smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CC(=O)NNC(=O)CCN1C[C@H](C)O[C@H](C)C1 122474503 PANQHNDRZIFNSX-DTORHVGOSA-N 243.307 -0.347 50 20 BBGD Cc1ccccc1CC(=O)NNC(=O)CO 180964410 TTZXKIMZWFPGKM-UHFFFAOYSA-N 222.244 -0.323 50 20 BBGD O=C(CO)NN=Cc1ccc(C(=O)O)cc1 393739745 AWQOSOPRLFRIEJ-UHFFFAOYSA-N 222.200 -0.173 50 20 BBGD CCO/C=C(/C#N)C(=O)N(C)[C@@H]1COC[C@H]1O 490944732 XQNXEHQCDXGLPH-MMIMJOASSA-N 240.259 -0.352 50 20 BBGD CCO[C@H]1C[C@H]1C(=O)Nc1cccc(B(O)O)c1 584910876 RVKUAIVACDEEJK-MNOVXSKESA-N 249.075 -0.270 50 20 BBGD C[C@H](Cn1cccn1)NCc1ccc(B(O)O)o1 585018433 WDVWPNUIGQPORN-SECBINFHSA-N 249.079 -0.666 50 20 BBGD C[C@H](CCO)NCc1ccc(B(O)O)cc1 585027488 AHVPTFJUGJYZGP-SECBINFHSA-N 223.081 -0.773 50 20 BBGD C[C@@H](NCc1ccc(B(O)O)cc1)C1(CO)CC1 585047877 WWCJQMJPXXKTTE-SNVBAGLBSA-N 249.119 -0.383 50 20 BBGD O=C(COc1cccc(Cl)c1)NCB(O)O 585058418 FGZBCOZOUTYIEQ-UHFFFAOYSA-N 243.455 -0.153 50 20 BBGD CSCC[C@@H](O)C(=O)NNC(=O)C1CC1 765459849 DHHOWUZFOWDEDG-SSDOTTSWSA-N 232.305 -0.342 50 20 BBGD CCCNC(=O)NNC(=O)[C@H]1CCN(C)C1=O 772451755 ZXNJZLKNAZQWJB-SSDOTTSWSA-N 242.279 -0.795 50 20 BBGD CS(=O)(=O)N1CC(CNC=C(C#N)C#N)C1 777401735 DBCFJFYXCOYZMW-UHFFFAOYSA-N 240.288 -0.602 50 20 BBGD CCNC(=O)N(C)NS(=O)(=O)NC(C)C 782477250 LTSDOFCZNCIPMH-UHFFFAOYSA-N 238.313 -0.605 50 20 BBGD CNC(=O)NNS(=O)(=O)c1ccco1 783528110 ACMMMEKNNQCLCM-UHFFFAOYSA-N 219.222 -0.598 50 20 BBGD CN(NC(=O)[C@@H]1CCC[C@H](C(N)=O)C1)C(N)=O 787199919 UEDQMJDXOVJZQS-NKWVEPMBSA-N 242.279 -0.680 50 20 BBGD COCC(=O)NN=Cc1cc(COC)on1 794919480 ZOEMIARTHAIGGO-UHFFFAOYSA-N 227.220 -0.083 50 20 BBGD CCCNC(=O)NNC(=O)[C@@](C)(O)C1CC1 804305736 UUTGWCBKBHLRPR-JTQLQIEISA-N 229.280 -0.112 50 20 BBGD CC(C)(C)C(=O)NNC(=O)[C@@H]1CCNC1=O 822252957 PXBYOMVYNJQULL-ZCFIWIBFSA-N 227.264 -0.684 50 20 BBGD COc1ccc(C(=O)NNC(=O)CO)o1 848372742 DNFROFVFNPYTSP-UHFFFAOYSA-N 214.177 -0.959 50 20 BBGD O=C(NNC(=O)[C@H](O)C1CC1)c1ccccn1 854121888 LTXPGNBBVGXHRO-SECBINFHSA-N 235.243 -0.387 50 20 BBGD O=CN1CCC[C@H]1C(=O)NNC(=O)CC1CC1 854667461 KQCLTQVWAHIGAY-VIFPVBQESA-N 239.275 -0.445 50 20 BBGD CC[C@H](C(=O)NNC(=O)c1cc[nH]n1)[C@H](C)O 857305546 JGYJQQWIYNYZOP-BQBZGAKWSA-N 240.263 -0.422 50 20 BBGD CC(C)(O)CCC(=O)NNC(=O)c1cn[nH]c1 862470524 HAQQGBCSABTAEQ-UHFFFAOYSA-N 240.263 -0.278 50 20 BBGD C[C@@H]1CN(C)CC1=NNC(=O)[C@H]1CCC(=O)N1 863148410 BKXGPOIBTMECIQ-HTQZYQBOSA-N 238.291 -0.681 50 20 BBGD CC(=O)C[C@@H](C)NC(=O)c1ccc(B(O)O)cc1 863876177 PMXYUCXRDARUJE-MRVPVSSYSA-N 249.075 -0.536 50 20 BBGD C[C@@H](O)CN(C)NC(=O)[C@H](O)c1cccnc1 910154020 BOLFIKCJDMONQH-PSASIEDQSA-N 239.275 -0.541 50 20 BBGD O=C(C[C@H]1CCOC1)NNC(=O)NC1CC1 1255772049 HSFNLCMRHMGADI-SSDOTTSWSA-N 227.264 -0.094 50 20 BBGD C[C@@H](CO)N(C)NC(=O)C[C@@H]1CCOC1 1330878672 FOEJAKKCOMRLAR-IUCAKERBSA-N 216.281 -0.243 50 20 BBGD O=S(=O)(CCCF)N1CC[C@H](B(O)O)C1 1335431475 JZOIWKYHOZWTIG-ZETCQYMHSA-N 239.077 -0.776 50 20 BBGD COC(=O)[C@H]1C[C@@H](C(=O)NNC(=O)C(C)C)C1 1338490780 BLERKKMWEPKWDU-OCAPTIKFSA-N 242.275 -0.011 50 20 BBGD NNC(=O)c1cccc(C(=O)N2CCCC2)n1 1580358545 LLEMUGDKZRVXIU-UHFFFAOYSA-N 234.259 -0.079 50 20 BBGD COC[C@H](NC(=O)NNC(=O)C(=O)O)C(C)C 1606808521 YHWLKGWMUTXWBU-LURJTMIESA-N 247.251 -0.928 50 20 BBGD O=C(NCB(O)O)c1cnn(-c2ccncc2)c1 1887473482 WWDZZGDRPLEROQ-UHFFFAOYSA-N 246.035 -0.991 50 20 BBGD CCc1nnc2n1C[C@@H](C(=O)NN)CC2 39947101 YVKIVCXVOQIILC-LURJTMIESA-N 209.253 -0.607 50 20 BBGD OB(O)c1cc(N2CCOCC2)cs1 238641711 DAYKXXIXYAJVTC-UHFFFAOYSA-N 213.067 -0.736 50 20 BBGD CC(=O)Nc1ccc(C=NNC(=O)C(N)=O)cc1 254698464 IPCYUPOYNSQENW-UHFFFAOYSA-N 248.242 -0.420 50 20 BBGD COC(=O)NNC(=O)CCOC1CCOCC1 495449092 UDOJGSZURBKCDD-UHFFFAOYSA-N 246.263 -0.041 50 20 BBGD CN1CCC(NCc2ccccc2B(O)O)CC1 585014309 NOHYIYADMRFZLN-UHFFFAOYSA-N 248.135 -0.450 50 20 BBGD CC[C@@H](O)CCNCc1cccc(B(O)O)c1 585029494 ZSXMYCUFWNJINE-GFCCVEGCSA-N 237.108 -0.383 50 20 BBGD Cc1cc(S(=O)(=O)NCB(O)O)c(C)s1 585055028 XHBCKVPYVOBEOX-UHFFFAOYSA-N 249.122 -0.345 50 20 BBGD CCCN(C)CC(=O)NNC(=O)C1CC1 730103990 MEHXGHCWUWFCKZ-UHFFFAOYSA-N 213.281 -0.114 50 20 BBGD CNC(=O)NNC(=O)[C@H](C)[C@@H](C)COC 812533533 BUQSAPGEHXERKF-NKWVEPMBSA-N 217.269 -0.135 50 20 BBGD CC(=O)N1CC(C(=O)NN(C)C2CC2)C1 819651349 JPNOLFMMNWPURM-UHFFFAOYSA-N 211.265 -0.410 50 20 BBGD CCOC(=O)[C@@H]1C[C@H]1C(=O)NN(CC)CCO 823377851 YTRSHLBLPSJGQJ-RKDXNWHRSA-N 244.291 -0.469 50 20 BBGD CCN(CCO)NC(=O)c1ncccc1O 823874179 NBLPMADMJCOJAF-UHFFFAOYSA-N 225.248 -0.254 50 20 BBGD CCN(CCO)NC(=O)[C@@H]1CC1(F)F 823889330 RMJMNAQOMFGMOG-LURJTMIESA-N 208.208 -0.013 50 20 BBGD CC#CCN(C)CC(=O)NNC(=O)C(C)C 830051573 BEXAPXRIMZCURU-UHFFFAOYSA-N 225.292 -0.255 50 20 BBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1cocn1 843650402 BSIIIPIFEBEESB-NKWVEPMBSA-N 239.231 -0.139 50 20 BBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)C(C)(C)CO 848235925 PUOTUBSJCQLHPF-SFYZADRCSA-N 244.291 -0.423 50 20 BBGD CO[C@H]1C[C@H](NCc2cccc(B(O)O)c2)C1 863892471 XTHPTGGCKCURNP-HAQNSBGRSA-N 235.092 -0.367 50 20 BBGD CC[C@@]1(C(=O)NNC(=O)OC)CCNC1=O 878001416 XVKNUALJEFKUJP-SECBINFHSA-N 229.236 -0.710 50 20 BBGD CC(=O)NNC(=O)Nc1nccnc1C 1123455912 WSUMMAFJTBIQTB-UHFFFAOYSA-N 209.209 -0.042 50 20 BBGD C[C@@H](Cc1cnc[nH]1)C(=O)NN(C)[C@@H](C)CO 1261911195 WPOJHKOZZXRPAU-IUCAKERBSA-N 240.307 -0.068 50 20 BBGD CN(C)S(=O)(=O)N1CC=C(C#N)CC1 1320061451 SDNHTIWDEACFPO-UHFFFAOYSA-N 215.278 -0.052 50 20 BBGD CCNC(=O)NNC(=O)c1cnn(CCF)c1 1324037786 WAAVUOCSMKYMQI-UHFFFAOYSA-N 243.242 -0.184 50 20 BBGD CCN(CCO)NC(=O)C1CCOCC1 1329806379 LLCBIVLQYMFPSQ-UHFFFAOYSA-N 216.281 -0.242 50 20 BBGD CO[C@@](C)(C(=O)O)C(=O)NN=c1cc[nH]cc1 1593926832 OUSLHSBKQFNVRB-SNVBAGLBSA-N 239.231 -0.564 50 20 BBGD CCNC(=O)NNC(=O)c1cnsn1 49164375 NKYPSIDNTUZVGV-UHFFFAOYSA-N 215.238 -0.498 50 20 BBGD C[C@H](OC[C@H]1CCCCO1)C(=O)NN 82463779 MCYDZPOORQMFGY-JGVFFNPUSA-N 202.254 -0.050 50 20 BBGD C[C@@H](C(=O)NN)N1C(=O)NC2(CCCC2)C1=O 113188942 NFNFRCDTMSSIJO-LURJTMIESA-N 240.263 -0.771 50 20 BBGD NC(=O)CCNS(=O)(=O)CBr 127102054 VWWYJFWHCALMLZ-UHFFFAOYSA-N 245.098 -0.866 50 20 BBGD CC(C)SCC(=O)NNC(=O)CO 308135683 FCPCOECZPZETIV-UHFFFAOYSA-N 206.267 -0.732 50 20 BBGD C[C@H](CF)NC(=O)c1cc(B(O)O)ccc1F 584990462 WOIGLWODHHAATE-ZCFIWIBFSA-N 243.018 -0.407 50 20 BBGD CC(C)[C@H](O)CNCc1ccccc1B(O)O 585025128 MMMDSNWYMGIOMW-GFCCVEGCSA-N 237.108 -0.527 50 20 BBGD CCCOCC(=O)N1CC[C@H](B(O)O)C1 585075579 HQDCJOFAVDNLCK-QMMMGPOBSA-N 215.058 -0.512 50 20 BBGD CCn1nnc(C)c1CN1CC[C@H](B(O)O)C1 585079367 ZDMRIIUCRBQORF-VIFPVBQESA-N 238.100 -0.345 50 20 BBGD CO[C@@H](C)CC(=O)NNC(=O)Cc1cc[nH]n1 755268789 MTELTXFLFZCDDS-ZETCQYMHSA-N 240.263 -0.475 50 20 BBGD CC(C)OCC(=O)NNC(=O)C(C)(C)O 768258914 BEURFUICGHCUJP-UHFFFAOYSA-N 218.253 -0.670 50 20 BBGD CC(=O)N1CCCC[C@@H]1C(=O)NN(C)C(N)=O 802961307 RBWBUUNUCNFNGR-MRVPVSSYSA-N 242.279 -0.571 50 20 BBGD CNC(=O)NCCC(=O)NN(C)C1CC1 819653435 OUZGHEBJQXEFDK-UHFFFAOYSA-N 214.269 -0.569 50 20 BBGD C[C@@H](CO)N(C)NC(=O)c1ccc(C#N)n1C 823917278 GSIOTYZSKLQEOO-QMMMGPOBSA-N 236.275 -0.146 50 20 BBGD C[C@@H](CO)N(C)NC(=O)c1cccc2nn[nH]c12 823940223 VBVHOSTZAYKPOV-ZETCQYMHSA-N 249.274 -0.085 50 20 BBGD CCC(=O)N[C@@H](C)C(=O)NN(C)[C@H](C)CO 823971318 RXEXGBXYVSQEOK-SFYZADRCSA-N 231.296 -0.755 50 20 BBGD C[C@H](NC(=O)NNC(=O)CO)C(F)(F)F 824391331 HROVSFMFPGIJQV-VKHMYHEASA-N 229.158 -0.740 50 20 BBGD COCCN(C)NC(=O)[C@@H]1CCCN1C=O 854409532 HQTPMCFXNMSTAQ-VIFPVBQESA-N 229.280 -0.783 50 20 BBGD CS(=O)(=O)CC(=O)NN=C1CCCOCC1 863187258 DVQWZMYLANRLSL-UHFFFAOYSA-N 248.304 -0.296 50 20 BBGD Cc1cc(CC(=O)NN(C)C[C@@H](C)O)on1 910154336 CAQWXZDGRXALNA-MRVPVSSYSA-N 227.264 -0.131 50 20 BBGD C[C@H](O)CN(C)NC(=O)[C@@H]1C[C@H]2CC[C@H]1O2 910168631 VBMFKIQPDQEWDZ-SGIHWFKDSA-N 228.292 -0.102 50 20 BBGD CCc1cc(C(=O)NNC(=O)N(C)C)nn1C 1116528468 OSKIIYAGGGPKLO-UHFFFAOYSA-N 239.279 -0.102 50 20 BBGD CCNC(=O)NNC(=O)c1ccc(OC)nn1 1321995524 QKFKWFIRYCMBBL-UHFFFAOYSA-N 239.235 -0.551 50 20 BBGD CC(=O)NNc1nc(O)c2cnn(C)c2n1 1322738373 JUXDVFCYEWFCMW-UHFFFAOYSA-N 222.208 -0.468 50 20 BBGD O=CN1CCC[C@H]1C(=O)NNc1cccnn1 1331155290 HFZHSHVCMAMUTI-QMMMGPOBSA-N 235.247 -0.460 50 20 BBGD Cc1cnn(C)c1C(=O)NN(C)C[C@@H](C)O 1333348470 ZZLMTLWCAVHICR-MRVPVSSYSA-N 226.280 -0.314 50 20 BBGD C[C@H](O)CN(C)NC(=O)c1cc(N)ccn1 1347685783 VSXWQRSSSGWGBW-ZETCQYMHSA-N 224.264 -0.379 50 20 BBGD C[C@@]1(C(=O)NCCCSC#N)C[C@H](O)CN1 1573598493 YSCKVHVIMIUAKO-WPRPVWTQSA-N 243.332 -0.180 50 20 BBGD C#CCOCCC(=O)NNC(=O)OC 158751413 OUCSVFCBHHSRQY-UHFFFAOYSA-N 200.194 -0.587 50 20 BBGD CCNC(=O)N(C)NC(=O)Cc1cnn(C)c1 272701357 UOESZURAIPVUML-UHFFFAOYSA-N 239.279 -0.345 50 20 BBGD CCOC(=O)NCC(=O)NNC(=O)C(C)C 490734963 VQRODSIBASWRNV-UHFFFAOYSA-N 231.252 -0.464 50 20 BBGD CCC1CN(C(=O)c2ccc(B(O)O)cc2)C1 584998922 SONXLNXSIGRBKI-UHFFFAOYSA-N 233.076 -0.152 50 20 BBGD COCc1cccc(C(=O)NCB(O)O)c1 585058164 UWJIXEPLRXQFTM-UHFFFAOYSA-N 223.037 -0.425 50 20 BBGD C[C@H]1C[C@@H](C)O[C@@H]1C(=O)N1CC[C@@H](B(O)O)C1 585064751 SUKAIHHKRTXZHP-JLIMGVALSA-N 241.096 -0.125 50 20 BBGD OB(O)[C@@H]1CCN(C[C@H]2CCCOC2)C1 585077569 VVXKBMLJDFJIBI-NXEZZACHSA-N 213.086 -0.038 50 20 BBGD CC(C)CC(=O)NNC(=O)[C@@H]1C[C@@H]1C(=O)O 736401181 DJRUVKJBCUUCLJ-RQJHMYQMSA-N 228.248 -0.099 50 20 BBGD C[C@H](O)CCN(C)CC(=O)NNC(=O)C1CC1 744406969 PEXOHMNXKKJHJD-QMMMGPOBSA-N 243.307 -0.754 50 20 BBGD CC(=O)NCC(=O)NNc1ccccn1 777471642 VMIZIWLWKLGRIL-UHFFFAOYSA-N 208.221 -0.339 50 20 BBGD CN(NC(=O)c1ccc2cccnn12)C(N)=O 778412854 SVMBCMUBIZBKBT-UHFFFAOYSA-N 233.231 -0.010 50 20 BBGD C=CCNC(=S)NNC(=O)NCC(=O)OC 779721897 VEQWSRZPGUDTKG-UHFFFAOYSA-N 246.292 -0.976 50 20 BBGD Cn1ccc(C=NNC(=O)c2cnccn2)n1 814793149 DBPMLFCDHZWLFL-UHFFFAOYSA-N 230.231 -0.026 50 20 BBGD C[C@@H](C(=O)NNC(=O)[C@H]1CCCCO1)N(C)C 823236801 FTBOMJMJHJKLRH-DTWKUNHWSA-N 243.307 -0.347 50 20 BBGD COCCCOCCC(=O)NN(C)[C@H](C)CO 823912452 GPMAJRZJUMCOCV-SNVBAGLBSA-N 248.323 -0.227 50 20 BBGD CCN1CCOC[C@@H]1C(=O)NN(C)CCOC 837627346 SKPMCMSTKXNAQJ-SNVBAGLBSA-N 245.323 -0.684 50 20 BBGD O=C(NN=c1cc[nH]cc1)[C@@H]1C[C@H]1[N+](=O)[O-] 839721322 SSKVXBLQNZWACW-HTQZYQBOSA-N 222.204 -0.388 50 20 BBGD CCCn1cc(C=NNC(=O)CO)nn1 872362073 CVJGTTCMBMWAKS-UHFFFAOYSA-N 211.225 -0.870 50 20 BBGD CCOCCC(=O)NN(C)C[C@H](C)O 910166049 RGUSFSWQZIACCV-QMMMGPOBSA-N 204.270 -0.243 50 20 BBGD COCC(=O)NNC(=S)NC1CCOCC1 1319152902 IJKFQGOJGGDZLY-UHFFFAOYSA-N 247.320 -0.693 50 20 BBGD CC(=O)N[C@@H](C)C(=O)NNc1ncncc1F 1324304857 PCBJDJFZFPRZBT-YFKPBYRVSA-N 241.226 -0.417 50 20 BBGD C[C@@H]1CC(=NNC(=O)C(N)=O)CC[C@H]1C(=O)O 1327798119 QBKXPMSPKIWTFS-IYSWYEEDSA-N 241.247 -0.535 50 20 BBGD Cc1nccc(C(=O)NNc2nc[nH]n2)n1 1330424757 QIYWTXFKJKGNCW-UHFFFAOYSA-N 219.208 -0.340 50 20 BBGD CO[C@@]1(C=NNC(=O)c2ncon2)CCOC1 1336039029 FFWNGPNXLSNJBT-SECBINFHSA-N 240.219 -0.409 50 20 BBGD Cc1ccc(S(N)(=O)=O)cc1C(=O)N(C)N 1574156636 NEJSEBQVILKWSJ-UHFFFAOYSA-N 243.288 -0.412 50 20 BBGD C[C@@](O)(CC(=O)NNC(=O)[C@H]1CCN1)C1CC1 1576257909 GMYNOMPFEHRRQH-LDYMZIIASA-N 241.291 -0.953 50 20 BBGD CCO/C=C(\C#N)C(=O)N(C)CC(=O)O 1596862122 MZJDYLCAOMZVMU-VOTSOKGWSA-N 212.205 -0.027 50 20 BBGD CNC(=S)N(C)NC(=O)[C@H]1C[C@H]1C(=O)O 1598662096 SEDXMZVICCOKJC-CRCLSJGQSA-N 231.277 -0.826 50 20 BBGD COC(=O)[C@@H](O)[C@@H](Br)C(=O)OC 39119375 XYDORVLTGSLFMB-DMTCNVIQSA-N 241.037 -0.543 50 20 BBGD Cc1conc1NC(=O)NNC(=O)CN(C)C 119694847 IYAORNVLJRZNRO-UHFFFAOYSA-N 241.251 -0.303 50 20 BBGD CCNC(=O)NNC(=S)NCCN(C)C 144920949 ARVQGTRDDIFBAF-UHFFFAOYSA-N 233.341 -0.754 50 20 BBGD Cc1cnn(-c2ccc(B(O)O)s2)c1 238494988 WXSPYSURHCNQNW-UHFFFAOYSA-N 208.051 -0.078 50 20 BBGD NC(=O)C(=O)NN=Cc1ccc(O)cc1 254867978 OWDZCPWOWSPWRC-UHFFFAOYSA-N 207.189 -0.672 50 20 BBGD COC(=O)C[C@H](C)C(=O)NN(C)C(=O)OC 286476100 UXNWJDALXVRGMV-LURJTMIESA-N 232.236 -0.085 50 20 BBGD C[C@@H](O)C1(NC(=O)c2cccc(B(O)O)c2)CC1 585006073 QWXWOYDBXIFCMZ-MRVPVSSYSA-N 249.075 -0.990 50 20 BBGD CCOCCCNCc1cccc(B(O)O)c1 585015223 SYZUURBSONRBJM-UHFFFAOYSA-N 237.108 -0.117 50 20 BBGD OB(O)c1ccc(CNCCN2CCC2)cc1 585029028 BENKMSZNGCUCSZ-UHFFFAOYSA-N 234.108 -0.838 50 20 BBGD OB(O)c1ccc(CN[C@H]2CCOC2)cc1 585030255 QAJHZASUPARMBJ-NSHDSACASA-N 221.065 -0.755 50 20 BBGD OC[C@@H]1CC[C@H](NCc2ccc(B(O)O)o2)C1 585043854 UNWLFALNUWVTKS-BDAKNGLRSA-N 239.080 -0.790 50 20 BBGD C=CCNC(=S)NNC(=O)[C@@H]1C[C@@H]1C(=O)O 736105609 ALJWOPOVHYKUAS-RITPCOANSA-N 243.288 -0.612 50 20 BBGD COC(=O)CNC(=O)NN=Cc1ccn(C)c1 779817644 LHBGWLBIULMDEC-UHFFFAOYSA-N 238.247 -0.169 50 20 BBGD CCN(CCO)NC(=O)c1nccn2ccnc12 823860622 WFORLEHYIJABOA-UHFFFAOYSA-N 249.274 -0.312 50 20 BBGD C=CCNC(=S)NNC(=O)[C@@H](COC)OC 854185549 BGSCOGOVMHLPFZ-SSDOTTSWSA-N 247.320 -0.671 50 20 BBGD CNC(=S)N(C)NC(=O)COC(C)C 854926159 SZECCUCEGJQMJO-UHFFFAOYSA-N 219.310 -0.121 50 20 BBGD CNC(=S)N(C)NC(=O)CCC(C)=O 854929484 JTRLHDPZMGJUDH-UHFFFAOYSA-N 217.294 -0.177 50 20 BBGD O=C1CC[C@H](C(=O)NNC(=O)c2cn[nH]c2)C1 862469367 IPLYTGVUECGCPW-LURJTMIESA-N 236.231 -0.460 50 20 BBGD CCn1nccc1C=NNC(=O)[C@H]1CCC(=O)N1 863147184 AKSUJTSYTJZPAW-SECBINFHSA-N 249.274 -0.368 50 20 BBGD CO[C@@H](C)C(C)=NNC(=O)[C@@H]1CCC(=O)N1 863149003 OLRMCDAJGZMYPY-YUMQZZPRSA-N 227.264 -0.208 50 20 BBGD N#CC1=CCN(C(=O)Cn2cncn2)CC1 1116577770 WASLRGPYIFXAEI-UHFFFAOYSA-N 217.232 -0.040 50 20 BBGD Cn1cc(CCC(=O)NNc2cnnn2C)cn1 1324334733 NQZZYLCBVKDOOE-UHFFFAOYSA-N 249.278 -0.376 50 20 BBGD O=C(CC1CC1)NNC(=O)[C@@H]1CCC(=O)N1 1332144720 YSBRDGHKTAVHOF-ZETCQYMHSA-N 225.248 -0.788 50 20 BBGD CN(NC(=O)[C@H]1CCc2n[nH]cc2C1)C(N)=O 1337548934 HWIXBUQLCYMBLM-LURJTMIESA-N 237.263 -0.444 50 20 BBGD C[C@@]1(C(=O)NNc2ccncn2)CCNC1=O 1352228311 JOVKHWUEVMSNHB-SNVBAGLBSA-N 235.247 -0.554 50 20 BBGD COC(=O)NNC(=O)C(C)(C)C(=O)O 1593858291 KODNKJJBMZQFSU-UHFFFAOYSA-N 204.182 -0.516 50 20 BBGD CC(C)NC(=O)NNC(=O)c1csnn1 49468033 REJXWFMYWBSELD-UHFFFAOYSA-N 229.265 -0.110 50 20 BBGD Cc1cccc(C(=O)NNC(=O)CN(C)C)n1 113426731 BQUHTKHOFXGBHA-UHFFFAOYSA-N 236.275 -0.287 50 20 BBGD COc1nccc(NC(=O)NNC(C)=O)n1 282788000 YHTPRNDDABLTNF-UHFFFAOYSA-N 225.208 -0.342 50 20 BBGD CSc1ccc(O)c(C(=O)NCB(O)O)c1 585062958 PXVQJZXXYSUCGI-UHFFFAOYSA-N 241.077 -0.144 50 20 BBGD CN(C)C(=O)NNC(=O)[C@H]1CCCOC1 727737585 VGWCJQUPFATOJC-ZETCQYMHSA-N 215.253 -0.285 50 20 BBGD CC(=O)NCC(=O)NNc1ccc(Cl)nn1 735687349 DUVWAGRWOIJVNZ-UHFFFAOYSA-N 243.654 -0.291 50 20 BBGD O=C(NNC(=O)[C@H]1C[C@H]1C(=O)O)NC1CC1 739454851 VTEGWXQIPUPWIR-NTSWFWBYSA-N 227.220 -0.800 50 20 BBGD CC(=O)NCC(=O)NN=c1cc[nH]cc1 780761771 BDTVTKSWBLIKQA-UHFFFAOYSA-N 208.221 -0.917 50 20 BBGD N#C/C(=C\C1CC1)C(=O)OCC(=O)NC(N)=O 786675818 MJCFRCNSSCMRNO-XVNBXDOJSA-N 237.215 -0.416 50 20 BBGD C/C=C(\C)C(=O)NNC(=O)[C@H]1CCC(=O)N1 862456811 UDYOAJQJBSXJEP-XUTFHDRNSA-N 225.248 -0.621 50 20 BBGD CCOC(=O)NNC(=O)[C@]1(CC)CCNC1=O 864430052 LXJMRFRVPZGCHX-SNVBAGLBSA-N 243.263 -0.320 50 20 BBGD CN(C)CC1(C(=O)N2CC[C@H](B(O)O)C2)CC1 902552404 KMOQOCMRVNLDHT-VIFPVBQESA-N 240.112 -0.597 50 20 BBGD CCCNC(=O)NNC(=O)Cn1cncn1 921039786 YYFULIPCTWYFJK-UHFFFAOYSA-N 226.240 -0.982 50 20 BBGD COCCN(C)NC(=O)C(=O)c1cnn(C)c1 1261244891 HXQKOJSGUOTPBF-UHFFFAOYSA-N 240.263 -0.788 50 20 BBGD CCc1cc(C(=O)N2CC[C@@H](B(O)O)C2)no1 1262159877 MCUFCFVPHDWDAD-SSDOTTSWSA-N 238.052 -0.074 50 20 BBGD Cn1nccc1C(=O)NNc1cccnn1 1320175304 PVWVLPPCXNRZKO-UHFFFAOYSA-N 218.220 -0.033 50 20 BBGD CNC(=O)NNC(=O)c1nn(C)cc1Cl 1334939974 UXDJBQSRGGDHMN-UHFFFAOYSA-N 231.643 -0.353 50 20 BBGD C[C@H](C(=O)NNC(=O)C1CC1)n1cncn1 1336745586 TYKKRKBUYIYJLH-ZCFIWIBFSA-N 223.236 -0.604 50 20 BBGD CO[C@@H]1CCC[C@H]1C(=O)NNC(C)=O 1336748552 HILNZOLCUSHNBN-HTQZYQBOSA-N 200.238 -0.031 50 20 BBGD CCNC(=O)NNC(=O)CCc1cncn1C 1344378825 WQGOUMARWVTATL-UHFFFAOYSA-N 239.279 -0.297 50 20 BBGD Cc1cc(C)nc(NNC(=O)COCCN)n1 1345733765 UCOBKTOYXOFVPM-UHFFFAOYSA-N 239.279 -0.488 50 20 BBGD CC(C)(N)CC(=O)NNC(=O)c1ncccn1 1573483847 WXTNJKMOTUNCLS-UHFFFAOYSA-N 237.263 -0.635 50 20 BBGD COCCN(C)NC(=O)[C@@H](C(=O)O)C(C)C 1593995647 LITHHWLCMNKQQJ-QMMMGPOBSA-N 232.280 -0.047 50 20 BBGD Cc1c[nH]ccc1=NNC(=O)NCCC(=O)O 1594434038 SVJMKHQIZVDOFJ-UHFFFAOYSA-N 238.247 -0.087 50 20 BBGD COc1cc(C(=O)O)ccc1NNC(=O)CO 1607140722 YXIIFJRGPDSQKR-UHFFFAOYSA-N 240.215 -0.171 50 20 BBGD COC(=O)CNS(=O)(=O)CCCCl 36881363 ARMKIWRUWOTVLN-UHFFFAOYSA-N 229.685 -0.292 50 20 BBGD CO[C@@H](C)C(=O)NNC(=O)NC1CC1 49144694 FFMDKVNTZVSLJS-YFKPBYRVSA-N 201.226 -0.486 50 20 BBGD Cc1ccc(C=NNC(=O)C(N)=O)cc1 308750865 LSXSOIWGTPZHGG-UHFFFAOYSA-N 205.217 -0.070 50 20 BBGD COC(=O)NCCC(=O)NNc1cnccn1 491498431 HCICXBGCZICAQX-UHFFFAOYSA-N 239.235 -0.334 50 20 BBGD CSCCNCc1ccc(B(O)O)o1 585045564 IXOANFWBAHVVCQ-UHFFFAOYSA-N 215.083 -0.588 50 20 BBGD CN(NC(=O)[C@@]1(C)CCCOC1)C(N)=O 781352767 GZSIZPNQIWRGIH-VIFPVBQESA-N 215.253 -0.155 50 20 BBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@H]1CCOC1 792625851 HIIGYXMADLIBFN-XHNCKOQMSA-N 242.275 -0.405 50 20 BBGD CCCCNC(=O)NNC(=O)CC1OCCO1 793200223 FRVSHIAXQALRAY-UHFFFAOYSA-N 245.279 -0.120 50 20 BBGD CN1CCC[C@H]1C(=O)NNC(=O)c1cccnc1 823783379 FVLOLXVJDDJLGB-JTQLQIEISA-N 248.286 -0.063 50 20 BBGD CCN(CCO)NC(=O)c1cnn2ncccc12 823873614 FAIRKMYHEVPUGN-UHFFFAOYSA-N 249.274 -0.312 50 20 BBGD CCc1cccc(C(=O)NNC(=O)CO)n1 827896019 YEACFVQYYVDGLW-UHFFFAOYSA-N 223.232 -0.603 50 20 BBGD CC[C@@H](N)CNS(=O)(=O)CBr 850587818 KZSMEIVTGYWPPZ-RXMQYKEDSA-N 245.142 -0.005 50 20 BBGD CCNC(=O)N(C)NC(=O)[C@H]1CCO[C@@H]1CN 852884817 OXYOMRVFJHGKKU-JGVFFNPUSA-N 244.295 -0.957 50 20 BBGD CNC(=S)N(C)NC(=O)C(C)(C)OC(C)=O 854923091 ZDQNVRDVKVCKPF-UHFFFAOYSA-N 247.320 -0.205 50 20 BBGD CCO[C@H](C)C(=O)NNC(=O)NCCCOC 920862603 BVQYKRZBZNGNIA-MRVPVSSYSA-N 247.295 -0.222 50 20 BBGD COC(OC)C(=O)NNC(=O)NC1CC1 1119038620 KPDPEKUWDDZMDL-UHFFFAOYSA-N 217.225 -0.902 50 20 BBGD Cc1nonc1CC(=O)NNc1ccncn1 1331165295 OPESRDKIBWCEBF-UHFFFAOYSA-N 234.219 -0.146 50 20 BBGD CNC(=S)N(C)NC(=O)c1ccnnc1C 1331204091 PYWFHRHOTBWQTA-UHFFFAOYSA-N 239.304 -0.134 50 20 BBGD Cc1cccc(O)c1C(=O)NNC(=O)[C@H]1CCN1 1579771738 IXSDWVCFVBTJLT-MRVPVSSYSA-N 249.270 -0.176 50 20 BBGD Cn1nncc1NNC(=O)[C@]12C[C@H]1CCCN2 1580026475 HVHZMRREUHVUFN-XCBNKYQSSA-N 236.279 -0.600 50 20 BBGD NNC(=O)[C@H]1CCCN(C(=O)c2ccncc2)C1 66151807 RLMFIEKIIADUSV-JTQLQIEISA-N 248.286 -0.076 50 20 BBGD CCC(CC)NC(=O)C(=O)NNC(=O)C1CC1 77164101 CLSIWHBTEXMPTO-UHFFFAOYSA-N 241.291 -0.151 50 20 BBGD COCC(=O)NNC(=O)Nc1ccncc1 128224769 PMUILQUPGWHXKW-UHFFFAOYSA-N 224.220 -0.119 50 20 BBGD COc1cc(NC(=O)NNC(C)=O)ncn1 274195556 MXDZFCUTKSIOFI-UHFFFAOYSA-N 225.208 -0.342 50 20 BBGD C[C@@H](NS(=O)(=O)CBr)C(=O)O 275043960 HJQAJBBDAVEIKQ-GSVOUGTGSA-N 246.082 -0.269 50 20 BBGD CC(=O)NCC(=O)NNc1ncccc1C 276803389 YPSVSLBHVCUSAT-UHFFFAOYSA-N 222.248 -0.031 50 20 BBGD Cn1ccc(CN2CC[C@@H](B(O)O)C2)n1 585076778 OGPQZSVFOWDVSG-MRVPVSSYSA-N 209.058 -0.531 50 20 BBGD CC(=O)N[C@H](C(=O)NN(C)C(N)=O)C(C)C 770531383 AVJWUXRAWZBTLB-ZETCQYMHSA-N 230.268 -0.811 50 20 BBGD CC(C)(O)C(=O)NNC(=O)c1nccs1 772640701 OCDCZQDKCYDHIJ-UHFFFAOYSA-N 229.261 -0.325 50 20 BBGD C=CCn1cc(C(=O)NN(C)[C@@H](C)CO)nn1 823913641 YQMWZPUTRFGTGR-QMMMGPOBSA-N 239.279 -0.579 50 20 BBGD CCNC(=O)CCC(=O)NN(C)[C@@H](C)CO 823959343 GPVUTDPMXKIBPD-QMMMGPOBSA-N 231.296 -0.754 50 20 BBGD C[C@H](CBr)CNC(CO)CO 846938231 IHLTYGMFAPLESX-ZCFIWIBFSA-N 226.114 -0.040 50 20 BBGD CCNC(=O)NNC(=O)C[C@@H](C)CC(=O)OC 847391201 UTPUUNFZEZFUPW-SSDOTTSWSA-N 245.279 -0.074 50 20 BBGD NC(=O)[C@H]1CC[C@H]1C(=O)NN=c1cc[nH]cc1 847690704 MWBCQQLXFNHBCE-DTWKUNHWSA-N 234.259 -0.542 50 20 BBGD CCO/C=C(\C#N)C(=O)N[C@@H]1COC[C@@H]1O 869936628 GYSNFXYLPRHAES-CNTVWIKJSA-N 226.232 -0.694 50 20 BBGD C[C@@H](C(=O)NNC(=O)N(C)C)c1cnccn1 1119564356 REFUGCPSZYDROR-SSDOTTSWSA-N 237.263 -0.118 50 20 BBGD NC(=O)C(=O)NN=Cc1ccc(Cl)nc1 1318924241 RTEMQHFVRQEJSE-UHFFFAOYSA-N 226.623 -0.330 50 20 BBGD O=C(NNc1nc2ccccn2n1)c1nc[nH]n1 1321051273 RDHHVPXQHNEEAW-UHFFFAOYSA-N 244.218 -0.396 50 20 BBGD Cc1ncncc1C(=O)NNC(=O)C(C)(C)O 1321192963 AGRPTQDRYLFANQ-UHFFFAOYSA-N 238.247 -0.683 50 20 BBGD COC(=O)NNC(=O)c1ccnc(C)n1 1325553000 DNZAPPGKYKCPMF-UHFFFAOYSA-N 210.193 -0.214 50 20 BBGD Cc1c(C#N)cccc1C(=O)NNC(=O)CO 1327142011 YTSJMQHAROTJCG-UHFFFAOYSA-N 233.227 -0.380 50 20 BBGD COCCNC(=S)NNC(=O)c1cn[nH]c1 1329111015 OKEZBLSOWVDFPM-UHFFFAOYSA-N 243.292 -0.835 50 20 BBGD CCn1cc(C=NNC(=O)CCO)nn1 1335209890 WBWSDOKQHUUIKC-UHFFFAOYSA-N 211.225 -0.870 50 20 BBGD CC[C@](C)(N)C(=O)NNC(=O)c1ccnnc1 1574073759 KXHROAZAAJFROA-JTQLQIEISA-N 237.263 -0.635 50 20 BBGD N[C@H]1C[C@@H](C(=O)NNC(=O)c2cnsn2)C1 1574287615 UKQQOKASQZAFQC-SYDPRGILSA-N 241.276 -0.964 50 20 BBGD CN(C)C(=O)NNC(=O)[C@@]1(CN)CCCOC1 1578402985 IETRCAXMIDSRLP-SNVBAGLBSA-N 244.295 -0.956 50 20 BBGD CN(NC(=O)c1cc(-c2nn[nH]n2)c[nH]1)C1CC1 1604826925 NVPYZWBQYXIRQK-UHFFFAOYSA-N 247.262 -0.066 50 20 BBGD CC[C@@H](C)[C@H](NNC(=O)C(=O)OC)C(=O)O 1604949056 YBYIJVRPAKWBEH-RITPCOANSA-N 232.236 -0.721 50 20 BBGD NNC(=O)CCN1CCN(c2ccccn2)CC1 104105943 MRPAEDSYYGGBRB-UHFFFAOYSA-N 249.318 -0.416 50 20 BBGD C#CCCCNC(=O)NNC(=O)COCC 173330846 IMDRYWKKIVHFFA-UHFFFAOYSA-N 227.264 -0.233 50 20 BBGD CCN(CC(=O)NN(C)C(N)=O)C1CC1 182638744 KMGRDIWWLXTUFJ-UHFFFAOYSA-N 214.269 -0.488 50 20 BBGD CC(C)(C#N)C(=O)NNC(=O)[C@@H]1CCCO1 294143628 UTVVXDJXTZKQOO-ZETCQYMHSA-N 225.248 -0.137 50 20 BBGD O=C(NNC(=O)[C@@H]1CCCO1)c1cnc[nH]1 294588393 IFAKYWLWSWZMTD-ZETCQYMHSA-N 224.220 -0.650 50 20 BBGD COC1CC(C(=O)Nc2cccc(B(O)O)c2)C1 584912711 UQYUKKJLRLAIGB-UHFFFAOYSA-N 249.075 -0.270 50 20 BBGD Cc1cnn(CCNCc2ccc(B(O)O)o2)c1 585022129 TXXZDZVZADGGTE-UHFFFAOYSA-N 249.079 -0.746 50 20 BBGD OB(O)c1ccc(CNC[C@@H]2CC[C@@H](O)C2)o1 585037543 BELDPRVNFNTNPG-RKDXNWHRSA-N 239.080 -0.790 50 20 BBGD CO[C@H](C)[C@@H](C)NCc1cccc(B(O)O)c1 585042087 ZJZMBOBIJKYKNB-NXEZZACHSA-N 237.108 -0.121 50 20 BBGD OB(O)c1ccccc1CNCC12CC(CO1)C2 585049198 LEUZPTFJWIVYAI-UHFFFAOYSA-N 247.103 -0.365 50 20 BBGD CC(C)(C)[C@@H](O)C(=O)NNC(=O)C1CC1 735834469 AXCHTMIHQSQONP-ZETCQYMHSA-N 214.265 -0.049 50 20 BBGD COCC(=O)NNC(=O)Nc1cc(C)n(C)n1 757755264 ZTJANYQGZLZXJY-UHFFFAOYSA-N 241.251 -0.472 50 20 BBGD CC(C)C(=O)NNC(=O)c1cncnc1 760621029 NOOMIWHNQTUDNI-UHFFFAOYSA-N 208.221 -0.106 50 20 BBGD CCOC1CC(C(=O)NNC(=O)NC)C1 805168570 RGTHQGQLJZOVLE-UHFFFAOYSA-N 215.253 -0.238 50 20 BBGD CNC(=O)NNC(=O)[C@H](C)[C@H](C)COC 812533534 BUQSAPGEHXERKF-RNFRBKRXSA-N 217.269 -0.135 50 20 BBGD CCOC(=O)NCC(=O)NN(CC)CCO 823846191 FALLLMDVUANVDN-UHFFFAOYSA-N 233.268 -0.922 50 20 BBGD CC(C)[C@@H](C(=O)NNc1cnnn1C)N(C)C 857271527 PEEJDVDTHCOZGO-VIFPVBQESA-N 240.311 -0.156 50 20 BBGD CO[C@@]1(C(=O)NN(C)C(N)=O)CCSC1 897278269 QFCCUXBBLXYCTF-QMMMGPOBSA-N 233.293 -0.450 50 20 BBGD COC(=O)C[C@H](C)C(=O)NN(C)C[C@@H](C)O 910165044 DTRFDWCTWHTJEU-JGVFFNPUSA-N 232.280 -0.471 50 20 BBGD COC(=O)C(=O)NNC(=O)NC[C@@H](C)SC 1116363983 AIQVIINDCQLSFV-RXMQYKEDSA-N 249.292 -0.759 50 20 BBGD Cn1nc(C(=O)NN=c2cc[nH]cc2)cc1O 1261776712 CRBCAQVMGCSGGC-UHFFFAOYSA-N 233.231 -0.301 50 20 BBGD Cn1ccc(C(=O)NNC(=O)NC2CC2)n1 1321458123 HAZZLARVDNSFJH-UHFFFAOYSA-N 223.236 -0.474 50 20 BBGD COC(=O)C(=O)NN=C(C)c1csnn1 1324253954 OUWRCKCCSYJEAN-UHFFFAOYSA-N 228.233 -0.449 50 20 BBGD O=CN1CCC[C@H]1C(=O)NNc1ncccn1 1327775638 ZIXGRXCLJFLAQF-QMMMGPOBSA-N 235.247 -0.460 50 20 BBGD Cn1cc([C@H](O)C(=O)NNc2ccncn2)cn1 1328607282 XAXXOIVYUSAIPL-VIFPVBQESA-N 248.246 -0.613 50 20 BBGD O=C(Cc1ccncc1)N1CC[C@H](B(O)O)C1 1331897243 VOSQJYBOOGMAKS-JTQLQIEISA-N 234.064 -0.301 50 20 BBGD CN(NC(=O)c1cc(C(N)=O)cs1)C(N)=O 1337072954 LRIHVCWFPUDGMH-UHFFFAOYSA-N 242.260 -0.498 50 20 BBGD CC1(NC(=O)c2cc(B(O)O)ccc2F)CC1 1351789640 GDOYGKLYEWMDSP-UHFFFAOYSA-N 237.039 -0.212 50 20 BBGD CC(C)C(=O)NNC(=O)[C@H]1CC(C(=O)O)=NO1 1588799449 ILLLRGAMWLVHPX-ZCFIWIBFSA-N 243.219 -0.981 50 20 BBGD O=C(NNc1nc[nH]n1)c1ccnc(C(=O)O)c1 1601562923 BNEUTPCLERDVNO-UHFFFAOYSA-N 248.202 -0.345 50 20 BBGD O=C(NNC(=O)C(=O)O)NOCC1CCC1 1608477928 PTVJLWMVEKERPG-UHFFFAOYSA-N 231.208 -0.867 50 20 BBGD CCCCNC(=O)NNC(=O)CCNC(N)=O 49128286 BCIXXBPVVJVYCN-UHFFFAOYSA-N 245.283 -0.825 50 20 BBGD CO[C@H](C)C(=O)NNC(=O)NC1CC1 49144696 FFMDKVNTZVSLJS-RXMQYKEDSA-N 201.226 -0.486 50 20 BBGD CCn1cc(NCc2ccc(B(O)O)o2)cn1 585031641 IKGKWMZBVWCWAT-UHFFFAOYSA-N 235.052 -0.212 50 20 BBGD C[C@@H](C#N)CNCc1ccc(B(O)O)cc1F 585034088 GJLRBKLVTOWAEH-QMMMGPOBSA-N 236.055 -0.245 50 20 BBGD Cc1cnc(N2CC[C@H](B(O)O)C2)nc1 585078421 DIQDFZGAWVHHNO-QMMMGPOBSA-N 207.042 -0.162 50 20 BBGD CCCNC(=O)NNC(=O)C(C)(C)C(N)=O 767742352 VTZUUUZMSYRXOT-UHFFFAOYSA-N 230.268 -0.762 50 20 BBGD CNC(=O)C(=O)NNc1ccccc1[N+](=O)[O-] 789705976 JFIYOMVWTQJYBK-UHFFFAOYSA-N 238.203 -0.216 50 20 BBGD CC(=O)NNC(=O)[C@H]1CCCCN1C(C)=O 794743905 IXKYYDCCCMOBRP-SECBINFHSA-N 227.264 -0.445 50 20 BBGD COCCC(=O)NNC(=O)N=c1cc[nH]cc1 802024374 NXCYAFWDWUQMHC-UHFFFAOYSA-N 238.247 -0.307 50 20 BBGD C#CC(=O)NNc1ccc(C(=O)O)cn1 833360867 QBGFPAATUJSKON-UHFFFAOYSA-N 205.173 -0.144 50 20 BBGD CNC(=O)NCC(=O)NN=c1cc[nH]c(C)c1 862514535 PZMUYQIGLZPVGH-UHFFFAOYSA-N 237.263 -0.816 50 20 BBGD COC(=O)NNC(=O)c1cnn2cccnc12 1320255224 WSMCJSIEQRMBPC-UHFFFAOYSA-N 235.203 -0.270 50 20 BBGD CCNC(=O)NNC(=O)c1ccc(C(N)=O)o1 1322831889 WQYUGUMMMKVZQL-UHFFFAOYSA-N 240.219 -0.658 50 20 BBGD CCNC(=O)NNC(=O)[C@H](C)Cc1cnc[nH]1 1329041062 WQGKHPFWHLQLOI-SSDOTTSWSA-N 239.279 -0.061 50 20 BBGD Cc1cnn(CC(=O)N2CC[C@@H](B(O)O)C2)c1 1351730193 VFFHGULVSYTLNS-SECBINFHSA-N 237.068 -0.733 50 20 BBGD C=CCNC(=S)NNC(=O)CCCC(=O)O 1588465576 UOPNLPDWDBZAKF-UHFFFAOYSA-N 245.304 -0.077 50 20 BBGD C[C@@H](CO)N(C)NC(=O)C[C@@H](C)CC(=O)O 1592391312 HKRGZMPXZIDXBF-SFYZADRCSA-N 232.280 -0.169 50 20 BBGD CC(=O)NNC(=O)c1ccc([N+](=O)[O-])o1 38174792 MDJZSGSHDZSOBH-UHFFFAOYSA-N 213.149 -0.031 50 20 BBGD C[C@H](O)CN(CCO)S(=O)(=O)CCl 308205614 HPZLQRUEHLVSAI-LURJTMIESA-N 231.701 -0.812 50 20 BBGD CCO/C=C(/C#N)C(=O)NC[C@]1(O)CCOC1 490784438 ZIVJWFAKSRGWED-DHHDDZJSSA-N 240.259 -0.302 50 20 BBGD COC(=O)NNC(=O)CCOC[C@H]1CCCO1 495366659 GTTKPSNOOAEZLJ-MRVPVSSYSA-N 246.263 -0.041 50 20 BBGD C[C@H]1C[C@@]1(C)NC(=O)c1ccc(B(O)O)cc1 585010672 WJNOYWHOZRBUTJ-QPUJVOFHSA-N 233.076 -0.105 50 20 BBGD CCC(=O)NNC(=O)[C@H](C)N1CCC[C@@H](O)C1 732195208 KDTVNLHUZOIARB-DTWKUNHWSA-N 243.307 -0.611 50 20 BBGD O=C(NNC(=O)c1ccc[nH]1)c1ncccn1 743290552 MKVKUCBDPQXCGN-UHFFFAOYSA-N 231.215 -0.121 50 20 BBGD C=CCOCC(=O)NNC(=O)Cc1ccncc1 747322879 ROKYYEQFVAVETQ-UHFFFAOYSA-N 249.270 -0.026 50 20 BBGD CN(NC(=O)CCOC[C@H]1CCCO1)C(N)=O 770438126 KQGAIMLNBCOULK-MRVPVSSYSA-N 245.279 -0.386 50 20 BBGD CNC(=O)NNC(=O)[C@@H]1CO[C@@H](C)C1 784143959 GFUOVYIWTXHUPH-WDSKDSINSA-N 201.226 -0.628 50 20 BBGD CC(C)C(=O)NNC(=O)N[C@H](C)C[S@@](C)=O 784528822 BMVJEDDVWACTJK-VGDKGRGNSA-N 249.336 -0.260 50 20 BBGD CCOCC(=O)NNC(=O)NC[C@@H](CC)OC 812592386 PNRMGHCZCWRBIX-MRVPVSSYSA-N 247.295 -0.222 50 20 BBGD Cn1ncc(C=NNC(=O)c2ccncc2)n1 814682252 JPGHPYMQBPNKSI-UHFFFAOYSA-N 230.231 -0.026 50 20 BBGD Cn1ccc(C=NNC(=O)N2CCOCC2)n1 