382 -0.188 50 10 DBGE CN1CCCC[C@@H]1C(=O)NNC(=O)[C@H]1CCc2nncn2C1 816873987 RXEXREGOGDWKQR-WDEREUQCSA-N 306.370 -0.528 50 10 DBGE CN(C)c1cccc(C(=O)NNC(=O)[C@@]2(C)C[C@H](O)CN2C)c1 828637277 WWEPSUVLDLWMEG-XJKSGUPXSA-N 320.393 -0.031 50 10 DBGE C[C@H]1OCC[C@@H]1C(=O)NNS(=O)(=O)c1c[nH]c(C(=O)O)c1 842592526 MMCSUBQPBZGVSD-SVRRBLITSA-N 317.323 -0.553 50 10 DBGE Cn1cc(C(=O)NNC(=O)NCCO[C@H]2CC2(F)F)cn1 852529652 JFIVURUTLXYNFS-QMMMGPOBSA-N 303.269 -0.212 50 10 DBGE CCC(=O)N1CC[C@H](NC(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)C1 858300475 NWXJVKWUPADZOC-DCAQKATOSA-N 312.370 -0.105 50 10 DBGE CC(C)CN(C)CCCNC(=O)NNC(=O)[C@H]1CCC(=O)N1 858580800 WYFRYWSFRLUZPY-LLVKDONJSA-N 313.402 -0.427 50 10 DBGE COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)c1ccc(B(O)O)cc1 863879949 IRAYTAKEIRLWMG-BNOWGMLFSA-N 317.150 -0.220 50 10 DBGE CSSCCNC(=O)NC[C@@]1(CO)COCCN1C 922390646 VQENAQSDUFIXIL-LLVKDONJSA-N 309.457 -0.010 50 10 DBGE O=C(CNC(=O)c1ccco1)NNC(=O)Cc1cscn1 1125626405 KJTSIFOQVPFQBZ-UHFFFAOYSA-N 308.319 -0.144 50 10 DBGE O=C(NNC(=O)[C@H]1CC(c2cccnc2)=NO1)c1cccnn1 1132945976 IUHJSVGUVKEVSA-GFCCVEGCSA-N 312.289 -0.174 50 10 DBGE CCCCNC(=O)NNC(=O)C[C@]1(C)CCS(=O)(=O)N1 1142314749 SMOHKRSUFYNKET-NSHDSACASA-N 306.388 -0.411 50 10 DBGE CS(=O)(=O)CC(=O)NNC(=O)c1ccc2cnccc2n1 1149626452 JCTAOLMVPCPQHG-UHFFFAOYSA-N 308.319 -0.565 50 10 DBGE Cc1cnc2c(C(=O)NNc3nnc(C)c(O)n3)cnn2c1 1160458815 PPQHMBAYHMKFPS-UHFFFAOYSA-N 300.282 -0.006 50 10 DBGE CCOc1ccc(NC(=O)C(=O)NNC(=O)CCO)nc1C 1261601343 LPCAWVWPZAJYKS-UHFFFAOYSA-N 310.310 -0.743 50 10 DBGE Cc1cccc(NCCNC(=O)NNC(=O)[C@H]2CCC(=O)N2)n1 1313334363 KPRZSZGARFIPFY-SNVBAGLBSA-N 320.353 -0.589 50 10 DBGE Cn1cc(C(=O)NNC(=O)NCCO[C@H]2CCOC2)ccc1=O 1313337249 FEPJOCTVKDFOLF-NSHDSACASA-N 324.337 -0.865 50 10 DBGE Cn1cc(C(=O)NNC(=O)NCCCN2CCOC2=O)cn1 1328685601 LXPZTBRZRJIGGO-UHFFFAOYSA-N 310.314 -0.794 50 10 DBGE O=C(NNc1ncc(F)cn1)c1ccnc(N2CCOCC2)n1 1329009801 WBAKJPBMFVHILF-UHFFFAOYSA-N 319.300 -0.001 50 10 DBGE Cn1cccc(C(=O)NNC(=O)CNC(=O)c2ccco2)c1=O 1338619654 YRKMFFZLKASGQJ-UHFFFAOYSA-N 318.289 -0.831 50 10 DBGE O=C(CSc1cccc[n+]1[O-])NNC(=O)Cc1cc[nH]n1 1443723023 BXFKOVNBCJYQBB-UHFFFAOYSA-N 307.335 -0.475 50 10 DBGE O=C(Cc1ccccc1F)NNC(=O)c1cccc(B(O)O)c1 1443793978 XHMCTYGMQWVUDD-UHFFFAOYSA-N 316.097 -0.491 50 10 DBGE O=C(CCCNC(=O)c1cccnc1)NNC(=O)c1cn[nH]c1 1461838350 VTBALANJELDBOR-UHFFFAOYSA-N 316.321 -0.224 50 10 DBGE O=C1C[C@](C(=O)NNC(=O)c2cn[nH]c2)(c2ccccc2)CN1 1534090235 VTQGGJAZOKYAGB-OAHLLOKOSA-N 313.317 -0.371 50 10 DBGE CN1CCO[C@@H](C(=O)NNc2nc(-c3ccncc3)no2)C1=O 1544965691 CKTFLNOHDWYYEC-VIFPVBQESA-N 318.293 -0.568 50 10 DBGE O=C(Cc1nc[nH]n1)NNC(=O)[C@H]1COc2ccccc2O1 1628293476 AOMWMXZIQORSAU-SNVBAGLBSA-N 303.278 -0.665 50 10 DBGE COc1cc(C)nc(NNC(=O)CCCS(N)(=O)=O)n1 1630733716 JDWWRUUVYPQUJX-UHFFFAOYSA-N 303.344 -0.695 50 10 DBGE COCCO[C@H](C)C(=O)NNC(=O)NCCCc1nc[nH]n1 1683688014 RYUFQWDKUBTOFQ-SECBINFHSA-N 314.346 -0.881 50 10 DBGE NC(=O)N[C@H]1CCCN(S(=O)(=O)CCOCCCl)C1 1877128568 CTFJXHQIQBRQAL-VIFPVBQESA-N 313.807 -0.296 50 10 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NNC(=O)c1ncc(CN2C[C@H]3CS(=O)(=O)C[C@@H]3C2)s1 2144159532 ORIYWJOHDKMRIW-YUMQZZPRSA-N 316.408 -0.777 50 10 DBGE Cn1cc(S(=O)(=O)N2CCC(F)(F)[C@H](N=C=O)C2)nn1 2144430067 SWKWNOLTVVXOTA-SSDOTTSWSA-N 307.282 -0.451 50 10 DBGE C[C@@H](CCC(=O)NN)N1CC[C@H](N2CCCS2(=O)=O)C1 2146934582 CXDKQKVXTXWBKT-QWRGUYRKSA-N 304.416 -0.745 50 10 DBGE C[C@H]1[C@@H](C)N(c2ncc(Cl)cc2B(O)O)CCS1(=O)=O 2172800447 SXQSOYJJGQNIOG-SFYZADRCSA-N 318.591 -0.573 50 10 DBGE NNC(=O)c1sncc1Cn1cnc2scnc2c1=O 2173339922 NXEVYCWLWZKBPS-UHFFFAOYSA-N 308.348 -0.039 50 10 DBGE CN(Cc1csc(C(=O)NN)n1)C[C@@]1(C)COCCO1 2174271420 IOLWLFQLUCAFRP-LBPRGKRZSA-N 300.384 -0.016 50 10 DBGE C[C@H]1[C@@H](C)N(C[C@@H]2CC[C@H](C(=O)NN)C2)CCS1(=O)=O 2181779034 LJLMORLDGKEPSK-KXNHARMFSA-N 303.428 -0.100 50 10 DBGE O=C(N[C@@H]1CS(=O)(=O)C[C@H]1Cl)c1ccn2nncc2c1 2186125103 PXUPCLPKJSROEP-NXEZZACHSA-N 314.754 -0.137 50 10 DBGE COC1(CN(C)CC(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2Cl)CC1 2195888988 MUQZENXGSZQVGM-VHSXEESVSA-N 324.830 -0.382 50 10 DBGE O=S(=O)(c1cccc(CCl)c1)N1C[C@H](O)[C@@H](O)[C@H]1CO 2201005707 MPVYWJSRGXRKQS-WOPDTQHZSA-N 321.782 -0.488 50 10 DBGE O=S1(=O)CCC[C@@H]1COCc1cc(F)ccc1B(O)O 2206324535 YDKNKEKOEKUZIX-LLVKDONJSA-N 302.132 -0.401 50 10 DBGE CNC(=O)CCNc1ncc(Br)cc1B(O)O 2217201911 GFFDIFPLQTXNSW-UHFFFAOYSA-N 301.937 -0.928 50 10 DBGE OB(O)c1cc(Br)cnc1N1CCCOCC1 2217203057 OZCPQJILZSSPLV-UHFFFAOYSA-N 300.949 -0.249 50 10 DBGE COC(=O)[C@H](Br)CN1CCN2C(=O)COC[C@H]2C1 2221290751 ZYXAMURDDRWHRB-RKDXNWHRSA-N 321.171 -0.534 50 10 DBGE OB(O)c1cc(Br)cnc1O[C@@H]1CNCC12CC2 2223648069 GUAJKHVXFXYFHB-SECBINFHSA-N 312.960 -0.345 50 10 DBGE C[C@H]1C[C@@H]1CS(=O)(=O)Nc1nc(B(O)O)ccc1Cl 2232369736 UYEDKXIFTBRIGO-NKWVEPMBSA-N 304.564 -0.188 50 10 DBGE CS(=O)(=O)N(Cc1nscc1B(O)O)c1ccccc1 2235503728 UJXMLASUSSDQQW-UHFFFAOYSA-N 312.181 -0.211 50 10 DBGE CO[C@@H]1CC[C@H]1CS(=O)(=O)NCc1ccc(B(O)O)s1 2239423304 QWPGAXHLRXLYJR-WCBMZHEXSA-N 319.213 -0.728 50 10 DBGE COC(C)(C)CS(=O)(=O)Nc1nc(B(O)O)ccc1Cl 2241206573 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50 10 DBGE CCCC[C@H](NC(N)=O)C(=O)NNC(=O)Cc1ccccn1 729397237 SGBCMOPXVCQYPR-NSHDSACASA-N 307.354 -0.001 50 10 DBGE C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)NNC(=O)[C@H]1COCCO1 757746155 QBJXEEOYIALPFS-ADEWGFFLSA-N 312.370 -0.785 50 10 DBGE O=C(NNC(=O)[C@@H]1CCN(CC(F)(F)F)C1)c1cnn[nH]1 792144422 VABSLOSUSHAPNM-ZCFIWIBFSA-N 306.248 -0.550 50 10 DBGE COC(=O)c1c(F)cccc1NNC(=O)CN1CC(=O)NC1=O 819710304 FSGWVGGHYRJRJF-UHFFFAOYSA-N 324.268 -0.393 50 10 DBGE CC(C)CC(=O)NNC(=O)[C@H](C)N1CCO[C@@H]([C@H](C)O)C1 839669983 DPPUZHZVXWBQQP-SDDRHHMPSA-N 301.387 -0.350 50 10 DBGE COCCOCCNC(=O)NNC(=O)[C@@H]1C[C@H]2CC[C@H]1O2 844891530 QSSUMMHVCBUYOR-GMTAPVOTSA-N 301.343 -0.453 50 10 DBGE C[C@H]1CCN(CC(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)C1 848101997 NEWRQKKDXLUDNX-NWDGAFQWSA-N 303.428 -0.180 50 10 DBGE CCC(=O)NNC(=O)[C@H](C)N1CCO[C@@H](CCCN(C)C)C1 852760182 BOFWSMUKPDCUAH-STQMWFEESA-N 314.430 -0.025 50 10 DBGE O=C(CNC(=O)c1ccco1)NNC(=O)c1ccc(O)cn1 1136537995 GQOUDXXESVXVCH-UHFFFAOYSA-N 304.262 -0.429 50 10 DBGE O=C(NNc1ccncn1)[C@H](O)[C@H](O)c1nc2ccccc2[nH]1 1141130997 LOMNUKRIJFFEFO-NWDGAFQWSA-N 314.305 -0.110 50 10 DBGE O=C(COc1ccccc1O)NNC(=O)CN1CCOC1=O 1144656396 CRGDBAIECGWZBL-UHFFFAOYSA-N 309.278 -0.629 50 10 DBGE N#Cc1cccc(C(=O)NNC(=O)CN2CC[C@@H](O)[C@@H](F)C2)c1 1198553152 LNPMTZZANWUDOQ-QWHCGFSZSA-N 320.324 -0.276 50 10 DBGE N#Cc1cccnc1NCCNC(=O)c1cccc(B(O)O)c1 1292158096 ZZBXSZXYERIAJA-UHFFFAOYSA-N 310.122 -0.525 50 10 DBGE CCC(=O)NNC(=O)[C@H](C)N1CCC(c2nnc(N)o2)CC1 1307891997 DULWTXOZWIKCMO-QMMMGPOBSA-N 310.358 -0.223 50 10 DBGE O=C(Cc1ccccn1)NNS(=O)(=O)c1cnc2n1CCC2 1320689403 AZMLVLAMPJKNKI-UHFFFAOYSA-N 321.362 -0.224 50 10 DBGE Cc1cncc(CCNC(=O)NNC(=O)C(=O)N2CCCC2)n1 1333867370 QZRTYFXSAGHQBK-UHFFFAOYSA-N 320.353 -0.720 50 10 DBGE O=C(NNC(=O)C1CCC1)N[C@@H]1CCN(C2CCOCC2)C1=O 1336655082 PDBOQRJUCDVDFJ-GFCCVEGCSA-N 324.381 -0.103 50 10 DBGE Cc1csc(C(=O)NNC(=O)Cn2ccc(=O)n(C)c2=O)c1 1438038119 ZTDWZZBJOZKQHP-UHFFFAOYSA-N 322.346 -0.622 50 10 DBGE COCCCNC(=O)NNC(=O)C[C@@H]1CCCS1(=O)=O 1442303748 RLIKCLBMGJFUFN-VIFPVBQESA-N 307.372 -0.679 50 10 DBGE CS(=O)(=O)c1cccc(NNC(=O)CCc2nn[nH]n2)c1 1446985995 HDRXZYNKMDTFLE-UHFFFAOYSA-N 310.339 -0.321 50 10 DBGE Cc1oc(S(C)(=O)=O)cc1C(=O)NNC(=O)c1cn[nH]c1 1461835552 ADNOEOYWLOBAEY-UHFFFAOYSA-N 312.307 -0.211 50 10 DBGE Cn1cc(C(=O)NNC(=O)[C@]2(C#N)CCCOC2)ccc1=O 1463155230 CITDYBUZTXMQAB-AWEZNQCLSA-N 304.306 -0.533 50 10 DBGE CCCNC(=O)NNC(=O)[C@@H]1C[C@H](O)CN1c1ccncn1 1464543234 LZAPPSDQDYPDFS-UWVGGRQHSA-N 308.342 -0.843 50 10 DBGE CO[C@@]1(C(=O)NNC(=O)CC(C)(C)C)CCS(=O)(=O)C1 1472503860 GRJJKMFKUGQUEE-LBPRGKRZSA-N 306.384 -0.226 50 10 DBGE C[C@@H]1CN2CCN1C[C@H]2C(=O)NNC(=O)[C@@H]1C[C@H]2CC[C@H]1O2 1528517778 NFRWJNDNQOZEMG-NJMOYASZSA-N 308.382 -0.910 50 10 DBGE O=C(NNC(=O)[C@@H]1COCCO1)c1ccc2cnccc2n1 1531606116 KOTDOWSFPHFTRS-LBPRGKRZSA-N 302.290 -0.194 50 10 DBGE CC(C)(C)NC(=S)NNC(=O)[C@@H]1CCc2nnc(O)n2C1 1539361159 PSAYFSZPNGDAHN-SSDOTTSWSA-N 312.399 -0.160 50 10 DBGE Cn1ncc(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)c1Cl 1540554566 GMPYOWPPZZPNNK-LURJTMIESA-N 320.758 -0.731 50 10 DBGE CN(C)C(=O)NNC(=O)[C@H]1OCC[C@H]1NC(=O)OC(C)(C)C 1542414891 FRLRFSYSZOEJDX-BDAKNGLRSA-N 316.358 -0.029 50 10 DBGE CN1C(=O)CN(C(=O)c2cccc(B(O)O)c2)Cc2ccccc21 1557535942 XJRRRFNTHDMDGH-UHFFFAOYSA-N 324.145 -0.015 50 10 DBGE Cn1cc(C(=O)NNC(=O)NCC[C@@H]2C[C@H]3CC[C@H]2O3)nn1 1564901115 DMVCXIRXMOEHMQ-FXPVBKGRSA-N 308.342 -0.283 50 10 DBGE CN(NC(=O)[C@H]1OCC(=O)N(C)[C@@H]1c1cccnc1)C(N)=O 1623316519 SJLIQOSYFBQFEX-MNOVXSKESA-N 307.310 -0.978 50 10 DBGE COCCOCCN(C)CCC(=O)NNC(=O)c1ccc[nH]1 1623336844 HECSKDQJLBNXHI-UHFFFAOYSA-N 312.370 -0.239 50 10 DBGE CC(C)(NC(=O)C(F)(F)F)C(=O)NNC(=O)c1ncon1 1627099882 NGRBEFFQKYBSBD-UHFFFAOYSA-N 309.204 -0.712 50 10 DBGE O=C(NNC(=O)c1ccnn1CC(F)(F)F)c1cnn[nH]1 1627298320 JVUZJFYJRWTGRX-UHFFFAOYSA-N 303.204 -0.362 50 10 DBGE CS(=O)(=O)CC(=O)NNC(=O)c1nnc2ccccc2c1O 1630867255 ZRLPFRYDOMFRMH-UHFFFAOYSA-N 324.318 -0.859 50 10 DBGE CN(NC(=O)C[C@]1(O)CCN(C(=O)OC(C)(C)C)C1)C(N)=O 1630878841 WAUVNKWEHCIUFK-CYBMUJFWSA-N 316.358 -0.210 50 10 DBGE CS(=O)(=O)c1ccc(NNC(=O)Cn2cnc(N)n2)cc1 1631044088 UGPDAOPIPJSPJV-UHFFFAOYSA-N 310.339 -0.593 50 10 DBGE CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)NNC(=O)c1cccnn1 1633336597 JWTKWWNAQHTOHB-BDAKNGLRSA-N 306.326 -0.665 50 10 DBGE COC(=O)[C@H]1CCCN(CC(=O)NNC(=O)C2CCC2)C1=O 1633416842 XNKKBBBALLCRKE-JTQLQIEISA-N 311.338 -0.655 50 10 DBGE C[C@@H]1C[C@H](NC(=O)NNc2ccc(-n3cccn3)nn2)C(=O)O1 1638100614 HDIVCLJPJHEMTO-BDAKNGLRSA-N 317.309 -0.008 50 10 DBGE Cc1nc(O)nc(O)c1CC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 1638954929 CFDCPVSZKWYGOI-HTQZYQBOSA-N 310.310 -0.689 50 10 DBGE Cc1cc(CC(=O)NNC(=O)[C@@H]2CCCC23OCCO3)n[nH]1 1643654977 FTKUADUNRILGKQ-NSHDSACASA-N 308.338 -0.049 50 10 DBGE CON1CCC(NC(=O)NNC(=O)[C@H]2CCCCO2)CC1 1682110497 QEEYBFPLMHEXFI-LLVKDONJSA-N 300.359 -0.088 50 10 DBGE O=C(NCc1nc2ncccn2n1)NNC(=O)c1ncccn1 1683421621 UKCXTDBGIKOVHG-UHFFFAOYSA-N 313.281 -0.942 50 10 DBGE O=C(NC[C@@H]1CCN1C1CCOCC1)NNC(=O)c1ncon1 1685482915 GJJIKMOKDIKGKV-JTQLQIEISA-N 324.341 -0.733 50 10 DBGE O=S(=O)(CI)N1C[C@@H](CO)[C@@H](F)C1 1881831547 AWCVAVYVQKFXIB-WDSKDSINSA-N 323.127 -0.029 50 10 DBGE COC(=O)[C@@H](Br)CN(C)C1CS(=O)(=O)C1 1932010284 VZVFMRVVSWPDLE-ZETCQYMHSA-N 300.174 -0.348 50 10 DBGE NNC(=O)C(=O)N1C[C@@H]2OCCN(Cc3ccccc3)[C@@H]2C1 1933327975 LAJLZUNFCOCKFH-OLZOCXBDSA-N 304.350 -0.912 50 10 DBGE O=C(NC[C@H]1COC[C@@H]1Br)C1CS(=O)(=O)C1 1939173026 QGJWOVIWXQNRBO-XPUUQOCRSA-N 312.185 -0.443 50 10 DBGE CN(C)[C@H]1CN(C(=O)Cn2cnnc2)C[C@@H]1Br 1942633674 ZDBOFFXFAWPBET-IUCAKERBSA-N 302.176 -0.186 50 10 DBGE COCC[C@H](CBr)NS(=O)(=O)c1nc[nH]n1 1984364615 MUTAGOXYIPVTFC-ZCFIWIBFSA-N 313.177 -0.117 50 10 DBGE COc1c(C#N)ccc(B(O)O)c1I 2060246362 QEBTUNJTANUFNH-UHFFFAOYSA-N 302.864 -0.149 50 10 DBGE CN(CCn1cc(C(=O)NN)nn1)C[C@@H]1C[C@@H]1Br 2076260301 VJDTZQBUMZEQRQ-YUMQZZPRSA-N 317.191 -0.403 50 10 DBGE CC1(C)CC(S(=O)(=O)NCc2ncc(B(O)O)s2)C1 2097544938 FATBKFKSKGFKHS-UHFFFAOYSA-N 304.202 -0.569 50 10 DBGE Cc1ccc(S(=O)(=O)NCc2cc(B(O)O)cs2)o1 2097818674 QXXTZWJVNGLTMD-UHFFFAOYSA-N 301.154 -0.192 50 10 DBGE Cc1cc(B(O)O)sc1CNS(=O)(=O)C1[C@@H](C)[C@@H]1C 2100794232 HMJFCPLTDSTLBF-YUMQZZPRSA-N 303.214 -0.190 50 10 DBGE Cc1cc(B(O)O)sc1CNC(=O)[C@@H]1CSC(=O)N1 2100796986 DTEIBFPCDBQRFK-LURJTMIESA-N 300.170 -0.822 50 10 DBGE CO[C@H]1CN(S(=O)(=O)N2CC(C#N)C2)CC[C@H]1N=C=O 2164606389 MDWCLYSRCWKZLY-MNOVXSKESA-N 300.340 -0.888 50 10 DBGE Cn1cc(S(=O)(=O)N2CCO[C@@H](CCO)C2)c(CCl)n1 2179991357 HSSOTIJTHFTCJR-VIFPVBQESA-N 323.802 -0.069 50 10 DBGE CC1(C)[C@@H](O)C[C@@]1(CO)Nc1nc(CCCl)nc(=N)[nH]1 2193986578 MRYXWYOCNCIOFT-MADCSZMMSA-N 301.778 -0.001 50 10 DBGE Cc1ccc(NC(=O)N[C@H](C)S(C)(=O)=O)c(B(O)O)c1 2203124928 RMWBWFZKOSLPSF-QMMMGPOBSA-N 300.145 -0.813 50 10 DBGE Cn1cnc(CNc2ncc(Br)cc2B(O)O)n1 2223669279 IBYHFAPHQQKAFO-UHFFFAOYSA-N 311.936 -0.736 50 10 DBGE O=C(CS[C@@H]1CCNC1)N[C@@H]1CS(=O)(=O)C[C@@H]1Cl 2223741757 CAFASVPZEFASDO-HRDYMLBCSA-N 312.844 -0.398 50 10 DBGE CS(=O)(=O)C[C@@H]1CCN(Cc2cc(B(O)O)cs2)C1 2227145434 FDXJIMXXOLQEDU-SECBINFHSA-N 303.214 -0.706 50 10 DBGE COCCn1nnnc1SCc1cc(B(O)O)cs1 2227149549 UOEIUELCWMPDMR-UHFFFAOYSA-N 300.174 -0.647 50 10 DBGE Cc1sc(CNS(=O)(=O)[C@H]2C[C@@H]2C)c(B(O)O)c1C 2229399316 XDZZHJSXTPTZQW-WKEGUHRASA-N 303.214 -0.127 50 10 DBGE C#CC1(O)CCN(c2ncc(Br)cc2B(O)O)CC1 2231673391 AUTXFTNDWVDYSA-UHFFFAOYSA-N 324.971 -0.512 50 10 DBGE CCCS(=O)(=O)C[C@@H](C)Nc1nccc(B(O)O)c1F 2240316041 CLYSWCIOXYSYML-MRVPVSSYSA-N 304.152 -0.474 50 10 DBGE CC(C)(C)OC(=O)N1CC=CCN1C(=O)c1cc(B(O)O)c[nH]1 2243356365 GUFSGGTUOJROKH-UHFFFAOYSA-N 321.142 -0.141 50 10 DBGE O=C(N[C@@H]1CCCCC12OCCO2)c1ncsc1B(O)O 2255480905 ZDRLTRASKCDFSY-MRVPVSSYSA-N 312.156 -0.762 50 10 DBGE C[C@@H](CNC(=O)c1scc(B(O)O)c1Cl)[S@](C)=O 2255527712 QBFMZYXWPJFLLY-DOFRZMOGSA-N 309.605 -0.422 50 10 DBGE Cc1nsc(B(O)O)c1C(=O)N[C@H]1CCCC12OCCO2 2255685014 UFSRKPQPGARMMD-QMMMGPOBSA-N 312.156 -0.843 50 10 DBGE C[C@H](CNC(=O)c1cscc1B(O)O)CC1(C)OCCO1 2255739344 IUBPOQQVCKIJQB-VIFPVBQESA-N 313.184 -0.053 50 10 DBGE O=C(c1ccc(Cl)cc1B(O)O)N1CCC2(C1)OCCO2 2255740639 DQFPGCCZEFHHHB-UHFFFAOYSA-N 311.530 -0.391 50 10 DBGE C[C@H](CNC(=O)c1ccc(Cl)cc1B(O)O)[S@@](C)=O 2266930347 DFMUUCCBUHUKST-QOLSBQFWSA-N 303.576 -0.483 50 10 DBGE CCSC[C@H](C)NS(=O)(=O)c1cccc(B(O)O)c1 2267226854 WYWRSPJSKLIXQW-VIFPVBQESA-N 303.214 -0.214 50 10 DBGE C#C[C@H](NS(=O)(=O)Cc1ccsc1B(O)O)C(C)C 2267374389 QTRFASSKJYUIFA-JTQLQIEISA-N 301.198 -0.495 50 10 DBGE CN[C@@H](C)CCNS(=O)(=O)c1cc(B(O)O)sc1C 2267390343 BZQFWHGUWIRBGF-ZETCQYMHSA-N 306.218 -0.987 50 10 DBGE O=C(c1cc(B(O)O)cs1)N1CCSC[C@H]1CCO 2267402157 VVVBDGJSDCQOGY-SECBINFHSA-N 301.198 -0.632 50 10 DBGE O=S(=O)(c1sccc1B(O)O)N1CCC[C@H]2CC[C@H]21 2267611040 NMFPVOUUPNNBMP-WCBMZHEXSA-N 301.198 -0.009 50 10 DBGE COC[C@]1(C)CCN1S(=O)(=O)c1sccc1B(O)O 2267620275 GTUWWNBZFUVWFW-JTQLQIEISA-N 305.186 -0.773 50 10 DBGE C[C@@H](N(C)S(=O)(=O)c1cscc1B(O)O)C(F)(F)F 2267622030 MGKVVARRXLKHMM-RXMQYKEDSA-N 317.119 -0.001 50 10 DBGE C[S@@](=O)(CCN)=NC(=O)c1cccc(Cl)c1B(O)O 2267934450 ZFOFJNQCBNXXTL-LJQANCHMSA-N 304.564 -0.784 50 10 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CCC(CC)[C@H](O)CNS(=O)(=O)c1cc(B(O)O)cs1 2282065601 NKUJRSCQUNMEIR-SNVBAGLBSA-N 321.229 -0.497 50 10 DBGE C[C@@H]1O[C@H](C)[C@@H](NS(=O)(=O)c2ccc(B(O)O)s2)[C@@H]1C 2282072066 ZNOBLXZSTDCSKP-UVMAFCGOSA-N 319.213 -0.482 50 10 DBGE NCCC1CCN(S(=O)(=O)c2cc(B(O)O)cs2)CC1 2282075341 RYCGJIKBWIOMRQ-UHFFFAOYSA-N 318.229 -0.823 50 10 DBGE C[C@@H]1C(=O)N(S(=O)(=O)c2ccc(B(O)O)s2)[C@@H](C)[C@@H]1C 2282077401 VPHRVQBGDFAKBW-CSMHCCOUSA-N 317.197 -0.381 50 10 DBGE CCN(C[C@@H]1CCOC1)S(=O)(=O)c1sccc1B(O)O 2282083315 HVKWWQMVHCGVEJ-VIFPVBQESA-N 319.213 -0.525 50 10 DBGE CCCN(CCOC)S(=O)(=O)c1cccc(B(O)O)c1 2282094339 OULGIZWGRGSDHJ-UHFFFAOYSA-N 301.173 -0.587 50 10 DBGE C[C@@H](N(C)S(=O)(=O)c1cncc(B(O)O)c1)C(F)(F)F 2282101393 CURTUTISNRPCCR-ZCFIWIBFSA-N 312.078 -0.667 50 10 DBGE Cc1csc(C(=O)N=[S@](C)(=O)[C@H]2CCNC2)c1B(O)O 2282141961 LRPUFRUFQBXDDR-FFVOIRBGSA-N 316.213 -0.664 50 10 DBGE Cn1nc(C(=O)NCCc2nccs2)c(B(O)O)c1Cl 2282257204 OQMGUDJIYNQAAE-UHFFFAOYSA-N 314.563 -0.818 50 10 DBGE 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315.181 -0.915 50 10 DBGE O=C(N[C@@H]1[C@H]2CCCC(F)(F)[C@H]21)c1sncc1B(O)O 2282456341 GOIICILHBHBKAM-UIISKDMLSA-N 302.111 -0.014 50 10 DBGE CCc1nc(C(=O)N(C)CC(C)(C)CO)c(B(O)O)s1 2282461744 CHMSSRDUBQGLBR-UHFFFAOYSA-N 300.189 -0.524 50 10 DBGE C[C@H]1CC[C@@H](CO)N(S(=O)(=O)c2sccc2B(O)O)C1 2282507800 MIMGCZIDYQIRRX-IUCAKERBSA-N 319.213 -0.791 50 10 DBGE C[C@@H](NS(=O)(=O)c1ccc(B(O)O)s1)c1cn(C)cn1 2282702618 LGKWCDMEHGYRFB-SSDOTTSWSA-N 315.185 -0.799 50 10 DBGE Cc1oncc1CCNS(=O)(=O)c1cc(B(O)O)cs1 2282702784 NREFZDUCGAKFEU-UHFFFAOYSA-N 316.169 -0.755 50 10 DBGE C[C@@H](O)[C@@H]1CCCCN1S(=O)(=O)c1cc(B(O)O)cs1 2282703636 YYOSFQIWGCLUHD-SCZZXKLOSA-N 319.213 -0.648 50 10 DBGE CCC(O)(CC)CN(C)S(=O)(=O)c1ccc(B(O)O)s1 2282706225 JIQQNJVYQLBNGL-UHFFFAOYSA-N 321.229 -0.401 50 10 DBGE O=S(=O)(N[C@@H]1CC2(CCC2)[C@H]1O)c1cc(B(O)O)cs1 2282715577 IMTXDAQJGOOEIU-SCZZXKLOSA-N 317.197 -0.990 50 10 DBGE CC(C)C(F)(F)CNS(=O)(=O)c1cccc(B(O)O)c1 2282718755 BTYWCTTWYJHKAF-UHFFFAOYSA-N 307.127 -0.064 50 10 DBGE CC[C@@H](NS(=O)(=O)c1ccc(F)cc1B(O)O)C(F)F 2282721550 SULGANJCAPCGRL-MRVPVSSYSA-N 311.090 -0.173 50 10 DBGE CC(C)[C@H](O)CNS(=O)(=O)c1ccc(Cl)c(B(O)O)c1 2282723302 CWLYSLHDZZTVKY-LLVKDONJSA-N 321.591 -0.685 50 10 DBGE C[C@H]1C[C@@]1(C)CNS(=O)(=O)c1ccc(F)c(B(O)O)c1 2282735566 CKJHVSSLIHNGPI-UFBFGSQYSA-N 301.148 -0.170 50 10 DBGE C[C@@H]1C[C@]1(C)CN(C)S(=O)(=O)Cc1ncsc1B(O)O 2282852651 RXMHJAIYGLYGCQ-LDYMZIIASA-N 318.229 -0.369 50 10 DBGE CCOC[C@@H](C)NS(=O)(=O)Cc1cccc(B(O)O)c1 2282853771 IWBMWCJPHKAWOR-SNVBAGLBSA-N 301.173 -0.789 50 10 DBGE CS[C@@H](C)[C@H](NC(=O)c1cc(B(O)O)oc1C)C(=O)O 2284366457 HAZNBXYDIOTFEH-RCOVLWMOSA-N 301.129 -0.798 50 10 DBGE CC[C@H](NS(=O)(=O)c1c(Cl)cccc1B(O)O)C(=O)O 2284405519 LTFGTXPHWAQICJ-QMMMGPOBSA-N 321.547 -0.839 50 10 DBGE O=C(O)C[C@@H]1CCCN1S(=O)(=O)c1ccc(B(O)O)s1 2284408496 AAYPKHMTPNQAFG-ZETCQYMHSA-N 319.169 -0.944 50 10 DBGE Cc1cc(S(=O)(=O)N[C@@H](C)[C@@H](C)C(=O)O)sc1B(O)O 2284412167 AIVREFPMBVEOJG-RQJHMYQMSA-N 321.185 -0.876 50 10 DBGE CC(C)SC[C@@H](NC(=O)c1ccsc1B(O)O)C(=O)O 2284452647 IWEYOBBZCQWOSA-MRVPVSSYSA-N 317.197 -0.248 50 10 DBGE C#CC1(NS(=O)(=O)c2c(Cl)cccc2B(O)O)CCC1 2288218693 UXXXFNCXWJZXHL-UHFFFAOYSA-N 313.571 -0.146 50 10 DBGE O=C([C@H]1C[C@H]1Br)N1CCNC(=O)[C@]12CCCNC2 2311272966 PICGBRWDOLMLEJ-YGOYTEALSA-N 316.199 -0.150 50 10 DBGE OB(O)c1cc(Br)cnc1N1C[C@@H]2C[C@@H](O)[C@H]1C2 2312614287 GMHSDZOIHJDHAT-WQGWLQIFSA-N 312.960 -0.517 50 10 DBGE N#Cc1cc(B(O)O)ccc1N1CCC[C@H](C2OCCO2)C1 2339302994 RPEIEJWUOJJIRM-NSHDSACASA-N 302.139 -0.173 50 10 DBGE CCS(=O)(=O)N(C)NC(=O)N1CC[C@H]2[C@@H](C1)[C@@H]2C(=O)O 2365287794 FCXRUXDLTUICNF-DJLDLDEBSA-N 305.356 -0.455 50 10 DBGE Cn1cccc1C(=O)NNC(=O)CNC(=O)c1ccccn1 172497026 FITPFKPGVHPOFJ-UHFFFAOYSA-N 301.306 -0.389 50 10 DBGE O=C(NNC(=O)[C@@H]1CC[C@H](C(F)(F)F)NC1=O)[C@H]1CCCO1 293890368 LCZBCJIVIRUEHC-BWZBUEFSSA-N 323.271 -0.230 50 10 DBGE C[C@H](CO)[C@@H](C)NCC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 295646925 CQZPDNJTLPSCHK-NXEZZACHSA-N 324.337 -0.038 50 10 DBGE COC(=O)[C@@H](I)CNCc1cnn(C)n1 309142996 UGANOMXTXLVPSX-ZETCQYMHSA-N 324.122 -0.119 50 10 DBGE O=S1(=O)CCC(COc2ccc(B(O)O)c(F)c2)CC1 694119404 ROJJMKCHDWJVSM-UHFFFAOYSA-N 302.132 -0.291 50 10 DBGE Nc1nc(CCl)nc(NCC2(S(N)(=O)=O)CCC2)n1 721498036 AHEJKLMABMSWAC-UHFFFAOYSA-N 306.779 -0.184 50 10 DBGE COC(=O)c1cc2scc([C@@H](O)C(=O)O)c2cc1B(O)O 725322673 AITHDIKYUHRYCV-SNVBAGLBSA-N 310.092 -0.514 50 10 DBGE COCCOc1cccc(C(=O)NNC(=O)c2cnn[nH]2)c1 729457611 RULZBRLRVAWKJW-UHFFFAOYSA-N 305.294 -0.095 50 10 DBGE COCCS(=O)(=O)NNC(=O)[C@H]1Cc2ccccc2O1 737757580 SYZFWBXNTAHSPN-LLVKDONJSA-N 300.336 -0.413 50 10 DBGE COc1ccccc1S(=O)(=O)NNC(=O)[C@@H]1COCCO1 745978014 AHXOSJJOJDLXML-JTQLQIEISA-N 316.335 -0.580 50 10 DBGE CNC(=O)Cn1cc(NC(=O)NNC(=O)c2cccn2C)cn1 757864996 DNFAJQWKVVNHEC-UHFFFAOYSA-N 319.325 -0.566 50 10 DBGE Cc1cccc(C(=O)NNC(=O)CN2CC[C@@H](NC(N)=O)C2)c1 762925826 OCBFTVWALDHUGO-GFCCVEGCSA-N 319.365 -0.501 50 10 DBGE CCN(OC)C(=O)CNC(=O)NNC(=O)[C@@H]1CCCCO1 827584613 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50 10 DBGE O=C(NCC1(Cl)CCOCC1)c1sccc1B(O)O 2353104455 JETGKAVPXROYOZ-UHFFFAOYSA-N 303.576 -0.054 50 10 DBGE COC(=O)CCCCCNC(=O)c1cnsc1B(O)O 2362502324 CNJKECWGCAGMEE-UHFFFAOYSA-N 300.145 -0.714 50 10 DBGE CN(CC(=O)NNC(=O)c1ccoc1)c1ncnc2nc[nH]c12 142779719 SZVDFEJJYSUTQF-UHFFFAOYSA-N 315.293 -0.157 50 10 DBGE O=C([C@H]1CCCN1S(=O)(=O)CCCl)N1CCOCC1 232296555 VXKRRCPLWOSPRK-SNVBAGLBSA-N 310.803 -0.122 50 10 DBGE C[C@H](O)CN1CCN(CC(=O)NNC(=O)C2CCC2)C[C@@H]1C 247482122 FTQORMDFHZTMJF-RYUDHWBXSA-N 312.414 -0.679 50 10 DBGE COc1ccccc1CCNC(=O)NNC(=O)[C@H]1COCCO1 266715020 RLBYMLJKKMGJSS-CYBMUJFWSA-N 323.349 -0.017 50 10 DBGE O=C(NNC(=O)[C@@H]1COCCO1)c1cccc(-c2ncn[nH]2)c1 270963512 ANYSULYFSGWFNB-NSHDSACASA-N 317.305 -0.352 50 10 DBGE CNC(=O)NNS(=O)(=O)c1c(C)oc(C)c1C(=O)OC 299154459 NVTOQIRACFFCIN-UHFFFAOYSA-N 305.312 -0.195 50 10 DBGE Cn1nnc(C(=O)N2CCN(CCBr)CC2)n1 697192719 QOFGYOCPFUNMQZ-UHFFFAOYSA-N 303.164 -0.637 50 10 DBGE CCOC(=O)c1cc([C@H](O)C(=O)O)c2scc(B(O)O)c2c1 725323382 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-0.497 50 10 DBGE O=C(c1scc(B(O)O)c1Cl)N1CCC(CO)CC1 2266974919 XQCYPQKJHJDIBY-UHFFFAOYSA-N 303.576 -0.074 50 10 DBGE O=C(c1scc(B(O)O)c1Cl)N1C[C@@H]2CCO[C@@H]2C1 2266976601 SGYPXFDFDHKYRT-POYBYMJQSA-N 301.560 -0.058 50 10 DBGE C[C@@H]1NCCC[C@H]1NC(=O)c1scc(B(O)O)c1Cl 2266981084 AHWZBQDUYZXJPS-POYBYMJQSA-N 302.592 -0.048 50 10 DBGE O=C(N[C@@H]1CCNC[C@H]1F)c1scc(B(O)O)c1Cl 2266989662 HVIDYGGTRSXQRG-RNFRBKRXSA-N 306.555 -0.489 50 10 DBGE Cc1sc(C(=O)NC[C@@H](C)[S@](C)=O)c(C)c1B(O)O 2267041965 OKZIDQVUKLOJBD-YIVBRQOJSA-N 303.214 -0.458 50 10 DBGE O=S(=O)(NC[C@@H]1[C@H]2CCC[C@H]21)c1ccc(B(O)O)s1 2267207161 ASWIMTXKSYSCLD-BRPSZJMVSA-N 301.198 -0.248 50 10 DBGE CC[C@]1(C)CC(=O)N1S(=O)(=O)c1ccc(B(O)O)s1 2267207972 VMTABPNYUHVCAT-SNVBAGLBSA-N 303.170 -0.482 50 10 DBGE CO[C@@]1(C)CCN(S(=O)(=O)c2ccc(B(O)O)s2)C1 2267210471 HZORRFNYGZDTFZ-JTQLQIEISA-N 305.186 -0.773 50 10 DBGE C[C@@H](CNS(=O)(=O)c1cscc1B(O)O)C(C)(F)F 2267382152 GRAPNAPFXIYDQW-LURJTMIESA-N 313.156 -0.003 50 10 DBGE 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QGLAXSKKJNOLLD-UHFFFAOYSA-N 313.531 -0.493 50 10 DBGE CC(C)(NC(=O)c1cc(B(O)O)c(Cl)s1)c1nn[nH]n1 2281924792 VATNCKYSDTWSSJ-UHFFFAOYSA-N 315.551 -0.741 50 10 DBGE CN1CCC(CNS(=O)(=O)c2ccc(B(O)O)s2)CC1 2282071254 OZJMISJDMKNIKR-UHFFFAOYSA-N 318.229 -0.952 50 10 DBGE CN(Cc1ccncn1)S(=O)(=O)c1sccc1B(O)O 2282076166 DLEOUDZCCBOZDT-UHFFFAOYSA-N 313.169 -0.961 50 10 DBGE C[C@H](NS(=O)(=O)c1cccc(B(O)O)c1)c1cscn1 2282093557 DWLQEOKEJXJFPG-QMMMGPOBSA-N 312.181 -0.138 50 10 DBGE CS[C@H]1CNC[C@@H]1NC(=O)c1cc(Cl)cc(B(O)O)c1 2282155045 PZUDGMPVNROJRD-QWRGUYRKSA-N 314.603 -0.547 50 10 DBGE CN(C(=O)c1cscc1B(O)O)[C@@H](CCO)C(F)(F)F 2282235463 UGAGOEJLTCKIKP-QMMMGPOBSA-N 311.090 -0.187 50 10 DBGE CCn1cc(C(=O)NC[C@]2(Cl)CC2(F)F)nc1B(O)O 2282236995 MCDSRWYKGYWWPM-SECBINFHSA-N 307.493 -0.671 50 10 DBGE O=C(NC[C@@H]1CC[C@@H]2[C@H]1C2(F)F)c1nscc1B(O)O 2282308389 QPYFJTZOYBOXMR-BBVRLYRLSA-N 302.111 -0.156 50 10 DBGE CN(C)CCCCNS(=O)(=O)Cc1ccsc1B(O)O 2282345321 OPEKSOQFHSOBNG-UHFFFAOYSA-N 320.245 -0.811 50 10 DBGE Cc1sc(B(O)O)cc1S(=O)(=O)N(C)c1cnn(C)c1 2282362570 HRUFOLOSESBFMN-UHFFFAOYSA-N 315.185 -0.705 50 10 DBGE Cc1cc(S(=O)(=O)N[C@H]2C[C@@]23CCOC3)sc1B(O)O 2282362851 KDFQUOPBYFDATO-GZMMTYOYSA-N 317.197 -0.806 50 10 DBGE CCN(C1COC1)S(=O)(=O)c1c(C)sc(C)c1B(O)O 2282366925 VNXCVHRNRHJBMI-UHFFFAOYSA-N 319.213 -0.546 50 10 DBGE C[C@@H](O)[C@H]1CCCCN1S(=O)(=O)c1cscc1B(O)O 2282372577 YYVNMTCVFOAXCY-PSASIEDQSA-N 319.213 -0.648 50 10 DBGE C[C@@H](CNS(=O)(=O)c1cscc1B(O)O)[C@H]1CCCO1 2282375583 RJPFRDMENQPBGY-WCBMZHEXSA-N 319.213 -0.479 50 10 DBGE CO[C@@H](C)CCNS(=O)(=O)c1ccc(B(O)O)cc1F 2282378230 CESXECRAIHINLC-QMMMGPOBSA-N 305.136 -0.791 50 10 DBGE CCc1nc(=NC(=O)c2cc(B(O)O)c(Cl)s2)n(C)[nH]1 2282386690 SEROCCPBABHFQI-UHFFFAOYSA-N 314.563 -0.554 50 10 DBGE C=C(CS(=O)(=O)NC1CCC(C(C)(C)O)CC1)B(O)O 2282410316 VUADGZUDHRZNSL-UHFFFAOYSA-N 305.205 -0.196 50 10 DBGE Cc1c(B(O)O)csc1C(=O)N1C[C@@H](N)[C@@H](C(F)F)C1 2282425325 OEQINIZVAORYPF-POYBYMJQSA-N 304.127 -0.599 50 10 DBGE Cc1cc(B(O)O)c(F)c(C(=O)N[C@H](C)C[S@](C)=O)c1 2282451762 UAPPMRPBDZYQTO-SQFXPLBJSA-N 301.148 -0.689 50 10 DBGE Cc1nsc(B(O)O)c1C(=O)N1C[C@@H]2[C@H](C(F)F)[C@@H]2C1 2282459065 QYCMKDAWLMODPW-UQWHLADISA-N 302.111 -0.286 50 10 DBGE Cc1c(B(O)O)csc1C(=O)NC[C@H](O)CC(F)(F)F 2282470072 QJMJUOXZJCANJE-ZCFIWIBFSA-N 311.090 -0.221 50 10 DBGE C#CCN(C1CSC1)S(=O)(=O)c1cccc(B(O)O)c1 2282714636 VBFZRINXJWDNEG-UHFFFAOYSA-N 311.193 -0.894 50 10 DBGE O=S(=O)(c1ccc(B(O)O)cc1)N1CCCC(F)(F)C1 2282717824 OJWRIACETGGGHV-UHFFFAOYSA-N 305.111 -0.214 50 10 DBGE CC1(C)CC(=O)N1S(=O)(=O)c1c(Cl)cccc1B(O)O 2282721758 WRBISAYDADMRBX-UHFFFAOYSA-N 317.559 -0.281 50 10 DBGE CC[C@]1(C)CC(=O)N1S(=O)(=O)c1cc(B(O)O)sc1C 2282722767 LJHJLJNQIPYGHA-LLVKDONJSA-N 317.197 -0.174 50 10 DBGE C[C@@H]1CC(=O)N(S(=O)(=O)c2ccc(B(O)O)cc2Cl)C1 2282723709 HCDPGAOKZAPZAR-SSDOTTSWSA-N 317.559 -0.423 50 10 DBGE Cc1cc(B(O)O)ccc1S(=O)(=O)N1C[C@@H](C)[C@@H](F)C1 2282727857 METRBQHNWGONFO-KOLCDFICSA-N 301.148 -0.347 50 10 DBGE O=S(=O)(N[C@@]12COC[C@@H]1C2)c1c(Cl)cccc1B(O)O 2282729025 JLIJDPDOHLRELQ-CPCISQLKSA-N 317.559 -0.913 50 10 DBGE O=S(=O)(N[C@@H]1[C@H]2CCC(F)(F)[C@H]21)c1cscc1B(O)O 2282729772 ROYLQFQJPCBMMD-LQQYEPNUSA-N 323.151 -0.250 50 10 DBGE C[C@H]1CC[C@@H](NS(=O)(=O)c2ccc(F)c(B(O)O)c2)C1 2282743417 OWTWXLLZZBLJSN-DTWKUNHWSA-N 301.148 -0.028 50 10 DBGE C[C@H]1CN(C(=O)c2cc(F)c(B(O)O)cc2Cl)C[C@@H]1N 2282986019 LIDBKNJYXPTUDI-KGFZYKRKSA-N 300.526 -0.422 50 10 DBGE Cc1cc(C(=O)N[C@H](CC(F)F)C(=O)O)c(B(O)O)s1 2284366287 GBZQRHVBKUPIDZ-ZCFIWIBFSA-N 307.083 -0.425 50 10 DBGE O=C(O)[C@@H]1C[C@@H](F)CN1C(=O)c1cc(B(O)O)c(Cl)s1 2284392248 UPTHLLCMKMKANC-XINAWCOVSA-N 321.522 -0.282 50 10 DBGE C=C(CS(=O)(=O)N1CC[C@H](CC)C[C@H]1C(=O)O)B(O)O 2284395994 RSTKYKDULNYHEV-UWVGGRQHSA-N 305.161 -0.540 50 10 DBGE Cc1csc(C(=O)N[C@H](C(=O)O)C(F)(F)F)c1B(O)O 2284447557 NFWLVUQXOZHLFU-ZCFIWIBFSA-N 311.046 -0.518 50 10 DBGE O=C(NCC[C@H](F)C(=O)O)c1cccc(Cl)c1B(O)O 2284454005 LUTAMKDMUYOKCM-QMMMGPOBSA-N 303.482 -0.438 50 10 DBGE C[C@H](F)[C@@H](NC(=O)c1ccc(B(O)O)c(Cl)c1)C(=O)O 2284454865 QGUCEDXRCAHUAL-SSDLBLMSSA-N 303.482 -0.439 50 10 DBGE O=C(O)C[C@@H]1CSCCN1C(=O)c1cscc1B(O)O 2284460041 UFOMXGCKFWYTHY-SSDOTTSWSA-N 315.181 -0.540 50 10 DBGE C[C@@H]1COC[C@@H]1NC(=O)c1cc(B(O)O)c(F)cc1Cl 2285966293 PEZKEUWPJKQTBQ-KBUNVGBDSA-N 301.510 -0.076 50 10 DBGE CCS(=O)(=O)N(C)NC(=O)N1CCS[C@@H](C(=O)O)C1 2339735971 RKBDYMMBTWCJGZ-SSDOTTSWSA-N 311.385 -0.606 50 10 DBGE CC(C)S(=O)(=O)N(C)NC(=O)c1cnc(NN)c(F)c1 2365264386 HTCYRCWUTZRIBP-UHFFFAOYSA-N 305.335 -0.179 50 10 DBGE CN(NC(=O)N1[C@H](C(=O)O)CS[C@@H]1C1CC1)S(C)(=O)=O 2365283153 MKKHIWWKRDCLKC-JGVFFNPUSA-N 