814819972 ONNMXWBNXCHVBO-UHFFFAOYSA-N 237.263 -0.204 50 20 BBGD N#CSCCCNC(=O)C1(NC(N)=O)CC1 819698659 KIDIZHYBFSTAHG-UHFFFAOYSA-N 242.304 -0.092 50 20 BBGD CCN(CCO)NC(=O)[C@H](C)Cc1cnc[nH]1 823889378 UJMZWRFVLQXIJP-SECBINFHSA-N 240.307 -0.066 50 20 BBGD C[C@H](CO)N(C)NC(=O)C1CC(=O)C1 823939000 DRNVZRRWQSOOAX-ZCFIWIBFSA-N 200.238 -0.691 50 20 BBGD C=C[C@H](O)C(=O)NNC(=S)NCCSC 831575411 JAUDOQMMXUPLLG-LURJTMIESA-N 249.361 -0.608 50 20 BBGD CNC(=S)N(C)NC(=O)C=NOC 854921241 NBVBFWHXMKLBGJ-UHFFFAOYSA-N 204.255 -0.914 50 20 BBGD CCC[C@@H](OCC)C(=O)NNC(=O)CN(C)C 863864903 BBFZSNJZNQPOQM-SECBINFHSA-N 245.323 -0.099 50 20 BBGD C[C@H](C(=O)NN(C)C[C@@H](C)O)c1cnn(C)c1 910162106 DEUHIOQTZDBKJA-BDAKNGLRSA-N 240.307 -0.133 50 20 BBGD CC(=O)NCC(=O)NNc1ncccn1 1248586694 QSZIFRPKQQFEKA-UHFFFAOYSA-N 209.209 -0.944 50 20 BBGD Cn1ccc(NNC(=O)[C@H]2CC[C@@H]2C(N)=O)n1 1328987699 HUPOQAAKGPGTGK-BQBZGAKWSA-N 237.263 -0.625 50 20 BBGD Cn1nncc1NNC(=O)c1cnsn1 1330422465 CPKBLQGKXIUBCB-UHFFFAOYSA-N 225.237 -0.577 50 20 BBGD N#Cc1ncn(CC(=O)NNc2ncccn2)n1 1340639713 YTGWCCKOHMFSEE-UHFFFAOYSA-N 244.218 -0.917 50 20 BBGD CCC(=NNC(=O)C(=O)O)c1cn[nH]c1 1594694416 WHJUEKCUIPKJMB-UHFFFAOYSA-N 210.193 -0.275 50 20 BBGD O=C(CO)NNC(=O)[C@H]1CCC[C@@H](C(=O)O)C1 1608342525 DASDXRGDALNCNT-NKWVEPMBSA-N 244.247 -0.983 50 20 BBGD N#Cc1ccc(C=NNC(=O)NCC(=O)O)o1 1610627303 DEGTXWRLRSIDRY-UHFFFAOYSA-N 236.187 -0.131 50 20 BBGD NC(=O)CCNS(=O)(=O)CCCCl 36881849 JOGWIFVLIHHNJO-UHFFFAOYSA-N 228.701 -0.590 50 20 BBGD CO[C@H](C)C(=O)NNC(=O)c1cccn1C 79308473 GRXCHQJKRUSZCL-SSDOTTSWSA-N 225.248 -0.179 50 20 BBGD C=CCNC(=S)NNC(=O)[C@@H]1CCCN1C 281304742 ROVAJPUJCOAONH-QMMMGPOBSA-N 242.348 -0.238 50 20 BBGD COC(=O)N(C)NC(=O)CNC(=O)C(C)(C)C 495760892 INKXVNXXMSWJAB-UHFFFAOYSA-N 245.279 -0.122 50 20 BBGD CC[C@@H]1C[C@H]1NC(=O)c1cccc(B(O)O)c1 584985083 GOFDKMLQATXJFB-LDYMZIIASA-N 233.076 -0.105 50 20 BBGD OB(O)c1ccccc1CN[C@H]1CCCC[C@@H]1O 585036547 IKIGTDVVGFRYLK-STQMWFEESA-N 249.119 -0.241 50 20 BBGD OCCCCNCc1ccc(B(O)O)cc1F 585038561 HYMIZKTZTKERJA-UHFFFAOYSA-N 241.071 -0.632 50 20 BBGD O=C(NNC(=O)C1(O)CCSCC1)C1CC1 764588039 FOLODINJZSGAQV-UHFFFAOYSA-N 244.316 -0.198 50 20 BBGD C[C@H]1C[C@H]1C(=O)NNC(=O)C(C)(C)O 787946472 CKQYSIXQUIMHSH-NTSWFWBYSA-N 200.238 -0.439 50 20 BBGD COC(=O)N(C)NC(=O)[C@H](C)N(C)C 804124369 STASMKNKAAECMZ-LURJTMIESA-N 203.242 -0.334 50 20 BBGD C[C@H](CO)N(C)NC(=O)COC[C@H]1CCCO1 823959977 TVZBQEHFBBHAIE-NXEZZACHSA-N 246.307 -0.474 50 20 BBGD O=C1NCC[C@@H]1C(=O)NNc1ccccn1 831750251 WMFXJJOWBOXIHB-ZETCQYMHSA-N 220.232 -0.339 50 20 BBGD C[C@@H]1OCCC1=NNC(=O)NCC(=O)O 833635128 RTRNBZCWQIHMDC-YFKPBYRVSA-N 215.209 -0.465 50 20 BBGD O=C(O)[C@H]1CCCN1Cc1ccccc1B(O)O 901453431 LZTVFMINLKVVRF-LLVKDONJSA-N 249.075 -0.585 50 20 BBGD COC(=O)CC(=O)NNc1ncccn1 905898561 UJENJXCHDHTXHC-UHFFFAOYSA-N 210.193 -0.517 50 20 BBGD CCNC(=O)NNC(=O)[C@@H]1[C@H]2CCC(=O)[C@@H]21 906417380 LJCRKDZIQYEOQX-UIISKDMLSA-N 225.248 -0.438 50 20 BBGD C[C@H](O)CN(C)NC(=O)Cn1ccccc1=O 910179191 TXAURBSEVZYVBA-VIFPVBQESA-N 239.275 -0.808 50 20 BBGD CNC(=O)NNC(=O)COc1cc(C)on1 919879224 OCBBJZBBNPWPLW-UHFFFAOYSA-N 228.208 -0.678 50 20 BBGD O=C(NNC1=NCC(O)=C1)C1CCOCC1 1119361974 TXWUFAVIGSGKKK-UHFFFAOYSA-N 225.248 -0.112 50 20 BBGD CO[C@@H](C)CC(=O)N1CC[C@H](B(O)O)C1 1261844523 QYFYKAPHZVLFLE-YUMQZZPRSA-N 215.058 -0.513 50 20 BBGD Cc1cc(CC(=O)NNC(=O)C(F)F)n[nH]1 1261878163 FIBOVNDVBPUZOA-UHFFFAOYSA-N 232.190 -0.327 50 20 BBGD CN(C)C(=O)NNC(=O)C1=CCOCC1 1321202996 SIROSSJDRJHYCO-UHFFFAOYSA-N 213.237 -0.365 50 20 BBGD O=C(CC1CC1)NNC(=O)C1(O)CCOCC1 1324616778 MJMPCDRIPCIJEW-UHFFFAOYSA-N 242.275 -0.525 50 20 BBGD CNC(=O)NNC(=O)c1cn2c(n1)CCCC2 1334682382 MCIZLTUTTAZTMN-UHFFFAOYSA-N 237.263 -0.207 50 20 BBGD C[C@@H](O)CN(C)NC(=O)[C@H](C)Cc1cnc[nH]1 1334998376 QQAHLYYJCVMHBF-RKDXNWHRSA-N 240.307 -0.068 50 20 BBGD CCCCC(=O)NNC(=O)CN(C)C 75653190 YMCZTLUBXQDLLK-UHFFFAOYSA-N 201.270 -0.114 50 20 BBGD COC(=O)C[C@@H](C)C(=O)NN(C)C(=O)OC 286476102 UXNWJDALXVRGMV-ZCFIWIBFSA-N 232.236 -0.085 50 20 BBGD COC(=O)N(C)NC(=O)C(=O)c1cccn1C 495892573 MZYTVKFKNLJOTL-UHFFFAOYSA-N 239.231 -0.063 50 20 BBGD COC(=O)N(C)NC(=O)[C@@H]1CC[C@@H]1C(N)=O 496233250 BMNPRAQXZRWSSV-NTSWFWBYSA-N 229.236 -0.773 50 20 BBGD Cc1cc(CNCc2ccc(B(O)O)o2)ncn1 585031450 FVTQOWJOMQGCGV-UHFFFAOYSA-N 247.063 -0.652 50 20 BBGD N#CC1(CNCc2ccc(B(O)O)cc2F)CC1 585038775 GRPQFXHACYULMI-UHFFFAOYSA-N 248.066 -0.101 50 20 BBGD CO[C@@H](C(=O)NCB(O)O)C1CCCCC1 585062094 AYRLMUNNJKIELG-SECBINFHSA-N 229.085 -0.290 50 20 BBGD CCN1CC[C@H](NS(=O)(=O)CCl)C1=O 708626253 KIWLZAHILQFOJX-LURJTMIESA-N 240.712 -0.277 50 20 BBGD CC(C)CO[C@H](C)C(=O)NNC(=O)CN(C)C 733359696 NQMBXWDAHYIUDZ-SECBINFHSA-N 245.323 -0.244 50 20 BBGD Cc1ccc(C(=O)NNC(=O)CO)nc1 753452270 NLEVQJOTYSIISM-UHFFFAOYSA-N 209.205 -0.857 50 20 BBGD CCNC(=O)NNC(=O)[C@@]1(O)CCSC1 765683729 KMRJMQVDURCWQA-MRVPVSSYSA-N 233.293 -0.795 50 20 BBGD CON(C)CC(=O)NNC(=O)C1CC1 768695776 MGJHMQMZCWOMNK-UHFFFAOYSA-N 201.226 -0.963 50 20 BBGD COc1ccc(C(=O)NN(C)C(N)=O)cn1 778412652 VFWOYETVYJCMJM-UHFFFAOYSA-N 224.220 -0.255 50 20 BBGD CN1CC[C@H](C(=O)NNC(=O)CC2CC2)C1 819114489 JPVSDGVDTZRQNT-VIFPVBQESA-N 225.292 -0.114 50 20 BBGD CN1CCO[C@H](C(=O)NN(C)C2CC2)C1 819648410 DAHIGXVQQLKQKE-VIFPVBQESA-N 213.281 -0.558 50 20 BBGD CCN(CCO)NC(=O)COC(F)F 823884979 QTHMLRUOUYXYOA-UHFFFAOYSA-N 212.196 -0.429 50 20 BBGD C[C@@H](CO)N(C)NC(=O)CN1CCSC1=O 823983252 OIQLGWAOWGTIFD-ZETCQYMHSA-N 247.320 -0.501 50 20 BBGD O=C(NNC(=O)[C@@H](O)C1CC1)c1ccc[nH]1 854278911 HWWLSSVWPVTIHQ-QMMMGPOBSA-N 223.232 -0.453 50 20 BBGD O=C(NNC(=O)[C@@H]1CCCNC1=O)NC1CC1 865015358 ZVVDQJTYLIXFKW-SSDOTTSWSA-N 240.263 -0.995 50 20 BBGD CC1(C)[C@H](C(=O)O)[C@H]1C(=O)NNC(=O)C1CC1 872831847 VUIZQOMVSFGEFE-BQBZGAKWSA-N 240.259 -0.099 50 20 BBGD O=C(CO)NNC(=O)c1c[nH]cc1C1CC1 879395467 LIPPFCLSDUESKI-UHFFFAOYSA-N 223.232 -0.355 50 20 BBGD CC(C)(O)C(=O)NNC(=O)[C@H]1[C@H]2C(=O)CC[C@H]21 907627522 RLOOKJOANKLUMJ-LPBLVHEISA-N 240.259 -0.870 50 20 BBGD CC(C)C[C@H](C(N)=O)C(=O)NN(C)C[C@H](C)O 910147865 VTQLBLZNKBHACY-DTWKUNHWSA-N 245.323 -0.522 50 20 BBGD CC(C)NC(=S)NNC(=O)Cn1cncn1 1317923823 DLOASGYPEXKMGZ-UHFFFAOYSA-N 242.308 -0.818 50 20 BBGD CC(=O)NNC(=O)c1cnn2ccncc12 1343525660 HECZRZCWRGNSPZ-UHFFFAOYSA-N 219.204 -0.490 50 20 BBGD CC(=O)NNC(=O)[C@@H]1CCCc2nn[nH]c21 1347284341 XFOLRQXYTNLACG-ZCFIWIBFSA-N 223.236 -0.608 50 20 BBGD COCC[C@@H](N)C(=O)NNc1ncncc1F 1578998385 VJOHSURRQHLKKJ-SSDOTTSWSA-N 243.242 -0.577 50 20 BBGD NC[C@@H]1C[C@@H]1C(=O)NNC(=O)NC1CCCC1 1580323981 WUHFSQSXDPQODJ-CBAPKCEASA-N 240.307 -0.146 50 20 BBGD CNC(=O)NNC(=O)CNC(=O)CC(C)(C)C 48949184 CVYQMOOYLILBDB-UHFFFAOYSA-N 244.295 -0.501 50 20 BBGD OB(O)c1ccc2c3c(ccnc13)CCO2 200782303 DWAREJYMJKAABQ-UHFFFAOYSA-N 215.017 -0.151 50 20 BBGD COC(=O)[C@H]1CC[C@@H]1C(=O)NNC(=O)C1CC1 285303148 YGZDFZUBIPMBOD-YUMQZZPRSA-N 240.259 -0.257 50 20 BBGD CN(NC(=O)[C@@](C)(O)C1CC1)C(N)=O 288511292 SRQQSKXBZGUYSB-QMMMGPOBSA-N 201.226 -0.811 50 20 BBGD C[C@@H](CF)NC(=O)c1cc(B(O)O)ccc1F 584990456 WOIGLWODHHAATE-LURJTMIESA-N 243.018 -0.407 50 20 BBGD OB(O)c1ccc(CNCCC2(O)CCC2)cc1 585042209 LGXPMAIBVHSKOJ-UHFFFAOYSA-N 249.119 -0.239 50 20 BBGD C[C@H]1C[C@H](NCc2ccc(B(O)O)o2)CS1 585045538 CIIRPHFKIWEDJZ-YUMQZZPRSA-N 241.121 -0.057 50 20 BBGD CC[C@H]1COC[C@H]1NCc1ccccc1B(O)O 585047159 JAKFHICHRCFEQP-GXFFZTMASA-N 249.119 -0.119 50 20 BBGD CC(C)(C)C(=O)NNC(=O)[C@@H]1C[C@H]1C(=O)O 736241217 IDHUMILUIXMDLU-PHDIDXHHSA-N 228.248 -0.099 50 20 BBGD CCN1CCO[C@H](C(=O)NNC(=O)C(C)C)C1 746095781 BVUFUHXACMNAAW-VIFPVBQESA-N 243.307 -0.490 50 20 BBGD CC1(C(=O)NNc2ccc(C(N)=O)nn2)CC1 761587463 ZHFZNGPZFNLSEY-UHFFFAOYSA-N 235.247 -0.181 50 20 BBGD CN1CCN(CC(=O)NN=c2cc[nH]cc2)CC1 780762127 ZFRAJHSCUIBUJQ-UHFFFAOYSA-N 249.318 -0.806 50 20 BBGD CNC(=O)NNC(=O)C1(COC)CCC1 785951433 WHBCAQXNAXKMMN-UHFFFAOYSA-N 215.253 -0.237 50 20 BBGD CNC(=O)NNC(=O)c1ccc(C(=O)O)cc1 820637170 DXWMKLKNSXJHMQ-UHFFFAOYSA-N 237.215 -0.041 50 20 BBGD C[C@H]1CC(=NNC(=O)[C@@H]2CCC(=O)N2)CN1C 863148990 OESPYWZCRUMXIK-CBAPKCEASA-N 238.291 -0.539 50 20 BBGD CN(NC(=O)CN(C)C1CCC1)C(N)=O 863901772 UJJFEDLSCNRSQM-UHFFFAOYSA-N 214.269 -0.488 50 20 BBGD COCCOCC(=O)NNC(=O)/C=C\SC 869909647 DWFZHSSCXRKMBS-UTCJRWHESA-N 248.304 -0.327 50 20 BBGD C[C@@H](O)CN(C)NC(=O)[C@]1(C)CCOC1 910151707 IRPGLSJONLBAMY-PSASIEDQSA-N 216.281 -0.243 50 20 BBGD CC[C@@](C)(O)C(=O)NNC(=O)NCC1CC1 930735358 XITVDQLHYIZSEE-SNVBAGLBSA-N 229.280 -0.112 50 20 BBGD CC[C@@](C)(O)C(=O)NN(C)C(=O)OC 935909318 WRGKECFMXMQUAV-MRVPVSSYSA-N 204.226 -0.123 50 20 BBGD CNC(=O)NNC(=O)[C@H](OC)c1cnn(C)c1 1116900567 ORIVJLKJQUYPRX-SSDOTTSWSA-N 241.251 -0.932 50 20 BBGD Cn1nncc1NNC(=O)CC(C)(C)O 1118770575 QWLKNPNNEOZLSD-UHFFFAOYSA-N 213.241 -0.581 50 20 BBGD C[C@@H](CO)N(C)NC(=O)CCc1cnccn1 1119047623 LJTDVRHHSRKYEU-VIFPVBQESA-N 238.291 -0.247 50 20 BBGD CCC(=NNC(=O)C(N)=O)c1nccn1C 1319489472 IUPXLRIJAQXPBE-UHFFFAOYSA-N 223.236 -0.864 50 20 BBGD C=CCNC(=S)NNC(=O)C(=O)NC(C)C 1321561540 KESFHZLXIIYLMZ-UHFFFAOYSA-N 244.320 -0.808 50 20 BBGD COc1cc(C(C)=NNC(=O)CCO)on1 1326240219 OUHJVSNQQIYXSG-UHFFFAOYSA-N 227.220 -0.094 50 20 BBGD C[C@@H](O)CN(C)NC(=O)CCn1ccnn1 1339538586 CUJUCSKZZRUFBO-MRVPVSSYSA-N 227.268 -0.988 50 20 BBGD C=C(CCC(=O)O)C(=O)NNC(=O)NC 1588630679 XBAYHKNWYOACOQ-UHFFFAOYSA-N 215.209 -0.632 50 20 BBGD CCc1nc(CC(=O)NNC(=O)CO)cs1 180957239 BFMLNRCBPBQBKB-UHFFFAOYSA-N 243.288 -0.612 50 20 BBGD N#Cc1cccc(C(=O)NNC(=O)CO)c1 180961217 VWITTWMPBYTVRC-UHFFFAOYSA-N 219.200 -0.688 50 20 BBGD O=C(NNc1nnc[nH]1)[C@H]1CCCN1C1CC1 294041373 WHZPOVSYWJFSNS-MRVPVSSYSA-N 236.279 -0.125 50 20 BBGD O=S(=O)(CCl)NCCN1CC=CC1 392228958 QQQIMPKPMLEJTM-UHFFFAOYSA-N 224.713 -0.026 50 20 BBGD C[C@](O)(C(=O)Nc1cccc(B(O)O)c1)C1CC1 584912159 CPHMSKRSLPNQSH-GFCCVEGCSA-N 249.075 -0.534 50 20 BBGD OB(O)c1ccc(CN[C@H]2CCCSC2)o1 585042316 ADYRTQXZDHITNJ-QMMMGPOBSA-N 241.121 -0.055 50 20 BBGD O=C(NCB(O)O)C1[C@H]2[C@H]3CC[C@@H](C3)[C@H]12 585059786 BFZIUIUEQXRHQY-XAMCCFCMSA-N 209.054 -0.593 50 20 BBGD C[C@H](COc1ccccc1)C(=O)NCB(O)O 585063140 ZLPICMGLLMAQCI-SECBINFHSA-N 237.064 -0.170 50 20 BBGD CNC(=O)NNC(=O)COc1cccnc1 732061704 LOIUVKQHWLUWNF-UHFFFAOYSA-N 224.220 -0.579 50 20 BBGD O=C(CO)NNC(=O)c1ccc2cc[nH]c2n1 753451168 BIRFPRGFWWFAQB-UHFFFAOYSA-N 234.215 -0.684 50 20 BBGD CC(C)CC(=O)NNC(=O)C(C)(C)O 787946021 NTMSHLPREARHJJ-UHFFFAOYSA-N 202.254 -0.049 50 20 BBGD COc1cncc(S(=O)(=O)NNC(C)=O)c1 799120554 PGEXZJYYZZHOMQ-UHFFFAOYSA-N 245.260 -0.580 50 20 BBGD C[C@](O)(C(=O)NNC(=O)C1CC1)C1CC1 804147397 BTPJVYSFANRVFR-SNVBAGLBSA-N 212.249 -0.295 50 20 BBGD CN(NC(=O)CCn1ccnn1)C1CC1 819645172 ACMGLDQWJMGFKI-UHFFFAOYSA-N 209.253 -0.206 50 20 BBGD CCn1cc(C(=O)NN(C)C[C@H](C)O)nn1 822563576 MUUDMKBGPNVZJH-ZETCQYMHSA-N 227.268 -0.745 50 20 BBGD O=C(NNC(=O)[C@@H]1CCSC1)c1ncon1 832825773 HALAVKGDTJRVJK-RXMQYKEDSA-N 242.260 -0.416 50 20 BBGD COC[C@H](OC)C(=O)NNC(=O)C1CC1 854181248 XMBOQKNQFZOJOX-ZETCQYMHSA-N 216.237 -0.795 50 20 BBGD C[C@@H](O)C(=O)NNC(=O)CC(F)(F)F 855000062 AFMGPQWJBCXJJD-GSVOUGTGSA-N 214.143 -0.533 50 20 BBGD O=C(NNc1ccc(F)cn1)[C@@]1(O)CCOC1 874647542 XDBRZZBWMNIVBZ-SNVBAGLBSA-N 241.222 -0.185 50 20 BBGD C#CCCCC(=O)NNC(=O)[C@H](C)n1cncn1 887140736 QDULQXWXLFVEDP-VIFPVBQESA-N 249.274 -0.210 50 20 BBGD COC(=O)NNC(=O)/C=C1\SCC(=O)N1C 895509831 BAKMEULOCIWPBQ-CLTKARDFSA-N 245.260 -0.580 50 20 BBGD C[C@H](CO)N(C)NC(=O)[C@@H]1[C@H]2CCC(=O)[C@H]21 911445447 VLOZVRKVTWKNPZ-GOZTYBTRSA-N 226.276 -0.445 50 20 BBGD C=CCNC(=S)NNC(=O)c1cnc[nH]1 1116910043 UAUOAYMITCGMOQ-UHFFFAOYSA-N 225.277 -0.295 50 20 BBGD Cn1cc(C(=O)NNc2nc[nH]n2)cn1 1117760308 URKABAMDEQUYST-UHFFFAOYSA-N 207.197 -0.705 50 20 BBGD Cn1cnc(C(=O)NNC(=O)c2ccncc2)n1 1324024103 NXNACLHXTLBZTR-UHFFFAOYSA-N 246.230 -0.715 50 20 BBGD CON=CC(=O)NNC(=O)C1CCOCC1 1333150236 WBYGLYNNIRKION-UHFFFAOYSA-N 229.236 -0.807 50 20 BBGD CO[C@]1(C=NNC(=O)c2ncon2)CCOC1 1336039030 FFWNGPNXLSNJBT-VIFPVBQESA-N 240.219 -0.409 50 20 BBGD CN(NC(=O)c1cc(C2CC2)nn1C)C(N)=O 1336496168 KLOVNHLTJIGISA-UHFFFAOYSA-N 237.263 -0.047 50 20 BBGD C[C@H]1C[C@@H](C(=O)NN(C)C(N)=O)CCO1 1337548734 FPKBVENDGVDRDE-BQBZGAKWSA-N 215.253 -0.157 50 20 BBGD CCCCNC(=O)NNC(=O)c1cnnn1C 1344531765 GNUIBLJJZSVAEL-UHFFFAOYSA-N 240.267 -0.441 50 20 BBGD CNC(=S)N(C)NC(=O)C[C@@H]1CCOC1 1351032093 ANTPPNJKZIUNBT-ZETCQYMHSA-N 231.321 -0.120 50 20 BBGD COC(=O)N(C)NC(=O)[C@@H](C(=O)O)C1CC1 1593856060 VNEWOKHXZFBWES-LURJTMIESA-N 230.220 -0.173 50 20 BBGD CCN(CC(=O)NNC(=O)OC)C1CC1 158830951 PCXHTIHLWVTSKV-UHFFFAOYSA-N 215.253 -0.142 50 20 BBGD O=C(CO)NNC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2 246052603 ARNDUSOZYPFPFZ-CIUDSAMLSA-N 226.276 -0.048 50 20 BBGD Cc1cc(C(=O)NNC(=O)COC(C)C)[nH]n1 268793379 AVBVJROERYLYPA-UHFFFAOYSA-N 240.263 -0.096 50 20 BBGD O=C(C[C@H]1CCOC1)Nc1cccc(B(O)O)c1 405003852 PRMMYOWRVHAEAZ-SECBINFHSA-N 249.075 -0.269 50 20 BBGD O=C(CCl)N1C[C@@H](O)[C@H](n2cccn2)C1 409434800 QQQOPRJMRLPILR-HTQZYQBOSA-N 229.667 -0.134 50 20 BBGD C[C@H](C#N)CNCc1ccc(B(O)O)o1 585033756 BIBVPCHRWYOODS-SSDOTTSWSA-N 208.026 -0.791 50 20 BBGD CC(C)(O)c1nc(-c2cccc(B(O)O)c2)no1 585051509 APYKHEGGOBPBPI-UHFFFAOYSA-N 248.047 -0.356 50 20 BBGD Cc1cncc(N2CC[C@@H](B(O)O)C2)n1 585079372 ZIMJNYSMDBQXHH-MRVPVSSYSA-N 207.042 -0.162 50 20 BBGD CCNC(=O)CCCC(=O)NNC(=O)C1CC1 729283943 YKPDHFMMDFPQTJ-UHFFFAOYSA-N 241.291 -0.150 50 20 BBGD CCCCNC(=O)NNC(=O)[C@](C)(O)COC 754990044 UTGAWJGQUPLBDG-SNVBAGLBSA-N 247.295 -0.486 50 20 BBGD CCC(=O)NNC(=O)Nc1cccn(C)c1=O 756682610 JIEUHMOSKFJSCM-UHFFFAOYSA-N 238.247 -0.052 50 20 BBGD C[C@H]1CCCN(C(=O)C(=O)NN(C)C(N)=O)C1 768156817 KZQPUUULQCSLND-ZETCQYMHSA-N 242.279 -0.713 50 20 BBGD COCc1ccc(C=NNC(=O)CO)o1 776781239 ZWXXCAXAQMJENN-UHFFFAOYSA-N 212.205 -0.132 50 20 BBGD CCCCNC(=O)NNC(=O)CC(=O)NCC 780908626 UMKZRNMFROJGNE-UHFFFAOYSA-N 244.295 -0.357 50 20 BBGD O=C(CO)NNC(=O)[C@H]1CC(=O)c2ccccc21 789904825 BPTXVQSALYGAPJ-VIFPVBQESA-N 248.238 -0.504 50 20 BBGD COC(=O)N(C)NC(=O)[C@@H]1CCN(C)C1=O 804125311 BQWIAGIVQIARCE-LURJTMIESA-N 229.236 -0.806 50 20 BBGD O=C(CO)NN=C1COc2ccccc21 814896060 GTMUOLBAWVIIHX-UHFFFAOYSA-N 206.201 -0.108 50 20 BBGD COCCOCCC(=O)NNC(=O)CC1CC1 819140948 SBTZQORFCQJSKT-UHFFFAOYSA-N 244.291 -0.013 50 20 BBGD C[C@H](NC(=O)CC(C)(C)C)C(=O)NN 825645341 XJWJJQYHRNTFEH-LURJTMIESA-N 201.270 -0.083 50 20 BBGD C#CCNC(=S)NNC(=O)[C@H]1CCO[C@H]1C 843277814 UHLUXKUVIYSBFM-YUMQZZPRSA-N 241.316 -0.460 50 20 BBGD CCNC(=O)NN=Cc1c(C(=O)O)cnn1C 848403448 UGOSXEFOHKIKPX-UHFFFAOYSA-N 239.235 -0.229 50 20 BBGD C=CCCNC(=O)NNC(=O)c1cnn(C)c1 852486600 ACCHJUNIHLVHAJ-UHFFFAOYSA-N 237.263 -0.060 50 20 BBGD CCO[C@H]1C[C@@H]1C(=O)NNC(=O)c1cc[nH]n1 855359066 DQUWSTGUPUPEMU-XPUUQOCRSA-N 238.247 -0.404 50 20 BBGD CCNC(=O)NNC(=O)Cn1nccc1C 858782123 LWJGQQXDTJKROO-UHFFFAOYSA-N 225.252 -0.458 50 20 BBGD CC[C@H](C#N)C(=O)NNC(=O)c1cn[nH]c1 862469670 RTTGQVCEUWMPPB-ZCFIWIBFSA-N 221.220 -0.280 50 20 BBGD CC[C@H](O)[C@H](C)C(=O)NN(C)C(N)=O 901279513 RUXHEGOPLPDHPP-WDSKDSINSA-N 203.242 -0.565 50 20 BBGD C[C@@H](O)CN(C)NC(=O)[C@H]1CCC(=O)C1 910145957 GYJFTNGLPZQNSI-SFYZADRCSA-N 214.265 -0.301 50 20 BBGD COCCC(=O)NNC(=S)NC(C)C 1115960577 WREPKJPMQRGLOC-UHFFFAOYSA-N 219.310 -0.073 50 20 BBGD NC(=O)NC1(C(=O)NNc2ccccn2)CC1 1254244472 AKHDPVBBHJUDEL-UHFFFAOYSA-N 235.247 -0.274 50 20 BBGD NC(=O)NC1(C(=O)NNc2cccnn2)CC1 1323760297 LNRPUCNPESDLOS-UHFFFAOYSA-N 236.235 -0.879 50 20 BBGD CNC(=O)NNC(=O)CCc1cc(OC)no1 1327814578 NZGNNKRNFRJEHG-UHFFFAOYSA-N 242.235 -0.424 50 20 BBGD CC(C)[C@@H](O)C(=O)NNC(=O)[C@H]1CCCCO1 1328064679 NEVIQBKCIDWNDW-RKDXNWHRSA-N 244.291 -0.280 50 20 BBGD COC(=O)N(C)NC(=O)NC[C@H]1CCOC1 1347189163 NTTTZJGSRMMDDK-SSDOTTSWSA-N 231.252 -0.065 50 20 BBGD CN(C)C(=O)NNC(=O)c1cn(C2CC2)nn1 1348135644 YRKDTKWMYOSVAT-UHFFFAOYSA-N 238.251 -0.471 50 20 BBGD C[C@H](O)CN(C)NC(=O)[C@H]1CCCN1 1574074424 UDSWUCBAISFUGW-JGVFFNPUSA-N 201.270 -0.918 50 20 BBGD CC[C@H](C(=O)O)C(=O)NNC(=O)[C@H]1CCCO1 1609886349 JGUWJIBEMHVLMS-NKWVEPMBSA-N 244.247 -0.576 50 20 BBGD N#CCSCC(=O)NNC(=O)NC1CC1 49150562 ZLECLMSZPQVOHP-UHFFFAOYSA-N 228.277 -0.264 50 20 BBGD CCNC(=O)NC(=O)CN1CC=C(C#N)CC1 272564938 CHJLEHXFZNEDPN-UHFFFAOYSA-N 236.275 -0.012 50 20 BBGD CC(C)[C@H](O)C(=O)NNC(=O)c1cnn(C)c1 291888767 IVUATAIVHBQNLV-QMMMGPOBSA-N 240.263 -0.802 50 20 BBGD CO[C@H]1CN(C(=O)CCCl)C[C@@H]1O 409430742 IXSNECFDGFZWOM-BQBZGAKWSA-N 207.657 -0.167 50 20 BBGD COC(=O)NNC(=O)[C@]1(C)CCOC1 495366991 LRRZQIJAILMOOL-MRVPVSSYSA-N 202.210 -0.200 50 20 BBGD C[C@@H](CO)CNCc1ccc(B(O)O)cc1F 585018162 HSTAYOSTHQHTBV-MRVPVSSYSA-N 241.071 -0.777 50 20 BBGD O=C(NCB(O)O)c1ccccc1-n1ccnn1 585063425 YXUVDAKUCWFYRY-UHFFFAOYSA-N 246.035 -0.991 50 20 BBGD CNNC(=O)CCc1c(C)nc(C)nc1O 704668118 MHTNPBOCLHHJTO-UHFFFAOYSA-N 224.264 -0.018 50 20 BBGD CCOCC(=O)NNC(=O)NC[C@@H](C)COC 737065645 WEDFRHYFEXCQPQ-MRVPVSSYSA-N 247.295 -0.364 50 20 BBGD CC(=O)NNC(=O)c1ccc2nnc(C)n2c1 749715617 OJAQQEPDCSOYNK-UHFFFAOYSA-N 233.231 -0.181 50 20 BBGD CN(C)C(=O)NNC(=O)c1cccnc1O 751386934 LBUOJXXHCFXYAB-UHFFFAOYSA-N 224.220 -0.297 50 20 BBGD CC[C@H]1CC[C@H](C(=O)NNC(=O)C(C)(C)O)O1 768247127 LMLSVEPFGFJOJY-JGVFFNPUSA-N 244.291 -0.138 50 20 BBGD CNC(=O)NNC(=O)Cn1ccc(C)cc1=O 772147097 ZBNOHGJJSFEHTB-UHFFFAOYSA-N 238.247 -0.883 50 20 BBGD COC(C)(C)CC(=O)NNC(=O)C(C)(C)O 787571840 SSVJWYUKSRRTOP-UHFFFAOYSA-N 232.280 -0.280 50 20 BBGD CCNC(=O)N(C)NC(=O)[C@H]1CCN[C@H]1C 831944557 BXPBMBGHSVOWSB-YUMQZZPRSA-N 228.296 -0.323 50 20 BBGD CC[C@@](C)(OC)C(=O)NNC(=O)c1cc[nH]n1 855356793 RVRCYXYZWKBUPR-SNVBAGLBSA-N 240.263 -0.014 50 20 BBGD CC/C(C)=C\C(=O)NNC(=O)CS(C)(=O)=O 863465732 JTMHNRGZDIQNIN-ALCCZGGFSA-N 248.304 -0.465 50 20 BBGD CO[C@H]1C[C@H](NCc2ccccc2B(O)O)C1 863892015 JYDRFBCGWKYMNV-XYPYZODXSA-N 235.092 -0.367 50 20 BBGD COCCCNC(=O)NNC(=O)[C@H](C)OC 920860708 ZOBWHHDWMSXUFW-ZETCQYMHSA-N 233.268 -0.612 50 20 BBGD CCO/C=C(/C#N)C(=O)N1CCOCN1 928950496 UDRBAAIULBTSPS-VURMDHGXSA-N 211.221 -0.249 50 20 BBGD COC(=O)C(=O)NN=C(C)c1cc(C)on1 1256239033 XUDXMDHBGAUBAB-UHFFFAOYSA-N 225.204 -0.004 50 20 BBGD CC(=O)NNC(=O)c1cnc([C@H](C)O)s1 1321827031 UNXRITIHLYSYAD-BYPYZUCNSA-N 229.261 -0.023 50 20 BBGD Cn1cnc(C(=O)NNC(=O)NCC2CC2)n1 1330109324 GDBWZYMZZVQPBE-UHFFFAOYSA-N 238.251 -0.831 50 20 BBGD Cn1ccnc(NNC(=O)CCCF)c1=O 1331388724 SUFBPCOWFOOJLK-UHFFFAOYSA-N 228.227 -0.027 50 20 BBGD CN(NC(=O)c1cnc2nccnc2c1)C(N)=O 1337856761 MULJKRAGPAXZFT-UHFFFAOYSA-N 246.230 -0.320 50 20 BBGD C[C@@H]1CNC[C@H]1CNCc1cccc(B(O)O)c1 1579460690 HQNZWYUTUPXMAH-PWSUYJOCSA-N 248.135 -0.689 50 20 BBGD O=C(NNC(=O)C(=O)O)N[C@@H]1C[C@H]2CC[C@H]1C2 1601553203 XQCPOXOPVYNHGC-LYFYHCNISA-N 241.247 -0.410 50 20 BBGD CC(C)NC(=O)NN[C@]1(C)CCS(=O)(=O)C1 42839408 VMMKFWMQPBYXFA-SECBINFHSA-N 249.336 -0.224 50 20 BBGD CCOC(=O)NNC(=O)[C@H]1CCCO1 48089663 LTOHMQQUDMGSLS-ZCFIWIBFSA-N 202.210 -0.057 50 20 BBGD CC(C)NC(=O)NNC(=O)c1cnn(C)c1 49468619 AGNXYRUMWAOTIP-UHFFFAOYSA-N 225.252 -0.228 50 20 BBGD CC[C@@H](C)[C@@H](CO)NCc1ccc(B(O)O)o1 585025370 RXNKGUZLCZXAKE-PSASIEDQSA-N 241.096 -0.544 50 20 BBGD COC[C@@H](C)NCc1cccc(B(O)O)c1 585032299 SIQDTUMOLPWMOQ-SECBINFHSA-N 223.081 -0.509 50 20 BBGD O=C(NCB(O)O)[C@@H]1[C@@H]2Cc3ccccc3[C@H]21 585062259 FCGUFVRSQVHDPZ-GMTAPVOTSA-N 231.060 -0.300 50 20 BBGD C[C@@H](Oc1ccc(C#N)cc1)C(=O)NCB(O)O 585063228 WRSLOJSOTJMRQF-MRVPVSSYSA-N 248.047 -0.546 50 20 BBGD O=C(CO)NNC(=O)c1c(F)ccc(O)c1F 809752766 WKEODRRNWSGZRB-UHFFFAOYSA-N 246.169 -0.576 50 20 BBGD Cc1cc(C)nc(NNC(=O)C[C@@H]2CC(=O)N2)n1 820523163 GBJDWYOKKBPTLP-QMMMGPOBSA-N 249.274 -0.185 50 20 BBGD COC[C@H](OC)C(=O)NNc1ncccn1 820935406 SSXKKIZATXYKEG-ZETCQYMHSA-N 226.236 -0.419 50 20 BBGD CCN(CCO)NC(=O)CN1CCCCC1=O 823846481 JWMDBMZIQSYHBE-UHFFFAOYSA-N 243.307 -0.656 50 20 BBGD CCN(CCO)NC(=O)[C@H](OC)C1CC1 823879237 JFGHZGNAWNJEFU-SECBINFHSA-N 216.281 -0.243 50 20 BBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1cnco1 843974346 CDVMGUKDBJPGCQ-BQBZGAKWSA-N 239.231 -0.139 50 20 BBGD CC(C)(CO)C(=O)NNC(=O)NC1CC1 847390655 IHKKTGJBLSGZJF-UHFFFAOYSA-N 215.253 -0.502 50 20 BBGD CN1C(=O)CC[C@H]1CC(=O)NNc1ccncn1 854748241 XXJBYULWNSBHMU-QMMMGPOBSA-N 249.274 -0.069 50 20 BBGD CC[C@H](OC)C(=O)NN(C)C(=S)NC 854926152 SYVPXSLYGCGIKM-LURJTMIESA-N 219.310 -0.121 50 20 BBGD C=C(CO)C(=O)NNC(=O)OCC(F)(F)F 856020422 GXUFVMNUEILRGY-UHFFFAOYSA-N 242.153 -0.145 50 20 BBGD COC(OC)C(=O)NNC(=O)c1ccc[nH]1 873833819 AKRZBPAADMIZNX-UHFFFAOYSA-N 227.220 -0.605 50 20 BBGD C[C@@H](O)CN(C)NC(=O)c1ccc(C=O)n1C 910149542 KRGIZEXXMRROSW-MRVPVSSYSA-N 239.275 -0.205 50 20 BBGD CN(NC(=O)c1cnn(C(F)F)c1)C(N)=O 1118996566 PHZVOJHUGMZBMC-UHFFFAOYSA-N 233.178 -0.067 50 20 BBGD Cc1nnccc1C(=O)NNC(=O)C(C)(C)O 1321193309 FJRSWQSZOUQTQQ-UHFFFAOYSA-N 238.247 -0.683 50 20 BBGD COc1ccnc(NNC(=O)c2ncn(C)n2)n1 1323923753 QFJJVIWPNJKVBQ-UHFFFAOYSA-N 249.234 -0.629 50 20 BBGD CN(NC(=O)c1ccnc2c1ncn2C)C(N)=O 1326065543 DKZBQDDQEDZDJA-UHFFFAOYSA-N 248.246 -0.376 50 20 BBGD CCc1nnc(C(=O)NNC(=O)NC)s1 1333089749 JQMXBKHLPNDULB-UHFFFAOYSA-N 229.265 -0.326 50 20 BBGD CNC(=O)NNC(=O)[C@@H]1CCc2ncncc2C1 1349443567 KXNVNXMVXDTTAJ-SSDOTTSWSA-N 249.274 -0.458 50 20 BBGD CC(C)NC(=O)NNC(=O)[C@H](C(=O)O)C1CC1 1588925294 ICPIIIVQNKGQTC-SSDOTTSWSA-N 243.263 -0.164 50 20 BBGD N#CCN(CCC(=O)O)S(=O)(=O)CCl 1601073073 ZWGUUTAGLBVNTF-UHFFFAOYSA-N 240.668 -0.187 50 20 BBGD CN1CCN(CCNC(=O)CCl)CC1 37498033 WMFZJGOTDRXSEM-UHFFFAOYSA-N 219.716 -0.411 50 20 BBGD CN(NC(=O)COc1ccccc1C#N)C(N)=O 181063202 KERLPMPEKNIYFQ-UHFFFAOYSA-N 248.242 -0.021 50 20 BBGD CNc1ccc(C(=O)NN(C)C(N)=O)cn1 309456280 MOJNAHNRIGYUBF-UHFFFAOYSA-N 223.236 -0.221 50 20 BBGD C[C@H](CF)NC(=O)c1ccc(B(O)O)c(F)c1 584990474 XAOYDOKQMFRLOR-ZCFIWIBFSA-N 243.018 -0.407 50 20 BBGD C[C@H](O)CCNCc1ccc(B(O)O)cc1F 585050108 RFTDFBXVTQPCFE-QMMMGPOBSA-N 241.071 -0.634 50 20 BBGD CC[C@H](OC)C(=O)N1CC[C@@H](B(O)O)C1 585074625 BQGBEHHIZIVZFQ-SFYZADRCSA-N 215.058 -0.513 50 20 BBGD CCN1CCO[C@H](C(=O)NNC(=O)C2CC2)C1 746093384 QADIUMRGJVUZLQ-VIFPVBQESA-N 241.291 -0.736 50 20 BBGD CN(C)CC(=O)NN=C1CCN2CCC[C@@H]12 765570871 CTFIHOUKILASHQ-JTQLQIEISA-N 224.308 -0.112 50 20 BBGD CNC(=O)NNC(=O)[C@@H](OC)C(C)C 771265510 JUYRBVREIUWCIW-LURJTMIESA-N 203.242 -0.382 50 20 BBGD CCOc1cnc(C(=O)NNC(C)=O)cn1 777769095 CBSRZHHFBHYEGO-UHFFFAOYSA-N 224.220 -0.344 50 20 BBGD O=C1CC(C(=O)NNc2cccnn2)C1 778506753 RHIPRAKEWREJGC-UHFFFAOYSA-N 206.205 -0.101 50 20 BBGD O=C(NN=C[C@H]1CCOC1)C(=O)NC1CC1 812451632 IZGFSEPOKVSFFA-SSDOTTSWSA-N 225.248 -0.597 50 20 BBGD COC(=O)CNC(=O)NN=Cc1nccs1 814901059 VUHMCHPYYFWHBB-UHFFFAOYSA-N 242.260 -0.051 50 20 BBGD CN(NC(=O)[C@]1(O)CCSC1)C1CC1 819650671 VCZWAHAZWSNFIN-VIFPVBQESA-N 216.306 -0.020 50 20 BBGD CC[C@H](NC(C)=O)C(=O)NN(C)[C@@H](C)CO 823907137 INSUWNGYXAGBNF-CBAPKCEASA-N 231.296 -0.755 50 20 BBGD C[C@H]1C[C@H](C(=O)NNC(=O)c2cn[nH]c2)CO1 862470778 JEZDUSSCRYIPHR-BQBZGAKWSA-N 238.247 -0.404 50 20 BBGD CNC(=O)NNC(=O)[C@]1(Cl)C[C@H]2CC[C@H]1O2 906393960 GLOGWJBUHHOWKO-KCRUCZTKSA-N 247.682 -0.125 50 20 BBGD CC[C@@](C)(O)C(=O)NNC(=O)C(C)(C)O 935562795 IERVTWNULUVETI-SECBINFHSA-N 218.253 -0.934 50 20 BBGD C#CCNC(=S)NNC(=O)c1ccncc1 1253694955 VLCWWZLAAAUEMJ-UHFFFAOYSA-N 234.284 -0.176 50 20 BBGD O=C(CCl)N1CCN(Cc2ncon2)CC1 1319674989 SVACYKLZILVGBI-UHFFFAOYSA-N 244.682 -0.047 50 20 BBGD CNC(=S)N(C)NC(=O)[C@H]1NCC1(C)C 1573896601 OIMPDMICWBUGKB-ZCFIWIBFSA-N 230.337 -0.548 50 20 BBGD CCNC(=O)NNC(=O)CC(C)(C)CN 1577793765 TYONCFAOFLQIDQ-UHFFFAOYSA-N 216.285 -0.288 50 20 BBGD CO[C@@H](CN)C(=O)NNc1ccccn1 1579111225 UVKASYBQXQHUBT-ZETCQYMHSA-N 210.237 -0.502 50 20 BBGD CCO/C=C(/C#N)C(=O)N[C@@H](COC)C(=O)O 1605618149 GUHCWSXNMOLNDN-TVSKSKRASA-N 242.231 -0.354 50 20 BBGD O=S(=O)(CCCCCl)NCCO 122918858 RMADGFXCOWHIRE-UHFFFAOYSA-N 215.702 -0.083 50 20 BBGD O=C(CO)NNC(=O)c1c(O)cccc1F 165803993 ZOLZUUKTFXQTSZ-UHFFFAOYSA-N 228.179 -0.715 50 20 BBGD COC(=O)N(C)NC(=O)COC[C@@H]1CCCO1 495762746 PEAPIFJIBPNZRF-QMMMGPOBSA-N 246.263 -0.089 50 20 BBGD CC(C)[C@@H](C(=O)O)C(=O)N1CC[C@@H](B(O)O)C1 585063656 DXIPXKURHRRUNB-HTQZYQBOSA-N 243.068 -0.582 50 20 BBGD CC(C)C(=O)NNC(=O)CCN1CCCC1=O 727722378 FWVYYSHAYWLVLI-UHFFFAOYSA-N 241.291 -0.198 50 20 BBGD C=CCOCC(=O)NNC(=O)NCC 729343945 KVPPBZWQSGEEFR-UHFFFAOYSA-N 201.226 -0.461 50 20 BBGD N#CCc1ccccc1CC(=O)NNC(=O)CO 753444344 KCKOKUZRLYHYFQ-UHFFFAOYSA-N 247.254 -0.565 50 20 BBGD CCOCC(=O)NNC(=O)Nc1cccnn1 757660741 JPBFWOCKBGEYLD-UHFFFAOYSA-N 239.235 -0.334 50 20 BBGD O=C(CO)NN=Cc1ccc([N+](=O)[O-])o1 776780760 MZRAEZXLGVPTAA-UHFFFAOYSA-N 213.149 -0.370 50 20 BBGD CCN(CCO)NC(=O)CC1OCCCO1 823879736 SCSRDJGJHVBSAN-UHFFFAOYSA-N 232.280 -0.515 50 20 BBGD COC/C=C\C(=O)NN(C)[C@@H](C)CO 823901922 IERYQJYDEGQTTM-LGYSABEFSA-N 202.254 -0.467 50 20 BBGD COCCN(C)NC(=O)c1cnn2ncccc12 837625701 VCXDWMUHVNCSRU-UHFFFAOYSA-N 249.274 -0.048 50 20 BBGD CC(=O)NCC(C)(C)C(=O)NNC(=O)N(C)C 845337597 YNILARAFBKGZEK-UHFFFAOYSA-N 244.295 -0.549 50 20 BBGD N#CSCCCNC(=O)C(=O)NC1CC1 854362394 MNJSUYSDGKDZBP-UHFFFAOYSA-N 227.289 -0.014 50 20 BBGD CC1=NO[C@@H](C(=O)NNC(=O)c2cn[nH]c2)C1 862469896 VNVAXODFIDKIPT-SSDOTTSWSA-N 237.219 -0.665 50 20 BBGD COC(=O)N(C)NC(=O)NCc1ccn(C)n1 875438530 ZFQNSGCSUODVHQ-UHFFFAOYSA-N 241.251 -0.168 50 20 BBGD CCn1nncc1C(=O)NN(C)C[C@H](C)O 910144890 OZWGBVQFGXZQKI-ZETCQYMHSA-N 227.268 -0.745 50 20 BBGD CCC(=O)N1CC[C@@H](C(=O)NNC(=O)NC)C1 1319427149 GAIBTCIWKOBYKS-SSDOTTSWSA-N 242.279 -0.795 50 20 BBGD O=C(NNC(=O)[C@H]1C[C@@H]1F)c1ncccn1 1349631837 DQZZVIUQPZUVHO-WDSKDSINSA-N 224.195 -0.404 50 20 BBGD O=C(O)CNC(=O)NN=C1CCOC1 1602071284 LXSVZTOZIIBJSE-UHFFFAOYSA-N 201.182 -0.854 50 20 BBGD C[C@](C#N)(CC(=O)O)C(=O)NNc1nc[nH]n1 1602782068 OZZPDUCZGDFYKA-MRVPVSSYSA-N 238.207 -0.748 50 20 BBGD COCC(C)(C)C(=O)NNC(=O)CN(C)C 131424219 VVJCWCSHZLMPPB-UHFFFAOYSA-N 231.296 -0.632 50 20 BBGD CN1C[C@@H](C(=O)NNC(=O)C2CCC2)CC1=O 264644546 ABYZMOKJXCENQD-QMMMGPOBSA-N 239.275 -0.588 50 20 BBGD CC(C)(C)C(=O)NNC(=O)c1nc[nH]n1 269424360 IWCMVQGXKCDXAW-UHFFFAOYSA-N 211.225 -0.388 50 20 BBGD C=C(CBr)CN1C[C@@H](O)[C@H](O)C1 279357861 QULZLIQKBIAJTG-HTQZYQBOSA-N 236.109 -0.025 50 20 BBGD OB(O)c1ccc(CN[C@@H]2CCn3ccnc32)o1 585043777 RCHVPAPIPLQNFQ-SECBINFHSA-N 247.063 -0.610 50 20 BBGD CNC(=O)NNC(=O)CNc1ccc(C#N)cc1 726939193 ORBPNZAZTGZMIK-UHFFFAOYSA-N 247.258 -0.070 50 20 BBGD O=C(NNC(=O)[C@@H]1C[C@@H]1C(=O)O)c1ccoc1 739454053 OGQWUQWVLZHSEX-RQJHMYQMSA-N 238.199 -0.239 50 20 BBGD CCOCC(=O)NNC(=O)NCC(C)(C)OC 745889781 MGUJFRCZOQCMJN-UHFFFAOYSA-N 247.295 -0.222 50 20 BBGD CCNC(=O)NNC(=O)CCn1ccnc1 751373168 ZKZBHTLTVMVFPZ-UHFFFAOYSA-N 225.252 -0.377 50 20 BBGD COC(=O)C1(C(=O)NNc2cccnn2)CC1 768445406 BGUZMSYCMSJXCH-UHFFFAOYSA-N 236.231 -0.127 50 20 BBGD CC(=O)CCC(=O)NNC(=O)c1c[nH]nc1C 800487025 YGKHIMVBOHBHLI-UHFFFAOYSA-N 238.247 -0.152 50 20 BBGD COCC(=O)NNC(=S)NC1CCC1 814200336 