323.396 -0.260 50 10 DBGE CON(C1CCS(=O)(=O)CC1)[C@@H](C)CCCC(=O)NN 2366081901 VIJZLMVYRPDSIF-JTQLQIEISA-N 307.416 -0.024 50 10 DBGE CC(=O)NC(=S)NNC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 13630211 HVLJORFZBYGQQL-VIFPVBQESA-N 324.362 -0.330 50 10 DBGE Cn1cc(/C=N/NC(=O)CSc2nc(N)cc(N)n2)cn1 59266200 TUNMOIOKVMJEKK-LZWSPWQCSA-N 306.355 -0.383 50 10 DBGE C[C@@H]1CCCN(S(=O)(=O)N2CC[C@@H]3C(=O)OC(=O)[C@@H]3C2)C1 225671043 ZAUJJCJOIKZVRH-OUAUKWLOSA-N 316.379 -0.015 50 10 DBGE O=C(CSCc1ccncc1)NNC(=O)[C@@H]1COCCO1 266707303 QVPZYRQAJLUUFK-NSHDSACASA-N 311.363 -0.122 50 10 DBGE COC(=O)[C@@H](Br)CN1CCCNS1(=O)=O 308374350 RYUVQNRBJNDVEB-LURJTMIESA-N 301.162 -0.537 50 10 DBGE CS(=O)(=O)N1CC[C@H](CNS(=O)(=O)CCCl)C1 690668629 QRVFOJLNOAHCIC-MRVPVSSYSA-N 304.821 -0.574 50 10 DBGE CS(=O)(=O)NC1CCN(c2nc(N)nc(CCl)n2)CC1 702964635 RNPHWAYELFWUEC-UHFFFAOYSA-N 320.806 -0.289 50 10 DBGE O=C(COCc1ccccc1)NCc1ncc(B(O)O)s1 714602048 JEJHNCCJTDIVRH-UHFFFAOYSA-N 306.152 -0.344 50 10 DBGE COCC(COC)S(=O)(=O)NC[C@@H](Cl)CN(C)C 717330457 MYPFPTKCVVTPON-SECBINFHSA-N 302.824 -0.264 50 10 DBGE O=C(O)Cc1cc2cc(B(O)O)c([C@@H](O)C(=O)O)cc2s1 725322776 CHMWOXUXQFIPNJ-LLVKDONJSA-N 310.092 -0.674 50 10 DBGE O=C(NCc1cccc([N+](=O)[O-])c1)NNC(=O)[C@H]1COCCO1 745784036 LCVCHKKFIGRMMP-LLVKDONJSA-N 324.293 -0.159 50 10 DBGE O=C(NNC(=S)NC[C@H]1CCCCO1)[C@@H]1COCCO1 758254736 AAWSFIIGFWQZMY-ZJUUUORDSA-N 303.384 -0.534 50 10 DBGE Cn1c(O)ncc(C(=O)NNC(=O)NCc2ccccc2)c1=O 787583128 ZRAQHNPWPVAVMS-UHFFFAOYSA-N 317.305 -0.370 50 10 DBGE C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1cc2c(O)ncnc2cn1 843653570 CJWPBSPOCYXBFC-HTQZYQBOSA-N 317.305 -0.084 50 10 DBGE C[C@@]1(C(F)F)CN(C(=O)NNC(=O)[C@H]2COCCO2)CCO1 852163759 IDOPWUPMJWOLGK-PELKAZGASA-N 323.296 -0.501 50 10 DBGE O=C(CN1CCN(C2CC2)C1=O)NNC(=O)c1ccnnc1 854968909 QAZIFWLCUFGXQW-UHFFFAOYSA-N 304.310 -0.862 50 10 DBGE C[C@H](NNC(=O)/C=C\c1cn(C)c(=O)n(C)c1=O)C(F)(F)F 862306845 PVZUTDPJMDUNHL-MJSGSUOKSA-N 320.271 -0.331 50 10 DBGE C[C@H](NC(=S)NNC(=O)c1ccc2c(c1)B(O)OC2)C1CC1 863886616 GUOICRMYMOWOLO-QMMMGPOBSA-N 319.195 -0.188 50 10 DBGE CCOCCn1cc(C(=O)NNC(=O)c2cn(C)nn2)cn1 1118776940 QLEJDEVJYDLKJT-UHFFFAOYSA-N 307.314 -0.877 50 10 DBGE COC(=O)[C@H]1C[C@@H](C(=O)NNC(=O)CNC(=O)c2ccco2)C1 1125626638 PYTFTLQBPCFEBU-DTORHVGOSA-N 323.305 -0.644 50 10 DBGE NS(=O)(=O)c1ccc(CC(=O)NNc2ccncn2)s1 1141131411 WWCPFCGNHFYBEI-UHFFFAOYSA-N 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CC[C@H](CO)N(C)S(=O)(=O)c1ccc(B(O)O)cc1Cl 2282371581 LNGGJNPNCABGPN-SECBINFHSA-N 321.591 -0.589 50 10 DBGE Cc1cc(S(=O)(=O)N[C@@H](C)C2(CO)CC2)sc1B(O)O 2282374149 XHBUSUVOTIGCEK-QMMMGPOBSA-N 319.213 -0.824 50 10 DBGE CC1(C)[C@@H](NS(=O)(=O)c2cscc2B(O)O)C[C@H]1CN 2282375223 MGZUNBOATGCJOH-XVKPBYJWSA-N 318.229 -0.920 50 10 DBGE O=C(NC[C@]12CC[C@H]1CNC2)c1cc(B(O)O)c(Cl)s1 2282389410 DZCKHPREAIIOGW-JVXZTZIISA-N 314.603 -0.189 50 10 DBGE C[C@H](O)C[C@@H](C)CNS(=O)(=O)c1cccc(B(O)O)c1 2282428929 LHMBQCLJOJDFJW-ZJUUUORDSA-N 301.173 -0.948 50 10 DBGE O=C(c1cc(B(O)O)sn1)N(CCO)Cc1cccs1 2282440145 MUVUBCGXTIUADO-UHFFFAOYSA-N 312.181 -0.481 50 10 DBGE O=C(NC[C@H]1CC12CC(F)(F)C2)c1sncc1B(O)O 2282456386 HKJTUEQUWZRVAP-ZCFIWIBFSA-N 302.111 -0.012 50 10 DBGE Cc1c(B(O)O)csc1C(=O)N1CCS[C@H](CCO)C1 2282478079 YIONTQBCYWKEOX-SECBINFHSA-N 315.225 -0.324 50 10 DBGE C[C@@H](CNC(=O)c1scc(B(O)O)c1Cl)c1ncon1 2282478604 GKHPJVYBFJCZKD-YFKPBYRVSA-N 315.547 -0.002 50 10 DBGE C#CCCN(CCOC)S(=O)(=O)c1cc(B(O)O)cs1 2282702512 JOQIDWNEUVSMHS-UHFFFAOYSA-N 317.197 -0.912 50 10 DBGE CC[C@@H](NS(=O)(=O)c1ccc(B(O)O)cc1)C(C)(C)O 2282703072 RGHBLFMUAWIXMP-LLVKDONJSA-N 301.173 -0.806 50 10 DBGE CN(C[C@@]12COC[C@@H]1C2)S(=O)(=O)c1ccc(B(O)O)s1 2282709074 VBTQCOQRCUEGLI-KWQFWETISA-N 317.197 -0.915 50 10 DBGE CCC[C@@H]1COC[C@H]1NS(=O)(=O)c1cscc1B(O)O 2282734122 HLKJVZXQSMEVPK-PSASIEDQSA-N 319.213 -0.479 50 10 DBGE O=C(NN1CCOCC1)c1cc(F)c(B(O)O)cc1Cl 2282972976 WKYZMTTVUKCEGT-UHFFFAOYSA-N 302.498 -0.864 50 10 DBGE Cc1nc(=NC(=O)c2cc(F)c(B(O)O)cc2Cl)s[nH]1 2282976735 WCJJNDIOWQBMDY-UHFFFAOYSA-N 315.522 -0.007 50 10 DBGE C[C@H](NC(=O)c1cc(B(O)O)c(Cl)s1)[C@@H]1C[C@@H]1C(=O)O 2284387625 ROXJAFTUMAMDOT-ZLUOBGJFSA-N 317.559 -0.080 50 10 DBGE O=C(O)[C@@H]1[C@@H]2C[C@H]2CN1C(=O)c1scc(B(O)O)c1Cl 2284470014 RZHGCMXEPNKFIL-UUEMRFSQSA-N 315.543 -0.374 50 10 DBGE CS(=O)(=O)N1CCC(OCCC(F)(F)C(=O)NN)CC1 2285605701 VNIWTOCHGKLQKZ-UHFFFAOYSA-N 315.342 -0.558 50 10 DBGE CP(C)(=O)[C@@H]1CN(C(=O)c2ccc(B(O)O)s2)CCO1 2289243167 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20228158 SDGSIICSQDRQNT-UUILKARUSA-N 321.253 -0.554 50 10 DBGE NNC(=O)[C@@H]1CC[C@@H](CN2CCN(CC(F)(F)F)CC2)O1 110583342 HXTOEDZHVZXMJA-UWVGGRQHSA-N 310.320 -0.296 50 10 DBGE CN1CCN(c2cnn(C[C@H](Cl)C(=O)O)c(=O)c2)CC1 165546860 CAIFLEJXPAJLLD-JTQLQIEISA-N 300.746 -0.313 50 10 DBGE COC(=O)[C@H](Br)CN1C[C@H](O)C[C@@H]1CN(C)C 250353174 LGAWSUGJFGFWIE-OPRDCNLKSA-N 309.204 -0.080 50 10 DBGE O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)NNC(=O)[C@H]1CCCO1 293308512 IUBDIEGCSHMMQS-GMTAPVOTSA-N 323.349 -0.512 50 10 DBGE CC(C)C[C@H](C(=O)NN)N1CCSC[C@@H]1S(C)(=O)=O 695051618 YRXAZFUQLYPYKX-ZJUUUORDSA-N 309.457 -0.190 50 10 DBGE O=C(O)Cc1c([C@@H](O)C(=O)O)ccc2cc(B(O)O)sc12 725322915 GIOYJDSNQBDDFQ-SNVBAGLBSA-N 310.092 -0.674 50 10 DBGE COCCCN(C)CCNC(=O)NNC(=O)Cc1ccccn1 743591917 KPORBDJFLVFKDA-UHFFFAOYSA-N 323.397 -0.077 50 10 DBGE O=C1CC[C@@H](C(=O)NNC(=O)[C@H]2Cc3ccccc3O2)CN1 748271714 FQWAFOQZCFRQRY-ZYHUDNBSSA-N 303.318 -0.336 50 10 DBGE CCOC(=O)C[C@H](C)CNC(=O)NNC(=O)[C@H]1COCCO1 760325556 GRBCFTHNXCQNCF-VHSXEESVSA-N 317.342 -0.679 50 10 DBGE COCC(=O)NNC(=O)C(=O)Nc1cc(F)cc(F)c1F 815569029 DJPVOFBNEKLLRE-UHFFFAOYSA-N 305.212 -0.164 50 10 DBGE COC(=O)NCCNC(=O)NNC(=O)[C@@H]1C[C@H]2CC[C@H]1O2 845239336 AQNAGCMSAFCZCG-IWSPIJDZSA-N 300.315 -0.760 50 10 DBGE O=C(Cc1ccccc1O)NNC(=O)CN1CCCNC1=O 855757618 HOUDYFARCOYHTF-UHFFFAOYSA-N 306.322 -0.503 50 10 DBGE C[C@H]1CC[C@@H](C(=O)NNC(=O)N[C@H](C)CS(C)(=O)=O)O1 858285665 ONXBAUSBHIWPBO-VGMNWLOBSA-N 307.372 -0.683 50 10 DBGE Cc1cc(C)n(CC(=O)NNC(=O)N[C@H]2CC[C@H](C)NC2)n1 861685418 NREXQUQELHTXAR-CABZTGNLSA-N 308.386 -0.029 50 10 DBGE CNC(=S)N(C)NC(=O)c1cnc2c(c1)NC(=O)CN2C 861960933 QHWTUKAKAGILRC-UHFFFAOYSA-N 308.367 -0.449 50 10 DBGE Cc1cc([N+](=O)[O-])ccc1C(=O)NNC(=O)[C@H]1CCC(=O)N1 862452634 GEQIICUNPVMENR-SNVBAGLBSA-N 306.278 -0.057 50 10 DBGE O=C(C1CC1)[C@H]1CN(C(=O)c2ccc(B(O)O)cc2)CCO1 863882288 XHEWYJIJXXPEJT-CYBMUJFWSA-N 303.123 -0.814 50 10 DBGE CN1CCC[C@](O)(CC(=O)NNC(=O)[C@H]2C[C@H]3CC[C@H]2O3)C1 911877019 IYBZQNGYPXWXCC-ZAZJYDDPSA-N 311.382 -0.452 50 10 DBGE Cn1ncc(C(=O)NNC(=O)C2CCCC2)c1-n1cnnc1 1136086134 IEURIPFYKPNZDA-UHFFFAOYSA-N 303.326 -0.048 50 10 DBGE NC(=O)[C@@H](C1CC1)N(CC1CC1)C(=O)c1cccc(B(O)O)c1 1152173344 BPNGNRMWWIFBCP-CQSZACIVSA-N 316.166 -0.518 50 10 DBGE COc1cc(OC)nc(C(=O)NNC(=O)c2ccnnc2)n1 1162159954 HFACCXVCNVGXGN-UHFFFAOYSA-N 304.266 -0.641 50 10 DBGE COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)/C(C#N)=C\c1cnn(C)c1 1295716264 KMMXPJRAHQMGHL-GOUGKVJDSA-N 304.306 -0.538 50 10 DBGE C[C@]1(NNC(=O)N[C@@H]2CC[C@H](C(N)=O)C2)CCS(=O)(=O)C1 1312850562 OYWMQTDCPBVGGT-SBMIAAHKSA-N 318.399 -0.979 50 10 DBGE N#Cc1ccc(OCC(=O)NNC(=O)N[C@@H]2COC(=O)C2)cc1 1313190549 DGXNCMQMGKGBFD-JTQLQIEISA-N 318.289 -0.417 50 10 DBGE Cn1nccc1S(=O)(=O)NNC(=O)[C@@H]1C[C@H]2CC[C@H]1O2 1327233465 DUXUBZRUXZOERC-IWSPIJDZSA-N 300.340 -0.703 50 10 DBGE CCc1cnc(CNC(=O)NNC(=O)c2cn(C)nn2)s1 1327897605 UBNUDWVWIVTLSQ-UHFFFAOYSA-N 309.355 -0.022 50 10 DBGE C[C@H]1CC[C@@H](NC(=O)NNC(=O)C(=O)Nc2ccccn2)CN1 1328966686 YLNHWCARSLKACV-VHSXEESVSA-N 320.353 -0.509 50 10 DBGE O=C(NNC(=O)[C@@H]1C[C@H]2CC[C@H]1O2)C(=O)Nc1cncc(F)c1 1332611239 OODDVZKNHUPCMX-GMTAPVOTSA-N 322.296 -0.126 50 10 DBGE C[C@@H]1C[C@@H]2CC[C@H](C(=O)NNC(=O)[C@H]3CCC(=O)N3)CN2C1 1350111851 QQEQOHRXKPBJJK-NOOOWODRSA-N 308.382 -0.467 50 10 DBGE O=C(NNC(=O)[C@]1(C2CCCC2)CCNC1=O)c1ncon1 1463147862 DXGDSXBKLCPEOX-ZDUSSCGKSA-N 307.310 -0.473 50 10 DBGE O=C(NNC(=O)c1ccccc1F)c1ccc(B(O)O)cc1 1463581262 XHLQMGZDYBRKAL-UHFFFAOYSA-N 302.070 -0.420 50 10 DBGE Cn1cnc2ccc(C(=O)NNC(=O)[C@@H]3CCC(=O)N3)nc21 1557663795 FAFMRBXIFOSLMT-QMMMGPOBSA-N 302.294 -0.992 50 10 DBGE Cc1noc(CCC(=O)NNC(=O)c2ccc(=O)n(C)c2)n1 1585643475 OIIKQXQZPAEGPZ-UHFFFAOYSA-N 305.294 -0.529 50 10 DBGE CN1CC[C@H](C(=O)NNC(=O)c2ccc(=O)n(C)c2)CC1=O 1616316863 VATXBMMTURKHPH-VIFPVBQESA-N 306.322 -0.985 50 10 DBGE Cc1cc(C(F)(F)F)nc(C(=O)NNC(=O)c2cnn[nH]2)n1 1616398605 QBIBRCALWGCUQA-UHFFFAOYSA-N 315.215 -0.003 50 10 DBGE CCNC(=O)N(C)NC(=O)CN1CCC[C@@H](C(=O)OC)C1=O 1623761607 CQRHNKQUBTZZOF-SECBINFHSA-N 314.342 -0.910 50 10 DBGE CCOC(C)(OCC)C(=O)NNC(=O)c1cnn(CCO)c1 1627168721 BCAJIQDQHXILKY-UHFFFAOYSA-N 314.342 -0.574 50 10 DBGE CCCOc1ccnc(CC(=O)NNC(=O)[C@@H]2COCCO2)n1 1634838323 PUMISTKKIGDLDF-JTQLQIEISA-N 324.337 -0.629 50 10 DBGE C[C@@H](NC(=O)C1CCCCC1)C(=O)NNC(=O)c1ncon1 1636447333 GCRSQPYXRZOBDX-MRVPVSSYSA-N 309.326 -0.084 50 10 DBGE O=C(CO)NNC(=O)C1CCC(OC[C@H]2CCCO2)CC1 1641424570 UHWHYEOWGXULGM-HTAVTVPLSA-N 300.355 -0.120 50 10 DBGE CC[C@H]1CN(CC(=O)NNC(=O)C(C)C)C[C@H](C)S1(=O)=O 1645539255 NWROTXUGCQXJDJ-QWRGUYRKSA-N 319.427 -0.313 50 10 DBGE O=C(NC[C@H]1C[C@@H]2COC[C@@H]2O1)NNC(=O)c1cnsn1 1683990748 VFTQTDWFAMAJEV-BHNWBGBOSA-N 313.339 -0.714 50 10 DBGE C[C@@H](Br)C(=O)NC[C@]1(O)CCCS(=O)(=O)C1 1902529928 RWFDEGZWUBBHFZ-VXNVDRBHSA-N 314.201 -0.174 50 10 DBGE O=C1CO[C@H]2CCN(CCOCCBr)C[C@H]2N1 1908783177 KDYTUDYYFIEGJJ-ZJUUUORDSA-N 307.188 -0.013 50 10 DBGE CN([C@@H]1COC[C@@H]1Br)S(=O)(=O)C1COC1 1923225515 ZZXSGUUPVQVMQR-JGVFFNPUSA-N 300.174 -0.191 50 10 DBGE O=S1(=O)C[C@H]2CCN(S(=O)(=O)CBr)[C@H]2C1 1931361421 BIFJBJRCXJGIKF-RQJHMYQMSA-N 318.214 -0.213 50 10 DBGE C#CCN(CCBr)S(=O)(=O)CS(C)(=O)=O 1933461922 CLTRNLHDKCSXEP-UHFFFAOYSA-N 318.214 -0.352 50 10 DBGE CN1C[C@H](NS(=O)(=O)c2ncc[nH]2)[C@H](Br)C1 1937189928 KYWUEUDHSHZUJZ-RQJHMYQMSA-N 309.189 -0.235 50 10 DBGE O=C(N[C@]1(CBr)CCOC1)C1CS(=O)(=O)C1 1938941906 OQYUUDGTAFXKAD-VIFPVBQESA-N 312.185 -0.299 50 10 DBGE CS(=O)(=O)CS(=O)(=O)N[C@@H]1C[C@@H]1CBr 1955096211 NRRHZLPVSVCXEJ-PHDIDXHHSA-N 306.203 -0.309 50 10 DBGE C[C@@H]1CN(Cc2ccccc2)CCN1c1ncncc1B(O)O 1981414758 VTNZKABSPQGHNT-CYBMUJFWSA-N 312.182 -0.133 50 10 DBGE COC(=O)[C@H](Br)CN1CC[C@H]2OCCN[C@H]2C1 1999278628 LYJIBDKWWLTULT-KXUCPTDWSA-N 307.188 -0.014 50 10 DBGE COC(=O)[C@H](Br)CN1CC[C@]2(CNC(=O)N2)C1 2008429020 IENSHBZHLZEOCU-XCBNKYQSSA-N 306.160 -0.320 50 10 DBGE O=C1CO[C@@H]2CCN(C(=O)[C@@H]3C[C@@H]3Br)C[C@H]2N1 2020140347 ZZTGCYPIGXLFOY-BZNPZCIMSA-N 303.156 -0.114 50 10 DBGE CNS(=O)(=O)[C@H]1CCN(S(=O)(=O)C[C@H](C)CCl)C1 2051067444 XXYPHVIXJCOURC-BDAKNGLRSA-N 318.848 -0.185 50 10 DBGE C[C@H](O)CN(C[C@@H](C)O)S(=O)(=O)CCOCCCl 2072243159 OFVGQJMWNCWTLK-AOOOYVTPSA-N 303.808 -0.365 50 10 DBGE O=C(O)[C@H](CCCl)NS(=O)(=O)N1CCC[C@@H](O)C1 2083890608 JYJWOKCEMNZCJO-SFYZADRCSA-N 300.764 -0.640 50 10 DBGE C#CC[C@@](C)(CCl)CNS(=O)(=O)C1CS(=O)(=O)C1 2084841020 JJDCCFHAEPINPL-JTQLQIEISA-N 313.828 -0.029 50 10 DBGE O=C(Cc1nc(CCl)cs1)N[C@@H]1C[C@H](O)[C@H](O)[C@H]1O 2108828532 BGHYPUAZSGNBDQ-GUHGHRINSA-N 306.771 -0.604 50 10 DBGE C#CC1CCN(CC(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2Cl)CC1 2145484938 IAENRZLMJFMNFW-NWDGAFQWSA-N 318.826 -0.148 50 10 DBGE O=C=N[C@@H]1CCCCN1S(=O)(=O)N1CCS(=O)(=O)CC1 2163659294 BLDQTOCPSCNLJL-JTQLQIEISA-N 323.396 -0.891 50 10 DBGE O=C(CN1CCCC[C@H](O)C1)N[C@H]1CS(=O)(=O)C[C@@H]1Cl 2169247852 SDRFGHAUJIWRJW-DCAQKATOSA-N 324.830 -0.646 50 10 DBGE CN(C[C@]1(C)COCCO1)c1ncc(Cl)cc1B(O)O 2174268312 CPPCICXEADCJGB-GFCCVEGCSA-N 300.551 -0.344 50 10 DBGE CN(CCOCC(=O)NN)C1C[C@@H]2CC[C@H](C1)S2(=O)=O 2186406389 PCJSYCMGFPTUFG-FGWVZKOKSA-N 305.400 -0.967 50 10 DBGE C[C@H]1CN(CC(=O)N[C@H]2CS(=O)(=O)C[C@H]2Cl)C[C@H](C)O1 2195879076 HGWVBNJUAPPZBQ-MMWGEVLESA-N 324.830 -0.384 50 10 DBGE CC(C)(C)OC(=O)N1CC(CCN=c2ccc(B(O)O)c[nH]2)C1 2212603694 IRGDGFADHBLRNV-UHFFFAOYSA-N 321.186 -0.148 50 10 DBGE O=S1(=O)C[C@H]2CC[C@@H](C2)N1Cc1ccc(B(O)O)s1 2227157314 JIRBANPSPGTSPZ-IUCAKERBSA-N 301.198 -0.258 50 10 DBGE CSCCN1CCN(Cc2nscc2B(O)O)CC1 2227266789 ZIRSTWFHRHIZJE-UHFFFAOYSA-N 301.246 -0.697 50 10 DBGE Cc1cc(B(O)O)c(CNS(=O)(=O)c2cccnc2)s1 2237718728 IQVKTFVBMUWMBW-UHFFFAOYSA-N 312.181 -0.390 50 10 DBGE COCCOCCOCCNS(=O)(=O)N1CC(Cl)C1 2265390667 WWPVWZJYFSXPBZ-UHFFFAOYSA-N 316.807 -0.577 50 10 DBGE N#CC1CN(S(=O)(=O)N2CCC(CO)(CCl)CC2)C1 2265423747 NIVWHBSFZFPDOE-UHFFFAOYSA-N 307.803 0.000 50 10 DBGE O=S(=O)(c1cc(B(O)O)cs1)N(CC(F)F)C1CC1 2267200207 DAIWUGVEETYRBT-UHFFFAOYSA-N 311.140 -0.154 50 10 DBGE CN(Cc1cnsn1)S(=O)(=O)c1cc(B(O)O)cs1 2267201763 SSPRHAVLCKWVMP-UHFFFAOYSA-N 319.198 -0.900 50 10 DBGE O=S(=O)(Cc1ccsc1B(O)O)NC[C@H]1C[C@H](F)C1 2267378804 NUBSBOGHFOTCJL-XWEPSHTISA-N 307.177 -0.405 50 10 DBGE C[C@@H]1[C@@H](CNS(=O)(=O)c2cscc2B(O)O)C1(F)F 2267385961 PDKVTRIKZLJION-PHDIDXHHSA-N 311.140 -0.393 50 10 DBGE C[C@@H](NC(=O)c1cc(B(O)O)c(Cl)s1)c1nn[nH]n1 2267424697 DXGPDLOFBVTBST-GSVOUGTGSA-N 301.524 -0.915 50 10 DBGE COC(C)(C)[C@H](C)NS(=O)(=O)c1cc(B(O)O)cs1 2267608266 UXKOVLGOYKJDPM-ZETCQYMHSA-N 307.202 -0.480 50 10 DBGE CSCC1CC(NS(=O)(=O)c2cc(B(O)O)cs2)C1 2267609204 MRKRTKVURFOSKJ-UHFFFAOYSA-N 321.254 -0.152 50 10 DBGE O=C(N[C@]1(C(F)(F)F)CCOC1)c1ncsc1B(O)O 2281648877 LDNKHCCUUQEUHB-MRVPVSSYSA-N 310.062 -0.726 50 10 DBGE Cc1sc(C(=O)NC[C@H](C)S(C)(=O)=O)c(C)c1B(O)O 2281865447 UOMSMXMFVZCYHG-LURJTMIESA-N 319.213 -0.792 50 10 DBGE Cc1sc(B(O)O)c(C(=O)NC[C@](C)(O)C(F)F)c1C 2281882817 IUWWJNQBVVDNPJ-NSHDSACASA-N 307.127 -0.209 50 10 DBGE Cc1cc(C(=O)N=[S@@](C)(=O)CC2CNC2)c(B(O)O)s1 2281898204 GHYOUTKXRFXALJ-FQEVSTJZSA-N 316.213 -0.806 50 10 DBGE C[C@@H](NC(=O)c1cc(B(O)O)c(Cl)s1)c1ncnn1C 2281910723 ZQYUJRYQDWRXHI-RXMQYKEDSA-N 314.563 -0.299 50 10 DBGE CC(C)[C@H](N)CCN(C)S(=O)(=O)c1ccc(B(O)O)s1 2282076277 GDKRKIGLIWCKAU-SECBINFHSA-N 320.245 -0.578 50 10 DBGE O=S(=O)(N[C@H]1CCCC[C@@H]1CO)c1ccc(B(O)O)s1 2282078257 GFLVYMUDGMQJLQ-BDAKNGLRSA-N 319.213 -0.743 50 10 DBGE CC(C)(C)C[C@@H](O)CNS(=O)(=O)c1ccc(B(O)O)s1 2282084820 YFSJVKPPUGATSM-MRVPVSSYSA-N 321.229 -0.497 50 10 DBGE C[C@@H]1CCC[C@H](CN)N1S(=O)(=O)c1ccc(B(O)O)s1 2282087113 SOXWUGANENMIFP-RKDXNWHRSA-N 318.229 -0.682 50 10 DBGE C[C@H](O)C(C)(C)CNS(=O)(=O)c1cccc(B(O)O)c1 2282094311 OMIIAWZEHGPCCT-VIFPVBQESA-N 301.173 -0.948 50 10 DBGE CC(C)(CCO)CNS(=O)(=O)c1ccccc1B(O)O 2282101367 CPFMUZNLMSARKC-UHFFFAOYSA-N 301.173 -0.947 50 10 DBGE Cn1cnc(CCNC(=O)c2scc(B(O)O)c2Cl)n1 2282133869 JCJBRFKEROVKON-UHFFFAOYSA-N 314.563 -0.818 50 10 DBGE O=C(NC[C@@H]1C[C@H](CO)CO1)c1scc(B(O)O)c1Cl 2282145284 JPRLZXASEWSWQH-RQJHMYQMSA-N 319.575 -0.792 50 10 DBGE O=C(c1ccc(Cl)c(B(O)O)c1)N1CC[C@@](F)(CO)C1 2282304153 HCFJHBKKURINIV-LBPRGKRZSA-N 301.510 -0.434 50 10 DBGE C[C@@H]1C[S@@](=O)CCN1C(=O)c1ccc(B(O)O)c(Cl)c1 2282321035 QXFXSAYVZGZUEO-SQFXPLBJSA-N 315.587 -0.387 50 10 DBGE CC[C@@H](C)[C@@H](CO)NS(=O)(=O)c1cc(B(O)O)sc1C 2282359441 NYFMQFJOKMVWRV-VXNVDRBHSA-N 321.229 -0.578 50 10 DBGE COC(C)(C)CNS(=O)(=O)c1ccc(B(O)O)c(C)c1 2282362830 BMGNGVZHVWKUBG-UHFFFAOYSA-N 301.173 -0.622 50 10 DBGE Cc1ncc(CNS(=O)(=O)c2cc(B(O)O)sc2C)[nH]1 2282363197 MMWNGHTXLFXVAC-UHFFFAOYSA-N 315.185 -0.754 50 10 DBGE Cc1cc(S(=O)(=O)NC[C@H]2CCCS2)ccc1B(O)O 2282367966 JVDCYDHASNDQMS-SNVBAGLBSA-N 315.225 -0.151 50 10 DBGE Cc1cc(S(=O)(=O)N2C[C@@H](CN)C[C@@H]2C)sc1B(O)O 2282370666 YVAIBTXWCHPRPH-DTWKUNHWSA-N 318.229 -0.906 50 10 DBGE CC[C@H]1C[C@@H](NS(=O)(=O)c2cc(C)c(B(O)O)s2)CO1 2282376900 JZWDZYIHPJENRQ-BDAKNGLRSA-N 319.213 -0.418 50 10 DBGE C[C@H](NS(=O)(=O)Cc1ccc(B(O)O)cc1)C(F)(F)F 2282377996 ZGOHESAZHKNMHR-ZETCQYMHSA-N 311.090 -0.263 50 10 DBGE C=C(CS(=O)(=O)N1CCC[C@@]2(C)COCC[C@@H]12)B(O)O 2282378795 KYHYZOJGPSJATR-NEPJUHHUSA-N 303.189 -0.225 50 10 DBGE Cc1sc(C)c(S(=O)(=O)N2CCC[C@@H](N)C2)c1B(O)O 2282380869 OYDWFKHDXAYZHL-SECBINFHSA-N 318.229 -0.843 50 10 DBGE C=C(CS(=O)(=O)N1[C@H](CO)C[C@H]2CCCC[C@@H]21)B(O)O 2282380909 PKFGUPTZFWBOPP-WOPDTQHZSA-N 303.189 -0.490 50 10 DBGE O=S(=O)(Nc1cccnn1)c1ccc(Cl)c(B(O)O)c1 2282419353 ORVZQEKMKCLLIQ-UHFFFAOYSA-N 313.531 -0.389 50 10 DBGE Cc1sc(B(O)O)cc1S(=O)(=O)NCCc1cnoc1 2282421595 QBHXROYSTHLXNO-UHFFFAOYSA-N 316.169 -0.755 50 10 DBGE O=C(NC[C@@H]1CCC(F)(F)CO1)c1cc(B(O)O)sn1 2282431767 XXFMJYAVXPDWTO-LURJTMIESA-N 306.099 -0.633 50 10 DBGE O=C(c1scc(B(O)O)c1Cl)N1CC2(CC(CO)C2)C1 2282478780 JAJDAPHKNRXWLA-UHFFFAOYSA-N 315.587 -0.074 50 10 DBGE O=S(=O)(N[C@H]1CCCOC1)c1ccc(B(O)O)cc1Cl 2282724451 MYMLLRVEYCFFFY-VIFPVBQESA-N 319.575 -0.523 50 10 DBGE C#C[C@@H]1CCCN(S(=O)(=O)c2cc(C)c(B(O)O)s2)C1 2282726009 LANVVMJMYLWCKG-SNVBAGLBSA-N 313.209 -0.230 50 10 DBGE 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1470951862 ZVKZWGLDGCKCOD-UHFFFAOYSA-N 300.123 -0.258 50 10 DBGE CCC(=O)N[C@@H](C)C(=O)NNc1ccccc1S(N)(=O)=O 1472555497 YOTZYCNPRDQPML-QMMMGPOBSA-N 314.367 -0.308 50 10 DBGE Cn1cc(C(=O)NNC(=O)[C@@H]2COCCO2)c(C(F)(F)F)n1 1531605739 CJFGEUPRQIMTBB-ZETCQYMHSA-N 322.243 -0.385 50 10 DBGE CCO/C=C(\C#N)C(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 1543681682 KDLPMWJNMDQHLP-PBQZMEPESA-N 301.368 -0.029 50 10 DBGE CN(NC(=O)CNc1ccc(S(C)(=O)=O)cc1)C(N)=O 1545887345 BRWPCBQJORGCEZ-UHFFFAOYSA-N 300.340 -0.456 50 10 DBGE Cc1ccccc1CC(=O)NNC(=O)c1nnc(O)nc1O 1566283194 PVAKMBTWTPSHIA-UHFFFAOYSA-N 303.278 -0.405 50 10 DBGE Cn1cc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)c(C(F)F)n1 1587114841 RCYFRGAGCIWSHH-LURJTMIESA-N 301.253 -0.603 50 10 DBGE Cn1cc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)c(C(F)F)n1 1587114844 RCYFRGAGCIWSHH-ZCFIWIBFSA-N 301.253 -0.603 50 10 DBGE Cn1cc(/C=C(\C#N)C(=O)N2CC3(C[C@H](O)CNC3=O)C2)cn1 1595699931 RIFAZYPZARTPSV-HMCFADQJSA-N 315.333 -0.964 50 10 DBGE C/C(=C\c1ccco1)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 1610347095 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320.802 -0.132 50 10 DBGE O=C(NC[C@H]1OCC[C@H]1F)c1cc(B(O)O)ccc1Cl 2199703392 CBOSAFMCEMBGMY-GHMZBOCLSA-N 301.510 -0.123 50 10 DBGE CC[C@@H](Nc1ncc(Br)cc1B(O)O)C(N)=O 2217200145 IFYCFYIOIHOCQJ-SSDOTTSWSA-N 301.937 -0.800 50 10 DBGE OB(O)c1cc(Br)cnc1OCC1[C@@H]2CNC[C@@H]12 2223648671 OIRSFMUNPDAXAP-HTQZYQBOSA-N 312.960 -0.632 50 10 DBGE C[C@H]1CCN(c2ncc(Br)cc2B(O)O)C[C@H]1N 2223667418 RVIWZRLFZINDHT-OIBJUYFYSA-N 313.992 -0.303 50 10 DBGE CO[C@@H]1CN(C(=O)C2CS(=O)(=O)C2)[C@H](CCl)[C@H]1OC 2225076436 LJTYUWKFTJLXGC-OPRDCNLKSA-N 311.787 -0.489 50 10 DBGE CCN(C)S(=O)(=O)N(C)[C@@H](C)c1cc(B(O)O)cs1 2228220938 UOAMPXCSHSTECH-QMMMGPOBSA-N 306.218 -0.383 50 10 DBGE O=C(N[C@H](CB(O)O)C(=O)O)[C@@H]1C[C@@H]2CSC[C@@H](C2)C1 2236717802 OQOJVXQJLDATKI-UTINFBMNSA-N 301.173 -0.192 50 10 DBGE CC[C@@H](O)CN(Cc1ccccc1)C(=O)c1c[nH]nc1B(O)O 2243373803 VCGUOSNIKFGHTK-GFCCVEGCSA-N 317.154 -0.497 50 10 DBGE O=S(=O)(CCNS(=O)(=O)N1CC(Cl)C1)C1CC1 2251628422 RZXDVNZXYNSIOP-UHFFFAOYSA-N 302.805 -0.679 50 10 DBGE O=C(Cn1nc(O)ccc1=O)N[C@H]1C[C@H](Br)C1 2252751707 JELJSWUPBYFEJE-LJGSYFOKSA-N 302.128 -0.009 50 10 DBGE O=S(=O)(N1CC(Cl)C1)N1CCOC[C@H]1[C@H]1CCOC1 2265379073 DMCWJCOCKWBZSJ-ONGXEEELSA-N 310.803 -0.109 50 10 DBGE O=C1NC[C@@]2(CCCN(S(=O)(=O)N3CC(Cl)C3)C2)N1 2265393360 ZIQMMALZRRDGFY-SNVBAGLBSA-N 308.791 -0.698 50 10 DBGE C[C@H](CCNC(=O)c1nscc1B(O)O)P(C)(C)=O 2266855536 BECDCWKWCNIIPK-SSDOTTSWSA-N 304.117 -0.046 50 10 DBGE O=C(N[C@@H]1C[C@H]2OCC[C@H]12)c1scc(B(O)O)c1Cl 2266977607 YDCJCBRAXIKYKU-LPBLVHEISA-N 301.560 -0.012 50 10 DBGE CC(C)(CC(N)=O)NC(=O)c1cc(B(O)O)c(Cl)s1 2267075175 DIUCCGQEBLEYFN-UHFFFAOYSA-N 304.564 -0.535 50 10 DBGE CCOC(=O)CCNC(=O)c1cc(B(O)O)c(Cl)s1 2267076563 LPQUWTJTQIUCLB-UHFFFAOYSA-N 305.548 -0.236 50 10 DBGE O=C(c1cc(B(O)O)c(Cl)s1)N1C[C@H]2C[C@@]2(CO)C1 2267088158 UDVHSJVISSTKBU-KBUNVGBDSA-N 301.560 -0.464 50 10 DBGE CCS(=O)(=O)[C@@H]1CSCCN1C(=O)[C@@H]1C[C@H]1B(O)O 2267244038 DNXBGSDTHOUJSB-IWSPIJDZSA-N 307.202 -0.815 50 10 DBGE 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2282096847 XBZHRJDRPJDYIQ-UHFFFAOYSA-N 313.169 -0.419 50 10 DBGE O=S(=O)(N[C@@H](CF)C(F)(F)F)c1ccccc1B(O)O 2282098974 AQAMNINJEQPQNX-QMMMGPOBSA-N 315.053 -0.455 50 10 DBGE COC[C@](C)(CO)N(C)C(=O)c1sc(C)cc1B(O)O 2282146632 BRXTXAGHICHDQW-LBPRGKRZSA-N 301.173 -0.794 50 10 DBGE CC[C@H]1C[C@@H](NC(=O)c2nn(C)c(Cl)c2B(O)O)CO1 2282155801 AOKWDSMYPVGAHS-RQJHMYQMSA-N 301.539 -0.949 50 10 DBGE COC[C@]1(C)CCN1C(=O)c1nn(C)c(Cl)c1B(O)O 2282299156 WOSQZSLDZWQWCV-NSHDSACASA-N 301.539 -0.996 50 10 DBGE C[C@H]1CC[C@H]1N(C)S(=O)(=O)c1ccc(B(O)O)c(F)c1 2282359067 IRCFQYITSIBLMF-QPUJVOFHSA-N 301.148 -0.076 50 10 DBGE COC[C@@H]1C[C@H]1NS(=O)(=O)c1c(C)sc(C)c1B(O)O 2282360065 XFJVOCIFPOYZED-DTWKUNHWSA-N 319.213 -0.642 50 10 DBGE Cc1sc(B(O)O)cc1S(=O)(=O)N1C[C@@H]2CC[C@H]2C1=O 2282363141 LUMCOKCPGGKXMS-JGVFFNPUSA-N 315.181 -0.707 50 10 DBGE CO[C@]12CC[C@H]1CN(S(=O)(=O)c1cscc1B(O)O)C2 2282365796 FACBHNXDLXLTQI-KWQFWETISA-N 317.197 -0.773 50 10 DBGE CO[C@H](C)CN(C)S(=O)(=O)c1ccc(C)cc1B(O)O 2282372516 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-0.778 50 10 DBGE O=S(=O)(N[C@@H]1CC[C@@H]1CO)c1c(Cl)cccc1B(O)O 2282725077 VRFRVCMQURCZCE-GMSGAONNSA-N 319.575 -0.931 50 10 DBGE C=C(CS(=O)(=O)NC[C@H]1CC(C)(C)CC[C@@H]1O)B(O)O 2282730487 CHHPZFFKQFFIJZ-MNOVXSKESA-N 305.205 -0.339 50 10 DBGE C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1CNS(=O)(=O)c1cscc1B(O)O 2282731442 QKMFVKZEAFZOMM-XFWSIPNHSA-N 315.225 -0.002 50 10 DBGE C[C@H]1COC[C@@H]1NS(=O)(=O)c1c(Cl)cccc1B(O)O 2282733280 SUDMRSRRNCXWNL-XVKPBYJWSA-N 319.575 -0.667 50 10 DBGE Cc1ccc(B(O)O)cc1S(=O)(=O)N(C)CC1(F)CC1 2282737030 ADNHJQDMLFCNGI-UHFFFAOYSA-N 301.148 -0.203 50 10 DBGE O=S(=O)(NOCC1CCC1)c1ccc(F)cc1B(O)O 2282739510 KJUDXZLOTHBPIB-UHFFFAOYSA-N 303.120 -0.485 50 10 DBGE CCCC[C@@H](C)NS(=O)(=O)c1nc(C)n(C)c1B(O)O 2282850452 PEMUJOJDHZXCPZ-MRVPVSSYSA-N 303.193 -0.735 50 10 DBGE CC(C)[S@@](C)(=O)=NC(=O)c1cc(B(O)O)c(O)cc1O 2282970316 NETSDVISEUAWNR-HXUWFJFHSA-N 301.129 -0.576 50 10 DBGE NC[C@H](NC(=O)c1cccc(Cl)c1B(O)O)C(F)(F)F 2283113152 FWNNRKIKEXLVQX-ZETCQYMHSA-N 310.468 -0.361 50 10 DBGE C=C(CS(=O)(=O)NC1(CC(=O)O)CCCCC1)B(O)O 2284401405 ANWDGXSTUHRQQK-UHFFFAOYSA-N 305.161 -0.348 50 10 DBGE CC(C)[C@@H](CC(=O)O)NS(=O)(=O)c1ccc(B(O)O)s1 2284412343 BNBDEBZPZGWVSH-SSDOTTSWSA-N 321.185 -0.795 50 10 DBGE O=C(CN1C[C@H]2COC[C@H]1C2)N[C@@H]1CS(=O)(=O)C[C@@H]1Cl 2286950203 RTTPAASQBJRDRJ-ZRUFSTJUSA-N 322.814 -0.772 50 10 DBGE C#CC[C@H]1CCCN1S(=O)(=O)c1cc(B(O)O)sc1C 2287035784 UNGIZVBKRHWMJV-JTQLQIEISA-N 313.209 -0.087 50 10 DBGE Cc1c(B(O)O)csc1C(=O)NC(CF)(CF)C(=O)O 2295318562 BTGYEJXIROJTMG-UHFFFAOYSA-N 307.083 -0.771 50 10 DBGE CCOCCCNC=C(C#N)C(=O)N1CCN(CCN)CC1 2325512565 GWCPQJDFOIGIAT-UHFFFAOYSA-N 309.414 -0.487 50 10 DBGE O=S(=O)(NC[C@@H]1C[C@@H]2C[C@H]1[C@H](O)[C@H]2O)N1CC(Cl)C1 2334036869 KJDZRNCDKFLOBS-HUBMKLMBSA-N 310.803 -0.878 50 10 DBGE Cc1scc(C(=O)N2CCS[C@@H](CO)C2)c1B(O)O 2343512076 SAGDTLHSSQAYRB-MRVPVSSYSA-N 301.198 -0.714 50 10 DBGE O=S(=O)(N[C@H]1C[C@@H]2OCCC[C@H]12)c1cscc1B(O)O 2359281529 ASCDPHAARXAOBT-JEZHCXPESA-N 317.197 -0.726 50 10 DBGE CS(=O)(=O)C1CCN(CCC[C@@H]2C[C@@H]2C(=O)NN)CC1 2362659472 VZBGKQCXOLNRRF-PWSUYJOCSA-N 303.428 -0.098 50 10 DBGE CCN1CCCN(Cc2nc(C(=O)NN)co2)S1(=O)=O 2363917769 JNGRSOFJYJBGGT-UHFFFAOYSA-N 303.344 -0.950 50 10 DBGE O=S(=O)(CCCCCl)NC[C@H](O)CN1CCOCC1 154768840 HXMYSRDYUBXEJL-NSHDSACASA-N 314.835 -0.382 50 10 DBGE N#C/C(=C/N1CCOCC1)C(=O)NCCCN1CCCC1=O 216752080 SVLFTESDXINLBY-SEYXRHQNSA-N 306.366 -0.145 50 10 DBGE CC(C=NNC(=O)CC[C@H](C)O)=NNC(=O)CC[C@@H](C)O 254341043 OGNYKYTZXRJPCL-WDEREUQCSA-N 300.359 -0.098 50 10 DBGE O=C(NNC(=O)[C@@H]1COCCO1)NC1Cc2ccccc2C1 273950212 MHBZGAZRGOMRBB-ZDUSSCGKSA-N 305.334 -0.100 50 10 DBGE CN(C)CCCSCC(=O)N1CCC(C(=O)NN)CC1 400801238 YZEJHBLBTCPMIA-UHFFFAOYSA-N 302.444 -0.100 50 10 DBGE CCCCOCCOC(=O)C[S@](=O)CC(=O)NNC(C)=O 586364423 KIXJAXMHQNBFLJ-OAQYLSRUSA-N 322.383 -0.738 50 10 DBGE O=C(O)/C=C\c1cc(B(O)O)c2c([C@H](O)C(=O)O)csc2c1 725409475 BCBYKGPXFKAYEX-BIOMNHJASA-N 322.103 -0.203 50 10 DBGE O=C(CN1CC(=O)NC1=O)NNC(=O)c1cccc(Cl)c1 732257559 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CCN(CCO)NC(=O)CNC(=O)c1ccc2c(c1)OCO2 1299915751 ADCKXHTUDQBGQB-UHFFFAOYSA-N 309.322 -0.510 50 10 DBGE C[C@H](CO)N(C)NC(=O)c1ccc(S(N)(=O)=O)cc1F 1299922886 HKOPWXXMFGTBGI-SSDOTTSWSA-N 305.331 -0.570 50 10 DBGE COc1cc([N+](=O)[O-])cn(CC(=O)NNC(=O)C2CC2)c1=O 1307379548 QOBCJGQIMZKLEH-UHFFFAOYSA-N 310.266 -0.678 50 10 DBGE CS(=O)(=O)CCCNC(=O)NNC(=O)Cc1ccccn1 1318281990 RQRQUUDWZGJNLT-UHFFFAOYSA-N 314.367 -0.611 50 10 DBGE NC(=O)c1cccc(NC(=O)C(=O)NNC(=O)[C@H]2CCCO2)c1 1324257972 UHKHNJZOLYOOSV-SNVBAGLBSA-N 320.305 -0.950 50 10 DBGE CN1CCC(C=NNC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 1332257784 BDJKQMDDWRDKBY-LLVKDONJSA-N 302.400 -0.200 50 10 DBGE CO[C@]1(C(=O)NN=c2cc[nH]cc2F)CCS(=O)(=O)C1 1334704104 BXOUFVRGIQGXKA-LLVKDONJSA-N 303.315 -0.711 50 10 DBGE C[C@H]1OCC[C@H]1C(=O)NNC(=O)CN1CCN(C2CC2)C1=O 1347805799 KPRVDWCBHCMESK-MWLCHTKSSA-N 310.354 -0.541 50 10 DBGE C[C@H](CO)N(C)NC(=O)[C@@H](O)[C@H](O)c1nc2ccccc2[nH]1 1452348413 JZVZIGXRAXFNRM-ZHAHWJHGSA-N 308.338 -0.699 50 10 DBGE CNC(=O)NNC(=O)c1cc(S(N)(=O)=O)cc(F)c1C 1464433507 RHTVXFAUSJTZMC-UHFFFAOYSA-N 304.303 -0.645 50 10 DBGE CNC(=S)N(C)NC(=O)CCN/C(O)=C1\N=CC=CC1=O 1468750984 LRWGWOCZGVEDEB-ZHACJKMWSA-N 311.367 -0.630 50 10 DBGE CS(=O)(=O)CCCCCNC(=O)NNC(=O)c1cn[nH]c1 1469873762 RAPLFTKYDSBGIG-UHFFFAOYSA-N 317.371 -0.431 50 10 DBGE CN1CCO[C@@H](C(=O)NNc2cc(C#N)cc(Cl)n2)C1=O 1566430911 NVBCFOALJUTCFP-JTQLQIEISA-N 309.713 -0.093 50 10 DBGE Cc1nnc2n1C[C@H](C(=O)NNC(=O)c1ccnnc1)CC2 1570430206 IXCPBPHFGBHMFI-SNVBAGLBSA-N 301.310 -0.600 50 10 DBGE CCN(CCO)NC(=O)c1cn(CC(=O)OC(C)(C)C)nn1 1631047119 HTKJAPGYGHKFMQ-UHFFFAOYSA-N 313.358 -0.421 50 10 DBGE Cc1cnc(F)cc1C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 1638300163 FZLAWJJATBRQRP-ZETCQYMHSA-N 318.330 -0.772 50 10 DBGE COC[C@H](NC(=O)NNC(=O)c1cccnn1)[C@H]1CCCOC1 1638475321 SPOZXMYTWQHSGE-JQWIXIFHSA-N 323.353 -0.138 50 10 DBGE C[C@H](CO)N(C)NC(=O)COCCNC(=O)OC(C)(C)C 1640025421 BPPQLVSTDFRVBS-SNVBAGLBSA-N 305.375 -0.129 50 10 DBGE N=C1NC(=O)[C@@H](CC(=O)NNC(=O)Cc2ccccc2O)S1 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C[C@@H]1C[C@@H](C)N(S(=O)(=O)c2cscc2B(O)O)CCN1 2282741850 TXCHWGTTZZNHDL-RKDXNWHRSA-N 318.229 -0.811 50 10 DBGE Cc1cc(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@H]3C[C@@H]32)sc1B(O)O 2282742254 ZXJFLCHSAPHIRN-QEYWKRMJSA-N 313.209 -0.235 50 10 DBGE C[C@H]1C[C@@H]1CN(C)S(=O)(=O)c1ccc(F)c(B(O)O)c1 2282742304 ASIMDNQROZIKLA-DTWKUNHWSA-N 301.148 -0.218 50 10 DBGE O=C(O)[C@@H]1CC(F)(F)CN1C(=O)c1ccsc1B(O)O 2284423361 QLXOKEHEDIQGEI-LURJTMIESA-N 305.067 -0.638 50 10 DBGE CC[C@H]1SC[C@H](C(=O)O)N1C(=O)c1ncsc1B(O)O 2284457155 VZFDAASHZVGECV-PHDIDXHHSA-N 316.169 -0.799 50 10 DBGE O=S(=O)(NC1CCCNCCC1)c1cscc1B(O)O 2284496690 DBNHKUSEBPGHCW-UHFFFAOYSA-N 318.229 -0.762 50 10 DBGE Cc1nnccc1CNS(=O)(=O)c1cc(B(O)O)cs1 2290044601 XTNGBWBGJCNZFC-UHFFFAOYSA-N 313.169 -0.995 50 10 DBGE O=C1C(=O)N2CCNC[C@H]2CN1C[C@@H]1C[C@H]1Br 2298145588 VXXDAJFCUFISGQ-XHNCKOQMSA-N 302.172 -0.588 50 10 DBGE O=C(c1cc(B(O)O)sn1)N1CC[C@@H](SC(F)F)C1 2340108163 REVAPZUEYIAQQX-RXMQYKEDSA-N 308.140 -0.007 50 10 DBGE CS(=O)(=O)[C@H]1CCN(C[C@@H]2CCC[C@H](C(=O)NN)O2)C1 2357320268 LBRZPCICNUALLT-GARJFASQSA-N 305.400 -0.967 50 10 DBGE O=C(NCc1cc(C(F)F)no1)c1cnsc1B(O)O 2362503796 UYKJHOGVWWBIJD-UHFFFAOYSA-N 303.055 -0.322 50 10 DBGE O=C(N[C@H]1CCOCCC1(F)F)c1cnsc1B(O)O 2362575982 BIYGSSIDRQJUGN-ZETCQYMHSA-N 306.099 -0.633 50 10 DBGE CCCS(=O)(=O)N(C)NC(=O)N[C@@H](C)COCC(=O)O 2365290590 RQEVLDVMJGFRDL-QMMMGPOBSA-N 311.360 -0.638 50 10 DBGE CCS(=O)(=O)N(C)NC(=O)NC1C[C@H]2C(C(=O)O)[C@@H]2C1 2365292182 OMVYRQHWARKPAN-OMRMXDSLSA-N 305.356 -0.409 50 10 DBGE CN(NC(=O)N1[C@@H](C(=O)O)COCC1(C)C)S(C)(=O)=O 2365304898 QKXVUDFFKTTZGX-SSDOTTSWSA-N 309.344 -0.934 50 10 DBGE CCCS(=O)(=O)N(C)NC(=O)NC[C@@H]1C[C@@H]1CC(=O)O 2365324849 VSDRNVWLNRCTAK-BDAKNGLRSA-N 307.372 -0.017 50 10 DBGE CCS(=O)(=O)N(C)NC(=O)NCC1(C(=O)O)CC=CC1 2365329366 SYIPFTKQDHWZQR-UHFFFAOYSA-N 305.356 -0.097 50 10 DBGE COC1=CC([N+](=O)[O-])=C/C(=C\NNC(=O)c2nonc2C)C1=O 38175829 QUVFNJGZXUYPOS-FNORWQNLSA-N 321.249 -0.230 50 10 DBGE O=S1(=O)C[C@H](Cl)[C@H](NS(=O)(=O)N2CCCC2)C1 134669433 HGGVQLIHBDXMFJ-JGVFFNPUSA-N 302.805 -0.679 50 10 DBGE COC(=O)[C@@H]1C[C@@H]1C(=O)NNC(=O)[C@H]1COc2ccccc2O1 263862039 BHQZQCVGQDYOEH-YGOYTEALSA-N 320.301 -0.217 50 10 DBGE CC(C)(C)[C@@H](C(=O)NN)N1CCSC[C@H]1S(C)(=O)=O 395825495 WHBNKFULXHUBKP-RKDXNWHRSA-N 309.457 -0.190 50 10 DBGE Cn1cc(S(=O)(=O)N(CCCl)C2CC2)c(=O)n(C)c1=O 405301210 JMJKWFXMFFMBOM-UHFFFAOYSA-N 321.786 -0.524 50 10 DBGE O=S(=O)(CCCCl)NCCN1CCCCS1(=O)=O 405967670 JWWXTCMWIHJHQS-UHFFFAOYSA-N 318.848 -0.040 50 10 DBGE COc1cccc(-c2nc(C(=O)O)cc(=O)n2CC(=O)NN)c1 585935448 PDNMBISCBGEGJL-UHFFFAOYSA-N 318.289 -0.393 50 10 DBGE COc1ccc(COCC(=O)NNC(=O)[C@@H]2COCCO2)cc1 744644173 SVNFTMISMFTQRV-ZDUSSCGKSA-N 324.333 -0.225 50 10 DBGE CN(C)C(=O)CNC(=S)NNC(=O)[C@@H]1Cc2ccccc2O1 748162212 WQRIFDFOWTVRIP-NSHDSACASA-N 322.390 -0.426 50 10 DBGE Cc1ccccc1CC(=O)NNC(=O)CS(=O)(=O)N(C)C 752575211 HIRHDNJSHFRQHH-UHFFFAOYSA-N 313.379 -0.424 50 10 DBGE Cc1ccc(C(=O)NNC(=O)CC[C@H]2NC(=O)NC2=O)cc1F 774051512 BFESWWLYSFDZJZ-SNVBAGLBSA-N 322.296 -0.117 50 10 DBGE CN(C)S(=O)(=O)CC(=O)NNc1ccccc1[N+](=O)[O-] 784975523 XHDQJRDAEOKFFM-UHFFFAOYSA-N 302.312 -0.071 50 10 DBGE O=C(NN=C1CCCc2c[nH]nc21)N[C@@H]1CCS(=O)(=O)C1 788993635 BGMFVEHTLBLDTC-SECBINFHSA-N 311.367 -0.064 50 10 DBGE CCOc1nc(C(=O)NNC(=O)[C@H]2CCc3nncn3C2)co1 816876265 SBALQRAZFMWSTI-QMMMGPOBSA-N 320.309 -0.312 50 10 DBGE NC(=O)N1CCC[C@H](C(=O)NNC(=O)[C@H]2CCCS2)C1 819654705 LZGYWWGTTQOVKC-DTWKUNHWSA-N 300.384 -0.180 50 10 DBGE CN1C(=O)CC[C@H](NC(=O)NNC(=O)Cc2ccccn2)C1=O 822956089 FQANNFCGVKNIQV-JTQLQIEISA-N 319.321 -0.898 50 10 DBGE Cc1nc(CC(=O)NNC(=O)[C@@H]2Cc3ccccc3O2)n[nH]1 824890080 XRQPQRHBDCEVIY-NSHDSACASA-N 301.306 -0.193 50 10 DBGE CO[C@H]1CC[C@H](C(=O)NNC(=O)CNC(=O)c2ccco2)C1 825274256 RYOPPICQIGQIIF-UWVGGRQHSA-N 309.322 -0.028 50 10 DBGE CCCN1CC[C@H](NC(=O)NNC(=O)[C@@H]2COCCO2)C1 852163354 BTOVTZVDDYUCJU-QWRGUYRKSA-N 300.359 -0.784 50 10 DBGE C[C@]1(C(=O)NNC(=O)CN2CCN(C3CC3)C2=O)CCCO1 854689731 IHBZIWJFSJAPLH-CQSZACIVSA-N 310.354 -0.397 50 10 DBGE CO[C@H](C(=O)NNC(=O)CNC(=O)c1cccnc1)C1CCC1 857155575 VFQSJZDZJDXERP-ZDUSSCGKSA-N 320.349 -0.226 50 10 DBGE Cc1ncsc1C(=O)NNC(=O)N1C[C@H]2C(=O)OC[C@H]2C1 858197425 DOPYTYBSZAHAGE-HTQZYQBOSA-N 310.335 -0.089 50 10 DBGE Cc1ncsc1C(=O)NNC(=O)NC[C@@H]1COCCN1C 858198280 LPOMVIDCRPYLGK-SECBINFHSA-N 313.383 -0.274 50 10 DBGE Cc1cc(NC(=O)NNC(=O)[C@H]2CCC(=O)N2)c(N(C)C)nn1 861207437 CILZMYPSSXQBLU-MRVPVSSYSA-N 321.341 -0.718 50 10 DBGE Cc1cc(O)cc(=O)n1CCC(=O)NNC(=O)[C@H]1CC[C@@H](C)O1 862889505 IVPXLUVIMIXVNZ-ZYHUDNBSSA-N 323.349 -0.033 50 10 DBGE CS(=O)(=O)CC(=O)NNC(=O)C[C@@H]1OCc2ccccc21 863467498 YZFTYKRDZHGXBA-NSHDSACASA-N 312.347 -0.160 50 10 DBGE O=C(NNC(=O)[C@@H]1CCCS1)c1ccc2c(c1)COB2O 863884233 DAFWUXCVIQTECI-NSHDSACASA-N 306.152 -0.439 50 10 DBGE O=C(NNc1nc2ccccc2[nH]1)c1cnn(C[C@H](O)CO)c1 1170962691 NMMKKBSBPKVDPJ-JTQLQIEISA-N 316.321 -0.131 50 10 DBGE C[C@H](CNC(=O)NNC(=O)c1ncccn1)N1CCN(C)CC1 1256502995 BDYFUMHMSCZYEX-LLVKDONJSA-N 321.385 -0.944 50 10 DBGE O=C(CC1(n2cnnn2)CCOCC1)NNc1ncncc1F 1329479828 HUKFYIKHIWGLRQ-UHFFFAOYSA-N 322.304 -0.359 50 10 DBGE C[C@@]1(CNC(=O)C(=O)N[C@H]2CCNC2=O)C[C@@H]1Br 1331372972 CUPAJUSROGXEST-HFJPGXAFSA-N 318.171 -0.719 50 10 DBGE COC(=O)C(=O)NNC(=O)N[C@H]1CCC[C@@H]1Cc1cnn(C)c1 1350554044 ZOOTVXGRUAXOPN-MNOVXSKESA-N 323.353 -0.365 50 10 DBGE O=C(Cc1ccccn1)NNC(=O)C[C@H]1CCS(=O)(=O)C1 1456193143 QMBQZUKPZKPEGW-SNVBAGLBSA-N 311.363 -0.404 50 10 DBGE Cc1nocc1C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 1464440725 CSWUCCXYTRLQCX-ZETCQYMHSA-N 302.312 -0.886 50 10 DBGE Cc1cc(CC(=O)NNC(=O)COCc2ccnc(O)c2)n[nH]1 1469429648 HXUHDIYIFGUDCL-UHFFFAOYSA-N 319.321 -0.275 50 10 DBGE O=C(NNC(=O)c1cccnn1)N[C@H]1CCC2(C1)OCCO2 1478319110 QCCCWUJSNOERRN-VIFPVBQESA-N 307.310 -0.284 50 10 DBGE CNC(=O)NNC(=O)Cn1ccc(Br)cc1=O 1542262732 TZMPGZYPULLQGI-UHFFFAOYSA-N 303.116 -0.429 50 10 DBGE Cn1cnc2ccc(C(=O)NNC(=O)[C@H]3CCC(=O)N3)nc21 1557663794 FAFMRBXIFOSLMT-MRVPVSSYSA-N 302.294 -0.992 50 10 DBGE CC(=O)c1cn(CC(=O)NNC(=O)c2ccccc2O)nn1 1558896067 XOFPWHBGDMFQJL-UHFFFAOYSA-N 303.278 -0.353 50 10 DBGE CC(=O)Nc1ccc(CNC(=O)c2ccc(B(O)O)cc2)cn1 1618250122 RIPWQNVNNIWABL-UHFFFAOYSA-N 313.122 -0.350 50 10 DBGE O=C(NNC(=O)c1cn(C[C@@H]2CCOC2)nn1)c1ccnnc1 1626756715 YNZQRDJHBQZZGZ-VIFPVBQESA-N 317.309 -0.821 50 10 DBGE O=C(CNC(=O)c1ccco1)NNC(=O)[C@@]12CCCN(CC1)C2 1627569141 ONJJRRHANGBUDA-HNNXBMFYSA-N 320.349 -0.357 50 10 DBGE CON1CCC(NC(=O)NNC(=O)c2ccc(=O)n(C)c2)CC1 1636271342 JBANUDUFHFFZNZ-UHFFFAOYSA-N 323.353 -0.645 50 10 DBGE C/C(C#N)=C/CN1C(=O)C(=O)N(CCCN2CCOCC2)C1=O 1652729948 BDAIRDQKDGZVMB-BASWHVEKSA-N 320.349 -0.031 50 10 DBGE CC(C)[C@H](NC(=O)NNC(=O)c1cn[nH]c1)c1nncn1C 1682216151 FIKSKIPCVKGTKV-VIFPVBQESA-N 306.330 -0.121 50 10 DBGE O=C(NNC(=O)c1ncccn1)N[C@@H]1C[C@H]2C[C@H]1[C@H](CO)C2 1687835253 BZWFMTPIPDHJHB-VPOLOUISSA-N 305.338 -0.172 50 10 DBGE COC1(C)CN(CC(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2Cl)C1 1884242109 XFJJCPIWPZRWAI-DTWKUNHWSA-N 310.803 -0.772 50 10 DBGE COC[C@@H](C(=O)NN)N(C)C[C@@H](O)COCc1ccccc1 1916368163 CIKHDAVVVGRZQS-KGLIPLIRSA-N 311.382 -0.499 50 10 DBGE O=S1(=O)CC(S(=O)(=O)N2CC[C@@H]3[C@H](CCl)[C@@H]3C2)C1 1917998129 VSLBMAFOOAERKM-KXUCPTDWSA-N 313.828 -0.080 50 10 DBGE CC1(C)CN(Cc2ccccc2)[C@@H](CNC(=O)C(=O)NN)CO1 1990437552 TZHQZJRXPRCSSY-ZDUSSCGKSA-N 320.393 -0.228 50 10 DBGE CO[C@H](C)CN(C)c1ncc(B(O)O)cc1Br 2005017710 JIFAWQDYURTCML-SSDOTTSWSA-N 302.965 -0.005 50 10 DBGE CN(C[C@H]1C[C@@H]1Br)C(=O)N[C@H](CC(N)=O)C(=O)O 2076265077 GABXBIOPZRXCPG-DSYKOEDSSA-N 322.159 -0.260 50 10 DBGE Cc1csc(CNS(=O)(=O)CC2CCC2)c1B(O)O 2100799539 YGDVBPAOFKOAGT-UHFFFAOYSA-N 303.214 -0.044 50 10 DBGE C[C@@H](c1cc(B(O)O)cs1)N(C)S(=O)(=O)[C@@H](C)C#N 2130039621 AUBIKINFAGLKOQ-YUMQZZPRSA-N 302.186 -0.337 50 10 DBGE C[C@@H](NS(=O)(=O)[C@@H]1CC1(F)F)c1nscc1B(O)O 2130078122 QTRXECDFSRWZEM-INEUFUBQSA-N 312.128 -0.789 50 10 DBGE CC(C)CCS(=O)(=O)N[C@@H](C)c1nscc1B(O)O 2130080713 JUQAVPAZZQYNAW-QMMMGPOBSA-N 306.218 -0.151 50 10 DBGE O=C(NCc1cnc(B(O)O)s1)c1csc2cncn12 2151229977 DOXYHAYXBKINSW-UHFFFAOYSA-N 308.153 -0.538 50 10 DBGE CC(C)(C)[C@@H](C(=O)NN)N1CC(NS(=O)(=O)C2CC2)C1 2165583810 NEXANWHNLJZMRM-SNVBAGLBSA-N 304.416 -0.843 50 10 DBGE CCOCCNC(=O)N(C)[C@@H](C)c1nscc1B(O)O 2191829641 LQYHRDQGPPKYNP-QMMMGPOBSA-N 301.177 -0.438 50 10 DBGE C[C@@H]1C[C@H](O)CCN1c1ncc(Br)cc1B(O)O 2223670664 BAPOONHWWHTHDZ-VXNVDRBHSA-N 314.976 -0.127 50 10 DBGE C[C@@H](CCl)CS(=O)(=O)N1CCN2C(=O)COC[C@H]2C1 2228660641 DDQJKBINEPSILG-VHSXEESVSA-N 310.803 -0.266 50 10 DBGE O=S(=O)(Nc1nc(B(O)O)ccc1Cl)N1CCCCC1 2241159456 XXDWTYFLHVGDTF-UHFFFAOYSA-N 319.579 -0.443 50 10 DBGE CC[C@H](O)CN(Cc1ccccc1)C(=O)c1cc(B(O)O)n[nH]1 2243372242 FCQJYUNRMJPSST-LBPRGKRZSA-N 317.154 -0.497 50 10 DBGE O=C(c1cncc(B(O)O)c1)N(CCCO)Cc1ccccc1 2243410272 YMLCKMOKNSLDDQ-UHFFFAOYSA-N 314.150 -0.214 50 10 DBGE Cc1sc(B(O)O)c(C(=O)NC[C@@H](C)[S@](C)=O)c1C 2267059159 DYZUTBKBDDUBQE-YIVBRQOJSA-N 303.214 -0.458 50 10 DBGE Cc1nn[nH]c1CNC(=O)c1cc(B(O)O)c(Cl)s1 2267073742 ZPUQUMOUSFMGDO-UHFFFAOYSA-N 300.536 -0.562 50 10 DBGE COCCC1(NS(=O)(=O)c2cc(B(O)O)cs2)CC1 2267199711 ADJZQYPLGHMMOJ-UHFFFAOYSA-N 305.186 -0.725 50 10 DBGE O=S(=O)(N[C@H]1CCCSCC1)c1ccc(B(O)O)s1 2267206613 JBSJUZNLPAWSID-QMMMGPOBSA-N 321.254 -0.008 50 10 DBGE Cc1cc(B(O)O)cc(C(=O)N2CCC[C@H]2C2OCCO2)c1 2267336139 XGCRGDMOVIZHME-ZDUSSCGKSA-N 305.139 -0.348 50 10 DBGE Cc1sc(B(O)O)cc1S(=O)(=O)N(C)CC1(F)CC1 2267380911 MMVMWCIDJUZWLM-UHFFFAOYSA-N 307.177 -0.141 50 10 DBGE N#C[C@H]1CCC[C@H]1NS(=O)(=O)c1cscc1B(O)O 2267390020 XPQNPRYTISXHTE-VXNVDRBHSA-N 300.170 -0.602 50 10 DBGE Cc1csc(C(=O)N=[S@]2(=O)CC[C@H](N)C2)c1B(O)O 2267441005 OJHYHDQFBOVIKK-IIYDVTGLSA-N 302.186 -0.924 50 10 DBGE COC1(CN(C)S(=O)(=O)c2sccc2B(O)O)CC1 2267607044 HMJWYSNJPJEYQS-UHFFFAOYSA-N 305.186 -0.773 50 10 DBGE CO[C@@H]1C[C@@H]1CN(C)S(=O)(=O)c1ccc(B(O)O)s1 2267614188 KNKGUQPTWRANGF-HTQZYQBOSA-N 305.186 -0.917 50 10 DBGE C#CCN(C)S(=O)(=O)c1c(Cl)cc(B(O)O)cc1Cl 2267619190 ODOOKYREOVFJFG-UHFFFAOYSA-N 321.978 -0.073 50 10 DBGE CCS(=O)(=O)C[C@H](C)Nc1cc(B(O)O)c(Cl)cn1 2277603986 GMEDDKRMEBORDV-ZETCQYMHSA-N 306.580 -0.350 50 10 DBGE Cn1cnc(S(=O)(=O)N2C[C@@H]3OC[C@H](CCl)O[C@@H]3C2)c1 2279917457 ZGMLKBCSEICOGT-LPEHRKFASA-N 321.786 -0.184 50 10 DBGE O=C(NCc1c[nH]nc1C(F)F)c1nscc1B(O)O 2281592167 RSFCCJVJFFLKCZ-UHFFFAOYSA-N 302.071 -0.586 50 10 DBGE CS(=O)(=O)[C@@H]1CC[C@@H](NC(=O)c2cscc2B(O)O)C1 2281604167 HVESXOCMTRROFJ-HTQZYQBOSA-N 317.197 -0.877 50 10 DBGE CC(C)(C)S(=O)(=O)CCNC(=O)c1csc(B(O)O)c1 2281614398 HTCDDKXJWOCBPL-UHFFFAOYSA-N 319.213 -0.629 50 10 DBGE CC1(C)CN(C(=O)c2sccc2B(O)O)CCS1(=O)=O 2281749791 QGHVKEJWZAWWNJ-UHFFFAOYSA-N 317.197 -0.923 50 10 DBGE O=C(N[C@H]1C[C@H]2C[C@H]1C[C@@H]2O)c1cc(B(O)O)c(Cl)s1 2281911937 FEGKDAHDKMISFX-FAYXRDSDSA-N 315.587 -0.030 50 10 DBGE O=C(N[C@H]1C[C@H]2CNC[C@H]1C2)c1cc(B(O)O)c(Cl)s1 2281921257 YCAVXJLEUQWYMB-OOZYFLPDSA-N 314.603 -0.191 50 10 DBGE C[C@H]1CN(S(=O)(=O)c2ccc(B(O)O)s2)C[C@@H](C)N1C 2282070303 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CN(NC(=O)N[C@H]1C[C@H](C(=O)O)C1)S(=O)(=O)C1CCC1 2365274687 GNDCRQJPDPSIRY-ZKCHVHJHSA-N 305.356 -0.122 50 10 DBGE C[C@@H]1CN(C(=O)NN(C)S(=O)(=O)C2CC2)C[C@H]1C(=O)O 2365277861 HGPYDEBKDBPYSK-VXNVDRBHSA-N 305.356 -0.313 50 10 DBGE CCCS(=O)(=O)N(C)NC(=O)C(C)(C)N1CCNCC1 2365282668 FGCOCZXLMNXVKL-UHFFFAOYSA-N 306.432 -0.627 50 10 DBGE CN(NC(=O)C1(C(=N)NO)CCC1)S(=O)(=O)C1CCC1 2365322848 RQYDMJROWLRIAH-UHFFFAOYSA-N 304.372 -0.042 50 10 DBGE CCS(=O)(=O)N(C)NC(=O)NC[C@]1(F)C[C@@H](C(=O)O)C1 2365328488 DJSRMLPGRHYHKP-WKFQBHICSA-N 311.335 -0.315 50 10 DBGE Cc1ccc(C(=O)NNC(=O)Cn2ccc(=O)n(C)c2=O)s1 129712893 DHLRJZCGBKGVHZ-UHFFFAOYSA-N 322.346 -0.622 50 10 DBGE CS(=O)(=O)[C@@H]1CSCCN1Cc1cccc(B(O)O)c1 203548559 POKPYYQTKFBWBM-GFCCVEGCSA-N 315.225 -0.714 50 10 DBGE CNCCCN(C)CC(=O)N[C@H]1CS(=O)(=O)C[C@H]1Cl 249860139 XTGNNRGDZNCRQS-ZJUUUORDSA-N 311.835 -0.952 50 10 DBGE COCCNC(=O)C(=O)NN=Cc1cccc(OC)c1OC 254841929 VJORDGSJJCTYQF-UHFFFAOYSA-N 309.322 -0.084 50 10 DBGE O=C(NNC(=O)[C@H]1CC(c2ccccc2)=NO1)[C@H]1COCCO1 266699658 PKLQIAFUXMDAST-CHWSQXEVSA-N 319.317 -0.258 50 10 DBGE CCS(=O)(=O)NCC(=O)NNC(=O)NCc1ccccc1 276134369 AFSKUUFKTZPPJW-UHFFFAOYSA-N 314.367 -0.544 50 10 DBGE COCCO[C@@H](C)C(=O)NNC(=O)Nc1nnc(OC)s1 282949014 XSVWXYOKPYVHAU-LURJTMIESA-N 319.343 -0.249 50 10 DBGE C[C@@H]1[C@H](O)CCCN1CC(=O)N[C@H]1CS(=O)(=O)C[C@H]1Cl 394949550 GYWJEDSYXLUTJM-CHWFTXMASA-N 324.830 -0.648 50 10 DBGE C[C@H]1CN(Cc2cc(C(=O)NN)co2)C[C@@H](C)S1(=O)=O 400885543 IQBHUBAOZVFQQX-DTORHVGOSA-N 301.368 -0.110 50 10 DBGE O=C(c1cccc(B(O)O)c1)N1CC[C@H](Nc2ncccn2)C1 585001487 WQKOJLYQRMSUNP-ZDUSSCGKSA-N 312.138 -0.517 50 10 DBGE CN(Cc1cc(B(O)O)cs1)S(=O)(=O)c1cccnn1 712699270 FTUOCCCDKSJCFH-UHFFFAOYSA-N 313.169 -0.961 50 10 DBGE C[C@H](NC(=O)NNC(=O)Cc1ccccn1)[C@@H]1CN(C)CCO1 769997540 KUBUNGIVWJJSRG-AAEUAGOBSA-N 321.381 -0.326 50 10 DBGE Cc1ncc(CCNC(=O)NNC(=O)[C@H]2COCCO2)s1 771989882 AUXVCVUMHXPDFB-SNVBAGLBSA-N 314.367 -0.260 50 10 DBGE Cc1ccc(NNC(=O)C(=O)NC[C@H](C)S(N)(=O)=O)cc1 783346803 ZIVHCZAAXKTWKB-VIFPVBQESA-N 314.367 -0.769 50 10 DBGE COC[C@H](C)[C@@H](C)C(=O)NNC(=O)[C@@H]1CCc2nncn2C1 816877224 ORATTZQZFUUNTO-HBNTYKKESA-N 309.370 -0.094 50 10 DBGE CCN(CC)S(=O)(=O)CC(=O)NNC(=O)[C@@H]1CCCS1 819661655 NKYQXLMGJNWSFW-VIFPVBQESA-N 323.440 -0.299 50 10 DBGE C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)NNC(=O)[C@@H]1CCCS1 819665327 YXAPGNQTPQUIQK-UJNFCWOMSA-N 315.395 -0.695 50 10 DBGE C[C@@H](CS(C)(=O)=O)NC(=O)NNC(=O)[C@H]1CCCS1 824332191 XOHDVUKPCYBTIX-JGVFFNPUSA-N 309.413 -0.355 50 10 DBGE CCN1C[C@H](CNC(=O)NNC(=O)[C@@H]2C[C@H]3CC[C@H]2O3)CC1=O 845483470 LSBZXIVFMXLICQ-IRCOFANPSA-N 324.381 -0.247 50 10 DBGE Cc1oc(C(=O)NNC(=O)[C@H]2CCCO2)cc1S(C)(=O)=O 861823681 VGYGAIQBRBODCT-MRVPVSSYSA-N 316.335 -0.068 50 10 DBGE CCn1nc(C)cc1NC(=O)C(=O)NNC(=O)[C@H]1CCCCO1 861875086 RXTSAASNJKVDMO-SNVBAGLBSA-N 323.353 -0.134 50 10 DBGE CCn1cc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)c(C2CC2)n1 1131507625 BLCUHMYHVSLAIJ-JTQLQIEISA-N 305.338 -0.180 50 10 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CC1(C)NC(=O)N(CC(=O)NNC(=O)[C@@H]2CCCCO2)C1=O 1450270985 IBTIDNHCIJLAEK-QMMMGPOBSA-N 312.326 -0.967 50 10 DBGE CCc1nncn1CCNC(=O)NNC(=O)[C@H]1CCCCO1 1469747120 WGPRRGBSWKGVGA-SNVBAGLBSA-N 310.358 -0.260 50 10 DBGE COC(=O)c1coc(/C=C/C(=O)NNC(=O)c2ncon2)c1 1538721376 YPKHLQMAVYAPPA-NSCUHMNNSA-N 306.234 -0.076 50 10 DBGE N#Cc1ccc(OCC(=O)NNC(=O)c2cnncc2O)cc1 1540289716 AAGUBZTVQIGGJD-UHFFFAOYSA-N 313.273 -0.106 50 10 DBGE CC(C)(O)[C@@H](O)C(=O)NNC(=O)[C@H]1COc2ccccc2O1 1540363516 WOZWUGXKSYKCML-MNOVXSKESA-N 310.306 -0.894 50 10 DBGE O=C(Nc1ccc(C2(O)COC2)cc1)c1ccc(B(O)O)cc1 1570065253 JDCPDPSYKAFUBG-UHFFFAOYSA-N 313.118 -0.164 50 10 DBGE CNC(=O)NNC(=O)CNS(=O)(=O)c1ccc(F)cc1 1583197449 HVVBOIFPRUPTEB-UHFFFAOYSA-N 304.303 -0.936 50 10 DBGE Cn1cc(C(=O)NNc2cccc(S(C)(=O)=O)c2)n(C)c1=O 1598000092 LPRHVHKSDXPLOQ-UHFFFAOYSA-N 324.362 -0.116 50 10 DBGE CN(NC(=O)[C@@H](O)[C@](O)(c1ccccc1)C(F)(F)F)C(N)=O 1630877793 GASXUAMAOCZBPK-LDYMZIIASA-N 321.255 -0.161 50 10 DBGE 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O=C(CN1CCC[C@@H]1CF)N[C@@H]1CS(=O)(=O)C[C@@H]1Cl 1884243876 CJODZVINIFGURR-KXUCPTDWSA-N 312.794 -0.059 50 10 DBGE CN1CCN(C(=O)[C@@H]2C[C@H]2Br)C[C@H]1C(=N)NO 1910109173 HKKYATZLCYUATL-PRJMDXOYSA-N 305.176 -0.132 50 10 DBGE O=C([C@H]1CCS1(=O)=O)N(CCBr)C1COC1 1915688264 HJFAQXDLUOKGDD-MRVPVSSYSA-N 312.185 -0.204 50 10 DBGE O=C1NC(=O)N2CCN(C(=O)[C@@H]3C[C@@H]3Br)C[C@@H]12 2020150203 NGTALYGQSPOBMN-VQVTYTSYSA-N 302.128 -0.468 50 10 DBGE CNC(=O)C[C@@H](C)NS(=O)(=O)c1cn(C)nc1CCl 2123422004 HNVXCNOXWVTYND-SSDOTTSWSA-N 308.791 -0.038 50 10 DBGE CC1(C)CO[C@@H](CO)CN1Cc1nc(C(=O)NN)cs1 2167487217 WVIXSWFSQSLGDO-MRVPVSSYSA-N 300.384 -0.282 50 10 DBGE CCS(=O)(=O)[C@H]1CCN(Cc2cc(C(=O)NN)co2)C1 2179896993 SXNCPHROLFISTH-NSHDSACASA-N 301.368 -0.108 50 10 DBGE CO[C@H]1CCN(Cc2nc(C(=O)NN)cs2)C[C@H]1OC 2199566178 HSFSGNRUGXZKNL-VHSXEESVSA-N 300.384 -0.018 50 10 DBGE Cn1ncnc1Sc1ncc(Br)cc1B(O)O 2217172895 MCCPTKRXYDXASG-UHFFFAOYSA-N 314.961 -0.196 50 10 DBGE CC(C)[C@@H](CN)Nc1ncc(Br)cc1B(O)O 2217198481 BTNHBSJQYZVSSR-SECBINFHSA-N 301.981 -0.081 50 10 DBGE NC(=O)C1(N2CCN(C(=O)[C@H]3C[C@H]3Br)CC2)CC1 2221282019 DTGROODMIUTFDV-DTWKUNHWSA-N 316.199 -0.068 50 10 DBGE C[C@@H]1[C@@H](C)S(=O)(=O)CCN1Cc1cc(B(O)O)cs1 2227154664 YVEUGGTXXPQJAU-RKDXNWHRSA-N 303.214 -0.565 50 10 DBGE O=C(c1ccc(B(O)O)cc1Cl)N1C[C@H](O)C(F)(F)C1 2237083246 FIPUEIQOJSNIAV-VIFPVBQESA-N 305.473 -0.528 50 10 DBGE CN(Cc1ccccc1)C1CN(C(=O)c2c[nH]nc2B(O)O)C1 2243396039 GJQBMTBRXVUVFD-UHFFFAOYSA-N 314.154 -0.954 50 10 DBGE O=C(NC1CCC2(CC1)OCCO2)c1nscc1B(O)O 2255457583 GCVQNLYVINDVPF-UHFFFAOYSA-N 312.156 -0.762 50 10 DBGE Cn1cc(S(=O)(=O)NCC2(O)CSC2)c(CCl)n1 2255993154 JDMHYZTZYRCPMB-UHFFFAOYSA-N 311.816 -0.085 50 10 DBGE CN(CCC1CNC1)C(=O)c1scc(B(O)O)c1Cl 2266983822 XRUFURDGDNDAKK-UHFFFAOYSA-N 302.592 -0.237 50 10 DBGE Cc1cc(C(=O)N2CCS[C@@H](CO)C2)c(B(O)O)s1 2267068227 BQLFNFFHJLXBLG-MRVPVSSYSA-N 301.198 -0.714 50 10 DBGE O=S(=O)(NC[C@@H]1CC12CCC2)c1ccc(B(O)O)s1 2267206677 JVJOKMLUZOXKQL-QMMMGPOBSA-N 301.198 -0.104 50 10 DBGE O=C(N[C@@H]1C[C@@]12CCOC2)c1scc(B(O)O)c1Cl 2267246781 SEKKLMVSGNXZOK-RDDDGLTNSA-N 301.560 -0.010 50 10 DBGE Cn1nc(C(=O)NCCP(C)(C)=O)c(B(O)O)c1Cl 2267345129 IMJMQYIPYTUPBN-UHFFFAOYSA-N 307.483 -0.894 50 10 DBGE C#CCN(CC)S(=O)(=O)c1ccc(Cl)c(B(O)O)c1 2267380936 MZNJQVAJNLJDOE-UHFFFAOYSA-N 301.560 -0.336 50 10 DBGE C#CCN(CC(F)F)S(=O)(=O)c1cscc1B(O)O 2267384827 OYXOJLVDSBQCDL-UHFFFAOYSA-N 309.124 -0.683 50 10 DBGE C[C@H]1OCC[C@]1(C)NS(=O)(=O)c1cscc1B(O)O 2267391817 SDMVAPMAJCPEDZ-XCBNKYQSSA-N 305.186 -0.726 50 10 DBGE Cc1sc(B(O)O)cc1S(=O)(=O)N[C@H]1CSC[C@@H]1C 2267394654 QNGHWEYXEATGBK-XPUUQOCRSA-N 321.254 -0.234 50 10 DBGE O=C(c1cc(B(O)O)c(Cl)s1)N1C[C@@H]2CCO[C@H]2C1 2267422386 WQUXCRKYYMNXNY-XPUUQOCRSA-N 301.560 -0.058 50 10 DBGE O=S(=O)(N[C@@H]1CC[C@H]2CC[C@H]21)c1cc(B(O)O)cs1 2267607788 QSTYGFLJDBMBCA-SZEHBUNVSA-N 301.198 -0.105 50 10 DBGE O=S(=O)(NC[C@@H]1CC[C@H](F)C1)c1sccc1B(O)O 2267614896 UYOXNDHUKCSBGH-SFYZADRCSA-N 307.177 -0.156 50 10 DBGE C[C@H]1C[C@@H](NS(=O)(=O)c2ccc(B(O)O)cc2)CS1 2267615449 CSNMZUSFSUMNRM-WCBMZHEXSA-N 301.198 -0.461 50 10 DBGE Cc1sc(B(O)O)cc1S(=O)(=O)N1CC=C[C@H]1CF 2267617219 HVQYGYMBRDALTQ-QMMMGPOBSA-N 305.161 -0.365 50 10 DBGE O=S(=O)(Cc1ncsc1B(O)O)NC[C@@H]1CC12CC2 2267626209 DEEBUMQPMSZDQR-ZETCQYMHSA-N 302.186 -0.958 50 10 DBGE CN(C)[S@](C)(=O)=NC(=O)c1ccc(B(O)O)cc1Cl 2267723955 BLFVTXLCXXYRLS-LJQANCHMSA-N 304.564 -0.266 50 10 DBGE CCCS(=O)(=O)NC(=O)c1c(Cl)cccc1B(O)O 2269046244 YRXDEXSAPMCRAX-UHFFFAOYSA-N 305.548 -0.511 50 10 DBGE O=C(NCC1(CO)CC(F)(F)C1)c1csc(B(O)O)c1 2281620138 HCCSEQJNFYUXGR-UHFFFAOYSA-N 305.111 -0.435 50 10 DBGE O=C(N[C@H]1CNCCSC1)c1c(Cl)cccc1B(O)O 2281639541 MMVNJKVIPAPZFA-QMMMGPOBSA-N 314.603 -0.545 50 10 DBGE COCC(C)(COC)NC(=O)c1cc(C)c(B(O)O)s1 2281744719 CAVMAMBFOAELDT-UHFFFAOYSA-N 301.173 -0.482 50 10 DBGE C[C@@H](NC(=O)c1scc(B(O)O)c1Cl)c1nncn1C 2281765574 YQIIQOGZGMKYHQ-RXMQYKEDSA-N 314.563 -0.299 50 10 DBGE O=C(c1cncc(B(O)O)c1)N1CCSCC(F)(F)C1 2281766157 PSYOYUOQHGIKBF-UHFFFAOYSA-N 302.111 -0.414 50 10 DBGE O=C(c1scc(B(O)O)c1Cl)N1C[C@H]2CCNC[C@@H]2C1 2281791361 OGWOGHQBAZHHTF-HTQZYQBOSA-N 314.603 -0.237 50 10 DBGE Cc1cc(B(O)O)c(C(=O)N[C@H](C)CCS(C)(=O)=O)s1 2281791644 ZPKRSSXKGADODH-SSDOTTSWSA-N 319.213 -0.711 50 10 DBGE Cc1csc(C(=O)N[C@]23COC[C@H]2C3(F)F)c1B(O)O 2281884001 INEGGFOANSLXLW-LHLIQPBNSA-N 303.095 -0.500 50 10 DBGE O=C(NC[C@H]1C[C@H](O)CCO1)c1cc(B(O)O)c(Cl)s1 2281908447 LEMHPQLWKDCUKO-RNFRBKRXSA-N 319.575 -0.649 50 10 DBGE CC(C)(NS(=O)(=O)c1ccc(B(O)O)s1)[C@H]1CCCO1 2282076855 NPPFZUQDNIHLEY-MRVPVSSYSA-N 319.213 -0.336 50 10 DBGE CN(CC1CCOCC1)S(=O)(=O)c1sccc1B(O)O 2282085312 WXUUGIBJUJWQMF-UHFFFAOYSA-N 319.213 -0.525 50 10 DBGE O=S(=O)(NCCC1CC(F)C1)c1cccc(B(O)O)c1 2282102875 MIRQPSMRVQAUFX-UHFFFAOYSA-N 301.148 -0.217 50 10 DBGE C[C@H](CCNC(=O)c1cccc(F)c1B(O)O)[S@](C)=O 2282242566 OSFYSHCKYORAED-SQFXPLBJSA-N 301.148 -0.608 50 10 DBGE O=S(=O)(Cc1ccccc1B(O)O)N[C@H]1CCCSC1 2282337612 IHUJBAYJGKONBI-NSHDSACASA-N 315.225 -0.319 50 10 DBGE Cc1ccc(S(=O)(=O)N(C)[C@H](C)CCO)c(B(O)O)c1 2282357646 MUOWUEBGUPEGHH-SNVBAGLBSA-N 301.173 -0.934 50 10 DBGE C[C@@H]1[C@@H](NS(=O)(=O)c2ccc(B(O)O)c(F)c2)C1(F)F 2282360664 GDDXZBMLZNNECD-MLUIRONXSA-N 309.074 -0.563 50 10 DBGE CCOC[C@H](C)NS(=O)(=O)c1c(Cl)cccc1B(O)O 2282368866 XHHMEMQGRUUJHN-QMMMGPOBSA-N 321.591 -0.277 50 10 DBGE CC[C@@H](CNS(=O)(=O)c1ccc(C)cc1B(O)O)OC 2282372033 SJAKBPLQBGQDGM-JTQLQIEISA-N 301.173 -0.622 50 10 DBGE O=S(=O)(NC1C[C@H]2[C@H](C1)C2(F)F)c1cscc1B(O)O 2282376193 ABRDRZRREGBUKF-BQBZGAKWSA-N 323.151 -0.250 50 10 DBGE O=S(=O)(NCCC[C@@H]1CCCN1)c1cscc1B(O)O 2282376829 JGFKHIMYEOOUAO-VIFPVBQESA-N 318.229 -0.762 50 10 DBGE O=C(N[C@H]1C[C@@H]([C@H](F)CO)C1)c1cc(B(O)O)c(Cl)s1 2282391746 WIDREJUTLGJSJL-GKROBHDKSA-N 321.566 -0.080 50 10 DBGE CS[C@H](CO)[C@H](C)NC(=O)c1ncc(B(O)O)cc1Cl 2282437761 KAIVZYLIXREBKY-IMTBSYHQSA-N 318.591 -0.743 50 10 DBGE CCCCOCCCNS(=O)(=O)c1cc(B(O)O)cs1 2282712762 VPHBTVYPYPFWPS-UHFFFAOYSA-N 321.229 -0.087 50 10 DBGE O=S(=O)(N[C@H]1C[C@H]2C[C@H]1C[C@H]2F)c1cscc1B(O)O 2282725959 KFECMPFFTQCFTC-KDDQHCCQSA-N 319.188 -0.157 50 10 DBGE CN(Cc1ncccn1)S(=O)(=O)c1cscc1B(O)O 2282730393 AVZXSUSRLVLUCN-UHFFFAOYSA-N 313.169 -0.961 50 10 DBGE C[C@@H](CNS(=O)(=O)c1ccc(B(O)O)cc1F)C(F)F 2282735091 VMQPQXSRBJRPLC-LURJTMIESA-N 311.090 -0.315 50 10 DBGE C[C@@H]1C[C@H](F)CN1S(=O)(=O)Cc1ccccc1B(O)O 2282860302 YHRZIIXXGGWCFG-KOLCDFICSA-N 301.148 -0.372 50 10 DBGE CCN(C)CCNC(=O)c1cc(F)c(B(O)O)cc1Cl 2282972358 OIKRLEUMSRXQLT-UHFFFAOYSA-N 302.542 -0.160 50 10 DBGE COc1ccc(S(=O)(=O)NCC=CB(O)O)c(OC)c1 2284055984 CFOKSEHJCCRFOJ-UHFFFAOYSA-N 301.129 -0.450 50 10 DBGE C[C@@H](F)[C@H](NC(=O)c1ccc(Cl)c(B(O)O)c1)C(=O)O 2284369628 XSBFTGLGYYJTSC-ANLVUFKYSA-N 303.482 -0.439 50 10 DBGE C=C(CS(=O)(=O)Nc1nc(CC(=O)OC)cs1)B(O)O 2284393948 RNDUMXHIGUNKPA-UHFFFAOYSA-N 320.157 -0.832 50 10 DBGE CC=CC[C@@H](NS(=O)(=O)c1cc(B(O)O)cs1)C(=O)O 2284418039 SXOQFNSBAGYNTG-MRVPVSSYSA-N 319.169 -0.874 50 10 DBGE CC[C@@H](NC(=O)c1cc(F)c(B(O)O)cc1Cl)C(=O)O 2284436530 DUAQBXVLUGCZNN-SECBINFHSA-N 303.482 -0.248 50 10 DBGE CSCCN(CC(=O)O)C(=O)c1cc(C)c(B(O)O)s1 2284490574 NWXPSNKBNFVGBH-UHFFFAOYSA-N 317.197 -0.374 50 10 DBGE NC[C@@H]1CCCN1C(=O)c1cc(B(O)O)c(F)cc1Cl 2285964481 HYKNMUFKJVHXNE-ZETCQYMHSA-N 300.526 -0.278 50 10 DBGE C[C@H]1CN(C(=O)c2cc(B(O)O)c(F)cc2Cl)C[C@@H]1N 2285967602 XBUDUMHBFOIZOQ-KGFZYKRKSA-N 300.526 -0.422 50 10 DBGE C[C@H]1C[C@@H]1S(=O)(=O)NCc1sc(Cl)cc1B(O)O 2320689512 ZYMRCLUCVQSOHD-XNCJUZBTSA-N 309.605 -0.091 50 10 DBGE O=C(NC[C@]12CCC[C@H]1CS(=O)(=O)C2)[C@H]1C[C@@H]1B(O)O 2359275753 BOBJJBHJPSLJHT-GMOBBJLQSA-N 301.173 -0.820 50 10 DBGE O=C(N[C@@H]1C[C@@H]2CS(=O)(=O)C[C@@H]2C1)[C@H]1C[C@@H](B(O)O)C1 2359276598 WUVHLZHKVNQKMP-OYJPKYFCSA-N 301.173 -0.821 50 10 DBGE O=S(=O)(Cc1ncsc1B(O)O)N1[C@@H]2C=CC[C@H]1CC2 2359281747 YDSIVKGABHLVOB-BDAKNGLRSA-N 314.197 -0.554 50 10 DBGE O=C(NC[C@H]1CNCC12CC2)c1cc(B(O)O)c(Cl)s1 2361535274 OQTUFVFHTVXXHL-SSDOTTSWSA-N 314.603 -0.189 50 10 DBGE C[C@@H](CNC(=O)NN(C)S(=O)(=O)C1CC1)[C@H](F)C(=O)O 2365281932 SJYLLEPVKPGUIL-XPUUQOCRSA-N 311.335 -0.317 50 10 DBGE CCS(=O)(=O)N(C)NC(=O)N[C@](C)(COC)CC(=O)O 2365328576 GCEPAXDKXTWVMI-JTQLQIEISA-N 311.360 -0.638 50 10 DBGE CCS(=O)(=O)N(C)NC(=O)N[C@]1(C(=O)O)CC[C@H]2C[C@@H]21 2365329540 WXHJGGUZVQJDAN-DKCNOQQISA-N 305.356 -0.265 50 10 DBGE COCCOCCOCCOCc1cc(C(=O)NN)no1 127442492 NQTIQIZATSGNSR-UHFFFAOYSA-N 303.315 -0.526 50 10 DBGE CCOCCC(=O)NNC(=S)NC(=O)/C=C\C(=O)OCC 207409198 IKQOVPQWIJTWHE-WAYWQWQTSA-N 317.367 -0.446 50 10 DBGE N#C/C(=C/NC[C@H]1CCCO1)C(=O)NCCN1CCOCC1 217260366 MNTZZGLOMQNAGB-YBEMTRGBSA-N 308.382 -0.389 50 10 DBGE COc1ccsc1S(=O)(=O)NNC(=O)[C@@H]1COCCO1 268330259 BADCTZFJRBXBFZ-QMMMGPOBSA-N 322.364 -0.518 50 10 DBGE Cc1nc(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c(C)s1 273519488 SKKDRYDDCRTGTL-RXMQYKEDSA-N 320.396 -0.541 50 10 DBGE C[C@@H]1[C@H](CO)CCN1CC(=O)N[C@H]1CS(=O)(=O)C[C@H]1Cl 395105543 LDQGXAJBVHVYCN-YTWAJWBKSA-N 324.830 -0.790 50 10 DBGE COc1cc(NCC(=O)NNC(C)=O)ccc1-n1nnnc1C 586317687 FBDONSZSAWCRRY-UHFFFAOYSA-N 319.325 -0.441 50 10 DBGE CC(C)(C)[C@H](C(=O)NN)N1CCCN(S(C)(=O)=O)CC1 703166173 XQXSLMJWIPIECF-JTQLQIEISA-N 306.432 -0.642 50 10 DBGE CS(=O)(=O)CCS(=O)(=O)CCOCCBr 716382641 QTSKPGHLEDOVMD-UHFFFAOYSA-N 323.230 -0.143 50 10 DBGE CC(=O)N1CSC[C@H]1C(=O)NNC(=O)Cc1ccccn1 729397191 PPYQGUXXWTWUAT-NSHDSACASA-N 308.363 -0.307 50 10 DBGE O=C(C[C@@H]1C(=O)Nc2ccccc21)NNC(=O)c1cnn[nH]1 729458008 ACIXLLNREWXIBC-QMMMGPOBSA-N 300.278 -0.308 50 10 DBGE COC(=O)[C@@H](NNC(=O)[C@H]1COCCO1)c1ccc(C#N)cc1 745217393 UOGQEHHMHNKSDN-OLZOCXBDSA-N 319.317 -0.191 50 10 DBGE C[C@@H]1C[C@H](NC(=O)NNC(=O)[C@H]2COCCO2)CN1C1CC1 753917257 BWDIVAUDNBLXQL-JFGNBEQYSA-N 312.370 -0.643 50 10 DBGE C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)NNC(=O)CCc1ccco1 779511299 TVCYNXHCKLSYCX-TVQRCGJNSA-N 323.349 -0.365 50 10 DBGE Cc1cc(C(F)(F)F)nn1CC(=O)NNC(=O)c1cnn[nH]1 810353768 TZNKOEYHOPJDIX-UHFFFAOYSA-N 317.231 -0.210 50 10 DBGE 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C[C@H]1C[C@@H](NS(=O)(=O)c2cccc(B(O)O)c2)CS1 2267213151 XXODFEIPWOHSPM-WCBMZHEXSA-N 301.198 -0.461 50 10 DBGE O=S(=O)(c1cc(Cl)c(B(O)O)s1)N1CCO[C@H]2C[C@H]21 2267383015 SNTVIVYEGZJCKR-RQJHMYQMSA-N 323.588 -0.757 50 10 DBGE Cc1cc(S(=O)(=O)NOC2CCCC2)sc1B(O)O 2267383629 BVUBMNQHJAKREH-UHFFFAOYSA-N 305.186 -0.111 50 10 DBGE C[C@@H]1C[C@H]1CN(C)S(=O)(=O)Cc1ncsc1B(O)O 2267392000 ULLQWYIAJDKYOX-SFYZADRCSA-N 304.202 -0.760 50 10 DBGE COC[C@H]1C[C@@H](NS(=O)(=O)c2cscc2B(O)O)C1 2267619660 VXZNONLYWYCIPI-OCAPTIKFSA-N 305.186 -0.869 50 10 DBGE O=S(=O)(NC[C@@H]1CC[C@H]2C[C@H]21)c1cscc1B(O)O 2267624375 XPYMMVZDVHYHNI-XHNCKOQMSA-N 301.198 -0.248 50 10 DBGE CSC[C@H](C)NS(=O)(=O)c1ccc(F)c(B(O)O)c1 2267628062 HLEUAMGGPOZFEH-ZETCQYMHSA-N 307.177 -0.465 50 10 DBGE C=C(CS(=O)(=O)N[C@@H](C)[C@@H](OC)C(F)(F)F)B(O)O 2267628754 OOKYXNVIZSXJJE-NKWVEPMBSA-N 305.083 -0.560 50 10 DBGE C[C@@H]1CN(C(=O)c2scc(B(O)O)c2Cl)[C@H]1C(=O)O 2269070359 FINXDSBYKOHODD-CLZZGJSISA-N 303.532 -0.374 50 10 DBGE O=S(=O)(CCOCCCl)N1CC(O)(C(F)(F)CO)C1 2272879552 FJHUPABHNZLLIC-UHFFFAOYSA-N 323.745 -0.754 50 10 DBGE CN1CCN([C@@H]2CCN(S(=O)(=O)N3CC(Cl)C3)C2)CC1 2280033445 LWTQZCLVFRGTCF-GFCCVEGCSA-N 322.862 -0.524 50 10 DBGE O=C1C=C2CN(C(=O)c3ncsc3B(O)O)CC[C@@H]2S1 2281643872 PZXHVVCFTTUEDH-ZETCQYMHSA-N 310.165 -0.763 50 10 DBGE CN(C(=O)c1ncsc1B(O)O)[C@H](CC#N)C(F)(F)F 2281645838 PWESXIONNFPHEH-RXMQYKEDSA-N 307.062 -0.261 50 10 DBGE C[C@H]1CCS[C@H]1CNC(=O)c1nn(C)c(Cl)c1B(O)O 2281654692 LBTIBALOJDMUHW-BQBZGAKWSA-N 317.607 -0.375 50 10 DBGE COCC[S@@](C)(=O)=NC(=O)c1c(F)cccc1B(O)O 2281719214 LQDMLCSCZIYNMO-HXUWFJFHSA-N 303.120 -0.610 50 10 DBGE Cc1cc(C(=O)N2CCC[C@](F)(CO)C2)sc1B(O)O 2281741814 JKWURRTZTQTDFS-GFCCVEGCSA-N 301.148 -0.327 50 10 DBGE Cc1nsc(B(O)O)c1C(=O)N[C@H]1COCCC1(F)F 2281891148 NQRJOABVSQLKEM-LURJTMIESA-N 306.099 -0.715 50 10 DBGE NC[C@H](NC(=O)c1ncc(B(O)O)cc1Cl)C(F)(F)F 2281897762 ZZYHUFSZGIIBQS-LURJTMIESA-N 311.456 -0.966 50 10 DBGE COCC[C@@H](N)CNC(=O)c1c(B(O)O)sc(C)c1C 2281901505 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318.229 -0.682 50 10 DBGE O=S(=O)(c1ccc(Cl)c(B(O)O)c1)N1CC2(F)CC1C2 2282360072 XHNMOYRGRBWQBJ-UHFFFAOYSA-N 319.550 -0.105 50 10 DBGE C=C[C@@]1(C)COCCN1S(=O)(=O)c1cscc1B(O)O 2282360967 KJZPSWKEPMYPLT-NSHDSACASA-N 317.197 -0.607 50 10 DBGE O=S(=O)(NCCOC1CCCC1)c1cscc1B(O)O 2282365823 FJSUTGUMBFIMNN-UHFFFAOYSA-N 319.213 -0.335 50 10 DBGE NC[C@@H](NS(=O)(=O)c1ccc(B(O)O)cc1Cl)C1CC1 2282373651 POVYSPCIZHEOPS-SNVBAGLBSA-N 318.591 -0.965 50 10 DBGE Cc1sc(C)c(S(=O)(=O)N(C)[C@@H]2CC[C@@H]2N)c1B(O)O 2282377821 XAAKLROHJXZJKX-DTWKUNHWSA-N 318.229 -0.845 50 10 DBGE C[C@@H]1C[C@H](CO)CN(S(=O)(=O)c2cscc2B(O)O)C1 2282408762 KKBNGQGLPIDIGB-BDAKNGLRSA-N 319.213 -0.933 50 10 DBGE Cc1nsc(B(O)O)c1C(=O)N1CCS[C@H](CCO)C1 2282449837 SVCRWOREXKYGAG-MRVPVSSYSA-N 316.213 -0.929 50 10 DBGE COC[C@@H](C)CN(C)S(=O)(=O)c1cccc(B(O)O)c1 2282705283 WGJKKJPUWCZDKT-JTQLQIEISA-N 301.173 -0.731 50 10 DBGE C[C@]1(CNS(=O)(=O)c2cscc2B(O)O)CCCOC1 2282727997 NJLVJFDQIAWJSM-LLVKDONJSA-N 319.213 -0.477 50 10 DBGE 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CN(CC[S@@](C)=O)C(=O)c1cc(B(O)O)c(Cl)s1 2255593330 WTGOCDZLDAAJNT-GOSISDBHSA-N 309.605 -0.468 50 10 DBGE C[C@H]1C[C@@H](NS(=O)(=O)c2cscc2B(O)O)CS1 2255758492 LMFGFHVHEHYBIX-NKWVEPMBSA-N 307.227 -0.400 50 10 DBGE C[C@@H]1CCOCCN1S(=O)(=O)c1sccc1B(O)O 2267207587 SHUAZWBTTRNQNN-MRVPVSSYSA-N 305.186 -0.773 50 10 DBGE C[C@H]1CC[C@H](C2OCCO2)N(C(=O)c2cc(B(O)O)c[nH]2)C1 2267215109 ZMOBAHKUNIDDEL-JOYOIKCWSA-N 308.143 -0.692 50 10 DBGE O=C(c1sccc1B(O)O)N1CCS[C@@H](CCO)C1 2267294178 AEZJODIZLQVLPX-QMMMGPOBSA-N 301.198 -0.632 50 10 DBGE C[C@H](CNC(=O)c1cc(Cl)ccc1B(O)O)[S@@](C)=O 2267364886 GXUZSDCZTWFBMO-QOLSBQFWSA-N 303.576 -0.483 50 10 DBGE O=S(=O)(Cc1cccc(B(O)O)c1)NCC1(Cl)CC1 2267365913 XJWATOOFISPKHN-UHFFFAOYSA-N 303.576 -0.443 50 10 DBGE CSSCCNS(=O)(=O)Cc1ccccc1B(O)O 2267367952 BGAMBJTYNKVDBE-UHFFFAOYSA-N 321.254 -0.203 50 10 DBGE O=S(=O)(NCC1(Cl)CC1)c1ccc(F)c(B(O)O)c1 2267377429 IDMFBJZRUXSOKH-UHFFFAOYSA-N 307.539 -0.445 50 10 DBGE O=S(=O)(c1cscc1B(O)O)N1C[C@H](F)C[C@@H](F)C1 2267388661 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50 10 DBGE O=C(NC[C@]1(O)CCSC1)c1ccc(B(O)O)c(Cl)c1 2281700761 JHLXHTMMHIKULP-GFCCVEGCSA-N 315.587 -0.382 50 10 DBGE Cc1sc(C(=O)N[C@@H](CO)CC(F)F)c(B(O)O)c1C 2281786119 SDTOYKVMBBZCME-SSDOTTSWSA-N 307.127 -0.209 50 10 DBGE Cc1sc(C(=O)NCCCCS(C)(=O)=O)cc1B(O)O 2281854838 CKBZIWJHWGFPRM-UHFFFAOYSA-N 319.213 -0.709 50 10 DBGE COCCN(CCOC)C(=O)c1cc(B(O)O)c(C)s1 2281863919 BPOQBFLTOHKKRK-UHFFFAOYSA-N 301.173 -0.529 50 10 DBGE O=C(NC1(CCO)CCSCC1)c1csnc1B(O)O 2281874076 YKEKRSYWCNOOKF-UHFFFAOYSA-N 316.213 -0.799 50 10 DBGE CCCN(C(=O)C1CC(B(O)O)C1)[C@H]1CCS(=O)(=O)C1 2281877690 SQNKVFAUTDGYRZ-ILDUYXDCSA-N 303.189 -0.335 50 10 DBGE O=C(NCC(F)(F)[C@@H]1CCOC1)c1cc(B(O)O)sn1 2281881363 RYIYINOCZPUCFU-ZCFIWIBFSA-N 306.099 -0.776 50 10 DBGE O=C(c1cc(B(O)O)c(Cl)s1)N1CCn2ncnc2C1 2281916342 PCTBKTYBZSYYQI-UHFFFAOYSA-N 312.547 -0.671 50 10 DBGE CC[C@H](C)N(C)CCNS(=O)(=O)c1cc(B(O)O)cs1 2282064916 GSASNLPDUOBHOK-VIFPVBQESA-N 320.245 -0.564 50 10 DBGE CN1CCN(S(=O)(=O)c2ccc(B(O)O)s2)CC1(C)C 2282071033 MMSRMPXABDQVCX-UHFFFAOYSA-N 318.229 -0.857 50 10 DBGE O=S(=O)(c1sccc1B(O)O)N1CC[C@H]2OCC[C@H]2C1 2282075042 QAMTWFLDRPFRTF-WCBMZHEXSA-N 317.197 -0.773 50 10 DBGE CN([C@H]1CCC[C@H]1CN)S(=O)(=O)c1sccc1B(O)O 2282080314 IFRLCIINUHBTJZ-WPRPVWTQSA-N 318.229 -0.824 50 10 DBGE O=S(=O)(NCCc1nccs1)c1ccccc1B(O)O 2282091076 TVBXWIDZXJSJAS-UHFFFAOYSA-N 312.181 -0.656 50 10 DBGE Cc1cc(C(=O)NC2CN(CC(F)F)C2)sc1B(O)O 2282268140 OUTZRBIYIYHGLL-UHFFFAOYSA-N 304.127 -0.585 50 10 DBGE CO[C@@H](C)[C@H](C)NS(=O)(=O)Cc1ccccc1B(O)O 2282343810 RRMYUKQNBRCGNZ-UWVGGRQHSA-N 301.173 -0.791 50 10 DBGE O=S(=O)(Cc1ccccc1B(O)O)N[C@H]1CCC[C@H]1F 2282348040 GODHMTQRZAUAMX-NEPJUHHUSA-N 301.148 -0.324 50 10 DBGE C[C@@H](N)[C@@H]1CCCCN1S(=O)(=O)c1cscc1B(O)O 2282358078 TWORPNBECYCLBJ-SCZZXKLOSA-N 318.229 -0.682 50 10 DBGE C=C(CS(=O)(=O)NCc1ncoc1C(F)(F)F)B(O)O 2282370369 UZZMHLMBUYDSQJ-UHFFFAOYSA-N 314.050 -0.319 50 10 DBGE Cc1sc(B(O)O)cc1S(=O)(=O)N[C@H](C)[C@H]1CCOC1 2282371168 GJLGXIJIOYWVFW-APPZFPTMSA-N 319.213 -0.560 50 10 DBGE Cc1n[nH]cc1NS(=O)(=O)c1ccc(Cl)c(B(O)O)c1 2282381596 VLRDIFZWEWWLFP-UHFFFAOYSA-N 315.547 -0.148 50 10 DBGE Cc1ccc(S(=O)(=O)N[C@H]2CSC[C@H]2C)c(B(O)O)c1 2282422589 DCZOOMKAMFMOMA-KOLCDFICSA-N 315.225 -0.295 50 10 DBGE COCC[C@@H](C)CNC(=O)c1ncc(B(O)O)cc1Cl 2282432995 POFGEIDIACFQBS-MRVPVSSYSA-N 300.551 -0.183 50 10 DBGE CCc1nc(C(=O)NC[C@@H]2OCC[C@H]2F)c(B(O)O)s1 2282446816 MFRAINQMTPNBCB-RQJHMYQMSA-N 302.136 -0.758 50 10 DBGE CS(=O)(=O)C[C@H]1CCCCN1C(=O)C1CC(B(O)O)C1 2282486125 WCQJVCIQBVQKNJ-VQXHTEKXSA-N 303.189 -0.335 50 10 DBGE O=S(=O)(NCCc1cccnc1)c1sccc1B(O)O 2282508649 ZHCTUCIFJIEGHO-UHFFFAOYSA-N 312.181 -0.656 50 10 DBGE CN(C)[C@@]1(C)CCN(S(=O)(=O)c2sccc2B(O)O)C1 2282699947 NHZCLQOXTYSGTO-NSHDSACASA-N 318.229 -0.857 50 10 DBGE Cc1cc(B(O)O)ccc1S(=O)(=O)N[C@H](C)C1CSC1 2282726795 DMWGWEFONGCLRM-SECBINFHSA-N 315.225 -0.295 50 10 DBGE Cc1cc(S(=O)(=O)N2CCCN[C@H](C)C2)sc1B(O)O 2282727575 ZXYFCLWDHZIRSB-SECBINFHSA-N 318.229 -0.891 50 10 DBGE C=CCOCCN(C)S(=O)(=O)c1cc(C)c(B(O)O)s1 2282728856 VYQRUHNNMWHTFY-UHFFFAOYSA-N 319.213 -0.441 50 10 DBGE C=C(CS(=O)(=O)N1C[C@@]2(F)CCC[C@]2(CO)C1)B(O)O 2282734082 GYDOLYSQFIRDEH-MNOVXSKESA-N 307.152 -0.929 50 10 DBGE CC[C@@H](O)CCNS(=O)(=O)c1ccc(B(O)O)c(C)c1 2282736314 OFQCACABMITVTG-SNVBAGLBSA-N 301.173 -0.886 50 10 DBGE O=C(N=c1c(Cl)c[nH]cc1Cl)c1nccnc1B(O)O 2283062588 OXBZVSJAEUCLRJ-UHFFFAOYSA-N 312.909 -0.468 50 10 DBGE O=C(N[C@@H](CO)CC(F)F)c1cccc(Cl)c1B(O)O 2283094907 ZPRCGWMLYSPITI-ZCFIWIBFSA-N 307.489 -0.234 50 10 DBGE CC(C)SC[C@H](NC(=O)c1sccc1B(O)O)C(=O)O 2284382988 VKPTWBFLGIZNNI-QMMMGPOBSA-N 317.197 -0.248 50 10 DBGE CCN(CCCC(=O)O)S(=O)(=O)c1sccc1B(O)O 2284406141 UOAAREGPZIXQJF-UHFFFAOYSA-N 321.185 -0.697 50 10 DBGE C[C@@H]1CN(C(=O)c2cc(B(O)O)c(F)cc2Cl)C[C@H]1N 2285967604 XBUDUMHBFOIZOQ-KSBSHMNSSA-N 300.526 -0.422 50 10 DBGE O=S1(=O)C[C@H](NS(=O)(=O)CCOCCF)[C@@H](Cl)C1 2317765553 UJZANWOBBPFKIZ-YUMQZZPRSA-N 323.795 -0.704 50 10 DBGE CC(C)S(=O)(=O)N(C)NC(=O)N1CC[C@@H](C(N)=S)C1 2339715146 DYHMQRDUXIOMPE-MRVPVSSYSA-N 308.429 -0.111 50 10 DBGE CN(NC(=O)[C@@]12CCOC[C@@H]1CNC2)S(=O)(=O)C1CC1 2365273325 KBTHIQRLNLEVIW-JOYOIKCWSA-N 303.384 -0.932 50 10 DBGE O=C(CCC(=O)NN/C=C1/C=CC=N1)NN/C=C1/C=CC=N1 137250537 LSUDSDISUIZMHH-HWAYABPNSA-N 300.322 -0.028 50 10 DBGE CC(CC(=O)Nc1ccc(C)cc1)=NNC(=O)C(=O)NCCO 254304089 WDJXUYLMOCSMTG-UHFFFAOYSA-N 320.349 -0.076 50 10 DBGE COc1cc(C=NNC(=O)Cc2nnc(O)nc2O)ccc1O 254840956 GMNWFXDTTWMPTF-UHFFFAOYSA-N 319.277 -0.310 50 10 DBGE O=C(C[C@H]1COc2ccccc2O1)NNC(=O)[C@@H]1COCCO1 294832832 DLQKONUGTAOLHY-GWCFXTLKSA-N 322.317 -0.221 50 10 DBGE CC(C)(C)[C@H](O)C[C@@H](CO)NC(=O)c1cccc(B(O)O)c1 584987038 FXGDSCQURMNLSA-QWHCGFSZSA-N 309.171 -0.746 50 10 DBGE CN(C)C[C@@H](Br)CN(C)C(=O)CS(C)(=O)=O 690184296 ZRGGTBUKJDGCIZ-MRVPVSSYSA-N 315.233 -0.186 50 10 DBGE CN(CCCNc1nc(N)nc(CCl)n1)S(C)(=O)=O 692474175 FENPXUVZDVJIOV-UHFFFAOYSA-N 308.795 -0.114 50 10 DBGE CC(C)[C@@H]1C[C@H](NC(=O)NNC(=O)[C@@H]2COCCO2)CCO1 772003507 LYTIUVGKYWUQPF-WOPDTQHZSA-N 315.370 -0.064 50 10 DBGE C[C@@H]1CCSCCN1C(=O)NNC(=O)[C@H]1COCCO1 791025982 LHJOYJBJUAKZNT-NXEZZACHSA-N 303.384 -0.030 50 10 DBGE COc1cccc(C[C@@H](O)C(=O)NNC(=O)[C@H]2CCCO2)c1 817214931 SXRWULHQFDSRIN-CHWSQXEVSA-N 308.334 -0.075 50 10 DBGE O=C(NNC(=O)C1(n2cnnn2)CC1)[C@H]1Cc2ccccc2O1 824888495 DXPQKVIOFNTDJM-LLVKDONJSA-N 314.305 -0.687 50 10 DBGE O=C(NCCOCC1CCCC1)NNC(=O)[C@@H]1COCCO1 836333197 CCYZNBHTZSVEON-LBPRGKRZSA-N 315.370 -0.061 50 10 DBGE O=C(Cn1cc([N+](=O)[O-])cn1)NNC(=O)[C@H]1C[C@H]2CC[C@H]1O2 846391053 AVEBSKHJRIHHJE-KXUCPTDWSA-N 309.282 -0.494 50 10 DBGE Cn1cc(C(=O)NNC(=O)c2cnc(OCC3CC3)cn2)nn1 855188008 XMKOEPSZJGSSIJ-UHFFFAOYSA-N 317.309 -0.531 50 10 DBGE Cc1nnc(NNC(=O)CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)n1C 856045624 DSPQPTFDBJNWPS-AOOOYVTPSA-N 318.337 -0.482 50 10 DBGE Cc1nnc(NNC(=O)CCCN2C(=O)NC(C)(C)C2=O)n1C 856051675 OSRCOEJRBIKWFO-UHFFFAOYSA-N 323.357 -0.323 50 10 DBGE CC(C)C[C@@H](CN(C)C)NC(=O)NNC(=O)[C@H]1CCC(=O)N1 858275095 LTEXETUJKMWLTE-WDEREUQCSA-N 313.402 -0.428 50 10 DBGE CC[C@H](NC(=O)NNC(=O)[C@@H]1CCC(=O)N1)[C@@H]1CCCCO1 858593472 CZPBMPTZLJHEFD-DCAQKATOSA-N 312.370 -0.057 50 10 DBGE C#C[C@H](NC(=O)c1cc(B(O)O)ccc1F)C1CCOCC1 863885375 IAMOHLSLQLTDGC-AWEZNQCLSA-N 305.114 -0.336 50 10 DBGE CN(C)CC(=O)NNC(=O)c1cn(C)nc1Br 896127762 ADWBWFLGKYSKSA-UHFFFAOYSA-N 304.148 -0.495 50 10 DBGE CN(C)CC(=O)NNC(=O)CC[C@@H]1CC[C@H](C2OCCO2)O1 896127845 CRFJDURTGNYJMG-WDEREUQCSA-N 315.370 -0.604 50 10 DBGE O=C(CN1CCCC1=O)NNC(=O)[C@H](CO)c1ccccc1 913733383 HGTIJXOYFRZTBE-GFCCVEGCSA-N 305.334 -0.468 50 10 DBGE O=C(N[C@@H]1CCCN2CCSC[C@H]12)c1ccc(B(O)O)cc1 928103479 XSPGDDCYCBPZAU-ZIAGYGMSSA-N 320.223 -0.324 50 10 DBGE CO[C@@H]1CC[C@H](NC(=O)NN[C@@]2(C)CCS(=O)(=O)C2)C1 1116732486 ISFCJJMXJJGGTQ-UMNHJUIQSA-N 305.400 -0.065 50 10 DBGE O=C(NNC(=O)C1(CF)CCC1)N[C@@H]1CCS(=O)(=O)C1 1118275876 BVLZHXJGAFCBAO-MRVPVSSYSA-N 307.347 -0.356 50 10 DBGE CC[C@H](NC(C)=O)C(=O)NNC(=O)Cc1cn2ccccc2n1 1126910897 ULALRUNKYFQIMF-LBPRGKRZSA-N 317.349 -0.061 50 10 DBGE CN(C)Cc1ccc(C(=O)NNC(=O)CN2CCCC2=O)o1 1171828800 SHMFXEYOSAKQTF-UHFFFAOYSA-N 308.338 -0.275 50 10 DBGE O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1cccc2nccn12 1290349098 MGUJKMIPHRMVCI-SECBINFHSA-N 322.346 -0.470 50 10 DBGE CC(C)(C)n1cc(C(=O)C(=O)NNC(=O)Cc2cc[nH]n2)cn1 1320394336 INNJWBXMWABKJK-UHFFFAOYSA-N 318.337 -0.066 50 10 DBGE CN(C)c1cccc(CNC(=O)NNC(=O)c2cn(C)nn2)n1 1350455514 PUWBDYBFCQCJOJ-UHFFFAOYSA-N 318.341 -0.580 50 10 DBGE C[C@H](NC(=O)NNC(=O)c1ccc(=O)n(C)c1)c1ncn(C)n1 1469800953 KSSUSYYBQWXIHN-QMMMGPOBSA-N 319.325 -0.781 50 10 DBGE CO[C@@H]1C[C@H]1C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 1539619364 VLYGCTUPZCTIPQ-GHMZBOCLSA-N 302.294 -0.542 50 10 DBGE C[C@H](CCN(C)C)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 1540476017 CSHJAKDWCLGZHE-NXEZZACHSA-N 305.400 -0.844 50 10 DBGE CCCNC(=O)NNC(=O)c1nc2ncc(CCO)cn2n1 1542404491 KHFRVMGXYZCNHN-UHFFFAOYSA-N 307.314 -0.987 50 10 DBGE O=C(NNC(=O)[C@@H]1COCCN1CC(F)F)c1ccnnc1 1557069521 PMDLOBCMAKBNEH-VIFPVBQESA-N 315.280 -0.797 50 10 DBGE C[C@@H](CO)N(C)NC(=O)CCn1c(=O)nc(O)c2ccccc21 1557202257 KDRVGJCIPDKIEN-JTQLQIEISA-N 320.349 -0.164 50 10 DBGE Cn1nc(C2CC2)nc1CC(=O)NNC(=O)c1cccnn1 1596613575 XDLYKQUGCDODFE-UHFFFAOYSA-N 301.310 -0.514 50 10 DBGE C[C@@H](C(=O)NNc1ccn(C)n1)S(=O)(=O)C1CCOCC1 1611267316 ILJFDYGMALAQAG-VIFPVBQESA-N 316.383 -0.155 50 10 DBGE Cc1cc(CCC(=O)NNC(=O)CNC(=O)c2ccco2)n[nH]1 1626422798 RADGPYSYFMLZAN-UHFFFAOYSA-N 319.321 -0.179 50 10 DBGE Cc1n[nH]cc1C(=O)NNC(=O)CONC(=O)OC(C)(C)C 1628409131 HCVRMGJMCNXYSN-UHFFFAOYSA-N 313.314 -0.065 50 10 DBGE CN(NC(=O)[C@H](O)[C@](O)(c1ccccc1)C(F)(F)F)C(N)=O 1630877790 GASXUAMAOCZBPK-GZMMTYOYSA-N 321.255 -0.161 50 10 DBGE COc1nccnc1NNC(=O)[C@H](NC(=O)C1CC1)[C@@H](C)O 1642920114 PGWRPXFYCVAXHZ-VXNVDRBHSA-N 309.326 -0.796 50 10 DBGE O=C(CSc1n[nH]c(O)n1)NNC(=O)Cc1ccccc1O 1647861881 PORNFWVYTBCMPS-UHFFFAOYSA-N 323.334 -0.302 50 10 DBGE COC(=O)N(C)NC(=O)NCc1cn(C(C)C)c(=O)nc1O 1687882910 VGYNWDNVQZGXOI-UHFFFAOYSA-N 313.314 -0.058 50 10 DBGE O=S(=O)(c1n[nH]cc1CCl)N1CCO[C@@H]2COC[C@H]21 1877645440 ZINLIKACDVTMHM-RKDXNWHRSA-N 307.759 -0.063 50 10 DBGE CCOC1CN(CC(=O)N[C@@H]2CS(=O)(=O)C[C@H]2Cl)C1 1884244251 IWANUPCIHIJFBA-NXEZZACHSA-N 310.803 -0.772 50 10 DBGE C[C@@H](OCc1ccccc1)[C@H](N)C(=O)NN(C)S(C)(=O)=O 1888599066 QQHOSLJMMGDRHY-PWSUYJOCSA-N 315.395 -0.158 50 10 DBGE O=S(=O)(C[C@H](O)[C@@H]1C[C@H]1Br)N1CCOCC1 1897126828 XYAFPRUSHICYIK-HLTSFMKQSA-N 314.201 -0.207 50 10 DBGE Cn1cc(C(=O)N2CC[C@@H](B(O)O)C2)c(Br)n1 1967587322 OVZRWGHZLZNRFJ-ZCFIWIBFSA-N 301.937 -0.129 50 10 DBGE O=C(N[C@H](CB(O)O)C(=O)O)c1ncccc1Br 2042869740 YVZRTVKUYVLWPW-ZCFIWIBFSA-N 316.904 -0.500 50 10 DBGE COc1ccc(I)c(B(O)O)c1[N+](=O)[O-] 2060112458 OCKOQQUTZLGALM-UHFFFAOYSA-N 322.851 -0.112 50 10 DBGE O=Cc1c(I)ccc(B(O)O)c1[N+](=O)[O-] 2060258413 AGJQASVMOSOHRQ-UHFFFAOYSA-N 320.835 -0.308 50 10 DBGE CCN(CC(=O)N[C@@H]1CS(=O)(=O)C[C@H]1Cl)C[C@@H](C)N 2102858566 QGKGQMYJKLKJSO-OPRDCNLKSA-N 311.835 -0.824 50 10 DBGE NNC(=O)[C@@H]1CC[C@@H](CN2[C@H]3CC[C@@H](C3)CS2(=O)=O)O1 2144753901 XOGCWULPHONGIG-NAKRPEOUSA-N 303.384 -0.662 50 10 DBGE O=S1(=O)CCCCCN1Cc1ccc(F)c(B(O)O)c1 2154849737 KFKVHFMZLNWZAH-UHFFFAOYSA-N 301.148 -0.179 50 10 DBGE Cn1cc([S@@](C)(=O)=NCc2nsc(C(=O)NN)n2)cn1 2161187609 RQUGFGBHWISCPV-HXUWFJFHSA-N 315.384 -0.468 50 10 DBGE C[S@](=O)CC1(C)CN(CC23CC(C(=O)NN)(CO2)C3)C1 2202673726 OWZLUUMXPAQQND-BTYVIFEQSA-N 301.412 -0.774 50 10 DBGE CC[C@@H](CN)COc1ncc(Br)cc1B(O)O 2217172584 KQMYVDDNWQKNGH-ZETCQYMHSA-N 302.965 -0.112 50 10 DBGE Cc1sc(CNS(=O)(=O)NC(C)C)c(B(O)O)c1C 2229411679 LYDCEPASBYQCRD-UHFFFAOYSA-N 306.218 -0.623 50 10 DBGE CC(C)(C)OC(=O)N(CC(=O)NCB(O)O)[C@H]1CCOC1 2242092797 UNSUHLKXUFBGTL-VIFPVBQESA-N 302.136 -0.859 50 10 DBGE O=C(C#CB(O)O)N1C[C@H]2CCN(Cc3ccccc3)C[C@@H]2C1 2243362964 ZBHKMZRPOLCUNH-HZPDHXFCSA-N 312.178 -0.018 50 10 DBGE CC(C)(O)CN(Cc1ccccc1)C(=O)c1n[nH]cc1B(O)O 2243374166 YTECNCGMCQZHKS-UHFFFAOYSA-N 317.154 -0.497 50 10 DBGE 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CC(C)S(=O)(=O)N(C)NC(=O)N1CC([C@H](C)C(=O)O)C1 2365326568 YBHUHODZQSWWSK-QMMMGPOBSA-N 307.372 -0.067 50 10 DBGE C[C@H](CBr)CNS(=O)(=O)CS(C)(=O)=O 167629723 OWOCTZKHXILKFU-ZCFIWIBFSA-N 308.219 -0.061 50 10 DBGE CCOC(=O)c1nccc(CNC(=O)OC(C)(C)C)c1B(O)O 382061772 PTWJJROIXXWXKG-UHFFFAOYSA-N 324.142 -0.037 50 10 DBGE COC[C@@H](C)S(=O)(=O)Nc1ccc(Cl)c(B(O)O)c1 404890683 PMFSBYBXEXIDKQ-SSDOTTSWSA-N 307.564 -0.204 50 10 DBGE CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)NNC(=O)c1cnn[nH]1 495503787 QMZONLLBAJACLN-MRVPVSSYSA-N 310.314 -0.425 50 10 DBGE CC(=O)NNC(=O)COC(=O)c1ccc(-n2cnnn2)c(C)c1 586322851 GNCNUDCGTBQSNB-UHFFFAOYSA-N 318.293 -0.705 50 10 DBGE CS(=O)(=O)CCS(=O)(=O)N[C@H]1CCOC[C@H]1Cl 706717637 IXIUBCLZOYBTAZ-SFYZADRCSA-N 305.805 -0.653 50 10 DBGE O=C(O)/C=C\c1cccc2c(B(O)O)c([C@@H](O)C(=O)O)sc12 725443022 TVTLJXOQRUTWBC-UMCURTJPSA-N 322.103 -0.203 50 10 DBGE O=C(NNC(=O)[C@H]1CCCc2n[nH]cc21)C(=O)N1CCCC1 758199431 AJLVFXRFFZSAAI-VIFPVBQESA-N 305.338 -0.401 50 10 DBGE O=C(NNC(=O)[C@@H]1COCCO1)N[C@@H]1CCC[C@@H]2OCC[C@H]21 760909125 GZYXRBVWCGUNRZ-USZNOCQGSA-N 313.354 -0.310 50 10 DBGE Cc1cccc(C(=O)NNC(=O)CN2CC(=O)N(C)[C@@H](C)C2)c1 800481139 WXQLFQCFCKPVLT-LBPRGKRZSA-N 318.377 -0.081 50 10 DBGE O=C(NNC(=O)[C@H]1CCc2nncn2C1)c1ccc(F)cn1 816872137 CDJLLKHOPKNFHX-QMMMGPOBSA-N 304.285 -0.164 50 10 DBGE CO[C@@](C)(C(=O)NNC(=O)[C@H]1CCc2nncn2C1)C1CC1 816872488 KUZGXPCAIYWTBX-LKFCYVNXSA-N 307.354 -0.197 50 10 DBGE CC[C@@H](C)C(=O)NNC(=O)Nc1ccc(=O)n(CC(N)=O)c1 844769068 PBKDTEHMZFSMNK-MRVPVSSYSA-N 309.326 -0.468 50 10 DBGE O=C(NNC(=O)[C@@H]1COCCO1)N[C@H]1CNc2ccccc2C1 846195130 XHFKBJOACXDKMS-YPMHNXCESA-N 320.349 -0.231 50 10 DBGE CO[C@H](C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1)C1CCC1 854294780 LCUAHONWRSIBGR-ZJUUUORDSA-N 304.368 -0.616 50 10 DBGE O=C(CN1CCC[C@H]1c1ccc(O)nn1)NNC(=O)C1CC1 859889607 LGKJOZQHDXJQAB-NSHDSACASA-N 305.338 -0.124 50 10 DBGE CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NN(C)C[C@@H](C)O 910173002 IOEREXWYAALAMF-GHMZBOCLSA-N 307.416 -0.466 50 10 DBGE COc1ccc(CCC(=O)NNC(=O)Cn2nnc(N)n2)cc1 1160502551 KYHXYXAAYHLJNO-UHFFFAOYSA-N 319.325 -0.956 50 10 DBGE Cn1cnnc1COCC(=O)NNC(=S)Nc1ccccn1 1303287964 UXEDJLOKCCMSHX-UHFFFAOYSA-N 321.366 -0.256 50 10 DBGE C[C@@]1(NNC(=O)N[C@@H]2CC[C@H](C(N)=O)C2)CCS(=O)(=O)C1 1312850563 OYWMQTDCPBVGGT-YGOYTEALSA-N 318.399 -0.979 50 10 DBGE O=C(NC[C@@H]1CCS(=O)(=O)C1)NNC(=O)[C@H]1CCCS1 1326665125 MWZPTGZPZBAVNR-DTWKUNHWSA-N 321.424 -0.353 50 10 DBGE O=C(Cc1ccsc1)NNC(=O)c1cnn(C[C@@H](O)CO)c1 1328335525 QCAYDSWVRYHSGA-LLVKDONJSA-N 324.362 -0.699 50 10 DBGE CN(C)N(C(=O)c1cccc(=O)n1C)[C@@H]1CCS(=O)(=O)C1 1350717065 XYNAHPJVXQCUOB-SNVBAGLBSA-N 313.379 -0.509 50 10 DBGE CCCCS(=O)(=O)CC(=O)NNC(=O)c1cnsn1 1534598844 PEADCBMMMOULQW-UHFFFAOYSA-N 306.369 -0.486 50 10 DBGE O=C(CC1COC1)NNC(=O)c1ccc(-n2cnnn2)cc1 1540515197 WJJVPUWJFMMQPS-UHFFFAOYSA-N 302.294 -0.540 50 10 DBGE CCN(CCO)NC(=O)C[C@@H](O)CNC(=O)OC(C)(C)C 1557201038 RMQIWBKQTVNCQM-SNVBAGLBSA-N 305.375 -0.393 50 10 DBGE Cc1ccc(C(=O)NNC(=O)CN2CCCCC(=O)C2=O)o1 1587319959 JOUXBJKCDYYNLX-UHFFFAOYSA-N 307.306 -0.069 50 10 DBGE CO[C@@]1(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)CCSC1 1623509944 OCYBVUCCBWEAPG-KCJUWKMLSA-N 322.408 -0.909 50 10 DBGE O=C(NNC(=O)c1cccc2nc(CO)[nH]c12)c1ccnnc1 1630214515 DAQRBDXISAXJHS-UHFFFAOYSA-N 312.289 -0.080 50 10 DBGE COC(=O)C(=O)NNC(=O)NC[C@]1(OC(C)C)CCOC1 1638599303 JGOOVBKHJIHYKA-GFCCVEGCSA-N 303.315 -0.926 50 10 DBGE CCC[C@H](C)C(=O)NCCNC(=O)NNC(=O)c1cccnn1 1672957644 QDVDJRQYUUFCTH-JTQLQIEISA-N 322.369 -0.027 50 10 DBGE CC[C@@H](CNS(C)(=O)=O)NC(=O)NNc1ncccn1 1682655296 QQGMNXFIQVLBDY-QMMMGPOBSA-N 302.360 -0.570 50 10 DBGE O=C(NCC1CC2(C1)OCCO2)NNC(=O)c1cnsn1 1685152442 GPBXZJMTXBLBCP-UHFFFAOYSA-N 313.339 -0.365 50 10 DBGE CC(C)(C)OC(=O)NC[C@H]1[C@H](C(=O)NCB(O)O)C1(F)F 1885563544 WBBTZEGYVOXWDO-NKWVEPMBSA-N 308.090 -0.479 50 10 DBGE NNC(=O)c1cn(CCN(CCCO)Cc2ccccc2)nn1 1914620304 LKDPVKSRTBZUHB-UHFFFAOYSA-N 318.381 -0.234 50 10 DBGE CS(=O)(=O)C1(C(=O)N[C@H]2COC[C@@H]2Br)CC1 1979977239 PZTWZEBQUAKXKV-BQBZGAKWSA-N 312.185 -0.158 50 10 DBGE O=S(=O)(CCC(CCl)CCl)N1C[C@H](O)[C@@H](O)C1 1998048030 RVAISSAENHMRRS-IUCAKERBSA-N 306.211 -0.163 50 10 DBGE O=C1CCN(C(=O)[C@@H]2C[C@@H]2Br)CCNCCN1 2020141380 NMYPJEQEBNGGDH-BDAKNGLRSA-N 304.188 -0.292 50 10 DBGE O=C(CCn1cnnn1)N1CCOC[C@H](CBr)C1 2036920751 AEBBTHFAOSQXKX-SECBINFHSA-N 318.175 -0.067 50 10 DBGE O=C(N[C@@H]1C[C@H](O)[C@@H](O)[C@H]1O)N1CCC(Br)CC1 2046515641 YLJUYAXOKRDPNB-XFWSIPNHSA-N 323.187 -0.590 50 10 DBGE CO[C@H]1CN(S(=O)(=O)CCOCCCl)C[C@@H]1OC 2072133990 HLTFDVCJRJZWEO-UWVGGRQHSA-N 301.792 -0.083 50 10 DBGE O=S(=O)(CCOCCCl)N1C[C@@H](CO)C[C@@H]1CO 2072247052 PBXYCIZQXBQYLP-VHSXEESVSA-N 301.792 -0.753 50 10 DBGE N=c1nc(CCl)[nH]c(=NC[C@H]2CCCS(=O)(=O)C2)[nH]1 2089883300 GERVDQSUDHCUTR-SSDOTTSWSA-N 305.791 -0.318 50 10 DBGE CC1(C)CCN(S(=O)(=O)CS(C)(=O)=O)C[C@@H]1N=C=O 2092261372 PCBJPZLQQGFDMM-VIFPVBQESA-N 310.397 -0.245 50 10 DBGE Cc1sc(C(=O)NN)cc1CN1CC(S(C)(=O)=O)C1 2095962280 CERYGVZNBGKYQP-UHFFFAOYSA-N 303.409 -0.111 50 10 DBGE 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C[C@@]1(CO)CCN(c2ncc(Br)cc2B(O)O)C1 2223677033 JDAIGCYHSOFOAZ-LLVKDONJSA-N 314.976 -0.267 50 10 DBGE CN(Cc1nscc1B(O)O)C[C@@]1(C)CSCCO1 2227243097 NZFJQBWWYRKMIR-NSHDSACASA-N 302.230 -0.223 50 10 DBGE CCN(Cc1cscc1B(O)O)[C@H]1CCS(=O)(=O)C1 2227246155 SVKUDLJTCOFSOD-JTQLQIEISA-N 303.214 -0.563 50 10 DBGE CO[C@H]1CC(N(C)Cc2nscc2B(O)O)C[C@@H]1OC 2235499247 AGOIVOOAAWXICC-RYUDHWBXSA-N 300.189 -0.553 50 10 DBGE CC(C)(C)OC(=O)N1CCCN1C(=O)c1ccc(B(O)O)cn1 2243376387 JJTIAANZYRDVPP-UHFFFAOYSA-N 321.142 -0.241 50 10 DBGE CC(C)(C)OC(=O)N1CC[C@@H]2CN(C(=O)C#CB(O)O)CC[C@H]21 2243400216 XMKNEEXRWAJJAE-VXGBXAGGSA-N 322.170 -0.140 50 10 DBGE O=C(c1nccnc1B(O)O)N1CC(OCc2ccccc2)C1 2243490784 SQOSNWCHLBFBNL-UHFFFAOYSA-N 313.122 -0.802 50 10 DBGE C=C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccnc(B(O)O)c1 2243702915 UAJOPMRZGHMHGB-JTQLQIEISA-N 321.142 -0.221 50 10 DBGE O=C1C[C@@H](NS(=O)(=O)N2CC(Cl)C2)CN1CC1CC1 2265391816 JLWRKFGTQDFKTG-SNVBAGLBSA-N 307.803 -0.245 50 10 DBGE CN(CC[S@@](C)=O)C(=O)c1c(Cl)cccc1B(O)O 2266890858 ZJOVARCXTJVRJW-LJQANCHMSA-N 303.576 -0.530 50 10 DBGE CC(C)(O)CCCNS(=O)(=O)c1cc(B(O)O)cs1 2267208318 XNKPBQYJGDVIEU-UHFFFAOYSA-N 307.202 -0.743 50 10 DBGE CC1(C)CCC(=O)N1S(=O)(=O)c1cscc1B(O)O 2267384255 AUADLMBKTCIWGM-UHFFFAOYSA-N 303.170 -0.482 50 10 DBGE Cc1cc(S(=O)(=O)N2CC[C@H]2C(F)F)sc1B(O)O 2267384537 MNRAPMIQIMJOPM-LURJTMIESA-N 311.140 -0.236 50 10 DBGE CC(C)C[C@@H](CO)NS(=O)(=O)c1cscc1B(O)O 2267385182 IRTRZIHUAONFNN-QMMMGPOBSA-N 307.202 -0.887 50 10 DBGE C=C(CS(=O)(=O)N(CCCN)CC(F)(F)F)B(O)O 2267387760 NLMVMADAAULMHA-UHFFFAOYSA-N 304.099 -0.903 50 10 DBGE O=C(N=S1(=O)CCOCC1)c1cc(B(O)O)c(Cl)s1 2267433068 NJUVKAUBHXKKDZ-UHFFFAOYSA-N 323.588 -0.280 50 10 DBGE CC[S@@](=O)CCNC(=O)c1sc(C)c(C)c1B(O)O 2267447493 JZWKRSCMSMTALG-LJQANCHMSA-N 303.214 -0.457 50 10 DBGE O=S(=O)(N[C@H]1CCSC1)c1ccc(B(O)O)c(F)c1 2267617062 DUSBLCKWVCQQGC-ZETCQYMHSA-N 305.161 -0.711 50 10 DBGE CCc1nc(C(=O)N[C@@H](C)CC(C)(C)O)c(B(O)O)s1 2281629791 HBWUMKDRCDLYBN-ZETCQYMHSA-N 300.189 -0.335 50 10 DBGE 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O=C1NC[C@@H](CNc2ncc(Br)cc2B(O)O)O1 2223674360 KMGCKFZDAMBIFE-ZCFIWIBFSA-N 315.920 -0.956 50 10 DBGE O=S(=O)(N1CCC(Cl)CC1)N1[C@H]2CC[C@H]1[C@H](O)[C@@H](O)C2 2240601589 MDUXWBRHNQNNJR-BJDJZHNGSA-N 324.830 -0.107 50 10 DBGE CC(C)OCCS(=O)(=O)Nc1nc(B(O)O)ccc1Cl 2241210759 ZQWSRXUIEXKNRJ-UHFFFAOYSA-N 322.579 -0.419 50 10 DBGE C=C(CS(=O)(=O)N(CCCN)Cc1ccccc1)B(O)O 2241479885 BXAFZRQBEOVQQQ-UHFFFAOYSA-N 312.200 -0.265 50 10 DBGE O=C(N1CCC[C@H](CNC(=O)C2(B(O)O)CC2)C1)C(F)(F)F 2243409665 MOQWCBDANIMJND-MRVPVSSYSA-N 322.092 -0.090 50 10 DBGE CC(=O)NNC(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2243422245 YYRQGAWCMYHTNA-UHFFFAOYSA-N 308.147 -0.500 50 10 DBGE O=C(CS[C@@H]1CC[C@@H]1O)N[C@@H]1CS(=O)(=O)C[C@H]1Cl 2263408935 NJAWSWPTCWQTPT-LURQLKTLSA-N 313.828 -0.237 50 10 DBGE CN1CC[C@H]2OCCN(S(=O)(=O)N3CC(Cl)C3)[C@@H]2C1 2265286733 LRARWXIQCDLAHL-GHMZBOCLSA-N 309.819 -0.441 50 10 DBGE Cn1ncc(B(O)O)c1C(=O)NCc1ncc(Cl)s1 2266899446 NUJJZKZTUFPZEX-UHFFFAOYSA-N 300.536 -0.860 50 10 DBGE Cn1cc(B(O)O)cc1C(=O)N1CCCC[C@@H]1C1OCCO1 2267301497 VMLZVKUUCPBFEF-LLVKDONJSA-N 308.143 -0.928 50 10 DBGE CC1(CCNC(=O)c2cc(B(O)O)cn2C2CC2)OCCO1 2267358932 INGYYSQQBPFQHG-UHFFFAOYSA-N 308.143 -0.614 50 10 DBGE CC[C@H](CNS(=O)(=O)c1cscc1B(O)O)N(C)C 2267386127 QIWIQXDIPZWRGR-MRVPVSSYSA-N 306.218 -0.954 50 10 DBGE C[C@H]1CC[C@H](NS(=O)(=O)c2cscc2B(O)O)CS1 2267386217 YPSUUZFLOMPPPC-YUMQZZPRSA-N 321.254 -0.010 50 10 DBGE CC[C@H](O)[C@H](C)NS(=O)(=O)c1cc(B(O)O)sc1C 2267389381 NOSMQPXOBKWBEM-XPUUQOCRSA-N 307.202 -0.826 50 10 DBGE CC[C@@H]1CCCN1S(=O)(=O)Cc1ncsc1B(O)O 2267391810 SCFJDUHFHLJYIU-MRVPVSSYSA-N 304.202 -0.473 50 10 DBGE CSC[C@H](C)NS(=O)(=O)c1ccc(B(O)O)c(C)c1 2267392545 LYMATKUSSDTTHX-VIFPVBQESA-N 303.214 -0.295 50 10 DBGE O=C(c1scc(B(O)O)c1Cl)N1CCNCC12CC2 2267445363 CRECSISOCWLDNI-UHFFFAOYSA-N 300.576 -0.341 50 10 DBGE O=S(=O)(NC1(CCO)CCC1)c1sccc1B(O)O 2267607724 PZFQRUYTOFICSM-UHFFFAOYSA-N 305.186 -0.989 50 10 DBGE O=S(=O)(NCCc1cscn1)c1cc(B(O)O)cs1 2267610329 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CN(NC(=O)N1C[C@@H]2CCC[C@@]2(C(=O)O)C1)S(C)(=O)=O 2365305214 VSOCSLLYLRYYKS-GZMMTYOYSA-N 305.356 -0.311 50 10 DBGE CCCS(=O)(=O)N(C)NC(=O)[C@@H](N)Cc1cccnc1 2365340520 ZWGHHFAGADGSJS-NSHDSACASA-N 300.384 -0.346 50 10 DBGE Cn1nc(C(=O)N2CC[C@H](SC(F)F)C2)cc1B(O)O 2365645419 NTFQGGTYRWKPMO-LURJTMIESA-N 305.115 -0.730 50 10 DBGE COC(=O)[C@@H](Br)CSc1nc(=O)c(=O)[nH]n1C 234615846 BKCRJQHQLMENLC-BYPYZUCNSA-N 324.156 -0.503 50 10 DBGE CCNC(=O)CN(CC)C(=O)NNC(=O)Cc1ccccn1 264054636 CEWCRHWKSOUUTB-UHFFFAOYSA-N 307.354 -0.177 50 10 DBGE O=C(COc1ccccc1O)NNC(=O)[C@H]1CSC(=O)N1 266874539 YKMFXVYKADTFEH-SSDOTTSWSA-N 311.319 -0.257 50 10 DBGE CCc1ccccc1S(=O)(=O)NNC(=O)[C@H]1COCCO1 275006404 LTHSIPFLNHWRSX-LLVKDONJSA-N 314.363 -0.026 50 10 DBGE CN(C[C@@H](O)CBr)[C@@H]1CCN(S(C)(=O)=O)C1 309427091 IURVQGZEDIEJNJ-BDAKNGLRSA-N 315.233 -0.292 50 10 DBGE NS(=O)(=O)C1(CNS(=O)(=O)CBr)CC1 714038571 BIGJVLHXQNVCCU-UHFFFAOYSA-N 307.191 -0.921 50 10 DBGE COCCN(Cc1nsc(C(=O)NN)n1)[C@H](C)COC 724346114 ZZVBCTVDFDMVET-MRVPVSSYSA-N 303.388 -0.375 50 10 DBGE C[C@H](NC(=O)C(C)(C)C)C(=O)NNC(=O)[C@@H]1COCCO1 744648744 ZKGAFTUAGQMKBO-IUCAKERBSA-N 301.343 -0.900 50 10 DBGE CCS(=O)(=O)NCC(=O)NNC(=O)c1ncccc1C 759678888 ZDIIUIIQNMGGPV-UHFFFAOYSA-N 300.340 -0.910 50 10 DBGE CCCC[C@@H](NC(=O)NCC)C(=O)NNC(=O)C(C)(C)O 768244223 JHSKTBITZLNNHV-SECBINFHSA-N 302.375 -0.217 50 10 DBGE COc1cccc(NNC(=O)CN2C(=O)NC(=O)C2(C)C)n1 781027103 GQGVNSUGCSDLQF-UHFFFAOYSA-N 307.310 -0.136 50 10 DBGE COc1nccnc1C=NNC(=O)CNC(=O)c1cccnc1 793027080 UAMOQJCBYWQCFN-UHFFFAOYSA-N 314.305 -0.240 50 10 DBGE CC(C)CCC(=O)NNC(=O)N1CC[C@H](S(N)(=O)=O)C1 799914959 GPOGCSRQRGPZQO-VIFPVBQESA-N 306.388 -0.474 50 10 DBGE O=C1C[C@H](C(=O)NNC(=O)c2cnn[nH]2)[C@H]2CCCC[C@@H]2N1 826584902 WWZZOIXGHMNORG-VGMNWLOBSA-N 306.326 -0.739 50 10 DBGE O=C(NNC(=O)[C@H]1COCCO1)[C@H]1COc2cc(F)ccc2C1 859768293 LZDUFHCELYWWRJ-ZWNOBZJWSA-N 324.308 -0.060 50 10 DBGE O=C1CC[C@@H](C(=O)NNC(=O)c2ncnc3sccc23)N1 862463867 NWVKDDMMEMGRKS-ZETCQYMHSA-N 305.319 -0.269 50 10 DBGE CCOC(=O)C1(C(=O)NNC(=O)c2cn[nH]c2)CCOCC1 862469872 DEUPXPCFXBRXNN-UHFFFAOYSA-N 310.310 -0.469 50 10 DBGE O=C(NNC(=O)[C@@H]1CCCN(CC(F)F)C1)[C@@H]1COCCO1 866255576 XURNBTMZSQGAQP-ZJUUUORDSA-N 321.324 -0.474 50 10 DBGE CC(=O)N1CSC[C@@H]1C(=O)NNC(=O)C1CCOCC1 883062117 QZOUSQOOLJSGOW-SNVBAGLBSA-N 301.368 -0.518 50 10 DBGE CN(C)c1nccc(NNC(=O)C2CN([C@H]3CCOC3)C2)n1 896507740 AEIMASGDRZKTDR-NSHDSACASA-N 306.370 -0.294 50 10 DBGE C[C@]1(C(=O)NNC(=O)[C@@H]2COCCO2)C[C@@H]1Br 906866815 JYHHPBDDYVQVQQ-BYULHYEWSA-N 307.144 -0.277 50 10 DBGE CC(C)O[C@]1(CNC(=O)c2cccc(B(O)O)c2)CCOC1 928752724 VWRUUEPVGSFTKV-HNNXBMFYSA-N 307.155 -0.320 50 10 DBGE C[C@]1(CC(=O)NNC(=O)c2ccccn2)CCS(=O)(=O)N1 1135619153 NCUYETOQAYUMIV-GFCCVEGCSA-N 312.351 -0.686 50 10 DBGE C=C(C)[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 1135991076 YKDRKUCCSWGBMQ-VWYCJHECSA-N 316.379 -0.450 50 10 DBGE O=C(NCc1ncn(-c2ccccc2)n1)c1cccc(B(O)O)c1 1141459586 PNKIAFDPCTWDNE-UHFFFAOYSA-N 322.133 -0.123 50 10 DBGE