RYTNBNZIVXBBKE-UHFFFAOYSA-N 217.294 -0.319 50 20 BBGD NC(=O)C(=O)NN=C1CCCc2occc21 814695983 WIQONVFKTBJYTJ-UHFFFAOYSA-N 221.216 -0.079 50 20 BBGD C[C@@H](C(=O)NN(C)C1CC1)N1CCN(C)CC1 819647434 OVXKFHHKWQZKOU-JTQLQIEISA-N 240.351 -0.252 50 20 BBGD CCN(CCO)NC(=O)c1ccnn1CC 823873549 DCOJRFWZVHVWCR-UHFFFAOYSA-N 226.280 -0.138 50 20 BBGD CCN(CCO)NC(=O)c1cc2n(n1)CCC2 823889377 UIWSEMXMNUZHKA-UHFFFAOYSA-N 238.291 -0.212 50 20 BBGD COCc1cc(C(=O)NN(C)[C@@H](C)CO)no1 823952350 QBIYVHCKQSGAHN-ZETCQYMHSA-N 243.263 -0.222 50 20 BBGD Cc1c(C(=O)NN(C)[C@H](C)CO)cnn1C 823977021 MNDVEYPIJNFIMI-SSDOTTSWSA-N 226.280 -0.314 50 20 BBGD NC(=O)[C@@H]1CC[C@@H]1C(=O)NNC(=O)CC1CC1 848144581 XJZYHNPJYJAMEG-SFYZADRCSA-N 239.275 -0.555 50 20 BBGD CCNC(=O)N(C)NC(=O)[C@H](C)NC 848426654 MUVALBULWNMHDM-LURJTMIESA-N 202.258 -0.713 50 20 BBGD Cn1cc(/C=C(\C#N)C(=O)N[C@H]2C[C@H](O)C2)cn1 856395958 ZHELGINZPLHIJM-WSLJWSCUSA-N 246.270 -0.033 50 20 BBGD CC(C)C(=O)NNC(=O)c1cc(=O)n(C)cn1 873796602 HRLTXLGFYMLYLU-UHFFFAOYSA-N 238.247 -0.803 50 20 BBGD CN(C)C(=O)NNC(=O)c1cnn2cccnc12 1318160499 NHHQYSLRLYWEBT-UHFFFAOYSA-N 248.246 -0.355 50 20 BBGD O=C(NNc1nc2ccccn2n1)c1cnn[nH]1 1324534010 RXKCHIVHDYDKQC-UHFFFAOYSA-N 244.218 -0.396 50 20 BBGD O=C(CCc1cnc[nH]1)NNC(=O)NC1CC1 1324975888 KMGXLNAPXKVZKJ-UHFFFAOYSA-N 237.263 -0.165 50 20 BBGD C#C[C@@H](C)NC(=O)NNC(=O)C1CCOCC1 1333595898 NIPNMDDPFXDBFI-MRVPVSSYSA-N 239.275 -0.235 50 20 BBGD C[C@@H](CO)N(C)NC(=O)CCc1cn[nH]c1 1339601366 APPBLUTXVKYQQC-QMMMGPOBSA-N 226.280 -0.314 50 20 BBGD NCCNC(=O)NNC(=O)c1ccns1 1580312405 JSKUBNGWPNDRJG-UHFFFAOYSA-N 229.265 -0.954 50 20 BBGD CN(NC(=O)c1cccc(C(=O)O)n1)C(N)=O 1610126416 NXTFKDJHTBFWDQ-UHFFFAOYSA-N 238.203 -0.565 50 20 BBGD CCOCC(=O)NNC(=O)c1c[nH]nc1C 110758970 NPOLBRKQKVGTJA-UHFFFAOYSA-N 226.236 -0.484 50 20 BBGD COc1cc(C(=O)NC2CC2)ccc1B(O)O 203558826 YUROUWWCCSZTIP-UHFFFAOYSA-N 235.048 -0.733 50 20 BBGD COC(=O)NNC(=O)[C@H](C)OC[C@@H]1CCCO1 495449686 YYPQTJQUHOMEEA-YUMQZZPRSA-N 246.263 -0.042 50 20 BBGD C=CC[C@H](CO)CNCc1ccc(B(O)O)cc1 585033275 AGJKUHNRFBOOOW-LBPRGKRZSA-N 249.119 -0.359 50 20 BBGD OC[C@@H](CNCc1ccc(B(O)O)o1)C1CC1 585040259 DAABZGQLIKFHTB-SECBINFHSA-N 239.080 -0.933 50 20 BBGD CCCCCCOCC(=O)NCB(O)O 585060600 TVBXFBCUHCNOOZ-UHFFFAOYSA-N 217.074 -0.289 50 20 BBGD C[C@]1(C(=O)N2CC[C@@H](B(O)O)C2)CCCOC1 585064564 HTDKDXYPVCWQHW-KOLCDFICSA-N 241.096 -0.122 50 20 BBGD O=C(CO)NNC(=O)[C@@H](F)Cc1ccccc1 753444707 AMNQZZZBSOQGNZ-VIFPVBQESA-N 240.234 -0.293 50 20 BBGD CC(=O)NNC(=O)C(F)(F)C1(O)CCC1 763388265 SYTBEYNDXPRIDZ-UHFFFAOYSA-N 222.191 -0.296 50 20 BBGD CC[C@H](CO)C(=O)NNc1nccnc1OC 791225889 RVQYXGJQURXUMG-SSDOTTSWSA-N 240.263 -0.053 50 20 BBGD CC(=O)NNC(=O)[C@@H](O)Cc1ccccc1 792772818 CABYYDZOPCPXHO-JTQLQIEISA-N 222.244 -0.243 50 20 BBGD CCO[C@H]1CC(=NNC(=O)C(N)=O)[C@H]1SC 807944715 MWYJIYPKPDXKGK-NKWVEPMBSA-N 245.304 -0.516 50 20 BBGD O=C(C[C@H]1CCCC(=O)N1)NNc1cccnn1 809686926 QAZANJIJNOJECZ-MRVPVSSYSA-N 249.274 -0.022 50 20 BBGD CCN(CCO)NC(=O)[C@@H](C)n1cccn1 823847675 ZOHFKJATEZUNJJ-SECBINFHSA-N 226.280 -0.211 50 20 BBGD COC(=O)NN=C(C)c1cn(CC(=O)O)nn1 831207236 XZQKPXBSCNSGQH-UHFFFAOYSA-N 241.207 -0.557 50 20 BBGD CC(=NNC(=O)CN(C)C)c1cnc[nH]1 853301718 MRLKNAKIEMWLAZ-UHFFFAOYSA-N 209.253 -0.189 50 20 BBGD Cc1ccccc1C(=O)NNC(=O)[C@@H]1CC(=O)N1 854247642 ZGSOSEPRZURVIJ-VIFPVBQESA-N 247.254 -0.355 50 20 BBGD CNC(=S)N(C)NC(=O)c1nn(C)cc1C 854927444 IMZFEYKNDDQENJ-UHFFFAOYSA-N 241.320 -0.191 50 20 BBGD C[C@@H](O)CN(C)NC(=O)[C@H]1CCCN1C1CC1 910151084 ZJDIYPUFPVOEBW-MWLCHTKSSA-N 241.335 -0.043 50 20 BBGD O=C(NNc1ncccn1)C12CC(CN1)C2 912381766 PAECWTMVTMPJEG-UHFFFAOYSA-N 219.248 -0.328 50 20 BBGD CCC(=O)NNC(=O)CN1CCCC1=O 919650488 WPDGIRTZHJLMPO-UHFFFAOYSA-N 213.237 -0.834 50 20 BBGD CCNC(=O)NNC(=O)Cc1cnn(C)c1 1115937746 QOKIJLKZCUUEJL-UHFFFAOYSA-N 225.252 -0.687 50 20 BBGD CCOc1cc(C(=O)NNC(C)=O)[nH]n1 1118545316 HPPLPJTZZNXTOP-UHFFFAOYSA-N 212.209 -0.411 50 20 BBGD CNC(=O)NNC(=O)c1cnn(CCF)c1 1324037557 QWNSDZBZTZLDMM-UHFFFAOYSA-N 229.215 -0.574 50 20 BBGD O=C(Cc1cncs1)N1CC[C@H](B(O)O)C1 1331826697 LEWICQNNAKWOPU-ZETCQYMHSA-N 240.093 -0.239 50 20 BBGD CN1CCC(C(=O)NNC(=O)NC2CC2)CC1 1333073058 FUPGQRSWPHSGCQ-UHFFFAOYSA-N 240.307 -0.179 50 20 BBGD Cn1ncc(C(=O)NNC(=O)CO)c1C(F)F 1337722589 YSCZHHCCZGWVMA-UHFFFAOYSA-N 248.189 -0.889 50 20 BBGD CCNC(=O)NNC(=O)C[C@@H]1CCOC1 1339376601 ISWUSNDNFDKQJD-ZETCQYMHSA-N 215.253 -0.237 50 20 BBGD C[C@H](O)CN(C)NC(=O)CCc1cncnc1 1339541152 YKZHQZMXUOEJJN-VIFPVBQESA-N 238.291 -0.247 50 20 BBGD CN(C)CC(=O)NNC(=O)c1ccc(C#N)cc1 170758165 HTNUTKYWYGYWDG-UHFFFAOYSA-N 246.270 -0.119 50 20 BBGD CCOCC(=O)NNC(=O)Nc1ccon1 183534878 OWLKNDRCZKAYGX-UHFFFAOYSA-N 228.208 -0.136 50 20 BBGD CC(C)(O)C(=O)NNC(=O)c1cc(C#N)c[nH]1 276304927 UDLFHSPYWPLARS-UHFFFAOYSA-N 236.231 -0.582 50 20 BBGD CN1C(=O)[C@@H]2CN(C(=O)CCCl)C[C@H]2C1=O 409425770 GVHNTGFYUOUDNA-RNFRBKRXSA-N 244.678 -0.312 50 20 BBGD COC(=O)NCCCC(=O)NNC(C)=O 495409151 WYGBNNPNZAHHQG-UHFFFAOYSA-N 217.225 -0.710 50 20 BBGD CCc1ccccc1C(=O)NCB(O)O 585062458 IIRPDVSVTPZZHY-UHFFFAOYSA-N 207.038 -0.009 50 20 BBGD COc1ccccc1OCC(=O)NNC(N)=O 700876481 HGLPQAQXTNRDNI-UHFFFAOYSA-N 239.231 -0.227 50 20 BBGD CCCC(=O)NNC(=O)C(=O)N1CCCC1 748251523 VCWKWHAPSHJWIQ-UHFFFAOYSA-N 227.264 -0.444 50 20 BBGD COCC(=O)NN=Cc1cnc2ncccn12 755773208 SPVIYWQTLKSUEG-UHFFFAOYSA-N 233.231 -0.174 50 20 BBGD COC(=O)NNC(=O)C1(C(=O)NC2CC2)CC1 765853470 CLWCBAFBKGOPPM-UHFFFAOYSA-N 241.247 -0.568 50 20 BBGD COCCN(C)NC(=O)Cc1cnn(C)c1 808072966 ACGBYVZBIMFSSW-UHFFFAOYSA-N 226.280 -0.428 50 20 BBGD O=C(NCC1CC1)NNC(=O)[C@@H](O)C1CC1 823810939 XOENSDDBBRBEKI-QMMMGPOBSA-N 227.264 -0.502 50 20 BBGD COC[C@@](C)(O)C(=O)NN=c1cc[nH]c(C)c1 862512998 NSAIEWYBJGBBML-LLVKDONJSA-N 239.275 -0.348 50 20 BBGD CC1(C)C[C@@H]1C(=O)NNC(=O)CS(C)(=O)=O 863464407 NPMPEGVCGWNXRD-ZCFIWIBFSA-N 248.304 -0.776 50 20 BBGD CC(C)C1(C(=O)NNc2nc[nH]n2)COC1 899128353 WPVRBSDRLRDWRO-UHFFFAOYSA-N 225.252 -0.080 50 20 BBGD CC[C@H](C)[C@@H](NNC(=O)COC)C(=O)OC 905768944 YAMWKRBXUJOUHR-IONNQARKSA-N 232.280 -0.159 50 20 BBGD Cc1cc(=O)c(C(=O)NN(C)C[C@H](C)O)c[nH]1 1119644788 LGJGNVUFNQLRTF-QMMMGPOBSA-N 239.275 -0.359 50 20 BBGD Cn1cc(C(=O)NNC(=O)[C@H]2C[C@H]2F)cn1 1517381418 AXLDLYHETBGTBJ-NKWVEPMBSA-N 226.211 -0.461 50 20 BBGD C[C@H](C(=O)NNC(=O)c1cccnn1)C1CNC1 1575071002 FXKJQGLMKIDSCP-ZETCQYMHSA-N 249.274 -0.907 50 20 BBGD O=C(NNC(=O)[C@@H]1CCCCO1)c1c[nH]nn1 157752573 VCCGJBWZKZDFGK-ZETCQYMHSA-N 239.235 -0.865 50 20 BBGD CCOC(=O)NCCCC(=O)NN(C)C(N)=O 272131689 BQXPGUZIIVMWLU-UHFFFAOYSA-N 246.267 -0.446 50 20 BBGD C#CCO[C@H](C)C(=O)NNC(=O)OCC 496841206 SBBWZCJBYVHQOY-SSDOTTSWSA-N 214.221 -0.198 50 20 BBGD CC(C)OCCCNCc1ccc(B(O)O)o1 585014518 UPSCYZVDPOPEPY-UHFFFAOYSA-N 241.096 -0.136 50 20 BBGD CC[C@H](CCO)NCc1ccc(B(O)O)o1 585024868 FTDWYOSDRVFOHM-MRVPVSSYSA-N 227.069 -0.790 50 20 BBGD CCO[C@H]1C[C@H]1NCc1ccccc1B(O)O 585038357 BHINLHMFXAFGCU-NEPJUHHUSA-N 235.092 -0.367 50 20 BBGD O=C(Cc1ccc(F)cc1F)NCB(O)O 585061098 PNMYMWPFYPAGAJ-UHFFFAOYSA-N 228.991 -0.365 50 20 BBGD COCC(=O)NN=Cc1cc(C(N)=O)cs1 761817021 HDTQBFICXLZTAD-UHFFFAOYSA-N 241.272 -0.057 50 20 BBGD CN(C)C(=O)NNC(=O)c1cnn2ncccc12 765278772 QVUHGBHPRROJRQ-UHFFFAOYSA-N 248.246 -0.355 50 20 BBGD CC(C)(O)C(=O)NNC(=O)CC[C@@H]1CCOC1 768259734 OLTNNQPBQKHXDW-MRVPVSSYSA-N 244.291 -0.279 50 20 BBGD CN1C(=O)CC[C@H]1C(=O)NNC(=O)C1CC1 771604905 YLDMTOKSWPTGMT-ZETCQYMHSA-N 225.248 -0.835 50 20 BBGD O=C(NNC(=O)c1cncc(O)c1)NC1CC1 785954093 BZCKTHQQKLSFFR-UHFFFAOYSA-N 236.231 -0.106 50 20 BBGD CN(C)[C@@H]1CCCC(=NNC(=O)C(N)=O)C1 788408749 OUYLCLAIRCZQKM-MRVPVSSYSA-N 226.280 -0.552 50 20 BBGD O=C(Cc1cc[nH]n1)NN=C1CCOC1 814954425 FWCFCFKLLJEELN-UHFFFAOYSA-N 208.221 -0.155 50 20 BBGD CCN(CCO)NC(=O)[C@@]1(O)CCSC1 823869617 MZDDRHAASMSJNT-SECBINFHSA-N 234.321 -0.800 50 20 BBGD CCCNC(=O)NNC(=O)C1(N(C)C)CC1 823951708 UAKZDLXRYMPYPI-UHFFFAOYSA-N 228.296 -0.179 50 20 BBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@H]1C[C@@H](O)C1 824016543 NQWXTUDTQMSKLQ-MAUMQABQSA-N 242.275 -0.670 50 20 BBGD CN(CCN)S(=O)(=O)CBr 850589285 RHSKQUKOQQXJLQ-UHFFFAOYSA-N 231.115 -0.441 50 20 BBGD CO[C@H](C=NNC(=O)C(N)=O)C1CCCC1 853260599 ZWDKDJRKAJIPDM-MRVPVSSYSA-N 227.264 -0.221 50 20 BBGD CCO/C=C(/C#N)C(=O)NN(C)C(=S)NC 854923290 QEONQCFQVKZTSQ-SREVYHEPSA-N 242.304 -0.102 50 20 BBGD C[C@H](O)C(=O)NNC(=O)OCC(F)(F)F 856020441 HOYKJSMUZXDDPC-VKHMYHEASA-N 230.142 -0.313 50 20 BBGD COc1ccnc(NNC(=O)[C@H]2C[C@@H](O)C2)n1 873984210 ZHQBMOLADOWOFS-KNVOCYPGSA-N 238.247 -0.301 50 20 BBGD CC[C@](C)(O)C(=O)NNC(=O)NCC1CC1 930735357 XITVDQLHYIZSEE-JTQLQIEISA-N 229.280 -0.112 50 20 BBGD CCN1C[C@@H](CNC(=O)NN)CC1=O 1118251386 NVYOMPBLIQTSBA-ZCFIWIBFSA-N 200.242 -0.972 50 20 BBGD C=CCNC(=S)NNC(=O)CC1COC1 1119528419 ZRZMSHBLEVXBEP-UHFFFAOYSA-N 229.305 -0.296 50 20 BBGD CC(=O)NNC(=S)NC[C@@H]1CCOC1 1319379927 CUMWZZAMGGMMRY-ZETCQYMHSA-N 217.294 -0.462 50 20 BBGD Cn1cc([C@@H](O)C(=O)NNc2ccncn2)cn1 1328607281 XAXXOIVYUSAIPL-SECBINFHSA-N 248.246 -0.613 50 20 BBGD CCN(CCO)NC(=O)CCCCC(=O)NC 1330260496 DZFBSRMJPWCKLY-UHFFFAOYSA-N 245.323 -0.362 50 20 BBGD CNC(=O)NNC(=O)c1ccnc(F)c1F 1344336834 WYXJQQUVDKSDED-UHFFFAOYSA-N 230.174 -0.066 50 20 BBGD CC(C)C(=O)NNC(=O)[C@@H]1CCCS1(=O)=O 1349779819 WWFWTZJIFQHQOY-ZETCQYMHSA-N 248.304 -0.633 50 20 BBGD C[C@@H](CO)N(C)NC(=O)c1cccc[n+]1[O-] 1352229475 KAOLNIAFEZKGRC-QMMMGPOBSA-N 225.248 -0.723 50 20 BBGD Cc1ccc(C(=O)NNC(=O)CN(C)N)cc1 1574149063 ISCOXNGLQRKZNH-UHFFFAOYSA-N 236.275 -0.438 50 20 BBGD C[C@H](NC(=O)c1cccs1)C(=O)NN 36962886 GFALRBDFBQNXHQ-YFKPBYRVSA-N 213.262 -0.144 50 20 BBGD O=C(NNC(=O)[C@H]1CCCO1)c1cc[nH]n1 294103422 YLEDVSGARCZJDT-SSDOTTSWSA-N 224.220 -0.650 50 20 BBGD CSSCCNC(=O)Cn1cnc(=N)[nH]1 397937004 OHYOHHXZYMFVNQ-UHFFFAOYSA-N 247.349 -0.182 50 20 BBGD O=C(NC[C@@H]1CCOC1)c1ccc(B(O)O)cc1 584934100 OYNLSDNVBBRKEK-VIFPVBQESA-N 249.075 -0.867 50 20 BBGD CC(C)(O)CCNCc1ccc(B(O)O)o1 585036018 CAOCDBVXRAAFCZ-UHFFFAOYSA-N 227.069 -0.790 50 20 BBGD O=C(NCB(O)O)[C@H]1COc2ccccc21 585061916 MLLGLOYBWRWWGE-QMMMGPOBSA-N 221.021 -0.709 50 20 BBGD C[C@H](CNS(=O)(=O)CCl)S(C)(=O)=O 697592633 SUUVJNLUNDGSDN-RXMQYKEDSA-N 249.741 -0.465 50 20 BBGD O=C(NN=C1CCOC1)C(=O)NC1CC1 731924593 GICNBTGIJSSAPI-UHFFFAOYSA-N 211.221 -0.843 50 20 BBGD Cc1ccc(C(=O)NN(C)[C@@H](C)CO)nn1 823918375 WITMNBQKNFCVRY-QMMMGPOBSA-N 224.264 -0.258 50 20 BBGD C=CCCOCC(=O)NN(C)[C@@H](C)CO 823966007 XPDYTLPVTPESCZ-VIFPVBQESA-N 216.281 -0.077 50 20 BBGD Cc1cccc(C(=O)NNC(=O)[C@H]2CC(=O)N2)n1 834815084 HGMPEHUHEJWSDP-MRVPVSSYSA-N 248.242 -0.960 50 20 BBGD C/C=C\C(=O)NNC(=O)N1CCN(C)CC1 854378970 JSPKHIDRDPRTCW-ARJAWSKDSA-N 226.280 -0.449 50 20 BBGD CC1(CC(=O)NNC(=O)[C@H]2CCC(=O)N2)CC1 862458336 CSOWFUYFYMVYPX-SSDOTTSWSA-N 239.275 -0.397 50 20 BBGD CO[C@@H](CN)C(=O)NNC(=O)c1ccccc1 884377618 PTMIIILWVBIDKG-VIFPVBQESA-N 237.259 -0.579 50 20 BBGD COCc1cc(C(=O)NN(C)C[C@H](C)O)no1 910162024 BXVLPBNCMCDQOQ-ZETCQYMHSA-N 243.263 -0.222 50 20 BBGD O=C(NNC(=O)[C@H]1C[C@@H]1F)c1ncon1 1263924571 ZXIUMXWVZZPJAN-IMJSIDKUSA-N 214.156 -0.811 50 20 BBGD COc1ncc(C=NNC(=O)C(N)=O)s1 1323974970 NHRVOYJAETUPFZ-UHFFFAOYSA-N 228.233 -0.913 50 20 BBGD Cn1nncc1NNC(=O)C1(C#N)CCC1 1324334795 OFZQTNYYSOPLGE-UHFFFAOYSA-N 220.236 -0.048 50 20 BBGD Cc1c(C(=O)N2CC[C@H](B(O)O)C2)cnn1C 1329216570 YTTDCYSDTMRGGL-QMMMGPOBSA-N 237.068 -0.583 50 20 BBGD CCc1cc(C(=O)NNC(C)=O)nn1C 1330504477 NPXFBMRYZVLXCY-UHFFFAOYSA-N 210.237 -0.237 50 20 BBGD CCNC(=O)NNC(=O)CO[C@@H]1CCOC1 1339908823 TXUOYCZRJJNUDC-SSDOTTSWSA-N 231.252 -0.858 50 20 BBGD CC(C)C(=O)NNC(=O)NCc1cn(C)cn1 1341254362 JDYRPWXZUSLXTB-UHFFFAOYSA-N 239.279 -0.094 50 20 BBGD Cc1noc(CCC(=O)NN(C)C[C@@H](C)O)n1 1350778033 IJPDJCLDFLCGKQ-SSDOTTSWSA-N 242.279 -0.346 50 20 BBGD CNC(=O)NNC(=O)C1(C(=O)O)CC=CC1 1593793096 KANPIRODPYDKFH-UHFFFAOYSA-N 227.220 -0.632 50 20 BBGD CCO[C@H]1C[C@@H]1C(=O)NN(C)C(N)=O 182641260 WAOYRAYXHWKYDA-WDSKDSINSA-N 201.226 -0.547 50 20 BBGD Cc1ncc(B(O)O)cc1Br 238571196 DQGDXNZOPUNCKT-UHFFFAOYSA-N 215.843 -0.168 50 20 BBGD O=C(CC1CC1)NNC(=O)c1cnc[nH]1 294092754 ISQSDUJXYSSXIC-UHFFFAOYSA-N 208.221 -0.029 50 20 BBGD CC(=O)NNC(=O)CN1CCCCCCC1=O 299234124 SBCJBDVCAGHSGM-UHFFFAOYSA-N 241.291 -0.054 50 20 BBGD C[C@H](N)C(=O)NNc1nncc(N)c1Cl 381356229 CVMRRCXBLNSMHE-VKHMYHEASA-N 230.659 -0.498 50 20 BBGD COC(=O)NNC(=S)NC1CCN(C)CC1 490753277 DQERJVORHLRBFJ-UHFFFAOYSA-N 246.336 -0.184 50 20 BBGD C[C@@H](C#N)CN(C)C(=O)c1ccc(B(O)O)cc1 584934208 MJXKWZMXHJDKKR-VIFPVBQESA-N 246.075 -0.402 50 20 BBGD C=CCOCC(=O)NNC(=O)c1cccn1C 729304257 MXNWQRQKZJBGEQ-UHFFFAOYSA-N 237.259 -0.011 50 20 BBGD COCC(=O)NN=C1CCN2CCC[C@H]12 765585140 XFTRQQUUGRKEQM-SECBINFHSA-N 211.265 -0.027 50 20 BBGD CON=CC(=O)NNc1nccc(OC)n1 773776259 GNBKZHYKXMWQBS-UHFFFAOYSA-N 225.208 -0.440 50 20 BBGD CC(C)NC(=O)NNC(=O)CC1OCCO1 793259474 TUTTUSMGSIFPEX-UHFFFAOYSA-N 231.252 -0.512 50 20 BBGD COCCC(COC)=NNC(=O)CN(C)C 812226301 ZAJUXSRKMNKSRM-UHFFFAOYSA-N 231.296 -0.297 50 20 BBGD CCO/C=C(\C#N)C(=O)NCCn1cnnn1 819458521 GJUWTVBILPPHIW-SOFGYWHQSA-N 236.235 -0.767 50 20 BBGD C[C@H](CO)N(C)NC(=O)c1cccc(=O)n1C 823939849 QJHHBXUYCSUDLJ-MRVPVSSYSA-N 239.275 -0.657 50 20 BBGD CC(C)(C)OC(=O)NNC(=O)C[C@@H]1CC(=O)N1 854162381 GSZZZLKKTPVBCC-LURJTMIESA-N 243.263 -0.179 50 20 BBGD C=CCNC(=S)NNC(=O)[C@@](C)(O)C=C 854185806 KUAASCSQUWZELW-VIFPVBQESA-N 229.305 -0.395 50 20 BBGD CC(C)C(=O)NNC(=O)[C@H]1CCCN1C=O 854213262 BNMNWVQLDPCTBT-MRVPVSSYSA-N 227.264 -0.589 50 20 BBGD CN(NC(=O)[C@H]1CCCNC1=O)C1CC1 868962340 VROONHWRBGZNDS-QMMMGPOBSA-N 211.265 -0.362 50 20 BBGD O=C1C[C@H](C(=O)NNC(=O)C2CCC2)CCN1 1319677005 IOPWHKKQLLTERB-MRVPVSSYSA-N 239.275 -0.540 50 20 BBGD O=C(CC[C@H]1CCOC1)N1CC[C@@H](B(O)O)C1 1331896750 RQONVKGOOJZLMU-VHSXEESVSA-N 241.096 -0.122 50 20 BBGD CC(C)NC(=S)NNC(=O)c1cccnn1 1334888619 CEGLOHIVZGSPMP-UHFFFAOYSA-N 239.304 -0.006 50 20 BBGD CN(C)C(=O)NNC(=O)[C@H](O)c1ccccn1 1335759235 JBODRXCBLDCBNB-MRVPVSSYSA-N 238.247 -0.583 50 20 BBGD C[C@@H](CC(N)=O)C(=O)NNc1ncccn1 1340104808 JZKIPDBDJBLDQA-LURJTMIESA-N 223.236 -0.569 50 20 BBGD N#Cc1ccccc1C=NNC(=O)C(N)=O 1341143718 BRSIOQQOXFWEAC-UHFFFAOYSA-N 216.200 -0.506 50 20 BBGD C#CCCCC(=O)NNC(=O)c1cccc[n+]1[O-] 1351835568 SFSVNWQFLZPWJU-UHFFFAOYSA-N 247.254 -0.116 50 20 BBGD NCC(=O)NNC(=O)[C@H]1CCOC2(CCC2)C1 1580211300 YDMBXERGFAKBPF-QMMMGPOBSA-N 241.291 -0.558 50 20 BBGD O=C(NC/C=C\C1CC1)NNC(=O)C(=O)O 1601491464 LFFBMRRRTHSMAU-UPHRSURJSA-N 227.220 -0.632 50 20 BBGD Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NN 212552748 ZILWMKUUTOARSD-UHFFFAOYSA-N 234.259 -0.214 50 20 BBGD CCc1ocnc1C(=O)NNC(=O)C(C)(C)O 277918556 IMFJTGDBBUAUGY-UHFFFAOYSA-N 241.247 -0.231 50 20 BBGD C=CCNC(=S)NNC(=O)[C@@H](C)OC 281381729 XJAZITZBAMKKMR-ZCFIWIBFSA-N 217.294 -0.297 50 20 BBGD OB(O)c1ccc(CN[C@H]2CC[C@@H](F)C2)o1 585040420 KFIMCWSYUMLILI-SFYZADRCSA-N 227.044 -0.060 50 20 BBGD CC(C)[C@H](C(=O)NNC(=O)N(C)C)N(C)C 732064146 YVBFHCKWZQRQHN-MRVPVSSYSA-N 230.312 -0.125 50 20 BBGD N#Cc1c[nH]c(C(=O)NNC(=O)NC2CC2)c1 748528765 JHQWVPDAOHBAMJ-UHFFFAOYSA-N 233.231 -0.007 50 20 BBGD C[C@@H](C(=O)NNC(=O)c1cccnc1)N(C)C 750015599 FXPWXCWIKVZTNW-QMMMGPOBSA-N 236.275 -0.207 50 20 BBGD COCCOCC(=O)NNc1ncc(F)cn1 762090032 CMHQSZZPNKJVFB-UHFFFAOYSA-N 244.226 -0.278 50 20 BBGD CCNC(=O)N(C)NC(=O)[C@@]1(O)CCSC1 768409703 KIOSAHJQRPHJBE-SECBINFHSA-N 247.320 -0.453 50 20 BBGD CN(NC(=O)c1ccc2nn[nH]c2c1)C(N)=O 778416922 KPTYJMHCUUPGNK-UHFFFAOYSA-N 234.219 -0.387 50 20 BBGD COC(=O)CNC(=O)NN=C1CN(C)C[C@@H]1C 779817440 RMSBTPOEISZDBC-ZETCQYMHSA-N 242.279 -0.604 50 20 BBGD COC(=O)c1cn(CCNC=C(C#N)C#N)nn1 790573051 BXVIMAOFUWLASS-UHFFFAOYSA-N 246.230 -0.415 50 20 BBGD CC(C[C@H]1CCC(=O)N1)=NNC(=O)CO 811647023 UKHYBZFMDVIRSO-SSDOTTSWSA-N 213.237 -0.861 50 20 BBGD O=C(NNc1nc[nH]n1)c1cccnc1O 816633922 RCKVOABQFXORRD-UHFFFAOYSA-N 220.192 -0.338 50 20 BBGD CC(=O)NNS(=O)(=O)CCOCC1CC1 818048666 WYXKWJVOJVIGOA-UHFFFAOYSA-N 236.293 -0.617 50 20 BBGD CCNC(=O)CCC(=O)NN(C)[C@H](C)CO 823959342 GPVUTDPMXKIBPD-MRVPVSSYSA-N 231.296 -0.754 50 20 BBGD COC(=O)NCCC(=O)NN(C)[C@@H](C)CO 823959868 RHWWXSIHTKXVHV-ZETCQYMHSA-N 233.268 -0.924 50 20 BBGD O=C(CC1CC1)NNC(=O)[C@H]1CCOC(=O)N1 861842833 VEQSZMPUEVFDJK-SSDOTTSWSA-N 241.247 -0.568 50 20 BBGD CN(NC(=O)[C@H]1CCOC(=O)N1)C1CC1 862037934 OVCOCANXRDNFHH-SSDOTTSWSA-N 213.237 -0.390 50 20 BBGD C[C@H](O)C(=O)NN[C@@H](C)C(F)(F)F 862317065 UTRFLGJRCKGQMB-IMJSIDKUSA-N 200.160 -0.061 50 20 BBGD CCN1CCO[C@@H](C(=O)NN(C)C[C@H](C)O)C1 910163943 UIWUFNBSEYNGHT-VHSXEESVSA-N 245.323 -0.949 50 20 BBGD CC(=O)NNC(=O)[C@@H](C)OCC1CC1 920805651 QZGMYVGJIJPXQK-ZCFIWIBFSA-N 200.238 -0.031 50 20 BBGD CCNC(=S)NNC(=O)c1ncccn1 1117950352 FEEGFYJNEGPGJO-UHFFFAOYSA-N 225.277 -0.395 50 20 BBGD O=C(CCO)NN=Cc1ccc(O)cc1O 1319365880 ZUAPPHWAAYMUAH-UHFFFAOYSA-N 224.216 -0.070 50 20 BBGD CN(NC(=O)c1cc(C2CC2)[nH]n1)C(N)=O 1323533817 HHDNBQJTAXVHPJ-UHFFFAOYSA-N 223.236 -0.058 50 20 BBGD COCCCC(=O)NNc1cnnn1C 1327874132 NCSWUQUBYNZYOV-UHFFFAOYSA-N 213.241 -0.315 50 20 BBGD CN(C)CC1(C(=O)NNc2cnnn2C)CC1 1330737269 AIWURBPDEINHJK-UHFFFAOYSA-N 238.295 -0.400 50 20 BBGD CCNC(=O)NNC(=O)[C@H](C)[C@@H]1CCC(=O)N1 1331326198 RLYGYGOHWIAAGF-RQJHMYQMSA-N 242.279 -0.749 50 20 BBGD O=C(NN=c1cc[nH]cc1)c1ccc[n+]([O-])c1 1337465007 CQEOHPZCJVWGOM-UHFFFAOYSA-N 230.227 -0.106 50 20 BBGD CO[C@H](C(=O)O)C(=O)NNC(=O)CC(C)(C)C 1604434740 MFMXVAODBUIVQP-ZETCQYMHSA-N 246.263 -0.330 50 20 BBGD O=S(=O)(CCCCl)NCCOCCO 40809936 KEPBGTWZEXMZFL-UHFFFAOYSA-N 245.728 -0.456 50 20 BBGD COc1csc(C(=O)NNC(=O)CO)c1 180960972 SGKULYWRKAPZMS-UHFFFAOYSA-N 230.245 -0.490 50 20 BBGD CC1CCN(CC(=O)NN(C)C(N)=O)CC1 182652705 FHGADCANPMLUFJ-UHFFFAOYSA-N 228.296 -0.240 50 20 BBGD O=C(CO)NNC(=O)Cc1ccc2c(c1)CCC2 182750212 OLMYQFVNIBQVEU-UHFFFAOYSA-N 248.282 -0.143 50 20 BBGD CCOC(=O)CC(=O)NN(C)C(=O)OC 286444663 RYOBLMQWRHWUCA-UHFFFAOYSA-N 218.209 -0.331 50 20 BBGD COCCN(C)NC(=O)c1cn(C)nc1C 293767044 ZOHCBENHEHZPDT-UHFFFAOYSA-N 226.280 -0.048 50 20 BBGD COC(=O)CN(CC#N)C(=O)CCl 388371892 XOGXUXCAZVXZGN-UHFFFAOYSA-N 204.613 -0.250 50 20 BBGD CCCNC(=O)NNC(=O)[C@](C)(O)COC 754985340 CWMGBOSUAUCICM-SECBINFHSA-N 233.268 -0.876 50 20 BBGD CCNC(=O)NNC(=O)[C@@H]1CCO[C@H]1C 770712229 XXXHXFSRRUEBMM-NKWVEPMBSA-N 215.253 -0.238 50 20 BBGD CC[C@@H](CO)C(=O)NNC(=O)c1ccncc1 779717661 VSWDTNHTZDBFAN-QMMMGPOBSA-N 237.259 -0.139 50 20 BBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)C1(C)COC1 843661515 MFRMRYRNVRYGFR-HTQZYQBOSA-N 242.275 -0.405 50 20 BBGD COCCOCC(=O)NNC(=O)[C@@H]1C[C@H]1C 869907067 AFLVPRIJAHQYSP-HTQZYQBOSA-N 230.264 -0.547 50 20 BBGD CCOC(=O)[C@@H]1C[C@H]1C(=O)NNC(=O)OC 891771913 VENWQXNPHXQESQ-PHDIDXHHSA-N 230.220 -0.427 50 20 BBGD CC[C@H](O)[C@@H](C)C(=O)NNC(=O)C1CC1 899938176 WBAUGASSGFQPSV-SVRRBLITSA-N 214.265 -0.049 50 20 BBGD COC(=O)C(=O)NNC(=O)N[C@@H]1C[C@H]1C(C)C 1229773362 XEWKIKSZUKCWKF-NKWVEPMBSA-N 243.263 -0.466 50 20 BBGD CCn1nncc1C(=O)NNc1ncccn1 1324206560 AJCJKSDQZNOHAF-UHFFFAOYSA-N 233.235 -0.155 50 20 BBGD CCCNC(=O)NNC(=O)c1[nH]nnc1C 1324886848 SUPVZKZRWCPUFS-UHFFFAOYSA-N 226.240 -0.533 50 20 BBGD O=C(NNc1ccncn1)[C@]1(O)CCOC1 1329617183 IEESFHQRZWPVNW-VIFPVBQESA-N 224.220 -0.929 50 20 BBGD CCO/C=C(/C#N)C(=O)N=c1ccn(C)c(O)n1 1335047950 VLWDYICJQDKAJX-FPLPWBNLSA-N 248.242 -0.003 50 20 BBGD COCCn1ccc(C(=O)NNC(C)=O)n1 1343320325 COAORSCZCNMWRD-UHFFFAOYSA-N 226.236 -0.690 50 20 BBGD Cc1nc[nH]c1CC(=O)NNC(=O)C1CC1 1344130087 WDHBWKPLDHHGQX-UHFFFAOYSA-N 222.248 -0.182 50 20 BBGD CC(C)(C)OC(=O)NNC(=O)COCC(=O)O 1588717541 AUHQGXDBUHCYBP-UHFFFAOYSA-N 248.235 -0.357 50 20 BBGD CC(C)(O)C(=O)NNC(=O)CCCCC(=O)O 1590882858 REGCLPAHCPKFDN-UHFFFAOYSA-N 246.263 -0.450 50 20 BBGD O=C(O)C(=O)N1C[C@H]2[C@H](Br)[C@H]2C1 1594827944 TZQDQUISPBMWBH-SCDXWVJYSA-N 234.049 -0.077 50 20 BBGD O=C(O)Cn1cccc1C=NNC(=O)CO 1595157979 AUFCNSIWVSLJNA-UHFFFAOYSA-N 225.204 -0.985 50 20 BBGD CC(C)NC(=S)NNC(=O)CCC(=O)O 1603075354 PLIHPLAIWFDVRP-UHFFFAOYSA-N 233.293 -0.245 50 20 BBGD CCOC(=O)CC(=O)NNC(=O)[C@@H]1CCCO1 270676022 RMPOWKDLVUUVLM-ZETCQYMHSA-N 244.247 -0.734 50 20 BBGD CN(NC(=O)c1cncs1)C(N)=O 306757630 NMMRLYOQFVOXRY-UHFFFAOYSA-N 200.223 -0.202 50 20 BBGD CCC1(S(=O)(=O)N2CC[C@@H](B(O)O)C2)CC1 585057087 KLPATAPFGUOBKF-MRVPVSSYSA-N 247.125 -0.193 50 20 BBGD OB(O)c1ccc(OCCOC2CC2)cc1 711717296 YPUSMKZSWDCOCP-UHFFFAOYSA-N 222.049 -0.076 50 20 BBGD CC(C)C(=O)NNC(=O)[C@H]1C[C@H]1C(=O)O 736347684 WSJJKPRVOUSCFS-NTSWFWBYSA-N 214.221 -0.490 50 20 BBGD Cc1nonc1C(=O)NNC(=O)c1ccncc1 746092019 SKUQXMBUCRWMIC-UHFFFAOYSA-N 247.214 -0.152 50 20 BBGD CNC(=O)NNC(=O)c1cnc2ccccn12 762060356 JJKWPEMLISLFAW-UHFFFAOYSA-N 233.231 -0.092 50 20 BBGD CCNC(=O)N(C)NC(=O)[C@@H]1CCOC1 770550255 XAEUYJUKVGUPFF-SSDOTTSWSA-N 215.253 -0.285 50 20 BBGD CN(NC(=O)[C@H]1CCCCN1C)C(N)=O 778414347 BDEQEMSWDNJSEB-SSDOTTSWSA-N 214.269 -0.488 50 20 BBGD CC(C)[C@H](O)C(=O)NNC(=O)Cc1cc[nH]n1 813443875 TXNOHEBLNATRHF-VIFPVBQESA-N 240.263 -0.884 50 20 BBGD CCN(CCO)NC(=O)c1cnc2nccn2c1 823903122 ZZNQQVTYIBUDMU-UHFFFAOYSA-N 249.274 -0.312 50 20 BBGD C[C@@H](C(=O)O)C(=O)NNc1ncccn1 842547613 QYHLALVTVQAPIL-RXMQYKEDSA-N 210.193 -0.360 50 20 BBGD CCC(=O)NNC(=O)[C@H](C)N1CC[C@@H](NC)C1 843344759 VSVWHYGADZDMLR-DTWKUNHWSA-N 242.323 -0.774 50 20 BBGD O=C(O)[C@H]1C[C@@H](NS(=O)(=O)CCl)C1 864501343 WWBHVURVZLDAGV-SYDPRGILSA-N 227.669 -0.035 50 20 BBGD CC(=O)OC(C)(C)C(=O)NN(C)C[C@@H](C)O 910161543 VPCQYGNVAVGNNN-SSDOTTSWSA-N 232.280 -0.328 50 20 BBGD C=CCCOCC(=O)NN(C)C[C@H](C)O 910167558 HUZREURBDMSHBD-VIFPVBQESA-N 216.281 -0.077 50 20 BBGD CC[C@H](O)[C@H](C)C(=O)NN(CC)CCO 911443792 MZQGSSKESAHWFS-IUCAKERBSA-N 218.297 -0.261 50 20 BBGD CC(C)NC(=S)NNC(=O)[C@H](O)C1CC1 1118544636 CPFBFHHYSSMNHX-SSDOTTSWSA-N 231.321 -0.339 50 20 BBGD CN(NC(=O)c1ccc(C#N)cn1)C(N)=O 1319972869 NAHHRGKFDFTWFU-UHFFFAOYSA-N 219.204 -0.391 50 20 BBGD CN(N)C(=O)CCOc1ccc(C(N)=O)cc1 1573877248 LKVOZGOIYWNAGN-UHFFFAOYSA-N 237.259 -0.114 50 20 BBGD CC(C)(O)C(=O)NNC(=O)[C@H]1CCC[C@H]1N 1575378003 HUGBHZPVGFYBKN-NKWVEPMBSA-N 229.280 -0.968 50 20 BBGD CCCNNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 1577574639 KMCTXVJJABZIIQ-NKWVEPMBSA-N 215.253 -0.950 50 20 BBGD C[C@H](C(=O)O)C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 1588573330 BOQKJVPGFSXCFI-RRKCRQDMSA-N 244.247 -0.721 50 20 BBGD C[C@H](CC(=O)O)NC(=O)NNc1cccnn1 1603125317 GLEJLRAQDSIFHY-ZCFIWIBFSA-N 239.235 -0.034 50 20 BBGD COCC(=O)NNC(=O)c1cc(C)n[nH]1 153008863 CKYKGBKWZMGKRM-UHFFFAOYSA-N 212.209 -0.874 50 20 BBGD C[C@H](N)C(=O)NNC(=O)c1cccn1C 157120454 KZAOYDBPILWWMG-LURJTMIESA-N 210.237 -0.867 50 20 BBGD C[C@H](NS(=O)(=O)CBr)C(=O)O 275043974 HJQAJBBDAVEIKQ-VKHMYHEASA-N 246.082 -0.269 50 20 BBGD Cn1ccc(C(=O)NNC(=O)CC2CC2)cc1=O 294009131 BFSLHCGKSBJMMF-UHFFFAOYSA-N 249.270 -0.054 50 20 BBGD CNC(=O)NN=Cc1c(C)nn(C)c1N 393475383 LSFMRWICEKOOTL-UHFFFAOYSA-N 210.241 -0.426 50 20 BBGD CCOC(=O)NCCCC(=O)NNC(=O)NC 496754040 CQMMWYUDBLJVOI-UHFFFAOYSA-N 246.267 -0.527 50 20 BBGD O=C(Nc1cccc(B(O)O)c1)[C@@H]1CC[C@@H](O)C1 584914040 OCCFKXPDYMBVFQ-LDYMZIIASA-N 249.075 -0.534 50 20 BBGD O=C(NCB(O)O)c1cccc(Cl)n1 585061143 QHIDUHLYCROSGF-UHFFFAOYSA-N 214.417 -0.523 50 20 BBGD O=C(NCB(O)O)c1ccnc(C2CC2)c1 585062815 NUHDEVAFNKYAMN-UHFFFAOYSA-N 220.037 -0.299 50 20 BBGD CCC(=O)NNS(=O)(=O)N1CCCCC1 742026132 ZIRZZHSRXPUILG-UHFFFAOYSA-N 235.309 -0.252 50 20 BBGD CN1CCc2cc(C=NNC(=O)C(N)=O)ccc21 752718796 PHVBCTSPRVATGM-UHFFFAOYSA-N 246.270 -0.386 50 20 BBGD CCc1nc(C)c(C(=O)NNC(=O)CO)s1 753442331 FBZIWSWEHLSZRU-UHFFFAOYSA-N 243.288 -0.233 50 20 BBGD COC(=O)C[C@H](C)C(=O)NNC(=O)NC(C)C 758461071 NSNCDRDLIILWPB-ZETCQYMHSA-N 245.279 -0.076 50 20 BBGD CN1CCc2cc(C(=O)NNC(=O)CO)ccc21 779402091 BGQLXPPTFUQBQY-UHFFFAOYSA-N 249.270 -0.568 50 20 BBGD CNC(=O)NNC(=O)c1cccc2nn[nH]c12 781080775 SAHOUSPONWDLRE-UHFFFAOYSA-N 234.219 -0.468 50 20 BBGD CC#CC(=O)NNC(=O)Cc1cccnc1 801151781 VMZUXFSYWKOECH-UHFFFAOYSA-N 217.228 -0.205 50 20 BBGD CC(C)(C)OCCCC(=O)NNC(=O)CO 807195814 LTCWSYAEFZHRRR-UHFFFAOYSA-N 232.280 -0.279 50 20 BBGD CON=CC(=O)NNc1ccnc(N(C)C)n1 809689203 KQECXDQDQJITMQ-UHFFFAOYSA-N 238.251 -0.382 50 20 BBGD CN(NC(=O)c1nccnc1N)C1CC1 819648027 VXCCMCQGOLZWDD-UHFFFAOYSA-N 207.237 -0.202 50 20 BBGD CSCC1(CC(=O)NNC(=O)CO)CC1 846636605 MOXFYUMJXMNNJA-UHFFFAOYSA-N 232.305 -0.341 50 20 BBGD CNC(=S)N(C)NC(=O)CCn1ccnn1 854920815 UXPSTJOLOJCGOO-UHFFFAOYSA-N 242.308 -0.865 50 20 BBGD CCCN(C)CC(=O)NNC(=O)c1cc[nH]n1 855358743 UQCWBWCTEBTRPG-UHFFFAOYSA-N 239.279 -0.488 50 20 BBGD O=C(CO)NNC(=O)[C@H]1CCN1C1CCCC1 862468515 KAGCQMASKFLFDB-SECBINFHSA-N 241.291 -0.857 50 20 BBGD O=C(NNC(=O)C1CC1)c1csc(CO)n1 864444126 VBXJPGWYVZLBOI-UHFFFAOYSA-N 241.272 -0.194 50 20 BBGD O=C(NNC(=O)[C@H]1C[C@@H](O)C1)c1ccccn1 873723389 ZPTSWPRUTUFPKF-OCAPTIKFSA-N 235.243 -0.387 50 20 BBGD O=C(O)C1CC(NCc2ccc(B(O)O)cc2)C1 901796989 XEQQSFYTBXIYRT-UHFFFAOYSA-N 249.075 -0.681 50 20 BBGD COC(=O)CC(=O)NNc1cccnn1 907330975 XSLOLCGLRXVAJY-UHFFFAOYSA-N 210.193 -0.517 50 20 BBGD C=CC(=O)N(CC)CC(=O)NN(C)C(=O)OC 908114973 OGTFFULRNURZJW-UHFFFAOYSA-N 243.263 -0.250 50 20 BBGD CNC(=S)N(C)NC(=O)[C@@H]1[C@H]2CCC(=O)[C@@H]21 909994060 UAYWISIYSRACQO-UIISKDMLSA-N 241.316 -0.321 50 20 BBGD CCC[C@@H](O)CC(=O)NN(C)C[C@H](C)O 910160584 KYRGSLXXOOXASY-DTWKUNHWSA-N 218.297 -0.119 50 20 BBGD CC(=NNC(=O)CS(C)(=O)=O)c1cc[nH]n1 1118952385 DHAQVNMNKWEFHQ-UHFFFAOYSA-N 244.276 -0.706 50 20 BBGD CNC(=O)NNC(=O)c1nccn2ccnc12 1319268115 JMQLSBSXSIFRFY-UHFFFAOYSA-N 234.219 -0.697 50 20 BBGD O=C(NNc1ncccc1F)C(=O)NC1CC1 1322171657 LFEIMXSSYGNNGX-UHFFFAOYSA-N 238.222 -0.058 50 20 BBGD O=C(NNc1cccc(F)n1)C(=O)NC1CC1 1322582678 FFPUEIYMIJFTFN-UHFFFAOYSA-N 238.222 -0.058 50 20 BBGD O=C1CC[C@H](C(=O)NN=Cc2cncs2)N1 1331723278 QXPRQONAONYFFP-SSDOTTSWSA-N 238.272 -0.128 50 20 BBGD CS[C@@H](C)CNC(=O)NNC(=O)C(=O)O 1599785367 TUNYIBZIVIFONQ-BYPYZUCNSA-N 235.265 -0.847 50 20 BBGD COCCNC(=O)NNc1nccc(OC)n1 42842959 RBALJYSEPCTRKX-UHFFFAOYSA-N 241.251 -0.242 50 20 BBGD COc1ccnc(NNC(=O)[C@H](C)OC)n1 48699021 LBNPNFJQRCFMDU-LURJTMIESA-N 226.236 -0.037 50 20 BBGD CN(C)C[C@@](C)(O)CNS(=O)(=O)CCl 228034276 KDINAIXXYGOKDN-ZETCQYMHSA-N 244.744 -0.585 50 20 BBGD CC(=O)NNC(=O)Nc1cc(N(C)C)ncn1 290314845 CNWVDWHOTKQCAB-UHFFFAOYSA-N 238.251 -0.285 50 20 BBGD O=C(CCO)NN=Cc1c[nH]c(C(=O)O)c1 378707664 QWOYICYIOSHTQY-UHFFFAOYSA-N 225.204 -0.455 50 20 BBGD COC(C)(C)CNCc1ccc(B(O)O)cc1 585026255 FFROJZAVRADNID-UHFFFAOYSA-N 237.108 -0.119 50 20 BBGD NC(=O)C1(C(=O)NNC(=O)C2CCCC2)CC1 731607505 KCQFGVLVKPWAOE-UHFFFAOYSA-N 239.275 -0.411 50 20 BBGD CC(=O)NCC(=O)NNc1cc(C)nc(C)n1 736718235 FIPXGGYGPCYJMK-UHFFFAOYSA-N 237.263 -0.327 50 20 BBGD CCN(C)S(=O)(=O)NNC(=O)C(C)C 746054463 SOOZPBFDHMQTME-UHFFFAOYSA-N 223.298 -0.540 50 20 BBGD COc1cc(C(=O)NNC(=O)C(C)(C)O)on1 768259295 KCQAYSCAMLIPSF-UHFFFAOYSA-N 243.219 -0.785 50 20 BBGD CCn1cc(C(C)=NNC(=O)CO)cn1 776780053 CCQHJBCWNYRBMP-UHFFFAOYSA-N 210.237 -0.265 50 20 BBGD CN(C)c1ccncc1C=NNC(=O)CO 776780821 OLOXOUHEFSXZIL-UHFFFAOYSA-N 222.248 -0.410 50 20 BBGD C[C@@H]1COC(=O)C1=NNC(=O)c1cnn(C)c1 794908703 MNUSGYONZXUHJZ-ZCFIWIBFSA-N 236.231 -0.301 50 20 BBGD Cc1cc(CC(=O)NN(C)[C@H](C)CO)n[nH]1 823947364 WYQZDSNVDADBID-MRVPVSSYSA-N 226.280 -0.396 50 20 BBGD C[C@H](CO)N(C)NC(=O)c1cnsn1 823971445 UHCXMYMKSKNFHB-RXMQYKEDSA-N 216.266 -0.505 50 20 BBGD CC(C)(C)C(=O)NNC(=O)c1ncon1 832825959 MYRFPXCJQQTHDY-UHFFFAOYSA-N 212.209 -0.123 50 20 BBGD COCCN(C)NC(=O)c1c(C)cnn1C 848377858 DUXKQNOZADVHIR-UHFFFAOYSA-N 226.280 -0.048 50 20 BBGD CNC(=S)N(C)NC(=O)C1=COCC1 854925677 KWQRENOBFHWTQK-UHFFFAOYSA-N 215.278 -0.242 50 20 BBGD OB(O)c1ccc(CNCCOCCF)cc1 863891978 INBMAFUVIVWRCC-UHFFFAOYSA-N 241.071 -0.558 50 20 BBGD O=S(=O)(c1ccoc1)N1CC[C@@H](B(O)O)C1 864231614 IPZXXHLSVMQCIJ-SSDOTTSWSA-N 245.065 -0.483 50 20 BBGD Cc1n[nH]cc1C(=O)NNC(=O)[C@@H](C)N(C)C 874442448 PGXAMTGPYFLICY-SSDOTTSWSA-N 239.279 -0.571 50 20 BBGD CCCn1cccc1C=NNC(=O)C(N)=O 918153657 IOKYLRGRCNWBHT-UHFFFAOYSA-N 222.248 -0.167 50 20 BBGD CC(C)CC(=O)NNC(=O)CO[C@H]1CCOC1 1322299577 BMAUAHRDISZPAN-VIFPVBQESA-N 244.291 -0.015 50 20 BBGD COC(=O)N(C)NC(=O)C(=O)NCC(F)F 1323787568 UTJOPZCRJJPYSJ-UHFFFAOYSA-N 239.178 -0.903 50 20 BBGD N[C@@H](CC(F)F)C(=O)NNc1ncccn1 1329252310 HDESNLBUSXMANE-YFKPBYRVSA-N 231.206 -0.098 50 20 BBGD COCCN(C)NC(=O)[C@H]1CC[C@H]1C(=O)O 1593995599 JQGGXDIWWJHHRX-JGVFFNPUSA-N 230.264 -0.293 50 20 BBGD C[C@H]1C(=O)NCCN1S(=O)(=O)CCl 82513405 ZKABMLYKPAQFCJ-YFKPBYRVSA-N 226.685 -0.667 50 20 BBGD C=C(C)[C@H]1OCC[C@H]1C(=O)NNC(=O)NC 278735653 IKFIZFPQJIYRDL-HTQZYQBOSA-N 227.264 -0.072 50 20 BBGD CN=c1[nH]c(C(=O)NN(C)C(N)=O)cs1 393630780 JQSKTBHHVUDXSP-UHFFFAOYSA-N 229.265 -0.738 50 20 BBGD CCOC(=O)NNS(=O)(=O)c1ccnn1C 491074560 BWMLOSAWHHPQMO-UHFFFAOYSA-N 248.264 -0.641 50 20 BBGD CN(C)C(C)(C)CNCc1ccc(B(O)O)o1 585014339 OHPOFOILPIWKRH-UHFFFAOYSA-N 240.112 -0.611 50 20 BBGD C[C@H](O)CCCNCc1ccc(B(O)O)o1 585038658 JGLPERAHXXHYJE-QMMMGPOBSA-N 227.069 -0.790 50 20 BBGD CC(C)C[C@@H](C)OCCC(=O)NCB(O)O 585060512 SDKXMRAFNKDBNQ-SECBINFHSA-N 231.101 -0.044 50 20 BBGD COCCC(=O)NNC(=O)Cc1cccnc1 728850644 XZSXRFIPLQFZDX-UHFFFAOYSA-N 237.259 -0.192 50 20 BBGD CC(=O)NNC(=O)CCCn1cccn1 748829471 GWUWEEYQXXWJFI-UHFFFAOYSA-N 210.237 -0.169 50 20 BBGD CS/C=C\C(=O)NNC(=O)Cc1cc[nH]n1 755277220 POMWDBDTARJRSZ-HYXAFXHYSA-N 240.288 -0.024 50 20 BBGD O=C(Cc1cc[nH]n1)NNC(=O)c1cc[nH]c1 755284743 FNZMJPKRRHMRKB-UHFFFAOYSA-N 233.231 -0.259 50 20 BBGD Cc1nc(C(=O)NN(C)[C@H](C)CO)co1 823935418 RQPRGCGTTONPNQ-ZCFIWIBFSA-N 213.237 -0.060 50 20 BBGD C[C@@H]1OCC[C@H]1C(=O)NN(C)[C@@H](C)CO 823940483 YFEFJFYLJMNPMB-XHNCKOQMSA-N 216.281 -0.245 50 20 BBGD COC(=O)CNC(=O)NN=C[C@@H](OC)C1CC1 853331355 PRICBEBCTJOLNV-MRVPVSSYSA-N 243.263 -0.131 50 20 BBGD CNC(=S)N(C)NC(=O)[C@@H]1CCCN1C=O 854927460 JFEIVUIKCVDGDI-ZETCQYMHSA-N 244.320 -0.926 50 20 BBGD COc1cc(C)nc(N2CC[C@@H](B(O)O)C2)n1 864233662 KYJPAGCJDSMLBK-MRVPVSSYSA-N 237.068 -0.153 50 20 BBGD COCCOCC(=O)NNC(=O)[C@@H]1C[C@@H]1C 869913105 AFLVPRIJAHQYSP-JGVFFNPUSA-N 230.264 -0.547 50 20 BBGD CN(C)CC(=O)NN=Cc1cnc2[nH]cncc1-2 872348092 PFZYIAIXJKYLTF-UHFFFAOYSA-N 246.274 -0.079 50 20 BBGD CCNC(=O)NNC(=O)C1(CN(C)C)CC1 874193789 LSQVBNNLPUASIR-UHFFFAOYSA-N 228.296 -0.322 50 20 BBGD C[C@H](O)CN(C)NC(=O)c1cnn(C)c1 910177700 OKLSKWXQJHEJJS-ZETCQYMHSA-N 212.253 -0.623 50 20 BBGD CNC(=O)C1(C(=O)NNC(=O)NC2CC2)CC1 1116000785 NQZQYCFVWAYDOL-UHFFFAOYSA-N 240.263 -0.995 50 20 BBGD O=C(O)CCCC(=O)N1CC[C@@H](B(O)O)C1 1329291608 FOLAVODUQRIRDA-SSDOTTSWSA-N 229.041 -0.683 50 20 BBGD O=C(O)CCCC(=O)NNc1nc[nH]n1 1601979058 RACAPRIHWWYGEG-UHFFFAOYSA-N 213.197 -0.497 50 20 BBGD CCNC(=O)NNC(=S)NCCCN(C)C 64937060 IZRUKNLFUUPVKO-UHFFFAOYSA-N 247.368 -0.364 50 20 BBGD CN(C)CC(=O)NNC(=O)[C@@H]1C[C@H]1C1CC1 176131295 TVEAZAJGOKIVHS-DTWKUNHWSA-N 225.292 -0.259 50 20 BBGD CC[C@@H](C(=O)NNC(C)=O)N1CCCC1=O 266597547 OZOSNRNCQWMEFK-QMMMGPOBSA-N 227.264 -0.445 50 20 BBGD COC(=O)NNC(=O)[C@@H]1CC[C@H](C(=O)OC)O1 289515895 MCLADWRYLALSAN-NTSWFWBYSA-N 246.219 -0.906 50 20 BBGD C[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)C1 584961197 RDPDTWHNECXHDA-SECBINFHSA-N 233.076 -0.152 50 20 BBGD OB(O)c1ccc(CNC[C@@H](O)C2CCC2)cc1 585044927 XODDGKJSSHETRV-CYBMUJFWSA-N 249.119 -0.383 50 20 BBGD CN1CCN(S(=O)(=O)CCl)[C@@H](CO)C1 699498582 IIHHUOUVAYHGEP-SSDOTTSWSA-N 242.728 -0.879 50 20 BBGD NNC(=O)CNS(=O)(=O)c1cccc(F)c1 731450370 JJKQOEQBWUSKJY-UHFFFAOYSA-N 247.251 -0.906 50 20 BBGD CN(C)CC(=O)NNC(=O)C1(C)CCOCC1 733359614 LDTADFJXYRCCQQ-UHFFFAOYSA-N 243.307 -0.488 50 20 BBGD CCCN(C)CC(=O)NNC(=O)NC1CC1 741212947 UWXICJXKZDSPIN-UHFFFAOYSA-N 228.296 -0.179 50 20 BBGD CN(C)C(=O)NNC(=O)c1ccc2nn[nH]c2c1 746004026 YQTGPZZGOJMCPR-UHFFFAOYSA-N 248.246 -0.126 50 20 BBGD CC(=O)NNC(=O)c1ccc(O)nc1C 749175199 HIHQOEAIBNCPAE-UHFFFAOYSA-N 209.205 -0.123 50 20 BBGD O=C(NNC(=O)c1cnc[nH]1)c1ccccn1 750863135 SITFWNWIRGEOFK-UHFFFAOYSA-N 231.215 -0.121 50 20 BBGD O=C(CO)NNC(=O)Nc1nccs1 755343887 JPEPZBNHZVVDOP-UHFFFAOYSA-N 216.222 -0.712 50 20 BBGD CCS(=O)(=O)CC(C)=NNC(=O)COC 761822192 XZNOZLUQODZVEK-UHFFFAOYSA-N 236.293 -0.440 50 20 BBGD CCNC(=O)N(C)NC(=O)[C@H](C)NC(C)=O 780710001 VSDXJVLNEUZCBT-LURJTMIESA-N 230.268 -0.797 50 20 BBGD COC[C@@H](C)[C@H](C)C(=O)NNC(=O)CO 812543468 HMICMKQOXRRXRY-RQJHMYQMSA-N 218.253 -0.955 50 20 BBGD COCCCOCC(=O)NNc1nc[nH]n1 816632453 JSJIQAFJOGGNNA-UHFFFAOYSA-N 229.240 -0.699 50 20 BBGD O=C(Cc1cccnc1)NNC(=O)[C@H](O)C1CC1 826123600 QSXPIPHNPZMEOD-LLVKDONJSA-N 249.270 -0.458 50 20 BBGD CCCNC(=O)NNC(=O)[C@@H](C)CC(=O)O 829512992 FFDSKAYCBAQRAC-LURJTMIESA-N 231.252 -0.162 50 20 BBGD CC[C@H]1COCC1=NNC(=O)C(=O)NC1CC1 853282547 IPAAFMQLXTZNBT-ZETCQYMHSA-N 239.275 -0.206 50 20 BBGD COC[C@@](C)(O)C(=O)NN[C@@H](C)C(F)(F)F 862311691 RDBZDSNODZNIMT-CAHLUQPWSA-N 244.213 -0.045 50 20 BBGD C[C@@]1(C(=O)NNC(=O)C2CCC2)CCNC1=O 874456143 VOTYPHMWEHDJOM-LLVKDONJSA-N 239.275 -0.540 50 20 BBGD C#CCCCC(=O)NNC(=O)c1ncn(C)n1 887149175 MEQFRQFMSNMTDY-UHFFFAOYSA-N 235.247 -0.620 50 20 BBGD CCNC(=O)NNC(=O)[C@](C)(O)CC 930734808 RSCMGBNXHTYBMN-MRVPVSSYSA-N 203.242 -0.502 50 20 BBGD CC(=NNC(=O)[C@@H]1CCC(=O)N1)c1cnccn1 1261833291 SESBVLDCYJDCOZ-QMMMGPOBSA-N 247.258 -0.405 50 20 BBGD Cn1nncc1NNC(=O)CC1OCCCO1 1324335446 QLXAHMQMFZAXCB-UHFFFAOYSA-N 241.251 -0.589 50 20 BBGD CO[C@@H]1CS(=O)(=O)C[C@H]1NC=C(C#N)C#N 1329277217 NYEVQGYZYRXSMA-RKDXNWHRSA-N 241.272 -0.681 50 20 BBGD C#C[C@H](CCC)NC(=O)NNC(=O)C(=O)OC 1330135335 KLPQPUBXDBXPOF-SSDOTTSWSA-N 241.247 -0.708 50 20 BBGD C[C@H](O)CN(C)NC(=O)[C@@H](C)[C@H]1CCC(=O)N1 1332628784 AHYRPLQGVHNPSO-XHNCKOQMSA-N 243.307 -0.755 50 20 BBGD COC(=O)[C@H]1C[C@@H](C(=O)NN(C)C[C@@H](C)O)C1 1336523338 WNPFVOPZNZXNRS-HLTSFMKQSA-N 244.291 -0.471 50 20 BBGD CO[C@@H](C(=O)O)C(=O)NCCCSC#N 1593907588 HWSSMPIIWNTDJI-ZCFIWIBFSA-N 232.261 -0.193 50 20 BBGD COCCN(CC(C)C)NC(=O)C(=O)O 1594000323 SJCBUCCHAYCHDA-UHFFFAOYSA-N 218.253 -0.293 50 20 BBGD O=C(NNC(=O)C(=O)O)N[C@@H]1CC[C@H]2C[C@@H]2C1 1601553038 RNXRAMRPPHHQGJ-RRKCRQDMSA-N 241.247 -0.410 50 20 BBGD O=C(O)[C@@H]1[C@H]2CN(S(=O)(=O)CCl)C[C@H]21 1602205871 AZTZMTAXOGRSCP-FMCRUOTFSA-N 239.680 -0.225 50 20 BBGD CO[C@H](C(=O)O)C(=O)NN(C)C1CC1 1604435849 ZFKPSUXYBLJDNZ-LURJTMIESA-N 202.210 -0.789 50 20 BBGD NNC(=O)c1cn(-c2ccccc2)nn1 37390108 NFNLCYUEPSLKES-UHFFFAOYSA-N 203.205 -0.129 50 20 BBGD CCOC(=O)NNC(=O)c1cnns1 48608901 MCGWIWAMFQTONR-UHFFFAOYSA-N 216.222 -0.071 50 20 BBGD O=C(Cn1cccn1)NNC(=O)c1ccc[nH]1 302878462 KPYKQTBZXVGSCG-UHFFFAOYSA-N 233.231 -0.328 50 20 BBGD O=C1NC(=O)[C@H]2CN(C(=O)CCCl)C[C@H]12 306882979 ODHFFWGQBULKSE-WDSKDSINSA-N 230.651 -0.654 50 20 BBGD CN(CCC(N)=O)S(=O)(=O)CCCCl 381963522 ICMWDNXARPKXGV-UHFFFAOYSA-N 242.728 -0.248 50 20 BBGD COC(=O)NNC(=O)[C@H](NC(C)=O)C(C)C 490558473 DWMYSNGOLSMPKR-SSDOTTSWSA-N 231.252 -0.466 50 20 BBGD CCO/C=C(/C#N)C(=O)NC[C@H](O)C(=O)OC 490810699 AWKPEICDQVXJMC-UAPHAKCISA-N 242.231 -0.920 50 20 BBGD C[C@H](NCc1ccc(B(O)O)o1)[C@@H](C)CO 585025563 XLKYUCMIGXRYNQ-YUMQZZPRSA-N 227.069 -0.934 50 20 BBGD C[C@H]1OCC[C@H]1NCc1ccc(B(O)O)o1 585031317 CNSGSOQWBWRHPG-VXNVDRBHSA-N 225.053 -0.774 50 20 BBGD CN1CC[C@@H]1CNS(=O)(=O)CCl 710286986 HMRNRNMYXUGRNB-ZCFIWIBFSA-N 212.702 -0.194 50 20 BBGD CNC(=O)NNC(=O)C1(C)COC(C)(C)OC1 767185935 YSZLYRYOPPGBOH-UHFFFAOYSA-N 245.279 -0.264 50 20 BBGD CCOCC(=O)NN=C1C(=O)OC[C@H]1C 794909153 PJMCMXPUDCUMJI-ZCFIWIBFSA-N 214.221 -0.312 50 20 BBGD CN(C)C(=O)NNC(=O)COC(F)F 795821187 AATKPIHDVPVZBC-UHFFFAOYSA-N 211.168 -0.472 50 20 BBGD CC(C)C(=O)NNC(=O)c1ncnn1C 853799446 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O=C(NCB(O)O)[C@H]1COC[C@@H]1c1ccccc1 585063295 WOELZYYJEATOFS-MNOVXSKESA-N 249.075 -0.455 50 20 BBGD Cc1nonc1C(=O)NNC(=O)NCC1CC1 746166886 JLUUALFFOPGUSH-UHFFFAOYSA-N 239.235 -0.268 50 20 BBGD CC(C)C(=O)NNC(=O)C(=O)N1CCCC1 748241310 VNTLFHFFRWYUDN-UHFFFAOYSA-N 227.264 -0.588 50 20 BBGD CCOCCNC(=S)NNC(=O)NC 751004521 KNFIPGCZXAXHIX-UHFFFAOYSA-N 220.298 -0.669 50 20 BBGD Cn1nncc1C=NNC(=O)c1cccnc1 751128208 ZQUHFJIMZRZDJZ-UHFFFAOYSA-N 230.231 -0.026 50 20 BBGD CNC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 770706408 PUCOSFBWTMTFDR-PHDIDXHHSA-N 201.226 -0.628 50 20 BBGD O=C(CO)NN=Cc1cnn(CC(F)F)c1 814226157 PUTQTTRFVQRVNY-UHFFFAOYSA-N 232.190 -0.409 50 20 BBGD C=C[C@@](C)(O)C(=O)NNC(=O)NCCC 823951760 UGLYIZOWLDNHQC-SECBINFHSA-N 215.253 -0.336 50 20 BBGD CC[C@H](NC(C)=O)C(=O)NNC(=O)C1CCC1 865701342 LMNXQPQVHACSEQ-VIFPVBQESA-N 241.291 -0.151 50 20 BBGD CCNC(=O)NNC(=O)CCCC(=O)OC 874193737 BSUJKDIJZCDTLP-UHFFFAOYSA-N 231.252 -0.320 50 20 BBGD C[C@@H](O)CN(C)NC(=O)c1nc[nH]c2nccc1-2 910138508 JPYLIKOTSSPIJO-SSDOTTSWSA-N 249.274 -0.133 50 20 BBGD O=C(CCCCO)NNC(=O)C1CC1 1116455772 ASMLXHXJRBFUTC-UHFFFAOYSA-N 200.238 -0.294 50 20 BBGD O=C(C[C@@H]1CC(=O)N1)NNc1ccc(F)cn1 1119057390 JIYJYEIKGMJBOG-ZETCQYMHSA-N 238.222 -0.058 50 20 BBGD COC(=O)C(=O)NN=Cc1ccccn1 1318912845 VWQGBMLDXOZXHV-UHFFFAOYSA-N 207.189 -0.295 50 20 BBGD CCNC(=O)N(C)NC(=O)c1cnnn1C 1322590845 WUSORYIAUGLJOW-UHFFFAOYSA-N 226.240 -0.879 50 20 BBGD Cn1cncc1C(=O)NNC(=O)NCC1CC1 1343689581 SMVDLHWROOGDIA-UHFFFAOYSA-N 237.263 -0.226 50 20 BBGD CC(C)C(=O)NNC(=O)NCc1ncccn1 1348848002 VDRRQGGARBQELU-UHFFFAOYSA-N 237.263 -0.037 50 20 BBGD CNC(=O)NNC(=O)[C@@]12CCC[C@@H]1NCC2 1578557414 GVZFCUCNDKTWSX-OIBJUYFYSA-N 226.280 -0.521 50 20 BBGD O=C(CN1CCSC1=O)NNC(=O)C1CC1 26969020 JMADWWMUIBZXQN-UHFFFAOYSA-N 243.288 -0.287 50 20 BBGD CC(C)(O)CNS(=O)(=O)CCl 83466746 XBZFTBWMNKTWGN-UHFFFAOYSA-N 201.675 -0.127 50 20 BBGD CN(C)CC(=O)NNC(=O)C(=O)c1ccccc1 166167625 ZHBOXZVWCWFBJQ-UHFFFAOYSA-N 249.270 -0.422 50 20 BBGD O=C(NCB(O)O)c1ccc([N+](=O)[O-])c(O)c1 585061270 OQIVHVTXMZGGSF-UHFFFAOYSA-N 239.980 -0.958 50 20 BBGD C[C@@H]1O[C@H](C)[C@@H](C(=O)NCB(O)O)[C@H]1C 585062635 LHTWGWYYJGTEKM-HSNKUXOKSA-N 215.058 -0.826 50 20 BBGD O=C1CC[C@@H](C(=O)NNC(=O)c2ccccn2)N1 732257193 FTBYDMCBMKMXAK-QMMMGPOBSA-N 248.242 -0.879 50 20 BBGD CC(C)(NC(=O)O)C(=O)NNC(=O)NC1CC1 736337011 KYILJGJNBRLEIE-UHFFFAOYSA-N 244.251 -0.475 50 20 BBGD Cn1cc(C=NNC(=O)c2cccnc2)nn1 755465168 FPBRAVFGXDCKJU-UHFFFAOYSA-N 230.231 -0.026 50 20 BBGD COCC(=O)NNC(=O)N=c1cc[nH]c(C)c1 757808128 QGUHVJDZBVDNSJ-UHFFFAOYSA-N 238.247 -0.389 50 20 BBGD CCNC(=O)N(C)NS(=O)(=O)C1CC1 768494116 ITVDGKPOHCNJDI-UHFFFAOYSA-N 221.282 -0.356 50 20 BBGD CN1C(=O)CC[C@@H]1C(=O)NNC(=O)C1CCC1 806834441 AHMOBCGUJHNIIJ-MRVPVSSYSA-N 239.275 -0.445 50 20 BBGD CCCNC(=O)NNC(=O)C[C@@H]1CCC(=O)N1 823950338 IHQJTXFAVSMVLH-ZETCQYMHSA-N 242.279 -0.605 50 20 BBGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)O 833438561 KGQVDFPKOWQABA-UHFFFAOYSA-N 233.224 -0.190 50 20 BBGD NC(=O)[C@@H]1CC[C@@H]1C(=O)NNC(=O)C1CCC1 847482385 LVSMOTKOSJSQJP-SFYZADRCSA-N 239.275 -0.555 50 20 BBGD C=CCNC(=S)NNC(=O)C1(N(C)C)CC1 854185745 ISVDAZRJLMLATR-UHFFFAOYSA-N 242.348 -0.238 50 20 BBGD COC[C@H](OC)C(=O)NN(C)C(=O)OC 854409047 GDLOGZCMUIBYRY-LURJTMIESA-N 220.225 -0.623 50 20 BBGD COCCC(=O)NNC(=O)c1cc[nH]n1 855358223 CBAWISYYYLNNQE-UHFFFAOYSA-N 212.209 -0.793 50 20 BBGD COCCN(C)NC(=O)c1cnc(C)n1C 908114272 DKTRYCNVFOPKIN-UHFFFAOYSA-N 226.280 -0.048 50 20 BBGD C[C@H](O)CN(C)NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 910150725 VBMFKIQPDQEWDZ-JLIMGVALSA-N 228.292 -0.102 50 20 BBGD C[C@H](O)CN(C)NC(=O)C1(C)COC1 910153195 XPTOFLVPWXZFKS-ZETCQYMHSA-N 202.254 -0.633 50 20 BBGD C[C@@H](CO)N(C)NC(=O)[C@@H]1CCCC(=O)N1C 911444210 CELPJXVHICUQBY-IUCAKERBSA-N 243.307 -0.659 50 20 BBGD CNC(=O)NNC(=O)[C@H]1C[C@]12CCOC2 1254888499 FQWVURGLSAULCP-MUWHJKNJSA-N 213.237 -0.627 50 20 BBGD CC(=O)NNC(=O)c1ccc(-n2ccnc2)nn1 1325099446 HYZOLFQHPQFPGH-UHFFFAOYSA-N 246.230 -0.557 50 20 BBGD O=C1CCC[C@H](C(=O)NNc2cccnn2)N1 1325157579 KIVMIBGPBYFCAS-SSDOTTSWSA-N 235.247 -0.412 50 20 BBGD CCN(CCO)NC(=O)c1nnn(C)c1C 1329807462 SYLVKFZHXMRXLV-UHFFFAOYSA-N 227.268 -0.917 50 20 BBGD C[C@H](O)CN(C)NC(=O)CCc1cnc[nH]1 1332629243 HWYUOBPSUVALQF-QMMMGPOBSA-N 226.280 -0.314 50 20 BBGD CC(C)(O)C(=O)NNC(=O)[C@@H]1C[C@@H]1F 1348331033 IAGQTYBPNQSXRW-UHNVWZDZSA-N 204.201 -0.737 50 20 BBGD O=C(c1cccnc1O)N1CC[C@@H](B(O)O)C1 1351729997 SNXOIFZMVPVDAM-SSDOTTSWSA-N 236.036 -0.524 50 20 BBGD CCN(CCO)NC(=O)[C@@H]1CCCN1 1573777058 JDGXODKDEFZNQD-QMMMGPOBSA-N 201.270 -0.916 50 20 BBGD CC1=NO[C@](C)(C(=O)NNC(=O)[C@H]2CCN2)C1 1576561463 CABJMPIPRVBOBG-XCBNKYQSSA-N 240.263 -0.949 50 20 BBGD COc1ccc(C(=O)NNC(=O)[C@@H](C)N)cc1 49828526 JTNIRUNGHYCZDY-SSDOTTSWSA-N 237.259 -0.197 50 20 BBGD NNC(=O)COc1ccc2c(c1)CCC(=O)N2 70186225 BZJBXWHALKXVPC-UHFFFAOYSA-N 235.243 -0.060 50 20 BBGD O=S(=O)(CCl)NCC(F)(F)CO 228799565 HNJRWIISPWKPSE-UHFFFAOYSA-N 223.628 -0.270 50 20 BBGD O=C1OCC[C@@H]1NS(=O)(=O)CCl 236034723 AXTPYDSCVKPRBK-BYPYZUCNSA-N 213.642 -0.582 50 20 BBGD C/C=C(\C)C(=O)NNC(=O)C(C)(C)O 277952993 LRTWGGMPCBIVMD-AATRIKPKSA-N 200.238 -0.129 50 20 BBGD C[C@H]1CC[C@@H](C(=O)NNC(=O)c2cnc[nH]2)O1 293790938 CBMWAOYASANDFK-XPUUQOCRSA-N 238.247 -0.262 50 20 BBGD CC1(C)[C@H](O)C[C@H]1NCc1cccc(B(O)O)c1 585037271 XLXSJTOLRHQPGF-VXGBXAGGSA-N 249.119 -0.385 50 20 BBGD COCCONC(=O)NNC(=O)C(C)C 789348085 WQSDYAIVMBNXLY-UHFFFAOYSA-N 219.241 -0.449 50 20 BBGD CN(NC(=O)[C@@]1(O)CCSC1)C1CC1 819650669 VCZWAHAZWSNFIN-SECBINFHSA-N 216.306 -0.020 50 20 BBGD C=C[C@H](O)C(=O)NNC(=O)C(C)(C)C 822245105 RVPSVKPABPRKIB-LURJTMIESA-N 200.238 -0.273 50 20 BBGD COCCN(C)NC(=O)c1cnc2cccnn12 846122025 HVZKBWSZLCDRNL-UHFFFAOYSA-N 249.274 -0.048 50 20 BBGD NNC(=O)[C@@]1(c2ccccc2)CNC(=O)C1 852874894 VSQDZTZEFUBPHI-LLVKDONJSA-N 219.244 -0.566 50 20 BBGD CNC(=S)N(C)NC(=O)COC(F)F 854921730 YNRPCVBMYRFADB-UHFFFAOYSA-N 227.236 -0.307 50 20 BBGD COC[C@H](OC)C(=O)NNC(=O)OC 856757829 UIWJEZDEKMIUOV-YFKPBYRVSA-N 206.198 -0.965 50 20 BBGD C[C@H](CO)COc1ccc(B(O)O)cc1 865373236 LNVYCFJWRZAPOO-MRVPVSSYSA-N 210.038 -0.626 50 20 BBGD CC1(C)[C@@H](C(=O)O)[C@H]1C(=O)NNC(=O)C1CC1 872831848 VUIZQOMVSFGEFE-NKWVEPMBSA-N 240.259 -0.099 50 20 BBGD Cc1nn(C)c(C=NNC(=O)CO)c1Cl 905458698 LQYKNKPYKASIIL-UHFFFAOYSA-N 230.655 -0.176 50 20 BBGD CC[C@@H](O)[C@@H](C)C(=O)NN(CC)CCO 911443793 MZQGSSKESAHWFS-RKDXNWHRSA-N 218.297 -0.261 50 20 BBGD C#CCSCC(=O)NN(C)[C@H](C)CO 911444786 JWXHEQJDAURZAJ-MRVPVSSYSA-N 216.306 -0.303 50 20 BBGD Cn1cc(/C=C(/C#N)C(=O)N2CCOCN2)cn1 928946361 LZIKPVSFFLVZIE-WMZJFQQLSA-N 247.258 -0.352 50 20 BBGD CC[C@@H](CO)NCC(=O)NNC(=O)C(C)C 931774291 WYGYABSEGOTRRM-QMMMGPOBSA-N 231.296 -0.850 50 20 BBGD O=C(NNC(=O)C1(O)CCOCC1)NC1CC1 1321347861 YHWKGHUVRDTKJV-UHFFFAOYSA-N 243.263 -0.979 50 20 BBGD COc1ccnc(NNC(=O)c2cnnn2C)n1 1344550170 VCXYTGNXZPSXPL-UHFFFAOYSA-N 249.234 -0.629 50 20 BBGD COCCCC(=O)N1CC[C@@H](B(O)O)C1 1351730333 WRJDAWITMXXECB-MRVPVSSYSA-N 215.058 -0.512 50 20 BBGD CN(C)C(=O)NNC(=O)c1cnc(Cl)n1C 1352205287 ZFRCLCNTDYXKCT-UHFFFAOYSA-N 245.670 -0.011 50 20 BBGD C[C@@H](CO)N(C)NC(=O)C12CC(C(=O)O)(C1)C2 1592761365 AHKGULLCKCJSRH-ARTQYDKTSA-N 242.275 -0.415 50 20 BBGD Cc1nnsc1C=NNC(=O)C(=O)O 1600802596 JNSXGNOTDCCTFH-UHFFFAOYSA-N 214.206 -0.619 50 20 BBGD CO[C@@H](C)C(=O)NNC(=O)c1ccncc1 193648452 NIYAYDPBZDBFBS-ZETCQYMHSA-N 223.232 -0.123 50 20 BBGD OB(O)c1ccc(CNC[C@H]2CCOC2)o1 585017592 DIMSBXWDRXZREG-MRVPVSSYSA-N 225.053 -0.915 50 20 BBGD CCS[C@@H](C(=O)NCB(O)O)C(C)C 585059211 DMSBKAVSEYMFQH-SSDOTTSWSA-N 219.115 -0.108 50 20 BBGD CCO[C@@H]1CC(=NNC(=O)C(N)=O)C12CCC2 741160159 MFYLWNFNRPRDOA-MRVPVSSYSA-N 239.275 -0.077 50 20 BBGD C[C@H]1CC(=NNC(=O)C(=O)NC2CC2)CN1C 761805047 WPOZCBWKOIBWSG-ZETCQYMHSA-N 238.291 -0.539 50 20 BBGD CC(=O)NC(C)(C)C(=O)NNc1cnccn1 775281882 ZBXYGSRGRFSBNI-UHFFFAOYSA-N 237.263 -0.166 50 20 BBGD CCC(=O)NNS(=O)(=O)C[C@@H](CC)OC 817348804 SJBMORPEJRRBAJ-SSDOTTSWSA-N 238.309 -0.228 50 20 BBGD CN(NC(=O)CCS(=O)(=O)N(C)C)C1CC1 819650621 UOODHOFVAYMAPT-UHFFFAOYSA-N 249.336 -0.607 50 20 BBGD C[C@@H](CO)N(C)NC(=O)c1cnn(C)c1 823983642 YLYZRSJRMVKCEH-ZETCQYMHSA-N 212.253 -0.623 50 20 BBGD C[C@@H](CO)N(C)NC(=O)Cn1ccccc1=O 823988998 ZBNGQCUNTJGVJU-VIFPVBQESA-N 239.275 -0.808 50 20 BBGD CCNC(=O)N(C)NC(=O)Cc1ncc[nH]1 831854411 VJNCYNLIMINHRU-UHFFFAOYSA-N 225.252 -0.355 50 20 BBGD CCCNC(=O)NNC(=O)[C@H]1CC[C@@H]1C(N)=O 847392994 CBNASKPFSNEBRF-BQBZGAKWSA-N 242.279 -0.762 50 20 BBGD CC(C)N(C)CC(=O)NNC(=O)c1cc[nH]n1 855359022 BUJDGNHHZVKTFH-UHFFFAOYSA-N 239.279 -0.489 50 20 BBGD C[C@@H](O)C(=O)NNc1ncc(Cl)cn1 857729482 YYDHDPUZJPUOBL-SCSAIBSYSA-N 216.628 -0.046 50 20 BBGD CC[C@H](C)C(=O)NNC(=O)[C@H]1CCC(=O)N1 862450774 ASKFZDWJTSUCNA-NKWVEPMBSA-N 227.264 -0.542 50 20 BBGD O=C(NNC(=O)[C@H]1C[C@@H](O)C1)c1cccnc1 873739129 SXRVNROATQSLBS-DTORHVGOSA-N 235.243 -0.387 50 20 BBGD CCN(C)C(=O)CNC(=O)NN(C)C(=O)OC 875509750 YZLTWSTYCPTJMR-UHFFFAOYSA-N 246.267 -0.623 50 20 BBGD COCCN(C)NC(=O)Nc1nc(C)no1 879132531 YJGPFSGACWYDMN-UHFFFAOYSA-N 229.240 -0.007 50 20 BBGD O=C(O)[C@H]1C[C@@H](NCc2ccc(B(O)O)cc2)C1 901616146 XEQQSFYTBXIYRT-JGZJWPJOSA-N 249.075 -0.681 50 20 BBGD COC(=O)C(=O)NN=Cc1cnc(C)n1C 1118589638 NQKZQSYUIQNUML-UHFFFAOYSA-N 224.220 -0.648 50 20 BBGD CN(C)C(=O)NNC(=O)c1ccnn1C 1251423716 DIIKTQVQQJLKHG-UHFFFAOYSA-N 211.225 -0.664 50 20 BBGD CC(=O)NNC(=O)/C=C\c1cnn(C)c1 1326412254 HYDUYTMZRLNMQU-ARJAWSKDSA-N 208.221 -0.399 50 20 BBGD O=C1C[C@H](C(=O)NNC(=O)CC2CC2)CCN1 1330483639 LBVCYRCGYDSIBB-MRVPVSSYSA-N 239.275 -0.540 50 20 BBGD COC(=O)[C@H]1C[C@@H](C(=O)NN(C)[C@H](C)CO)C1 1358320706 NLVHXLXDXBNULM-HLTSFMKQSA-N 244.291 -0.471 50 20 BBGD CNC(=O)NNC(=O)c1ccc(N)cn1 1578557695 MZSOJQGHXGPMTH-UHFFFAOYSA-N 209.209 -0.762 50 20 BBGD CC(=NNC(=O)C(N)=O)c1ccc(O)cc1 245284933 UYWHDDOCMWSKLP-UHFFFAOYSA-N 221.216 -0.282 50 20 BBGD NNC(=O)[C@]12CCC(=O)N1CCS2 307402865 AXTNKXVMXRIVDX-SSDOTTSWSA-N 201.251 -0.958 50 20 BBGD C#CCN(CC)CC(=O)NNC(=O)C1CC1 490865820 IDQUOZXNAPIBCT-UHFFFAOYSA-N 223.276 -0.501 50 20 BBGD Cn1cc(C(=O)NNC(=O)C(C)(C)C#N)cn1 735444190 GKJONLXLBPXVFX-UHFFFAOYSA-N 235.247 -0.269 50 20 BBGD CN(C)CC(=O)NN=Cc1cnc2cnccn12 746371235 WAGFBOYMNFIHOZ-UHFFFAOYSA-N 246.274 -0.259 50 20 BBGD NC(=O)C(=O)NN=Cc1cc(F)ccc1O 755481567 LZPWYAJLXXLIEX-UHFFFAOYSA-N 225.179 -0.533 50 20 BBGD CCOC(=O)/C(C#N)=C\NCc1nnn(C)n1 775742759 QVZNZPYWHUQDJU-ALCCZGGFSA-N 236.235 -0.730 50 20 BBGD CC(C)NC(=O)NNC(=O)Cc1ccn(C)n1 782609517 UWCVTDIBBCRNHI-UHFFFAOYSA-N 239.279 -0.299 50 20 BBGD CC(C)C[C@@H](C(N)=O)C(=O)NN(C)[C@@H](C)CO 823916953 BSEHBBUTKIFOJE-IUCAKERBSA-N 245.323 -0.522 50 20 BBGD COc1cc(CCC(=O)NN(C)C(N)=O)on1 831518737 BPRNBXNODQDWGJ-UHFFFAOYSA-N 242.235 -0.343 50 20 BBGD C[C@H](O)CN(C)NC(=O)c1cn(C2CC2)nn1 910140378 QDTLPYSYEZLUKX-ZETCQYMHSA-N 239.279 -0.430 50 20 BBGD Cc1cc(C=NNC(=O)CCO)ncn1 1117697362 BMUPCZDGBVWKHG-UHFFFAOYSA-N 208.221 -0.382 50 20 BBGD CS(=O)(=O)CC(=O)NNc1ncncc1F 1117766839 TVSFDHDJISAWAW-UHFFFAOYSA-N 248.239 -0.897 50 20 BBGD Cn1ncc(C2CC2)c1C=NNC(=O)C(N)=O 1328519704 UKKXVKFQZDYLQM-UHFFFAOYSA-N 235.247 -0.767 50 20 BBGD C[C@H](C(=O)NNc1cnnn1C)N(C)C 1349709102 GYBPXAFRIHCCEP-ZCFIWIBFSA-N 212.257 -0.792 50 20 BBGD C[C@@]1(C(=O)NCCCSC#N)C[C@@H](O)CN1 1573598491 YSCKVHVIMIUAKO-SCZZXKLOSA-N 243.332 -0.180 50 20 BBGD C[C@@H](O)CN(C)NC(=O)[C@@H]1CC[C@H]1C(=O)O 1589151824 CDZSDWSLYZIFJU-BWZBUEFSSA-N 230.264 -0.559 50 20 BBGD C#CCCCC(=O)NNC(=O)[C@@H](OC)C(=O)O 1602675427 VPBYLSMFKCARHA-MRVPVSSYSA-N 242.231 -0.963 50 20 BBGD CC(C)(C)[C@H](C(=O)O)C(=O)NNc1nc[nH]n1 1602853105 MIJZSWQORFCYGE-YFKPBYRVSA-N 241.251 -0.005 50 20 BBGD C=CCNC(=S)NNC(=O)[C@H]1CCOC1 66959527 MYSQSSCJEFQFLS-ZETCQYMHSA-N 229.305 -0.296 50 20 BBGD C=CCNC(=S)NNC(=O)CCOC 170738133 BLUFNTPNOSTFNQ-UHFFFAOYSA-N 217.294 -0.296 50 20 BBGD CC(C)CC(=O)NNC(=O)CN1CCCC1=O 279040177 XBQWHMBVRDYDBT-UHFFFAOYSA-N 241.291 -0.198 50 20 BBGD C=CCNC(=S)NNC(=O)C1(O)CCCC1 280886169 CSOCYLVAPWEKQM-UHFFFAOYSA-N 243.332 -0.027 50 20 BBGD CC(C)[C@@H](O)C(=O)NNc1cnccn1 286138383 QZGHBUNIJDTQHT-MRVPVSSYSA-N 210.237 -0.063 50 20 BBGD COC(=O)NCCC(=O)NNC(=O)NC1CC1 491266648 UJHXOODOQCNRIB-UHFFFAOYSA-N 244.251 -0.775 50 20 BBGD C[C@H](NCc1cccc(B(O)O)c1)c1cn[nH]c1 585033342 BFIQPHCUSYNXDT-VIFPVBQESA-N 245.091 -0.060 50 20 BBGD CCNC(=S)NNC(=O)[C@@H](C)OCCOC 733947972 LVYKXZMWFASZLA-SSDOTTSWSA-N 249.336 -0.447 50 20 BBGD Cc1ocnc1C(=O)NNC(=O)c1cnn(C)c1 735444201 GMVTVINFVRRVPT-UHFFFAOYSA-N 249.230 -0.209 50 20 BBGD C=CCOCC(=O)NNC(=O)c1cnn(C)c1 735444603 MWONLUKYJIHVQZ-UHFFFAOYSA-N 238.247 -0.616 50 20 BBGD CC(C)CC(=O)NNC(=O)[C@@H]1CCNC(=O)C1 760334468 IWERFZFRTBNQRI-MRVPVSSYSA-N 241.291 -0.294 50 20 BBGD CCNC(=O)NNC(=O)[C@@H]1C[C@]12CCOC2 763750932 UAIHTRDJVDULRI-XVKPBYJWSA-N 227.264 -0.237 50 20 BBGD Cn1nccc1NC(=O)NNC(=O)C1CC1 775754462 CKGWNIRDGNOEDW-UHFFFAOYSA-N 223.236 -0.017 50 20 BBGD CN(NC(=O)COCc1cccnc1)C(N)=O 807180214 BBPLWSDTQFDIMM-UHFFFAOYSA-N 238.247 -0.360 50 20 BBGD CCN(CCO)NC(=O)C(C)(C)NC(C)=O 823856713 YCMNAIMLUYTXRO-UHFFFAOYSA-N 231.296 -0.754 50 20 BBGD O=C(CO)NNC(=O)[C@H]1CCc2ccccc2C1 846636704 PMFQHJHMJKRPHR-NSHDSACASA-N 248.282 -0.069 50 20 BBGD CCOC(C)(OCC)C(=O)NNC(=O)[C@H](C)O 854386634 RBJWGPRHBKIWQM-ZETCQYMHSA-N 248.279 -0.696 50 20 BBGD COCCCNC(=O)NNC(=O)C1CSC1 865016747 RQNQIUWSLDYIFH-UHFFFAOYSA-N 247.320 -0.284 50 20 BBGD COC(=O)CC(=O)NNc1cnccn1 907477326 OGLBSZDGNLFPKQ-UHFFFAOYSA-N 210.193 -0.517 50 20 BBGD Cc1cc(C(=O)NN(C)C[C@@H](C)O)ncn1 910160017 FEIJLKSKOYRDQC-MRVPVSSYSA-N 224.264 -0.258 50 20 BBGD CCNC(=O)N(C)NC(=O)Cc1nnc(C)o1 1117709279 BTKINNPOWKLLLQ-UHFFFAOYSA-N 241.251 -0.387 50 20 BBGD C#CCCCC(=O)NNC(=O)Cc1cnc[nH]1 1262345580 QZFLVFPVYQEVLG-UHFFFAOYSA-N 234.259 -0.097 50 20 BBGD CNC(=O)NNC(=O)CC[C@]1(C)CCC(=O)N1 1319729113 JFKAREWNIATNGA-JTQLQIEISA-N 242.279 -0.605 50 20 BBGD OB(O)[C@@H]1CCN(c2cncc3ncnn23)C1 1329293611 RFVKPUQCQSVKRK-SSDOTTSWSA-N 233.040 -0.823 50 20 BBGD CC[C@@H]1C[C@H]1C(=O)NNC(=O)NCCN 1578227128 SCHMHQGECRFMPQ-RNFRBKRXSA-N 214.269 -0.678 50 20 BBGD C=C(CCC(=O)O)C(=O)NN(C)C(=S)NC 1588630582 RZIWPWKEGAFLEI-UHFFFAOYSA-N 245.304 -0.125 50 20 BBGD COCC#CC(=O)NNc1ncccc1C(=O)O 1593950827 HDPJTNAZPUJMBJ-UHFFFAOYSA-N 249.226 -0.127 50 20 BBGD C[C@@H](C(=O)O)C(=O)NNC(=O)c1ccoc1 1602805389 SQZCUVBUKRQDMZ-RXMQYKEDSA-N 226.188 -0.239 50 20 BBGD C[C@@H](NCc1ccccc1B(O)O)[C@H]1CCOC1 585026205 DBHGKDXOHNXDKI-PWSUYJOCSA-N 249.119 -0.119 50 20 BBGD CC(C)(C)C(=O)NNC(=O)[C@H]1CCC(=O)N1 729840754 ZQRHGLXPRXJQSB-ZCFIWIBFSA-N 227.264 -0.542 50 20 BBGD O=C(CC1CC1)NNC(=O)N1CCOCC1 745985896 BBCXVFDCRZXYBS-UHFFFAOYSA-N 227.264 -0.141 50 20 BBGD N#CC(C#N)=CNNC(=O)C(=O)N1CCCC1 748207623 JAURGCALPFHFPX-UHFFFAOYSA-N 233.231 -0.839 50 20 BBGD CC(C)(O)C(=O)NNC(=O)NC1CC1 756813131 TVQAXMNCPQJZJI-UHFFFAOYSA-N 201.226 -0.750 50 20 BBGD CC(C)(O)C(=O)NNC(=O)C1(C)CCOCC1 768255496 KQNYZJNLSFPNKS-UHFFFAOYSA-N 244.291 -0.279 50 20 BBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)CC 771888911 IKYLJGSYVVPEHH-ZCFIWIBFSA-N 216.237 -0.115 50 20 BBGD COc1nccnc1NNC(=O)[C@H]1C[C@@H](O)C1 823670157 WETOGYKNZGGGQJ-KNVOCYPGSA-N 238.247 -0.301 50 20 BBGD CCCCNC(=O)NNC(=O)[C@H]1CCNC1=O 823763175 PYOFYBNBRTXSEA-ZETCQYMHSA-N 242.279 -0.747 50 20 BBGD CCN(CCO)NC(=O)[C@H]1CCO[C@H]1C 823869154 BCWZEPAXVDNKDE-IUCAKERBSA-N 216.281 -0.243 50 20 BBGD O=C(CCCF)NNC(=O)N1CCOCC1 824621398 PCGAOJWQLWHPTQ-UHFFFAOYSA-N 233.243 -0.191 50 20 BBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)C1CC(=O)C1 843977073 FMSZNYCRGAOPOX-HZGVNTEJSA-N 240.259 -0.462 50 20 BBGD CCCNC(=O)NNC(=O)[C@@H]1CC[C@H]1C(N)=O 847392998 CBNASKPFSNEBRF-RNFRBKRXSA-N 242.279 -0.762 50 20 BBGD O=C(C[C@@H]1CCCO1)NNC(=O)c1cn[nH]c1 862474833 QIVHOGWYTJMPHY-QMMMGPOBSA-N 238.247 -0.260 50 20 BBGD COC/C=C\C(=O)NNC(=O)[C@H]1CCCCO1 868619155 INXLSRSCHAHLRI-XTULLQBASA-N 242.275 -0.095 50 20 BBGD CO[C@@]1(C(=O)NNC(=O)N(C)C)CCSC1 900427221 HDFJJJZAFFEZBF-VIFPVBQESA-N 247.320 -0.189 50 20 BBGD C[C@H](O)CN(C)NC(=O)[C@H](O)C1CC1 910157620 RRKPBLLJGVKYSC-POYBYMJQSA-N 202.254 -0.899 50 20 BBGD CC(=NNC(=O)CCO)c1ccc(O)nn1 1320813989 CXUMHEMOWCHDJR-UHFFFAOYSA-N 224.220 -0.595 50 20 BBGD COC(=O)C(=O)NN=C(C)Cn1cccn1 1324202726 VQUFNJMIMMQHCF-UHFFFAOYSA-N 224.220 -0.452 50 20 BBGD Cc1cnn(C)c1C=NNC(=O)C(=O)NC1CC1 1327844590 ZYZSMHAAHRUZLU-UHFFFAOYSA-N 249.274 -0.543 50 20 BBGD C[C@@H]1OCC[C@@H]1C(=O)NNc1cnnn1C 1327873937 LNOPIGQCQJHWSZ-BQBZGAKWSA-N 225.252 -0.317 50 20 BBGD CNC(=O)NNC(=O)[C@@H]1[C@@H](C)C1(F)F 1520824084 FSNSNYYTDXZAPZ-DMTCNVIQSA-N 207.180 -0.152 50 20 BBGD C[C@@H](O)[C@H](N)C(=O)N1CC=C(C#N)CC1 1579417147 SCSJFOHGQAKDHM-APPZFPTMSA-N 209.249 -0.623 50 20 BBGD C=C[C@H](NNC(=O)[C@H]1CCO[C@H]1C)C(=O)O 1609272417 PPZFWYOLOKZFSZ-FXQIFTODSA-N 228.248 -0.329 50 20 BBGD Cc1nn(C)c2ncc(C(=O)NN)cc12 37389403 VBEDNYAZEHYOQK-UHFFFAOYSA-N 205.221 -0.120 50 20 BBGD CCC[C@H](C)C(=O)NNC(=O)C(=O)NC1CC1 69638372 HDCDEEGAGQVRRR-ZETCQYMHSA-N 241.291 -0.151 50 20 BBGD CS[C@@H](C)C(=O)NNC(=O)CN(C)C 75653547 NJPNVGJRHADMRO-LURJTMIESA-N 219.310 -0.553 50 20 BBGD O=C(NCB(O)O)c1cccc(-c2nc[nH]n2)c1 585062024 BQIDLNCBPZFYJY-UHFFFAOYSA-N 246.035 -0.787 50 20 BBGD COCCOCCC(=O)NNC(=O)NC(C)C 745135993 OQEKNTCYQBRYIU-UHFFFAOYSA-N 247.295 -0.222 50 20 BBGD C[C@@H]1CCCC[C@@H]1OCC(=O)NNC(=O)CO 753439225 WKUXVYIAKKQKBR-BDAKNGLRSA-N 244.291 -0.279 50 20 BBGD O=C(NNC(=O)[C@@H]1CCCO1)c1ccnnc1 756753477 KVMJIRPVCJFBBW-QMMMGPOBSA-N 236.231 -0.583 50 20 BBGD O=C(CO)NNC(=O)C1(F)CCCC1 776188989 VVPDQZFEWMBPIR-UHFFFAOYSA-N 204.201 -0.592 50 20 BBGD O=C(Cc1cc[nH]n1)NN=c1cc[nH]cc1 780760923 DQZXWOYSFKQSPR-UHFFFAOYSA-N 217.232 -0.088 50 20 BBGD CN(C)[C@H]1CCCC(=NNC(=O)CO)C1 788437515 AWODNCVICGKQNB-VIFPVBQESA-N 213.281 -0.045 50 20 BBGD C[C@H]1C[C@@H](C)O[C@@H]1C(=O)NNC(=O)CN(C)C 800690419 ULNCCQLZUFHCJS-XKSSXDPKSA-N 243.307 -0.491 50 20 BBGD O=C(NN=c1cc[nH]cc1)[C@H]1C[C@@H](O)C1 821788074 FEYKPNMRFITDQD-OTSSQURYSA-N 