CC[C@H]1CN([C@H](CC)C(=O)NNC(=O)c2cnn[nH]2)CCO1 1144480088 HUUQJZBUCDNXOV-GXSJLCMTSA-N 310.358 -0.545 50 10 DBGE CS(=O)(=O)SCCNC(=O)[C@H]1CCCCS1(=O)=O 1152960516 MSZMIJFXAJCTIK-MRVPVSSYSA-N 315.438 -0.237 50 10 DBGE Cc1nc(O)nc(O)c1CC(=O)NNc1nc2ccccn2n1 1154239502 TXASNZASMWVCPA-UHFFFAOYSA-N 315.293 -0.075 50 10 DBGE O=C(NNC(=O)C1CC2(C1)CS(=O)(=O)C2)c1ncccn1 1162185444 PBQMZSFJXOUCEA-UHFFFAOYSA-N 310.335 -0.938 50 10 DBGE Cn1cc(/C=C(\C#N)C(=O)NC[C@H]2CCN(C(N)=O)C2)cn1 1297594796 NXUFYYUJWXICIJ-SUWUYWEISA-N 302.338 -0.156 50 10 DBGE O=C(Cc1ncccc1F)NNC(=O)c1nc[nH]c2ncnc1-2 1303434737 VQMHFUSLKWLERW-UHFFFAOYSA-N 315.268 -0.158 50 10 DBGE CCOc1ccccc1OCC(=O)NNC(=O)c1nnn(C)n1 1348832833 ZIEICFMYHIVVQU-UHFFFAOYSA-N 320.309 -0.551 50 10 DBGE C[C@H](CS(C)(=O)=O)NC(=O)NNC(=O)[C@H]1C[C@H]2CC[C@H]1O2 1349523827 XPOAYMSRAHPHRF-DOLQZWNJSA-N 319.383 -0.683 50 10 DBGE O=C(CCc1nnc(C(F)F)o1)NNC(=O)c1cnn[nH]1 1464920951 RJCUAZWHUBTYSU-UHFFFAOYSA-N 301.213 -0.481 50 10 DBGE Cc1nn(C)c(C)c1C(=O)C(=O)NNC(=O)c1ccnnc1 1469115761 ADXVJQNKORQHPG-UHFFFAOYSA-N 302.294 -0.529 50 10 DBGE O=C(CS(=O)(=O)C1CCCC1)NNC(=O)c1ccnnc1 1469117498 RWXVSFBUNQWUAR-UHFFFAOYSA-N 312.351 -0.405 50 10 DBGE Cc1cc(=NNC(=O)NCCCN(C)S(C)(=O)=O)cc[nH]1 1470784074 MSFGYPQZHWKQSI-UHFFFAOYSA-N 315.399 -0.280 50 10 DBGE O=C(Nc1ccc(OCCO)cc1)c1cccc(B(O)O)c1 1566356407 DGRGZDGGLXIXRS-UHFFFAOYSA-N 301.107 -0.010 50 10 DBGE C[C@H]1CS(=O)(=O)CCN1C(=O)/C(C#N)=C\c1cnn(C)c1 1567622895 OWPIZTSMFDDLPS-IUIMMGEKSA-N 308.363 -0.027 50 10 DBGE COC(=O)c1sccc1C(=O)NNC(=O)[C@@H]1COCCO1 1587238459 SXJAHGKZMZQMDC-QMMMGPOBSA-N 314.319 -0.289 50 10 DBGE Cn1ccnc(NNC(=O)c2coc3c2C(=O)NCCC3)c1=O 1610995264 VOMQYBGTXANJHK-UHFFFAOYSA-N 317.305 -0.194 50 10 DBGE Cc1ccn2c(=O)c(C(=O)NNC(=O)c3ccnnc3)cnc2c1 1638269874 MRLRQFIJUCAPEI-UHFFFAOYSA-N 324.300 -0.132 50 10 DBGE O=C1CC[C@H](C(=O)NNC(=O)N[C@@H]2[C@@H]3C[C@@H]4[C@@H]2OC[C@@H]4C3)N1 1675198304 NWFFIQNBLLAWSJ-FNFJRLRISA-N 308.338 -0.981 50 10 DBGE Cc1cc(C)n(CC(=O)NNC(=O)NCC[C@@H]2CNC(=O)C2)n1 1675808086 JKJUZTKWZBCFDT-NSHDSACASA-N 322.369 -0.643 50 10 DBGE CC(=O)N1CCC(NC(=O)NNC(=O)Cc2cccnc2)CC1 1682360746 VBTSPKHGXBFVSU-UHFFFAOYSA-N 319.365 -0.035 50 10 DBGE O=C(O)[C@@H]1CS(=O)(=O)C[C@H]1C(=O)NCC1CC(Cl)C1 1888544035 NXMAXRQWMFWIFI-GEPGNKONSA-N 309.771 -0.135 50 10 DBGE CNC1CN(S(=O)(=O)NC[C@H]2C[C@H](Br)C2)C1 1991509559 ZMSHOHXLJUCZMW-ZKCHVHJHSA-N 312.233 -0.102 50 10 DBGE NC[C@@]1(CO)COCCN1C(=O)[C@H]1C[C@@H](Br)C1 2020167259 ONUNGKHWBISYNX-WCABBAIRSA-N 307.188 -0.292 50 10 DBGE CON(c1ncc(B(O)O)cc1Br)[C@H]1CCOC1 2052621637 JREPZILYHQCHCG-QMMMGPOBSA-N 316.948 -0.319 50 10 DBGE O=C1NC[C@H]2CN(C[C@H]3C[C@H](Br)C3)CCN2C1=O 2076225167 LYHMAVSWTWJUAB-GUBZILKMSA-N 316.199 -0.198 50 10 DBGE CS(=O)(=O)CC1CN(c2nc(CCCl)nc(=N)[nH]2)C1 2103208508 SKEHEVDHWUAEJU-UHFFFAOYSA-N 305.791 -0.454 50 10 DBGE CC(C)(C#N)CS(=O)(=O)NCc1cc(B(O)O)cs1 2110052763 KWQUSKNRAIFSTE-UHFFFAOYSA-N 302.186 -0.603 50 10 DBGE O=S1(=O)C[C@@H](Cl)[C@H](Nc2cc3nnc(O)n3cn2)C1 2121386334 SNDGOTXJRIJLRB-PHDIDXHHSA-N 303.731 -0.354 50 10 DBGE NNC(=O)c1sccc1CN1C[C@H]2CS(=O)(=O)C[C@@H]2C1 2144159587 PTTFFYFKTRHUIJ-UWVGGRQHSA-N 315.420 -0.172 50 10 DBGE Cc1csc(CN(C)C(=O)[C@@H](C)S(C)(=O)=O)c1B(O)O 2157043653 MNOCPGRYJWVPOU-MRVPVSSYSA-N 319.213 -0.872 50 10 DBGE O=S(=O)(C[C@H]1CC[C@@H](F)C1)Nc1ccc(B(O)O)cn1 2158591980 KIAFPGGHEHCPPF-WCBMZHEXSA-N 302.136 -0.359 50 10 DBGE CS(=O)(=O)C1(COc2ccc(B(O)O)c(F)c2)CCC1 2167830999 NYWHZUZUBPCUAY-UHFFFAOYSA-N 302.132 -0.148 50 10 DBGE CN(C[C@H]1CC[C@H](C(=O)NN)O1)C1(CO)CCSCC1 2171190772 RYYBNEZQJAVEKX-GHMZBOCLSA-N 303.428 -0.286 50 10 DBGE CN1CC[C@@](O)(CNS(=O)(=O)c2cn(C)nc2CCl)C1 2180006641 UYHSRSHLMXRSEO-LLVKDONJSA-N 322.818 -0.496 50 10 DBGE CO[C@]1(CO)CCN(S(=O)(=O)c2cn(C)nc2CCl)C1 2180008774 JKRNFJQWCHBJNP-LLVKDONJSA-N 323.802 -0.069 50 10 DBGE CO[C@@H]1C=CCN(CC(=O)N[C@H]2CS(=O)(=O)C[C@H]2Cl)C1 2195881326 XPZMEUPYHJUFMS-MXWKQRLJSA-N 322.814 -0.606 50 10 DBGE COC1CN(S(=O)(=O)N2CC[C@H](C)[C@H](N=C=O)[C@@H]2C)C1 2200701616 ZFLXUQZMWJHOKJ-NHCYSSNCSA-N 303.384 -0.004 50 10 DBGE OB(O)c1cc(Br)cnc1N1CC[C@H]2C[C@]2(O)C1 2223671681 PGCATIBJBBSRFQ-CPCISQLKSA-N 312.960 -0.515 50 10 DBGE OB(O)c1cc(Br)cnc1N(C1CC1)C1COC1 2223675422 WODXUKOJHPKFAU-UHFFFAOYSA-N 312.960 -0.109 50 10 DBGE O=S1(=O)CC[C@]2(CCCN2Cc2cc(B(O)O)cs2)C1 2235434743 CMSKCUVOAGWFMG-GFCCVEGCSA-N 315.225 -0.419 50 10 DBGE NNC(=O)[C@@H]1CC[C@H]1CN1CC(S(=O)(=O)C(F)(F)F)C1 2237664453 GEAHHGDUJFZAEC-POYBYMJQSA-N 315.317 -0.379 50 10 DBGE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H](C2)[C@H]1C(=O)NCC#CB(O)O 2243697654 KFWFCCZQAOZGKW-SRVKXCTJSA-N 322.170 -0.094 50 10 DBGE O=C(c1ncsc1B(O)O)N1CCCC[C@@H]1C1OCCO1 2255726923 IVJGLNYUCDHWGW-MRVPVSSYSA-N 312.156 -0.810 50 10 DBGE O=S(=O)(NCc1cccs1)c1sccc1B(O)O 2255882415 OAFFARBQKQPTJW-UHFFFAOYSA-N 303.195 -0.032 50 10 DBGE O=S(=O)(N[C@]1(CO)C[C@H](O)C12CCC2)N1CC(Cl)C1 2265283219 QTKNDEIUVDAVBC-ONGXEEELSA-N 310.803 -0.590 50 10 DBGE O=C1OCCN1CCCCNS(=O)(=O)N1CC(Cl)C1 2265377424 NITIGQSQFKBGMH-UHFFFAOYSA-N 311.791 -0.024 50 10 DBGE COC[C@H]1CC[C@@H]1NS(=O)(=O)c1sccc1B(O)O 2267202740 HKOWTKDAFUMSRZ-APPZFPTMSA-N 305.186 -0.869 50 10 DBGE C[C@H]1CSCCN1C(=O)c1ncc(B(O)O)cc1Cl 2267422041 QZFIUXBLEBWLIB-ZETCQYMHSA-N 300.576 -0.008 50 10 DBGE C[S@](=O)(=NC(=O)c1sncc1B(O)O)N1CCCC1 2267424724 FKBCDVRNYBSALF-IBGZPJMESA-N 303.174 -0.928 50 10 DBGE C[C@@H]1C[C@H]2CN(S(=O)(=O)c3ccc(B(O)O)s3)C[C@@H]12 2267464627 JCNYZFFAZNYVNT-VGMNWLOBSA-N 301.198 -0.296 50 10 DBGE COCCCCCNS(=O)(=O)c1sccc1B(O)O 2267476021 SGTXMQHANMWBMH-UHFFFAOYSA-N 307.202 -0.477 50 10 DBGE O=S(=O)(NC[C@H]1C[C@@H]1C1CC1)c1sccc1B(O)O 2267610262 YFGWIXZAXXLXLQ-RKDXNWHRSA-N 301.198 -0.248 50 10 DBGE CN(Cc1cnco1)S(=O)(=O)c1cscc1B(O)O 2267617832 RFHDIRWNFSRXAU-UHFFFAOYSA-N 302.142 -0.763 50 10 DBGE CCC/C=C/CNS(=O)(=O)Cc1ncsc1B(O)O 2267627475 ZLDWHSPCQGWVQP-SNAWJCMRSA-N 304.202 -0.401 50 10 DBGE C=CC[C@@H](NC(=O)c1scc(B(O)O)c1Cl)C(=O)O 2269016737 HNPVFVOKQBCAHA-ZCFIWIBFSA-N 303.532 -0.160 50 10 DBGE C=C(CS(=O)(=O)Nc1snc(C)c1C(=O)O)B(O)O 2269026991 SYVBOXBPNARZGS-UHFFFAOYSA-N 306.130 -0.540 50 10 DBGE O=C(c1csc(B(O)O)c1)N1CCC[C@@]12CC[S@](=O)C2 2281618450 JPRVDEDDPQQYSF-YUNKPMOVSA-N 313.209 -0.445 50 10 DBGE CN(C[C@@H](F)[C@H]1CCOC1)C(=O)c1ccsc1B(O)O 2281632954 XVYSQQJOOBCHOL-WCBMZHEXSA-N 301.148 -0.126 50 10 DBGE CO[C@@](C)(CO)CNC(=O)c1sc(C)c(B(O)O)c1C 2281862921 OCMXHYRWRNRLJT-GFCCVEGCSA-N 301.173 -0.828 50 10 DBGE Cc1csc(C(=O)NCCO[C@H]2CC2(F)F)c1B(O)O 2281883561 NESNAQDERWLRKE-ZETCQYMHSA-N 305.111 -0.110 50 10 DBGE CC(C)C[C@@H](NC(=O)c1cc(B(O)O)c(Cl)s1)C(N)=O 2281906382 NFTIJMGILYIPEY-SSDOTTSWSA-N 318.591 -0.289 50 10 DBGE O=C(N[C@@H]1CCOCCC1(F)F)c1cc(B(O)O)cs1 2281917738 JKVQUFODUOFHCX-SECBINFHSA-N 305.111 -0.028 50 10 DBGE Cn1ncc(CNC(=O)c2cc(B(O)O)c(Cl)s2)c1N 2281918180 PHKKMDPSCXQQMD-UHFFFAOYSA-N 314.563 -0.673 50 10 DBGE CS(=O)(=O)[C@@H]1CCC[C@@H]1NC(=O)c1cc(B(O)O)cs1 2281918840 WTTVOWBHBBVJMJ-WCBMZHEXSA-N 317.197 -0.877 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319.213 -0.466 50 10 DBGE CC[C@H](CN(C)S(=O)(=O)c1cc(B(O)O)sc1C)OC 2282365150 UZQSZGJCBBLFBY-SECBINFHSA-N 321.229 -0.218 50 10 DBGE Cc1sc(B(O)O)cc1S(=O)(=O)NCc1cccnn1 2282366919 VJZOWXPCBYXPAQ-UHFFFAOYSA-N 313.169 -0.995 50 10 DBGE C[C@@H]1CC[C@@H](NS(=O)(=O)c2ccc(B(O)O)cc2F)C1 2282369155 BXQOILZYTYQUQJ-PSASIEDQSA-N 301.148 -0.028 50 10 DBGE Cc1sc(B(O)O)cc1S(=O)(=O)N[C@@]1(C)CCO[C@H]1C 2282372358 XITBXLGIBKISGR-KWQFWETISA-N 319.213 -0.418 50 10 DBGE CN(c1ncccc1F)S(=O)(=O)c1cscc1B(O)O 2282372942 GFAXADVHXKSCDV-UHFFFAOYSA-N 316.144 -0.213 50 10 DBGE C=C(CS(=O)(=O)NCc1cc2c(ncn2C)s1)B(O)O 2282373814 RSIVKYARTIQHER-UHFFFAOYSA-N 315.185 -0.378 50 10 DBGE Cc1cc(S(=O)(=O)N[C@H]2CO[C@H]3C[C@@H]2C3)sc1B(O)O 2282375037 JSKXWEPBOLLRMO-YIZRAAEISA-N 317.197 -0.808 50 10 DBGE N=c1cc(CNC(=O)c2cc(B(O)O)c(Cl)s2)cc[nH]1 2282382263 IXKLPDAQWVYMOT-UHFFFAOYSA-N 311.559 -0.181 50 10 DBGE C[C@H](C[S@](C)=O)N(C)C(=O)c1ncc(B(O)O)cc1Cl 2282431516 ULHXENHRTUIDSG-GLEHDBDLSA-N 318.591 -0.746 50 10 DBGE Cc1csc(C(=O)NC[C@H]2CC(F)(F)CO2)c1B(O)O 2282445398 FVOWSHOBPRBBBS-SSDOTTSWSA-N 305.111 -0.110 50 10 DBGE CCc1nc(C(=O)NC(C)(C)C(=O)OC)c(B(O)O)s1 2282453772 KTJCEBWZYJTVBB-UHFFFAOYSA-N 300.145 -0.933 50 10 DBGE C[C@H]1CC[C@](CO)(NS(=O)(=O)c2sccc2B(O)O)C1 2282704244 IAFAFHMABXCUKY-KWQFWETISA-N 319.213 -0.743 50 10 DBGE O=S(=O)(NC[C@@H](F)[C@@H]1CCOC1)c1sccc1B(O)O 2282706317 KFGSEOZSEGQLAS-VXNVDRBHSA-N 323.176 -0.919 50 10 DBGE C[C@@H](CNS(=O)(=O)c1cccc(B(O)O)c1)C(F)(F)F 2282713377 DMZCQBMJFGKPBC-ZETCQYMHSA-N 311.090 -0.157 50 10 DBGE Cc1sc(B(O)O)cc1S(=O)(=O)N(C)C[C@@H]1C[C@@H]1CF 2282723827 SPQSBYVINXSSSE-BDAKNGLRSA-N 321.204 -0.038 50 10 DBGE CS[C@@H](C)CCNS(=O)(=O)c1ccc(F)cc1B(O)O 2282725454 BTDBMLIFECJXGO-QMMMGPOBSA-N 321.204 -0.075 50 10 DBGE Cc1sc(B(O)O)cc1S(=O)(=O)NC[C@H]1OCC[C@H]1C 2282725580 DNNHBYBPCQGIKQ-VXNVDRBHSA-N 319.213 -0.560 50 10 DBGE Cc1ccc(S(=O)(=O)N(C)C[C@H]2C[C@H]2F)c(B(O)O)c1 2282730127 XKFLTOCLKLODHH-MWLCHTKSSA-N 301.148 -0.347 50 10 DBGE CN([C@H]1CCOC1)S(=O)(=O)c1c(Cl)cccc1B(O)O 2282732779 LOTYHONJBCQHCL-QMMMGPOBSA-N 319.575 -0.571 50 10 DBGE CCC(O)(CC)CNS(=O)(=O)c1cc(B(O)O)sc1C 2282733557 XNHSBFDILRZZFL-UHFFFAOYSA-N 321.229 -0.434 50 10 DBGE Cc1sc(B(O)O)cc1S(=O)(=O)N[C@H]1CCC[C@@H]1CO 2282740630 CJMXJRZWWMWMJN-BDAKNGLRSA-N 319.213 -0.824 50 10 DBGE Cc1sc(B(O)O)c(C(=O)N2CC(F)(C(=O)O)C2)c1C 2284463630 YNNPIALUQAINQV-UHFFFAOYSA-N 301.104 -0.707 50 10 DBGE O=C(O)CCCONC(=O)c1ccc(B(O)O)cc1Cl 2284490400 LOHPEKPASBRBHJ-UHFFFAOYSA-N 301.491 -0.454 50 10 DBGE Cc1cc(CNS(=O)(=O)CC(F)(F)F)ccc1B(O)O 2289556336 CCTSEYZEGZQIIE-UHFFFAOYSA-N 311.090 -0.343 50 10 DBGE COC1(CNS(=O)(=O)c2cc(B(O)O)cs2)CC(C)C1 2290386415 WMQHJUUZJZXLGK-UHFFFAOYSA-N 319.213 -0.479 50 10 DBGE Cc1sncc1NS(=O)(=O)c1sccc1B(O)O 2318743402 PFQDMDBAQGJJGU-UHFFFAOYSA-N 304.183 -0.006 50 10 DBGE CN(NC(=O)[C@H]1CNC[C@H](P(C)(C)=O)C1)S(C)(=O)=O 2344086842 MSBCXGTTZHJOPM-RKDXNWHRSA-N 311.344 -0.490 50 10 DBGE CN(C(=O)c1c(B(O)O)ncn1C)C1CSCCSC1 2362357677 PWXVHMPOZUJFPY-UHFFFAOYSA-N 315.229 -0.980 50 10 DBGE CN(NC(=O)[C@@H]1C[C@@H]2NCCO[C@@H]2C1)S(=O)(=O)C1CC1 2365270089 CGYUJANWDXAIGX-DVVUODLYSA-N 303.384 -0.791 50 10 DBGE CCCS(=O)(=O)N(C)NC(=O)[C@@H]1CC[C@H]2CNC[C@@H]2O1 2365289985 KQWBDIGQNALQEZ-DCAQKATOSA-N 305.400 -0.544 50 10 DBGE O=C(c1ncccc1B(O)O)N1CC[C@H](SC(F)F)C1 2365635644 JAJMDPFAVIHBLC-ZETCQYMHSA-N 302.111 -0.068 50 10 DBGE O=C(c1ncc(B(O)O)cn1)N1CC[C@H](SC(F)F)C1 2365644943 JMDWJIYCHCFHJN-ZETCQYMHSA-N 303.099 -0.673 50 10 DBGE C=C(CS(=O)(=O)N(C)CC(C)(C)[C@H](O)C(C)C)B(O)O 2365898124 VUUIEEYNVADFIX-LLVKDONJSA-N 307.221 -0.141 50 10 DBGE C[C@H](CCCC(=O)NN)N1CC[C@H](S(=O)(=O)N(C)C)C1 2365996810 VEQAQTCUKYGZOU-MNOVXSKESA-N 306.432 -0.499 50 10 DBGE CC(C)[C@@H](CO)N(C)S(=O)(=O)c1ccccc1B(O)O 2367029224 AGHODQLCCZECGS-LLVKDONJSA-N 301.173 -0.996 50 10 DBGE COC(=O)[C@H](Br)CN(C)CCS(C)(=O)=O 88012490 XWWYPDYNMQMJHG-SSDOTTSWSA-N 302.190 -0.101 50 10 DBGE COC(=O)[C@H](NNC(=O)[C@H]1COCCO1)c1cccc(C#N)c1 267715342 UDIZSTPGTYVQLH-CHWSQXEVSA-N 319.317 -0.191 50 10 DBGE Cn1cc(/C=C/C(=O)NNC(=O)C2CCC2)c(=O)n(C)c1=O 491727528 CZJYBUBBOWPKRV-VOTSOKGWSA-N 306.322 -0.955 50 10 DBGE O=C1C[C@H]([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CN1 584968289 JZQGNECMLKLXAB-JSGCOSHPSA-N 316.166 -0.503 50 10 DBGE NC(=O)COc1ccc(C=NNC(=O)[C@H]2COCCO2)cc1 745206871 CYHFHXSWUPJIPJ-GFCCVEGCSA-N 307.306 -0.584 50 10 DBGE CCNC(=O)NNC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1cccnc1 746167111 OPZXXCFGLMONJN-PWSUYJOCSA-N 305.338 -0.049 50 10 DBGE C[C@@H](NS(C)(=O)=O)C(=O)NN=Cc1ccc2c[nH]nc2c1 755700224 WKYMBOKFEORPHR-MRVPVSSYSA-N 309.351 -0.049 50 10 DBGE C[C@@]1(C(=O)NNC(=O)N2CC(=O)N(CC3CC3)C2)CCCO1 836543523 VTTAAQIRDXZXAU-AWEZNQCLSA-N 310.354 -0.192 50 10 DBGE O=C(NCC(F)(F)F)NNC(=O)[C@]12C[C@H]3C[C@H](C(=O)N1)[C@H]2C3 846062838 OBEPXAICYSXNFJ-UEZPWLPBSA-N 320.271 -0.206 50 10 DBGE CC1CCN(S(=O)(=O)NNC(=O)c2cn(C)nn2)CC1 849309967 RIJHQWKHBPWROU-UHFFFAOYSA-N 302.360 -0.974 50 10 DBGE C[C@@H]1CC[C@H](C(=O)NNC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)O1 858571337 FCLWBCLFDNMBIV-DOLQZWNJSA-N 314.342 -0.660 50 10 DBGE O=C1CC[C@@H](C(=O)NNC(=O)N2CCc3ccnc(O)c3C2)N1 858699546 SLFMYFBZVQVSGB-JTQLQIEISA-N 319.321 -0.835 50 10 DBGE Cc1csc(C(=O)NNC(=O)[C@H]2CCN(C)S2(=O)=O)c1 862479757 AFRGULIOFRTLKZ-SECBINFHSA-N 317.392 -0.149 50 10 DBGE CCC(=O)NNC(=O)[C@@H](C)N1CCN(CCCCCO)CC1 931496305 LMHJPHMQNMEHOE-CYBMUJFWSA-N 314.430 -0.288 50 10 DBGE CC(=O)N1CCO[C@H](C(=O)NNC(=O)Cc2ccccc2F)C1 932379278 YBAHYNMFABPHBR-ZDUSSCGKSA-N 323.324 -0.237 50 10 DBGE Cn1cccc1C(=O)NNC(=O)c1ncccc1S(C)(=O)=O 1124563389 OYXPQMKERGFLDD-UHFFFAOYSA-N 322.346 -0.102 50 10 DBGE Cn1ccc(=O)c(C(=O)NNC(=O)CNC(=O)c2ccco2)c1 1125626408 KMPLFQDGUZAHOO-UHFFFAOYSA-N 318.289 -0.831 50 10 DBGE Cn1cc(C(=O)NNC(=O)c2c[nH]nc2-c2ccco2)nn1 1147207809 OZBFVFKNQGLIAS-UHFFFAOYSA-N 301.266 -0.127 50 10 DBGE Cc1nnc(NNC(=O)c2ncccc2S(C)(=O)=O)n1C 1148438704 IKLYYXBBKCCOQY-UHFFFAOYSA-N 310.339 -0.321 50 10 DBGE COc1ccccc1NCC(=O)NNC(=O)[C@H]1CCC(=O)O1 1160472166 SNCZOSGYETVJRY-LLVKDONJSA-N 307.306 -0.040 50 10 DBGE O=C(NNC(=O)N1CCOCC1)c1cnc(C2CC2)nc1O 1292273044 BPRGNOJNSHIRHV-UHFFFAOYSA-N 307.310 -0.254 50 10 DBGE Cn1cnnc1COCC(=O)NNC(=O)NCC(F)(F)F 1297094976 RUMDIPVNVHFOIN-UHFFFAOYSA-N 310.236 -0.776 50 10 DBGE CCOC(=O)C[C@H](O)C(=O)NNC(=O)c1n[nH]c2c1CCCC2 1440792031 KOTPAKYENULLFQ-JTQLQIEISA-N 324.337 -0.636 50 10 DBGE NS(=O)(=O)c1ccccc1NNC(=O)CC1OCCCO1 1457784069 MZHDWMNLZDXAFV-UHFFFAOYSA-N 315.351 -0.070 50 10 DBGE CC(C)(C)OC(=O)NC[C@H](O)C(=O)NNC(=O)[C@H]1CCCO1 1468517874 SLBHWSLKVFZTFG-DTWKUNHWSA-N 317.342 -0.802 50 10 DBGE COC(=O)c1cc(NNC(=O)NCC(=O)NCC#N)ccc1F 1470095608 RXNQWXYEKKGESB-UHFFFAOYSA-N 323.284 -0.122 50 10 DBGE CN1CCC[C@H]1c1cc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)n[nH]1 1470496759 AIIYECFKFWVQOV-KWQFWETISA-N 320.353 -0.784 50 10 DBGE NC(=O)c1ccc(NNC(=O)Cc2cnn3c2CCCC3)nn1 1472530270 NBFMBRFGMJXETF-UHFFFAOYSA-N 315.337 -0.206 50 10 DBGE Cc1cc(C(F)F)n(CC(=O)NNC(=O)[C@H]2COCCO2)n1 1524183104 KYFXQZRIFUABDE-SECBINFHSA-N 318.280 -0.308 50 10 DBGE O=C(C[C@@H]1Oc2ccccc2NC1=O)NNC(=O)c1ncon1 1558630352 FBNAXLPDIZTCAT-VIFPVBQESA-N 317.261 -0.380 50 10 DBGE C[C@@H]1C[C@H](NC(=O)NNC(=O)c2ccc(=O)n(C)c2)[C@@H](C)O1 1565206488 PPAACZDDJBJGQC-KKZNHRDASA-N 308.338 -0.105 50 10 DBGE O=C(NCc1nc2c(s1)COCC2)NNC(=O)c1ncon1 1565389555 ZCUHRLPUJULJFN-UHFFFAOYSA-N 324.322 -0.257 50 10 DBGE CS(=O)(=O)CC(=O)NNC(=O)c1cc(-n2cccc2)ccn1 1586196383 UVQGFVDTTOLIHE-UHFFFAOYSA-N 322.346 -0.322 50 10 DBGE Cn1cc(/C=C(\C#N)C(=O)NCCC(=O)N2CCOCC2)cn1 1586771728 RZYIYVPSEWXULB-MDWZMJQESA-N 317.349 -0.308 50 10 DBGE CS(=O)(=O)c1cccc(C(=O)NNC(=O)Cc2ncc[nH]2)c1 1625429172 MXJYLYCIIKJAHZ-UHFFFAOYSA-N 322.346 -0.183 50 10 DBGE CCNC(=O)NNC(=O)CNc1ccc(S(C)(=O)=O)cc1 1626812603 FLZYZVLUAYWBDQ-UHFFFAOYSA-N 314.367 -0.148 50 10 DBGE CC(C)C(=O)NNC(=O)c1cc(S(N)(=O)=O)c(Cl)o1 1628603777 JPWCVVUMQLUECX-UHFFFAOYSA-N 309.731 -0.003 50 10 DBGE CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)NNC(=O)[C@H]1CC(=O)N1 1638812648 ZHXSCHZLPAHPDA-HTQZYQBOSA-N 312.326 -0.968 50 10 DBGE C[C@H](C(=O)NNC(=O)[C@@H]1CCN1C1CCOCC1)n1cncn1 1638870535 AZDUBCFMYATLBQ-PWSUYJOCSA-N 322.369 -0.760 50 10 DBGE C[C@H]1COC[C@H]1NCC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 1648391406 HEFSATMMNPZAOW-JOYOIKCWSA-N 322.321 -0.020 50 10 DBGE COC(=O)[C@@]12C[C@@H](NC(=O)NNC(=O)c3cnn(C)c3)C[C@@H]1C2 1683473645 DPBGTGBFYNRONX-BFVZDQMLSA-N 321.337 -0.294 50 10 DBGE O=C(NCCS(=O)(=O)CCBr)c1cc[nH]n1 1899698206 NHLUXYCAXQNEKZ-UHFFFAOYSA-N 310.173 -0.051 50 10 DBGE COCCn1nnnc1CNC(=O)[C@@H]1C[C@@H]1Br 1910134159 YMDUFMQCPDTFJN-RQJHMYQMSA-N 304.148 -0.281 50 10 DBGE CN1C(C)(C)[C@H](NS(=O)(=O)CCCCl)CS1(=O)=O 1965823864 LOWHYIBEKQICJI-MRVPVSSYSA-N 318.848 -0.043 50 10 DBGE COC1(C(=O)N[C@@H]2CS(=O)(=O)C[C@H]2Br)CC1 1983901589 QBKXBRPWRVFRGE-RNFRBKRXSA-N 312.185 -0.158 50 10 DBGE COC1CN(S(=O)(=O)NCCSSCCN)C1 2010829194 RXGKVBOAORQMJA-UHFFFAOYSA-N 301.459 -0.509 50 10 DBGE CN(C[C@H]1C[C@@H](Br)C1)C(=O)[C@@H]1NC[C@@H](O)[C@@H]1O 2023011397 MQDAMFNPNUNKST-ZOZBQHSOSA-N 307.188 -0.688 50 10 DBGE 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C=C(CS(=O)(=O)N1CC[C@@H]2[C@H](OC)C(C)(C)[C@@H]21)B(O)O 2282363799 QSUGSZGHRQJXFI-AXFHLTTASA-N 303.189 -0.370 50 10 DBGE Cc1sc(B(O)O)cc1S(=O)(=O)N1C[C@@H](N)CC[C@H]1C 2282364926 RZGDMFYCRWSWOR-APPZFPTMSA-N 318.229 -0.763 50 10 DBGE CO[C@H]1C[C@H](NS(=O)(=O)c2ccc(Cl)c(B(O)O)c2)C1 2282369856 MHHXHGWFVFMEPD-ZKCHVHJHSA-N 319.575 -0.525 50 10 DBGE Cn1ccnc1NS(=O)(=O)c1c(Cl)cccc1B(O)O 2282369917 NEOMBLUKSPKKBO-UHFFFAOYSA-N 315.547 -0.446 50 10 DBGE CC[C@@H](CNS(=O)(=O)Cc1ccc(B(O)O)cc1)OC 2282380489 JZCZVGVPFANPOV-LBPRGKRZSA-N 301.173 -0.789 50 10 DBGE O=S(=O)(Cc1ncsc1B(O)O)N1CC[C@@H]2CC[C@@H]2C1 2282385127 WCNJOECEJNTDKF-DTWKUNHWSA-N 316.213 -0.615 50 10 DBGE CO[C@@H]1CC[C@H]1NS(=O)(=O)c1ccc(B(O)O)cc1Cl 2282418497 OKAFBYCLHDBKLQ-NXEZZACHSA-N 319.575 -0.525 50 10 DBGE CO[C@@H]1CC[C@@H]1NS(=O)(=O)c1ccc(B(O)O)cc1Cl 2282418500 OKAFBYCLHDBKLQ-VHSXEESVSA-N 319.575 -0.525 50 10 DBGE C=CC[C@@H](CO)NS(=O)(=O)c1ccc(B(O)O)cc1Cl 2282426125 YHAKCTAMRXKJDY-VIFPVBQESA-N 319.575 -0.765 50 10 DBGE CC(C)[C@](C)(NC(=O)c1cc(B(O)O)c(Cl)s1)C(N)=O 2282439769 HXLSYWVAUJOVOP-NSHDSACASA-N 318.591 -0.289 50 10 DBGE Cc1cc(C(=O)N[C@H]2CCCS(=O)(=O)C2)c(B(O)O)s1 2282446891 PKMFPEXWATWANA-QMMMGPOBSA-N 317.197 -0.957 50 10 DBGE Cc1nsc(B(O)O)c1C(=O)N(CCO)CC(C)(C)C 2282452665 CJDUXCUMTOIGQX-UHFFFAOYSA-N 300.189 -0.388 50 10 DBGE CC[C@]1(F)CCN(S(=O)(=O)c2cccc(B(O)O)c2)C1 2282706981 SVKFFYYEAJWEMH-LBPRGKRZSA-N 301.148 -0.121 50 10 DBGE CN(CC1CC(F)C1)S(=O)(=O)c1cccc(B(O)O)c1 2282714427 RUEOXAKBLFOLKY-UHFFFAOYSA-N 301.148 -0.265 50 10 DBGE C=C(CS(=O)(=O)N=[S@](=O)(C(C)C)[C@H]1CCNC1)B(O)O 2282723716 HDABLCBCVINTOP-FVINQWEUSA-N 324.233 -0.877 50 10 DBGE N#CCC1CN(S(=O)(=O)c2ccc(B(O)O)cc2Cl)C1 2282731357 PTNYYWTZVCAVSA-UHFFFAOYSA-N 314.559 -0.446 50 10 DBGE COCC1(N(C)S(=O)(=O)c2cc(C)c(B(O)O)s2)CC1 2282737586 ICAYRQMZIPZYFW-UHFFFAOYSA-N 319.213 -0.464 50 10 DBGE Cc1cc(S(=O)(=O)N2C[C@@H]3CCO[C@H]3C2)sc1B(O)O 2282737595 IGCVIEIOBUFFAX-IUCAKERBSA-N 317.197 -0.854 50 10 DBGE CCN(CC(N)=O)C(=O)c1cc(F)c(B(O)O)cc1Cl 2282985291 ZTSSGZMTRHMZGU-UHFFFAOYSA-N 302.498 -0.894 50 10 DBGE CN(CC(C)(C)C(=O)O)S(=O)(=O)c1cscc1B(O)O 2284415761 QCTMBFSVPOCWJQ-UHFFFAOYSA-N 321.185 -0.841 50 10 DBGE CC(C)N(CCCC(=O)O)C(=O)c1sncc1B(O)O 2284439657 AVTNHQDVIWJNGD-UHFFFAOYSA-N 300.145 -0.462 50 10 DBGE CCc1nc(C(=O)NCC[C@H](C)C(=O)O)c(B(O)O)s1 2284451034 MEGNQVFUPAXCMH-LURJTMIESA-N 300.145 -0.774 50 10 DBGE CC[C@H]1SC[C@@H](C(=O)O)N1C(=O)c1cscc1B(O)O 2284456144 ODUROGPEHTVJAU-DTWKUNHWSA-N 315.181 -0.194 50 10 DBGE CS[C@@H](C)[C@H](NC(=O)c1nc(C)sc1B(O)O)C(=O)O 2284469170 VKQIREOWTPEDCY-NJGYIYPDSA-N 318.185 -0.934 50 10 DBGE CC(C)CN(C[C@H](C)O)S(=O)(=O)c1cc(B(O)O)cs1 2288027506 YNUFTPOKNUNWPI-VIFPVBQESA-N 321.229 -0.545 50 10 DBGE CC(C)(C)S(=O)(=O)CCN=c1cc(B(O)O)c(Cl)c[nH]1 2294904346 DNCFOQIECKTOHN-UHFFFAOYSA-N 320.607 -0.538 50 10 DBGE CS(=O)(=O)[C@H]1CC[C@H](Nc2cc(B(O)O)c(Cl)cn2)C1 2294908492 DXORWUIYHGVGCB-YUMQZZPRSA-N 318.591 -0.208 50 10 DBGE OCCO[C@@H]1CCCN(c2cc(B(O)O)c(Cl)cn2)C1 2294912813 XFVJGLLHAPHMMS-SECBINFHSA-N 300.551 -0.608 50 10 DBGE C[C@@H](Nc1cc(B(O)O)c(Cl)cn1)[C@@H]1CCS(=O)(=O)C1 2294915767 JOAAKFXCZQXFGP-HTQZYQBOSA-N 318.591 -0.350 50 10 DBGE COCCCNC(=O)C(C#N)=CN1CCN(C(=O)OC)CC1 2324726286 ULJOLJLGRRJKPU-UHFFFAOYSA-N 310.354 -0.069 50 10 DBGE Cc1scc(C(=O)NCC[C@@H](C)[S@](C)=O)c1B(O)O 2343494414 KJYLZLTURXGSGA-XJZHNMMOSA-N 303.214 -0.377 50 10 DBGE O=[S@]1CCCN(c2nc3ccc(B(O)O)cc3s2)CC1 2360276702 GENHQUMFPODALT-FQEVSTJZSA-N 310.209 -0.065 50 10 DBGE O=C(NCc1csc2cncn12)c1cnsc1B(O)O 2362503309 OYHWIBFVBHMXJG-UHFFFAOYSA-N 308.153 -0.538 50 10 DBGE CN(CCC[C@@H]1C[C@H]1C(=O)NN)[C@@H]1CS(=O)(=O)C1(C)C 2362645157 AERNHCKQYJHGRU-GMTAPVOTSA-N 303.428 -0.100 50 10 DBGE CN(NC(=O)C[C@@H]1C[C@@H](N)CCO1)S(=O)(=O)C1CCC1 2365273940 SWASGSZSFODVRP-UWVGGRQHSA-N 305.400 -0.272 50 10 DBGE CO[C@@H](CCNC(=O)NN(C)S(=O)(=O)C1CC1)C(=O)O 2365274544 DKTNHKWBEOJJEU-QMMMGPOBSA-N 309.344 -0.886 50 10 DBGE CCS(=O)(=O)N(C)NC(=O)[C@]1(N)[C@@H]2CCO[C@@H]2C1(C)C 2365343060 OUIVRIHPUXTANW-VDDIYKPWSA-N 305.400 -0.559 50 10 DBGE CCCCN(CC)Cc1c(C(=O)NN)nnn1-c1nonc1N 62339071 ZRBAHZOKEYWWPC-UHFFFAOYSA-N 323.361 -0.542 50 10 DBGE O=C(O)Cc1ccc(B(O)O)cc1I 238622110 FHACJFODXQRBCE-UHFFFAOYSA-N 305.864 -0.402 50 10 DBGE CCc1ccccc1NC(=O)C(=O)NNC(=O)[C@H]1COCCO1 274139978 XESSAWLCLDQATI-GFCCVEGCSA-N 321.333 -0.250 50 10 DBGE O=C(c1cccc(B(O)O)c1)N1CC[C@@H](N2CCC2)[C@H](F)C1 584983608 WXUDAZNUVLPJFF-ZIAGYGMSSA-N 306.146 -0.375 50 10 DBGE O=C(N[C@@H]1CS(=O)(=O)C[C@H]1Cl)[C@@H]1CCCS1(=O)=O 694693074 NEIGWQXRDLGZIR-PRJMDXOYSA-N 315.800 -0.916 50 10 DBGE O=C(CSC[C@H]1CCCCO1)NNC(=O)[C@H]1COCCO1 744649236 GEJCDVKUVPQTGA-GHMZBOCLSA-N 318.395 -0.149 50 10 DBGE N#Cc1ccc(F)c(CNC(=O)NNC(=O)[C@@H]2COCCO2)c1 745893185 PNDPWMGBPAEJSR-LBPRGKRZSA-N 322.296 -0.057 50 10 DBGE CCC(CC)[C@@H](O)CNC(=O)NNC(=O)[C@@H]1COCCO1 746004721 YFFLEOJZNROYRW-QWRGUYRKSA-N 303.359 -0.471 50 10 DBGE CC1(C)C[C@@H](NC(=O)NNC(=O)[C@H]2COCCO2)CCO1 754111752 KEVSDHGJWKOUCQ-VHSXEESVSA-N 301.343 -0.310 50 10 DBGE CCC(=O)N1CSC[C@@H]1C(=O)NNC(=O)Cc1cc[nH]n1 755286504 MPMCARFEJVSCHI-SECBINFHSA-N 311.367 -0.589 50 10 DBGE C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Cc1cccc(C#N)c1 758028924 HBAMULILUSQPKY-VIFPVBQESA-N 324.362 -0.814 50 10 DBGE NC(=O)N[C@@H]1CCN(CC(=O)NNC(=O)c2ccccc2)C1 762925073 KHVOOOPVHIQKGD-LLVKDONJSA-N 305.338 -0.810 50 10 DBGE O=C(NCCOC(F)(F)F)NNC(=O)[C@H]1COCCO1 788843762 LUKKEHZYYVGAOA-ZCFIWIBFSA-N 301.221 -0.731 50 10 DBGE COC(=O)C(C)(C)CS(=O)(=O)NNC(=O)[C@H]1CCCO1 814215489 QCKRMMNCTLWVAZ-MRVPVSSYSA-N 308.356 -0.685 50 10 DBGE CC1(C)NC(=O)N(CC(=O)NNC(=O)[C@@H]2CCCS2)C1=O 819653731 PFTQUUZWVSZWDS-ZETCQYMHSA-N 314.367 -0.640 50 10 DBGE CCN(Cc1cn(C)nn1)C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 827283261 ORXGWQOFWQGGGJ-MWLCHTKSSA-N 310.358 -0.197 50 10 DBGE Cn1cccc1C(=O)NNC(=O)[C@]12C[C@H]3C[C@@H](C(=O)N1)[C@H]2C3 844302326 HSKUCVAZHREJSV-SQAHSGDDSA-N 302.334 -0.299 50 10 DBGE CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1cc(C)nnc1N(C)C 850411201 QUGCQIRSLDXLHA-QMMMGPOBSA-N 322.369 -0.017 50 10 DBGE C[C@@]1(C2CC2)CN(C(=O)NNC(=O)[C@H]2CCC(=O)N2)CCO1 858702502 LNDGPSIWVREMSA-YGRLFVJLSA-N 310.354 -0.493 50 10 DBGE CNCCOCCNC(=O)NNC(=O)Cn1nc(C)cc1C 861676589 HRTPXVAPNXBVEZ-UHFFFAOYSA-N 312.374 -0.934 50 10 DBGE COc1cnc(C(=O)NNC(=O)N2CCN(C)CC2)c(F)c1 868122523 USKZKGNFHRXTST-UHFFFAOYSA-N 311.317 -0.169 50 10 DBGE Cc1cccc(C(=O)NNC(=O)C2CN([C@H]3CCOC3)C2)n1 897622670 WHHKEHPSIOPPLL-LBPRGKRZSA-N 304.350 -0.128 50 10 DBGE CSCCNC(=S)NNC(=O)[C@]1(C)C[C@@H](O)CN1C 901292944 YMVCOSSSGRRWAD-KCJUWKMLSA-N 306.457 -0.700 50 10 DBGE O=C(c1ccc(B(O)O)cc1)N1CC[C@](CO)(C(F)(F)F)C1 924446622 QSQDMXDVTIFEMP-LBPRGKRZSA-N 317.072 -0.247 50 10 DBGE CC1=C(C(=O)NNC(=S)NC(C)C)S(=O)(=O)CCO1 1135707707 VMTMSEMNWWCIEC-UHFFFAOYSA-N 307.397 -0.433 50 10 DBGE Cn1cc(/C=C(\C#N)C(=O)N[C@H](CO)c2cnn(C)c2)cn1 1137942836 GHTZABGUALWWAH-LXRBDXNZSA-N 300.322 -0.090 50 10 DBGE Cc1n[nH]cc1C(=O)NNC(=O)[C@]1(C)CCCS1(=O)=O 1144459904 AARMZDMTVWXYJJ-NSHDSACASA-N 300.340 -0.554 50 10 DBGE C=CC(=O)N(C)CC(=O)NNc1ccc(-n2ccnc2)nn1 1157050971 FGUVXWFETDEMKA-UHFFFAOYSA-N 301.310 -0.250 50 10 DBGE Cn1cc(C(=O)NNC(=O)[C@H]2CCCn3ncnc32)ccc1=O 1179628915 NZTUZKKPEWYENM-JTQLQIEISA-N 316.321 -0.685 50 10 DBGE CC(=O)N1CCC[C@@H](CNC(=O)NNC(=O)c2cnn(C)c2)C1 1227643529 NHVDJUMKYURAEQ-NSHDSACASA-N 322.369 -0.377 50 10 DBGE CS(=O)(=O)CC(=O)NNC(=O)C(F)(F)C1CCOCC1 1351666363 KFRKIKJTUJOAGJ-UHFFFAOYSA-N 314.310 -0.760 50 10 DBGE COc1ccc(C(=O)NNC(=O)CN2CCOCC2)c(OC)c1 1443337876 BHKJACIYMIJYOF-UHFFFAOYSA-N 323.349 -0.203 50 10 DBGE CCCCNC(=O)NNC(=O)Cn1ncn2nccc2c1=O 1464477931 QLHPKRNTYMFJGD-UHFFFAOYSA-N 307.314 -0.979 50 10 DBGE COCCCNC(=O)NNC(=O)[C@H]1COCCN1CC(F)F 1542343383 JIWSRDJKXOAZKI-SECBINFHSA-N 324.328 -0.681 50 10 DBGE O=C(NNC(=O)c1cnc2n(c1=O)CCS2)c1ccnnc1 1557068549 DAMKQTJBVZPEBO-UHFFFAOYSA-N 318.318 -0.786 50 10 DBGE O=C(NNC(=O)[C@@H]1COCCO1)[C@H]1CCN(c2ccncc2)C1 1558943489 LFXKRLNKCJYNEC-AAEUAGOBSA-N 320.349 -0.529 50 10 DBGE O=C(NNC(=O)[C@H]1CCCN1C(=O)C(F)(F)F)c1cnn[nH]1 1632919277 NZXQSQFJVLCEFB-ZCFIWIBFSA-N 320.231 -0.881 50 10 DBGE O=C(NC[C@H]1CC(=O)N(C2CC2)C1)NNC(=O)c1ccc[nH]1 1633574695 IERDWWIMDHSWDF-SECBINFHSA-N 305.338 -0.030 50 10 DBGE O=C(NNC(=O)c1nc[nH]c2ncnc1-2)N[C@@H]1CCCOCC1 1633655164 QFLLRSTZUGGILM-MRVPVSSYSA-N 319.325 -0.182 50 10 DBGE Cn1cc(N2C[C@@H](C(=O)NNC(=O)C(C)(C)O)CCC2=O)cn1 1634250068 RXTOTFORACSEBO-VIFPVBQESA-N 323.353 -0.919 50 10 DBGE C[C@@H]1C[C@@H](NC(=O)NNC(=O)c2ncccn2)c2ncnn21 1636901888 LVKHDYBMKWSPJA-HTQZYQBOSA-N 302.298 -0.282 50 10 DBGE N#Cc1ccccc1OCC(=O)NNC(=O)N[C@H]1CCOC1=O 1638101604 XNGVREKQHWFQHY-JTQLQIEISA-N 318.289 -0.417 50 10 DBGE O=C(NNC(=O)c1cccnc1OCCO)c1cnsn1 1644412171 DXCGAWGQGBJEIR-UHFFFAOYSA-N 309.307 -0.621 50 10 DBGE Cn1cc(C(=O)NNC(=O)c2cc(Br)n[nH]2)nn1 1645367846 MSUQYNIGDJKICJ-UHFFFAOYSA-N 314.103 -0.625 50 10 DBGE C[C@@]1(NC(=O)NNc2ccc(-n3cccn3)nn2)CCOC1=O 1684789413 DWEUBARGDFTGTD-CYBMUJFWSA-N 317.309 -0.006 50 10 DBGE 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CS(=O)(=O)N1CC[C@@H](OCc2csc(C(=O)NN)c2)C1 2285644031 GPYFWUFTLSBUDY-SECBINFHSA-N 319.408 -0.098 50 10 DBGE O=C(N[C@H]1CC[C@@H](O)C1)c1cc(B(O)O)c(F)cc1Cl 2285926540 UWUMGUKUEFTSSL-NKWVEPMBSA-N 301.510 -0.198 50 10 DBGE Cc1cc(F)c(B(O)O)cc1C(=O)N[C@H](C)C[S@](C)=O 2285945253 FKRVTMHXGDSMCV-SQFXPLBJSA-N 301.148 -0.689 50 10 DBGE CC[C@@H]1[C@H](O)CCN1CC(=O)N[C@H]1CS(=O)(=O)C[C@H]1Cl 2288900149 MVMRFEIMGXIHLJ-LMLFDSFASA-N 324.830 -0.648 50 10 DBGE C[C@H](CCNC(=O)c1cnsc1B(O)O)P(C)(C)=O 2337397173 XWRLXJWNCDSCBT-SSDOTTSWSA-N 304.117 -0.046 50 10 DBGE C=C(CS(=O)(=O)NC1(C(F)(F)F)CC(F)C1)B(O)O 2351622933 UHFWXSJEIPBOKH-UHFFFAOYSA-N 305.058 -0.093 50 10 DBGE C=C(CS(=O)(=O)N1CC[C@H](O)C[C@@H]1C(F)(F)F)B(O)O 2361411385 XRHDSXDQVFYXRT-JGVFFNPUSA-N 317.094 -0.728 50 10 DBGE CN(NC(=O)N[C@@H]1CC[C@H]1C(=O)O)S(=O)(=O)C1CCC1 2365268841 VWEXRHZXQDNGOP-RKDXNWHRSA-N 305.356 -0.122 50 10 DBGE O=C(O)CCC(=O)NNC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 13629023 CFORTXXNPYRKEF-VIFPVBQESA-N 323.305 -0.360 50 10 DBGE C[C@@H]1C[C@H](CN)CN1CC(=O)N[C@H]1CS(=O)(=O)C[C@H]1Cl 252209782 