207.233 -0.283 50 20 BBGD CCN(CCO)NC(=O)[C@H]1CCCCO1 823869459 KCPKOGDKPZXNIX-SECBINFHSA-N 216.281 -0.099 50 20 BBGD CCN(CCO)NC(=O)[C@@H]1C[C@]12CCOC2 823873518 CEGBWSVLLWCCNY-ONGXEEELSA-N 228.292 -0.242 50 20 BBGD C[C@@H]1NCC[C@H]1C(=O)NNc1ncccn1 826726423 QNVJGUKLZKGUDN-JGVFFNPUSA-N 221.264 -0.082 50 20 BBGD CCC(=O)NNC(=O)[C@H](C)N1CC[C@H](NC)C1 843344760 VSVWHYGADZDMLR-IUCAKERBSA-N 242.323 -0.774 50 20 BBGD O=C(NNC(=O)C1CC1)c1cnc2nccn2c1 864444694 HXASEYAEZUADJL-UHFFFAOYSA-N 245.242 -0.100 50 20 BBGD COCCN(C)NC(=O)Nc1ncn(C)n1 879658266 YFAILJZJDUYUGT-UHFFFAOYSA-N 228.256 -0.570 50 20 BBGD C#CCCCC(=O)NNC(=O)[C@H](C)N(C)C 887145787 RJICAYDOSCPQNO-VIFPVBQESA-N 225.292 -0.113 50 20 BBGD Cn1cc(/C=C(/C#N)C(=O)N2CC[C@@H]2CO)cn1 889154809 QSFIDQUVCWNQAO-NEOSZVFXSA-N 246.270 -0.080 50 20 BBGD CC[C@@H](CO)C(=O)NN(C)CCOC 908114708 IZQZDNISRWSQNY-QMMMGPOBSA-N 204.270 -0.386 50 20 BBGD CCN(CCO)NC(=O)[C@H]1CCCC(=O)N1C 911438549 HYWJAGGDQAUOER-SECBINFHSA-N 243.307 -0.657 50 20 BBGD Cc1ncc(C(=O)NN(C)C(N)=O)n1C 1119532860 OAUSWPIUNSBQJE-UHFFFAOYSA-N 211.225 -0.616 50 20 BBGD COCc1ncc(C(=O)NNC(=O)CO)s1 1323740484 OIOFEHSPXUHQCL-UHFFFAOYSA-N 245.260 -0.957 50 20 BBGD O=C1C[C@H](C(=O)NNC(=O)NC2CC2)CCN1 1323870231 FCJBYWAQMWVSAV-ZCFIWIBFSA-N 240.263 -0.995 50 20 BBGD NC(=O)C(=O)NN=C1CC(C(F)F)C1 1323971701 FRTBDPURYYQCNJ-UHFFFAOYSA-N 205.164 -0.381 50 20 BBGD COCCCNC(=O)NNC(=O)c1cn[nH]c1 1324344704 OHGQYZPYLDAPJA-UHFFFAOYSA-N 241.251 -0.610 50 20 BBGD COC(=O)c1ccccc1NNC(=O)CON 1578880533 KKCUUMXXYKTCHO-UHFFFAOYSA-N 239.231 -0.193 50 20 BBGD COC(=O)[C@@H]1C[C@@H]1C(=O)NNC(=O)C(C)(C)C 171379711 HCXFEMAERCWPCK-NKWVEPMBSA-N 242.275 -0.011 50 20 BBGD COCCNCc1cccc(B(O)O)c1 204333874 VGZOIMJWDXMIHI-UHFFFAOYSA-N 209.054 -0.898 50 20 BBGD CN(NC(=O)[C@H]1CCCN1C)C(N)=O 272132859 BYAMLOCQCDSAGJ-ZCFIWIBFSA-N 200.242 -0.878 50 20 BBGD COC(=O)NCCC(=O)NNc1ncccn1 497115309 KCWZSNZKAUKIIP-UHFFFAOYSA-N 239.235 -0.334 50 20 BBGD CO[C@H](C)CNCc1cccc(B(O)O)c1 585036573 JPJINNVEQQPYLF-SECBINFHSA-N 223.081 -0.509 50 20 BBGD OB(O)c1ccc(CNCCOC(F)F)o1 585047077 GCVAOHSJJDKZDS-UHFFFAOYSA-N 234.995 -0.712 50 20 BBGD O=C(NCB(O)O)c1ccc2ccncc2n1 585062433 IRYPPJIBXDUKER-UHFFFAOYSA-N 231.020 -0.628 50 20 BBGD CC(=O)NCC(=O)NNC(=S)NC(C)(C)C 726134618 KGOUIRWVHUZRMF-UHFFFAOYSA-N 246.336 -0.584 50 20 BBGD C[C@H](C#N)C(=O)NNC(=O)N=c1cc[nH]cc1 802030776 RGBRFHKCEZEQCL-SSDOTTSWSA-N 233.231 -0.184 50 20 BBGD Cc1cccc(C(=O)NNC(=O)[C@@H]2CC(=O)N2)n1 834815092 HGMPEHUHEJWSDP-QMMMGPOBSA-N 248.242 -0.960 50 20 BBGD CC(C)C(=O)NNC(=O)[C@@H]1CCOC(=O)N1 858143471 KTFFQSMONMDDAD-LURJTMIESA-N 229.236 -0.712 50 20 BBGD O=C(CO)NNC(=O)[C@H]1[C@H]2c3ccccc3C[C@H]21 863903256 ACUMEVAOROCQFG-ADEWGFFLSA-N 246.266 -0.288 50 20 BBGD COCCNC(=O)NN(C)C(=O)OC 864409582 ZFMYTRKYFQZWEX-UHFFFAOYSA-N 205.214 -0.455 50 20 BBGD COC(=O)N(C)NC(=O)NCCNC(C)=O 874995104 VOTOWKZYLLTJNA-UHFFFAOYSA-N 232.240 -0.965 50 20 BBGD CCCNC(=O)NNC(=O)CCn1cncn1 921039633 VZMLGCBQNZSATL-UHFFFAOYSA-N 240.267 -0.591 50 20 BBGD CC(C)(C)C(=O)NNC(=O)NCC#CCO 923785743 JURJIMCCHXDDEU-UHFFFAOYSA-N 227.264 -0.641 50 20 BBGD C[C@@H]1COC[C@H]1NC(=O)c1ccc(B(O)O)cc1 928883158 HQKOFAQWJJOWSC-LDYMZIIASA-N 249.075 -0.869 50 20 BBGD O=C(CCc1ccncn1)NNC(=O)C1CC1 1255793044 GTXZHJBRRFPAPU-UHFFFAOYSA-N 234.259 -0.033 50 20 BBGD CN(C)CC(=O)NN=Cc1cc(C(=O)O)co1 1262479126 PYXNYOJLAXZIRU-UHFFFAOYSA-N 239.231 -0.011 50 20 BBGD CNC(=O)NNC(=O)[C@H]1CCC(=O)C[C@H]1C 1319873116 HBOYXRJAEZBAQK-SVRRBLITSA-N 227.264 -0.048 50 20 BBGD O=C(NNC(=O)[C@H]1C[C@H]1F)C1CCOCC1 1349774887 FEIRSGHDPSPMMM-JGVFFNPUSA-N 230.239 -0.082 50 20 BBGD CCNC(=O)NNC(=O)CCCCN 1574076766 YQMJXIHVPUEXSH-UHFFFAOYSA-N 202.258 -0.534 50 20 BBGD CNNC(=O)c1ccncc1NC(C)=O 1578744300 CAZNWCQNDYHEFX-UHFFFAOYSA-N 208.221 -0.096 50 20 BBGD COCC(=O)NN=Cc1cccn1CC(=O)O 1599143181 OJIFXZSABDBSIW-UHFFFAOYSA-N 239.231 -0.331 50 20 BBGD CO[C@@H](C(=O)O)C(=O)NNC(=O)C1CCCC1 1604435604 XLUJBTLWHPYSIE-SSDOTTSWSA-N 244.247 -0.576 50 20 BBGD CN1CCO[C@H](C(=O)NNc2cnccn2)C1 85525643 LCLPEYUHYYRWER-QMMMGPOBSA-N 237.263 -0.750 50 20 BBGD CC(=O)N1c2ccccc2C[C@H]1C(=O)NN 121196406 HWIQUKABBWPYTB-JTQLQIEISA-N 219.244 -0.046 50 20 BBGD CCOCC(=O)Nc1cccc(B(O)O)c1 197008572 VOEKBJFWVHRTJK-UHFFFAOYSA-N 223.037 -0.659 50 20 BBGD CO[C@@H](CNCc1cccc(B(O)O)c1)C1CC1 585043467 OWQLWYMJQCXPKR-ZDUSSCGKSA-N 249.119 -0.119 50 20 BBGD CCC(=O)NNC(=O)[C@@H](C)N(CC)CCCO 764280836 URMVWIRJNZEQEP-SECBINFHSA-N 245.323 -0.363 50 20 BBGD C[C@H](O)C(=O)NNC(=O)c1ccccn1 765460950 YQAQRWUZSGFRRP-LURJTMIESA-N 209.205 -0.777 50 20 BBGD CCNC(=O)N(C)NC(=O)c1cc(OC)no1 768412426 VSWYKXVSXVHREK-UHFFFAOYSA-N 242.235 -0.011 50 20 BBGD O=C(CO)NN=Cc1cn(-c2ccccc2)nn1 776779570 NZTDYEBUJFKUQW-UHFFFAOYSA-N 245.242 -0.290 50 20 BBGD CNC(=O)NCC(=O)NNc1ncccc1F 804217968 LWILNANTFUXTDS-UHFFFAOYSA-N 241.226 -0.407 50 20 BBGD CC(C)CC(=O)NNC(=O)[C@H]1CC[C@H]1C(N)=O 816831540 XODHVBAMDRIDHT-SFYZADRCSA-N 241.291 -0.309 50 20 BBGD CCO[C@@H]1C[C@H]1C(=O)NN(CC)CCO 823853022 XGHKRTGMZZREEV-RKDXNWHRSA-N 216.281 -0.243 50 20 BBGD CCN(CCO)NC(=O)CCCNC(=O)OC 823856576 VGNVJEHFGJELCH-UHFFFAOYSA-N 247.295 -0.532 50 20 BBGD O=C(NN=c1cc[nH]cc1)c1ncc[nH]1 857483026 MRYUORMJGMSJJZ-UHFFFAOYSA-N 203.205 -0.017 50 20 BBGD O=C(COC(F)F)NNC(=O)c1cn[nH]c1 862469940 GCCDNMQAVCFYDT-UHFFFAOYSA-N 234.162 -0.590 50 20 BBGD CC(C)ONC(=O)c1ccc(B(O)O)cc1 863884087 XZSXGTDFJPSXAU-UHFFFAOYSA-N 223.037 -0.564 50 20 BBGD Cn1c(C(=O)NNC(=O)CC2CC2)cnc1O 868589575 FMCBJEOKFLDUNR-UHFFFAOYSA-N 238.247 -0.313 50 20 BBGD CC(=O)NNC(=O)c1cn2cccnc2n1 920430443 SLMVBTIOQZUMFK-UHFFFAOYSA-N 219.204 -0.490 50 20 BBGD CCNC(=O)NNC(=O)[C@@H](C)NC(=O)CC 920858495 TZKYNQWSAVYXGF-ZCFIWIBFSA-N 230.268 -0.749 50 20 BBGD O=C(Cc1cc[nH]n1)NNC(=O)c1cncnc1 1320303454 SLFVAWMJKVDGRC-UHFFFAOYSA-N 246.230 -0.797 50 20 BBGD CN(C)C(=O)NNC(=O)c1cccnc1 1322109276 JPGNWURZNDNQIL-UHFFFAOYSA-N 208.221 -0.002 50 20 BBGD CO[C@H](C(=O)O)C(=O)NNC(=O)OC(C)(C)C 1574103741 ABGNHTHZDCIABI-YFKPBYRVSA-N 248.235 -0.358 50 20 BBGD C=CC(C)(C)CNC(=O)NNC(=O)C(=O)O 1588677080 OOOOWVHDZAHYSP-UHFFFAOYSA-N 229.236 -0.386 50 20 BBGD O=C1C[C@@H](C(=O)NNc2cccc(C(=O)O)c2)N1 1602630872 FYRSZRZGRWWOSI-QMMMGPOBSA-N 249.226 -0.284 50 20 BBGD CCNC(=O)NNC(=O)[C@@H]1CC[C@H](C(=O)O)C1 1603770768 RZIJIEQPEOHJJU-RQJHMYQMSA-N 243.263 -0.162 50 20 BBGD C[C@H]1CCCC[C@@H]1NC(=O)NNC(=O)C(=O)O 1609853214 UCQBPYSEPRCFSV-BQBZGAKWSA-N 243.263 -0.020 50 20 BBGD O=C(C[C@H]1CCNC1)N1CC[C@H](B(O)O)C1 2088605347 VPAOBTVELHCRCQ-BDAKNGLRSA-N 226.085 -0.939 50 20 BBGD CC(=O)NNC(=O)CCn1cc(C)cn1 48823197 KBVHNKSDIFOEDZ-UHFFFAOYSA-N 210.237 -0.251 50 20 BBGD CNC(=O)NCCNS(=O)(=O)CCl 397448446 HGSZMJLPEKUBFD-UHFFFAOYSA-N 229.689 -0.969 50 20 BBGD CCO/C=C(/C#N)C(=O)N(C)[C@H]1CCNC1=O 490782252 IUMFAMDAIKBHEC-FUOZMLNRSA-N 237.259 -0.223 50 20 BBGD COC(=O)N(C)NC(=O)c1ncc(OC)cn1 495620279 RDOALNLGTXRPRI-UHFFFAOYSA-N 240.219 -0.172 50 20 BBGD CC[C@](C)(O)CNCc1ccc(B(O)O)cc1 585014874 GZMDEPWLQURMEO-LBPRGKRZSA-N 237.108 -0.383 50 20 BBGD COC[C@H](C)CNCc1cccc(B(O)O)c1 585019297 IOUPXFRXPDFMBK-SNVBAGLBSA-N 237.108 -0.262 50 20 BBGD O=C(O)NNS(=O)(=O)N1CCCC1 738662806 WNCLPIVXQRMQSY-UHFFFAOYSA-N 209.227 -0.901 50 20 BBGD O=C(Cn1cccn1)NNc1ncc(F)cn1 760914109 BJDXHNMLXYOLKJ-UHFFFAOYSA-N 236.210 -0.045 50 20 BBGD O=C(Cn1cncn1)NNc1ccccn1 777469476 SXROBUNYUVQONB-UHFFFAOYSA-N 218.220 -0.184 50 20 BBGD COCCCNC(=O)NNC(=O)C1(C)COC1 782593338 SDMKGEVOTBUEQF-UHFFFAOYSA-N 245.279 -0.610 50 20 BBGD CO[C@H]1CCC[C@@H](CC(=O)NNC(=O)CO)C1 795238591 LJNXBYCHMUOVRO-BDAKNGLRSA-N 244.291 -0.279 50 20 BBGD COCCC(COC)=NNC(=O)C(C)(C)O 812230088 NRHYWJUEJSXFRB-UHFFFAOYSA-N 232.280 -0.088 50 20 BBGD CN1CCC(=NNC(=O)Cc2cc[nH]n2)C1=O 814955236 ZZELXJDAZZYQDJ-UHFFFAOYSA-N 235.247 -0.714 50 20 BBGD CO[C@H](C)CC(=O)NNC(=O)[C@H]1CCO[C@H]1C 843646678 JZGDMNQEXRDCPS-VGMNWLOBSA-N 244.291 -0.016 50 20 BBGD Cc1nc(C)c(C(=O)NNC(=O)CN(C)C)[nH]1 857105281 IFXVCQKDVHEFJX-UHFFFAOYSA-N 239.279 -0.651 50 20 BBGD CCO/C=C(\C#N)C(=O)NN1CCOC1=O 862702033 UPYZGCUXIGCXJS-VOTSOKGWSA-N 225.204 -0.086 50 20 BBGD Cc1ncc(C(=O)NN(C)C[C@H](C)O)[nH]1 910168090 OLSMGPGCETVUKA-LURJTMIESA-N 212.253 -0.324 50 20 BBGD Cc1cc(C(=O)NN)ccc1-n1cnnn1 914751374 FPLXFDZQNNXUDN-UHFFFAOYSA-N 218.220 -0.426 50 20 BBGD COC(=O)C(=O)NNC(=O)N[C@H](C)C1CCC1 1253663335 RIVKEELUHLETEA-ZCFIWIBFSA-N 243.263 -0.322 50 20 BBGD CNC(=S)N(C)NC(=O)C1CCOCC1 1328415620 CAMZCVVTNKYNAS-UHFFFAOYSA-N 231.321 -0.120 50 20 BBGD CCNC(=O)NNC(=O)CCCn1cncn1 1331909685 BDKMENIJJABYIA-UHFFFAOYSA-N 240.267 -0.591 50 20 BBGD C[C@@H](CO)N(C)NC(=O)CCc1ncc[nH]1 1336011120 OQFDLKBYBIKMHB-QMMMGPOBSA-N 226.280 -0.314 50 20 BBGD CN(NC(=O)[C@@H]1CCc2n[nH]cc2C1)C(N)=O 1337548935 HWIXBUQLCYMBLM-ZCFIWIBFSA-N 237.263 -0.444 50 20 BBGD O=C(CN1CCCC1=O)NNC(=O)[C@@H]1C[C@@H]1F 1347384749 IRNDZOOASQEKSJ-RQJHMYQMSA-N 243.238 -0.886 50 20 BBGD CC[C@H](C)CC(=O)NNC(=O)C(=O)NC1CC1 191253634 HGDWWEATUVZSSV-ZETCQYMHSA-N 241.291 -0.151 50 20 BBGD COc1ccc(C(=O)N(C)C)cc1B(O)O 201727440 CXYGMWYIHNOUME-UHFFFAOYSA-N 223.037 -0.923 50 20 BBGD CC(C)CC(=O)NNC(=O)[C@H]1CCCC(=O)N1 270311103 SKHUDIWBUVXADW-MRVPVSSYSA-N 241.291 -0.151 50 20 BBGD C#CCN(CC(=O)NNC(=O)C(C)C)C1CC1 491719320 YXLDTPSBJACLKX-UHFFFAOYSA-N 237.303 -0.113 50 20 BBGD C[C@H](CCO)NCc1ccc(B(O)O)cc1F 585028573 LLCOOMUQLZWDKR-MRVPVSSYSA-N 241.071 -0.634 50 20 BBGD CO[C@@]1(C)C[C@H]1NCc1cccc(B(O)O)c1 585050032 OWMWXGQIEZAFEA-NEPJUHHUSA-N 235.092 -0.367 50 20 BBGD Cc1ccc([N+](=O)[O-])c(C(=O)NCB(O)O)c1 585059338 JXGDITYQFAZNSS-UHFFFAOYSA-N 238.008 -0.355 50 20 BBGD O=C(NCB(O)O)c1cc(Cl)ccn1 585072796 RNDQSTMFWBZSLY-UHFFFAOYSA-N 214.417 -0.523 50 20 BBGD CC(C)NC(=O)C(=O)NN=C1CCO[C@H]1C 747754860 GVJUMGPVPMRTIM-ZETCQYMHSA-N 227.264 -0.208 50 20 BBGD CNC(=O)NNC(=O)[C@@H](F)C(F)(F)F 815101313 UVLGTRSCKCCRCZ-UWTATZPHSA-N 217.122 -0.153 50 20 BBGD C[C@@H](CO)N(C)NC(=O)c1cncn1C 823929179 VVSHNVFFQLXBSC-ZETCQYMHSA-N 212.253 -0.623 50 20 BBGD CC(C)OCC(=O)NNC(=O)[C@H]1CCO[C@@H]1C 843645703 GQDBJEPFJSVUBM-BDAKNGLRSA-N 244.291 -0.016 50 20 BBGD CC[C@@H]1COCC1=NNC(=O)[C@@H]1CCC(=O)N1 863151530 NXJAJMRAEJERCJ-SFYZADRCSA-N 239.275 -0.206 50 20 BBGD CC(=O)NNC(=O)[C@H]1CCCN1c1ncccn1 873739675 LKDWZDCSKWJKJH-SECBINFHSA-N 249.274 -0.387 50 20 BBGD C/C(Cl)=C/C(=O)NNC(=O)C(=O)NC(C)C 900007774 RWTQCPKSLPVZQO-XQRVVYSFSA-N 247.682 -0.199 50 20 BBGD COC(=O)CC(=O)NNC(=O)[C@@H]1CCCCO1 908516374 AYVJYISRXNLYBX-ZETCQYMHSA-N 244.247 -0.734 50 20 BBGD C=CC(=O)N(CC)CC(=O)NN(C)[C@@H](C)CO 911445415 USNXLXRYRAHBNB-VIFPVBQESA-N 243.307 -0.635 50 20 BBGD COc1cc(C(=O)NN(C)C(N)=O)ccn1 1342117757 FDHJJKBQHGSTOR-UHFFFAOYSA-N 224.220 -0.255 50 20 BBGD COC(=O)NNS(=O)(=O)c1c(C)cnn1C 1345375841 AAXHLEHCZGHPOY-UHFFFAOYSA-N 248.264 -0.722 50 20 BBGD CCOC(=O)[C@H](N)C(=O)NNc1ccccn1 1577922000 TUTRVZQLHUKGON-MRVPVSSYSA-N 238.247 -0.585 50 20 BBGD O=S(=O)(CCCCl)N(CCO)CCO 37842898 VTPJMLCCDKORCH-UHFFFAOYSA-N 245.728 -0.768 50 20 BBGD C[C@H](NC(=O)NNC(N)=S)C1CC1 43842774 VNDPJBUJIOOMGG-BYPYZUCNSA-N 202.283 -0.168 50 20 BBGD C[C@H](Cn1ccnc1)NC(=O)NNC(N)=S 47028529 ZSMFIDKEVKJEJF-ZCFIWIBFSA-N 242.308 -0.681 50 20 BBGD O=C(CO)NNC(=O)c1cccc2[nH]ccc12 182746841 ARSBDWADHXQJMJ-UHFFFAOYSA-N 233.227 -0.079 50 20 BBGD C=CCOCCCC(=O)NNC(=O)NC 266275808 PLVIQUVLZLPMDH-UHFFFAOYSA-N 215.253 -0.071 50 20 BBGD CCNC(=O)N(C)NC(=O)[C@H]1CCCC(=O)N1 272483996 BLVZBKZLUFLVTN-SSDOTTSWSA-N 242.279 -0.652 50 20 BBGD CC(=O)NCCCNS(=O)(=O)CCl 308143338 KBBGKWNREWMINK-UHFFFAOYSA-N 228.701 -0.372 50 20 BBGD C[C@@H]1C[C@@H]1C(=O)Nc1cccc(B(O)O)c1 404993737 WHRCYAMSZMDLKN-XCBNKYQSSA-N 219.049 -0.039 50 20 BBGD COCCn1cc(/C=C(/C#N)C(N)=O)cn1 490662322 AOVDJQVOVFJXMM-WTKPLQERSA-N 220.232 -0.078 50 20 BBGD CO[C@@]1(C)C[C@H]1NCc1ccc(B(O)O)o1 585050329 WXOAXJNIFZDXFE-SCZZXKLOSA-N 225.053 -0.774 50 20 BBGD C[C@H](C(=O)NCB(O)O)c1ccsc1 585059807 BICGZKGFUSAZDW-LURJTMIESA-N 213.067 -0.020 50 20 BBGD O=C(c1cc(C2CC2)[nH]n1)N1CC[C@H](B(O)O)C1 585069410 NZMIZHFRXQKMHM-QMMMGPOBSA-N 249.079 -0.024 50 20 BBGD OB(O)[C@H]1CCN(C[C@@H]2CCCOC2)C1 585077572 VVXKBMLJDFJIBI-UWVGGRQHSA-N 213.086 -0.038 50 20 BBGD O=C(NNC1=N[C@H]2C=C[C@H]1C2)C(=O)N1CCCC1 739409681 JXOUGGXZTHKTKB-IUCAKERBSA-N 248.286 -0.414 50 20 BBGD Cc1n[nH]cc1C(=O)NNC(=O)c1cncn1C 809670951 SYOSTWKKLUWPIB-UHFFFAOYSA-N 248.246 -0.474 50 20 BBGD O=C(CC1CC1)NNC(=O)[C@@]1(O)CCSC1 819117813 FMWYMZLRXBOJOE-SNVBAGLBSA-N 244.316 -0.198 50 20 BBGD CCOCCO[C@H](C)C(=O)NN(CC)CCO 823852239 AHRRFIQYVHUQFE-SNVBAGLBSA-N 248.323 -0.227 50 20 BBGD CCN(CCO)NC(=O)C[C@H]1CCC(=O)N1C 823888955 CFBXYKGSLPUJAQ-SECBINFHSA-N 243.307 -0.657 50 20 BBGD C[C@H](CO)N(C)NC(=O)COc1cccnc1 823965275 LHOFLKGZFRWJFI-SECBINFHSA-N 239.275 -0.196 50 20 BBGD COc1ccc(C(=O)NNC(=O)C(C)(C)O)o1 847857012 ZMDORZWVPGRZDY-UHFFFAOYSA-N 242.231 -0.180 50 20 BBGD CNC(=S)N(C)NC(=O)c1c[nH]nc1C 854925409 FXBXDMUGVVEPGL-UHFFFAOYSA-N 227.293 -0.201 50 20 BBGD COc1nccnc1NNC(=O)[C@@H](C)O 857539848 HYQCIIYUTNJXKF-RXMQYKEDSA-N 212.209 -0.691 50 20 BBGD COCC(=O)NNC(=O)Nc1cc(OC)n[nH]1 861382056 YOFUXEHHCCTZTL-UHFFFAOYSA-N 243.223 -0.783 50 20 BBGD NNC(=O)Cc1cnn(-c2ccccc2)n1 915828516 OCQVIBQFSJNRFJ-UHFFFAOYSA-N 217.232 -0.200 50 20 BBGD Cc1n[nH]cc1C=NNC(=O)CN1CCCC1=O 915953230 SJPXNWAWWYQROK-UHFFFAOYSA-N 249.274 -0.209 50 20 BBGD Cc1nnccc1C(=O)NNC(=O)NC1CC1 1322948286 GYMHZZLGMCVTJP-UHFFFAOYSA-N 235.247 -0.109 50 20 BBGD CC[C@@]1(C(=O)NNC(C)=O)CCNC1=O 1329232106 PHJJIVFDHCRLOD-SECBINFHSA-N 213.237 -0.930 50 20 BBGD O=C(c1cnsn1)N1CC[C@H](B(O)O)C1 1351730773 ZSOVTOLQLZBUQS-YFKPBYRVSA-N 227.054 -0.773 50 20 BBGD CCN1CCC(=NNC(=O)C(=O)O)[C@@H](C)C1 1596403117 UPKWJFKIZKPPKT-ZETCQYMHSA-N 227.264 -0.095 50 20 BBGD CS[C@@H](C)C(=O)NNC(=O)C(=O)NC(C)C 42850846 CHJBVPVKATYNGW-LURJTMIESA-N 247.320 -0.590 50 20 BBGD O=C(NNC(=O)[C@H]1CCOC1)c1ccccn1 49354005 AMNDYSQVFGSPKF-QMMMGPOBSA-N 235.243 -0.121 50 20 BBGD CO[C@H](C)C(=O)NNC(=O)c1cccnc1 55152341 OAOSAZQNLNDLKS-SSDOTTSWSA-N 223.232 -0.123 50 20 BBGD O=C(NNC(=O)C1CC1)c1cncc(O)c1 264708301 OEHCMNWJYADOQK-UHFFFAOYSA-N 221.216 -0.042 50 20 BBGD COC(=O)[C@H]1CC[C@H]1C(=O)NN(C)C(N)=O 285912412 VZINQPBKPVLRIO-RITPCOANSA-N 229.236 -0.773 50 20 BBGD O=C(c1ccc(B(O)O)cc1)N1N[C@H]2CC[C@H]1C2 585010554 UIYJIAUZMUCAIF-QWRGUYRKSA-N 246.075 -0.752 50 20 BBGD C[C@H](CO)CCCNCc1ccc(B(O)O)o1 585034184 JVAVFMQLELEOLF-VIFPVBQESA-N 241.096 -0.542 50 20 BBGD C[C@H]1CC(=NNC(=O)CN(C)C)CN1C 761810823 VAMMRULBEZEMRJ-QMMMGPOBSA-N 212.297 -0.256 50 20 BBGD C[C@@H](O)C(=O)NNC(=O)c1ccccc1F 786682277 FUCSSAWONYEBLB-ZCFIWIBFSA-N 226.207 -0.033 50 20 BBGD CCO/C=C(/C#N)C(=O)O[C@H]1CNOC1 819749220 OJPZSDGQLBOEPR-TVSKSKRASA-N 212.205 -0.123 50 20 BBGD Cc1ncc(C(=O)NNC(=O)C(C)C)c(N)n1 823812589 MOFRTTNUPHMZMT-UHFFFAOYSA-N 237.263 -0.216 50 20 BBGD COC(=O)CCCC(=O)NN(C)[C@@H](C)CO 823939835 QHWJQUNSSZLLDI-QMMMGPOBSA-N 232.280 -0.327 50 20 BBGD C=C[C@@H](O)C(=O)NNc1nc(C)cc(OC)n1 829488537 UWVQBJNAOIQQBP-SSDOTTSWSA-N 238.247 -0.216 50 20 BBGD CCCn1nccc1C=NNC(=O)CO 853329272 CJZCSXVHCGKASY-UHFFFAOYSA-N 210.237 -0.265 50 20 BBGD CC(=O)NCC(=O)NN[C@@H](C)C(F)(F)F 862303107 KFDSGGHQCZZIBF-BYPYZUCNSA-N 227.186 -0.306 50 20 BBGD CN(C)CC1(C(=O)NNC(=O)C2CC2)CC1 873751545 SVQKJJWUBSXRLA-UHFFFAOYSA-N 225.292 -0.114 50 20 BBGD CN(NC(=O)[C@@]1(Cl)C[C@H]2CC[C@H]1O2)C(N)=O 907189394 XJDBGGILBIIURY-HCVRKRLWSA-N 247.682 -0.043 50 20 BBGD CCCN(C)CC(=O)NN(C)C[C@@H](C)O 910166661 ZXTNQYKMNQMQBC-SECBINFHSA-N 217.313 -0.328 50 20 BBGD C[C@H]1OCC[C@H]1C(=O)NNc1cnnn1C 1327873939 LNOPIGQCQJHWSZ-RNFRBKRXSA-N 225.252 -0.317 50 20 BBGD O=C1CC(C(=O)NNC(=O)Cc2cc[nH]n2)C1 1337767017 QKYQDLUQJGANSI-UHFFFAOYSA-N 236.231 -0.921 50 20 BBGD CC(C)C(=O)NNC(=O)[C@H]1CC[C@H]1C(=O)O 1588799518 NQRMTRKGRBSNPV-NKWVEPMBSA-N 228.248 -0.099 50 20 BBGD CCO/C=C(/C#N)C(=O)NC[C@H](F)C(=O)O 1596861671 FKWAQYHMGOHGFX-RBSILHGTSA-N 230.195 -0.031 50 20 BBGD O=C(O)CNC(=O)NN=Cc1ccc[nH]1 1608754625 UIGGEOMIBMYRRV-UHFFFAOYSA-N 210.193 -0.268 50 20 BBGD Cc1cc(C(=O)NNC(=O)CN(C)C)ns1 277733108 KDQOIFVIOPJUEU-UHFFFAOYSA-N 242.304 -0.226 50 20 BBGD Cn1cc(CN2CC[C@H](B(O)O)C2)cn1 585077057 QMYCFRCYWRDXGG-VIFPVBQESA-N 209.058 -0.531 50 20 BBGD CCNC(=O)NN=C1CCCS(=O)(=O)C1 731925764 VGUQAHFXJHCJCW-UHFFFAOYSA-N 233.293 -0.130 50 20 BBGD CCC(=O)N[C@@H](C)C(=O)NNC(=O)C1CCC1 732142162 UKWKYXJRXIBCOU-ZETCQYMHSA-N 241.291 -0.151 50 20 BBGD CCNC(=O)NNC(=O)[C@H]1C[C@@H]1C(=O)O 737124174 YWQQGKBFYDAOBJ-WHFBIAKZSA-N 215.209 -0.943 50 20 BBGD COc1ncnc(N)c1C=NNC(=O)C1CC1 747626099 SZNSTACJPRWXKH-UHFFFAOYSA-N 235.247 -0.073 50 20 BBGD CC(=O)NNC(=O)C#Cc1ccc2c(c1)OCO2 765990877 ZVHBODHOKMTGHL-UHFFFAOYSA-N 246.222 -0.066 50 20 BBGD CCOCC(=O)NNC(=O)NCCC(C)(C)O 776265291 QICHFNJEHAHCKQ-UHFFFAOYSA-N 247.295 -0.486 50 20 BBGD COCCN(C)NC(=O)[C@H]1CCCO1 808074773 KQFYUNOUBYWKDX-MRVPVSSYSA-N 202.254 -0.225 50 20 BBGD C[C@@H](CO)N(C)NC(=O)c1cnc2n1CCC2 823913581 XHWFPHSIKCLPAW-QMMMGPOBSA-N 238.291 -0.213 50 20 BBGD CC[C@@H](C(=O)NN(C)CCOC)N(C)C 837626441 KWGFPOXHGWUYRD-VIFPVBQESA-N 217.313 -0.064 50 20 BBGD Cc1cc(=NNC(=O)[C@H]2CCCN2C=O)cc[nH]1 862515636 YNYFUIDOATTXRA-LLVKDONJSA-N 248.286 -0.124 50 20 BBGD COC[C@@H](OC)C(=O)NN=c1cc[nH]c(C)c1 862516074 JYQLBQTZLVAPFT-SNVBAGLBSA-N 239.275 -0.084 50 20 BBGD CCCOCC(=O)NNC(=O)COCCOC 869909105 JGVBQPRYVORRJK-UHFFFAOYSA-N 248.279 -0.777 50 20 BBGD COCCOCC(=O)NN=C(C)c1cnc[nH]1 872400073 NGOJYJYQWUSXJI-UHFFFAOYSA-N 240.263 -0.087 50 20 BBGD C[C@H](O)CN(C)NC(=O)[C@H]1CCN(C)C1 910156856 NHJUBTNEPMTZTQ-IUCAKERBSA-N 215.297 -0.718 50 20 BBGD CC(=NNC(=O)C(N)=O)c1ccc2c(c1)OCO2 916272213 FBKZGKFILFNRGP-UHFFFAOYSA-N 249.226 -0.259 50 20 BBGD CCn1cc(C(=O)NN(C)C(=O)OC)nn1 935907725 AZYIPRQPLSJTFJ-UHFFFAOYSA-N 227.224 -0.359 50 20 BBGD O=C(Cc1cc(O)nc(O)n1)NN=CC1CC1 1341145021 NPANZVMVVISJFX-UHFFFAOYSA-N 236.231 -0.058 50 20 BBGD C[C@@H]1C[C@H]1C(=O)NNC(=O)c1cnn(C)c1 170969129 KXAYNHQICYFLLL-HTRCEHHLSA-N 222.248 -0.163 50 20 BBGD COCCN(C)NC(=O)c1cc([N+](=O)[O-])[nH]n1 297195168 VNGDEASDQJOBOS-UHFFFAOYSA-N 243.223 -0.459 50 20 BBGD C=CCCO[C@@H](C)C(=O)NNC(=O)NC 299259928 HDVCWHZXLWRPBH-ZETCQYMHSA-N 215.253 -0.072 50 20 BBGD CC[C@](C)(NS(=O)(=O)CCl)C(N)=O 308184081 IRNBLAGSWIVIMZ-LURJTMIESA-N 228.701 -0.244 50 20 BBGD C[C@@](O)(CNCc1ccc(B(O)O)o1)C1CC1 585023907 NTGPWIGISISNOR-LLVKDONJSA-N 239.080 -0.790 50 20 BBGD CCC(C)(C)CC(=O)NNC(=O)CO 753443280 YEEMXGSJCILYGU-UHFFFAOYSA-N 202.254 -0.048 50 20 BBGD CC(=O)NNS(=O)(=O)C[C@@H]1CCCO1 775249444 QLFNEAOIMSBQDO-ZETCQYMHSA-N 222.266 -0.864 50 20 BBGD NC(=O)C1(C(=O)NNc2ccnc(F)c2)CC1 781362727 OUCXOUJSGSZFPR-UHFFFAOYSA-N 238.222 -0.071 50 20 BBGD CN1C(=O)CC[C@@H]1C(=O)NN=c1cc[nH]cc1 807211866 ZUMNMENZANRQHX-SECBINFHSA-N 234.259 -0.433 50 20 BBGD CCc1cc(C(=O)NN(CC)CCO)n(C)n1 823828930 KHIQFJIEBQCGSD-UHFFFAOYSA-N 240.307 -0.059 50 20 BBGD CCNC(=O)N(C)NC(=O)[C@H](N)CC(F)F 831945506 QWHATLWYUNHIHZ-RXMQYKEDSA-N 238.238 -0.339 50 20 BBGD CON=CC(=O)NNC(=O)[C@H]1CCO[C@@H]1C 843970517 HJTUKFCAVMWJQS-RQJHMYQMSA-N 229.236 -0.809 50 20 BBGD COCCN(C)NC(=O)Cc1nonc1C 846122169 JSOHTMZIGPWLPR-UHFFFAOYSA-N 228.252 -0.470 50 20 BBGD COC[C@@H](OC)C(=O)NNC(=O)c1ccc[nH]1 854279273 TVDISCHKKYHZBE-MRVPVSSYSA-N 241.247 -0.563 50 20 BBGD C[C@@H](O)CN(C)NC(=O)[C@H]1CCCCO1 910160416 HXYMWTIMEPEUHQ-RKDXNWHRSA-N 216.281 -0.101 50 20 BBGD CCC[C@H](O)C(=O)NNC(=O)NCC 930734979 TWAQAPWNEAKRLH-LURJTMIESA-N 203.242 -0.502 50 20 BBGD Cn1cnn(CC(=O)N2CC=C(C#N)CC2)c1=O 1116519511 YIHUBCUBEAZRCA-UHFFFAOYSA-N 247.258 -0.736 50 20 BBGD CC(C)OCC(=O)N1CC[C@@H](B(O)O)C1 1118973674 CAOSQVUMXDFNNU-MRVPVSSYSA-N 215.058 -0.513 50 20 BBGD CC[C@@H](F)C(=O)NNC(=O)c1cc[nH]n1 1120753087 FPMMXCVOBIMDET-RXMQYKEDSA-N 214.200 -0.081 50 20 BBGD CC(=O)N[C@@H](C)C(=O)NNc1ncccn1 1317817410 IIQUBAMBZOHBIJ-LURJTMIESA-N 223.236 -0.556 50 20 BBGD CC1=C(C)C(=O)N(CCC(=O)NN)C1=O 1576553568 NPFHOYZFIWXTAO-UHFFFAOYSA-N 211.221 -0.928 50 20 BBGD C[C@H](NC(=O)/C(C#N)=C/c1cnn(C)c1)C(=O)O 1599891863 ZONDYRYQIJXKJB-FHYFFISESA-N 248.242 -0.084 50 20 BBGD C=CCN(C)CC(=O)NNC(=O)C1CC1 121572138 MGFOXTOTUACTPB-UHFFFAOYSA-N 211.265 -0.338 50 20 BBGD COC(=O)NNC(=O)[C@H]1CCCCO1 158864123 SZEKJZSVDRDEDZ-ZCFIWIBFSA-N 202.210 -0.057 50 20 BBGD CCOc1cccc(C(=O)NNC(=O)CO)c1 180954228 KFJYDGHEBGCXPC-UHFFFAOYSA-N 238.243 -0.161 50 20 BBGD CCOC(=O)c1cnn2ccc(B(O)O)cc12 575442204 SXYPBHUMLUPNMI-UHFFFAOYSA-N 234.020 -0.809 50 20 BBGD O=C(CCc1ccsc1)NCB(O)O 585057518 GEQSXQLSKYLQSS-UHFFFAOYSA-N 213.067 -0.191 50 20 BBGD O=C(CCOc1cccc(F)c1)NCB(O)O 585061090 PKLPFJPAYLDCTL-UHFFFAOYSA-N 241.027 -0.277 50 20 BBGD CC(C)(C)C(=O)C(=O)N1CC[C@@H](B(O)O)C1 585077977 UZTQONPOFHPMMM-SSDOTTSWSA-N 227.069 -0.323 50 20 BBGD Cc1nonc1C(=O)NN=c1cc[nH]cc1 780754885 HDNYGOAMZVLNCF-UHFFFAOYSA-N 219.204 -0.048 50 20 BBGD CCCNC(=O)NNC(=O)CCCC(N)=O 787211912 UZFWUWKUXQVCRE-UHFFFAOYSA-N 230.268 -0.618 50 20 BBGD CON=CC(=O)NNC(=O)c1cccc(C)n1 809801470 XASURJUVBFPFBL-UHFFFAOYSA-N 236.231 -0.217 50 20 BBGD CN(NC(=O)Cn1ccccc1=O)C1CC1 819643174 YZKDZYCXRGMDBE-UHFFFAOYSA-N 221.260 -0.026 50 20 BBGD C[C@@H](CO)N(C)NC(=O)C1(C)COC1 823935204 PBQSSZKBTIWJPV-ZETCQYMHSA-N 202.254 -0.633 50 20 BBGD CCNC(=O)N(C)NC(=O)[C@@H](N)CCSC 831944649 DVBBVWZPJGQYHX-ZETCQYMHSA-N 248.352 -0.241 50 20 BBGD CCNC(=O)NNC(=O)[C@@H]1CCN(C)[C@@H]1C 843774918 KCJIYZATQBJMLP-HTQZYQBOSA-N 228.296 -0.323 50 20 BBGD CN1C(=O)CC[C@@H]1CC(=O)NNc1ccncn1 854748140 XXJBYULWNSBHMU-MRVPVSSYSA-N 249.274 -0.069 50 20 BBGD C/C=C(/C)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862456810 UDYOAJQJBSXJEP-NFNQMPKISA-N 225.248 -0.621 50 20 BBGD C[C@@H](O)CN(C)NC(=O)C[C@H]1CCCC(=O)N1 910146460 DRGJJHGMZLQECM-RKDXNWHRSA-N 243.307 -0.611 50 20 BBGD CNC(=O)NNC(=O)C1CCN(C)CC1 1318859243 LACAJLTYZUUOJZ-UHFFFAOYSA-N 214.269 -0.712 50 20 BBGD NC(=O)C(=O)NN=Cc1scnc1C1CC1 1320874514 QYNHEJNXOXPCHJ-UHFFFAOYSA-N 238.272 -0.044 50 20 BBGD Cn1nncc1C(=O)NNC(=O)NCC1CC1 1321187849 MVBSKVKKECFCMW-UHFFFAOYSA-N 238.251 -0.831 50 20 BBGD COC(=O)N(C)NC(=O)[C@H]1CCNC(=O)C1 1323786219 KGFVIURZJNCTOQ-LURJTMIESA-N 229.236 -0.758 50 20 BBGD CCO/C=C(\C#N)C(=O)N=c1ccn(C)c(O)n1 1335047949 VLWDYICJQDKAJX-BQYQJAHWSA-N 248.242 -0.003 50 20 BBGD CCNC(=O)NNC(=O)[C@H]1C[C@@H](C(=O)OC)C1 1357826704 RGKZQOJPJKTQQX-KNVOCYPGSA-N 243.263 -0.464 50 20 BBGD C=CCNC(=S)NNC(=O)[C@H](CC)C(=O)O 1588845304 FGTKTNBQCNPCNZ-LURJTMIESA-N 245.304 -0.222 50 20 BBGD CN(NC(=O)c1cc(C(=O)O)co1)C(N)=O 1606180994 UJOSTCFJHDDKNW-UHFFFAOYSA-N 227.176 -0.367 50 20 BBGD CCC(=O)NNC(=O)[C@H](C)N1CCSCC1 109830938 UBBJJMJBKZWVEK-QMMMGPOBSA-N 245.348 -0.019 50 20 BBGD CN(CC(=O)NNC(=O)C1CC1)CC(C)(C)O 114728692 ZLHHQZOMRIXEHK-UHFFFAOYSA-N 243.307 -0.754 50 20 BBGD COC(=O)N(C)NC(=O)[C@@H](O)C(C)C 291900627 KCVCIMMAFFMTSO-LURJTMIESA-N 204.226 -0.267 50 20 BBGD O=C1NC(=O)[C@H]2CN(C(=O)CCCl)C[C@@H]12 306882977 ODHFFWGQBULKSE-OLQVQODUSA-N 230.651 -0.654 50 20 BBGD C[C@@H]1C[C@H]1C(=O)Nc1cccc(B(O)O)c1 404993734 WHRCYAMSZMDLKN-GMSGAONNSA-N 219.049 -0.039 50 20 BBGD CCc1[nH]nc(C(=O)NNC(C)=O)c1[N+](=O)[O-] 731640499 SXIVTHUXWCMAGJ-UHFFFAOYSA-N 241.207 -0.339 50 20 BBGD CN1C(=O)CC[C@H]1C(=O)NN=c1cc[nH]cc1 752773555 ZUMNMENZANRQHX-VIFPVBQESA-N 234.259 -0.433 50 20 BBGD CNC(=O)NNC(=O)[C@H]1CO[C@@H](C)C1 784143952 GFUOVYIWTXHUPH-NTSWFWBYSA-N 201.226 -0.628 50 20 BBGD CCC(=O)NNS(=O)(=O)N1CCC(C)CC1 808069089 OAKRNLHKSBANRS-UHFFFAOYSA-N 249.336 -0.006 50 20 BBGD CCNC(=O)NN=C(C)c1cnn(C)n1 834944946 BRQMNDTZJDBRJB-UHFFFAOYSA-N 210.241 -0.142 50 20 BBGD C[C@@H](O)CN(C)NC(=O)c1cnc2cccnn12 910148598 CNDCUYLZUYMETP-MRVPVSSYSA-N 249.274 -0.313 50 20 BBGD C[C@@H](O)CN(C)NC(=O)[C@H](O)c1ccccn1 910152205 JQBAPSGHHNRDBK-PSASIEDQSA-N 239.275 -0.541 50 20 BBGD CCCOCC(=O)NN(C)C[C@@H](C)O 910168754 QORDJZTYZTWIDR-MRVPVSSYSA-N 204.270 -0.243 50 20 BBGD C[C@@H](O)CN(C)NC(=O)CCn1ccnc1 910169179 YOCUMTVBSFXSCR-SECBINFHSA-N 226.280 -0.383 50 20 BBGD CNC(=O)NNC(=O)c1cn(C)nc1C(F)F 1319585339 CTPUXHKULWCOAV-UHFFFAOYSA-N 247.205 -0.069 50 20 BBGD CN(NC(=O)c1ncccc1O)C(N)=O 1320765009 SNDQENLNEKBAMN-UHFFFAOYSA-N 210.193 -0.558 50 20 BBGD CO[C@H](C)C(=O)N1CC[C@H](B(O)O)C1 1329291703 GJFSKVNKRQSDIP-RQJHMYQMSA-N 201.031 -0.903 50 20 BBGD O=C(NNC(=O)C1CCC1)N[C@H]1CCOC1=O 1527837505 TZTGAIJYYLXVQS-ZETCQYMHSA-N 241.247 -0.568 50 20 BBGD C[C@H](CO)N(C)NC(=O)CCC(=O)O 1589073412 MWXYWDLKLXRFJY-ZCFIWIBFSA-N 204.226 -0.805 50 20 BBGD CCO/C=C(/C#N)C(=O)N(CC#N)CC(=O)O 1596859374 AYJJCRIJSABHBK-FPLPWBNLSA-N 237.215 -0.133 50 20 BBGD CNC(=O)NNC(=O)[C@H](C(=O)O)C(C)C 1604240812 NAXGDUGBTRNSGR-RXMQYKEDSA-N 217.225 -0.697 50 20 BBGD CNC(=O)NNC(=O)[C@H]1CC[C@H](C(=O)O)CC1 1610141251 XZZSPWSWPDSXMO-LJGSYFOKSA-N 243.263 -0.162 50 20 BBGD O=C(O)C(=O)NN=Cc1ccc(O)cc1 1610713997 CMEADDHBSPJSQC-UHFFFAOYSA-N 208.173 -0.073 50 20 BBGD O=C(NNC(=O)[C@@H]1CCCO1)c1ccon1 128671473 QTAUCYPUSGLVAS-ZETCQYMHSA-N 225.204 -0.385 50 20 BBGD COC(=O)CCCC(=O)NNC(=O)OC 274327730 YXTRWLDZPYSHJZ-UHFFFAOYSA-N 218.209 -0.283 50 20 BBGD C#CCC(C)(C)C(=O)NNC(=O)C(C)(C)O 278058223 XYLPQSALOFYZIX-UHFFFAOYSA-N 226.276 -0.046 50 20 BBGD O=S(=O)(CCCCl)N[C@@H]1COC[C@H]1O 323438407 CEOYLJZOMOAKJN-RNFRBKRXSA-N 243.712 -0.706 50 20 BBGD N#CC1(NC(=O)c2cc(B(O)O)ccc2F)CC1 584947161 HQQPVZXFZUEDIA-UHFFFAOYSA-N 248.022 -0.709 50 20 BBGD Cc1nccnc1N1CC[C@H](B(O)O)C1 585078306 BUEXJCHKXOJADV-QMMMGPOBSA-N 207.042 -0.162 50 20 BBGD COc1cc(N2CC[C@@H](B(O)O)C2)ncn1 585078934 PUDBXFSUEOZAMN-SSDOTTSWSA-N 223.041 -0.462 50 20 BBGD CN1CCN(S(=O)(=O)CCl)CCC1=O 606290093 FHIQLOPRXNMEER-UHFFFAOYSA-N 240.712 -0.323 50 20 BBGD O=C(O)NCC(=O)NNc1cnccn1 738651318 AVJOBOZQNRBBNJ-UHFFFAOYSA-N 211.181 -0.813 50 20 BBGD CCCC1(C(=O)NNC(=O)CO)CC1 753444248 HPISRNCMIAJAIF-UHFFFAOYSA-N 200.238 -0.294 50 20 BBGD Cn1c(=O)oc2cc(C=NNC(=O)CO)ccc21 754959750 ABLKJTYSROPJPQ-UHFFFAOYSA-N 249.226 -0.426 50 20 BBGD CC(C)(C(N)=O)C(=O)NNC(=O)c1ccccc1 767408289 YVMDEMTYBIKAHK-UHFFFAOYSA-N 249.270 -0.041 50 20 BBGD CN1CC[C@H](C(=O)NNC(=O)C(C)(C)C)C1=O 772192090 SPBQFZSVIPCEDA-SSDOTTSWSA-N 241.291 -0.342 50 20 BBGD Cc1nc(N)nc(C)c1C(=O)NNC(=O)C1CC1 777841102 ZNLWGTWNQIUZSP-UHFFFAOYSA-N 249.274 -0.153 50 20 BBGD CCNC(=O)N(C)NS(=O)(=O)NCC 782477819 AAQQHVIQPQLSRG-UHFFFAOYSA-N 224.286 -0.993 50 20 BBGD COCCC(=O)NNC(=O)N1CCN(C)CC1 788165654 FGWXNGFJRMCSSW-UHFFFAOYSA-N 244.295 -0.989 50 20 BBGD CC(F)(F)C(=O)NNC(=O)Cc1cc[nH]n1 815475759 XMBXXQJSWCIHFZ-UHFFFAOYSA-N 232.190 -0.245 50 20 BBGD C[C@@H](O)C(=O)NNc1ncncc1F 817067368 KHDHRSXBJMGJIK-SCSAIBSYSA-N 200.173 -0.560 50 20 BBGD CCC(=O)N[C@H](C)C(=O)NNC(=O)CC1CC1 819131341 BJKWNWCNPANUGR-SSDOTTSWSA-N 241.291 -0.151 50 20 BBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)N1CCC1 827274599 PQJISVVIWCRSFS-SFYZADRCSA-N 227.264 -0.142 50 20 BBGD CC(C)(CO)C(=O)NNC(=O)N1CCOCC1 847403494 XJSKNZHNWWDALK-UHFFFAOYSA-N 245.279 -0.922 50 20 BBGD CCOC(=O)NNC(=O)[C@@H](NC=O)C(C)C 858112741 SFRAOYGDKLTCOG-ZETCQYMHSA-N 231.252 -0.466 50 20 BBGD Cc1cc(=NNC(=O)CN(C)C)cc[nH]1 862511697 YFOSSXBQIAHUNU-UHFFFAOYSA-N 208.265 -0.183 50 20 BBGD CC(=O)NCC(C)(C)C(=O)NN(C)C[C@@H](C)O 910139872 FIWFDJABULISTK-MRVPVSSYSA-N 245.323 -0.508 50 20 BBGD Cc1cccc(C=NNC(=O)C(N)=O)c1 916272371 PIMAOFDEEDOIFH-UHFFFAOYSA-N 205.217 -0.070 50 20 BBGD C[C@@H](O)CN(C)NC(=O)CCc1cnccn1 1262177763 GVGPWMYVGUJCSR-SECBINFHSA-N 238.291 -0.247 50 20 BBGD CNC(=O)NNC(=O)[C@H]1CCC[C@@H]1OC 1262605021 LDOCLWSISXVJEW-BQBZGAKWSA-N 215.253 -0.238 50 20 BBGD CCNC(=O)NNC(=O)c1cn(C)nc1C 1318788827 OYROFJCVORXUCP-UHFFFAOYSA-N 225.252 -0.308 50 20 BBGD Cc1n[nH]cc1C=NNC(=O)[C@@H]1CCC(=O)N1 1348411039 FYFLLLDQVSMEMH-QMMMGPOBSA-N 235.247 -0.553 50 20 BBGD COCC(=O)NN[C@@H](C(=O)O)C1CC1 1610242209 UJLXLXRGRKNIDU-SSDOTTSWSA-N 202.210 -0.883 50 20 BBGD CCOC(=O)NNC(=O)CNC(=O)C1CC1 47470626 LRHLHBUMAZTCKD-UHFFFAOYSA-N 229.236 -0.710 50 20 BBGD Cc1nnnn1[C@@H](Cc1ccccc1)C(=O)NN 270252746 VIRFNTSPCSYWPX-JTQLQIEISA-N 246.274 -0.245 50 20 BBGD N#CCCCC(=O)NNC(=O)N1CCOCC1 291600726 BYVOMFMALNZXLL-UHFFFAOYSA-N 240.263 -0.247 50 20 BBGD CNc1nc(C(=O)NNC(C)=O)cs1 307310205 FRHXQCTXTZORGI-UHFFFAOYSA-N 214.250 -0.034 50 20 BBGD CC(C)N(C)C(=O)c1cc(B(O)O)ccc1F 584928002 MCBSHNXWKQZNMP-UHFFFAOYSA-N 239.055 -0.014 50 20 BBGD CCCNC(=O)NNC(=O)C1(C(=O)NC)CC1 729968144 LADMZULQKXIGGQ-UHFFFAOYSA-N 242.279 -0.747 50 20 BBGD COc1cc(C)nc(NNC(=O)c2nc[nH]n2)n1 746208303 ZHHTWTZLDFQUOU-UHFFFAOYSA-N 249.234 -0.331 50 20 BBGD O=C(NNC(=O)[C@H]1C[C@@]12CCOC2)NC1CC1 763750528 OOQVTRLMDZCTCR-LDYMZIIASA-N 239.275 -0.094 50 20 BBGD CCNC(=O)NNC(=O)[C@]1(O)CCSC1 765683732 KMRJMQVDURCWQA-QMMMGPOBSA-N 233.293 -0.795 50 20 BBGD O=C(Cn1cnnn1)NNc1cccc(F)n1 804771977 WBWUQVYADGVHQZ-UHFFFAOYSA-N 237.198 -0.650 50 20 BBGD CCN(CCO)NC(=O)c1cc(=O)cc[nH]1 823377053 NKYCHKWPXDUUJI-UHFFFAOYSA-N 225.248 -0.666 50 20 BBGD C[C@H](CO)N(C)NC(=O)c1cc(=O)cc[nH]1 823384031 ABJLBBUYHOPLBQ-SSDOTTSWSA-N 225.248 -0.668 50 20 BBGD C[C@H](CO)N(C)NC(=O)C[C@@](C)(O)C1CC1 823939337 JEAXWHBGPISWML-LDYMZIIASA-N 230.308 -0.119 50 20 BBGD C[C@@H]1CC(=NNC(=O)NCC(=O)O)CN1C 833585625 APECUAQUCKIRTD-ZCFIWIBFSA-N 228.252 -0.550 50 20 BBGD CC1=NO[C@@H](C(=O)NNC(=O)c2cc[nH]n2)C1 855356773 XXBCAKOWKKDDGX-SSDOTTSWSA-N 237.219 -0.665 50 20 BBGD C=C[C@H](CO)NC(=O)/C(C#N)=C\c1cnn(C)c1 856275567 DWTZPPGWMAHDTC-NEOSZVFXSA-N 246.270 -0.010 50 20 BBGD CCO/C=C(/C#N)C(=O)NC[C@@H]1COCO1 861974485 PCBBCFOPMXHOID-BZJXQOFCSA-N 226.232 -0.081 50 20 BBGD CC(=O)N[C@H](C)C(=O)NN=c1cc[nH]c(C)c1 862507884 FOFSDIRDSYXQBU-MRVPVSSYSA-N 236.275 -0.220 50 20 BBGD Cc1cc(=NNC(=O)[C@@H]2CCC(=O)NC2)cc[nH]1 862510472 IGVBEYLMFAQAHH-SECBINFHSA-N 248.286 -0.219 50 20 BBGD OB(O)c1ccccc1CNC[C@H]1C[C@@H](O)C1 863892210 PMCGZVAOSZHPBD-JGZJWPJOSA-N 235.092 -0.773 50 20 BBGD CC[C@@H](C)C(=O)NNC(=O)COCCOC 869910878 NNENHNGJWTXVCD-MRVPVSSYSA-N 232.280 -0.157 50 20 BBGD CC[C@H](NNC(=O)COCCOC)C(=O)OC 871899937 PMOYWUCHIINDLG-QMMMGPOBSA-N 248.279 -0.778 50 20 BBGD CCO/C=C(/C#N)C(=O)N1CCCNC(=O)C1 874858694 JTAMNLXOUYYZCI-HJWRWDBZSA-N 237.259 -0.221 50 20 BBGD CCC(=O)NNS(=O)(=O)C1(COC)CC1 882663204 KCVLUYVHUAEMLM-UHFFFAOYSA-N 236.293 -0.474 50 20 BBGD C#CCCCC(=O)NNC(=O)c1cc(=O)cc[nH]1 887152980 CUXFBQWFABGMPE-UHFFFAOYSA-N 247.254 -0.061 50 20 BBGD COC(=O)N(C)NC(=O)N[C@@H]1C[C@H](C)OC1=O 896373403 RYUBCADWHBKGDD-NTSWFWBYSA-N 245.235 -0.397 50 20 BBGD Cc1n[nH]cc1C(=O)NNC(=O)NC1CC1 1318030321 SHELUCQFRTVKEA-UHFFFAOYSA-N 223.236 -0.175 50 20 BBGD Cc1cc(NNC(=O)C2(C(N)=O)CC2)ncn1 1318846194 AMJQSBGLPHYJMS-UHFFFAOYSA-N 235.247 -0.506 50 20 BBGD CCNC(=O)NNC(=O)c1conc1C 1351755531 DGZLEOKGXMHHKL-UHFFFAOYSA-N 212.209 -0.053 50 20 BBGD CCCNNC(=O)c1cc2c(=O)[nH]c(C)cn2n1 1577574856 WJLCMFBDABBIQQ-UHFFFAOYSA-N 249.274 -0.025 50 20 BBGD Cn1cc(/C=C(\C#N)C(=O)NC2(C)CNC2)cn1 1579958801 JDMZZMYERHTGSD-XCVCLJGOSA-N 245.286 -0.195 50 20 BBGD O=C(NC[C@H](F)C(=O)O)NNc1cccnn1 1601522266 YZWVEXWRTSBQNI-YFKPBYRVSA-N 243.198 -0.475 50 20 BBGD Cc1cc(C)nc(NNC(=O)[C@H](C)N)n1 195124962 YZXATGFKKGNXPY-ZETCQYMHSA-N 209.253 -0.116 50 20 BBGD C[C@H]1OC(=O)N[C@H]1C(=O)NNc1ncccn1 497100047 PYCMRYWMEMLLPT-PHDIDXHHSA-N 237.219 -0.583 50 20 BBGD O=C(CC[C@H]1CCO1)Nc1cccc(B(O)O)c1 584912848 WKJMPOSADXSMJA-NSHDSACASA-N 249.075 -0.126 50 20 BBGD O=C(COc1ccccc1F)NCB(O)O 585056471 PBBAVLNIYSUEAO-UHFFFAOYSA-N 227.000 -0.667 50 20 BBGD CC(C)C(=O)NNC(=O)[C@@H]1C[C@H]1C(=O)O 736347685 WSJJKPRVOUSCFS-PHDIDXHHSA-N 214.221 -0.490 50 20 BBGD CC(C)C=NNC(=O)[C@@H](C)NS(C)(=O)=O 755700099 VZIQBVQUCTYKLZ-SSDOTTSWSA-N 235.309 -0.318 50 20 BBGD CN1CC[C@@H](C(=O)NNC(=O)C2CCC2)C1=O 772949980 YYOPXVPYEKHXSJ-QMMMGPOBSA-N 239.275 -0.588 50 20 BBGD CN(C)CC(=O)NN=Cc1cn(C)cn1 794505451 BWAUIOXBJBPDGF-UHFFFAOYSA-N 209.253 -0.568 50 20 BBGD CC(C)C(=O)NNC(=O)[C@H](O)C(C)C 794776459 RVIJVDIEHUBCLA-SSDOTTSWSA-N 202.254 -0.193 50 20 BBGD CN(NC(=O)c1c[nH]c(C(N)=O)c1)C1CC1 819647940 UKSNCWGCUYZFBZ-UHFFFAOYSA-N 222.248 -0.147 50 20 BBGD Cc1cnn(CCC(=O)NN(C)[C@@H](C)CO)c1 823965892 VFBCUSVRVCQSCE-JTQLQIEISA-N 240.307 -0.075 50 20 BBGD CC(=O)NNC(=O)c1cncc(C(=O)O)c1 833397837 MJIDYOJYUFWVMQ-UHFFFAOYSA-N 223.188 -0.439 50 20 BBGD COC[C@](C)(O)C(=O)NN=c1cc[nH]c(C)c1 862512999 NSAIEWYBJGBBML-NSHDSACASA-N 239.275 -0.348 50 20 BBGD C[C@H]1C[C@@H]1C(=O)NNC(=O)c1cccnn1 863866024 GQHQMOOPHJVUGJ-BQBZGAKWSA-N 220.232 -0.106 50 20 BBGD Cc1cc(NNC(=O)[C@H]2CCCNC2=O)ncn1 896383074 LPVFDEHCXADRLP-QMMMGPOBSA-N 249.274 -0.246 50 20 BBGD C=C[C@](C)(O)CC(=O)NN(C)C[C@H](C)O 910151917 HCFHJRJWJITVSD-WPRPVWTQSA-N 216.281 -0.343 50 20 BBGD CCNC(=O)NNC(=O)[C@H](C)n1cncn1 1116433189 UCKSEAKAFQYEAY-LURJTMIESA-N 226.240 -0.811 50 20 BBGD CC(=O)NNC(=O)c1ccc2nnc(O)n2c1 1117738519 LOCFFWMMQBHJTA-UHFFFAOYSA-N 235.203 -0.784 50 20 BBGD CS(=O)(=O)CCC(=O)NNc1ncccn1 1317895279 HULKZHNTIWSYJG-UHFFFAOYSA-N 244.276 -0.646 50 20 BBGD Cc1nnc(NNC(=O)[C@@H]2CCCO2)nc1O 1318108235 ZPRXVPICEMBBNE-LURJTMIESA-N 239.235 -0.492 50 20 BBGD C[C@@H]1COC(=O)C1=NNC(=O)CCO 1340937544 ANOVDIHNJDGSFH-RXMQYKEDSA-N 200.194 -0.966 50 20 BBGD CC(=O)NNC(=O)C(=O)Nc1cc(C)ns1 1347941722 QFMNEVKSRBNMKA-UHFFFAOYSA-N 242.260 -0.443 50 20 BBGD COCCN(C)NC(=O)c1cc(N)ccn1 1520165606 OGILQCIWYQVSNS-UHFFFAOYSA-N 224.264 -0.113 50 20 BBGD CN(C)C(=O)NNC(=O)C1(C(=O)O)CCC1 1593687411 RWLWDIPGKMLVAU-UHFFFAOYSA-N 229.236 -0.456 50 20 BBGD CC(=O)NNC(=O)CNC(=O)c1ccoc1C 48823295 MMMLJLDZGPZMSW-UHFFFAOYSA-N 239.231 -0.515 50 20 BBGD O=C(NNC(=O)c1cc[nH]n1)NC1CC1 49150454 ZZKIHHUERRTQJF-UHFFFAOYSA-N 209.209 -0.484 50 20 BBGD Cc1cnccc1NC(=O)NNC(=O)CCO 127533319 MUIWPMNNQHYXRI-UHFFFAOYSA-N 238.247 -0.075 50 20 BBGD O=C(CO)NNC(=O)COc1ccc(F)cc1 180944976 CNTGJZNKYKXGNB-UHFFFAOYSA-N 242.206 -0.656 50 20 BBGD CCN1C(=O)[C@H]2CN(C(=O)CCl)C[C@@H]2C1=O 409424052 BBXSSGRYLJUNFL-BQBZGAKWSA-N 244.678 -0.312 50 20 BBGD O=C(/C=C\c1ccc[nH]1)NNC(=O)CO 492990224 GJQGPGACOJUMJZ-ARJAWSKDSA-N 209.205 -0.832 50 20 BBGD O=C(c1ccc(B(O)O)cc1)N1CC[C@H]2C[C@@H]2C1 585005732 LLZJRCXRDQICLF-WDEREUQCSA-N 245.087 -0.152 50 20 BBGD CC[C@H](CNCc1ccccc1B(O)O)OC 585040172 AXSWOKITZMNTPM-LLVKDONJSA-N 237.108 -0.119 50 20 BBGD CN(NC(=O)[C@@H](O)c1ccccc1)C(N)=O 778412291 RGANVWUIVFAYPU-QMMMGPOBSA-N 223.232 -0.238 50 20 BBGD CN(C)CC(=O)NNC(=O)c1cccc(C#N)n1 810334071 SEMGCPHMBLKZJW-UHFFFAOYSA-N 247.258 -0.724 50 20 BBGD Cc1c[nH]nc1C=NNC(=O)CN1CCCC1=O 814760982 KJXXEQKVUXXICR-UHFFFAOYSA-N 249.274 -0.209 50 20 BBGD CCCCNC(=O)NNC(=O)C[C@H]1CC(=O)N1 823763367 UQHJPIJOWCPKLO-SSDOTTSWSA-N 242.279 -0.605 50 20 BBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)N1CCC1 827274596 PQJISVVIWCRSFS-HTQZYQBOSA-N 227.264 -0.142 50 20 BBGD CCNC(=O)N(C)NC(=O)[C@@H](O)C1CC1 831853976 MJWHYYUJFBRQRK-ZETCQYMHSA-N 215.253 -0.550 50 20 BBGD CC(=NNC(=O)CS(C)(=O)=O)[C@@H]1CCOC1 863189406 LICKKNMQRVBEDB-MRVPVSSYSA-N 248.304 -0.440 50 20 BBGD CN(NC(=O)CCN1CCCC1=O)C(N)=O 1319725974 AWTDQIPRDUAMSU-UHFFFAOYSA-N 228.252 -0.959 50 20 BBGD COCCN(C)NC(=O)c1ccc[n+]([O-])c1 1329918465 SCIGFNPXYQIOOM-UHFFFAOYSA-N 225.248 -0.457 50 20 BBGD CNC(=O)NNC(=O)CCc1cn[nH]c1 1332389940 BLSTUDFZZGQOPY-UHFFFAOYSA-N 211.225 -0.698 50 20 BBGD CN1CCC[C@@H]1C(=O)NNc1ccn(C)n1 1334472902 SOSUGBLAFQOIIO-MRVPVSSYSA-N 223.280 -0.043 50 20 BBGD CCNC(=O)NNC(=O)[C@H](C(=O)O)C(C)C 1589909603 UGIUFAJNLMHISG-ZCFIWIBFSA-N 231.252 -0.307 50 20 BBGD C[C@H](CO)N(C)NC(=O)[C@H]1C[C@H]1C(=O)O 1592762537 TWBLFOZXWCHVMD-DSYKOEDSSA-N 216.237 -0.949 50 20 BBGD NNC(=O)CCNC(=O)c1cccs1 36962687 YXXKJOMRUWEOPW-UHFFFAOYSA-N 213.262 -0.142 50 20 BBGD CC[C@H](C(=O)NN(C)C(N)=O)N1CCCC1=O 179695142 VRVYAQWXWMFWGC-SSDOTTSWSA-N 242.279 -0.571 50 20 BBGD C=CCCS(=O)(=O)NNC(=O)[C@@H]1CCCO1 292076867 MAOLKQHTXIAWIN-QMMMGPOBSA-N 248.304 -0.308 50 20 BBGD C[C@@H](C(=O)NNC(=O)N(C)C)n1cccn1 299325463 ARUJWXIJQKRQPY-ZETCQYMHSA-N 225.252 -0.254 50 20 BBGD CN1CC[C@H](C(=O)Nc2cccc(B(O)O)c2)C1 404959049 JLBUWLMMRMPKRA-VIFPVBQESA-N 248.091 -0.743 50 20 BBGD COC(=O)NNC(=O)Nc1ccncn1 492793857 RRDQWHMGOLVKAW-UHFFFAOYSA-N 211.181 -0.131 50 20 BBGD CC(C)[C@@H](O)CCNCc1ccc(B(O)O)o1 585028554 KYTMKRGOMQASTL-JTQLQIEISA-N 241.096 -0.544 50 20 BBGD OB(O)c1ccc(CN[C@@H]2CCC[C@@H]2F)o1 585043887 VYWMLFUDCPYWBH-DTWKUNHWSA-N 227.044 -0.060 50 20 BBGD O=C(NCB(O)O)c1ccc(N2CCCC2)nc1 585061247 NOZQJSVSANNSRZ-UHFFFAOYSA-N 249.079 -0.576 50 20 BBGD CN(C)c1cccc(C(=O)NCB(O)O)c1 585062891 PGWYQCXSHHEABQ-UHFFFAOYSA-N 222.053 -0.506 50 20 BBGD Cn1cc(CN2CC[C@@H](B(O)O)C2)cn1 585077056 QMYCFRCYWRDXGG-SECBINFHSA-N 209.058 -0.531 50 20 BBGD O=C(O)[C@H]1C[C@@H]1C(=O)NNc1ncccn1 739548625 PTBNFPLFZFCODB-WDSKDSINSA-N 222.204 -0.360 50 20 BBGD CC(C)OCC(=O)NNC(=O)N(C)C 746014294 DGLLFOCOOGCFAQ-UHFFFAOYSA-N 203.242 -0.286 50 20 BBGD O=C(CCn1ccnc1)NNC(=O)C1CC1 751291408 UQFKDYPUAVWKPH-UHFFFAOYSA-N 222.248 -0.169 50 20 BBGD Cc1noc(C(C)C)c1C(=O)NNC(=O)CO 753440294 ZOXUIYBRVJGJFT-UHFFFAOYSA-N 241.247 -0.140 50 20 BBGD C[C@H]1CC/C(=C/C(=O)NNC(=O)CO)C1 753445044 DQELOQGODDDNJA-BJMRUTCWSA-N 212.249 -0.128 50 20 BBGD NC(=O)c1ccc(NNC(=O)C2CC=CC2)nn1 757403632 DQIFDIYYLXCUAO-UHFFFAOYSA-N 247.258 -0.015 50 20 BBGD O=C(NNC(=O)[C@]1(O)CCSC1)C1CC1 765520770 NFLPDIXLCMMDGC-VIFPVBQESA-N 230.289 -0.588 50 20 BBGD CCNC(=O)N(C)NC(=O)[C@@H]1CCCN1C 768409783 KZHUXVMNBRZQFR-QMMMGPOBSA-N 228.296 -0.227 50 20 BBGD O=C(CO)NN=C1C(=O)Nc2c(F)cccc21 776780438 IZIMKOQORFGZFC-UHFFFAOYSA-N 237.190 -0.410 50 20 BBGD COC(=O)CNC(=O)NN=C1CCO[C@@H]1C 779815795 AUYJLRVHUPWABD-ZCFIWIBFSA-N 229.236 -0.377 50 20 BBGD COCCN(C)NC(=O)CN(C)C(C)=O 808075409 YBQGHHHGTGMZOD-UHFFFAOYSA-N 217.269 -0.926 50 20 BBGD C[C@@H](CC(=O)NN(C)C(N)=O)n1cccn1 819449618 NTWREZVXGCFPKE-ZETCQYMHSA-N 225.252 -0.124 50 20 BBGD CCc1ncncc1C(=O)NN(C)[C@H](C)CO 823971805 ZLPGULUGKLLNHH-MRVPVSSYSA-N 238.291 -0.004 50 20 BBGD O=C(NNc1cnccn1)C1(n2cnnn2)CC1 832395839 VDEVIJTXGNZVJR-UHFFFAOYSA-N 246.234 -0.905 50 20 BBGD CC(C)Cc1c[nH]c(C(=O)NNC(=O)CO)c1 839720897 LSVACDHXRBXQPS-UHFFFAOYSA-N 239.275 -0.034 50 20 BBGD CCO[C@@H]1CC(=NNC(=O)CN(C)C)[C@H]1OC 841627691 ZPPOBKYXSGPJRL-MWLCHTKSSA-N 243.307 -0.156 50 20 BBGD CNC(=S)N(C)NC(=O)Cn1cc(C)cn1 854925791 MRAOZGHOPVGWRO-UHFFFAOYSA-N 241.320 -0.341 50 20 BBGD CCn1cc(C(=O)NNC(C)=O)c(C)n1 858108500 BFQUVBQGJVNXLF-UHFFFAOYSA-N 210.237 -0.008 50 20 BBGD C=C[C@@](C)(O)CC(=O)NNC(=O)c1cn[nH]c1 862469962 GKRDJYCXIYYYPC-SNVBAGLBSA-N 238.247 -0.502 50 20 BBGD CCO/C=C\C(=O)NNC(=O)COCCOC 869906391 URKWDHKPJLEUOX-PLNGDYQASA-N 246.263 -0.653 50 20 BBGD C[C@H](O)CN(C)NC(=O)[C@@H]1C[C@H]2CC(=O)[C@@H]1C2 910150759 VUZGKCWFEUMOMD-AXTSPUMRSA-N 240.303 -0.055 50 20 BBGD O=C(NC1CSC1)c1ccc(B(O)O)cc1 912817877 AUEOBXXLEHTPBS-UHFFFAOYSA-N 237.089 -0.788 50 20 BBGD CCC(=O)N1CCC[C@@H](C(=O)NNC(C)=O)C1 920429959 IOYRJNBPRDJCQD-SECBINFHSA-N 241.291 -0.198 50 20 BBGD CCS(=O)(=O)CC(C)=NNC(=O)CCO 1116198915 AGVRJVBKWRJCNQ-UHFFFAOYSA-N 236.293 -0.704 50 20 BBGD CC(C)C(=O)NNC(=O)CO[C@H]1CCOC1 1252538229 VNIIVGBULBPCBJ-QMMMGPOBSA-N 230.264 -0.405 50 20 BBGD CC(C)NC(=S)NNC(=O)c1cnc[nH]1 1318618747 CNCKZSLRQLWPKT-UHFFFAOYSA-N 227.293 -0.073 50 20 BBGD CCC(C)(C)CNC(=O)NNC(=O)C(=O)OC 1324591380 CXVAFLLXAOFNDE-UHFFFAOYSA-N 245.279 -0.074 50 20 BBGD C[C@@H](CO)N(C)NC(=O)CCc1ncccn1 1330262328 UEJBLDYIBYVIGP-VIFPVBQESA-N 238.291 -0.247 50 20 BBGD O=C(C#CC1CC1)NNC(=O)C1CCOCC1 1335190123 GODRELZPMGUTBZ-UHFFFAOYSA-N 236.271 -0.026 50 20 BBGD N#CC1=CCN(C(=O)Cn2cnc(N)n2)CC1 1466141029 IDSBVXJUFFGTAA-UHFFFAOYSA-N 232.247 -0.457 50 20 BBGD Cc1ccc(C(=O)NNC(=O)[C@H]2CCN2)cc1O 1579663641 CUUGWSDQZPRIPI-SECBINFHSA-N 249.270 -0.176 50 20 BBGD COCCN(C)NC(=O)[C@]1(C(=O)O)C[C@H]1C 1593995597 JPECVEIUMRRIFY-XCBNKYQSSA-N 230.264 -0.293 50 20 BBGD CCC(=NNC(=O)C(=O)O)c1cnn(C)c1 1594693878 FQEUETWZYDLRCW-UHFFFAOYSA-N 224.220 -0.265 50 20 BBGD CC(C)(O)C(=O)NNC(=O)C1(C(=O)O)CCC1 1602953678 IQEALQKHCPRFHA-UHFFFAOYSA-N 244.247 -0.840 50 20 BBGD O=C(CO)NNC(=O)[C@H]1CCC[C@H](C(=O)O)C1 1608342522 DASDXRGDALNCNT-BQBZGAKWSA-N 244.247 -0.983 50 20 BBGD COCC(=O)NN=Cc1ccc(C(=O)O)nc1 1776048603 JZLZBIDFFJWCTH-UHFFFAOYSA-N 237.215 -0.124 50 20 BBGD COc1ccnc(NNC(=O)C2(O)CCC2)n1 184644184 QXLOXOZGWZMYOM-UHFFFAOYSA-N 238.247 -0.157 50 20 BBGD COC(=O)[C@H]1CC[C@H]1C(=O)NNC(=O)C1CC1 285303146 YGZDFZUBIPMBOD-SFYZADRCSA-N 240.259 -0.257 50 20 BBGD O=C(Nc1cccc(B(O)O)c1)[C@H]1CCCCO1 404988268 YCULQLCSFCCNTD-LLVKDONJSA-N 249.075 -0.126 50 20 BBGD CCNC(=O)N(C)NC(=O)CCNC(=O)OC 495276691 PRQKZCHYIMSOGV-UHFFFAOYSA-N 246.267 -0.575 50 20 BBGD OC[C@@H](CC(F)F)NCc1ccc(B(O)O)o1 585037577 CGOIWHLECZYUSU-ZCFIWIBFSA-N 249.022 -0.935 50 20 BBGD Cc1nnc(N2CC[C@H](B(O)O)C2)nc1C 585079243 VUPZTPQIEXGKBT-QMMMGPOBSA-N 222.057 -0.458 50 20 BBGD COCCC(=O)NNC(=O)c1cnn(C)c1 735446303 MPCXYZNVUKDKEP-UHFFFAOYSA-N 226.236 -0.782 50 20 BBGD Cc1ccc([C@H](C)C(=O)NNC(=O)CO)o1 753438481 GGADXJDJRUHVAO-ZETCQYMHSA-N 226.232 -0.169 50 20 BBGD CN1CCC(=NNC(=O)C(C)(C)O)C1=O 761831690 TUNHBFKHXCMYNV-UHFFFAOYSA-N 213.237 -0.908 50 20 BBGD CC(C)(O)C(=O)NNC(=O)c1cocn1 768245573 VTBMDUJBAYUILZ-UHFFFAOYSA-N 213.193 -0.794 50 20 BBGD COC(=O)c1cccc(NNC(=O)CO)c1 781042849 QSMPNTUMCPAXOF-UHFFFAOYSA-N 224.216 -0.091 50 20 BBGD Cn1ncc(C(=O)NNC(=O)c2ccccc2)n1 785668730 NHMAOXPFUWFGLD-UHFFFAOYSA-N 245.242 -0.110 50 20 BBGD CC(C)C(=O)NNC(=O)CC1OCCCO1 792810367 WPTXMLFHMVQAJH-UHFFFAOYSA-N 230.264 -0.057 50 20 BBGD CCNC(=O)NNC(=O)[C@](C)(O)C1CCC1 813423903 CUWJDJPLDQIUOG-SNVBAGLBSA-N 229.280 -0.112 50 20 BBGD Cc1c(C(=O)NN(C)C2CC2)nnn1C 819648797 SFSZVNRVQFBPMT-UHFFFAOYSA-N 209.253 -0.137 50 20 BBGD COC(=O)C[C@H](C)CC(=O)NN(C)[C@H](C)CO 823924228 YQQOAOKCHDCZLF-RKDXNWHRSA-N 246.307 -0.081 50 20 BBGD COCCN(C)NC(=O)c1n[nH]cc1C 848056654 DQXGCZLIXKVLRF-UHFFFAOYSA-N 212.253 -0.059 50 20 BBGD CC(=NNC(=O)[C@H]1CCC(=O)N1)[C@@H]1CCCO1 863147538 IJGGCHWZHVHJOD-BDAKNGLRSA-N 239.275 -0.064 50 20 BBGD CC1(C)OCCC1=NNC(=O)CS(C)(=O)=O 863185877 GBNZBPOZAZICJR-UHFFFAOYSA-N 248.304 -0.298 50 20 BBGD CCOCC(=O)NNC(=S)N[C@H](C)COC 913514781 FZODASGTICEMHZ-SSDOTTSWSA-N 249.336 -0.447 50 20 BBGD CC(=NNC(=O)C(N)=O)c1cc(C)nn1C 1117045123 IPGCQTJPFNTQLN-UHFFFAOYSA-N 223.236 -0.946 50 20 BBGD CC(C)(C)C(=O)NNC(=O)CO[C@@H]1CCOC1 1318973001 FWLGEJWDEJPFCU-MRVPVSSYSA-N 244.291 -0.015 50 20 BBGD CCn1cnc(C(=O)NNc2nc[nH]n2)c1 1329573029 GJVZDCYXKLCWBD-UHFFFAOYSA-N 221.224 -0.222 50 20 BBGD C[C@@H](CO)N(C)NC(=O)[C@H](C)n1ccnc1 1329807047 POPICHUNRFUCEK-IUCAKERBSA-N 226.280 -0.212 50 20 BBGD O=C(NNC(=O)C(=O)O)N[C@H]1[C@H]2CCC[C@H]21 1601553259 ZMFKVWXPQLTZHE-FPFOFBBKSA-N 227.220 -0.800 50 20 BBGD C[C@@]1(NNC(=O)NC2CC2)CCS(=O)(=O)C1 42933307 TYBHEMMXQSNYJT-SECBINFHSA-N 247.320 -0.470 50 20 BBGD CCC(=O)NNC(=O)[C@H](C)N(C)CCCOC 109834401 MTSIWAKTRKSRCJ-VIFPVBQESA-N 245.323 -0.099 50 20 BBGD O=C(Cn1cnnn1)NNC(=O)c1ccccc1 120121205 BAPLIPJPIKHBFB-UHFFFAOYSA-N 246.230 -0.866 50 20 BBGD Nc1cc(C(F)(F)F)c(B(O)O)cn1 170022859 BFGHJUHRLUFXHE-UHFFFAOYSA-N 205.932 -0.638 50 20 BBGD OC[C@@H]1CC[C@H](NCc2cccc(B(O)O)c2)C1 585042852 DZFDDYRZXSSZPF-YPMHNXCESA-N 249.119 -0.383 50 20 BBGD CO[C@@H]1CCC[C@H]1NCc1ccc(B(O)O)o1 585043826 SQDSLGDXKYYGMV-NXEZZACHSA-N 239.080 -0.384 50 20 BBGD CC[C@@H]1COC[C@H]1NCc1ccc(B(O)O)cc1 585047168 JIGSMGSFEYXVSY-DGCLKSJQSA-N 249.119 -0.119 50 20 BBGD CC1(CS(=O)(=O)NCB(O)O)CCCCC1 585059612 UUWSKSMYTOUEHS-UHFFFAOYSA-N 249.141 -0.112 50 20 BBGD COc1ccccc1NCC(=O)NCB(O)O 585060356 FFRCNNVGUSBBCO-UHFFFAOYSA-N 238.052 -0.765 50 20 BBGD CCC(=O)NNC(=S)NCC(=O)NC(C)C 727270414 LEYXKKMNYJETSX-UHFFFAOYSA-N 246.336 -0.584 50 20 BBGD C[C@H]1C[C@@H]1C(=O)NNC(=O)c1ccnnc1 756766630 QIQDVIZHOMTZPS-XPUUQOCRSA-N 220.232 -0.106 50 20 BBGD CN(NC(=O)[C@H]1C[C@]12CCOC2)C(N)=O 764296632 CXSWQZBQCYZHND-MUWHJKNJSA-N 213.237 -0.545 50 20 BBGD C=CCOCC(=O)NNC(=O)C(C)(C)O 768254811 DSYFDPDVMYCBGD-UHFFFAOYSA-N 216.237 -0.893 50 20 BBGD CNC(=O)NNC(=O)c1ccc(C)nc1OC 777368977 WADGHOJINJBLKQ-UHFFFAOYSA-N 238.247 -0.028 50 20 BBGD CCNC(=O)NNC(=O)[C@H](OC)C1CC1 792086368 VDEHKEJXXHLVIC-SSDOTTSWSA-N 215.253 -0.238 50 20 BBGD COCCN(C)NC(=O)[C@@H](C)N(C)C 822843463 NWOLWWKBTBEZBE-MRVPVSSYSA-N 203.286 -0.454 50 20 BBGD CCN(CCO)NC(=O)C1=COCCO1 823833826 KMPGDQZTGNNYLR-UHFFFAOYSA-N 216.237 -0.780 50 20 BBGD C[C@@H]1COC[C@@H]1NCc1ccccc1B(O)O 896732256 DBUQHRVYMSPBBB-SKDRFNHKSA-N 235.092 -0.509 50 20 BBGD CN(CC(=O)NNC(=O)C(C)(C)O)C1CCC1 907627609 SBIYYJKOMMBSDE-UHFFFAOYSA-N 243.307 -0.611 50 20 BBGD C[C@@H](O)CN(C)NC(=O)[C@H]1CC1(F)F 910145411 SICJARCBRMNDMT-PHDIDXHHSA-N 208.208 -0.015 50 20 BBGD CCC(=O)NNS(=O)(=O)c1cn(C)cn1 1115939643 MNFFDKLNSXGGNX-UHFFFAOYSA-N 232.265 -0.860 50 20 BBGD NC(=O)NCCC(=O)NNc1ncncc1F 1261248444 IBHCQJZMPQVIRD-UHFFFAOYSA-N 242.214 -0.883 50 20 BBGD CO[C@H](C)CC(=O)NNc1nnc(C)c(O)n1 1325124148 XBLFNMPAXIZTAR-RXMQYKEDSA-N 241.251 -0.246 50 20 BBGD Cn1cc([C@@H](O)C(=O)NNC(=O)C2CC2)cn1 1325290346 JMFHSPPQJFGIIN-MRVPVSSYSA-N 238.247 -0.989 50 20 BBGD Cn1cc(C(=O)NNc2ccccn2)nn1 1325734186 QTYDLMJWZHULBS-UHFFFAOYSA-N 218.220 -0.033 50 20 BBGD COC(=O)N(C)NC(=O)c1c(CO)noc1C 1329905399 QGSAYVKNAGVOER-UHFFFAOYSA-N 243.219 -0.182 50 20 BBGD Cn1nncc1NNC(=O)[C@H]1C[C@]12CCOC2 1331130752 HJVQOADSJWBGHI-XCBNKYQSSA-N 237.263 -0.315 50 20 BBGD COC(=O)C(=O)NNC(=O)NCCC(C)(C)F 1333797881 DRFMWVHQHRHQFH-UHFFFAOYSA-N 249.242 -0.372 50 20 BBGD CCO/C=C(\C#N)C(=O)NCc1cnnn1C 1347516600 ZLAZBHDHWDFGRK-BQYQJAHWSA-N 235.247 -0.125 50 20 BBGD Cc1ncc(CC(=O)NNC(=O)[C@@H]2CCN2)o1 1579875593 CTVLNHZZNAVKHG-QMMMGPOBSA-N 238.247 -0.965 50 20 BBGD CO[C@](C)(C(=O)O)C(=O)NNC(=O)C1CCC1 1593926529 JVQRKERNZAWKCZ-JTQLQIEISA-N 244.247 -0.576 50 20 BBGD O=C(NNC(=O)C(=O)O)NOC/C=C\Cl 1601552899 MVWUZGYNISBCPC-UPHRSURJSA-N 237.599 -0.915 50 20 BBGD CC(C)N1CC(=NNC(=O)C(=O)O)[C@H](C)C1 1604786709 PKNCJCSVHVZJSY-SSDOTTSWSA-N 227.264 -0.097 50 20 BBGD CNC(=O)NNC(=O)c1cnc2[nH]nc(C)c2c1 48950777 MKMHSELEUWYUCV-UHFFFAOYSA-N 248.246 -0.160 50 20 BBGD CN(CCS(C)(=O)=O)C(=O)CCl 86854799 REVUAUOFNMNXDP-UHFFFAOYSA-N 213.686 -0.272 50 20 BBGD O=C1NC(=O)[C@@H]2CN(C(=O)CCl)CC[C@H]12 409429362 RBAGFLDBLNVPRQ-NTSWFWBYSA-N 230.651 -0.654 50 20 BBGD COC(=O)NCCC(=O)NNC(=O)CC1CC1 496986818 QKLIOPCDNJBXCM-UHFFFAOYSA-N 243.263 -0.320 50 20 BBGD O=C(NCB(O)O)C1[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]12 585059785 BFZIUIUEQXRHQY-RULNZFCNSA-N 209.054 -0.593 50 20 BBGD CC(C)(C)n1nnc(C=NNC(N)=O)n1 697252706 JXYMQSLDCJZTIZ-UHFFFAOYSA-N 211.229 -0.570 50 20 BBGD Cn1cc(C(=O)NNC(=O)C2(C#N)CCC2)cn1 736021457 KTGVFQMPFRGTTB-UHFFFAOYSA-N 247.258 -0.125 50 20 BBGD O=C(NNC(=O)[C@H]1C[C@@]12CCOC2)C1CC1 763724196 XIVQJLHHSAUFKK-LDYMZIIASA-N 224.260 -0.030 50 20 BBGD CCC(=O)NNC(=O)[C@H](C)N1C[C@H](C)[C@@H](O)C1 768765756 GYLFEXNEXLMORT-CIUDSAMLSA-N 243.307 -0.755 50 20 BBGD CCN(CCO)NC(=O)c1cnn2cccnc12 823842694 VHPSWONXWDLTHG-UHFFFAOYSA-N 249.274 -0.312 50 20 BBGD CCN(CCO)NC(=O)[C@@H](O)c1ccccn1 823879550 OUERXAHENJUKGN-JTQLQIEISA-N 239.275 -0.540 50 20 BBGD O=C(NNc1ncc(F)cn1)[C@H](O)C1CC1 831352049 TWHVUSWGXPCLGV-SSDOTTSWSA-N 226.211 -0.170 50 20 BBGD O=C(NNC(=O)[C@@H]1COCCO1)c1ccc[nH]1 915051998 CPQAYALCQLGHLN-QMMMGPOBSA-N 239.231 -0.809 50 20 BBGD CN(NC(=O)c1cccc(F)n1)C(N)=O 1319991760 FEURUIAWMLLUFF-UHFFFAOYSA-N 212.184 -0.124 50 20 BBGD COCc1nocc1C(=O)NNC(C)=O 1324070233 QLKNRAPZKPWZSH-UHFFFAOYSA-N 213.193 -0.398 50 20 BBGD Cc1nnc(CC(=O)NNC(=O)N(C)C)s1 1327871155 BEULAMRCZJKZEP-UHFFFAOYSA-N 243.292 -0.309 50 20 BBGD Cc1ccc(C=NNC(=O)[C@@H]2CCC(=O)N2)nn1 1329556529 HMYFDSNAMTWJTE-VIFPVBQESA-N 247.258 -0.486 50 20 BBGD CC(=O)CSCC(=O)NNC(=O)N(C)C 1339392538 IRQSPUOVBBJWKX-UHFFFAOYSA-N 233.293 -0.389 50 20 BBGD COC(=O)NNC(=O)c1csc(C(=O)O)n1 1598884305 TWKRSWLTGJPHLT-UHFFFAOYSA-N 245.216 -0.158 50 20 BBGD O=C(NNc1ncncc1F)[C@H]1C[C@H]1C(=O)O 1601562971 DIBHIZUDZWQKOP-CRCLSJGQSA-N 240.194 -0.221 50 20 BBGD Cc1n[nH]c(C)c1C=NNC(=O)C(=O)O 1610550621 JHJUMWKQWIAMDG-UHFFFAOYSA-N 210.193 -0.439 50 20 BBGD COCCn1cc(NC(=O)NNC(C)=O)cn1 48768056 XUSICRYWTSZCMB-UHFFFAOYSA-N 241.251 -0.298 50 20 BBGD CNC(=O)NNC(=O)c1cnn(C)c1C1CC1 141137037 KLFMLDMUWDSUML-UHFFFAOYSA-N 237.263 -0.129 50 20 BBGD C=CCNC(=S)NNC(=O)[C@@H](O)C(C)C 291517173 YMYMIUJBGUJQGV-ZETCQYMHSA-N 231.321 -0.315 50 20 BBGD O=C(N[C@@H]1CC[C@@H]2C[C@@H]21)c1cccc(B(O)O)c1 584986545 ZOAAMVLMBIWGSK-JFUSQASVSA-N 245.087 -0.105 50 20 BBGD OB(O)c1ccc(CNCCc2cnccn2)o1 585038871 LZCDIXUEGINNGQ-UHFFFAOYSA-N 247.063 -0.918 50 20 BBGD O=C(NCB(O)O)C1(c2ccc(F)cc2)CC1 585056294 SFGBSZKEPGBMRQ-UHFFFAOYSA-N 237.039 -0.015 50 20 BBGD O=S(=O)(CCl)NCC1(CO)COC1 717612990 LNWLSYKHGDFDFR-UHFFFAOYSA-N 229.685 -0.889 50 20 BBGD Cn1ccc(C(=O)NNC(=O)C2CC2)n1 727364569 YBBLEDXXLOJMQY-UHFFFAOYSA-N 208.221 -0.409 50 20 BBGD C[C@H]1CCCC[C@H]1OCC(=O)NNC(=O)CO 753439226 WKUXVYIAKKQKBR-DTWKUNHWSA-N 244.291 -0.279 50 20 BBGD C[C@H]1CCCC[C@@H]1OCC(=O)NNC(=O)CO 753439228 WKUXVYIAKKQKBR-IUCAKERBSA-N 244.291 -0.279 50 20 BBGD CN1CCO[C@@H](C(=O)NNc2cccnn2)C1 754420585 PVLZUVPPYNKWCF-MRVPVSSYSA-N 237.263 -0.750 50 20 BBGD CC[C@H](C(=O)NNC(=O)NC1CC1)N(C)C 765118596 MWXGDGCQBTVYOB-MRVPVSSYSA-N 228.296 -0.181 50 20 BBGD Cc1cc(C)nc(NNC(=O)c2cnn(C)n2)n1 785765712 AQZJAWBMUYSXFC-UHFFFAOYSA-N 247.262 -0.021 50 20 BBGD C[C@@H]1C(=NNC(=O)C(N)=O)CC[C@H]1CC(=O)O 814696312 CUPOTKOSJRBDGZ-WDSKDSINSA-N 241.247 -0.535 50 20 BBGD CCN(CCO)NC(=O)[C@@H](O)CCSC 823869540 LHPVDARLXKBEER-QMMMGPOBSA-N 236.337 -0.554 50 20 BBGD CC(C)[C@H](NC=O)C(=O)NNC(=O)C(C)(C)C 858525084 YSUCLBATSUVWOR-QMMMGPOBSA-N 243.307 -0.050 50 20 BBGD C=C[C@](C)(O)C(=O)NN(C)C[C@H](C)O 910150964 XQENFBMSWSYFAY-CBAPKCEASA-N 202.254 -0.733 50 20 BBGD C=CCNC(=O)NNC(=O)C1CCOCC1 1333150316 XIWUEOZPOXLYNQ-UHFFFAOYSA-N 227.264 -0.071 50 20 BBGD COCC(=O)NNC(=O)Cc1cc(C)[nH]n1 1335713491 MZVMWMZFBRGIQS-UHFFFAOYSA-N 226.236 -0.946 50 20 BBGD CN(NC(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21)C(N)=O 1353630841 MUXKKXZYIBUSHU-BIIVOSGPSA-N 243.263 -0.920 50 20 BBGD C=CCNC(=S)NNC(=O)NCC 64937100 PWKCUUXLBSFVMB-UHFFFAOYSA-N 202.283 -0.129 50 20 BBGD Cn1cccc1C(=O)NNC(=O)[C@H]1CCOC1 66942219 OOLQMDQGQPZBQR-QMMMGPOBSA-N 237.259 -0.177 50 20 BBGD COC(=O)NNC(=O)C[C@H]1CCCC(=O)N1 496191483 XZMBUJGDHXOUGK-ZCFIWIBFSA-N 229.236 -0.568 50 20 BBGD O=C(CO)NNC(=O)c1ccnc(C2CC2)n1 753438079 LIECWFWSUSJGNC-UHFFFAOYSA-N 236.231 -0.893 50 20 BBGD Cc1ccn2cc(C(=O)NNC(=O)CO)nc2c1 777781044 FPKQSQLUKFBJEP-UHFFFAOYSA-N 248.242 -0.604 50 20 BBGD C[C@H](C(=O)NNC(=O)CO)c1ccsc1 777781129 HZJZOYDYLUWEMQ-LURJTMIESA-N 228.273 -0.009 50 20 BBGD Cc1c[nH]cc(C(=O)NNC(=O)C2CC2)c1=O 777790248 RLTRBRQHTPRSBV-UHFFFAOYSA-N 235.243 -0.146 50 20 BBGD CN(NC(=O)c1ccc([N+](=O)[O-])[nH]1)C(N)=O 778418079 IMRDCJQJBXTHGC-UHFFFAOYSA-N 227.180 -0.422 50 20 BBGD CO[C@@H](C)CN(C)CC(=O)NNC(=O)C1CC1 796638898 BWPICOIFJTUZFB-QMMMGPOBSA-N 243.307 -0.490 50 20 BBGD C=CCNC(=S)NNC(=O)C1=COCC1 798306619 OHPAPQBPJCRKRD-UHFFFAOYSA-N 227.289 -0.028 50 20 BBGD CCNC(=O)N(C)NC(=O)C[C@@H](N)C1CC1 831945561 RQCZXHJLQRURSF-MRVPVSSYSA-N 228.296 -0.194 50 20 BBGD O=C(NNC(=O)[C@H](O)C1CC1)c1ncccn1 854952607 NEICSPPMNBFQEE-SSDOTTSWSA-N 236.231 -0.992 50 20 BBGD CC(C)[C@](C)(O)C(=O)NNC(=O)c1cc[nH]n1 855356227 JHSTXJKGFRRKLF-JTQLQIEISA-N 240.263 -0.422 50 20 BBGD CCNC(=O)N(C)NC(=O)[C@@H](C)NCC 876885831 RDTRZVKLDJBVEM-SSDOTTSWSA-N 216.285 -0.323 50 20 BBGD CC(=O)NNC(=O)c1cnn2cccnc12 913466281 RSBSBALEGZMSCK-UHFFFAOYSA-N 219.204 -0.490 50 20 BBGD CCS(=O)(=O)CC(=O)NNc1cccnn1 1116545712 LFVMGAGGUBNZPS-UHFFFAOYSA-N 244.276 -0.646 50 20 BBGD COC(=O)NNC(=O)c1ccc2nncn2c1 1320546570 QGFZVGBNYNHIQV-UHFFFAOYSA-N 235.203 -0.270 50 20 BBGD COC(=O)C(=O)NN=Cc1nc(C)c(C)[nH]1 1328009251 IOVRBQILIYTEFW-UHFFFAOYSA-N 224.220 -0.350 50 20 BBGD C[C@@H](CO)N(C)NC(=O)CSCC#N 1329862670 QOKRUCFKJNVTKD-ZETCQYMHSA-N 217.294 -0.413 50 20 BBGD O=C1CC[C@H](C(=O)NNC(=O)CC2CC2)CN1 1347747794 CQIGSSYUCSGLOE-QMMMGPOBSA-N 239.275 -0.540 50 20 BBGD CNC(=O)NNC(=O)[C@H]1CCc2cncn2C1 1350606370 UBIBCEJCOUPQQN-ZETCQYMHSA-N 237.263 -0.594 50 20 BBGD C/C=C/[C@H](O)C(=O)NNC(=O)[C@H]1CCCNC1 1576913552 CLSBGYBIGHRRTB-WIYOPTIVSA-N 241.291 -0.930 50 20 BBGD CCOC(=O)NNC(=O)[C@]1(C)CNCCO1 1578006599 ITXPJTNWXQYPSF-VIFPVBQESA-N 231.252 -0.858 50 20 BBGD CC(=O)NNC(=O)CCN1C[C@@H](C)O[C@H](C)C1 122474916 PANQHNDRZIFNSX-RKDXNWHRSA-N 243.307 -0.347 50 20 BBGD NNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 204770809 KTNSBCCPAILZEY-UHFFFAOYSA-N 225.160 -0.073 50 20 BBGD COC(=O)NNC(=O)[C@H]1CO[C@@H](C)C1 492389690 DFMSMDDDACQMSD-NTSWFWBYSA-N 202.210 -0.201 50 20 BBGD CC(C)(O)CCOc1ccc(B(O)O)cc1 584910622 RIMFGGDPGMGSHV-UHFFFAOYSA-N 224.065 -0.094 50 20 BBGD Cc1cc(C)cc(OCC(=O)NCB(O)O)c1 585057555 VSDKTAFBLQNJLH-UHFFFAOYSA-N 237.064 -0.190 50 20 BBGD C#CCN1CCC[C@H]1C(=O)NNC(=O)N(C)C 732063775 GABMTMNUQZCHBN-VIFPVBQESA-N 238.291 -0.614 50 20 BBGD CCNC(=O)NNC(=O)[C@@]1(C)CCOC1 755162398 LQEAENJMGQNBDB-VIFPVBQESA-N 215.253 -0.237 50 20 BBGD CCC(=O)NNC(=O)Nc1nn(C)cc1C#N 756869743 DJHYLTAMENQSSA-UHFFFAOYSA-N 236.235 -0.146 50 20 BBGD COC(=O)CNC(=O)NN=C(C)CCCCO 779824015 YCGBLMKTFNIIHV-UHFFFAOYSA-N 245.279 -0.003 50 20 BBGD CC(=O)NNC(=O)c1cc([N+](=O)[O-])ccc1N 786687561 IEERUGLNGAKDRA-UHFFFAOYSA-N 238.203 -0.042 50 20 BBGD COC(=O)CNC(=O)NN=Cc1cn(C)cn1 794530147 KABFIGWWPYKOAN-UHFFFAOYSA-N 239.235 -0.774 50 20 BBGD CC(=NNC(=O)Cc1cc[nH]n1)c1cnnn1C 814954604 LIMCEXXUZOYVAE-UHFFFAOYSA-N 247.262 -0.379 50 20 BBGD CC[C@@H](CO)C(=O)NNC(=O)CC1CC1 819144604 PHMIDJVYYLCTKC-QMMMGPOBSA-N 214.265 -0.048 50 20 BBGD C#CC[C@H](CO)NC(=O)/C(C#N)=C/OCC 820055337 XLTNOMCHTNHUAJ-AAXQSMANSA-N 222.244 -0.069 50 20 BBGD CC(C)(C)C(=O)NNC(=O)N[C@H]1CCNC1 851672492 PBCFIRIUTNMRNI-ZETCQYMHSA-N 228.296 -0.275 50 20 BBGD CNC(=S)N(C)NC(=O)[C@@H]1CCO[C@@H]1C 854922465 LUYAAZZVOSWCGL-RNFRBKRXSA-N 231.321 -0.121 50 20 BBGD COC(=O)[C@H](C)NCc1ccc(B(O)O)cc1 863890677 BOHRNSWNFMWDAK-QMMMGPOBSA-N 237.064 -0.983 50 20 BBGD CCO/C=C(\C#N)C(=O)NN(C)C[C@@H](C)O 