XWCAVDTZILUYPT-DBIOUOCHSA-N 323.846 -0.824 50 10 DBGE CN(NC(=O)CN1C(=O)N(C)C2(CCCCC2)C1=O)C(N)=O 364874149 XCVWZIFLJNZHKH-UHFFFAOYSA-N 311.342 -0.375 50 10 DBGE CN([C@H]1CCN(S(C)(=O)=O)C1)[C@H](C(=O)NN)C(C)(C)C 395604541 DBVWMLZYMJTHCN-VHSXEESVSA-N 306.432 -0.643 50 10 DBGE O=C(NCc1ncc(B(O)O)s1)[C@@H]1CCCSCC1 714705607 QJMLUYBGKNWAED-MRVPVSSYSA-N 300.214 -0.028 50 10 DBGE CN(C[C@H]1CC[C@@H](C(=O)NN)O1)C1CC(S(C)(=O)=O)C1 716122113 BSGYQRVRFYEIRM-DJRKXVOMSA-N 305.400 -0.969 50 10 DBGE C[C@H]1CC[C@@H](C)N1CC(=O)NNC(=O)[C@@H]1CCc2nncn2C1 816882497 GSHWQDOHWNAZFC-GRYCIOLGSA-N 320.397 -0.139 50 10 DBGE O=C(NCc1nnnn1C1CC1)NNC(=O)[C@@H]1CCCS1 824375999 ZHVNCNKTJMGPLM-QMMMGPOBSA-N 311.371 -0.266 50 10 DBGE O=C(NNS(=O)(=O)N1CCCCC1)[C@H]1C[C@H]2CC[C@H]1O2 844671091 LVDBIAZRTSFQIM-OUAUKWLOSA-N 303.384 -0.095 50 10 DBGE CCO[C@@H](C(=O)NNC(=O)[C@H]1CCc2nncn2C1)C1CC1 861804248 GGYKQWCYNYCGGJ-CMPLNLGQSA-N 307.354 -0.197 50 10 DBGE O=C(Cn1c(O)nc2ccccc21)NNC(=O)[C@@H]1CCC(=O)N1 862452053 IVHHPYVIZDKWJL-VIFPVBQESA-N 317.305 -0.832 50 10 DBGE COC(=O)c1ccc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)cc1F 862457333 HBVLNYKRAHHFFV-SNVBAGLBSA-N 323.280 -0.348 50 10 DBGE C[C@@H]1CC[C@H](C(=O)NNC(=O)c2cn(C[C@H]3CCOC3)nn2)O1 862894372 ZHJUIHFHGBBVHW-CKYFFXLPSA-N 323.353 -0.357 50 10 DBGE CCO[C@@H](CS(=O)(=O)NNC(=O)N1CCOCC1)C1CC1 863402851 AJHCNRZOQRUVSN-NSHDSACASA-N 321.399 -0.322 50 10 DBGE CO[C@@H]1CC[C@@H](NC(=O)NN[C@]2(C)CCS(=O)(=O)C2)C1 1116732480 ISFCJJMXJJGGTQ-CKYFFXLPSA-N 305.400 -0.065 50 10 DBGE C[C@@H]1C[C@]1(C(=O)NNC(=O)c1cn(C)nn1)C(=O)OC(C)(C)C 1131113809 OUFLVXHLLKJWLX-CLAHSXSESA-N 323.353 -0.056 50 10 DBGE CNC(=O)NNC(=O)[C@H](CCOC)NC(=O)OC(C)(C)C 1142141660 CCECQVCSDROODH-QMMMGPOBSA-N 304.347 -0.124 50 10 DBGE O=C(NNC(=O)c1cc(O)nc(C2CC2)n1)c1ccnnc1 1142446970 BFBGJHUGQWRCNK-UHFFFAOYSA-N 300.278 -0.076 50 10 DBGE COC1(C(=O)NNc2nc3ccccc3n2C)CS(=O)(=O)C1 1306837100 NSPNJCTYMREHEX-UHFFFAOYSA-N 324.362 -0.170 50 10 DBGE O=C(NNC(=O)C1(CCF)CC1)N[C@H]1CCS(=O)(=O)C1 1343689064 MJEFENNPWQCPSD-QMMMGPOBSA-N 307.347 -0.356 50 10 DBGE C[C@@H](NC(=O)c1ccc(B(O)O)cc1)C(=O)NCc1ccco1 1442760966 ZDIRRWAJRMKYTM-SNVBAGLBSA-N 316.122 -0.606 50 10 DBGE C[C@@H](NC(=O)NNC(=O)N=c1cc[nH]cc1)c1nnnn1C 1479493243 JOXZMTMSVSYZQA-SSDOTTSWSA-N 305.302 -0.876 50 10 DBGE COc1nn(C)cc1CNC(=O)NNC(=O)[C@H]1CCCCO1 1479545133 COKFPJKGIGKQPR-SNVBAGLBSA-N 311.342 -0.172 50 10 DBGE Cc1nc(C(C)C)ncc1C(=O)NNC(=O)[C@H]1CCC(=O)N1 1530235708 QMISAOXTVLPYMS-SNVBAGLBSA-N 305.338 -0.052 50 10 DBGE Cc1cccc(C(=O)NNC(=O)Cc2c(O)ncnc2O)n1 1556447440 LNEVRBZNCWQTKP-UHFFFAOYSA-N 303.278 -0.405 50 10 DBGE C[C@@H](NC(=S)NNC(=O)CCCS(N)(=O)=O)C1CC1 1583110763 XFIMWTDUNKXOQT-SSDOTTSWSA-N 308.429 -0.651 50 10 DBGE O=C(NNC(=O)c1cnn(CCO)c1)c1cccc([N+](=O)[O-])c1 1587064811 JSIHCCGYGOGTTK-UHFFFAOYSA-N 319.277 -0.142 50 10 DBGE CCN(CC)Cc1ccc(C(=O)NNC(=O)c2nnn(C)n2)o1 1631239250 NZZMZBJTJXWMBD-UHFFFAOYSA-N 321.341 -0.280 50 10 DBGE CC(C)(C)OC(=O)NC[C@H]1OCC[C@H]1C(=O)NNC(=O)CO 1638526589 QCQMLVKKUJIEDG-RKDXNWHRSA-N 317.342 -0.944 50 10 DBGE O=C(N[C@H]1CC(=O)N(c2ccccc2)C1)c1cccc(B(O)O)c1 1638532922 GLLLYFCEOVSLRX-AWEZNQCLSA-N 324.145 -0.098 50 10 DBGE CCOC(=O)Cn1ccc(NC(=O)c2cccc(B(O)O)c2)n1 1640376839 BIVBCEDADGIBDF-UHFFFAOYSA-N 317.110 -0.622 50 10 DBGE COc1nccnc1NNC(=O)[C@H](NC(=O)C1CC1)[C@H](C)O 1642920113 PGWRPXFYCVAXHZ-IONNQARKSA-N 309.326 -0.796 50 10 DBGE COC(=O)[C@@H]1CC[C@H](C(=O)NNc2ccc(C(N)=O)nn2)C1 1654423178 JUZGABWBROWEGV-JGVFFNPUSA-N 307.310 -0.392 50 10 DBGE CN(C)S(=O)(=O)C1(CNC(=O)NNc2cccnn2)CC1 1685300803 MDPIVOSHFWGKSF-UHFFFAOYSA-N 314.371 -0.473 50 10 DBGE O=S1(=O)CC(S(=O)(=O)N[C@@H]2COCC[C@H]2Cl)C1 1917966593 BLMBSGPTVMCYOU-HTQZYQBOSA-N 303.789 -0.901 50 10 DBGE CO[C@@H]1CCOC[C@H]1NS(=O)(=O)CCOCCCl 2072248391 GOCWJJQXVOEXQB-NXEZZACHSA-N 301.792 -0.035 50 10 DBGE COCCCS(=O)(=O)NCc1scc(C)c1B(O)O 2100797721 QUIJCPGOOOTPQQ-UHFFFAOYSA-N 307.202 -0.808 50 10 DBGE Cn1cc(S(=O)(=O)N2C[C@@H](O)C[C@@H](O)C2)c(CCl)n1 2123397547 IMEKGXLYUYCKAM-OCAPTIKFSA-N 309.775 -0.725 50 10 DBGE Cc1c(NC(=O)CS(C)(=O)=O)ccc(B(O)O)c1Cl 2138188916 UJQGVLMAJLJVJV-UHFFFAOYSA-N 305.548 -0.689 50 10 DBGE O=C(O)[C@@H](CB(O)O)NS(=O)(=O)CCc1ccccc1 2161078103 DHHCQDNODPIKOO-SNVBAGLBSA-N 301.129 -0.926 50 10 DBGE CC(C)N(CCS(C)(=O)=O)C[C@@H]1CC[C@H](C(=O)NN)O1 2170144479 OZGYLGUKNAVIGV-WDEREUQCSA-N 307.416 -0.721 50 10 DBGE CCN(Cc1nc(C(=O)NN)co1)[C@@H](C)CS(C)(=O)=O 2170412560 GVGRPBKDFGFJQE-QMMMGPOBSA-N 304.372 -0.467 50 10 DBGE C[C@@H]1OCCO[C@@H]1CN(C)c1ncc(Cl)cc1B(O)O 2172799268 DIZYEAFMXSMPPC-GZMMTYOYSA-N 300.551 -0.345 50 10 DBGE CC(C)OCCS(=O)(=O)N[C@H](C)c1cc(B(O)O)cs1 2177628279 NQRQTRIGFQQSFW-SECBINFHSA-N 321.229 -0.167 50 10 DBGE CC(C)(C)S(=O)(=O)CCCn1cccc(B(O)O)c1=O 2178421449 OYXOMWXCFTZEKK-UHFFFAOYSA-N 301.173 -0.869 50 10 DBGE Cn1cc(S(=O)(=O)N[C@@H]2CCO[C@H]2C(N)=O)c(CCl)n1 2179995324 DBABFBKKDGZHEE-HZGVNTEJSA-N 322.774 -0.920 50 10 DBGE C[S@@](=O)(=NCC12CC(C(=O)NN)(CO1)C2)N1CCCC1 2202647363 LSJLSXODNCJCQU-YNBSLNEISA-N 302.400 -0.366 50 10 DBGE OB(O)c1cc(Br)cnc1NC[C@H]1COCCO1 2223679563 RBHKKJZZFBHJLG-QMMMGPOBSA-N 316.948 -0.649 50 10 DBGE CCCN(Cc1nscc1B(O)O)S(=O)(=O)C(C)C 2227244638 IDXNEDFEEOGURB-UHFFFAOYSA-N 306.218 -0.227 50 10 DBGE COC[C@@H](C)S(=O)(=O)Nc1nc(B(O)O)ccc1Cl 2232408303 WLSCXINZRMQBOB-ZCFIWIBFSA-N 308.552 -0.809 50 10 DBGE O=c1cc(C(F)(F)F)ncn1Cc1nscc1B(O)O 2235502413 PJEJIIKMUYFGIT-UHFFFAOYSA-N 305.046 -0.553 50 10 DBGE O=S(=O)(CCOCCCl)NC[C@@H]1CC[C@H](CO)CO1 2264684145 FIKCXAFMHZALPS-MNOVXSKESA-N 315.819 -0.051 50 10 DBGE O=S(=O)(NC[C@H]1CN2CCCN1CC2)N1CC(Cl)C1 2265390975 ZRJCYVXMKCHETF-NSHDSACASA-N 308.835 -0.866 50 10 DBGE CCn1c(O)cc(=O)n(S(=O)(=O)C[C@H](C)CCl)c1=O 2265967090 KRKJAIIBRWSWMF-SSDOTTSWSA-N 310.759 -0.212 50 10 DBGE C[C@H](CNC(=O)c1ccc(Cl)c(B(O)O)c1)[S@@](C)=O 2266938475 POJHINHGWHJIEC-QOLSBQFWSA-N 303.576 -0.483 50 10 DBGE CC(C)[C@H](NS(=O)(=O)c1cc(B(O)O)cs1)C(F)F 2267198614 ANAOAHZLMVKYDM-QMMMGPOBSA-N 313.156 -0.004 50 10 DBGE CO[C@H]1CC[C@H]1N(C)S(=O)(=O)c1ccc(B(O)O)s1 2267204987 MCZILBLUJNVNJI-SFYZADRCSA-N 305.186 -0.774 50 10 DBGE C[C@@H]1CN(S(=O)(=O)Cc2ccsc2B(O)O)C[C@H]1C 2267367529 UYOBOMSIUZTQHH-RKDXNWHRSA-N 303.214 -0.155 50 10 DBGE CC1=CCN(S(=O)(=O)c2ccc(B(O)O)cc2Cl)C1 2267378090 NFADSSCHCBXDIZ-UHFFFAOYSA-N 301.560 -0.030 50 10 DBGE C=C(CS(=O)(=O)N1C[C@@H](C(F)(F)F)CC1=O)B(O)O 2267382169 GVRXSJDXWHUSMU-LURJTMIESA-N 301.051 -0.705 50 10 DBGE CC[C@@H](O)[C@@H](C)NS(=O)(=O)c1cc(C)c(B(O)O)s1 2267392736 ZWNNYLPESRZEMW-HTQZYQBOSA-N 307.202 -0.826 50 10 DBGE O=C(c1scc(B(O)O)c1Cl)N1C[C@@H]2C[C@H](C1)C2O 2267453044 KUFLOUKLDIERET-SFJPZXRQSA-N 301.560 -0.466 50 10 DBGE C[C@H](CO)CCCNS(=O)(=O)c1sccc1B(O)O 2267474787 ARIJYEBILQZEDL-QMMMGPOBSA-N 307.202 -0.885 50 10 DBGE CCCN(CCCO)S(=O)(=O)c1cc(B(O)O)cs1 2267609110 LPISGUGURHONKG-UHFFFAOYSA-N 307.202 -0.789 50 10 DBGE O=S(=O)(NCC1(Cl)CCC1)c1ccc(B(O)O)cc1 2267614025 ICUFVBUYPGTVNU-UHFFFAOYSA-N 303.576 -0.194 50 10 DBGE C[C@H](CC#N)NS(=O)(=O)c1c(Cl)cccc1B(O)O 2267618215 CYUDCMCDNOPCST-SSDOTTSWSA-N 302.548 -0.400 50 10 DBGE C=C(CS(=O)(=O)N[C@H](C)CCc1nccs1)B(O)O 2267618222 DCDLQHXTPWKPOA-SECBINFHSA-N 304.202 -0.048 50 10 DBGE C[C@H]1CO[C@@H](CNS(=O)(=O)c2sccc2B(O)O)C1 2267620294 GYRASEPZMTXORI-HTQZYQBOSA-N 305.186 -0.869 50 10 DBGE CS(=O)(=O)CCCCN=c1cc(B(O)O)c(Cl)c[nH]1 2277605083 OYFQWELOXAWCIY-UHFFFAOYSA-N 306.580 -0.927 50 10 DBGE O=C(c1csc(B(O)O)c1)N1CCNC[C@H]1CC(F)F 2281621332 XFGSOPGKQLOJAC-MRVPVSSYSA-N 304.127 -0.503 50 10 DBGE O=C(N[C@@H]1CCNC[C@@H]1F)c1cc(B(O)O)ccc1Cl 2281687676 YENBGYVZAVTENM-WDEREUQCSA-N 300.526 -0.550 50 10 DBGE CNC(=O)OCCNC(=O)c1ccc(B(O)O)c(Cl)c1 2281691411 MDGKBHWWTMHYIW-UHFFFAOYSA-N 300.507 -0.894 50 10 DBGE C[C@@H](N)C[S@@](C)(=O)=NC(=O)c1cccc(B(O)O)c1F 2281693437 NFBWUKORRJKTCO-JLPJYYFKSA-N 302.136 -0.909 50 10 DBGE Cc1cc(C(=O)N2CCOC[C@@H]2C(F)F)sc1B(O)O 2281721945 WQRFYNJXJOJBMU-SSDOTTSWSA-N 305.111 -0.158 50 10 DBGE 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CS(=O)(=O)C1(C(=O)NNC(=O)c2ncon2)CCCC1 1134396738 GJLFRNLZZQTDHZ-UHFFFAOYSA-N 302.312 -0.812 50 10 DBGE O=C(NCC1CC1)NNC(=O)[C@@H]1C[C@H](O)CN1c1ccncn1 1142342886 NXONOWSOJLDJLB-QWRGUYRKSA-N 320.353 -0.843 50 10 DBGE CN(C1COC1)C1CN(S(=O)(=O)CCBr)C1 1195872480 WCLAUOZJGDIXJT-UHFFFAOYSA-N 313.217 -0.274 50 10 DBGE Cc1cc(=NNC(=O)c2cc(S(N)(=O)=O)cn2C)cc[nH]1 1301222017 UBGACJHMRSIYMS-UHFFFAOYSA-N 309.351 -0.445 50 10 DBGE C[C@@]1(C(=O)NNC(=O)CNC(=O)NCc2ccco2)CCCO1 1325292646 QSRWGNWKVJUKGE-AWEZNQCLSA-N 324.337 -0.205 50 10 DBGE COC(=O)C(=O)NNC(=O)C(=O)Nc1cccc([C@@H](C)OC)c1 1326089674 KGCBRGNSFGOQDA-MRVPVSSYSA-N 323.305 -0.347 50 10 DBGE Cn1cc(C(=O)NNC(=O)NC2CCN(CC3CC3)CC2)nn1 1329894107 CQRVYUAYFZLQBR-UHFFFAOYSA-N 321.385 -0.367 50 10 DBGE C#CCN1CCC[C@H](NC(=O)NNC(=O)c2cnsn2)C1 1333677542 LTNRFSLPGNOVNZ-VIFPVBQESA-N 308.367 -0.420 50 10 DBGE CS(=O)(=O)CC(=O)NNC(=O)/C=C\c1cncc(F)c1 1470661123 NNAKGHXHDFVRLO-IHWYPQMZSA-N 301.299 -0.574 50 10 DBGE CS(=O)(=O)SCCNC(=O)c1cn2c(n1)COCC2 1471451496 LXLGUCDPZPEWBP-UHFFFAOYSA-N 305.381 -0.164 50 10 DBGE Cn1c(O)nc2cc(C(=O)NNC(=O)c3ncon3)ccc21 1558630456 HMYBPXMKKIPFGD-UHFFFAOYSA-N 302.250 -0.263 50 10 DBGE Cc1cnc2c(cnn2CC(=O)NNC(=O)c2cnn[nH]2)c1 1565634813 JFBKAOBPECSIJT-UHFFFAOYSA-N 300.282 -0.681 50 10 DBGE O=C(NNC(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1)N[C@H]1CCS(=O)(=O)C1 1583280681 GPSMZGHUDGFYKB-DBIOUOCHSA-N 315.395 -0.060 50 10 DBGE CC[C@@H](C(=O)NNC(=O)[C@@H](CO)NC(N)=O)c1ccccc1 1586225520 OTQBLUWILVLVAS-GHMZBOCLSA-N 308.338 -0.643 50 10 DBGE CO[C@@](C)(C(=O)NNC(=O)c1nc[nH]c2ncnc1-2)C1CC1 1634212473 JRPOVGSBVQTEPH-CYBMUJFWSA-N 304.310 -0.119 50 10 DBGE Cc1c[nH]c(CC(N)=O)c1C(=O)NNC(=O)C1CCOCC1 1644339943 ANTBMBDKCYHPIU-UHFFFAOYSA-N 308.338 -0.461 50 10 DBGE CS(=O)(=O)CCC(=O)NNc1ccccc1S(N)(=O)=O 1654534340 SSXZBWBHCNQJOR-UHFFFAOYSA-N 321.380 -0.788 50 10 DBGE Cn1cc(C(=O)NNC(=O)NCCCc2cnn(C)n2)cn1 1681348971 CJNUHHJMQTZLLG-UHFFFAOYSA-N 306.330 -0.875 50 10 DBGE CO[C@@H](CCO)CNS(=O)(=O)CI 1881744970 LIBVZLOLESIYTE-LURJTMIESA-N 323.152 -0.304 50 10 DBGE O=S(=O)(CI)N1C[C@H](O)C[C@H]1CO 1881745621 CSKZMNCLNNDLFV-NTSWFWBYSA-N 321.136 -0.864 50 10 DBGE CC(C)(C)OC(=O)N[C@@H]1COCC[C@H]1C(=O)NCB(O)O 1885562507 HBVMRRLVJSVGRR-RKDXNWHRSA-N 302.136 -0.956 50 10 DBGE NC(=O)C1(O)CN(S(=O)(=O)c2ccc(CCCl)cc2)C1 1915237322 DNPQTGZTGBJELY-UHFFFAOYSA-N 318.782 -0.311 50 10 DBGE O=S1(=O)CC(S(=O)(=O)N(CCCl)C2COC2)C1 1917923567 YZRQSLPZHBLXOD-UHFFFAOYSA-N 303.789 -0.947 50 10 DBGE CN1CCN(C[C@H](O)CCl)[C@H](CNC(=O)C(F)(F)F)C1 1955951140 FTWANWKHONXKIG-RKDXNWHRSA-N 317.739 -0.119 50 10 DBGE COc1nc(N(C)CCOCc2ccccc2)ncc1B(O)O 1981468559 DSFWZHNUMGGLOW-UHFFFAOYSA-N 317.154 -0.182 50 10 DBGE Cn1c(C(=O)N[C@@H](CB(O)O)C(=O)O)cc(Cl)c1Cl 2104792973 HJIPFYCAJRXDSQ-YFKPBYRVSA-N 308.914 -0.012 50 10 DBGE CCn1cc(S(=O)(=O)N2CCN3C[C@H](Cl)C[C@@H]3C2)nn1 2144418808 CQOIGVPIAGVXSI-NXEZZACHSA-N 319.818 -0.016 50 10 DBGE C[C@@H](Cl)c1nc(=N)[nH]c(=NC[C@@H]2CCS(=O)(=O)N2C)[nH]1 2145349050 NIGWMXRHUPKPJX-RQJHMYQMSA-N 320.806 -0.548 50 10 DBGE COCCN(Cc1csc(C(=O)NN)n1)[C@H]1CCOC1 2152153891 MTYDAONTISFELZ-JTQLQIEISA-N 300.384 -0.016 50 10 DBGE Cc1csc(CN(C)S(=O)(=O)NC2CCC2)c1B(O)O 2157044395 WKDYAOVXWPNMTM-UHFFFAOYSA-N 318.229 -0.445 50 10 DBGE Cn1ncc(C(=O)NN)c1CN=[S@@](C)(=O)N1CCCC1 2169385417 OQGVHKXXTMAARE-HXUWFJFHSA-N 300.388 -0.368 50 10 DBGE CS[C@@H]1CN(c2ncc(Cl)cc2B(O)O)C[C@H]1N(C)C 2172793792 JHHKQNZKKJJNQX-GHMZBOCLSA-N 315.635 -0.103 50 10 DBGE Cn1cc(S(=O)(=O)N2CCOC[C@@H]2C(N)=O)c(CCl)n1 2179998224 XJVUWPFCPGGPIH-MRVPVSSYSA-N 322.774 -0.966 50 10 DBGE CO[C@H]1CCN(S(=O)(=O)c2c[nH]nc2C)C[C@H]1N=C=O 2183896433 OSIVLMLOMNPMIQ-ZJUUUORDSA-N 300.340 -0.168 50 10 DBGE O=C(CN1C[C@@H]2C[C@@H]2[C@@H]2C[C@@H]21)N[C@H]1CS(=O)(=O)C[C@H]1Cl 2195873996 CDXPGJLIDXUCML-UQPICLANSA-N 318.826 -0.153 50 10 DBGE COCC(COC)CN(C)Cc1nsc(C(=O)NN)n1 2199383827 RFQCVEMWJXOJIM-UHFFFAOYSA-N 303.388 -0.518 50 10 DBGE C[C@@H]1CNCC[C@@H]1Nc1ncc(Br)cc1B(O)O 2223671775 BIEKEOWCJBCIRH-XCBNKYQSSA-N 313.992 -0.066 50 10 DBGE CON(c1ncc(Br)cc1B(O)O)[C@H]1CCNC1 2223675468 RGGWUTPPVZVBKD-QMMMGPOBSA-N 315.964 -0.746 50 10 DBGE OB(O)c1cc(Br)cnc1NCc1cnccn1 2223680035 XTTOFQHDLJUNIR-UHFFFAOYSA-N 308.932 -0.074 50 10 DBGE C[C@@H]1[C@@H](C)S(=O)(=O)CCN1Cc1ccc(B(O)O)s1 2227150223 YJCGMKUPVJTOHB-RKDXNWHRSA-N 303.214 -0.565 50 10 DBGE C[C@H]1[C@H](C)S(=O)(=O)CCN1Cc1cc(B(O)O)cs1 2227154663 YVEUGGTXXPQJAU-IUCAKERBSA-N 303.214 -0.565 50 10 DBGE C[C@H](CNC(=O)c1ccc(B(O)O)cc1Cl)[S@](C)=O 2228762166 GTSNFXQADRKLGU-XJZHNMMOSA-N 303.576 -0.483 50 10 DBGE Cc1sc(CN(C)S(=O)(=O)N2CCC2)c(B(O)O)c1C 2237643328 CDEGTCUEHIVAKO-UHFFFAOYSA-N 318.229 -0.573 50 10 DBGE CCCS(=O)(=O)CCN(C)c1nccc(B(O)O)c1F 2240322737 RWRIQSXXBNWZCG-UHFFFAOYSA-N 304.152 -0.839 50 10 DBGE CC(C)(C)OC(=O)N1CC(ONC(=O)[C@H]2C[C@@H]2B(O)O)C1 2241494701 BMSRHUGRGWKYTL-IUCAKERBSA-N 300.120 -0.484 50 10 DBGE COC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC=CB(O)O 2241563041 XXYHANPDJQFOEA-VIFPVBQESA-N 302.136 -0.790 50 10 DBGE O=C(NC[C@@H]1COCC2(CNC2)O1)[C@@H]1C[C@@H]1Br 2246450718 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CCOCc1nc(C)cc(NNC(=O)C2(NC(N)=O)CC2)n1 1644393738 MULVCWVZHVQWSR-UHFFFAOYSA-N 308.342 -0.034 50 10 DBGE Cn1cc(C(=O)NNC(=O)[C@H]2CCc3n[nH]cc3C2)ccc1=O 1653053868 VHHSEKJXHPBXLW-VIFPVBQESA-N 315.333 -0.326 50 10 DBGE O=C(NCc1cn(C2CC2)c(=O)nc1O)NNc1cccnn1 1684887834 VDFQUXFTKBYWMN-UHFFFAOYSA-N 317.309 -0.100 50 10 DBGE CON1CCC(NC(=O)NNC(=O)N=c2cc[nH]cc2)CC1 1686829908 AVTSPRCKZTZSNP-UHFFFAOYSA-N 308.342 -0.135 50 10 DBGE C#CCN(CC#C)CC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 1772516067 NTMFJNXDHGJFAK-UHFFFAOYSA-N 314.301 -0.076 50 10 DBGE CC1(C)C(=O)NC(=O)CN1S(=O)(=O)CCOCCCl 1876993456 YPWUBRUXNSODBS-UHFFFAOYSA-N 312.775 -0.691 50 10 DBGE O=C(CCCCBr)N1CC2(C1)OC[C@@H](O)[C@H]2O 1908653615 QMNUCHHDHSHCRE-PSASIEDQSA-N 308.172 -0.115 50 10 DBGE CSCC(=O)NNC(=O)CN1C(=O)c2ccccc2C1=O 1923922218 BEBCCLNWNYAXNR-UHFFFAOYSA-N 307.331 -0.207 50 10 DBGE CS(=O)(=O)CC(=O)NC[C@H]1COC[C@H]1Br 1933396104 WKNBEKMNHGOJJC-NKWVEPMBSA-N 300.174 -0.443 50 10 DBGE CC(F)(F)CS(=O)(=O)N[C@@H]1CS(=O)(=O)C[C@H]1Cl 1940632883 UVWDGVZAPNBECB-PHDIDXHHSA-N 311.759 -0.035 50 10 DBGE CCS(=O)(=O)CCNC(=O)c1cc(B(O)O)ccc1Cl 1969250297 FOBPSCGVHMAJAF-UHFFFAOYSA-N 319.575 -0.816 50 10 DBGE O=C(NC1CCS(=O)CC1)c1cc(B(O)O)ccc1Cl 1970891038 HBPMVFWREAGVPY-UHFFFAOYSA-N 315.587 -0.339 50 10 DBGE NS(=O)(=O)NCCCN1CCC[C@H](Br)C1=O 1975541117 WARJSLFNQNYBOK-ZETCQYMHSA-N 314.205 -0.445 50 10 DBGE COCCN(CCBr)S(=O)(=O)c1nc[nH]n1 1984365979 ZBJMUCOUZRYSGT-UHFFFAOYSA-N 313.177 -0.163 50 10 DBGE NC(=O)CN(Cc1ccccc1)C(=O)c1ccccc1B(O)O 1992837280 WSFBTIIKVPEOES-UHFFFAOYSA-N 312.134 -0.506 50 10 DBGE O=C(N[C@@H]1CS(=O)(=O)C[C@@H]1Br)[C@H]1[C@H]2COC[C@H]21 2008522032 PEZURXYBGLGQRN-ULHDWMFZSA-N 324.196 -0.445 50 10 DBGE COC(=O)[C@@H](CO)NS(=O)(=O)CCC(CCl)CCl 2042738277 KELYPCAUTDAVLQ-MRVPVSSYSA-N 322.210 -0.076 50 10 DBGE CC1(C)OC[C@@H](NS(=O)(=O)CCS(C)(=O)=O)[C@H]1Cl 2078736070 CEPZUHUHZUUNRN-HTQZYQBOSA-N 319.832 -0.265 50 10 DBGE CS(=O)(=O)C[C@H]1CCN(c2nc(CCl)nc(=N)[nH]2)C1 2087364073 GVEYOJKABQIYPZ-ZETCQYMHSA-N 305.791 -0.106 50 10 DBGE COCCn1nnnc1CNS(=O)(=O)C[C@@H](C)CCl 2113081214 GYHYVMYNEFBDRC-QMMMGPOBSA-N 311.795 -0.386 50 10 DBGE O=C(C1[C@@H]2CS(=O)(=O)C[C@@H]12)N1CCOC[C@@H](CCl)C1 2117960632 PWKNIIDNFNGLKI-IVZWLZJFSA-N 307.799 -0.009 50 10 DBGE Cn1cc(S(=O)(=O)N[C@@H](C(N)=O)C2CC2)c(CCl)n1 2123406002 RNSGVBRSOLSPCJ-SECBINFHSA-N 306.775 -0.299 50 10 DBGE C[C@H](CS(=O)(=O)N(C)C)N=c1[nH]c([C@@H](C)Cl)nc(=N)[nH]1 2151089074 KAAJLKMXLFEXBX-RNFRBKRXSA-N 322.822 -0.302 50 10 DBGE NNC(=O)c1sncc1CN1CCCCC1(CO)CO 2173338279 STHNELPECRSOSM-UHFFFAOYSA-N 300.384 -0.544 50 10 DBGE COC[C@H](C)CNC(=O)N(C)Cc1cc(B(O)O)cs1 2192642831 MJZJYSCJYYKWSE-SECBINFHSA-N 300.189 -0.148 50 10 DBGE O=C(CN1Cc2conc2C1)N[C@H]1CS(=O)(=O)C[C@H]1Cl 2195877267 BDTYEIKEEQCAFK-SCZZXKLOSA-N 319.770 -0.489 50 10 DBGE CN(C)[C@@H]1CCN(CC(=O)N[C@@H]2CS(=O)(=O)C[C@H]2Cl)C1 2195880967 UXFFPVFIEXDSOX-GMTAPVOTSA-N 323.846 -0.857 50 10 DBGE CCO[C@@H]1CCN(CC(=O)N[C@@H]2CS(=O)(=O)C[C@H]2Cl)C1 2195881400 XYDZRVCXAAFDCR-GMTAPVOTSA-N 324.830 -0.382 50 10 DBGE COC12CC(C1)N(CC(=O)N[C@H]1CS(=O)(=O)C[C@@H]1Cl)C2 2195882305 YJVPEHOTZVKBRP-QLWZBITOSA-N 322.814 -0.630 50 10 DBGE C[C@H](N)[C@@H]1CCN(c2ncc(Br)cc2B(O)O)C1 2223670907 FFDHBIQHFCDYIJ-JGVFFNPUSA-N 313.992 -0.303 50 10 DBGE COC12CC(C1)N(c1ncc(Br)cc1B(O)O)C2 2223671107 HQTDAAOLQPRQRL-UHFFFAOYSA-N 312.960 -0.109 50 10 DBGE CS(=O)(=O)C1CCN(Cc2ccc(B(O)O)s2)CC1 2227154311 TZFVGQHEYZSCOW-UHFFFAOYSA-N 303.214 -0.563 50 10 DBGE CC1(C)C[C@@H](S(C)(=O)=O)CN1Cc1cscc1B(O)O 2235504235 WQEJMGWVOXEMFR-SNVBAGLBSA-N 317.241 -0.175 50 10 DBGE COC[C@H](CCO)NC(=O)c1ccc(B(O)O)cc1Cl 2237082803 YAHBSXPYBGUIGT-VIFPVBQESA-N 301.535 -0.853 50 10 DBGE CC1(C)CN(CC2(C(=O)NN)CCOCC2)CC[S@]1=O 2239404224 APHXPFBGXIKNLO-HXUWFJFHSA-N 303.428 -0.384 50 10 DBGE O=C1CC(CS(=O)(=O)Nc2ccc(Cl)c(B(O)O)n2)C1 2241206663 IFHDXORAUQINDF-UHFFFAOYSA-N 318.547 -0.864 50 10 DBGE O=C(N[C@@H]1CCN(Cc2ccccc2)C1)c1occc1B(O)O 2243409351 GLJIZOXIGUIZDW-CYBMUJFWSA-N 314.150 -0.036 50 10 DBGE COC(=O)CN(Cc1ccccc1)C(=O)c1coc(B(O)O)c1 2243409778 OSPLNTRICDDSCI-UHFFFAOYSA-N 317.106 -0.225 50 10 DBGE CC(C)(C)OC(=O)N1CC[C@H]1C(=O)Nc1cccc(B(O)O)n1 2243685578 XJMKLGPTJQWPQQ-VIFPVBQESA-N 321.142 -0.291 50 10 DBGE C[C@H](N)CN(C)S(=O)(=O)c1cc(Cl)c(B(O)O)s1 2255778502 RVULHDOKFZUSPK-YFKPBYRVSA-N 312.609 -0.951 50 10 DBGE CC[C@](C)(CN)N(C)S(=O)(=O)c1cc(B(O)O)cs1 2267199494 NGPSGYMYSVKRNU-SNVBAGLBSA-N 306.218 -0.824 50 10 DBGE C[C@H]1CN(S(=O)(=O)c2cc(B(O)O)cs2)[C@@H](C)CO1 2267202476 CWICYMHEPOMLOD-YUMQZZPRSA-N 305.186 -0.774 50 10 DBGE Cc1ncsc1CNS(=O)(=O)c1sccc1B(O)O 2267203190 NFFZFOZEKWJCFJ-UHFFFAOYSA-N 318.210 -0.329 50 10 DBGE CC(C)[C@H]1C[C@H]1CNS(=O)(=O)c1sccc1B(O)O 2267210525 IHAXLLMQMCBQQC-DTWKUNHWSA-N 303.214 -0.002 50 10 DBGE CSCC[C@@H](C)NS(=O)(=O)c1cccc(B(O)O)c1 2267227182 ZCWOOURLBMKMOU-SECBINFHSA-N 303.214 -0.214 50 10 DBGE NC[C@@H]1CC[S@](=O)(=NC(=O)c2ccc(B(O)O)s2)C1 2267306102 FRPTVDPAOYZNQX-ZDVLTJLQSA-N 302.186 -0.985 50 10 DBGE O=S(=O)(Cc1ccsc1B(O)O)N[C@@H]1CC[C@H]2C[C@@H]21 2267379325 QPWIJBKCXIELQT-UJNFCWOMSA-N 301.198 -0.354 50 10 DBGE CC[C@H](NS(=O)(=O)c1cc(B(O)O)sc1C)[C@H](C)O 2267380446 FNSRYMHWQKZMHM-XPUUQOCRSA-N 307.202 -0.826 50 10 DBGE O=S(=O)(N[C@@H]1CCC[C@@H](O)C1)c1cscc1B(O)O 2267393006 RPDZOARTVXUWPV-HTQZYQBOSA-N 305.186 -0.990 50 10 DBGE C[C@@H]1C[C@@H]1CNS(=O)(=O)c1ccc(B(O)O)cc1Cl 2267617928 SOJPDOKMAJSNIW-HTQZYQBOSA-N 303.576 -0.046 50 10 DBGE C[C@H](CS(C)(=O)=O)N(C)c1cc(B(O)O)c(Cl)cn1 2277609145 DBEQMDATOLGWHP-SSDOTTSWSA-N 306.580 -0.716 50 10 DBGE NC[C@@H]1C[C@H](F)CN1C(=O)c1ccc(Cl)cc1B(O)O 2281687605 NDAFSUKRAPCTQX-IUCAKERBSA-N 300.526 -0.469 50 10 DBGE O=C(c1scc(B(O)O)c1Cl)N1CCO[C@@H](CCO)C1 2281760095 PUANKPYCNFWRNW-ZETCQYMHSA-N 319.575 -0.695 50 10 DBGE Cc1sc(C(=O)N2CC[S@@](=O)[C@H](C)C2)c(B(O)O)c1C 2281778228 QLHVSGDJZGJWJT-JLPJYYFKSA-N 315.225 -0.362 50 10 DBGE CN(C[C@]1(O)CCOC1)C(=O)c1scc(B(O)O)c1Cl 2281792976 NPMHGJYPPAUMIM-LLVKDONJSA-N 319.575 -0.695 50 10 DBGE CN(C)c1nc(CNC(=O)c2cc(B(O)O)sn2)cs1 2281884533 LAPNBQIQDNARPE-UHFFFAOYSA-N 312.185 -0.725 50 10 DBGE CN(C(=O)c1cc(B(O)O)cs1)C1CC(S(C)(=O)=O)C1 2281913240 NLRQPYBOPKGVBJ-UHFFFAOYSA-N 317.197 -0.925 50 10 DBGE C[C@@H]1CCC[C@]1(O)CNS(=O)(=O)c1ccc(B(O)O)s1 2282079627 YTVQDWIEABRWSA-KCJUWKMLSA-N 319.213 -0.743 50 10 DBGE O=S(=O)(NCC1(CF)CCC1)c1ccc(B(O)O)cc1 2282083185 NFJZZCMBUKCPMP-UHFFFAOYSA-N 301.148 -0.216 50 10 DBGE C[C@@]1(C#N)CCN(S(=O)(=O)Cc2ccsc2B(O)O)C1 2282332372 ZUSZSDWQEYBDLW-NSHDSACASA-N 314.197 -0.507 50 10 DBGE CC[C@H](NS(=O)(=O)Cc1ncsc1B(O)O)C1CCC1 2282342294 FSKIGBIWHZOMNZ-VIFPVBQESA-N 318.229 -0.179 50 10 DBGE O=S(=O)(c1ccc(F)c(B(O)O)c1)N1CCC[C@H]1CF 2282349380 XVLIGAQZYSVSKE-QMMMGPOBSA-N 305.111 -0.372 50 10 DBGE O=S(=O)(Cc1ccccc1B(O)O)N1C[C@H]2C[C@H]1CS2 2282352240 LUWYCBAVQFNLPW-WDEREUQCSA-N 313.209 -0.614 50 10 DBGE C[C@H]1CN(C)CC[C@H]1NS(=O)(=O)c1cscc1B(O)O 2282358168 VIJVEEKXJJFKCZ-WCBMZHEXSA-N 318.229 -0.954 50 10 DBGE O=S(=O)(NCCCC1CC1)c1ccc(B(O)O)c(F)c1 2282360843 IMWYYMDKNKZECR-UHFFFAOYSA-N 301.148 -0.026 50 10 DBGE COCC1(NS(=O)(=O)c2c(Cl)cccc2B(O)O)CC1 2282375181 LXIWXLZNMZCMFD-UHFFFAOYSA-N 319.575 -0.523 50 10 DBGE C=C(CS(=O)(=O)NC[C@]12C[C@](C(F)F)(CO1)C2)B(O)O 2282380889 PCOZFNIWXBTABD-MGCOHNPYSA-N 311.115 -0.712 50 10 DBGE CS(=O)(=O)[C@@H]1CC[C@H](NC(=O)c2cc(B(O)O)cs2)C1 2282386466 PEQBFPFLOPKEAP-DTWKUNHWSA-N 317.197 -0.877 50 10 DBGE Cc1sc(C)c(S(=O)(=O)N=c2cc[nH]cc2)c1B(O)O 2282415029 AUIQGJLWSCUEEF-UHFFFAOYSA-N 312.181 -0.338 50 10 DBGE C#CCN1CCN(C(=O)c2cc(B(O)O)c(Cl)s2)CC1 2282433918 CDPZCHAHBWBVPB-UHFFFAOYSA-N 312.587 -0.528 50 10 DBGE C[C@H](CC[S@@](C)=O)NC(=O)c1ncc(B(O)O)cc1Cl 2282436958 DEFJMBINCHFDRQ-JLPJYYFKSA-N 318.591 -0.698 50 10 DBGE O=S(=O)(N[C@H]1C[C@@H]2COC[C@@H]2C1)c1cc(B(O)O)cs1 2282703792 AWKSXZFAQTUPMN-MBTKJCJQSA-N 317.197 -0.869 50 10 DBGE O=S(=O)(c1cc(B(O)O)cs1)N1CC([C@@H]2CC2(F)F)C1 2282707687 BTMJRDHYLKWCJS-QMMMGPOBSA-N 323.151 -0.296 50 10 DBGE CC1(F)CC(CNS(=O)(=O)c2ccc(B(O)O)cc2)C1 2282717442 JPTKZCOKXVHEAX-UHFFFAOYSA-N 301.148 -0.217 50 10 DBGE CC1(C)COC[C@H]1NS(=O)(=O)Cc1ccsc1B(O)O 2282855973 LTJYHWMPVFGGAE-SECBINFHSA-N 319.213 -0.728 50 10 DBGE O=C(N[C@@H]1CCCC2(C1)OCCO2)c1cc(B(O)O)ccc1O 2282982435 DOGBRSZRENMTLK-LLVKDONJSA-N 321.138 -0.513 50 10 DBGE C[C@H]1CCC[C@H]1S(=O)(=O)Nc1ncc(B(O)O)cc1F 2283678394 NTRYNOCHBSUAPI-OIBJUYFYSA-N 302.136 -0.169 50 10 DBGE C=C(CS(=O)(=O)N[C@H](CCC(C)(C)C)C(=O)O)B(O)O 2284398543 ZFKAZYSXZDJHKQ-SECBINFHSA-N 307.177 -0.247 50 10 DBGE C=C(CS(=O)(=O)NCC1(CC(=O)O)CCCC1)B(O)O 2284402908 MNKNXIUJKWRDSV-UHFFFAOYSA-N 305.161 -0.491 50 10 DBGE Cc1cc(B(O)O)c(C(=O)N[C@@H](C(=O)O)C(F)(F)F)s1 2284434459 ZFWPOSQEZBQXJH-LURJTMIESA-N 311.046 -0.518 50 10 DBGE CC(C)C[C@H](CNC(=O)c1cc(B(O)O)sn1)C(=O)O 2284446537 ZCMJPBSNOVZPID-SSDOTTSWSA-N 300.145 -0.700 50 10 DBGE O=C(c1cc(B(O)O)c(F)cc1Cl)N1C[C@@H](O)[C@H](F)C1 2285922760 FRQMXIMIYSQMCX-NXEZZACHSA-N 305.473 -0.686 50 10 DBGE CCCN(C[C@@H](C)O)C(=O)c1nc(CC)sc1B(O)O 2288110445 YWZQOFWCDLAZPM-MRVPVSSYSA-N 300.189 -0.382 50 10 DBGE COC(=O)[C@@H](Br)CN1C[C@@H]2COC[C@]2(CO)C1 2298035531 SRPBLCUKPJFRIF-WCABBAIRSA-N 308.172 -0.136 50 10 DBGE N#CC(=CNc1ncccn1)C(=O)NCCN1CCNCC1 2325513260 AYDNKFZHRPXOAA-UHFFFAOYSA-N 301.354 -0.683 50 10 DBGE COCC[C@]1(C(=O)NN(C)S(=O)(=O)C2CC2)CCCN1 2365304738 OHUMPMLVVSNJBA-LBPRGKRZSA-N 305.400 -0.400 50 10 DBGE CO[C@@H]1CN(Cc2nscc2B(O)O)[C@H](CF)[C@H]1OC 2366485670 RVXRJUBABQXHLU-GMTAPVOTSA-N 304.152 -0.993 50 10 DBGE CC(C)N(CCO)CC(=O)N[C@H]1CS(=O)(=O)C[C@@H]1Cl 49826467 MFHJFHRRUNFDJZ-UWVGGRQHSA-N 312.819 -0.790 50 10 DBGE COCCN1CCC[C@@H]1CNC(=O)NNC(=O)C(F)(F)F 111864183 NLPVWECHPTUWFE-MRVPVSSYSA-N 312.292 -0.010 50 10 DBGE C[C@@H]1CC[C@H](N=C=O)CN1S(=O)(=O)CCS(C)(=O)=O 397147787 FZFMNJOQTQKDSR-ZJUUUORDSA-N 310.397 -0.451 50 10 DBGE C[C@H]1CN(Cc2ccoc2C(=O)NN)C[C@H](C)S1(=O)=O 400899853 QLIJQVYDBPFYIO-IUCAKERBSA-N 301.368 -0.110 50 10 DBGE COCCN1CCC[C@@H]1CNC(=O)c1ccc(B(O)O)cc1 584943716 VLXTWWZSCWSXDU-CQSZACIVSA-N 306.171 -0.793 50 10 DBGE CN(C)C[C@H](Br)CN(C)C(=O)CS(C)(=O)=O 690184299 ZRGGTBUKJDGCIZ-QMMMGPOBSA-N 315.233 -0.186 50 10 DBGE CCN1CCC(NC(=O)NNC(=O)[C@H]2COCCO2)CC1 745300950 WNAIPEUSKAYOED-LLVKDONJSA-N 300.359 -0.784 50 10 DBGE Cn1c(O)ncc(C(=O)NNC(=O)c2ccc(Cl)nc2)c1=O 751559924 KTNSFODBSWTCPY-UHFFFAOYSA-N 323.696 -0.391 50 10 DBGE CSCCNC(=S)NNC(=O)c1cccnc1C(N)=O 787490287 SEIYPFQGHGPTMW-UHFFFAOYSA-N 313.408 -0.348 50 10 DBGE O=C(CCc1ccccc1)NNC(=O)CN1CCOCC1=O 790617021 AOGQTRSMTSRSNY-UHFFFAOYSA-N 305.334 -0.375 50 10 DBGE CN(C)c1c(C=NNC(=O)c2ccoc2)c(=O)n(C)c(=O)n1C 807966735 FZOAJGXDEGPDDD-UHFFFAOYSA-N 319.321 -0.493 50 10 DBGE CO[C@](C)(C(=O)NNC(=O)[C@@H]1CCc2nncn2C1)C1CC1 816872489 KUZGXPCAIYWTBX-OTYXRUKQSA-N 307.354 -0.197 50 10 DBGE Cc1cc(C)n(CC(=O)NNC(=O)N[C@@H]2CNCC[C@@H]2C)n1 841976468 LXMQMUUXDDILPF-JOYOIKCWSA-N 308.386 -0.172 50 10 DBGE CC(C)CC(=O)NNC(=O)[C@H](C)N1C[C@@H]2C[C@H]1C[S@]2=O 844432753 HBURSCMDNFLFDI-NECJPBOMSA-N 301.412 -0.226 50 10 DBGE COC(=O)N(C)CCN(C)C(=O)NNC(=O)[C@@H]1CCO[C@H]1C 852394665 VXSMIDFNYMYVBV-VHSXEESVSA-N 316.358 -0.218 50 10 DBGE NC(=O)c1cccc2c1CCN(CC(=O)NNC(=O)C1CC1)C2 852755470 PIFJKGWHIOYACD-UHFFFAOYSA-N 316.361 -0.299 50 10 DBGE COc1ccc(C(=O)NNC(=O)[C@H]2CN(C)C(=O)N2)cc1OC 854180753 QPZJBLYHTPBFCY-SECBINFHSA-N 322.321 -0.512 50 10 DBGE CCS(=O)(=O)N[C@@H](C)C(=O)NNC(=O)[C@@H]1CCCS1 854985413 RANQRXDADHIMPB-YUMQZZPRSA-N 309.413 -0.643 50 10 DBGE CCC(=O)NNC(=O)[C@H](C)N1CC[C@H]2CC[C@@H](C1)[S@@]2=O 859889008 QSMCLWHITRXBSE-GLCJVEFJSA-N 301.412 -0.082 50 10 DBGE Cc1cccc2ncc(C(=O)NNC(=O)[C@H]3COCCO3)n12 906865968 BSXWZPBPDRABEW-LLVKDONJSA-N 304.306 -0.181 50 10 DBGE C[C@H](C(=O)NNC(=O)[C@H]1CCc2nncn2C1)[C@H]1CCCO1 908350183 WRSBALWFPLNMPY-GARJFASQSA-N 307.354 -0.197 50 10 DBGE C[C@]1(C(=O)NC[C@]2(CO)COCCN2)C[C@@H]1Br 913181047 FGCBIJMVAVMNGG-LSJOCFKGSA-N 307.188 -0.373 50 10 DBGE O=C(NNC(=O)c1cnn[nH]1)c1ccc(Cn2ccnn2)cc1 1136677574 XJRUZHNNGQMDBA-UHFFFAOYSA-N 312.293 -0.481 50 10 DBGE O=C(NCc1cnc(Cl)cn1)NNC(=O)[C@@H]1COCCO1 1254503547 UQMVFHSQIOEPIU-QMMMGPOBSA-N 315.717 -0.624 50 10 DBGE CC1=C(C(=O)NNc2nnc(C)n2C)S(=O)(=O)CCO1 1348384040 QXCOQXWZURGBSA-UHFFFAOYSA-N 301.328 -0.757 50 10 DBGE O=C(NCc1ccccc1)NNC(=O)c1cccc(B(O)O)c1 1466959807 KSGQPRUSEQOAJN-UHFFFAOYSA-N 313.122 -0.489 50 10 DBGE CS(=O)(=O)c1ccccc1C(=O)NNC(=O)c1cc[nH]n1 1470051557 SBDVNHTUFPKIEY-UHFFFAOYSA-N 308.319 -0.112 50 10 DBGE O=C(NCc1nc(O)c2c(n1)CCOC2)NNc1cccnn1 1479155701 CJRTXMNZUPFKCT-UHFFFAOYSA-N 317.309 -0.129 50 10 DBGE C[C@H](NC(=O)NNC(=O)[C@H]1CCCO1)[C@H]1CN(C)CCN1C 1519902377 MATFXKQLYSCQLL-QJPTWQEYSA-N 313.402 -0.870 50 10 DBGE Cn1cc(C(=O)NNC(=O)[C@H]2COCCO2)c(C(F)F)n1 1524184045 YKWFAEVEKNUWDO-SSDOTTSWSA-N 304.253 -0.466 50 10 DBGE COC(=O)c1ccc(CC(=O)NNC(=O)c2cccnn2)cn1 1558130572 DVNPUEKJSWSEQD-UHFFFAOYSA-N 315.289 -0.338 50 10 DBGE CNC(=O)c1ccc(C(=O)NNC(=O)c2ncccn2)cn1 1584132551 GBFGVUCNZZTGGB-UHFFFAOYSA-N 300.278 -0.694 50 10 DBGE O=C(NCc1nncn1-c1ccccc1)c1cccc(B(O)O)c1 1629819797 BBLSBOJXAFCEPL-UHFFFAOYSA-N 322.133 -0.123 50 10 DBGE CCC(C)(C)OCC(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 1631028995 HMWCMNDFEZYTKE-SECBINFHSA-N 321.399 -0.291 50 10 DBGE C[C@]1(C(=O)N2C[C@H](C(N)=O)[C@@H](C(N)=O)C2)C[C@H]1Br 1634100754 VEBVZQPWYDYQKA-GTIQIQKJSA-N 318.171 -0.795 50 10 DBGE NC(=O)C12CCC(CC1)N2C(=O)c1cc(B(O)O)ccc1F 1636420662 GDKUMBAXPVNMLY-UHFFFAOYSA-N 306.102 -0.872 50 10 DBGE CCC(CC)(CO)C(=O)NNC(=O)c1nc[nH]c2ncnc1-2 1637750544 CMHVRDSWUJUCNY-UHFFFAOYSA-N 306.326 -0.136 50 10 DBGE CCC(=O)NNC(=O)[C@H](C)N1CCC(CCO)(CCO)CC1 1648020570 XFTCFLADCNEJRT-LBPRGKRZSA-N 315.414 -0.221 50 10 DBGE COC[C@@]1(CO)CCN([C@@H](C)C(=O)NNC(=O)CC(C)C)C1 1658677229 RYYKSNHVGJFWBP-WFASDCNBSA-N 315.414 -0.101 50 10 DBGE O=C(NCCCc1nc[nH]n1)NNC(=O)c1cccc(F)n1 1674228281 OMYCNVCFTACKBP-UHFFFAOYSA-N 307.289 -0.084 50 10 DBGE Cc1nnc(NNC(=O)N[C@@H]2C[C@H]3CCCCN3C2=O)n1C 1681789876 FNLZNADHMPZYFY-NXEZZACHSA-N 307.358 -0.097 50 10 DBGE CC[C@H](NS(=O)(=O)CI)C(N)=O 1880567442 KEKQMYDCWXQFDB-BYPYZUCNSA-N 306.125 -0.438 50 10 DBGE CS[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCB(O)O 1884271313 VMSNOSTXOWRTJD-JGVFFNPUSA-N 306.193 -0.241 50 10 DBGE COC(=O)CN(C)S(=O)(=O)NC[C@@H]1C[C@H]1Br 1897161093 CVLPVEYHJWWRJT-NKWVEPMBSA-N 315.189 -0.291 50 10 DBGE Cn1cnc(B(O)O)c1C(=O)N1CCCN1C(=O)OC(C)(C)C 1900393871 HAZAUPFPIPDLAD-UHFFFAOYSA-N 324.146 -0.902 50 10 DBGE COC(=O)[C@H](Br)CN1C[C@@H](N)CC[C@H]1C(=O)O 1909077023 SQAGMCFFOXKUBU-RNJXMRFFSA-N 309.160 -0.201 50 10 DBGE CC(=O)NNC(=O)CO[C@H](CNC(=O)OC(C)(C)C)C(=O)O 1974861970 YLCNFNKOTMJVFM-MRVPVSSYSA-N 319.314 -0.852 50 10 DBGE C[C@@H](Cl)[C@@H](C)NS(=O)(=O)N1CCS(=O)(=O)CC1 1999957068 SWZRTSJZLAJZNG-HTQZYQBOSA-N 304.821 -0.433 50 10 DBGE OC[C@H](O)CN1CCCN(C[C@H](O)CBr)CC1 2008648260 JKMNTFIZNPQNJR-GHMZBOCLSA-N 311.220 -0.897 50 10 DBGE CN1C[C@H](Br)[C@@H](NC(=O)C2COCCOC2)C1 2024259181 JXTQROXTRSRVIX-UWVGGRQHSA-N 307.188 -0.157 50 10 DBGE OB(O)c1cnc(N2C[C@H]3CO[C@@H](C3)C2)c(Br)c1 2052625533 ZNXDFZSFIPEOSW-CBAPKCEASA-N 312.960 -0.251 50 10 DBGE COc1ccc(I)c([N+](=O)[O-])c1B(O)O 2060113632 QAKUUBQSFKZNQO-UHFFFAOYSA-N 322.851 -0.112 50 10 DBGE O=Cc1ccc([N+](=O)[O-])c(B(O)O)c1I 2060254876 KFHKJGYKLXVFSL-UHFFFAOYSA-N 320.835 -0.308 50 10 DBGE NC(=O)CC[C@@H](NC(=O)NC[C@H]1C[C@@H]1Br)C(=O)O 2076193469 IPDHUGFYGDOJQQ-DSYKOEDSSA-N 322.159 -0.212 50 10 DBGE CC1(C)C[C@H](S(C)(=O)=O)CN1c1nc(B(O)O)cs1 2123306717 VPOQDYRUJPKWJZ-ZETCQYMHSA-N 304.202 -0.775 50 10 DBGE CN(Cc1ccc(C(=O)NN)o1)[C@H]1CS(=O)(=O)C1(C)C 2153843777 YQEBLBUSDOMSRM-JTQLQIEISA-N 301.368 -0.110 50 10 DBGE O=C(N[C@@H]1CS(=O)(=O)C[C@H]1Cl)[C@H]1CCc2nncn2C1 2177810882 YYOCWBZHQQPFBS-DJLDLDEBSA-N 318.786 -0.639 50 10 DBGE COC(C)(C)CS(=O)(=O)N[C@H](C)c1cscc1B(O)O 2186635662 KBCPNMPNMNXTSC-MRVPVSSYSA-N 321.229 -0.167 50 10 DBGE CCc1cc(B(O)O)ccc1OC[C@@H](C)CS(C)(=O)=O 2197464283 JILACWOUYDSOCK-SNVBAGLBSA-N 300.185 -0.012 50 10 DBGE CNCC(C)(C)Oc1ncc(Br)cc1B(O)O 2217173807 QPDUICVEAJEHPU-UHFFFAOYSA-N 302.965 -0.099 50 10 DBGE Cn1nnc(C(=O)N2C[C@@H]3CCO[C@@]3(CBr)C2)n1 2223469025 ITEPXTNVAHRAHE-XVKPBYJWSA-N 316.159 -0.164 50 10 DBGE C[C@H]1CCNC[C@@H]1Oc1ncc(Br)cc1B(O)O 2223619503 YOALQGADBFHLCI-XVKPBYJWSA-N 314.976 -0.099 50 10 DBGE C[C@H]1C[C@@H]1N(CCO)c1ncc(Br)cc1B(O)O 2223677261 LWAGJBBCSQYZHV-XVKPBYJWSA-N 314.976 -0.269 50 10 DBGE CC1(C)C[C@@H](S(C)(=O)=O)CN1Cc1nscc1B(O)O 2235501367 LIDKGZZZXFVAQW-MRVPVSSYSA-N 318.229 -0.780 50 10 DBGE O=S(=O)(C[C@H]1CCCO1)Nc1nc(B(O)O)ccc1Cl 2241205354 BJUDPVCWLIIREO-SSDOTTSWSA-N 320.563 -0.665 50 10 DBGE CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](NC(=O)C#CB(O)O)C[C@H]1C2 2243399480 MMDSVCQMMWGPCM-QJPTWQEYSA-N 322.170 -0.094 50 10 DBGE O=S1(=O)CC[C@@H]2CN(S(=O)(=O)N3CC(Cl)C3)C[C@H]21 2254120569 AIBZCODZDCOUIU-VXNVDRBHSA-N 314.816 -0.727 50 10 DBGE O=S1(=O)CCC[C@H](NS(=O)(=O)N2CC(Cl)C2)CC1 2254219835 QJUBOZGVBONFJS-VIFPVBQESA-N 316.832 -0.289 50 10 DBGE O=C(N=S1(=O)CCOCC1)c1scc(B(O)O)c1Cl 2266977433 LNAIOXBURQJLOJ-UHFFFAOYSA-N 323.588 -0.280 50 10 DBGE CN(C)[C@H]1CCN(C(=O)c2scc(B(O)O)c2Cl)C1 2266981850 MAKKLYQPUUVQNB-ZETCQYMHSA-N 302.592 -0.143 50 10 DBGE CCSC1CN(C(=O)c2ncc(B(O)O)cc2Cl)C1 2267063166 UXGMDARFUAFVII-UHFFFAOYSA-N 300.576 -0.008 50 10 DBGE CO[C@H](CNS(=O)(=O)c1sccc1B(O)O)C(C)C 2267209692 ADJRBTCNVNJHKC-SECBINFHSA-N 307.202 -0.623 50 10 DBGE CON(CC(C)C)S(=O)(=O)Cc1ccsc1B(O)O 2267374080 MGHPCIFTSNHNSI-UHFFFAOYSA-N 307.202 -0.223 50 10 DBGE O=S(=O)(NC[C@H]1C[C@@H]1Cl)c1ccc(F)c(B(O)O)c1 2267376924 CJBIUJSKJDDAAG-MUWHJKNJSA-N 307.539 -0.589 50 10 DBGE C#C[C@H](CC)NS(=O)(=O)c1c(Cl)cccc1B(O)O 2267386684 XLTPSMXZWNMGBH-MRVPVSSYSA-N 301.560 -0.290 50 10 DBGE CO[C@@H](C)CNS(=O)(=O)c1c(Cl)cccc1B(O)O 2267389482 PCYYXRQXNXYNSL-ZETCQYMHSA-N 307.564 -0.667 50 10 DBGE O=C(c1cc(B(O)O)c(Cl)s1)N1C[C@H]2COCC[C@H]21 2267399444 IJDAGCMJQMDYIJ-POYBYMJQSA-N 301.560 -0.058 50 10 DBGE Cc1cc(S(=O)(=O)N2CCC=C(F)C2)sc1B(O)O 2267410249 GYILYZHHBLJCNN-UHFFFAOYSA-N 305.161 -0.016 50 10 DBGE Cc1nc(C(=O)N2CCSC[C@H](C)C2)c(B(O)O)s1 2267440063 AMBHRFMKINALRT-SSDOTTSWSA-N 300.214 -0.044 50 10 DBGE CC1(C(N)=O)CN(C(=O)c2scc(B(O)O)c2Cl)C1 2267446661 XGFHPOSHLYYQQY-UHFFFAOYSA-N 302.548 -0.971 50 10 DBGE CS(=O)(=O)[C@H]1CSCCN1C(=O)C1CC(B(O)O)C1 2267449047 HTEUXCOBOJRHFO-HACHORDNSA-N 307.202 -0.815 50 10 DBGE O=C(N[C@@H]1COC2CC1C2)c1scc(B(O)O)c1Cl 2267450458 BMMYJMWKLDXTBO-NPWHJSNTSA-N 301.560 -0.012 50 10 DBGE O=C(N[C@@H](CCO)C1CC1)c1scc(B(O)O)c1Cl 2267453434 KRQPKNDPZXHKLR-QMMMGPOBSA-N 303.576 -0.028 50 10 DBGE C[C@@H](NS(=O)(=O)c1sccc1B(O)O)[C@H]1CCOC1 2267610457 FONHWNZTIRZEAY-SFYZADRCSA-N 305.186 -0.869 50 10 DBGE O=S(=O)(c1cc(B(O)O)cs1)N1CC[C@H]2C[C@@]2(F)C1 2267615373 BOXNJRHUYCBWBK-OIBJUYFYSA-N 305.161 -0.450 50 10 DBGE CO[C@H]1CC[C@H](NS(=O)(=O)c2ccc(B(O)O)s2)C1 2267615691 HRCJWAMCVONDSA-YUMQZZPRSA-N 305.186 -0.726 50 10 DBGE C[C@H](CCCO)NS(=O)(=O)Cc1ccsc1B(O)O 2267627811 DCRDRIOTMLXVIM-MRVPVSSYSA-N 307.202 -0.992 50 10 DBGE C[C@H]1[C@@H](C)[C@@H]1CNS(=O)(=O)Cc1ccsc1B(O)O 2267718733 XBVJDSDFPHDZLD-MBTKJCJQSA-N 303.214 -0.251 50 10 DBGE C[S@](=O)(CCC(=O)O)=NC(=O)c1cc(B(O)O)cs1 2269063398 HKWRZEOLUXKWMG-IBGZPJMESA-N 305.142 -0.859 50 10 DBGE CCSC[C@H](NC(=O)c1csc(B(O)O)c1)C(=O)O 2269067430 QRDJDUOKFQUSLX-ZETCQYMHSA-N 303.170 -0.636 50 10 DBGE CCOC[C@@H](O)CNC(=O)c1c(Cl)cccc1B(O)O 2281626322 MYRIAOFEFMTFHM-QMMMGPOBSA-N 301.535 -0.853 50 10 DBGE NCCCOCCNC(=O)c1c(Cl)cccc1B(O)O 2281628722 SGGJHRNADZFUPP-UHFFFAOYSA-N 300.551 -0.885 50 10 DBGE N[C@H](CNC(=O)c1cccc(B(O)O)c1Cl)C(F)(F)F 2281703564 ZKWMARIDIRMSLQ-SSDOTTSWSA-N 310.468 -0.361 50 10 DBGE CCn1cc(B(O)O)cc1C(=O)NCCCC[S@@](C)=O 2281721970 WYRWNJSACCLTNX-HXUWFJFHSA-N 300.189 -0.924 50 10 DBGE O=C(c1sccc1B(O)O)N1CC(OCC(F)(F)F)C1 2281767947 MLSFEEKWQVABJN-UHFFFAOYSA-N 309.074 -0.169 50 10 DBGE CCc1nn(C)c(C(=O)N(C)CP(C)(C)=O)c1B(O)O 2281847114 IKIYBLSZPBHNQF-UHFFFAOYSA-N 301.092 -0.686 50 10 DBGE CO[C@H]1COCC[C@@H]1NC(=O)c1cc(B(O)O)c(Cl)s1 2281913010 MATOXOKWOHJBCP-YUMQZZPRSA-N 319.575 -0.385 50 10 DBGE Cc1nc(CCNS(=O)(=O)c2cc(B(O)O)cs2)co1 2282069781 VBYJZYXUBHZDBY-UHFFFAOYSA-N 316.169 -0.755 50 10 DBGE CO[C@@H]1CC[C@@H]1CCNS(=O)(=O)c1cc(B(O)O)cs1 2282071617 UEUKEZLNNDRCAT-PSASIEDQSA-N 319.213 -0.479 50 10 DBGE NC[C@H]1CCCC[C@H]1NS(=O)(=O)c1cc(B(O)O)cs1 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BOXDQXSPKWAIFK-KWQFWETISA-N 301.198 -0.043 50 10 DBGE CC(C)CCN(C)S(=O)(=O)Cc1ncsc1B(O)O 2267626229 DKYZBORLLAWRMY-UHFFFAOYSA-N 306.218 -0.369 50 10 DBGE C#CCN(OC)S(=O)(=O)c1ccc(Cl)c(B(O)O)c1 2270642706 GYCHXNTYAKYOEM-UHFFFAOYSA-N 303.532 -0.795 50 10 DBGE CON(CC1CCC1)S(=O)(=O)c1cscc1B(O)O 2273232206 ZXSGEOOTOVNKCT-UHFFFAOYSA-N 305.186 -0.220 50 10 DBGE CCCN(CCOC)C(=O)c1nn(C)c(Cl)c1B(O)O 2281659326 CTHLQMIOKBXLIE-UHFFFAOYSA-N 303.555 -0.748 50 10 DBGE O=C(N[C@@H]1CCCCC12OCCO2)c1ncc(B(O)O)cc1F 2281661987 OWRANCZUSUAEQX-LLVKDONJSA-N 324.117 -0.684 50 10 DBGE CO[C@H]1CN(C(=O)c2ccc(Cl)c(B(O)O)c2)C[C@H]1F 2281701349 MUIPZWCCHILBMG-MNOVXSKESA-N 301.510 -0.171 50 10 DBGE O=C(c1cccc(B(O)O)c1F)N1CCC(C2OCCO2)CC1 2281708002 LXSCYJUMAOGJEO-UHFFFAOYSA-N 323.129 -0.269 50 10 DBGE O=C(N[C@H]1CCCC2(C1)OCCO2)c1ccc(B(O)O)cc1F 2281708708 WCCCGERSPYPMAS-NSHDSACASA-N 323.129 -0.079 50 10 DBGE O=S(=O)(NCCCc1cn[nH]c1)c1sccc1B(O)O 2282078327 HDPLPVFYRDGRHJ-UHFFFAOYSA-N 315.185 -0.938 50 10 DBGE CS[C@@H](CNS(=O)(=O)c1ccccc1B(O)O)C1CC1 2282102095 HLEPCYUQOPKFJZ-NSHDSACASA-N 315.225 -0.214 50 10 DBGE CO[C@H]1CCOC[C@@H]1NC(=O)c1scc(B(O)O)c1Cl 2282144732 BNUPGQFKGRPRMX-YUMQZZPRSA-N 319.575 -0.385 50 10 DBGE O=C(NC[C@@H](F)C1CCNCC1)c1sccc1B(O)O 2282221610 ZXINKELBZKCNEC-SNVBAGLBSA-N 300.164 -0.505 50 10 DBGE CCCn1cc(B(O)O)cc1C(=O)N[C@@H](C)C[S@@](C)=O 2282246590 TZORGUGHFZWYCE-GWNMQOMSSA-N 300.189 -0.925 50 10 DBGE COC1(CNS(=O)(=O)c2cc(C)c(B(O)O)s2)CCC1 2282354510 RGTAHCVTRLTILN-UHFFFAOYSA-N 319.213 -0.416 50 10 DBGE C=C(CS(=O)(=O)N1CCC[C@H]([C@@H]2CCCO2)C1)B(O)O 2282360053 XBENWOIZLVZODE-RYUDHWBXSA-N 303.189 -0.225 50 10 DBGE CC1(C)C[C@@H]1CNS(=O)(=O)c1ccc(B(O)O)cc1F 2282370019 OQDZYQNAPMHIKD-MRVPVSSYSA-N 301.148 -0.170 50 10 DBGE CCO[C@H](C)CNS(=O)(=O)c1ccc(C)cc1B(O)O 2282373498 NJLUGZAKYQGQDW-SNVBAGLBSA-N 301.173 -0.622 50 10 DBGE C=C(CS(=O)(=O)N(C)[C@H](C)[C@@H]1C[C@@H]2CCO[C@@H]12)B(O)O 2282375463 PREXOBJTDVUFAU-NOOOWODRSA-N 303.189 -0.370 50 10 DBGE Cc1sc(B(O)O)cc1S(=O)(=O)N(CCO)[C@H]1C[C@@H]1C 2282380578 KXXBCKNPDSXIEW-CBAPKCEASA-N 319.213 -0.872 50 10 DBGE CO[C@H](CNS(=O)(=O)Cc1ccsc1B(O)O)C(C)C 2282417540 CMFWXBANCICKAF-SNVBAGLBSA-N 321.229 -0.482 50 10 DBGE CCn1cc(B(O)O)c(C(=O)N2CC(SC(F)F)C2)n1 2282432797 NMFOBNFOOQDNQL-UHFFFAOYSA-N 305.115 -0.637 50 10 DBGE COC(OC)[C@@H](C)NC(=O)c1sc(C)c(C)c1B(O)O 2282479827 XUUCQQZGBGFKJB-SSDOTTSWSA-N 301.173 -0.218 50 10 DBGE Cc1ccc(B(O)O)cc1S(=O)(=O)NCc1nccs1 2282738961 BMZMKHZPNOVKIS-UHFFFAOYSA-N 312.181 -0.390 50 10 DBGE CC[C@@]1(C)CC(=O)N1S(=O)(=O)Cc1ncsc1B(O)O 2282743851 UTPWRYPKRUQIEW-JTQLQIEISA-N 318.185 -0.946 50 10 DBGE C[C@H]1C[C@]1(F)CN(C)S(=O)(=O)Cc1ncsc1B(O)O 2282849765 GQTAGRNIBPITGP-XVKPBYJWSA-N 322.192 -0.667 50 10 DBGE C[C@H]1[C@@H](N)CCCN1S(=O)(=O)Cc1ccsc1B(O)O 2282867969 GUPMRPSIEWENPH-WPRPVWTQSA-N 318.229 -0.931 50 10 DBGE O=S(=O)(Nc1ccc(F)c(F)c1B(O)O)c1cncs1 2283348195 UKIJZJNORIJSOQ-UHFFFAOYSA-N 320.107 -0.098 50 10 DBGE O=C(N[C@H]1C[C@@H]([C@@H](F)C(=O)O)C1)c1cc(B(O)O)cs1 2284471783 VMXRURYSLGPTAZ-XZKCWBSRSA-N 301.104 -0.641 50 10 DBGE Cc1cc(B(O)O)cnc1C(=O)N[C@H]1CCCCC12OCCO2 2285195403 BDCRMIOGBCYCFI-LBPRGKRZSA-N 320.154 -0.515 50 10 DBGE CSC1(C(=O)O)CN(C(=O)c2sccc2B(O)O)C1 2336964116 XWCBIBWIJOUCEB-UHFFFAOYSA-N 301.154 -0.930 50 10 DBGE CC(C)[C@@H](CO)N(C)S(=O)(=O)c1sccc1B(O)O 2341312546 JBOBATUKZOXWJO-SECBINFHSA-N 307.202 -0.935 50 10 DBGE CS(=O)(=O)c1cscc1C(=O)N1CC[C@@H](B(O)O)C1 2342482862 YLMSYTCTBBHVMK-SSDOTTSWSA-N 303.170 -0.160 50 10 DBGE CS(=O)(=O)N1CC[C@H](OCCC[C@H]2C[C@@H]2C(=O)NN)C1 2362611054 IHVDMVYUMFAPLC-DCAQKATOSA-N 305.400 -0.557 50 10 DBGE CNc1cnc([N+](=O)[O-])cc1C(=O)NN(C)S(C)(=O)=O 2365257766 BPPHDYWMPUSYNP-UHFFFAOYSA-N 303.300 -0.432 50 10 DBGE CC(C)[C@@H](C)[C@@H](C)NS(=O)(=O)Cc1ncsc1B(O)O 2365469805 YLCBLXGXLCWXBF-RKDXNWHRSA-N 320.245 -0.077 50 10 DBGE Cn1nc(C(=O)N2CC[C@@H](SC(F)F)C2)cc1B(O)O 2365645420 NTFQGGTYRWKPMO-ZCFIWIBFSA-N 305.115 -0.730 50 10 DBGE CS(=O)(=O)CCS(=O)(=O)NC1(CCl)CCOCC1 230748446 FQBFNMMBKMHNBK-UHFFFAOYSA-N 319.832 -0.262 50 10 DBGE O=C(NC[C@@H](O)c1ccsc1)NNC(=O)[C@H]1COCCO1 266700537 CNZWKPIJQKWIJG-NXEZZACHSA-N 315.351 -0.473 50 10 DBGE CN1CCC[C@@H]1[C@H]1COCCN1C(=O)c1ccc(B(O)O)cc1 584993138 UAPKJVOYGSNDSC-HUUCEWRRSA-N 318.182 -0.698 50 10 DBGE COCC(COC)S(=O)(=O)N1CCOC[C@H](Cl)C1 688544974 OSAKSHDRVWSNDW-SECBINFHSA-N 301.792 -0.083 50 10 DBGE O=S(=O)(CCOc1cc(B(O)O)ccc1F)C(F)(F)F 694045510 MEXCQWXOTQTNKS-UHFFFAOYSA-N 316.037 -0.181 50 10 DBGE NNC(=O)C(=O)N1CC[C@@]2(CN(Cc3ccccc3)CCO2)C1 717452564 WSYJMWXTKVOXAE-MRXNPFEDSA-N 318.377 -0.520 50 10 DBGE C[C@H]1CCC[C@@H](S(=O)(=O)NCc2cnc(B(O)O)s2)C1 718829530 FGFGMFIILWIVCF-WCBMZHEXSA-N 318.229 -0.179 50 10 DBGE O=C(CCc1cccc2c1OCO2)NNC(=O)[C@@H]1COCCO1 769961421 FGLRAVOEEARNNN-LBPRGKRZSA-N 322.317 -0.089 50 10 DBGE CCOc1cccc(CC(=O)NNC(=O)[C@H]2COCCO2)n1 797903351 CDPBKVRWJSMTKN-LLVKDONJSA-N 309.322 -0.414 50 10 DBGE O=C(NNC(=O)N1CC[C@H](O)C12CCCC2)[C@@H]1COCCO1 814371194 KCXHMLPVDNIDKG-QWRGUYRKSA-N 313.354 -0.478 50 10 DBGE COc1ccc(NNC(=O)[C@H]2CCN(C)S2(=O)=O)nc1 843861749 ZQRGQMXBEDVPTG-SECBINFHSA-N 300.340 -0.433 50 10 DBGE Cn1cc(C=NNC(=O)[C@H]2C[C@H]3CC[C@H]2O3)c(=O)n(C)c1=O 844613870 PJVQTGQDLHYGBX-OUAUKWLOSA-N 306.322 -0.898 50 10 DBGE Cc1csc(CC(=O)NNC(=O)CN2CCC3(COC3)C2)n1 852683602 MCYPCWJZQJEPKA-UHFFFAOYSA-N 324.406 -0.136 50 10 DBGE O=C(NNC(=O)[C@@H]1CCCCO1)c1ccc2c(c1)B(O)OC2 863884011 VHKFUNQIKBZFRC-LBPRGKRZSA-N 304.111 -0.766 50 10 DBGE COC(=O)[C@H]1[C@H]2C=C[C@@H](CC2)[C@H]1C(=O)NNC(=O)CN(C)C 894135466 ZSMFTTGGTNBJMF-DJIHRAIXSA-N 309.366 -0.303 50 10 DBGE C[C@@H](O)CN(C)NC(=O)c1ccc(CN2CCOCC2)cn1 910149657 IHJZGPOCELMXKP-GFCCVEGCSA-N 308.382 -0.129 50 10 DBGE CNC(=O)NCC(=O)NNc1cc(Br)ncn1 1154198666 NDBGTHQFJFSTGI-UHFFFAOYSA-N 303.120 -0.389 50 10 DBGE Cc1ccccc1NC(=O)NNC(=O)CN1CCNC(=O)C1 1155944200 KRTCYDLPHCLIOW-UHFFFAOYSA-N 305.338 -0.420 50 10 DBGE O=C(NCc1cnn(CCF)c1)NNC(=O)[C@@H]1COCCO1 1255974164 MDSLOEOIGOYQAD-JTQLQIEISA-N 315.305 -0.902 50 10 DBGE C[C@H](O)CN(C)NC(=O)C[C@H](O)CNC(=O)OC(C)(C)C 1299012043 ZYZIYDQVQAYMCN-UWVGGRQHSA-N 305.375 -0.394 50 10 DBGE C[C@H]1OCC[C@@H]1C(=O)NNC(=O)Cc1ccc(C(N)=O)nc1 1331878663 MYDWANVLTBZHSU-SCZZXKLOSA-N 306.322 -0.705 50 10 DBGE C[C@@H]1OCC[C@@H]1C(=O)NNS(=O)(=O)c1cnc2n1CCC2 1349303620 YNAXNZNOCZOHKQ-IUCAKERBSA-N 314.367 -0.436 50 10 DBGE COCCn1cc(C(=O)NNC(=O)c2cn[nH]c2)ccc1=O 1438034155 DSAUMQPONIGIGD-UHFFFAOYSA-N 305.294 -0.707 50 10 DBGE CN1C(=O)CS/C1=C/C(=O)NNC(=O)Cc1ccncc1 1445261985 NNAPMWYZMKOEBG-NTUHNPAUSA-N 306.347 -0.182 50 10 DBGE CCO[C@@H]1COCC[C@H]1CC(=O)NNC(=O)[C@@H]1CCC(=O)N1 1533745121 VMIQXSQOHGVFRR-GARJFASQSA-N 313.354 -0.756 50 10 DBGE CC(C)CS(=O)(=O)CCC(=O)NNC(=O)c1ncon1 1538716956 UEJCJEHJBIJUMQ-UHFFFAOYSA-N 304.328 -0.709 50 10 DBGE CN(C)S(=O)(=O)CCC(=O)NNC(=O)Cc1ccsc1 1543544844 HIXVYWYVSPNIQA-UHFFFAOYSA-N 319.408 -0.281 50 10 DBGE Cn1cc(/C=C(/C#N)C(=O)N2CCCN(C(N)=O)CC2)cn1 1584274309 HSWSISMGXHLCNY-GHXNOFRVSA-N 302.338 -0.060 50 10 DBGE CNC(=O)NNC(=O)c1cc(S(C)(=O)=O)ncc1Cl 1597341090 NXPFSGMKQMVEJN-UHFFFAOYSA-N 306.731 -0.288 50 10 DBGE COC(CN(CCCO)CC(=O)NNC(=O)C(C)C)OC 1617154547 JLMGYUDGFXQIIY-UHFFFAOYSA-N 305.375 -0.907 50 10 DBGE COC(=O)[C@@H]1CO[C@H](CCC(=O)NNC(=O)c2cn[nH]c2)C1 1623390640 WSOZMANNNLVRBJ-WCBMZHEXSA-N 310.310 -0.471 50 10 DBGE COCCOCCc1ncc(C(=O)NNC(=O)NC2CC2)[nH]1 1631169284 ZTXOUVFIJXTETB-UHFFFAOYSA-N 311.342 -0.278 50 10 DBGE O=C(NCC(F)(F)F)NNC(=O)c1cnn2c(=O)cc[nH]c12 1635262838 JXGFOHWOKJILCP-UHFFFAOYSA-N 318.215 -0.471 50 10 DBGE O=C(CCc1ccon1)NNC(=O)c1nc[nH]c2ncnc1-2 1645049903 BILGLVLCKLNGPE-UHFFFAOYSA-N 301.266 -0.314 50 10 DBGE CCO[C@@H]1C[C@H](NC(=O)NNC(=O)c2cccnn2)[C@@H]1OC 1681556305 JHGJKPFGSCRIBX-AXFHLTTASA-N 309.326 -0.387 50 10 DBGE O=C(N[C@@H]1CS(=O)(=O)C[C@@H]1Br)[C@@]12COC[C@@H]1C2 1907803389 BVGBCUWWNDQWFC-OORONAJNSA-N 324.196 -0.300 50 10 DBGE CCS(=O)(=O)N1CCN(C[C@@H](O)CBr)CC1 1935532303 KQFQFIAHTBZNMW-VIFPVBQESA-N 315.233 -0.291 50 10 DBGE COC1(CBr)CN(C[C@H]2CCS(=O)(=O)N2)C1 1940014653 IXYAVJRFHRKUOC-MRVPVSSYSA-N 313.217 -0.226 50 10 DBGE C[C@@H]1CN(C(=O)c2cc(B(O)O)ccc2Cl)CC[S@]1=O 1970338338 MHUMHMXRPHMRHQ-ZPWHCFADSA-N 315.587 -0.387 50 10 DBGE CN(CC(=O)N1CCNCC1)C(=O)[C@H]1C[C@H]1Br 2020150762 UQTYEFVTZWGZQP-DTWKUNHWSA-N 304.188 -0.340 50 10 DBGE O=S1(=O)CCN(S(=O)(=O)NC[C@H]2C[C@H]2CCl)CC1 2053964325 AIOLKULRJLZAED-DTWKUNHWSA-N 316.832 -0.574 50 10 DBGE O=C(NC1CC(Br)C1)N[C@@H]1C(=O)NC[C@H]1C(=O)O 2063143530 DKQAGCPOCKYELI-KBGZMJGOSA-N 320.143 -0.589 50 10 DBGE O=C(N[C@@H]1CS(=O)(=O)C[C@H]1Cl)c1cn(C2CC2)nn1 2097607129 JVVCQSUNJMKCRN-VXNVDRBHSA-N 304.759 -0.253 50 10 DBGE COC[C@H](C)S(=O)(=O)NCc1scc(C)c1B(O)O 2100797969 VRALMLUDKZODDU-QMMMGPOBSA-N 307.202 -0.809 50 10 DBGE C[C@H](CCl)N1CCN(S(=O)(=O)N2CCOCC2)CC1 2113067206 XOUUOMFBEZXOCD-LLVKDONJSA-N 311.835 -0.192 50 10 DBGE NNC(=O)c1cc(CN2CC[C@H]3CS(=O)(=O)C[C@H]32)cs1 2151273724 QGRSEPCLEUQGFS-VHSXEESVSA-N 315.420 -0.030 50 10 DBGE CS(=O)(=O)CS(=O)(=O)N1CCC2(CCC2)[C@H](N=C=O)C1 2152510266 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C[S@](=O)(=NC(=O)c1sccc1B(O)O)[C@H]1CCNC1 2267303128 UMJGHQBTKKDPRG-ZDVLTJLQSA-N 302.186 -0.972 50 10 DBGE O=C(Nc1ncc([N+](=O)[O-])s1)c1csnc1B(O)O 2267362294 PNXAHFFPYMMTOH-UHFFFAOYSA-N 300.086 -0.560 50 10 DBGE CC[S@](C)(=O)=NS(=O)(=O)c1ccc(B(O)O)cc1F 2267377088 FJMULEXVWFZEDT-SFHVURJKSA-N 309.149 -0.688 50 10 DBGE C[C@@H](C#N)CNS(=O)(=O)c1ccc(Cl)c(B(O)O)c1 2267381244 RNGJWIJNBBLYCO-ZETCQYMHSA-N 302.548 -0.542 50 10 DBGE C[C@H](NS(=O)(=O)c1cscc1B(O)O)c1csnn1 2267384882 GRHWJEJCHIPYRF-YFKPBYRVSA-N 319.198 -0.681 50 10 DBGE O=S(=O)(c1ccc(B(O)O)cc1Cl)N1CC=C(F)C1 2267420452 YCUSEYGTEHLGRS-UHFFFAOYSA-N 305.523 -0.123 50 10 DBGE O=C(c1scc(B(O)O)c1Cl)N1CC[C@H]2COC[C@H]21 2267457561 OZHNCOWPLWLQKH-POYBYMJQSA-N 301.560 -0.058 50 10 DBGE CC[C@@]12C[C@H]1CN(S(=O)(=O)c1cc(B(O)O)cs1)C2 2267609710 UVIGNHFGMZDCNO-KWQFWETISA-N 301.198 -0.152 50 10 DBGE COC[C@H](C)CN(C)S(=O)(=O)c1sccc1B(O)O 2267611042 NMHAMPXVSFEJLD-MRVPVSSYSA-N 307.202 -0.669 50 10 DBGE C[C@@H]1COCCCN1S(=O)(=O)c1cc(B(O)O)cs1 2267611219 PTZYPAGDBHKMEH-MRVPVSSYSA-N 305.186 -0.773 50 10 DBGE CCOC1(CNS(=O)(=O)c2ccc(B(O)O)s2)CC1 2267612924 QPPMYYLWTPGRFJ-UHFFFAOYSA-N 305.186 -0.725 50 10 DBGE Cc1sc(B(O)O)cc1S(=O)(=O)N1C[C@@H](C)[C@@H](F)C1 2267625524 RAVLMPPSIKXTSG-SVRRBLITSA-N 307.177 -0.285 50 10 DBGE C=C(CS(=O)(=O)N1CCc2ncsc2CC1)B(O)O 2271711518 ZHGLCYSLPGABNE-UHFFFAOYSA-N 302.186 -0.558 50 10 DBGE C[P@]1(=O)C[C@H](N)[C@@H](Oc2cc(B(O)O)c(Cl)cn2)C1 2277604551 LMLCZJRERRCDGS-OWXODZSWSA-N 304.479 -0.504 50 10 DBGE CCn1cc(C(=O)NCCC2SCCS2)nc1B(O)O 2281639958 PGAMDTWGMZTKPL-UHFFFAOYSA-N 315.229 -0.491 50 10 DBGE O=C(N[C@@H](CCO)C(F)F)c1cccc(B(O)O)c1Cl 2281701365 MYDLZHRAUHXHKY-QMMMGPOBSA-N 307.489 -0.234 50 10 DBGE N[C@H]1CC[S@](=O)(=NC(=O)c2ccc(B(O)O)c(Cl)c2)C1 2281702992 YCICATWSZGMFMW-FFVOIRBGSA-N 316.575 -0.641 50 10 DBGE CS[C@@H]1COC[C@H]1NC(=O)c1cc(Cl)ccc1B(O)O 2281710909 GOZLAYVADITTOU-GHMZBOCLSA-N 315.587 -0.120 50 10 DBGE Cc1cc(C(=O)NC[C@H](CO)C(F)(F)F)c(B(O)O)s1 2281887948 YABUSJHRYUHQCY-ZCFIWIBFSA-N 311.090 -0.363 50 10 DBGE N[C@@]1(CO)CCCN(C(=O)c2cc(B(O)O)c(Cl)s2)C1 2281919295 CRSZTDUCAJLSTH-NSHDSACASA-N 318.591 -0.993 50 10 DBGE CC[C@H](C)[C@@H](CNC(=O)c1c(C)nsc1B(O)O)OC 2281922173 PGQLFGWHTSQFOM-IONNQARKSA-N 300.189 -0.078 50 10 DBGE CCCO[C@H]1CCN(S(=O)(=O)c2ccc(B(O)O)s2)C1 2282069353 OXDXOCLQJFQFBM-VIFPVBQESA-N 319.213 -0.383 50 10 DBGE O=S(=O)(NC1[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]12)c1cc(B(O)O)cs1 2282071086 NEHWMFVDGVZYFX-JRPBRRGXSA-N 313.209 -0.249 50 10 DBGE CO[C@H](CN(C)S(=O)(=O)c1ccc(B(O)O)s1)C1CC1 2282078236 GCMAQSOCTIRFPV-SECBINFHSA-N 319.213 -0.527 50 10 DBGE CCN(CC1(O)CCC1)S(=O)(=O)c1sccc1B(O)O 2282084931 YTWVMPVSSBYFTF-UHFFFAOYSA-N 319.213 -0.647 50 10 DBGE CC[S@@](=O)(=NS(=O)(=O)c1ccccc1B(O)O)C(C)C 2282106137 ULOXDGBCWJHJSZ-IBGZPJMESA-N 319.213 -0.049 50 10 DBGE O=C(c1csc(B(O)O)c1)N1CCC(F)(F)[C@@H](CO)C1 2282207216 NNKBTJDEZWRJCT-MRVPVSSYSA-N 305.111 -0.482 50 10 DBGE CC1(CNC(=O)C2(B(O)O)CCC2)CCS(=O)(=O)CC1 2282298618 NOTKDIHJZOVVPM-UHFFFAOYSA-N 303.189 -0.285 50 10 DBGE C[C@@]12CN(C(=O)c3nscc3B(O)O)CC[C@H]1C2(F)F 2282323166 WRJNYALOPGCPHR-GMSGAONNSA-N 302.111 -0.060 50 10 DBGE Cc1sc(B(O)O)cc1S(=O)(=O)N1CC2(CCOC2)C1 2282356732 ZRGXOXGVPOOKNE-UHFFFAOYSA-N 317.197 -0.853 50 10 DBGE CO[C@@H]1C[C@H]2[C@H]1CCN2S(=O)(=O)c1cscc1B(O)O 2282366870 UVCUHFXYWOOMCC-FKTZTGRPSA-N 317.197 -0.774 50 10 DBGE Cc1cc(S(=O)(=O)N[C@@H]2[C@H]3CCOC[C@H]32)sc1B(O)O 2282368427 PZUUERKSRGZCON-QXFUBDJGSA-N 317.197 -0.950 50 10 DBGE Cc1sc(B(O)O)cc1S(=O)(=O)N[C@@H]1CNCC1(C)C 2282371327 ILHKVEKHFGNZDX-SECBINFHSA-N 318.229 -0.987 50 10 DBGE C[C@@H]1C[C@@H](F)CN1S(=O)(=O)Cc1ccc(B(O)O)cc1 2282371810 PEKRCDHTVVWXOO-BXKDBHETSA-N 301.148 -0.372 50 10 DBGE Cc1sc(B(O)O)cc1S(=O)(=O)N[C@@H]1CCN[C@@H](C)C1 2282415160 CSSPYGLVPWPHOQ-IONNQARKSA-N 318.229 -0.845 50 10 DBGE Cc1sc(C(=O)N2CC[S@@](=O)C(C)(C)C2)cc1B(O)O 2282481274 SLBCAQIAEHOYDZ-HXUWFJFHSA-N 315.225 -0.281 50 10 DBGE CC1(C)CN(S(=O)(=O)c2cc(B(O)O)cs2)CC[C@H]1N 2282698481 BYIXKFYWFGLOBI-SECBINFHSA-N 318.229 -0.824 50 10 DBGE O=S(=O)(N[C@@H]1[C@@H]2CCC(F)(F)[C@H]21)c1ccc(B(O)O)s1 2282712682 UOGBTOQYQBWOBA-JISRMSBWSA-N 323.151 -0.250 50 10 DBGE CC[C@H](C)[C@@H](O)CNS(=O)(=O)c1ccc(B(O)O)cc1 2282714769 WOFOJWAKLACCIO-CABZTGNLSA-N 301.173 -0.948 50 10 DBGE CSC[C@H]1CCCN1S(=O)(=O)c1ccccc1B(O)O 2282720385 ZMBLDWAWRIIWEK-SNVBAGLBSA-N 315.225 -0.118 50 10 DBGE Cc1cc(S(=O)(=O)NC[C@@H]2CO[C@H](C)C2)sc1B(O)O 2282721945 ZNABUTGEQFGCHX-RKDXNWHRSA-N 319.213 -0.560 50 10 DBGE CCC(C)(C)CCNS(=O)(=O)c1cncc(B(O)O)c1 2282723532 QWVYAHXWENVKCK-UHFFFAOYSA-N 300.189 -0.134 50 10 DBGE C[C@@H]1C[C@@H](CN(C)S(=O)(=O)c2cscc2B(O)O)CO1 2282726914 VBJMSMALXHJBSE-BDAKNGLRSA-N 319.213 -0.527 50 10 DBGE CCC[C@H](O)CNS(=O)(=O)c1c(Cl)cccc1B(O)O 2282733094 QCGUVXWYZVTLFG-QMMMGPOBSA-N 321.591 -0.541 50 10 DBGE CSCC[C@H](O)C(=O)N(C)Cc1cc(C)c(B(O)O)s1 2283997453 GCJMYWRCZJPHIZ-JTQLQIEISA-N 317.241 -0.191 50 10 DBGE Cc1cc(C(=O)N=[S@](C)(=O)CCC(=O)O)sc1B(O)O 2284389076 ISLVIFYFIVRRHO-HXUWFJFHSA-N 319.169 -0.551 50 10 DBGE C=C(CS(=O)(=O)Nc1cccc(C(=O)O)c1F)B(O)O 2284399440 KJCWSVGKYFMJOM-UHFFFAOYSA-N 303.076 -0.166 50 10 DBGE O=C(NC[C@@H]1[C@@H](C(=O)O)C1(F)F)c1cscc1B(O)O 2284450417 DDIODVMCGQHGCB-VDTYLAMSSA-N 305.067 -0.876 50 10 DBGE O=C(N[C@@H]1C[C@]2(C(=O)O)C[C@H]12)c1cc(B(O)O)c(Cl)s1 2284463959 COKYJCNQSBETRO-WXOGSGBVSA-N 315.543 -0.326 50 10 DBGE CP(C)(=O)[C@@H]1CN(C(=O)c2occc2B(O)O)CCO1 2289234816 AKYUZUSZTPDIND-SECBINFHSA-N 301.044 -0.619 50 10 DBGE COC1(CNS(=O)(=O)c2sccc2B(O)O)CC(C)C1 2290386514 XLDGTWAIRKYYPA-UHFFFAOYSA-N 319.213 -0.479 50 10 DBGE O=C(N[C@@H]1[C@@H]2[C@H]1CCCC2(F)F)c1sncc1B(O)O 2359276559 GOIICILHBHBKAM-DTLFHODZSA-N 302.111 -0.014 50 10 DBGE C=C(CS(=O)(=O)N[C@@H]1C[C@@H]2CC[C@@]1(C(=O)O)C2)B(O)O 2359401028 OSWSGVTWVICQJI-IQJOONFLSA-N 303.145 -0.883 50 10 DBGE CC[C@@H](C)[C@H](NC(=O)c1cnsc1B(O)O)C(=O)OC 2362578263 IWSULNHTFXPTCR-SVRRBLITSA-N 300.145 -0.860 50 10 DBGE CO[C@@H]1CCS(=O)(=O)N(CCC[C@@H]2C[C@H]2C(=O)NN)C1 2362685470 IRJCZKLDLICYGH-GMTAPVOTSA-N 305.400 -0.557 50 10 DBGE C=C(CS(=O)(=O)N(C)C[C@@H]1CO[C@]2(C)C[C@H]1C2)B(O)O 2362847169 GDHVTDDXNXLPHS-UTUOFQBUSA-N 303.189 -0.369 50 10 DBGE CN(NC(=O)N[C@H]1[C@@H](C(=O)O)C1(C)C)S(=O)(=O)C1CC1 2365270597 GOXNMUPKFWCDOY-YUMQZZPRSA-N 305.356 -0.266 50 10 DBGE CCCS(=O)(=O)N(C)NC(=O)c1n[nH]c2c1CNCC2 2365288351 AMYQKGHGJCQJKD-UHFFFAOYSA-N 301.372 -0.628 50 10 DBGE C[C@@]1(NNC(=O)NCCN2CCCCC2)CCS(=O)(=O)C1 45196524 QLBQWZORCSOMLB-CYBMUJFWSA-N 318.443 -0.147 50 10 DBGE CCn1c(SCc2csc(C(=O)NN)n2)n[nH]c1=O 110608811 NWTQFOQIHXZWLV-UHFFFAOYSA-N 300.369 -0.056 50 10 DBGE CCOCCN(CCOCC)C[C@@H]1CC[C@H](C(=O)NN)O1 124631942 MRNNEAUYBYMTDS-QWHCGFSZSA-N 303.403 -0.101 50 10 DBGE Cn1nc2c(cc1=O)CN(CC(=O)NNC(=O)C1CCC1)CC2 172794888 QDDNEJQZAGCYSD-UHFFFAOYSA-N 319.365 -0.914 50 10 DBGE CNC(=O)c1ccc(S(=O)(=O)NN(C)C(=O)OC)cc1 288980139 RMJIAYGWFLOBPG-UHFFFAOYSA-N 301.324 -0.062 50 10 DBGE NNC(=O)c1cn(CCN2C(=O)c3ccccc3C2=O)nn1 315868512 YVDGOROZDURNCK-UHFFFAOYSA-N 300.278 -0.822 50 10 DBGE O=C(NNC(=O)C1(N2CCOCC2)CCC1)C(=O)N1CCCC1 367799255 FESDNZLFZQWORW-UHFFFAOYSA-N 324.381 -0.989 50 10 DBGE O=C1N[C@@H](C(=O)Nc2cc(Cl)ccc2B(O)O)CS1 404915629 OJKLMJSOEGPWER-MRVPVSSYSA-N 300.532 -0.217 50 10 DBGE COc1cc(S(=O)(=O)Nc2ccnc(B(O)O)c2)sn1 717672062 LSEJJTJNRHGQFB-UHFFFAOYSA-N 315.141 -0.973 50 10 DBGE COC(=O)c1cc2c([C@H](O)C(=O)O)c(B(O)O)ccc2s1 725322767 CESQBHSWMDMZTO-JTQLQIEISA-N 310.092 -0.514 50 10 DBGE C[C@H]1CN(CCNC(=O)NNC(=O)Cc2ccccn2)CCO1 729605031 GZFMOMIWCBTTGA-LBPRGKRZSA-N 321.381 -0.325 50 10 DBGE CCNS(=O)(=O)CCNC(=O)NNc1ccc(C)cn1 731684831 JFQGELWZUHJDJQ-UHFFFAOYSA-N 301.372 -0.045 50 10 DBGE CC(=O)NCCNC(=O)NNC(=O)[C@@H]1Cc2ccccc2O1 748450441 GVURPIXJKICJKI-LBPRGKRZSA-N 306.322 -0.543 50 10 DBGE Cn1cc(CC(=O)NNC(=O)[C@@H]2COCCO2)c(Cl)n1 814412884 XBTRYIIXPZFLOG-QMMMGPOBSA-N 302.718 -0.821 50 10 DBGE CC(C)CN(C)CCCNC(=O)NNC(=O)[C@H]1COCCO1 845309549 JBAOMDNPOWOJHT-GFCCVEGCSA-N 316.402 -0.290 50 10 DBGE CC[C@@](C)(CO)C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 847291779 WSBJHJOVHFSXPU-AWEZNQCLSA-N 318.337 -0.168 50 10 DBGE CCOC(C)(OCC)C(=O)NNC(=O)c1ccnc2[nH]nnc12 854388439 KSUVVNCNNFJCPG-UHFFFAOYSA-N 322.325 -0.097 50 10 DBGE Cc1cccc(C(=O)NNC(=O)N2CCO[C@@H](CC(N)=O)C2)n1 858411613 LEEZQEMHAZIDBU-JTQLQIEISA-N 321.337 -0.679 50 10 DBGE CCC(=O)NNC(=O)[C@@H](C)OC(=O)Cc1ccc(C#N)nc1 860250372 YENCLUVBNAQRJZ-SECBINFHSA-N 304.306 -0.015 50 10 DBGE O=C(CCN1CCOCC1)NNC(=S)NC[C@@H]1CCCO1 1248407362 NVQAFZBRHUHGOO-NSHDSACASA-N 316.427 -0.617 50 10 DBGE CCc1onc(C)c1CNC(=O)NNC(=O)[C@H]1CCC(=O)N1 1251240718 NUCRPUGAJDAPKV-SECBINFHSA-N 309.326 -0.346 50 10 DBGE Cc1nc2ccccn2c1C(=O)NNC(=O)[C@H](O)C(C)(C)O 1290346887 QPRREGQNAGEBKR-NSHDSACASA-N 306.322 -0.464 50 10 DBGE Cn1cc(C(=O)NNC(=O)N2CC[C@@]3(C2)CC3(F)F)nn1 1350385115 HAJFKAYJMZSIDL-JTQLQIEISA-N 300.269 -0.099 50 10 DBGE Cc1ncc(CC(=O)NNC(=O)CNC(=O)c2ccco2)o1 1536533309 JSMWDWGKLVWPLD-UHFFFAOYSA-N 306.278 -0.304 50 10 DBGE C[C@@H](C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccccn1 1540474656 AXLCZQTVFHFVBL-NXEZZACHSA-N 311.363 -0.233 50 10 DBGE 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-0.180 50 10 DBGE CN1CC[C@@H](NC(=O)c2scc(B(O)O)c2Cl)C1=O 2266974505 SCRMTIGFGWTXFZ-ZCFIWIBFSA-N 302.548 -0.958 50 10 DBGE C[C@H]1CNC[C@@H](C)N1C(=O)c1scc(B(O)O)c1Cl 2266984224 SUHQNFHDWMHNPF-KNVOCYPGSA-N 302.592 -0.096 50 10 DBGE NC[C@H]1CC[C@H](NC(=O)c2cc(B(O)O)c(Cl)s2)C1 2267092309 VJCXNBXYMNABEV-BQBZGAKWSA-N 302.592 -0.062 50 10 DBGE C[C@@H](CCCCO)NS(=O)(=O)c1sccc1B(O)O 2267199752 QJKHSKXVXRTVPX-QMMMGPOBSA-N 307.202 -0.743 50 10 DBGE COC[C@H]1CC[C@@H]1NS(=O)(=O)c1cc(B(O)O)cs1 2267201418 OLPNMFYHKOHZAQ-APPZFPTMSA-N 305.186 -0.869 50 10 DBGE CC(C)SC1CN(S(=O)(=O)c2sccc2B(O)O)C1 2267208352 YAXIHKDHZUZKDA-UHFFFAOYSA-N 321.254 -0.058 50 10 DBGE C=C[C@H]1CN(S(=O)(=O)c2sccc2B(O)O)CCO1 2267213141 XRUYDBUTZWSGQA-QMMMGPOBSA-N 303.170 -0.997 50 10 DBGE Cn1ncc(CNC(=O)c2nscc2B(O)O)c1Cl 2267360114 PWPHJBFUWYNUSD-UHFFFAOYSA-N 300.536 -0.860 50 10 DBGE CC[C@](C)(CN)N(C)S(=O)(=O)c1cscc1B(O)O 2267383064 TWAZYQGULORMLV-SNVBAGLBSA-N 306.218 -0.824 50 10 DBGE Cc1cc(S(=O)(=O)N[C@H](C)C[C@@H](C)O)sc1B(O)O 2267390678 HSDSVFCJIWLSKG-HTQZYQBOSA-N 307.202 -0.826 50 10 DBGE O=S(=O)(NC1CC2(CSC2)C1)c1ccc(B(O)O)s1 2267606781 CSPUDBTUXCWLFN-UHFFFAOYSA-N 319.238 -0.398 50 10 DBGE O=S(=O)(N[C@@H]1C[C@@]12CC2(F)F)c1ccc(B(O)O)s1 2267609071 KYPPAYPXVCFWMK-SVGQVSJJSA-N 309.124 -0.496 50 10 DBGE O=S(=O)(c1cc(B(O)O)cs1)N1C[C@H]2CCCC[C@@H]21 2267610731 JHPPYPPNCBNGTB-SCZZXKLOSA-N 301.198 -0.009 50 10 DBGE O=S(=O)(N[C@H]1CC[C@H]2C[C@@H]1C2)c1cc(B(O)O)cs1 2267613663 FBBDXCLLXKOIIH-XKSSXDPKSA-N 301.198 -0.105 50 10 DBGE CNC(=O)OCCNC(=O)c1cccc(B(O)O)c1Cl 2281707636 HIBQZLGLFPAKMB-UHFFFAOYSA-N 300.507 -0.894 50 10 DBGE Cc1cc(C(=O)N(C)[C@@H](CCO)C(F)F)sc1B(O)O 2281734612 RQXJILNQYLRGRR-ZETCQYMHSA-N 307.127 -0.176 50 10 DBGE CN(CC1(S(C)(=O)=O)CCC1)C(=O)[C@H]1C[C@H](B(O)O)C1 2281876985 KGWQIFZRIRRSNN-MGCOHNPYSA-N 303.189 -0.335 50 10 DBGE C[C@@H]1CC[C@H](CN)N(S(=O)(=O)c2cc(B(O)O)cs2)C1 2282064652 CTNYLMKRJKGTQW-PSASIEDQSA-N 318.229 -0.824 50 10 DBGE C[C@H]1[C@@H](O)C[C@@H](C)CN1S(=O)(=O)c1cc(B(O)O)cs1 2282070622 HGDCRVQSKGFJSN-WEDXCCLWSA-N 319.213 -0.792 50 10 DBGE O=S(=O)(c1cc(B(O)O)cs1)N1[C@H]2CC[C@H]1CC(O)C2 2282073087 CJNHTDOPEFNQRZ-IUCAKERBSA-N 317.197 -0.896 50 10 DBGE Cc1ncccc1CNS(=O)(=O)c1cc(B(O)O)cs1 2282074965 YBRRUMIQKNSIAD-UHFFFAOYSA-N 312.181 -0.390 50 10 DBGE O=S(=O)(c1cc(B(O)O)cs1)N1CCC[C@]12CCOC2 2282075854 ZOEZCGCPIWKFHK-LLVKDONJSA-N 317.197 -0.629 50 10 DBGE C[C@H]1CCN(S(=O)(=O)c2ccc(B(O)O)s2)C[C@@]1(C)O 2282076462 IJYVPCRUQQSCSL-GZMMTYOYSA-N 319.213 -0.791 50 10 DBGE O=S(=O)(N[C@@H](CO)C1CCCC1)c1ccc(B(O)O)s1 2282076864 NTYFXDRJAAOVSI-VIFPVBQESA-N 319.213 -0.743 50 10 DBGE CCC[C@@]1(NS(=O)(=O)c2sccc2B(O)O)CCNC1 2282079257 UDUUVYQRCMGYMZ-LLVKDONJSA-N 318.229 -0.762 50 10 DBGE CC(C)(C)C[C@H](O)CNS(=O)(=O)c1ccc(B(O)O)s1 2282084821 YFSJVKPPUGATSM-QMMMGPOBSA-N 321.229 -0.497 50 10 DBGE O=S(=O)(c1ccc(B(O)O)cc1)N1CCC[C@H](CF)C1 2282087433 FJDNKKSTLNQKED-SNVBAGLBSA-N 301.148 -0.263 50 10 DBGE CC[C@@H](O)CCCNS(=O)(=O)c1ccccc1B(O)O 2282101976 GSUPXKNMGSODLZ-SNVBAGLBSA-N 301.173 -0.804 50 10 DBGE O=C(c1cccc(B(O)O)c1Cl)N1CC[C@@](F)(CO)C1 2282301255 DLIKAOIXGBYXOR-LBPRGKRZSA-N 301.510 -0.434 50 10 DBGE C[C@H](CNS(=O)(=O)Cc1ncsc1B(O)O)C1CCC1 2282342564 IYYUNZAZNLRUEX-MRVPVSSYSA-N 318.229 -0.322 50 10 DBGE COC[C@H]1CC[C@H]1NS(=O)(=O)Cc1ccsc1B(O)O 2282350270 KOBNTFVNMRKDKS-PSASIEDQSA-N 319.213 -0.728 50 10 DBGE CO[C@@H](C)[C@H](C)NS(=O)(=O)c1ccc(B(O)O)cc1F 2282353930 KKRJHYINIQDBGC-YUMQZZPRSA-N 305.136 -0.793 50 10 DBGE O=S(=O)(c1ccc(B(O)O)cc1Cl)N1C[C@H]2C[C@H]1CO2 2282355803 LDDFRXQYOBUCBV-DTWKUNHWSA-N 317.559 -0.818 50 10 DBGE Cc1sc(B(O)O)cc1S(=O)(=O)N1C[C@@H](C)OC[C@H]1C 2282356248 RXJCGKXOMIXTKY-HTQZYQBOSA-N 319.213 -0.466 50 10 DBGE COCCN(CC(C)C)S(=O)(=O)c1cscc1B(O)O 2282367187 YQUDLYBBUKPDOS-UHFFFAOYSA-N 321.229 -0.279 50 10 DBGE Cc1cc(S(=O)(=O)N=c2[nH]ccnc2C)sc1B(O)O 2282369300 DRLOZNDOFDWOAX-UHFFFAOYSA-N 313.169 -0.943 50 10 DBGE N#CC1(NS(=O)(=O)c2ccc(B(O)O)cc2Cl)CCC1 2282370917 CLLXLCVFHRGSJF-UHFFFAOYSA-N 314.559 -0.256 50 10 DBGE CO[C@H]1C[C@@H](N(C)S(=O)(=O)c2cc(C)c(B(O)O)s2)C1 2282371453 JTCCFSCWUIZZIY-DTORHVGOSA-N 319.213 -0.466 50 10 DBGE C[C@]1(NS(=O)(=O)Cc2ncsc2B(O)O)C=CCCC1 2282385246 XTQRVYVCSGWXDM-NSHDSACASA-N 316.213 -0.259 50 10 DBGE C[C@@H](C#N)CN(C)S(=O)(=O)c1c(Cl)cccc1B(O)O 2282408329 HJSQFSUVICHHHG-QMMMGPOBSA-N 316.575 -0.200 50 10 DBGE O=C(N[C@]12CCC[C@H]1CS(=O)(=O)C2)[C@H]1C[C@H](B(O)O)C1 2282417902 FNHHKUNFLJEOCX-GMOBBJLQSA-N 301.173 -0.677 50 10 DBGE CC(C)[C@@H](COC(F)F)NC(=O)c1cc(B(O)O)sn1 2282437040 QDHQZMBYZCNCHM-SSDOTTSWSA-N 308.115 -0.184 50 10 DBGE O=C(c1c(Cl)cccc1B(O)O)N1CCO[C@H](CF)C1 2282462715 PKHWGAUETPPLPQ-MRVPVSSYSA-N 301.510 -0.170 50 10 DBGE CN(Cc1cncs1)S(=O)(=O)c1ccccc1B(O)O 2282710390 NVTWERHGQRQZOB-UHFFFAOYSA-N 312.181 -0.356 50 10 DBGE COC[C@H](NS(=O)(=O)c1ccccc1B(O)O)C(C)C 2282717799 OEBOACDOLRMTFI-NSHDSACASA-N 301.173 -0.684 50 10 DBGE Cc1nnc(NS(=O)(=O)c2ccc(B(O)O)c(F)c2)s1 2282730017 WBHMCWGTFDNAQS-UHFFFAOYSA-N 317.132 -0.534 50 10 DBGE C[C@@H]1O[C@H](C)C[C@H]1CNS(=O)(=O)c1cscc1B(O)O 2282735376 ZMMMSYMTQFODIH-VGMNWLOBSA-N 319.213 -0.480 50 10 DBGE Cc1cc(S(=O)(=O)NC[C@@H](C)C[C@@H](C)O)sc1B(O)O 2282736950 XTEHYPQGTQOETD-IONNQARKSA-N 321.229 -0.578 50 10 DBGE O=S(=O)(Cc1ncsc1B(O)O)N1[C@H]2CCC[C@@H]1CC2 2282738301 SMJQUKLKPJAYOY-DTORHVGOSA-N 316.213 -0.330 50 10 DBGE Cc1cc(S(=O)(=O)NC2(C)CCOCC2)sc1B(O)O 2282742162 YRKLREPBFIMTEJ-UHFFFAOYSA-N 319.213 -0.416 50 10 DBGE C[C@H]1C[C@H](O)CN1C(=O)c1cc(F)c(B(O)O)cc1Cl 2282975955 PWTOLCGAPMAKBC-BQBZGAKWSA-N 301.510 -0.246 50 10 DBGE COCCSCC(=O)NCc1cc(B(O)O)ccc1F 2283916637 VARPLTNHDHSOEW-UHFFFAOYSA-N 301.148 -0.499 50 10 DBGE C[C@](CC(F)F)(NC(=O)c1ccsc1B(O)O)C(=O)O 2284389653 NZUDNILJLRYOIT-SNVBAGLBSA-N 307.083 -0.344 50 10 DBGE C[C@H](CCCC(=O)O)NS(=O)(=O)c1ccc(B(O)O)s1 2284395134 IENOCJYGJNGQLB-SSDOTTSWSA-N 321.185 -0.650 50 10 DBGE COCCC[C@H](NC(=O)c1cscc1B(O)O)C(=O)O 2284459555 MRVBKEDJRVOEBT-VIFPVBQESA-N 301.129 -0.963 50 10 DBGE C[C@H](N)CCSCC(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1Cl 90345927 FRBXYYFCOHESQZ-XHNCKOQMSA-N 314.860 -0.023 50 10 DBGE NNC(=O)c1nc(CN2CC[C@@H]3NC(=O)CC[C@@H]3C2)cs1 160833322 VIYAJGAGUCXALH-SCZZXKLOSA-N 309.395 -0.153 50 10 DBGE C[C@H]1CN(CC(=O)NNC(=O)C2CCC2)C[C@@H]1N1CCOCC1 177251186 AYSICWNOZZEGEE-JSGCOSHPSA-N 324.425 -0.414 50 10 DBGE COC[C@@H](C(=O)NN)n1cc(I)cn1 232421110 VHSFIHQWOXVQSF-LURJTMIESA-N 310.095 -0.335 50 10 DBGE NNC(=O)c1nc(CN2CC[C@@H]3NC(=O)CC[C@H]3C2)cs1 250786353 VIYAJGAGUCXALH-WPRPVWTQSA-N 309.395 -0.153 50 10 DBGE C[C@@](O)(Cc1ccccc1)C(=O)NNC(=O)[C@H]1COCCO1 266910374 NKVRSIRRBLUHPK-IUODEOHRSA-N 308.334 -0.457 50 10 DBGE CN(NC(=O)C1=NO[C@@H](CNC(=O)OC(C)(C)C)C1)C(N)=O 282420499 RFZOALSOJYBTKB-SSDOTTSWSA-N 315.330 -0.302 50 10 DBGE COc1ccc([C@H]2[C@H](C(=O)NNC(=O)CO)CC(=O)N2C)cc1 371812146 ZYMYITTYFPRYME-RISCZKNCSA-N 321.333 -0.646 50 10 DBGE O=C(CBr)Cc1c(B(O)O)cccc1[N+](=O)[O-] 396074689 XCEMPLNPDJOVSZ-UHFFFAOYSA-N 301.889 -0.219 50 10 DBGE C[C@@H](Br)C(=O)c1cc(CC(=O)O)cc(B(O)O)c1 396136377 YGMTVIQQCXXMLE-ZCFIWIBFSA-N 314.928 -0.040 50 10 DBGE CN1CCC[C@@H](NC(=O)NNC(=O)CNC(=O)c2ccco2)C1 726237006 OWFSORHXISXPDG-SNVBAGLBSA-N 323.353 -0.566 50 10 DBGE CCCC(=O)N1CSC[C@@H]1C(=O)NNC(=O)c1cnn[nH]1 729458079 DPPURTJHZRQGKX-MRVPVSSYSA-N 312.355 -0.733 50 10 DBGE Cc1nn(C)c(C)c1[C@@H](C)C(=O)NNC(=O)[C@H]1COCCO1 744646646 ZXYVBQFAPZGRKF-LDYMZIIASA-N 310.354 -0.297 50 10 DBGE C[C@H]1CN(C(=O)NNC(=O)[C@H]2COCCO2)C[C@@H](C)S1 745999907 QBFHSYOWOJTXGZ-KXUCPTDWSA-N 303.384 -0.032 50 10 DBGE CN(C[C@H]1CCCCO1)C(=O)NNC(=O)[C@H]1COCCO1 746002629 LDBGEXUFZPBDPK-GHMZBOCLSA-N 301.343 -0.357 50 10 DBGE Cc1nc2ccccc2n1CC(=O)NNC(=O)c1cn(C)nn1 813403504 BMBJPYXMSIVYGP-UHFFFAOYSA-N 313.321 -0.066 50 10 DBGE Cc1cccnc1C(=O)NNC(=O)c1cnn(C[C@H](O)CO)c1 830919869 MGLQPTXYDHHLNF-NSHDSACASA-N 319.321 -0.985 50 10 DBGE CO[C@H](CC(=O)NNC(=O)[C@H]1COCCO1)C(F)(F)F 844414767 YJHVBXJTBGBGST-RNFRBKRXSA-N 300.233 -0.483 50 10 DBGE 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DBGE CC[C@H](CSC)NC(=O)c1nn(C)c(Cl)c1B(O)O 2267328264 GOUPFBWXECWALQ-ZCFIWIBFSA-N 305.596 -0.375 50 10 DBGE O=S(=O)(N[C@@H]1[C@H]2CC[C@H]21)c1ccc(Cl)c(B(O)O)c1 2267380548 GSZNKBKKBVEVRI-VROVMSAKSA-N 301.560 -0.294 50 10 DBGE CCS[C@@H]1CCN(S(=O)(=O)c2cscc2B(O)O)C1 2267389450 OPJUEYRVEUMPBI-MRVPVSSYSA-N 321.254 -0.056 50 10 DBGE CSSCCNS(=O)(=O)c1cc(B(O)O)ccc1C 2267392013 USTKOMWBMVRQNK-UHFFFAOYSA-N 321.254 -0.036 50 10 DBGE CN(CCC1CC1)S(=O)(=O)Cc1ncsc1B(O)O 2267622384 QERFMKVTPHZKOW-UHFFFAOYSA-N 304.202 -0.615 50 10 DBGE O=S(=O)(N1CCOCC1)N1C[C@H]2OCC[C@]2(CCl)C1 2278894101 TZZZETSJAFIIRL-MNOVXSKESA-N 310.803 -0.107 50 10 DBGE CCc1nc(C(=O)N[C@@H](CO)C(F)(F)F)c(B(O)O)s1 2281628569 PZFSOZJKFZUQPZ-BYPYZUCNSA-N 312.078 -0.962 50 10 DBGE C[C@@H](CNC(=O)c1nn(C)c(Cl)c1B(O)O)C(F)(F)F 2281664200 WHDYTFQJPGVYOQ-BYPYZUCNSA-N 313.472 -0.319 50 10 DBGE O=C(N[C@H]1CCCC2(C1)OCCO2)c1cccc(F)c1B(O)O 2281695974 VSWUFSQEAJXNHI-JTQLQIEISA-N 323.129 -0.079 50 10 DBGE O=C([C@H]1C[C@H](B(O)O)C1)N1C[C@@H]2C[C@H](C1)CS(=O)(=O)C2 2281870999 JJQPGWQBXCITKU-BIBSGERRSA-N 301.173 -0.868 50 10 DBGE CC[C@@](C)(COC)NC(=O)c1ncc(B(O)O)cc1Cl 2281871889 IOAVWMZDMQQVKU-LBPRGKRZSA-N 300.551 -0.040 50 10 DBGE O=C(c1csnc1B(O)O)N1CCS[C@@H]2COCC[C@@H]21 2281882067 XXFOMHZRIPQGIP-DTWKUNHWSA-N 314.197 -0.831 50 10 DBGE O=C(NC1CC(O)(C(F)(F)F)C1)c1cc(B(O)O)sn1 2281885041 DKEPSJVEWRMZPT-UHFFFAOYSA-N 310.062 -0.992 50 10 DBGE N[C@@H]1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)c1cc(B(O)O)cs1 2282066664 UFLXPKYOYCXKAN-ILWJIGKKSA-N 316.213 -0.929 50 10 DBGE CNC1CCC(NS(=O)(=O)c2sccc2B(O)O)CC1 2282070128 ZLOYFWQUMHAVPH-UHFFFAOYSA-N 318.229 -0.763 50 10 DBGE CCC[C@H]1CNCCN1S(=O)(=O)c1ccc(B(O)O)s1 2282079877 BUBHJVKYNGJAPF-VIFPVBQESA-N 318.229 -0.810 50 10 DBGE O=S(=O)(c1sccc1B(O)O)N1CCO[C@H]2CCC[C@@H]21 2282088240 KQEDFSRWJVDVDU-UWVGGRQHSA-N 317.197 -0.630 50 10 DBGE C[C@]1(C(F)F)C[C@H]1NS(=O)(=O)c1cncc(B(O)O)c1 2282106313 WJVQDONCLBPJGP-SCZZXKLOSA-N 306.099 -0.917 50 10 DBGE O=S(=O)(N[C@@H](C(F)F)C1CC1)c1ccccc1B(O)O 2282106609 AHMCAZGPHSXOJI-SNVBAGLBSA-N 305.111 -0.312 50 10 DBGE C[C@H](CCNC(=O)c1ccc(B(O)O)cc1F)[S@@](C)=O 2282230654 YVJHZCQHQFXHSB-ZPWHCFADSA-N 301.148 -0.608 50 10 DBGE C[C@@H]1OCC[C@@]1(C)NC(=O)c1nn(C)c(Cl)c1B(O)O 2282253559 QMOZCEKELVRLGT-UPONEAKYSA-N 301.539 -0.949 50 10 DBGE Cn1nc(C(=O)N[C@H](CF)C(F)(F)F)c(B(O)O)c1Cl 2282292891 BOPKJSBJFSIGIE-GSVOUGTGSA-N 317.435 -0.617 50 10 DBGE CO[C@@H](C)[C@H](C)NS(=O)(=O)c1ccc(F)c(B(O)O)c1 2282330210 WNRLYGVTGQWGCZ-YUMQZZPRSA-N 305.136 -0.793 50 10 DBGE C#C[C@H](NS(=O)(=O)c1c(Cl)cccc1B(O)O)C1CC1 2282356922 CDFXCKRGIRRHEA-NSHDSACASA-N 313.571 -0.290 50 10 DBGE Cc1sc(B(O)O)cc1S(=O)(=O)N[C@@H]1C[C@@H](C)O[C@@H]1C 2282364006 KUYIXWPHHMWDOA-ZXFLCMHBSA-N 319.213 -0.419 50 10 DBGE O=S(=O)(NC1(CCO)CCCC1)c1cscc1B(O)O 2282374050 VVAANEORDSQEGQ-UHFFFAOYSA-N 319.213 -0.599 50 10 DBGE Cc1sc(C)c(S(=O)(=O)N[C@H]2CC[C@@H](N)C2)c1B(O)O 2282375646 SKXIRANUPGDGDF-BDAKNGLRSA-N 318.229 -0.797 50 10 DBGE CO[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1cscc1B(O)O 2282414460 STPZNFGJPKVLRB-VHSXEESVSA-N 319.213 -0.336 50 10 DBGE C[C@]1(C(N)=O)CCN(C(=O)c2scc(B(O)O)c2Cl)C1 2282472233 UWXGFKGUPRVSOD-NSHDSACASA-N 316.575 -0.581 50 10 DBGE O=S(=O)(NC[C@@H]1CCC[C@@H]1CO)c1sccc1B(O)O 2282700143 OQQCZOJHLXAJTO-DTWKUNHWSA-N 319.213 -0.885 50 10 DBGE NCC[C@@H]1CC[C@@H](NS(=O)(=O)c2cc(B(O)O)cs2)C1 2282705495 YUJQZFJAERWWSA-WCBMZHEXSA-N 318.229 -0.776 50 10 DBGE O=S(=O)(NCC12CC(CCO1)C2)c1cc(B(O)O)cs1 2282706701 PFPHERZQAQGVCI-UHFFFAOYSA-N 317.197 -0.725 50 10 DBGE O=S(=O)(NCCc1cnsc1)c1ccccc1B(O)O 2282709322 CHGMIYMSZOPFLN-UHFFFAOYSA-N 312.181 -0.656 50 10 DBGE Cc1nccc(CNS(=O)(=O)c2ccc(B(O)O)s2)n1 2282716187 QNTUAWYWKPZDGN-UHFFFAOYSA-N 313.169 -0.995 50 10 DBGE C=C(CS(=O)(=O)N1CCC[C@H]2[C@H]1C(C)(C)[C@@H]2O)B(O)O 2282728422 RYYPIZWAYDHUEQ-GARJFASQSA-N 303.189 -0.634 50 10 DBGE Cc1ccc(S(=O)(=O)NCCC(C)(C)O)c(B(O)O)c1 2282730006 VZZFKSGDKGZFGN-UHFFFAOYSA-N 301.173 -0.886 50 10 DBGE Cc1ccc(S(=O)(=O)NC2(C(F)F)CC2)c(B(O)O)c1 2282731233 OCOZMVMHVRDUFN-UHFFFAOYSA-N 305.111 -0.249 50 10 DBGE O=S(=O)(NC[C@@H](O)C1CC1)c1c(Cl)cccc1B(O)O 2282732616 JFHVTNFWPKYZII-SNVBAGLBSA-N 319.575 -0.931 50 10 DBGE Cc1sc(C)c(S(=O)(=O)NC[C@@H](N)C2CC2)c1B(O)O 2282737943 NIUKMNWFIYXXCW-SECBINFHSA-N 318.229 -0.940 50 10 DBGE Cc1cc(S(=O)(=O)NC[C@@H]2CCCN2C)sc1B(O)O 2282740005 SIXKONSKVTVSGW-VIFPVBQESA-N 318.229 -0.891 50 10 DBGE Cc1sc(C)c(S(=O)(=O)N2CCCOCC2)c1B(O)O 2282740458 ZXCVZTJZYDBLFU-UHFFFAOYSA-N 319.213 -0.544 50 10 DBGE Cc1sc(B(O)O)cc1S(=O)(=O)NC[C@@H]1CCC[C@@H]1O 2282740602 BXEZXPMOAIICEO-IUCAKERBSA-N 319.213 -0.824 50 10 DBGE CCCN(C1COC1)S(=O)(=O)Cc1ccsc1B(O)O 2282856061 NBHSCKKVINOSPG-UHFFFAOYSA-N 319.213 -0.632 50 10 DBGE CSCC[C@@H](O)C(=O)Nc1ccc(B(O)O)c(F)c1F 2283943287 XGRJTMWEADCFIN-MRVPVSSYSA-N 305.111 -0.303 50 10 DBGE CC[C@H](NC(=O)c1cc(F)c(B(O)O)cc1Cl)C(=O)O 2284441746 DUAQBXVLUGCZNN-VIFPVBQESA-N 303.482 -0.248 50 10 DBGE O=C(NC12CC(C(=O)O)(C1)C2)c1scc(B(O)O)c1Cl 2284481174 PWFQIYJVOSOLHA-UHFFFAOYSA-N 315.543 -0.182 50 10 DBGE CCC1(CS(=O)(=O)NCc2ccc(B(O)O)s2)COC1 2287053888 HKPKOGQVDDIJOF-UHFFFAOYSA-N 319.213 -0.726 50 10 DBGE CS(=O)(=O)CCS(=O)(=O)N1CC[C@H](N=C=O)[C@@H]2C[C@H]21 2343886507 JDOXFUIHJONMGH-LPEHRKFASA-N 308.381 -0.841 50 10 DBGE CN(C(=O)c1cnsc1B(O)O)[C@@H]1CC[C@H]2[C@@H]1C2(F)F 2362563470 CKXZEPPWVPHKLD-RNJXMRFFSA-N 302.111 -0.061 50 10 DBGE COCCn1nnnc1SCCC[C@H]1C[C@@H]1C(=O)NN 2362715610 WWEOFOTXOBNFCB-IUCAKERBSA-N 300.388 -0.182 50 10 DBGE O=S(=O)(C[C@H]1CCCCO1)Nc1ccc(B(O)O)cn1 2364002786 VKIBHVGNXSBWJY-SNVBAGLBSA-N 300.145 -0.928 50 10 DBGE CN(NC(=O)NC1(C(=O)O)CC=CC1)S(=O)(=O)C1CC1 2365267965 NRHVLDZXFNFSPG-UHFFFAOYSA-N 303.340 -0.202 50 10 DBGE CN(NC(=O)NO[C@H](C(=O)O)C1CC1)S(=O)(=O)C1CC1 2365280249 REMDQBIKBKNIAL-QMMMGPOBSA-N 307.328 -0.581 50 10 DBGE CCS(=O)(=O)N(C)NC(=O)N1C[C@H](OC)C[C@@H]1C(=O)O 2365291873 KHDMJQSXFCGENX-HTQZYQBOSA-N 309.344 -0.934 50 10 DBGE CCS(=O)(=O)N(C)NC(=O)N1CC[C@@H](C)[C@H](C(=O)O)C1 2365324236 NMDJOKINQKIWAP-RKDXNWHRSA-N 307.372 -0.065 50 10 DBGE COC(=O)[C@@H](Br)CN[C@H]1CCC(=O)N(C)C1=O 234606194 XICSMENDOKRLBT-BQBZGAKWSA-N 307.144 -0.340 50 10 DBGE C/N=C(/NC)SCC(=O)N[C@@H]1CS(=O)(=O)C[C@H]1Cl 386561229 JBZQXXOYKDRSNR-RNFRBKRXSA-N 313.832 -0.555 50 10 DBGE CO[C@]1(CO)CCCN(Cc2csc(C(=O)NN)n2)C1 402577084 ANMJJAYMVHGHMH-GFCCVEGCSA-N 300.384 -0.280 50 10 DBGE CC1(C)CN(Cc2nsc(C(=O)NN)n2)C[C@@H](CO)O1 724344120 BVTWXNRFHGAUHN-ZETCQYMHSA-N 301.372 -0.887 50 10 DBGE CC(C)COCCC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 729276124 XIVOCAUIJQLVNF-VIFPVBQESA-N 309.388 -0.866 50 10 DBGE CC(C)[C@@H](NC(=O)c1ccccn1)C(=O)NNC(=O)C(C)(C)O 768260579 GHGCHDZVGDCXCV-LLVKDONJSA-N 322.365 -0.246 50 10 DBGE COCCCS(=O)(=O)NCC(=O)NNC(=O)CCC(C)C 770173984 JSTJBYRWJQJLET-UHFFFAOYSA-N 323.415 -0.474 50 10 DBGE O=C(NNC(=O)[C@@H]1CCc2cccc(O)c21)[C@H]1COCCO1 815736280 UATIHJKLJWIAPQ-ZYHUDNBSSA-N 306.318 -0.015 50 10 DBGE COC[C@](C)(O)CCNC(=O)NNC(=O)[C@H]1CCO[C@H]1C 826887146 ALSNWBGTALGLBA-OUJBWJOFSA-N 303.359 -0.471 50 10 DBGE C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1cc2c(O)ncnc2cn1 843653584 CJWPBSPOCYXBFC-YUMQZZPRSA-N 317.305 -0.084 50 10 DBGE COC(=O)[C@H]1C[C@@H](NC(=O)NNC(=O)[C@H]2C[C@H]3CC[C@H]2O3)C1 845258230 CWCPECRNSPBKBI-NZHYYXIDSA-N 311.338 -0.164 50 10 DBGE COCCO[C@H](C)C(=O)NNC(=O)NCC[C@@H](N)C(C)C 851678197 QSBRRVZOIZWAHX-GHMZBOCLSA-N 304.391 -0.258 50 10 DBGE Cc1ccn2cnc(C(=O)NNC(=O)C(=O)NC3CC3)c2c1 854290700 BNKIJQQRARCSAT-UHFFFAOYSA-N 301.306 -0.318 50 10 DBGE Cc1nn(C)c(C)c1NC(=O)C(=O)NNC(=O)[C@H]1CC[C@@H](C)O1 862051683 UHEUGGTUDHBGBK-GMSGAONNSA-N 323.353 -0.310 50 10 DBGE COC(=O)C12CCC(CC1)N2C(=O)c1cc(B(O)O)ccc1F 870735925 LSBVMGNLQXLJIK-UHFFFAOYSA-N 321.113 -0.184 50 10 DBGE CCO[C@H]1[C@@H](C(=O)NNC(=O)[C@@H]2CCc3nncn3C2)[C@H]1C 908350242 ZBORHBLRNKJIFQ-PKZYVASSSA-N 307.354 -0.341 50 10 DBGE Cn1cc(C(=O)NNC(=O)N2CC[C@@H]([C@H]3CCOC3)C2)nn1 1118501308 AIVVFBOLFVZMIC-ZJUUUORDSA-N 308.342 -0.472 50 10 DBGE COC(=O)c1cccc(NNC(=O)CN2C(=O)CNC2=O)c1F 1140778907 WCMPBVZGCWEJFS-UHFFFAOYSA-N 324.268 -0.393 50 10 DBGE O=C(Cc1cn2ccccc2n1)NNC(=O)c1nsnc1O 1149265370 PNLSJZNHILYQRA-UHFFFAOYSA-N 318.318 -0.105 50 10 DBGE NC(=O)[C@H]1CC[C@H](CNC(=O)NNC(=O)c2ncccn2)CC1 1230250322 SZEVGZSZXZIOJX-MGCOHNPYSA-N 320.353 -0.288 50 10 DBGE C[C@@H]1C[C@@H](NC(=O)NNC(=O)COc2ccccc2O)C(=O)O1 1248371342 UKVUTDLWFCYULA-RKDXNWHRSA-N 323.305 -0.195 50 10 DBGE Cc1nnsc1CNC(=O)NNC(=O)[C@H]1COCCO1 1251514946 KIVXJGSQNGMHBA-SSDOTTSWSA-N 301.328 -0.908 50 10 DBGE O=C(NCCN1CCNC1=O)NNC(=O)[C@@H]1CCCS1 1313301305 KGULNNMXIAAKIQ-QMMMGPOBSA-N 301.372 -0.762 50 10 DBGE COc1nccnc1NNC(=O)c1cn(C[C@H]2CCOC2)nn1 1329124758 YLXNJWMULCPIEO-SECBINFHSA-N 319.325 -0.130 50 10 DBGE C[C@@H]1NCC[C@H]1NC(=O)NNC(=O)C(=O)Nc1ccccn1 1351547007 WLFUNFWKZVHELN-DTWKUNHWSA-N 306.326 -0.899 50 10 DBGE O=C(CSc1nncs1)NNC(=O)[C@H]1CCC(=O)N1 1438038253 UZTPGFMRVRQEKM-RXMQYKEDSA-N 301.353 -0.944 50 10 DBGE CN(C)N(C(=O)CCc1nc[nH]n1)[C@@H]1CCS(=O)(=O)C1 1468709824 TUYHNCBVKRHDOS-SECBINFHSA-N 301.372 -0.770 50 10 DBGE CC(C)(C)C(=O)NNC(=O)NCCS(=O)(=O)N1CCCC1 1479430643 XJRJUMCIJLGJEL-UHFFFAOYSA-N 320.415 -0.212 50 10 DBGE COc1cccc(NNC(=O)c2cc(B(O)O)ccc2F)n1 1546067517 SWXPQGBMDSDCIR-UHFFFAOYSA-N 305.074 -0.334 50 10 DBGE O=C(Cn1c(O)nc2ccccc21)NNC(=O)c1ncccn1 1557072901 UAPXRIWUFKUUBJ-UHFFFAOYSA-N 312.289 -0.007 50 10 DBGE CC1(C)C[C@](C)(NC(=O)NNC(=O)c2cccnn2)C(=O)O1 1565479276 BCDIPDBXQGCFNP-ZDUSSCGKSA-N 307.310 -0.095 50 10 DBGE O=C(NNC(=O)[C@H]1CCCN1c1ncccn1)c1cccnn1 1589390302 IHCLUWCLRPVAEM-LLVKDONJSA-N 313.321 -0.303 50 10 DBGE CNC(=O)NNC(=O)[C@]1(O)CCCN(Cc2ccccc2)C1 1626580836 AOJHHSNYQOMFGB-HNNXBMFYSA-N 306.366 -0.026 50 10 DBGE Cn1cc(C(C)(C)NC(=O)c2cc(B(O)O)ccc2F)nn1 1630801092 WTIHYDFSFSNXIT-UHFFFAOYSA-N 306.106 -0.701 50 10 DBGE CCn1nc(C(=O)NNC(=O)Cc2ccccc2O)ccc1=O 1647862109 ZVCQZFBUNLEOKG-UHFFFAOYSA-N 316.317 -0.028 50 10 DBGE O=C(NNC(=O)[C@H]1COCCO1)N[C@@H]1C[C@H]2C[C@H]1[C@H](CO)C2 1684731814 XAGHSRZFGKAKKO-YBXAARCKSA-N 313.354 -0.861 50 10 DBGE CO[C@@H]1CN(S(=O)(=O)CCOCCCl)[C@H]2COC[C@H]12 1877125072 IUTUCMHIQPLNFM-GARJFASQSA-N 313.803 -0.083 50 10 DBGE CC(C)S(=O)(=O)N(C)CCOc1ccc(B(O)O)cc1 1913478289 LHLQPFNAJQRDGB-UHFFFAOYSA-N 301.173 -0.585 50 10 DBGE CS(=O)(=O)c1ncc(C[C@H](O)CBr)c(O)n1 1952819041 PTCNBNIWCJUCOS-LURJTMIESA-N 311.157 -0.116 50 10 DBGE COC(=O)[C@@H](Br)CN1CCn2c(CO)nnc2C1 2051754144 FHTFFLBJPILOOG-ZETCQYMHSA-N 319.159 -0.478 50 10 DBGE CCn1cc(S(=O)(=O)N2C[C@H](Cl)[C@H]3COC[C@@H]32)nn1 2102192672 YGIBWHUDKWOZSH-VGMNWLOBSA-N 306.775 -0.075 50 10 DBGE CN(CCCCl)S(=O)(=O)N1CCN2CCOC[C@H]2C1 2129373273 MECSTFIFYLVNMD-LLVKDONJSA-N 311.835 -0.192 50 10 DBGE O=C(N=c1nc(B(O)O)[nH]s1)[C@H]1CCC[C@H]1C(F)(F)F 2166420217 SCYOGLSZEWFUTI-CRCLSJGQSA-N 309.078 -0.443 50 10 DBGE O=C1N[C@H]2CN(CCc3nc(CCl)cs3)C[C@@H]2NC1=O 2166790690 JOQRBDBHFGVUDB-IUCAKERBSA-N 314.798 -0.277 50 10 DBGE O=S(=O)([C@@H]1CC1(F)F)N1Cc2ccc(B(O)O)cc2C1 2168853902 CDYXPSPFDFLLTA-SNVBAGLBSA-N 303.095 -0.581 50 10 DBGE C[C@H](Cl)C(=O)NC(=O)NCCOC(=O)N1CCOCC1 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50 10 DBGE CN1[C@H]2CC[C@H]1CN(C(=O)c1cc(B(O)O)c(Cl)s1)C2 2282435023 RSKHXBDPXSEMTB-YUMQZZPRSA-N 314.603 0.000 50 10 DBGE C[C@@H]1CN(S(=O)(=O)c2sccc2B(O)O)C[C@@H](C)C1O 2282509376 JSVZXBWFRGFCTD-HTQZYQBOSA-N 319.213 -0.935 50 10 DBGE C[C@H](N)C1CCN(S(=O)(=O)c2cc(B(O)O)cs2)CC1 2282699330 JBARMJYBIDIMNS-QMMMGPOBSA-N 318.229 -0.824 50 10 DBGE CC(C)[C@@H]1CC(=O)N(S(=O)(=O)c2sccc2B(O)O)C1 2282704063 FYBFRHGJTXTTAM-MRVPVSSYSA-N 317.197 -0.379 50 10 DBGE C[C@H]1[C@@H](N(C)C)CCN1S(=O)(=O)c1ccc(B(O)O)s1 2282711791 HHEWDBWKNLVMND-IUCAKERBSA-N 318.229 -0.859 50 10 DBGE COC[C@@H]1CN(S(=O)(=O)c2ccc(B(O)O)s2)C[C@H]1C 2282714411 RNZHHOJPSDPCCA-BDAKNGLRSA-N 319.213 -0.669 50 10 DBGE C=C(CS(=O)(=O)NCc1ccncc1COC)B(O)O 2282727643 KBRLBSSQRHZQPV-UHFFFAOYSA-N 300.145 -0.784 50 10 DBGE CSC[C@H](C)CNS(=O)(=O)c1cc(B(O)O)ccc1C 2282730885 JDPKWEUJULBXKI-SECBINFHSA-N 317.241 -0.048 50 10 DBGE Cc1sc(B(O)O)cc1S(=O)(=O)N1CCC(C)(C)C1=O 2282732237 CQKUASGNNQTFMW-UHFFFAOYSA-N 317.197 -0.316 50 10 DBGE O=C(c1cc(F)c(B(O)O)cc1Cl)N1CC[C@@H](CO)C1 2282970639 RMGAIHNLLTZXHN-SSDOTTSWSA-N 301.510 -0.387 50 10 DBGE NNC(=O)c1csc(CN2C(=O)[C@@H]3CC[C@H]3S2(=O)=O)c1 2283105699 BAKBSRSVOQGLJZ-RKDXNWHRSA-N 315.376 -0.198 50 10 DBGE Cc1nc(C=CC(=O)NCc2ncc(B(O)O)s2)cs1 2283925894 GJZQCGHHKUMGGT-UHFFFAOYSA-N 309.181 -0.083 50 10 DBGE C[C@H](F)[C@@H](NC(=O)c1cc(Cl)ccc1B(O)O)C(=O)O 2284375741 IDHKDALXGZGTKU-SSDLBLMSSA-N 303.482 -0.439 50 10 DBGE Cc1sc(C(=O)Nc2snnc2C(=O)O)cc1B(O)O 2284382864 UTWYLBRWIYEAIH-UHFFFAOYSA-N 313.125 -0.462 50 10 DBGE Cc1cc(B(O)O)c(C(=O)N[C@H](C(=O)O)C(C)(C)F)s1 2284384942 MDZPBIFOAKUQAH-MRVPVSSYSA-N 303.120 -0.333 50 10 DBGE O=C(NO[C@@H](C(=O)O)C1CC1)c1scc(B(O)O)c1Cl 2284450637 GVRSJGUSJWVYCT-SSDOTTSWSA-N 319.531 -0.394 50 10 DBGE O=C(O)[C@@H]1C[C@H](F)CN1C(=O)c1scc(B(O)O)c1Cl 2284476515 MIUNCOOTCGMSBV-NJGYIYPDSA-N 321.522 -0.282 50 10 DBGE CO[C@@H](C)[C@@H](NC(=O)c1scc(B(O)O)c1Cl)C(=O)O 2284485155 PHJIKRRKESTMAZ-MHTLYPKNSA-N 321.547 -0.701 50 10 DBGE Cc1c(B(O)O)csc1C(=O)N1CC(c2nncs2)C1 2285446038 YKQROHUCHMHPBT-UHFFFAOYSA-N 309.181 -0.173 50 10 DBGE O=C(Cn1c(=O)cnc2ccccc21)NNC(=O)[C@H]1CCCO1 32258838 XXGNIRIMSKNAAZ-GFCCVEGCSA-N 316.317 -0.277 50 10 DBGE CC(C)OCCCN/C=C(/C#N)C(=O)N1CCN(CCN)CC1 217262779 MDCXKYFWYWWTKF-SQFISAMPSA-N 323.441 -0.099 50 10 DBGE COC(=O)NNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1O 495411397 DHQKACDULYDWPS-UHFFFAOYSA-N 317.323 -0.357 50 10 DBGE C[C@H]1CN(c2nc(N)nc(CCCl)n2)CCS1(=O)=O 707498568 FQYHVZDPWZJKLX-ZETCQYMHSA-N 305.791 -0.142 50 10 DBGE COC(=O)[C@H](Br)CN[C@@H]1CS(=O)(=O)C[C@@H]1C 711668080 PSGNEKAMOCFLJT-XLPZGREQSA-N 314.201 -0.054 50 10 DBGE CN(Cc1ccc(B(O)O)cc1)S(=O)(=O)c1ccns1 717799147 GGNGEACYHKLGJA-UHFFFAOYSA-N 312.181 -0.356 50 10 DBGE CCOC(=O)c1cc2scc(B(O)O)c2cc1[C@H](O)C(=O)O 725322896 FNNFWOJUJMDYIF-NSHDSACASA-N 324.119 -0.124 50 10 DBGE Cn1cnc(S(=O)(=O)NNC(=O)[C@@H]2Cc3ccccc3O2)c1 751279668 RFMCQRIGFNCWTB-NSHDSACASA-N 322.346 -0.267 50 10 DBGE C[C@@H](NC(=O)NNC(=O)[C@@H]1Cc2ccccc2O1)C(=O)N(C)C 752009150 DPHTUSCJVBRTLO-SKDRFNHKSA-N 320.349 -0.203 50 10 DBGE CCC(=O)NNC(=O)[C@H](C)N1CCS(=O)(=O)C(C)(C)C1 756908980 SBZLYMMSZOMZNU-VIFPVBQESA-N 305.400 -0.559 50 10 DBGE Cc1nc2ccnn2c(C)c1C(=O)NNC(=O)c1cnn[nH]1 761154244 FRDUVJZOQCLVMM-UHFFFAOYSA-N 300.282 -0.461 50 10 DBGE CN1CCN(C(=O)NNC(=O)c2cnn3c2CCCC3)CC1 773672768 JFPVOOJKBRBNBX-UHFFFAOYSA-N 306.370 -0.179 50 10 DBGE CN(C)C1(CNC(=O)NNC(=O)[C@@H]2COCCO2)CCC1 782583967 QHYKBNRIMHPZSJ-JTQLQIEISA-N 300.359 -0.784 50 10 DBGE O=C(NNC(=O)c1cnn[nH]1)c1cnc(OCC2CC2)cn1 796184255 NPLKREHPZMQYQO-UHFFFAOYSA-N 303.282 -0.542 50 10 DBGE CC(C)(C)C[C@@H](O)CC(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 813377495 FWYFMDVTQACRRU-UWVGGRQHSA-N 320.411 -0.244 50 10 DBGE CCCCCS(=O)(=O)CC(=O)NNC(=O)[C@H]1CCCO1 817213910 MIBVSWMQFYMRMS-SNVBAGLBSA-N 306.384 -0.082 50 10 DBGE C[C@H]1OCC[C@@H]1C(=O)NNC(=O)NCCCN1CCCC1=O 825525533 GDAGOHWLQFWLLZ-MNOVXSKESA-N 312.370 -0.246 50 10 DBGE C[C@]1(NNC(=O)NCC2(C(=O)O)CCC2)CCS(=O)(=O)C1 851653169 AMRYAXDXLAHJPJ-NSHDSACASA-N 319.383 -0.378 50 10 DBGE COC[C@]1(C(=O)OC)CCCN1CC(=O)NNC(=O)C(C)C 852634941 QILVHTHMBCDAGO-AWEZNQCLSA-N 315.370 -0.556 50 10 DBGE CC(C)(C)n1nnc(CC(=O)NNC(=O)[C@]2(C)CCCO2)n1 854688940 JBYYGQRXQUPNOH-ZDUSSCGKSA-N 310.358 -0.313 50 10 DBGE C[C@@H](NC(=O)NNC(=O)[C@H]1COCCO1)c1ccns1 858261827 BJPOJMNYFLSZNE-HTQZYQBOSA-N 300.340 -0.050 50 10 DBGE C[C@]12CCN(C(=O)NNC(=O)[C@H]3CCC(=O)N3)C[C@H]1C2(F)F 858700225 HRLQLGPLGACALC-RWYTXXIDSA-N 316.308 -0.017 50 10 DBGE COC(=O)[C@@H](C[C@H]1CCCOC1)NCc1ccccc1B(O)O 863892098 MKJYKISAWPZVEA-IUODEOHRSA-N 321.182 -0.186 50 10 DBGE CO[C@@H]1COCC[C@@H]1CC(=O)NNC(=O)CN1CCCC1=O 913733315 DRTUKWAGFYIFOD-GHMZBOCLSA-N 313.354 -0.802 50 10 DBGE O=C1CC[C@@H](C(=O)NNC(=O)NC[C@@H]2CCC3(CCC3)O2)N1 1235851929 NTMIDBVFHLXKTJ-UWVGGRQHSA-N 310.354 -0.303 50 10 DBGE CC(C)C(=O)NNC(=O)CN(C)[C@H](C)[C@H](C)S(C)(=O)=O 1307471981 RHDFLOBDWQANAJ-ZJUUUORDSA-N 307.416 -0.457 50 10 DBGE C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H]1CCC[C@@H](F)C1 1329159421 ZVGAMQCPJTVKAB-DJLDLDEBSA-N 309.363 -0.400 50 10 DBGE COC(=O)c1ncoc1COCC(=O)NNC(=O)CC1CC1 1331757431 NLFSIJKINQXRQZ-UHFFFAOYSA-N 311.294 -0.075 50 10 DBGE Cc1c(C(=O)NNC(=O)[C@@H]2COCCO2)cnn1CCC#N 1361112581 BDARGOAARXUSNG-NSHDSACASA-N 307.310 -0.718 50 10 DBGE O=C(Cn1ncc2cccnc21)NNC(=O)N1CCOCC1 1442468930 BGWCOAWPVWZDRQ-UHFFFAOYSA-N 304.310 -0.496 50 10 DBGE COc1ccnc(OC)c1C(=O)NNC(=O)CN1CCCC1=O 1471222272 NGYSEHBWCSKPLS-UHFFFAOYSA-N 322.321 -0.518 50 10 DBGE CC(C)(O)[C@@H](O)C(=O)NNC(=O)[C@@H]1COc2ccccc2O1 1540363517 WOZWUGXKSYKCML-QWRGUYRKSA-N 310.306 -0.894 50 10 DBGE O=C(NNC(=O)c1cc(O)nc2c1CCCC2)c1cnn[nH]1 1543027180 SCLXKQOYSLCOMF-UHFFFAOYSA-N 302.294 -0.141 50 10 DBGE Nc1nnn(CC(=O)NNc2ncccc2Br)n1 1558881828 SQCADVFYIVSBME-UHFFFAOYSA-N 313.119 -0.444 50 10 DBGE Cc1ccc2ncc(C(=O)NNC(=O)c3ncccn3)c(=O)n2c1 1584132303 ADLPYDWFVOHMHE-UHFFFAOYSA-N 324.300 -0.132 50 10 DBGE Cc1nnc(COCC(=O)NNC(=O)c2ncccn2)s1 1584136822 ZXIGGNKKNWKFEK-UHFFFAOYSA-N 308.323 -0.386 50 10 DBGE CC(C)CN1CCC(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)CC1 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303.315 -0.926 50 10 DBGE NS(=O)(=O)CCCCNC(=O)NNC(=O)c1ccccc1 1686613220 VDPZMICCPRJRRL-UHFFFAOYSA-N 314.367 -0.301 50 10 DBGE CC(C)(C)OC(=O)NC[C@H]1CC[C@@H](C(=O)NCB(O)O)O1 1885556974 IYUWLKUCPIUVDN-BDAKNGLRSA-N 302.136 -0.813 50 10 DBGE O=C1NC(=O)N2CCN(C(=O)[C@@H]3C[C@H]3Br)C[C@@H]12 1910109990 NGTALYGQSPOBMN-QYNIQEEDSA-N 302.128 -0.468 50 10 DBGE O=S(=O)(Nc1ncc(B(O)O)s1)c1ccc(Cl)o1 2035296411 GRZNQWPOZFFUMQ-UHFFFAOYSA-N 308.533 -0.130 50 10 DBGE O=C(CCl)NC(=O)NCCNS(=O)(=O)C(F)(F)F 2041588987 HLGVOUYWYPTRMH-UHFFFAOYSA-N 311.669 -0.510 50 10 DBGE O=C(CN=S1(=O)CCC1)N[C@@H]1CS(=O)(=O)C[C@@H]1Cl 2075123170 VRVJRLYIODCCPH-JGVFFNPUSA-N 314.816 -0.621 50 10 DBGE O=S(=O)(CC1CC(F)C1)NCc1cc(B(O)O)cs1 2092499952 PJOSTVCRGJXNAK-UHFFFAOYSA-N 307.177 -0.405 50 10 DBGE NNC(=O)c1ncc(CN2C[C@@H](CCO)[C@@H](CO)C2)s1 2149916257 JPAQBRJXEVUBNW-RKDXNWHRSA-N 300.384 -0.831 50 10 DBGE CN(C[C@@H]1C[C@@H]1C(=O)NN)[C@@H]1CCC[C@H](S(C)(=O)=O)C1 2160767139 LIUXMCVGHKWOST-USZNOCQGSA-N 303.428 -0.100 50 10 DBGE CO[C@H](C)CCS(=O)(=O)Nc1cc(C)ccc1B(O)O 2165539441 RQTYSALJZVRFHK-SNVBAGLBSA-N 301.173 -0.158 50 10 DBGE Cn1cnc(S(=O)(=O)N2CC(C)(C)OC[C@H]2N=C=O)c1 2165817028 ALSFPJNTNCLQPP-VIFPVBQESA-N 300.340 -0.119 50 10 DBGE NNC(=O)[C@@H]1CC[C@H](CN2CCS[C@H]3COCC[C@@H]32)O1 2170501182 AOLBAJXRROEQAT-RHYQMDGZSA-N 301.412 -0.270 50 10 DBGE O=[S@@]1CC[C@]2(CCCN2c2ncc(B(O)O)cc2Cl)C1 2172791702 HYOZNEYILQUEGE-MPBGBICISA-N 314.603 -0.094 50 10 DBGE O=C([C@@H]1[C@@H]2CS(=O)(=O)C[C@@H]21)N1C[C@@H]2OC[C@H](CCl)[C@@H]2C1 2178086459 LELLNMOPZPDZMN-UQPICLANSA-N 319.810 -0.011 50 10 DBGE C[C@H](COc1ncc(Cl)cc1B(O)O)N1CCOCC1 2186845698 CPLUOSLRLAQDSJ-SECBINFHSA-N 300.551 -0.486 50 10 DBGE CC(C)(C)OC(=O)NCC1(Oc2ncc(B(O)O)cn2)CCC1 2212609323 QFMYPUCZNDYGEB-UHFFFAOYSA-N 323.158 -0.017 50 10 DBGE OC[C@@H]1CN(c2ncc(Br)cc2B(O)O)C[C@@H]1F 2223665472 BHFPSPTZXFCMMR-RCOVLWMOSA-N 318.939 -0.710 50 10 DBGE C[C@@H]1NCCN(c2ncc(Br)cc2B(O)O)[C@H]1C 2223669986 QWACNWNARWXHQA-YUMQZZPRSA-N 313.992 -0.290 50 10 DBGE 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