910160813 PJIJXEVVHDMMFP-KGOFQHAKSA-N 227.264 -0.226 50 20 BBGD COC(=O)N(C)NC(=O)c1cc(OC)ncn1 935908147 GHGCIOBSTMHBTN-UHFFFAOYSA-N 240.219 -0.172 50 20 BBGD CO[C@@H](C)C(=O)NNc1nnc(C)c(O)n1 1317904774 BULURLXNNYBEEN-YFKPBYRVSA-N 227.224 -0.636 50 20 BBGD CC(C)C(=O)NNC(=O)CCCCNC(N)=O 1317978968 UIPUTUQAOKECAE-UHFFFAOYSA-N 244.295 -0.372 50 20 BBGD CCC(=O)NNc1nc(O)c2cnn(C)c2n1 1324141220 YLPWCDPILNOPRG-UHFFFAOYSA-N 236.235 -0.078 50 20 BBGD CN(NC(=O)[C@@H]1CC[C@H](C(N)=O)O1)C1CC1 1335295083 CNEHHXZBIYAESC-SFYZADRCSA-N 227.264 -0.855 50 20 BBGD COCCONC(=O)NNC(=O)c1ccc[nH]1 1339475385 OOBHOAZXYAYSIM-UHFFFAOYSA-N 242.235 -0.463 50 20 BBGD C[C@H]1COC(=O)C1=NNC(=O)CCO 1340937556 ANOVDIHNJDGSFH-YFKPBYRVSA-N 200.194 -0.966 50 20 BBGD CCCOCC(=O)NNC(=O)c1cc(C)n[nH]1 151214291 MFGLINVZLHNANG-UHFFFAOYSA-N 240.263 -0.094 50 20 BBGD CC[C@H]1CN([C@H](CC)C(=O)NN)CCO1 216472973 VKDJBYPZYYKZEG-DTWKUNHWSA-N 215.297 -0.134 50 20 BBGD CCO/C=C(\C#N)C(=O)NCC(=O)N(C)C 490907638 IBPYKAZHBQXOAJ-BQYQJAHWSA-N 225.248 -0.365 50 20 BBGD Cn1cc(C(=O)NNC(=O)OC(C)(C)C)nn1 496574589 WLLNWUCGRYZXJW-UHFFFAOYSA-N 241.251 -0.015 50 20 BBGD Cn1ncc(Br)c1CNC(=O)NN 575483253 OYPOCTAPTJCEQO-UHFFFAOYSA-N 248.084 -0.145 50 20 BBGD Cc1cc(C(=O)NCB(O)O)cc([N+](=O)[O-])c1 585061563 ADBMBMAQZWJRRB-UHFFFAOYSA-N 238.008 -0.355 50 20 BBGD CC(C)CCC(=O)NNC(=O)CNC(=O)O 736429083 PASFAJJHKQBOPB-UHFFFAOYSA-N 231.252 -0.162 50 20 BBGD CC[C@H]1C[C@@H](C(=O)NNC(=O)CO)CCO1 753442803 PIIIJPDMGPHBFO-YUMQZZPRSA-N 230.264 -0.669 50 20 BBGD Cc1cc(C(=O)NNC(=O)CO)oc1C 753443126 SDJFVNITZQPWLO-UHFFFAOYSA-N 212.205 -0.350 50 20 BBGD C[C@H]1CC[C@H](C(=O)NNC(=O)CO)C1 753443816 CEEKCCAPTAPBKK-BQBZGAKWSA-N 200.238 -0.438 50 20 BBGD CCC(=NNC(=O)CO)[C@@H]1CCOC1 776780503 TUFFALAMGPOFPY-SSDOTTSWSA-N 200.238 -0.103 50 20 BBGD O=C(CO)NNC(=O)[C@@H]1CC(=O)c2ccccc21 789904824 BPTXVQSALYGAPJ-SECBINFHSA-N 248.238 -0.504 50 20 BBGD Cc1cc(C)nc(C(=O)NNC(=O)CO)c1 801641248 BXKHGHXPGGCTRV-UHFFFAOYSA-N 223.232 -0.548 50 20 BBGD CN(NC(=O)[C@H]1CN2CCCN1CC2)C1CC1 819650453 MWQIDDBZWAOHPO-LLVKDONJSA-N 238.335 -0.498 50 20 BBGD CCO/C=C(\C#N)C(=O)N[C@H](CO)CN(C)C 819824754 MWTPFJNBZNCMCR-DDXVTDLHSA-N 241.291 -0.531 50 20 BBGD C[C@H](CO)N(C)NC(=O)C[C@H]1CCCO1 823912356 DCMYRQJIGVAWBT-RKDXNWHRSA-N 216.281 -0.101 50 20 BBGD CO[C@H](CC(C)C)C(=O)NNC(=O)C(C)(C)O 841426770 MEDDJZRYFYVSAS-MRVPVSSYSA-N 246.307 -0.034 50 20 BBGD C[C@H](CCO)N(C)CC(=O)NNC(=O)C1CC1 844448508 FUEZXNHTRJLBHM-MRVPVSSYSA-N 243.307 -0.754 50 20 BBGD CNC(=S)N(C)NC(=O)CC1(O)CCC1 854927372 GCSATPPVUZBFEB-UHFFFAOYSA-N 231.321 -0.241 50 20 BBGD C[C@H]1CC(=NNC(=O)CS(C)(=O)=O)[C@H](C)O1 863185962 JHLIHFIRIDFSON-BQBZGAKWSA-N 248.304 -0.300 50 20 BBGD C#C[C@@H](NC(=O)c1ccc(B(O)O)cc1)C(C)C 863880800 GPFREVGNDRHFPS-GFCCVEGCSA-N 245.087 -0.246 50 20 BBGD O=C(NNC(=O)c1cnn[nH]1)c1cccnc1 918278647 FMLVHUQGTHXLES-UHFFFAOYSA-N 232.203 -0.726 50 20 BBGD CNC(=S)N(C)NC(=O)CCc1cnc[nH]1 1328418516 YLQJZGDNCARYHJ-UHFFFAOYSA-N 241.320 -0.190 50 20 BBGD O=C(CCn1ccnc1)N1CC[C@H](B(O)O)C1 1329293686 TXWCMHLOBVEMRU-VIFPVBQESA-N 237.068 -0.652 50 20 BBGD C[C@H](CO)N(C)NC(=O)[C@@H](C)n1cncn1 1330261201 KZFTWSSYFXWJOE-HTQZYQBOSA-N 227.268 -0.817 50 20 BBGD COC(=O)NNC(=O)[C@@]1(C)CCOC1 495366992 LRRZQIJAILMOOL-QMMMGPOBSA-N 202.210 -0.200 50 20 BBGD COCCCOCC(=O)NN(C)C(=O)OC 495693977 WBBWEQZMLDZHRS-UHFFFAOYSA-N 234.252 -0.231 50 20 BBGD CN(C)c1ccc(C(=O)NCB(O)O)cc1 585073004 UMXMEDWXQVQGKS-UHFFFAOYSA-N 222.053 -0.506 50 20 BBGD CC(C)(C)CC(=O)NNC(=O)CNC(=O)O 736251048 NQWVGKNWQKYYKO-UHFFFAOYSA-N 231.252 -0.162 50 20 BBGD CC(=NNC(=O)C(N)=O)c1cncc(C)c1 767358543 BNTQTTNXHCYKIX-UHFFFAOYSA-N 220.232 -0.284 50 20 BBGD COc1cc(C(C)=NNC(=O)CO)on1 814896182 MUVFIVUNDYKJNW-UHFFFAOYSA-N 213.193 -0.484 50 20 BBGD C[C@H](CO)N(C)NC(=O)c1cncnc1 823935025 MMBRWZBBJDOJEG-SSDOTTSWSA-N 210.237 -0.566 50 20 BBGD CCNC(=O)N(C)NC(=O)Cc1nonc1C 845926158 QFOPGRUJDUJQHX-UHFFFAOYSA-N 241.251 -0.387 50 20 BBGD CCn1ncnc1C=NNC(=O)CN(C)C 848405777 YRKOBUCMZZVFSX-UHFFFAOYSA-N 224.268 -0.690 50 20 BBGD N#CSCCCNC(=O)C1(C(N)=O)CC1 854362653 WASHVDCFUFFPMO-UHFFFAOYSA-N 227.289 -0.028 50 20 BBGD O=C(NNC(=O)[C@H]1CCC=CO1)c1cn[nH]c1 862471044 OXGGGWTVHWYIFF-MRVPVSSYSA-N 236.231 -0.137 50 20 BBGD CNC(=O)NCC(=O)NNc1cccc(C)n1 862521378 LUYZWDRFMDSUQR-UHFFFAOYSA-N 237.263 -0.238 50 20 BBGD CC(C)ONC(=O)c1cccc(B(O)O)c1 863883600 GYNKVAPAWOPABM-UHFFFAOYSA-N 223.037 -0.564 50 20 BBGD O=C(CCCCO)NNC(=O)c1ccc[nH]1 864588422 BDWJECKDVXVKFK-UHFFFAOYSA-N 225.248 -0.062 50 20 BBGD C=CC(=O)N(CC)CC(=O)NNC(=O)N(C)C 900427320 ICRXGVVFGVBVCX-UHFFFAOYSA-N 242.279 -0.677 50 20 BBGD C=CC(=O)N(CC)CC(=O)NNc1cnccn1 907478102 UMCQPCOOEUEWSG-UHFFFAOYSA-N 249.274 -0.046 50 20 BBGD C=CC(=O)N(CC)CC(=O)NNc1ccncn1 908551793 UXUZVXAKLPKFSF-UHFFFAOYSA-N 249.274 -0.046 50 20 BBGD CC(=O)N[C@H](C(=O)NN(C)C[C@@H](C)O)C(C)C 910176693 DKDQZMJDZLMBQA-SCZZXKLOSA-N 245.323 -0.509 50 20 BBGD Cc1cnn(CC(=O)NNc2cnnn2C)c1 1118827945 RRDIUHPQCVRRQZ-UHFFFAOYSA-N 235.251 -0.537 50 20 BBGD O=C1NCCC[C@@H]1C(=O)NNc1cccnn1 1261856569 IMWWSUKXIDHURJ-ZETCQYMHSA-N 235.247 -0.554 50 20 BBGD N#CC1=CCN(C(=O)C2(NC(N)=O)CC2)CC1 1295164024 AUWMZDHNSRIDQH-UHFFFAOYSA-N 234.259 -0.130 50 20 BBGD CCOC(=O)NNC(=O)CCc1nc[nH]n1 1318961341 XDWIESJSQVPFNJ-UHFFFAOYSA-N 227.224 -0.485 50 20 BBGD O=C(Cc1ccncc1)N1CC[C@@H](B(O)O)C1 1331897246 VOSQJYBOOGMAKS-SNVBAGLBSA-N 234.064 -0.301 50 20 BBGD CN(NC(=O)CCCS(N)(=O)=O)C1CC1 1335028964 LDULODKBFPVTMM-UHFFFAOYSA-N 235.309 -0.820 50 20 BBGD C[C@@H](CO)N(C)NC(=O)CCc1cncn1C 1336011100 OGYQCRRFYQCOBV-VIFPVBQESA-N 240.307 -0.304 50 20 BBGD C[C@@H]1[C@@H](C(=O)NNC(=O)c2ncon2)C1(F)F 1348417388 BFNYSTKECCURPS-DMTCNVIQSA-N 246.173 -0.268 50 20 BBGD NC(=O)C(=O)NN=Cc1csc(C(=O)O)c1 1776015541 CYUQPRCRMXTNRC-UHFFFAOYSA-N 241.228 -0.618 50 20 BBGD CS[C@H](C)C(=O)NNC(=O)CN(C)C 75653549 NJPNVGJRHADMRO-ZCFIWIBFSA-N 219.310 -0.553 50 20 BBGD CC(C)NC(=O)CNS(=O)(=O)CCl 82511901 GKGGVJRSEMGCKJ-UHFFFAOYSA-N 228.701 -0.373 50 20 BBGD CCC(=O)NNC(=O)[C@H](C)N1CCOCC1 109824521 RWEYUTWSNZQWKK-QMMMGPOBSA-N 229.280 -0.736 50 20 BBGD CCOC(=O)NNC(=O)c1cnc(C)nc1N 493709427 IGJRKDCHLKFROT-UHFFFAOYSA-N 239.235 -0.242 50 20 BBGD OB(O)c1ccc(CN[C@@H]2CC[C@H](F)C2)o1 585040419 KFIMCWSYUMLILI-JGVFFNPUSA-N 227.044 -0.060 50 20 BBGD OB(O)[C@@H]1CCN(c2ncnc3n[nH]cc23)C1 585074144 VBTFMTUBSREGTO-ZCFIWIBFSA-N 233.040 -0.594 50 20 BBGD CCCNC(=O)NNC(=O)Cc1cc[nH]n1 746170308 DYYHGBMWGORQDW-UHFFFAOYSA-N 225.252 -0.307 50 20 BBGD COC(=O)Cn1cccc1C=NNC(=O)CO 776778431 XJXNXSGFBMIDET-UHFFFAOYSA-N 239.231 -0.897 50 20 BBGD COCCN(C)NC(=O)[C@H](C)S(C)(=O)=O 808075386 XLZKQQZHZQEDBC-ZETCQYMHSA-N 238.309 -0.971 50 20 BBGD Cc1ccc(C(=O)NN(C)[C@H](C)CO)nn1 823918374 WITMNBQKNFCVRY-MRVPVSSYSA-N 224.264 -0.258 50 20 BBGD CN(C)CC(=O)NNC(=O)[C@@]1(C)CCCCO1 839640419 QFLIAKFGJXJWHJ-LLVKDONJSA-N 243.307 -0.345 50 20 BBGD C[C@H]1OCC[C@H]1C(=O)NNS(=O)(=O)C1CC1 842593766 XMAQJCFQOPQZDY-HTRCEHHLSA-N 248.304 -0.476 50 20 BBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)CC#N 843970560 HYBHWGJBPCFYNZ-RNFRBKRXSA-N 211.221 -0.528 50 20 BBGD CCO[C@@H](C(=O)NN(C)C(N)=O)C1CC1 860517030 WHLKXRRGRONFIW-SSDOTTSWSA-N 215.253 -0.157 50 20 BBGD C[C@@H]1CC(=NNC(=O)[C@H]2CCC(=O)N2)CO1 863150847 CSXIJKHFAPDUTG-HTRCEHHLSA-N 225.248 -0.454 50 20 BBGD C[C@@H](O)CN(C)NC(=O)CC(C)(C)O 910151088 ZLVFCRUKARFGAX-SSDOTTSWSA-N 204.270 -0.509 50 20 BBGD CC(=O)NNC(=O)C(=O)c1ccc(O)cc1 1116909689 FOLSPYUDMRJIIP-UHFFFAOYSA-N 222.200 -0.258 50 20 BBGD COC(=O)C(=O)NN=C1C[C@H](C)N(C2CC2)C1 1319514778 UZEHRGXXDZUEST-ZETCQYMHSA-N 239.275 -0.112 50 20 BBGD CC(C)[C@@H](O)COc1ccc(B(O)O)cc1 1333490256 WFFJMOPPHRSSGB-NSHDSACASA-N 224.065 -0.238 50 20 BBGD C[C@@H](CNCc1ccccc1B(O)O)C(=O)O 1589069341 DWFULTYTHZKVNW-QMMMGPOBSA-N 237.064 -0.823 50 20 BBGD N[C@@H](CC(=O)O)C(=O)NNc1ccccc1 1608265053 RILOEQDXEGCVEQ-QMMMGPOBSA-N 223.232 -0.068 50 20 BBGD O=C(NNC(=O)c1ccccc1)C(=O)NC1CC1 8392095 UBBSFRZFKLRLLQ-UHFFFAOYSA-N 247.254 -0.274 50 20 BBGD CCOC(=O)NNS(=O)(=O)c1cn[nH]c1 48961636 JBHMWDMWDJQASA-UHFFFAOYSA-N 234.237 -0.651 50 20 BBGD O=C(CC1CC1)NNC(=O)c1nc[nH]n1 294123152 KNROBUJYEAGEPA-UHFFFAOYSA-N 209.209 -0.634 50 20 BBGD CCCCN(C)S(=O)(=O)NNC(=O)CC 739667554 QDXVBQHATPWLCS-UHFFFAOYSA-N 237.325 -0.006 50 20 BBGD C[C@@H](C(=O)NNC(=O)CO)C(C)(C)C 753452988 VQWFVVCKESTYAS-LURJTMIESA-N 202.254 -0.192 50 20 BBGD Cc1[nH]nc(C(=O)NN=c2cc[nH]cc2)c1O 780761919 MEWHYOZDMHJWBW-UHFFFAOYSA-N 233.231 -0.002 50 20 BBGD COCCCOCC(=O)NN(C)CCOC 816561896 PQFCRFKJUCUHCP-UHFFFAOYSA-N 234.296 -0.351 50 20 BBGD C[C@@H](O)CN(C)NC(=O)[C@H]1CCCN1C 821217801 OZONWUZHBMNGQZ-RKDXNWHRSA-N 215.297 -0.576 50 20 BBGD CCOC(=O)NCCC(=O)NN(C)[C@H](C)CO 823971211 QPYVWSAEHJUUOB-MRVPVSSYSA-N 247.295 -0.534 50 20 BBGD Cn1cc(/C=C(/C#N)C(=O)N[C@H]2C[C@H](O)C2)cn1 856395957 ZHELGINZPLHIJM-JPGAYLIOSA-N 246.270 -0.033 50 20 BBGD CCC(=O)N[C@H](C)C(=O)NNC(=O)NC1CC1 920823330 NUGVIQNVJQJSPY-ZCFIWIBFSA-N 242.279 -0.606 50 20 BBGD NNC(=O)NC[C@H]1CC2(CCNCC2)CO1 1262098329 BMZDNAYMPVQFFN-MRVPVSSYSA-N 228.296 -0.682 50 20 BBGD CN(C)C(=O)NNC(=O)CO[C@H]1CCOC1 1318936238 TZLJQYDQXMLRRT-ZETCQYMHSA-N 231.252 -0.906 50 20 BBGD COCC(=O)NNC(=O)Cc1cccnc1 1322469913 XNXKZLPPSALALC-UHFFFAOYSA-N 223.232 -0.582 50 20 BBGD CN(NC(=O)COCc1nncn1C)C1CC1 1331969974 LKFXQKSRJRYLTK-UHFFFAOYSA-N 239.279 -0.543 50 20 BBGD COC(=O)N(C)NC(=O)c1nc(C)no1 1335488853 AYJLVVDUXQWAFO-UHFFFAOYSA-N 214.181 -0.279 50 20 BBGD C#CCCCC(=O)NNC(=O)Cc1ncc[nH]1 1336577782 SZTKOSLMHGYIKL-UHFFFAOYSA-N 234.259 -0.097 50 20 BBGD CNC(=O)NNC(=O)[C@@H](C)c1cnccn1 1350708009 VPWBDRLULOFDMX-LURJTMIESA-N 223.236 -0.460 50 20 BBGD CN(N)C(=O)[C@@H]1COc2ccc(O)cc2O1 1573877412 POLSSNFKMBWPRJ-VIFPVBQESA-N 224.216 -0.136 50 20 BBGD CC1(C)CO[C@H](CC(=O)NNC(=O)CCN)C1 1576484255 PZYMRZCKJIIUMY-MRVPVSSYSA-N 243.307 -0.312 50 20 BBGD CC[C@@H](NNC(=O)c1cccnn1)C(=O)O 1595306224 WZGQOQKNXQSGQG-ZCFIWIBFSA-N 224.220 -0.426 50 20 BBGD O=C(NNC(=O)c1cnsn1)NC1CC1 49150170 ISWCFOABRLGVBU-UHFFFAOYSA-N 227.249 -0.356 50 20 BBGD COC(=O)NNC(=O)CN1CCCCC1=O 274288556 LWFHXTRLPZPSRU-UHFFFAOYSA-N 229.236 -0.614 50 20 BBGD OB(O)c1ccccc1CNC[C@@H](O)C1CC1 585040586 NUEJGOVMIPJDAP-GFCCVEGCSA-N 235.092 -0.773 50 20 BBGD CN(C[C@H]1COCCO1)S(=O)(=O)CCl 725705657 FWCONBBKKGEHFU-ZETCQYMHSA-N 243.712 -0.140 50 20 BBGD Cn1ccc(C(=O)NNC(=O)C2CCC2)n1 732143164 VBTIJTDZXQNREH-UHFFFAOYSA-N 222.248 -0.019 50 20 BBGD O=C(CO)NNC(=O)COC1CCCC1 753444632 NUCZLNOYAPWZMX-UHFFFAOYSA-N 216.237 -0.915 50 20 BBGD COCCCOCC(=O)NNC(C)=O 775781227 CZPAHQRRXQKQER-UHFFFAOYSA-N 204.226 -0.793 50 20 BBGD CC(=NNC(=O)C(N)=O)[C@@H]1CCCOC1 779757331 CPCFTGLXFOSRBT-SSDOTTSWSA-N 213.237 -0.610 50 20 BBGD CN(NC(=O)[C@@](C)(O)c1ccccc1)C(N)=O 817557730 NHYOIGGMJGCSIV-NSHDSACASA-N 237.259 -0.064 50 20 BBGD CCN(CCO)NC(=O)c1ccc2nn[nH]c2c1 823842420 SPTWRIXWZTXZGS-UHFFFAOYSA-N 249.274 -0.083 50 20 BBGD C[C@H](CO)N(C)NC(=O)c1nccn2ccnc12 823917183 DOAOONJUNCFGEE-MRVPVSSYSA-N 249.274 -0.313 50 20 BBGD CCO[C@@H]1C[C@@H]1C(=O)NN(C)[C@H](C)CO 823971413 TVGGWMYKDRGJEG-HRDYMLBCSA-N 216.281 -0.245 50 20 BBGD CNC[C@@H](C)NC(=O)NNC(=O)CC(C)C 851682114 UHHFOSAEEHDANP-MRVPVSSYSA-N 230.312 -0.029 50 20 BBGD COc1nn(C)cc1C(=O)NN(C)[C@@H](C)CO 883972799 VKMTYMBNBHUTEO-ZETCQYMHSA-N 242.279 -0.614 50 20 BBGD CC(C)(C)NC(=S)NNC(=O)c1nc[nH]n1 899996675 PWDNKJNZSIYXKB-UHFFFAOYSA-N 242.308 -0.288 50 20 BBGD CC(=O)NNC(=O)c1c2c(nn1C)CCC2 905065124 WWRZMHRCGDEFJH-UHFFFAOYSA-N 222.248 -0.310 50 20 BBGD C[C@H](CO)N(C)NC(=O)[C@@H]1CCCC(=O)N1C 911444207 CELPJXVHICUQBY-BDAKNGLRSA-N 243.307 -0.659 50 20 BBGD O=C(Cn1cnnn1)NNC(=O)C1CCCC1 914842531 IDBIYWUMTOXFMO-UHFFFAOYSA-N 238.251 -0.989 50 20 BBGD Cn1cccc1C(=O)NNC(=O)c1cc[nH]n1 917939032 VLRDNHHBZIHQAT-UHFFFAOYSA-N 233.231 -0.177 50 20 BBGD C=CCNC(=S)NNC(=O)c1cocn1 1256497458 XQGFUYLYJGEWQN-UHFFFAOYSA-N 226.261 -0.031 50 20 BBGD Cc1nn(C)cc1C(=O)N1CC[C@H](B(O)O)C1 1329216010 SYXDAYUMWCNFCL-QMMMGPOBSA-N 237.068 -0.583 50 20 BBGD COC(=O)N(C)NC(=O)NCCN(C)C1CC1 1332906521 FCXBKHJLPPGGPU-UHFFFAOYSA-N 244.295 -0.007 50 20 BBGD C[C@@H](CO)N(C)NC(=O)[C@H]1C[C@H]1C(=O)O 1592762538 TWBLFOZXWCHVMD-LYFYHCNISA-N 216.237 -0.949 50 20 BBGD CC[C@H](NCc1ccccc1B(O)O)C(=O)O 1593623774 NQWRVRMZMPDFCX-JTQLQIEISA-N 237.064 -0.681 50 20 BBGD OCc1cc(B(O)O)cc(C(F)(F)F)c1 238712675 SHVUAYRUNPNLBS-UHFFFAOYSA-N 219.955 -0.123 50 20 BBGD CCOC(=O)NNC(=O)C1CN(C(C)=O)C1 492751827 ZFIQRJGPQPZZNT-UHFFFAOYSA-N 229.236 -0.758 50 20 BBGD COC(=O)N(C)NC(=O)[C@](C)(O)C1CC1 495639237 ZKTBKJMDFPAFEC-SECBINFHSA-N 216.237 -0.123 50 20 BBGD COC(=O)N(C)NC(=O)COC1CCOCC1 495693207 MTZZEGQJWPHQJH-UHFFFAOYSA-N 246.263 -0.089 50 20 BBGD CC#CCN(C)C(=O)c1cccc(B(O)O)c1 584994390 IILYAWFAKSMDNT-UHFFFAOYSA-N 231.060 -0.538 50 20 BBGD O=C(c1ccc(B(O)O)cc1)N1CC[C@@H]2C[C@H]2C1 585005730 LLZJRCXRDQICLF-MNOVXSKESA-N 245.087 -0.152 50 20 BBGD OB(O)c1ccc(CNC2(CF)CCC2)o1 585048587 SVXDOVCWQWKCBC-UHFFFAOYSA-N 227.044 -0.059 50 20 BBGD CC[C@H]1CC[C@H](C(=O)NCB(O)O)O1 585059872 DSJMXENNZSIYKH-NKWVEPMBSA-N 201.031 -0.928 50 20 BBGD Cc1ccc(C(=O)NCB(O)O)cc1F 585060361 DBXHVHNIGSITMP-UHFFFAOYSA-N 211.001 -0.124 50 20 BBGD O=C(CO)NNC(=O)c1ccnc(C2CC2)c1 753445562 NRGXXJZNKFBUEK-UHFFFAOYSA-N 235.243 -0.288 50 20 BBGD C#CCNC(=S)NNC(=O)C1CCC1 758235842 UHKUGUSFNFSPNN-UHFFFAOYSA-N 211.290 -0.085 50 20 BBGD CN(NC(=O)[C@@H]1CC(=O)N(C2CC2)C1)C(N)=O 778417553 AYFUYUYMCJICPA-ZCFIWIBFSA-N 240.263 -0.961 50 20 BBGD Cn1cc(C=NNC(=O)N=c2cc[nH]cc2)nn1 815000233 IENAPULQRUSWIM-UHFFFAOYSA-N 245.246 -0.212 50 20 BBGD CCNC(=O)CCC(=O)NNC(=O)CC1CC1 819136564 ZYYREDDLRCYCFP-UHFFFAOYSA-N 241.291 -0.150 50 20 BBGD CC[C@H](OC)C(=O)NN(CC)CCO 823852974 VQZFQTHUVWUHSG-QMMMGPOBSA-N 204.270 -0.243 50 20 BBGD CCN(CCO)NC(=O)[C@@H]1CO[C@H](C)C1 823878943 AYPWZARNTZZTRS-BDAKNGLRSA-N 216.281 -0.243 50 20 BBGD CC(C)C(=O)NNC(=O)CN(C)[C@@H](C)CCO 844448448 FOZZUBVZZYYSLS-VIFPVBQESA-N 245.323 -0.508 50 20 BBGD O=C(CN1CC[C@@H]2C[C@H]2C1)NNC(=O)C1CC1 852636582 XYOOAVUQPMLFMI-ZJUUUORDSA-N 237.303 -0.114 50 20 BBGD COC/C(C)=C/C(=O)NNC(=O)c1cn[nH]c1 862469822 UJXHYIDNUPVALC-XVNBXDOJSA-N 238.247 -0.237 50 20 BBGD C#CCSCC(=O)NNC(=O)OC 895513304 XSXNVUZLPJZYAT-UHFFFAOYSA-N 202.235 -0.260 50 20 BBGD C[C@@H](O)c1cn(CC(=O)NN(C)C2CC2)nn1 1118153807 GXOHEAMOCFLDNE-SSDOTTSWSA-N 239.279 -0.543 50 20 BBGD C[C@H](C(=O)NNC(=O)CC1CC1)S(C)(=O)=O 1327912503 ABCBQZNGGPJDBF-ZCFIWIBFSA-N 248.304 -0.633 50 20 BBGD Cc1cnc(C(=O)NNC(=O)CN)cc1C 1579819178 JSVIKJOZGDQLLH-UHFFFAOYSA-N 222.248 -0.582 50 20 BBGD C[C@@H](NC(=O)C(C)(C)C)C(=O)NN(C)C(N)=O 181091890 DMAZFVKBDMTSBQ-ZCFIWIBFSA-N 244.295 -0.421 50 20 BBGD CC(=O)NCCN(C)S(=O)(=O)CCl 308144294 MYLNXJSCFUEEJL-UHFFFAOYSA-N 228.701 -0.420 50 20 BBGD CC(=O)NNC(=S)NCCN(C)C 379382568 JCYRZRVVJKBKIY-UHFFFAOYSA-N 204.299 -0.937 50 20 BBGD CC[C@H](O)CCNCc1ccccc1B(O)O 585028331 ITTWHSCFUPLBHK-NSHDSACASA-N 237.108 -0.383 50 20 BBGD CC[C@@](C)(CO)NCc1ccccc1B(O)O 585032911 QJPVJZNJHUUCLE-LBPRGKRZSA-N 237.108 -0.383 50 20 BBGD CC(C)C(=O)NNS(=O)(=O)c1ccnn1C 727351524 LWPZPRXGGFWDPI-UHFFFAOYSA-N 246.292 -0.614 50 20 BBGD COCCO[C@H](C)C(=O)NN=C1CCOC1 748259224 HCQKJWJAQGCGOL-MRVPVSSYSA-N 230.264 -0.070 50 20 BBGD COc1ccc(O)c(C=NNC(=O)CO)c1 776782564 QPGJPTAIWNGSCL-UHFFFAOYSA-N 224.216 -0.157 50 20 BBGD COC[C@@H](C)[C@@H](C)C(=O)NNC(=O)CN(C)C 812497025 SVTSQZKULQKZRS-RKDXNWHRSA-N 245.323 -0.386 50 20 BBGD O=C(NNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CCC1 839679836 JPVHOGJBXMFLMH-RNFRBKRXSA-N 227.220 -0.401 50 20 BBGD C[C@@H]1OCC[C@H]1C(=O)NN=C1CCN(C)C1=O 842559690 JVYPIFJABLOYKX-JGVFFNPUSA-N 239.275 -0.254 50 20 BBGD CCC(=O)NNC(=O)Cc1cc(C)[nH]n1 869011333 NUEYSHYSAXHUBL-UHFFFAOYSA-N 210.237 -0.182 50 20 BBGD CC[C@@H](OC)C(=O)NNC(=O)COCCOC 869908993 DWFQSKIBKALYOW-MRVPVSSYSA-N 248.279 -0.778 50 20 BBGD CS(=O)(=O)CC(=O)NNc1ccc(F)cn1 874651501 PCHJEJLFROHWEW-UHFFFAOYSA-N 247.251 -0.292 50 20 BBGD C[C@@H](CO)N(C)NC(=O)CCc1cnc[nH]1 1119047788 NCOBXZGHQZRDEI-QMMMGPOBSA-N 226.280 -0.314 50 20 BBGD CC(C)NC(=O)NNC(=O)c1cc[nH]n1 1318157404 QGIMWYXETMKLBS-UHFFFAOYSA-N 211.225 -0.238 50 20 BBGD O=C(NNC(=O)C1CC1)c1ccnc(O)c1 1319307340 CTDZXISEGFDRJQ-UHFFFAOYSA-N 221.216 -0.042 50 20 BBGD O=C(CC1CC1)NNC(=O)c1cnnc(O)c1 1331202241 UNQZBTGWPCQNIF-UHFFFAOYSA-N 236.231 -0.257 50 20 BBGD CC(C)C(=O)NNC(=O)CCn1cncn1 1337367212 STWZWVIKNPYQNO-UHFFFAOYSA-N 225.252 -0.528 50 20 BBGD CO[C@@H]1CCC[C@@H]1C(=O)NNC(=O)C(C)(C)O 1338960875 RWJZXBCTBVAXAN-JGVFFNPUSA-N 244.291 -0.280 50 20 BBGD CNC(=O)NNC(=O)[C@H]1CC[C@H]1C(=O)O 1604240898 OMNWXNMLWKNERE-CRCLSJGQSA-N 215.209 -0.943 50 20 BBGD COc1ccnc(NNC(=O)[C@@H](C)N)n1 237112390 DMSUPRFVPWKJLF-RXMQYKEDSA-N 211.225 -0.725 50 20 BBGD CC[C@H](Cl)C(=O)N1C[C@@H]2C(=O)NC(=O)[C@H]2C1 409429773 SVMLRNZPGHIXOW-ACZMJKKPSA-N 244.678 -0.265 50 20 BBGD Cc1ccn2cnc(C(=O)NCB(O)O)c2c1 585063422 ZTPGTLDRNIJLEX-UHFFFAOYSA-N 233.036 -0.615 50 20 BBGD Cc1cc(C(=O)NNC(=O)CN(C)C)n(C)n1 733359518 JGKILWOILWZNAW-UHFFFAOYSA-N 239.279 -0.949 50 20 BBGD O=C(O)[C@H]1C[C@H]1C(=O)NNc1cccnn1 739547917 NRYDUMLVKCPKCC-RITPCOANSA-N 222.204 -0.360 50 20 BBGD Cc1c(C(=O)NNC(=O)C(C)(C)C)nnn1C 741669085 KVJCWYQRFKKVSE-UHFFFAOYSA-N 239.279 -0.069 50 20 BBGD CO[C@H](C)CC(=O)NNC(=O)N1CCOCC1 749599083 JPQMXMFHSFOCKD-MRVPVSSYSA-N 245.279 -0.516 50 20 BBGD Cn1cc(C=NNC(=O)C(F)F)nn1 782234094 BPKOJTYVROLELO-UHFFFAOYSA-N 203.152 -0.470 50 20 BBGD C[C@@H]1C(=NNC(=O)C(N)=O)CC[C@@H]1CC(=O)O 814696308 CUPOTKOSJRBDGZ-NTSWFWBYSA-N 241.247 -0.535 50 20 BBGD O=C(Cn1cccn1)NNc1ncncc1F 817069950 BCPOVKBNWQBCQP-UHFFFAOYSA-N 236.210 -0.045 50 20 BBGD CCN(CCO)NC(=O)CCc1cnn(C)c1 823852964 VFYWVPMWCPWFJY-UHFFFAOYSA-N 240.307 -0.302 50 20 BBGD CCN(CCO)NC(=O)CN(CC)C1CC1 823869752 PFTSNCJFTBIHKZ-UHFFFAOYSA-N 229.324 -0.184 50 20 BBGD COC(=O)N1CC(NS(=O)(=O)CCl)C1 830909207 XJIYNDCHOUZWRS-UHFFFAOYSA-N 242.684 -0.447 50 20 BBGD CC1=NO[C@H](C(=O)NN(C)C(N)=O)C1 831524712 KOHRCXRIDQSCJP-YFKPBYRVSA-N 200.198 -0.807 50 20 BBGD C[C@H](NC(=O)O)C(=O)NNC(=O)C1CCCC1 833739485 GIXAHZMUKJJUQL-LURJTMIESA-N 243.263 -0.020 50 20 BBGD CNC(=S)N(C)NC(=O)c1n[nH]cc1C 854921585 TUXFCEVAMRCGQU-UHFFFAOYSA-N 227.293 -0.201 50 20 BBGD CC(C)CC(=O)NNC(=O)[C@H]1C[C@@H](O)C1 873927270 YAXWLXNAPHZHSG-OCAPTIKFSA-N 214.265 -0.049 50 20 BBGD C[C@@H](CN)C(=O)NNC(=O)NCC1CC1 1574067258 MZNYRJUQCCSSDT-LURJTMIESA-N 214.269 -0.678 50 20 BBGD O=C(NNC(=O)C1(C(=O)O)CC1)c1ccncc1 1601552657 COIIYAMMSGMWRM-UHFFFAOYSA-N 249.226 -0.293 50 20 BBGD O=C(O)CCCNC(=S)NNC(=O)C1CC1 1601993217 GNLLJYQNLQWWBS-UHFFFAOYSA-N 245.304 -0.244 50 20 BBGD COc1nccnc1NNC(=O)CC(=O)O 1607361578 LSSFTIIFFWMTGO-UHFFFAOYSA-N 226.192 -0.597 50 20 BBGD O=C(O)C(=O)NN=Cc1cnc2cnccn12 1608531173 UVNPBXKUWFCKII-UHFFFAOYSA-N 233.187 -0.736 50 20 BBGD O=C(CCl)N[C@@H]1CCCS(=O)(=O)C1 68941335 PJTQBJXHUPONDR-ZCFIWIBFSA-N 225.697 -0.081 50 20 BBGD CN(C)CC(=O)NNc1cc(Cl)nc(N)n1 182777002 VKGMBMOXFGECEC-UHFFFAOYSA-N 244.686 -0.283 50 20 BBGD C[C@H](CF)NCc1ccc(B(O)O)cc1 585041938 XLLDRRQCGCRMDL-MRVPVSSYSA-N 211.045 -0.186 50 20 BBGD CN(N)C(=O)CNC(=O)c1cccs1 704639048 NWGVDSNJABAHHC-UHFFFAOYSA-N 213.262 -0.190 50 20 BBGD Cc1n[nH]cc1C(=O)NNC(=O)Cc1cc[nH]n1 743339339 MCOVZERRNMSNGS-UHFFFAOYSA-N 248.246 -0.555 50 20 BBGD COC[C@@](C)(O)C(=O)NNC(=O)C1CCC1 754999232 ATABCCUROXUSKG-SNVBAGLBSA-N 230.264 -0.669 50 20 BBGD COCCCOCC(=O)NNC(=O)NC1CC1 775675641 GQRZHRARRDKOAK-UHFFFAOYSA-N 245.279 -0.468 50 20 BBGD CCNC(=O)N(C)NC(=O)[C@H](C)n1cncn1 780711023 GMPSQBOLKIUNBU-ZETCQYMHSA-N 240.267 -0.468 50 20 BBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N1CC(F)C1 827260932 YAAXHBFBEAXHFU-POYBYMJQSA-N 245.254 -0.194 50 20 BBGD CCCNC(=O)NNC(=O)[C@H]1NC(=O)O[C@@H]1C 841384807 GBRNSSGAGLZSFT-RITPCOANSA-N 244.251 -0.776 50 20 BBGD COC[C@](C)(O)C(=O)NN[C@@H](C)C(F)(F)F 862311692 RDBZDSNODZNIMT-FSPLSTOPSA-N 244.213 -0.045 50 20 BBGD CCCCNC(=O)NNC(=O)[C@H]1C[C@@H](O)C1 874193255 PHNAZBAKFBHXFL-OCAPTIKFSA-N 229.280 -0.112 50 20 BBGD NC[C@H](O)CC(=O)NNc1ccc(F)cc1 912448551 TZKOOXWBRSIPET-SECBINFHSA-N 227.239 -0.022 50 20 BBGD O=C(C[C@H]1CCOC1)NNC(=O)C1CC1 1319017164 NQPDOOJNCKPFKM-SSDOTTSWSA-N 212.249 -0.030 50 20 BBGD C#CCNC(=S)NNC(=O)c1ccccn1 1319732646 LLRVPRPPFMMUTR-UHFFFAOYSA-N 234.284 -0.176 50 20 BBGD CC(=O)NNC(=O)Cc1ncccc1F 1321469551 HPBIEHPQQILJAH-UHFFFAOYSA-N 211.196 -0.070 50 20 BBGD COC(=O)N(C)NC(=O)c1ccncn1 1322249731 DVESUESCXUTPTR-UHFFFAOYSA-N 210.193 -0.180 50 20 BBGD CC(C)C(=O)NNC(=O)[C@@]1(F)CCOC1 1323467181 YBYACRYRYYIQFD-SECBINFHSA-N 218.228 -0.082 50 20 BBGD COCCN(C)NC(=O)C(=O)c1ccc[nH]1 1333589079 WYWCDUQOJWGSKU-UHFFFAOYSA-N 225.248 -0.193 50 20 BBGD COc1cc(CCC(=O)NNC(C)=O)on1 1347280082 DFVGOJYHSGKJGJ-UHFFFAOYSA-N 227.220 -0.217 50 20 BBGD CC(=NNC(=O)C(=O)O)[C@H]1CCCOC1 1589011351 VNMLKZYMJLLOAI-ZETCQYMHSA-N 214.221 -0.010 50 20 BBGD O=C(CO)NN=Cc1ccc(O)c(O)c1 9631659 YRGNNRUZRCBPLM-UHFFFAOYSA-N 210.189 -0.460 50 20 BBGD CCNC(=O)NNC(=O)[C@H](C(C)C)N(C)C 110664152 FDKMHIDREDUWTC-QMMMGPOBSA-N 230.312 -0.077 50 20 BBGD CCC(=O)COc1ccc(B(O)O)cc1 196168020 FTESUHCYHGSJQO-UHFFFAOYSA-N 208.022 -0.276 50 20 BBGD CC[C@H](C(=O)NNc1nnc[nH]1)C(=O)OC 293998933 SPWQUJNPJCVTCM-RXMQYKEDSA-N 227.224 -0.553 50 20 BBGD CNC(=O)NNC(=O)c1cc(N)nc(Cl)c1 309291814 QIMRGIVZEIJRNO-UHFFFAOYSA-N 243.654 -0.109 50 20 BBGD O=S(=O)(CCCCl)N[C@H]1COC[C@H]1O 323438406 CEOYLJZOMOAKJN-NKWVEPMBSA-N 243.712 -0.706 50 20 BBGD CCOC(=O)N1CCC[C@@H](C(=O)NN)C1 495779756 JSDGFTZGYUTGKQ-SSDOTTSWSA-N 215.253 -0.155 50 20 BBGD O=C(CO)NNC(=O)[C@@H]1Cc2ccc(F)cc21 795239920 WAJLWFOYVCEEOY-SECBINFHSA-N 238.218 -0.395 50 20 BBGD COCCNCC(=O)NNc1ncccn1 826726159 GRFXVSQXZZYJJU-UHFFFAOYSA-N 225.252 -0.844 50 20 BBGD C[C@@H](CC(=O)O)C(=O)NNC(=O)c1ccc[nH]1 827304374 SKAVXHNICBVWDP-LURJTMIESA-N 239.231 -0.114 50 20 BBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@H](C)C#N 843974712 CRLCKTSBLMTERD-GJMOJQLCSA-N 225.248 -0.282 50 20 BBGD CC(C)C(=O)NNC(=O)CN1CCC[C@@H](O)C1 844465002 FDPOCEQFDIGXNP-SECBINFHSA-N 243.307 -0.754 50 20 BBGD NC(=O)[C@@H]1CC[C@@H]1C(=O)NN=c1cc[nH]cc1 847690703 MWBCQQLXFNHBCE-BDAKNGLRSA-N 234.259 -0.542 50 20 BBGD C[C@H](O)C(=O)NNC(=O)CC(F)(F)F 855000063 AFMGPQWJBCXJJD-VKHMYHEASA-N 214.143 -0.533 50 20 BBGD CCCOCC(=O)NNC(=O)c1cc[nH]n1 855359651 ZNMVOEWHIQFVHM-UHFFFAOYSA-N 226.236 -0.403 50 20 BBGD C[C@@H]1C[C@@H]1C(=O)NNC(=O)[C@H]1CCC(=O)N1 862448882 IJESKUTZPMGHRU-DSYKOEDSSA-N 225.248 -0.932 50 20 BBGD CO[C@H](C(=O)NNC(=O)c1cn[nH]c1)C(C)C 862470300 CZFPLHPKPUNTHW-QMMMGPOBSA-N 240.263 -0.158 50 20 BBGD CCC(=O)NNC(=O)[C@@H](C)N(C)C[C@@H](C)N 863567056 BIGFBCUYHHRPSI-HTQZYQBOSA-N 230.312 -0.789 50 20 BBGD O=C(NNC(=O)C1CSC1)C1CC1 864443705 GWCBPMWCGMOYLY-UHFFFAOYSA-N 200.263 -0.093 50 20 BBGD O=C(CN1CCCC1)NNC(=O)c1ccccn1 873723127 VGSVGTUNOZIVGK-UHFFFAOYSA-N 248.286 -0.062 50 20 BBGD CC(=O)NNC(=O)c1ccc(C)nc1O 1116606636 XUTCRIQJAJTCHM-UHFFFAOYSA-N 209.205 -0.123 50 20 BBGD CNC(=S)N(C)NC(=O)c1cnccn1 1118713202 MEMGTYIXSZVHSM-UHFFFAOYSA-N 225.277 -0.443 50 20 BBGD Cn1ncc(C(=O)NNc2cccnn2)c1N 1325382449 PGGQPDOOYFOLPS-UHFFFAOYSA-N 233.235 -0.451 50 20 BBGD Cc1ncncc1C(=O)N1CC[C@@H](B(O)O)C1 1329670381 AAODZUABWVMMBH-MRVPVSSYSA-N 235.052 -0.526 50 20 BBGD Cc1c(C(=O)NN=c2cc[nH]cc2)nnn1C 1342037135 QKYPXSJFQWNHFB-UHFFFAOYSA-N 232.247 -0.303 50 20 BBGD CN(C)[C@@H]1CCC[C@@H](C(=O)NNC(=O)CN)C1 1578411858 YMWPQFXDBWDGRT-RKDXNWHRSA-N 242.323 -0.787 50 20 BBGD O=C(NC[C@H]1CCC=CO1)NNC(=O)C(=O)O 1601481890 FXKYRKSVRNMLKA-ZCFIWIBFSA-N 243.219 -0.906 50 20 BBGD CO[C@H](C)CNCc1ccc(B(O)O)cc1 585036169 BLFYNBDAXBACPM-SECBINFHSA-N 223.081 -0.509 50 20 BBGD CCOCCC(=O)NNC(=O)N(C)C 728189722 SAKCZKOYHZAUCK-UHFFFAOYSA-N 203.242 -0.285 50 20 BBGD O=C(O)NCCC(=O)NNC(=O)C1CCC1 738656634 GDZOPASHUTXUQR-UHFFFAOYSA-N 229.236 -0.408 50 20 BBGD O=C(NN=CC1CC1)[C@@H]1CCS(=O)(=O)C1 755620026 CKSMUPIFMXYKGZ-MRVPVSSYSA-N 230.289 -0.067 50 20 BBGD Cn1ncc(C(=O)NNC(=O)C2CCC2)c1N 758143273 PILMVXQZAJNTHK-UHFFFAOYSA-N 237.263 -0.437 50 20 BBGD CN(NC(=O)c1ccc([N+](=O)[O-])n1C)C(N)=O 778415753 QBDCJOBAUMCYMP-UHFFFAOYSA-N 241.207 -0.411 50 20 BBGD C[C@H](O)C(=O)NNC(=O)c1ccccc1F 786682275 FUCSSAWONYEBLB-LURJTMIESA-N 226.207 -0.033 50 20 BBGD CC(C)C(=O)NNC(=O)CC1OCCO1 792808229 CZKIYWNJFFRMSJ-UHFFFAOYSA-N 216.237 -0.447 50 20 BBGD O=C(N=c1cc[nH]cc1)NNC(=O)c1cn[nH]c1 802024861 XFRBVECMFLJHDQ-UHFFFAOYSA-N 246.230 -0.307 50 20 BBGD CO[C@@](C)(C=NNC(=O)CO)C1CC1 814896313 SLMJKTYNDQUNCD-VIFPVBQESA-N 200.238 -0.104 50 20 BBGD CCNC(=O)N(C)NC(=O)C1(C)CNC1 817996359 AKVJUYRJYKXMTM-UHFFFAOYSA-N 214.269 -0.712 50 20 BBGD C[C@H](CO)N(C)NC(=O)c1cnn2c1CCC2 823917772 NLAQWJLPJASKHM-MRVPVSSYSA-N 238.291 -0.213 50 20 BBGD COCCN(C)NC(=O)COC[C@H]1CCCO1 848377184 ASXPZOINSVHQTI-SNVBAGLBSA-N 246.307 -0.209 50 20 BBGD O=C1CC[C@H](C(=O)NN=C2CCCOCC2)N1 863148276 YEWOMHIEQLLXCV-SECBINFHSA-N 239.275 -0.062 50 20 BBGD COCCN(C)NC(=O)c1cc2ncccn2n1 868241560 BWWWBDQDFGTECQ-UHFFFAOYSA-N 249.274 -0.048 50 20 BBGD COCCCNC(=O)NNC(=O)[C@H]1C[C@@H](O)C1 874194782 LNBPETVPTTUEAC-OCAPTIKFSA-N 245.279 -0.876 50 20 BBGD COc1ccc(C(=O)NN(C)C[C@@H](C)O)nn1 910163300 OVLZBEOCGPZSIM-SSDOTTSWSA-N 240.263 -0.557 50 20 BBGD CC(C)C(=O)NNC(=O)CN(C)C(=O)C1CC1 915688993 BMXMIVBUQRCWJV-UHFFFAOYSA-N 241.291 -0.342 50 20 BBGD Cn1nc(C(=O)NNc2ccncn2)cc1O 1118834748 DNKSQKPBTJOTHM-UHFFFAOYSA-N 234.219 -0.327 50 20 BBGD Cc1cc(CC(=O)N2CC[C@@H](B(O)O)C2)no1 1261844453 OZOHQVFMXIYRHJ-MRVPVSSYSA-N 238.052 -0.399 50 20 BBGD C=CC[C@H](NCc1cccc(B(O)O)c1)C(=O)O 1262157618 KHHPMXQPYKGOGF-NSHDSACASA-N 249.075 -0.515 50 20 BBGD CNC(=O)NNC(=O)c1c(C)ccnc1O 1320174147 KSMBRWMMUQSDSR-UHFFFAOYSA-N 224.220 -0.331 50 20 BBGD CNC(=O)c1cccc(C(=O)NNC(C)=O)n1 1324401775 XVTKYVRSSXZJFG-UHFFFAOYSA-N 236.231 -0.778 50 20 BBGD O=CN1CCC[C@@H]1C(=O)NNc1ncccn1 1327775637 ZIXGRXCLJFLAQF-MRVPVSSYSA-N 235.247 -0.460 50 20 BBGD Cc1nn[nH]c1C(=O)NN(C)[C@H](C)CO 1330878973 HJFUIGULMHVYLA-RXMQYKEDSA-N 213.241 -0.929 50 20 BBGD CC(C)(C)C(=O)NNC(=O)NCC1(N)CC1 1338747988 ZWPDQGLIFOYSHC-UHFFFAOYSA-N 228.296 -0.146 50 20 BBGD CC(=O)NNC(=O)[C@H](C)NC(=O)C(C)(C)C 31591250 MOLQMKNDRLSYEY-LURJTMIESA-N 229.280 -0.296 50 20 BBGD NNC(=O)[C@@H]1CN(Cc2ccccc2)CCO1 272266069 BFLBSAAFOQBGAW-NSHDSACASA-N 235.287 -0.123 50 20 BBGD Cn1c(C(=O)NNC(=O)CC2CC2)cccc1=O 294261837 UJBBTXGCWVXXID-UHFFFAOYSA-N 249.270 -0.054 50 20 BBGD CCOC[C@H](C)NCc1ccc(B(O)O)o1 585036813 NXUPUUURUJZBPB-QMMMGPOBSA-N 227.069 -0.526 50 20 BBGD CN1CC[C@@](O)(CNS(=O)(=O)CCl)C1 702549549 JEINYLTXXPIFPQ-SSDOTTSWSA-N 242.728 -0.831 50 20 BBGD CC(=O)N(C)CC(=O)NNC(=O)C1CCC1 732143168 VISDTZFTXFRWHB-UHFFFAOYSA-N 227.264 -0.588 50 20 BBGD CN1CCCC[C@H]1C(=O)NNC(=O)NC1CC1 737816040 AOSJCUWVFQOAHR-VIFPVBQESA-N 240.307 -0.037 50 20 BBGD CS[C@@H](C)CCC(=O)NNC(=O)CO 753439522 ZYNMQNHWTMHQDA-LURJTMIESA-N 220.294 -0.342 50 20 BBGD O=C(CC1OCCO1)NNC(=O)C1CC1 788620071 ATVCTHSOIJSOIT-UHFFFAOYSA-N 214.221 -0.693 50 20 BBGD C=C(CN(C)C)C(=O)NN(C)C(N)=O 798302002 LPRGSVYZYAULGJ-UHFFFAOYSA-N 200.242 -0.854 50 20 BBGD C[C@@](O)(C(=O)NNC(=O)C1CC1)C1CC1 804147396 BTPJVYSFANRVFR-JTQLQIEISA-N 212.249 -0.295 50 20 BBGD C[C@H](O)CN(C)NC(=O)c1ccnn1C 821217537 KIVCQNPHFIEENA-ZETCQYMHSA-N 212.253 -0.623 50 20 BBGD CCOC(=O)NCC(=O)NNc1ccncn1 857519853 GINCVYBYALBLQO-UHFFFAOYSA-N 239.235 -0.334 50 20 BBGD O=C(NNC(=O)[C@@H]1CCC=CO1)c1cn[nH]c1 862471045 OXGGGWTVHWYIFF-QMMMGPOBSA-N 236.231 -0.137 50 20 BBGD CCc1nn(C)cc1S(=O)(=O)NNC(C)=O 882659416 DOXXSMVACHWRKG-UHFFFAOYSA-N 246.292 -0.688 50 20 BBGD CCn1cc(CC(=O)NN(C)C[C@H](C)O)cn1 910158355 CNUYOWIOPINKPA-VIFPVBQESA-N 240.307 -0.211 50 20 BBGD C[C@@H]1C[C@@H](C(=O)O)CCC1=NNC(=O)C(N)=O 1324914253 QUJUWINKPBOUGI-RITPCOANSA-N 241.247 -0.535 50 20 BBGD O=C(C[C@@H]1CCC(=O)N1)NNc1cccnn1 1331155998 OHLMCBBCZUOTKR-ZETCQYMHSA-N 235.247 -0.412 50 20 BBGD O=C(NNC(=O)C1CCOCC1)c1cnc[nH]1 1349784770 BMZISDUNUSPKEG-UHFFFAOYSA-N 238.247 -0.403 50 20 BBGD O=C(NNC(=O)[C@H]1C[C@@H]1F)c1cc[nH]n1 1521733784 YWPWWIFUFTWWGI-WHFBIAKZSA-N 212.184 -0.471 50 20 BBGD C[C@]1(C(=O)NNC(=O)c2ccnnc2)CCCN1 1579509462 RCPZYNIKLCZUOR-LLVKDONJSA-N 249.274 -0.620 50 20 BBGD O=C(NNC(=O)[C@@H]1CCN1)c1cncc(F)c1 1580735850 FWIAGDFAAUSRBX-QMMMGPOBSA-N 238.222 -0.656 50 20 BBGD C[C@H](O)CN(C)NC(=O)C[C@@H](C)CC(=O)O 1593457361 RTOXKIWUDQKBTO-SFYZADRCSA-N 232.280 -0.169 50 20 BBGD NC(=O)NN=C1CCN(CCC(=O)O)CC1 1601156259 QQFKVBFFUNGWAY-UHFFFAOYSA-N 228.252 -0.419 50 20 BBGD Nc1ccc(C=NNC(=O)NCC(=O)O)cn1 1601215714 GXFPRJARWJLVLN-UHFFFAOYSA-N 237.219 -0.619 50 20 BBGD C[C@H](CC(=O)O)C(=O)NNC(=O)c1cn[nH]c1 1604094721 GMMMVOJRTKETIM-RXMQYKEDSA-N 240.219 -0.719 50 20 BBGD C[C@H](O)c1ncc(C=NNC(=O)C(=O)O)s1 1604389593 XFDYCGFFXAAQKQ-BYPYZUCNSA-N 243.244 -0.269 50 20 BBGD Cn1cc(C=C(C#N)C#N)c(=O)n(C)c1=O 1657788 OOTNCYPQOQHKSN-UHFFFAOYSA-N 216.200 -0.485 50 20 BBGD CC(C)N(C)CC(=O)NN(C)C(N)=O 181059244 AOFUCLBWWCIQQH-UHFFFAOYSA-N 202.258 -0.632 50 20 BBGD C[C@@H](NCc1ccc(B(O)O)o1)[C@@H]1CCCO1 585018561 YNWDGCNZBCMXRE-SCZZXKLOSA-N 239.080 -0.384 50 20 BBGD C[C@H]1CN(C)C[C@H]1NCc1ccc(B(O)O)cc1 585031501 WGUZSURKDIIEAD-GXFFZTMASA-N 248.135 -0.594 50 20 BBGD O=C(Cc1cc(F)c(F)cc1F)NCB(O)O 585061108 LHIYMNKVBCBWDK-UHFFFAOYSA-N 246.981 -0.225 50 20 BBGD CO[C@@H](C)C(=O)NNC(=O)c1c[nH]nc1C 732084010 DZWGDSPDGBJUQF-LURJTMIESA-N 226.236 -0.486 50 20 BBGD CN(CC1CC1)S(=O)(=O)NNC(=O)O 737408820 DGOIQNYOSWMGNG-UHFFFAOYSA-N 223.254 -0.655 50 20 BBGD O=C(O)NNS(=O)(=O)N1CCCCCC1 738662302 RWOZVGOTLUKOSA-UHFFFAOYSA-N 237.281 -0.121 50 20 BBGD C[C@H]1C[C@H]1C(=O)NNC(=O)C(=O)N1CCCC1 748247013 SEGTUEHMVYTPRT-JGVFFNPUSA-N 239.275 -0.588 50 20 BBGD CC(=O)NNC(=O)C(C)(C)OC(C)=O 779717181 PRYUPEPPYZRJIV-UHFFFAOYSA-N 202.210 -0.505 50 20 BBGD CCCNC(=O)NNC(=O)CC1OCCO1 793219555 KWRCJNWDRPPJIN-UHFFFAOYSA-N 231.252 -0.510 50 20 BBGD CNC(=O)NNc1ccc(-n2ccnc2)nn1 794799378 MXQXTTDLXVHRDX-UHFFFAOYSA-N 233.235 -0.082 50 20 BBGD COCCOCC(=O)NNC(=O)c1ccco1 811933033 YHEPPUFOXIJRKP-UHFFFAOYSA-N 242.231 -0.296 50 20 BBGD C=C[C@@](C)(O)C(=O)NNC(=O)NCCCOC 823809698 AGQFXSNVLHWZEU-SNVBAGLBSA-N 245.279 -0.710 50 20 BBGD CCO/C=C/C(=O)NN(C)[C@H](C)CO 823923122 PCRHOHCXNURDIX-HQZHTGGTSA-N 202.254 -0.120 50 20 BBGD C=C[C@H](O)C(=O)NN(C)C(=O)NCC 831853596 DUTGNYOPJOGZOP-LURJTMIESA-N 201.226 -0.774 50 20 BBGD CCNC(=O)NNC(=O)Cc1nonc1C 845298699 CYJSQAIQGGIJSJ-UHFFFAOYSA-N 227.224 -0.729 50 20 BBGD COCCN(C)NC(=O)[C@H]1CCCN1C=O 854409530 HQTPMCFXNMSTAQ-SECBINFHSA-N 229.280 -0.783 50 20 BBGD CNC(=S)N(C)NC(=O)[C@H](O)C(C)C 854920180 ACIRRNVNCSUGKH-ZCFIWIBFSA-N 219.310 -0.529 50 20 BBGD COC/C=C\C(=O)NNC(=O)c1cc(C)[nH]n1 867068974 FBSPIEMVJFBIQH-ARJAWSKDSA-N 238.247 -0.318 50 20 BBGD O=C(CO)NN=C1CCc2cccnc21 884446297 MUOIFXRLRNLMHO-UHFFFAOYSA-N 205.217 -0.160 50 20 BBGD NNC(=O)NC[C@H]1Cc2ccccc2CN1 892789197 LUKSMLCKNUFGGM-SNVBAGLBSA-N 220.276 -0.126 50 20 BBGD COc1ccnc(NNC(=O)c2cn[nH]c2)n1 917099762 WOMHDEZZGDZRBS-UHFFFAOYSA-N 234.219 -0.035 50 20 BBGD CON=CC(=O)NNC(=O)c1ccncc1 1117569354 JBMHDDKVQPXVAR-UHFFFAOYSA-N 222.204 -0.525 50 20 BBGD O=C(NNC(=O)N1CCOCC1)[C@@H]1C[C@@H]1F 1123630474 JZGQCVOJSREKPQ-RQJHMYQMSA-N 231.227 -0.583 50 20 BBGD C#CC(=O)NNc1nccc(N2CCOCC2)n1 1335561466 RXBXVJXTXMJSLL-UHFFFAOYSA-N 247.258 -0.611 50 20 BBGD Cc1n[nH]c(C)c1C=NNC(=O)CCO 1339926742 XKGJCYIKJKXZGI-UHFFFAOYSA-N 210.237 -0.141 50 20 BBGD C#CCCCC(=O)NNC(=O)CCC(=O)O 1588391173 BZVCIHWUPRABCB-UHFFFAOYSA-N 226.232 -0.198 50 20 BBGD Cc1nc(C)c(C(=O)NNC(=O)CO)s1 182764425 CZWAVJCXTLGINV-UHFFFAOYSA-N 229.261 -0.487 50 20 BBGD CC(=O)NNC(=O)[C@@H](CC1CCC1)NC(C)=O 279727802 NAZIVAXZNVSIST-SNVBAGLBSA-N 241.291 -0.151 50 20 BBGD COC(=O)NNC(=O)CCNC(=O)CC(C)C 495449232 UQNLLASJWQEYAG-UHFFFAOYSA-N 245.279 -0.074 50 20 BBGD CN(C(=O)c1cccc(B(O)O)c1)C1CC1 584935693 VARSTICPNVWBEF-UHFFFAOYSA-N 219.049 -0.399 50 20 BBGD C[C@H](CF)NCc1ccccc1B(O)O 585041524 QSYMHNFZACIXKI-MRVPVSSYSA-N 211.045 -0.186 50 20 BBGD OB(O)c1ccc(CN[C@H]2CCC[C@H]2F)o1 585043886 VYWMLFUDCPYWBH-BDAKNGLRSA-N 227.044 -0.060 50 20 BBGD CC(C)NC(=O)N1CC[C@H](B(O)O)C1 585057725 YEMRMSXIQVOZQG-ZETCQYMHSA-N 200.047 -0.347 50 20 BBGD CC1(C)C(=NNC(=O)C(N)=O)[C@@H]2CCCO[C@H]21 743421242 TWTVCOZHRQCDLV-POYBYMJQSA-N 239.275 -0.221 50 20 BBGD Cc1ncc(CO)c(C=NN(C)C(N)=O)c1O 767906618 BOYVYKGDRJRPHT-UHFFFAOYSA-N 238.247 -0.068 50 20 BBGD Cn1nncc1C(=O)NNC(=O)c1ccccc1 798346151 XHSBMTLOXMNHKL-UHFFFAOYSA-N 245.242 -0.110 50 20 BBGD CC(C)C(=O)NNC(=O)c1c[nH]nc1[N+](=O)[O-] 801599864 GOPWGRRCMMMJLU-UHFFFAOYSA-N 241.207 -0.265 50 20 BBGD COCCN(C)NC(=O)C1(O)CCCC1 808074648 HDBHTZCCAMXCAS-UHFFFAOYSA-N 216.281 -0.099 50 20 BBGD C=C[C@@H](O)C(=O)NNC(=O)c1ccccc1 816817136 UGIVASCXQMOXKP-SECBINFHSA-N 220.228 -0.006 50 20 BBGD COC(OC)C(=O)NNC(=O)[C@H]1CCO[C@@H]1C 824015684 CNCQZPVUGCJPTF-RQJHMYQMSA-N 246.263 -0.822 50 20 BBGD C[C@H]1CC(=NNC(=O)C(=O)NC2CC2)[C@H](C)O1 834932681 IGTJZRNNQCYLEP-BQBZGAKWSA-N 239.275 -0.066 50 20 BBGD CCn1nc(C)c(C(=O)NN(C)CCOC)n1 848378436 RAQLHOGGDBHIOU-UHFFFAOYSA-N 241.295 -0.171 50 20 BBGD C/C=C\c1cn(CC(=O)NNC(=O)C2CC2)nn1 881294107 VZNZDEUKOUKATL-IHWYPQMZSA-N 249.274 -0.131 50 20 BBGD O=C1CC[C@H]2[C@H](C(=O)N3CC[C@H](B(O)O)C3)[C@H]12 902552074 SHZFPMHBLDPOSN-MBLNEYKQSA-N 237.064 -0.713 50 20 BBGD CCOCC(=O)NNC(=O)NC[C@@H]1CCN1C 925410956 KVLUTLSCNOAYOG-QMMMGPOBSA-N 244.295 -0.943 50 20 BBGD CC(=O)NNC(=O)CC[C@@]1(C)CCC(=O)N1 1256317059 UTFZSPVMEHIMKO-SNVBAGLBSA-N 227.264 -0.397 50 20 BBGD CNC(=O)NNC(=O)C[C@H]1CCOC1 1326319713 ROBHYQSAMSWIFB-ZCFIWIBFSA-N 201.226 -0.627 50 20 BBGD CN(N)C(=O)CCCn1cnc2c(N)ncnc21 1573877410 PLXHZGFOCBUMFG-UHFFFAOYSA-N 249.278 -0.479 50 20 BBGD COCCCNC(=O)NNC(=O)C1CC1 54029764 BEIFPLRZVFOIQG-UHFFFAOYSA-N 215.253 -0.237 50 20 BBGD CNC(=O)NNC(=O)c1ccc(C)nc1 56375779 YLHYFZMPSKIRBE-UHFFFAOYSA-N 208.221 -0.036 50 20 BBGD OB(O)c1cccc(CNC[C@@H]2CCOC2)c1 585018282 TVEXGQGLHRRWNC-NSHDSACASA-N 235.092 -0.508 50 20 BBGD CNC(=O)NNS(=O)(=O)N1CCCCC1 742028525 QQRMQRPIHMCZPL-UHFFFAOYSA-N 236.297 -0.849 50 20 BBGD CN(NC(=O)CNc1ccc(C#N)cn1)C(N)=O 778417208 PZHSRAKRARWNMV-UHFFFAOYSA-N 248.246 -0.593 50 20 BBGD CCNC(=O)N(C)NC(=O)CCOCCOC 780712260 PGWPVWUEUQZINI-UHFFFAOYSA-N 247.295 -0.268 50 20 BBGD CC(=O)N1CC(C(=O)NNc2ncccn2)C1 788497575 PXOZEAAXEALMRN-UHFFFAOYSA-N 235.247 -0.602 50 20 BBGD O=C(NNC(=O)[C@H]1CCCO1)[C@H]1CCOC1 792616822 YTUQYEFLGLGSDW-JGVFFNPUSA-N 228.248 -0.651 50 20 BBGD CCNC(=O)N(C)NC(=O)[C@@H]1CCCCN1 843493661 MKQGWKBHVGDYEU-QMMMGPOBSA-N 228.296 -0.179 50 20 BBGD COC(=O)N(C)NC(=O)[C@H]1CC(C)=NO1 854410089 SNJBTIQSAXNDAC-ZCFIWIBFSA-N 215.209 -0.119 50 20 BBGD CCO[C@H]1C[C@H]1C(=O)NN(C)C(=S)NC 854925405 FQMGAPWLBIZNKP-RQJHMYQMSA-N 231.321 -0.121 50 20 BBGD C#CCCCC(=O)NNC(=O)Cc1ccn(C)n1 887146850 NKXUKPCQQORTMX-UHFFFAOYSA-N 248.286 -0.087 50 20 BBGD CO[C@]1(C(=O)NNC(=O)N(C)C)CCSC1 900427220 HDFJJJZAFFEZBF-SECBINFHSA-N 247.320 -0.189 50 20 BBGD CCOCCO[C@@H](C)C(=O)NNC(=O)C1CC1 918142991 MUNQZWVGDJVXOV-QMMMGPOBSA-N 244.291 -0.015 50 20 BBGD O=C(NNC(=O)c1cnn[nH]1)c1ccncc1 918281007 ZVRAIVMRUGNKFI-UHFFFAOYSA-N 232.203 -0.726 50 20 BBGD NC[C@H]1OCC[C@H]1C(=O)NNc1ncccn1 1327595674 AFBYWSBIRZKIGU-HTQZYQBOSA-N 237.263 -0.717 50 20 BBGD CNC(=O)NNC(=O)C1(COC)CCOCC1 1330109890 KWEGFAUBKXUZBP-UHFFFAOYSA-N 245.279 -0.610 50 20 BBGD CCN(CCO)NC(=O)c1cncnc1C 1348956235 VOMOHQXYTNFODE-UHFFFAOYSA-N 224.264 -0.256 50 20 BBGD COCC[C@@H](N)C(=O)NN(C)C1CC1 1574082350 DTRLZDGEEORIRX-MRVPVSSYSA-N 201.270 -0.524 50 20 BBGD NOCC(=O)NNC(=O)Cc1ccccc1F 1580358489 JGLCAWDHJTUVAI-UHFFFAOYSA-N 241.222 -0.594 50 20 BBGD CC(=O)NCCNC(=O)NNc1ncccn1 43141018 OHWDLFZFIMHGTK-UHFFFAOYSA-N 238.251 -0.761 50 20 BBGD CNC(=O)NNC(=O)CCc1cccnc1 49023630 CDHMKZCPIQLJTI-UHFFFAOYSA-N 222.248 -0.026 50 20 BBGD COC(=O)NCC(=O)NNC(=O)NC(C)C 49467723 MVIAAJBDKXVWHN-UHFFFAOYSA-N 232.240 -0.919 50 20 BBGD CCNC(=S)NNC(=O)NCCCOC 64937343 IXXMBNQWGVTCJI-UHFFFAOYSA-N 234.325 -0.279 50 20 BBGD C[C@@H]1CC[C@@H](CCC(=O)NNC(=O)CO)O1 182770058 GHIVIVJOYYGYGV-SFYZADRCSA-N 230.264 -0.526 50 20 BBGD CCO/C=C(/C#N)C(=O)NC[C@@H](O)COC 490944076 VFKUVWREHXHGJV-JGAIRUGNSA-N 228.248 -0.446 50 20 BBGD OB(O)c1ccccc1CNCC1(O)CCC1 585024450 XXNVTETXFWCUBL-UHFFFAOYSA-N 235.092 -0.629 50 20 BBGD OB(O)c1ccc(CN[C@H]2CC[C@H](O)CC2)cc1 585031757 JIPJTSFVUBJROD-JOCQHMNTSA-N 249.119 -0.241 50 20 BBGD O=C(Cc1cccc2cccnc12)NCB(O)O 585061654 XMUVNPYIQGUINR-UHFFFAOYSA-N 244.059 -0.095 50 20 BBGD O=C(CC1CC1)NNC(=O)[C@H]1COCCO1 744640637 AHQCFUKRZWXJIJ-MRVPVSSYSA-N 228.248 -0.651 50 20 BBGD CC[C@H](C)C(=O)NNS(=O)(=O)N(C)CC 746053485 CEQCABQJAWWMJB-ZETCQYMHSA-N 237.325 -0.150 50 20 BBGD CNC(=O)NNS(=O)(=O)CCOC(C)C 749013033 WWMGUOPYKGWLGY-UHFFFAOYSA-N 239.297 -0.825 50 20 BBGD Cc1nn[nH]c1C(=O)NNC(=O)CC(C)C 789890547 YSZHKRVEGVDDHM-UHFFFAOYSA-N 225.252 -0.080 50 20 BBGD CON=CC(=O)NNC(=O)C1CCCC1 809603455 FUGADXSSRDECKW-UHFFFAOYSA-N 213.237 -0.044 50 20 BBGD COC(=O)C[C@@H](C)CC(=O)NN(C)[C@H](C)CO 823924226 YQQOAOKCHDCZLF-DTWKUNHWSA-N 246.307 -0.081 50 20 BBGD C[C@@H](CO)N(C)NC(=O)[C@H]1CCCOC1 823959545 KXADEFMNIISGBB-IUCAKERBSA-N 216.281 -0.243 50 20 BBGD CO[C@@H](CC(C)C)C(=O)NNC(=O)CO 842248549 YOVAZMYHGNOTQR-ZETCQYMHSA-N 218.253 -0.813 50 20 BBGD C[C@@H](NNC(=O)c1nc[nH]n1)C(F)(F)F 862314744 IPWIURDUEFJADK-GSVOUGTGSA-N 223.158 -0.010 50 20 BBGD O=S(=O)(CCCCl)O[C@H]1CNOC1 882185945 NHZWCPNOFLJSNI-LURJTMIESA-N 229.685 -0.135 50 20 BBGD C=CC(=O)N(CC)CC(=O)NNC(=O)C(C)C 899946770 HYOJZVNJPUIMES-UHFFFAOYSA-N 241.291 -0.176 50 20 BBGD CCNC(=O)N(C)NC(=O)c1cncnc1 1116610579 ATELWVAMYHORAY-UHFFFAOYSA-N 223.236 -0.217 50 20 BBGD Cc1nn[nH]c1C(=O)NN(C)C[C@H](C)O 1119645139 ORYVKXFMMYNULY-YFKPBYRVSA-N 213.241 -0.929 50 20 BBGD CN(C)C(=O)NNC(=O)[C@H]1C[C@@]12CCOC2 1323944789 MOSRIKALVGHQGW-GMSGAONNSA-N 227.264 -0.285 50 20 BBGD C[C@@H](C(=O)N1CC[C@H](B(O)O)C1)N(C)C 1339117700 JSMKMFSVIGGSIX-YUMQZZPRSA-N 214.074 -0.988 50 20 BBGD CC(C)NC(=O)NNC(=O)c1cnnn1C 1339826947 SEUNIUZSDPKIKJ-UHFFFAOYSA-N 226.240 -0.833 50 20 BBGD C[C@@H](NC(=O)NNC(=O)C(=O)O)C1CCC1 1593101768 KMVDQJNIBHHSRU-RXMQYKEDSA-N 229.236 -0.410 50 20 BBGD Cn1cc(C=NNC(N)=O)cc1C(=O)O 1600944601 PFXCZGKVBSGVSL-UHFFFAOYSA-N 210.193 -0.275 50 20 BBGD O=C(O)C(=O)NN=Cc1cn(C2CCC2)nn1 1608531128 RGKDNKRTWNCRHR-UHFFFAOYSA-N 237.219 -0.462 50 20 BBGD Cc1cc(C)nc(NNC(=O)c2n[nH]c(=O)[nH]2)n1 48732788 JNLYTECGMGDWQU-UHFFFAOYSA-N 249.234 -0.738 50 20 BBGD CNC(=O)NC(=O)[C@@H](C)N1CC=C(C#N)CC1 272626945 JUHBSKSGOCLTEN-MRVPVSSYSA-N 236.275 -0.014 50 20 BBGD CC(C)(O)C(=O)NNC(=O)C(C)(C)F 278031833 UTTPPIDSEWHJRB-UHFFFAOYSA-N 206.217 -0.347 50 20 BBGD COC[C@H](NCc1ccccc1B(O)O)C1CC1 585029255 DRZXUEUFYHSETN-ZDUSSCGKSA-N 249.119 -0.119 50 20 BBGD C=CCOCC(=O)NNC(=O)NCCCOC 729343869 GUBFBJQKCVQAJM-UHFFFAOYSA-N 245.279 -0.444 50 20 BBGD CNC(=O)C1(C(=O)NNc2cnccn2)CCC1 734245633 YAZWADDBQFVVAK-UHFFFAOYSA-N 249.274 -0.164 50 20 BBGD Cc1cc(C(=O)NNC(=O)CC#N)n[nH]1 773537611 UDEPZUFEXOQCFK-UHFFFAOYSA-N 207.193 -0.607 50 20 BBGD N#Cc1cc(C(=O)NNC(=O)NC2CC2)c[nH]1 778652608 YPARWGVJQCGGIA-UHFFFAOYSA-N 233.231 -0.007 50 20 BBGD O=C(CC1CC1)NNC(=O)c1cc(=O)cc[nH]1 820757157 CIZCVVXMXJJVOP-UHFFFAOYSA-N 235.243 -0.064 50 20 BBGD CC(C)[C@@H](C(=O)NN(C)C[C@H](C)O)N(C)C 910166054 RKLJLEMMOFXDOQ-UWVGGRQHSA-N 231.340 -0.084 50 20 BBGD CCc1c(C(=O)NN(C)C[C@@H](C)O)cnn1C 910169187 YRYINNUQXXRIQF-MRVPVSSYSA-N 240.307 -0.060 50 20 BBGD CC(=NNC(=O)CN(C)C)c1ccc(O)nn1 1116744757 VWSPDJCPFKXRLV-UHFFFAOYSA-N 237.263 -0.416 50 20 BBGD COC(=O)NNC(=O)c1cnc(C)cn1 1317736722 UKIOQXYOEWMDRW-UHFFFAOYSA-N 210.193 -0.214 50 20 BBGD CCOCCC(=O)NNc1nccn(C)c1=O 1318920471 VLSOWVRTSUPODS-UHFFFAOYSA-N 240.263 -0.350 50 20 BBGD CC(C)NC(=O)NNC(=O)[C@@H]1CCC(=O)NC1 1324632656 XOVQRUNAPBQHKT-SSDOTTSWSA-N 242.279 -0.749 50 20 BBGD CCO/C=C(/C#N)C(=O)NCc1nc(O)n[nH]1 1334541050 YUWSUEDHMUKJCB-WAYWQWQTSA-N 237.219 -0.430 50 20 BBGD CCN(CCO)NC(=O)[C@H]1C[C@@H](C(=O)OC)C1 1358320196 IRQOMFXYCBPWLY-DTORHVGOSA-N 244.291 -0.469 50 20 BBGD O=C(NNC(=O)[C@@H]1[C@H]2CCNC[C@H]21)c1cc[nH]n1 1580736480 URCFZZMTFGSDQJ-LKEWCRSYSA-N 249.274 -0.974 50 20 BBGD O=C(O)CCCC(=O)NNC(=O)c1cc[nH]n1 1601978890 GOXJKWIRZVCRFD-UHFFFAOYSA-N 240.219 -0.574 50 20 BBGD O=C(NNC(=O)[C@@]1(C(=O)O)CCCO1)C1CC1 1605814595 JBEJHBSWQWUJAK-SNVBAGLBSA-N 242.231 -0.822 50 20 BBGD CNC(=O)NNC(=O)CN1CCSC1=O 56375260 SPFZHXOTELPOCI-UHFFFAOYSA-N 232.265 -0.885 50 20 BBGD COC[C@H](O)CNS(=O)(=O)CCl 70590875 AZPNTLITKUCZJB-RXMQYKEDSA-N 217.674 -0.891 50 20 BBGD Cc1cccc(NC(=O)NNC(=O)CO)n1 124242535 HWSCAZGRIORPRM-UHFFFAOYSA-N 224.220 -0.465 50 20 BBGD OCC1(CNCc2ccccc2B(O)O)CCC1 585034692 LODISQCMGIAFJM-UHFFFAOYSA-N 249.119 -0.381 50 20 BBGD CO[C@@H]1CC[C@H](NCc2ccc(B(O)O)o2)C1 585038181 VLONIBKONNMGOV-DTWKUNHWSA-N 239.080 -0.384 50 20 BBGD CC(=O)NNC(=O)[C@H](NC(=O)O)C(C)C 736155518 HEBFUAJXAJLRFV-ZCFIWIBFSA-N 217.225 -0.554 50 20 BBGD CC(=O)NNC(=O)c1ccc2nc(O)[nH]c2n1 773702051 UAAHPVMXVGNMRK-UHFFFAOYSA-N 235.203 -0.556 50 20 BBGD CCO[C@@H](CC)C(=O)NN(C)C(N)=O 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N#Cc1ccc(NNC(=O)[C@H]2COCCO2)nc1 899663278 BSIXOQNYKKDNRB-SECBINFHSA-N 248.242 -0.188 50 20 BBGD CC(=O)NNC(=O)[C@@H](C)NC(=O)c1ccccc1 913173217 HFWNWSYOQDJOTL-MRVPVSSYSA-N 249.270 -0.028 50 20 BBGD CCOC(=O)NNC(=S)NCC(=O)N(C)C 918716143 NKDGORYRTBMIOP-UHFFFAOYSA-N 248.308 -0.800 50 20 BBGD CC(C)CC(=O)NNC(=O)CS(C)(=O)=O 919684017 FTSSQRAHZCBZAH-UHFFFAOYSA-N 236.293 -0.776 50 20 BBGD CC(=O)NNC(=O)c1cc2c(cc1O)OCO2 920429932 FNOSXWYEYVOOTC-UHFFFAOYSA-N 238.199 -0.098 50 20 BBGD O=C(Cc1cc[nH]n1)NNC(=O)c1cnco1 1320113979 RSBCIKJVNSPJEP-UHFFFAOYSA-N 235.203 -0.599 50 20 BBGD CN(C)C(=O)NNC(=O)[C@@H]1C[C@]12CCOC2 1323944792 MOSRIKALVGHQGW-XVKPBYJWSA-N 227.264 -0.285 50 20 BBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@@H](O)C1CC1 1328740709 HASDPKWWUIJQFU-ZQARSLAVSA-N 242.275 -0.670 50 20 BBGD C[C@@H](O)CN(C)NC(=O)[C@@H]1[C@H]2CCCO[C@H]21 1336522291 UFGMKJQBHUFYEB-ZYUZMQFOSA-N 228.292 -0.245 50 20 BBGD CCNC(=O)NNC(=O)[C@@H]1CC[C@@H]1C(=O)O 1589908766 JCMDPAOEKDVSRQ-RITPCOANSA-N 229.236 -0.553 50 20 BBGD COc1ccsc1C(=O)NNC(=O)CO 180946231 NUDDHIJGWUXJRV-UHFFFAOYSA-N 230.245 -0.490 50 20 BBGD COCCn1cc(/C=C(\C#N)C(N)=O)cn1 490662319 AOVDJQVOVFJXMM-RUDMXATFSA-N 220.232 -0.078 50 20 BBGD CC1(C)C[C@H]1NC(=O)c1ccc(B(O)O)cc1 584934086 OYUHKZHTVFEBHX-SNVBAGLBSA-N 233.076 -0.105 50 20 BBGD CN(C(=O)NCB(O)O)C1CCCC1 585059220 FBYDEBYLCFRONV-UHFFFAOYSA-N 200.047 -0.418 50 20 BBGD O=C(NCB(O)O)c1[nH]nnc1-c1ccccc1 585062053 BZWIEHMUJNWALX-UHFFFAOYSA-N 246.035 -0.787 50 20 BBGD C[C@]1(C(=O)NCB(O)O)C[C@H]2CC[C@H]1C2 585062291 FRKCYDPYLPRPMK-NRPADANISA-N 211.070 -0.059 50 20 BBGD Cc1cc(C(=O)NNC(=O)Cc2cc[nH]n2)on1 730091561 KAZNQTXPKYZTKZ-UHFFFAOYSA-N 249.230 -0.290 50 20 BBGD CCOCCONC(=O)NNC(=O)C(C)C 773520762 PYFUBAXKHQURSR-UHFFFAOYSA-N 233.268 -0.059 50 20 BBGD CC[C@@H](CO)C(=O)NNC(=O)C(C)C 779724298 JSCQZVWCFHTOTL-ZETCQYMHSA-N 202.254 -0.192 50 20 BBGD CNC(=O)NNC(=O)[C@@H]1O[C@@H](C)C[C@@H]1C 800328522 PKPISZODSYNJEX-LYFYHCNISA-N 215.253 -0.240 50 20 BBGD CN1CC[C@@H](C(=O)NNC(=O)CC2CC2)C1 819114487 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O=C(NNc1nc[nH]n1)c1ccc(C(=O)O)nc1 1605820992 QDHWTTWTRVKDGW-UHFFFAOYSA-N 248.202 -0.345 50 20 BBGD O=C(CO)NNC(=O)Nc1ccc(F)nc1 183239726 KROLWLQKXQAJOG-UHFFFAOYSA-N 228.183 -0.634 50 20 BBGD CC(C)(C)C(=O)NNC(=O)[C@@H]1CCCC(=O)N1 270237929 KJUXPFFZXXPTOA-ZETCQYMHSA-N 241.291 -0.151 50 20 BBGD C#CCO[C@@H](C)C(=O)NN(C)CCOC 297248437 ZYSCLXGWAXADBH-VIFPVBQESA-N 214.265 -0.366 50 20 BBGD CC#CCCNC(=O)c1cc(B(O)O)ccc1F 584972004 KJXAPRMTVVRPOW-UHFFFAOYSA-N 249.050 -0.351 50 20 BBGD CC1(C(=O)NNC(=O)N2CCOCC2)COC1 782612039 HUNKLADDBBPDFN-UHFFFAOYSA-N 243.263 -0.904 50 20 BBGD Cc1c[nH]nc1C=NNC(=O)C(C)(C)O 814909244 JCDDYJYUCUOKBC-UHFFFAOYSA-N 210.237 -0.061 50 20 BBGD C[C@H](C(=O)NNC(=O)c1ncccn1)N(C)C 823683277 TXNXIPIXNBJGGE-SSDOTTSWSA-N 237.263 -0.812 50 20 BBGD C[C@H](NNC(=O)[C@@H](C)O)C(F)(F)F 862317064 UTRFLGJRCKGQMB-DMTCNVIQSA-N 200.160 -0.061 50 20 BBGD CC(=O)C1(C(=O)NNC(=O)c2cn[nH]c2)CC1 862469588 PEXTYFRKSJMOJD-UHFFFAOYSA-N 236.231 -0.460 50 20 BBGD COC(=O)[C@@H](NNC(=O)c1cn[nH]c1)C1CC1 863378441 MMWWGIIPRUKQKY-QMMMGPOBSA-N 238.247 -0.404 50 20 BBGD O=C(NN=Cc1cnsc1)C(=O)NC1CC1 872337504 GXGYRMDQBVNYCO-UHFFFAOYSA-N 238.272 -0.128 50 20 BBGD CN(C)CC(=O)NNC(=O)C1CSC1 896128094 GRYBFBOBRAPAEM-UHFFFAOYSA-N 217.294 -0.942 50 20 BBGD C[C@H](O)CN(C)NC(=O)[C@@H](O)C1CC1 910157622 RRKPBLLJGVKYSC-XPUUQOCRSA-N 202.254 -0.899 50 20 BBGD CC(C)=NNC(=O)[C@@H]1CCS(=O)(=O)C1 912808701 OZCSGHGRKNBITA-SSDOTTSWSA-N 218.278 -0.067 50 20 BBGD CNC(=O)NNC(=O)c1cccc(C#N)n1 1117665872 GJWCYANEPVDFCR-UHFFFAOYSA-N 219.204 -0.473 50 20 BBGD CCn1cc(C(C)=NNC(=O)C(N)=O)cn1 1318033850 CRYRFPDCVMPHMO-UHFFFAOYSA-N 223.236 -0.772 50 20 BBGD C[C@@H](CC=NNC(=O)[C@@H]1COCCO1)C(=O)O 1592463545 CZYLKXHVYQRICQ-YUMQZZPRSA-N 244.247 -0.385 50 20 BBGD CC[C@H](NCc1cccc(B(O)O)c1)C(=O)O 1593623811 SEXCFRHNMZZMFO-JTQLQIEISA-N 237.064 -0.681 50 20 BBGD OB(O)c1cc(O)nc([C@H]2CCCCN2)c1 1875251753 BHFTXYQDHKLZHJ-MRVPVSSYSA-N 222.053 -0.718 50 20 BBGD CCO[C@@H](C)C(=O)NNC(=O)c1c[nH]nc1C 109858577 QKADKAROPWZGGA-ZETCQYMHSA-N 240.263 -0.096 50 20 BBGD CN(C(=O)c1ccc(B(O)O)cc1)C1CC1 200497102 KJFCBMHGADYRTH-UHFFFAOYSA-N 219.049 -0.399 50 20 BBGD COC(=O)c1ccc(C=NNC(=O)CO)cc1 254315870 DMZWTYZYSOHLQB-UHFFFAOYSA-N 236.227 -0.084 50 20 BBGD CC(=O)OC(C)(C)C(=O)NNc1nnc[nH]1 293931643 NNZHRJYMPYMBAN-UHFFFAOYSA-N 227.224 -0.411 50 20 BBGD CCO/C=C(/C#N)C(=O)NC[C@@]1(O)CCOC1 490784449 ZIVJWFAKSRGWED-WDDYJBPVSA-N 240.259 -0.302 50 20 BBGD CCOCCO[C@H](C)C(=O)NNC(=O)OC 495448414 NWCHBTCMRHQWMU-SSDOTTSWSA-N 234.252 -0.185 50 20 BBGD O=C(COc1ccc(B(O)O)cc1)N1CCCC1 584909236 IXJSKEYFYCMJQT-UHFFFAOYSA-N 249.075 -0.632 50 20 BBGD CC[C@H](CCO)CNCc1ccc(B(O)O)o1 585028565 NAAVRVWELFPPMV-SECBINFHSA-N 241.096 -0.542 50 20 BBGD CCOC(C)(C)CNCc1ccc(B(O)O)o1 585037433 XTMRYRHOYBJYIW-UHFFFAOYSA-N 241.096 -0.136 50 20 BBGD CCC[C@@H](OCC)C(=O)NCB(O)O 585063267 VUHGAMHCXDZEMR-SSDOTTSWSA-N 203.047 -0.680 50 20 BBGD C[C@H](C#N)CN(C)CC(=O)NNC(=O)C1CC1 733194474 UFKKBPWWKRHFMM-MRVPVSSYSA-N 238.291 -0.365 50 20 BBGD CCCCN(C)S(=O)(=O)NNC(=O)O 736992167 BAMUQFNROICKAU-UHFFFAOYSA-N 225.270 -0.265 50 20 BBGD CO[C@@]1(C)CC(=NNC(=O)C(N)=O)C1(C)C 746559015 QFIIGQBCCYOKHS-JTQLQIEISA-N 227.264 -0.221 50 20 BBGD Cc1cc(NNC(=O)[C@@H]2CCC(=O)N2C)ncn1 753417189 STSZEWOLFINCOA-QMMMGPOBSA-N 249.274 -0.151 50 20 BBGD CC(C)[C@](C)(O)C(=O)NNC(=O)C(C)(C)O 768259511 GRSFBWXJGUFEIQ-JTQLQIEISA-N 232.280 -0.688 50 20 BBGD CCNC(=O)N(C)NC(=O)c1ccon1 770549380 PJGRLWOGUCBGNE-UHFFFAOYSA-N 212.209 -0.019 50 20 BBGD CCNC(=O)CC(=O)NNC(=O)C1CC1 780849486 YNTPVJTXEVRKCZ-UHFFFAOYSA-N 213.237 -0.930 50 20 BBGD CON=CC(=O)NNC(=O)CC(F)(F)F 809617400 PKQBIAKDKNMQGZ-UHFFFAOYSA-N 227.142 -0.282 50 20 BBGD CN(NC(=O)[C@@H]1CCC(=O)N1C)C1CC1 819650300 YHGDSQYEHVBVKH-QMMMGPOBSA-N 211.265 -0.267 50 20 BBGD CCN(CCO)NC(=O)CCn1cc(C)cn1 823852968 VIAHJFLBWUEVPI-UHFFFAOYSA-N 240.307 -0.073 50 20 BBGD CCN(CCO)NC(=O)[C@H](C)c1cnn(C)c1 823865316 NCVVSVSBPYJHQB-SECBINFHSA-N 240.307 -0.131 50 20 BBGD CCN(CCO)NC(=O)c1cncn1C 823879864 VETIDYAYTYZMHM-UHFFFAOYSA-N 212.253 -0.621 50 20 BBGD CCN(CCO)NC(=O)c1cc(O)n(C)n1 823889291 PWOBVGFTCZBLEO-UHFFFAOYSA-N 228.252 -0.915 50 20 BBGD C[C@H](CO)N(C)NC(=O)[C@H]1C[C@H]2CC(=O)[C@@H]1C2 823918574 YJWFPKWYEVZYMK-RGOKHQFPSA-N 240.303 -0.055 50 20 BBGD C=CCNC(=O)NNC(=O)[C@@H]1CCO[C@H]1C 825517911 BNQDIKMHVBALQM-JGVFFNPUSA-N 227.264 -0.072 50 20 BBGD O=C(CC1(O)CCC1)NNC(=O)c1cc[nH]n1 855354936 NPEGDHBSCGYLSE-UHFFFAOYSA-N 238.247 -0.524 50 20 BBGD CCN(CC#N)C(=O)c1cccc(B(O)O)c1 863871403 LUFJZBIUTQUWMK-UHFFFAOYSA-N 232.048 -0.648 50 20 BBGD CC(=O)NNC(=O)[C@@H]1CCCCN(C)C1=O 873739829 QELRBDYTHGUVMC-QMMMGPOBSA-N 227.264 -0.588 50 20 BBGD Cc1nocc1C(=O)NN(C)C[C@@H](C)O 910145444 BGKFDWXQMXHLJI-ZCFIWIBFSA-N 213.237 -0.060 50 20 BBGD O=C(CCCn1cncn1)NNC(=O)C1CC1 1119530114 SWHKXIWOUONQIA-UHFFFAOYSA-N 237.263 -0.384 50 20 BBGD CCOC(=O)NNC(=O)c1cncnc1 1254799221 HDBAVANYKDBJCL-UHFFFAOYSA-N 210.193 -0.133 50 20 BBGD NC(=O)C(=O)NN=Cc1ccc(F)nc1 1255261191 CQKGZVPTMIQNAM-UHFFFAOYSA-N 210.168 -0.844 50 20 BBGD CNC(=O)NNC(=O)[C@@H]1CCc2nccn2C1 1261666950 HHGSYLZHLYREDE-SSDOTTSWSA-N 237.263 -0.594 50 20 BBGD Cc1nnc(NNC(=O)[C@H]2CCCO2)nc1O 1318108237 ZPRXVPICEMBBNE-ZCFIWIBFSA-N 239.235 -0.492 50 20 BBGD CN(NC(=O)C[C@@H]1CCCOC1)C(N)=O 1321204137 FHEQLZVGYKZKNN-ZETCQYMHSA-N 215.253 -0.155 50 20 BBGD C=CCNC(=S)NNC(=O)c1[nH]nnc1C 1321624877 NOFKKYVKUWFFLU-UHFFFAOYSA-N 240.292 -0.592 50 20 BBGD O=C(C[C@H]1CCC(=O)N1)NNC(=O)NC1CC1 1327861694 FEBVIFFVBPCUTH-SSDOTTSWSA-N 240.263 -0.852 50 20 BBGD N#C/C=C/Cn1cc([N+](=O)[O-])cc(C(N)=O)c1=O 1333247140 WYODEQUOQUNNNO-OWOJBTEDSA-N 248.198 -0.065 50 20 BBGD C[C@@H](O)CN(C)NC(=O)[C@H]1CCC[C@@H](N)C1 1576270915 AYGXLCGHYUVGHS-KXUCPTDWSA-N 229.324 -0.152 50 20 BBGD O=C(O)CC(=O)NNc1ncncc1F 1601888228 PRCNBQSHJWDVPJ-UHFFFAOYSA-N 214.156 -0.467 50 20 BBGD C=C[C@H](NNC(=O)[C@H]1C[C@H]2CC[C@H]1O2)C(=O)O 1602819260 QXNMLDMQWRUHNJ-RYPBNFRJSA-N 240.259 -0.186 50 20 BBGD O=C(NNC(=O)C1CC1)c1nccn2ccnc12 78029063 HFZHWMDBNNJQTA-UHFFFAOYSA-N 245.242 -0.100 50 20 BBGD CCC[C@@H](NC(N)=O)C(=O)NNC(=O)C1CC1 268353281 DZWAIOKRGOMDDO-SSDOTTSWSA-N 242.279 -0.619 50 20 BBGD Cc1ncsc1C(=O)NNC(=O)C(C)(C)O 276289156 REKGOIZQUPDWRX-UHFFFAOYSA-N 243.288 -0.017 50 20 BBGD N=c1ncn(CC(=O)NCC(Cl)Cl)[nH]1 379540306 OPLYVNBCJBIQFA-UHFFFAOYSA-N 238.078 -0.389 50 20 BBGD CN(C)CC(=O)NNC(=O)[C@@H]1CCCCN1C 733359280 CAJLELFQASFKBT-VIFPVBQESA-N 242.323 -0.820 50 20 BBGD C=CCNC(=S)NNC(=O)[C@H]1C[C@H]1C(=O)O 736105606 ALJWOPOVHYKUAS-NTSWFWBYSA-N 243.288 -0.612 50 20 BBGD CCCNC(=O)NNC(=O)[C@H]1C[C@H]1C(=O)O 737028833 QCAMQUZSSCJDRH-NTSWFWBYSA-N 229.236 -0.553 50 20 BBGD CCN1CCC(=NNC(=O)C(N)=O)[C@H](C)C1 741451541 JEXNQKOAWIUEQL-SSDOTTSWSA-N 226.280 -0.694 50 20 BBGD CNC(=O)NNC(=O)[C@@H]1CCO[C@H]1C 770706401 PUCOSFBWTMTFDR-NTSWFWBYSA-N 201.226 -0.628 50 20 BBGD CN(NC(=O)COC1CCCC1)C(N)=O 778411191 CLRGJMHOGZYDTF-UHFFFAOYSA-N 215.253 -0.013 50 20 BBGD CN(C)C(=O)NNS(=O)(=O)c1ccoc1 795306056 JGGMPHFYVHCRMT-UHFFFAOYSA-N 233.249 -0.256 50 20 BBGD O=C(CC1CC1)NNC(=O)[C@]1(O)CCSC1 819117809 FMWYMZLRXBOJOE-JTQLQIEISA-N 244.316 -0.198 50 20 BBGD CC(C)(C)C(=O)NNC(=O)[C@H]1CCCN1C=O 822253353 YBJAGEAQJRTCIK-MRVPVSSYSA-N 241.291 -0.199 50 20 BBGD CC[C@@]1(C(=O)NN(C)[C@@H](C)CO)CCNC1=O 823901769 GSRSCRAZUGHTQT-GZMMTYOYSA-N 243.307 -0.754 50 20 BBGD CCn1cnc(C(=O)NN(C)[C@@H](C)CO)c1 823907464 LTEJSWBGCROVGP-QMMMGPOBSA-N 226.280 -0.140 50 20 BBGD COc1ccc(NNC(=O)[C@H]2CC(=O)N2)nc1 832646940 WHUSJIDTVYPCET-SSDOTTSWSA-N 236.231 -0.578 50 20 BBGD COCCN(C)NC(=O)CN1CCCNC1=O 848377556 PBJZCXCPQVYVBO-UHFFFAOYSA-N 244.295 -0.989 50 20 BBGD O=C(NNc1cccnn1)N[C@H]1CCNC1 851672942 ZTQFQLUJFNECBN-ZETCQYMHSA-N 222.252 -0.535 50 20 BBGD COCCN(C)NC(=O)C[C@@H]1CCC(=O)N1 854413895 UUJKNOOSAQCADA-QMMMGPOBSA-N 229.280 -0.736 50 20 BBGD C#CCCCC(=O)NNC(=O)[C@H](C)NC(C)=O 887139598 WFDDFPMOJJIJHS-QMMMGPOBSA-N 239.275 -0.538 50 20 BBGD C[C@H](O)CN(C)NC(=O)c1ccc2nn[nH]c2c1 910179743 NGYBUVOIZDMDCJ-ZETCQYMHSA-N 249.274 -0.085 50 20 BBGD C[C@H](C(=O)NNc1ccncn1)S(C)(=O)=O 1329616792 AZLMTRWEJHPRLY-ZCFIWIBFSA-N 244.276 -0.647 50 20 BBGD Cn1ccc(C=NNC(=O)[C@@H]2CCC(=O)N2)n1 1331723797 YTZFBTSLFACYKW-QMMMGPOBSA-N 235.247 -0.851 50 20 BBGD Cc1cc(C(=O)NNC(=O)NC2CC2)ncn1 1341200457 FLNNUKZHVCOHJL-UHFFFAOYSA-N 235.247 -0.109 50 20 BBGD CCO/C=C(/C#N)C(=O)NCc1nn[nH]n1 1348526222 XBEGZSGGRWWMJR-WAYWQWQTSA-N 222.208 -0.740 50 20 BBGD CC(C)[C@H](C(=O)O)C(=O)NNc1nc[nH]n1 1588807646 DGJHRMQFMVGYHQ-YFKPBYRVSA-N 227.224 -0.395 50 20 BBGD Cc1c[nH]nc1C=NNC(=O)NCC(=O)O 1600061700 DYIZNHVIMHNJCR-UHFFFAOYSA-N 225.208 -0.564 50 20 BBGD CCNC(=O)N(C)NC(=O)c1nonc1C 272635386 CHFFDJONGMFIBL-UHFFFAOYSA-N 227.224 -0.316 50 20 BBGD CC[C@H](CO)NCc1ccc(B(O)O)cc1 585015235 UDWCHNNBMMSRNC-LLVKDONJSA-N 223.081 -0.773 50 20 BBGD CCO[C@H](C)CNCc1ccccc1B(O)O 585032614 JZHMJKBVHMTCOA-SNVBAGLBSA-N 237.108 -0.119 50 20 BBGD CCC1(CNCc2cccc(B(O)O)c2)COC1 585044165 ABXFRQGABHLFKL-UHFFFAOYSA-N 249.119 -0.117 50 20 BBGD CCNC(=O)NNC(=O)COc1cccnc1 732062802 IPSJQHLPRXXEST-UHFFFAOYSA-N 238.247 -0.189 50 20 BBGD CN(C)CC(=O)NNC1=N[C@H]2C=C[C@H]1C2 739409953 LFPSRDTXZLNTQU-YUMQZZPRSA-N 208.265 -0.474 50 20 BBGD C[C@@H]1C[C@H]1C(=O)NNC(=O)C(=O)N1CCCC1 748247011 SEGTUEHMVYTPRT-HTQZYQBOSA-N 239.275 -0.588 50 20 BBGD CC[C@@H]1C[C@H](C(=O)NNC(=O)CO)CCO1 753442788 PIIIJPDMGPHBFO-HTQZYQBOSA-N 230.264 -0.669 50 20 BBGD COCCOCC(C)=NNC(=O)COC 761821407 GMQBBFFNCLWNST-UHFFFAOYSA-N 218.253 -0.212 50 20 BBGD CON=CC(=O)NNC(=O)c1cccn1C 774322703 LXFGBLVYKQXTBR-UHFFFAOYSA-N 224.220 -0.582 50 20 BBGD O=C(CO)NN=Cc1cnc2ccccn12 776775777 AYBLLWBOUXVYOW-UHFFFAOYSA-N 218.216 -0.223 50 20 BBGD COc1ccc(C(=O)NNC(=O)CO)cc1F 777781013 DULIATGINKIVOC-UHFFFAOYSA-N 242.206 -0.412 50 20 BBGD CC[C@H](CO)C(=O)NN=c1cc[nH]cc1 779836597 YRKZPEUTVRCDNV-MRVPVSSYSA-N 209.249 -0.035 50 20 BBGD O=C(NNC(=O)C1CC1)c1ccnc(C(=O)O)c1 833149206 IGSNUWDMYARTKB-UHFFFAOYSA-N 249.226 -0.049 50 20 BBGD CC(C)C(=O)NNC(=O)c1ccn2nnnc2c1 854215239 YVUPHVSRQGZNTC-UHFFFAOYSA-N 248.246 -0.459 50 20 BBGD C=CC(=O)N(C)CC(=O)NNC(=O)C(C)(C)C 858523286 QUOZOIFNBWMFKE-UHFFFAOYSA-N 241.291 -0.176 50 20 BBGD C[C@@H]1CC(=NNC(=O)[C@H]2CCC(=O)N2)CCO1 863147615 KDLSGTZWIYFSJN-VXNVDRBHSA-N 239.275 -0.064 50 20 BBGD CC(C)(C#N)CNC(=O)c1ccc(B(O)O)cc1 867319058 HPLKJWLUWQGRHZ-UHFFFAOYSA-N 246.075 -0.354 50 20 BBGD CC(=O)NN=Cc1cc(C(=O)O)nn1C 901124016 RKRZEGPSGPXRKB-UHFFFAOYSA-N 210.193 -0.412 50 20 BBGD C[C@H](O)CN(C)NC(=O)COC[C@H]1CCCO1 910167807 MTDZBVLUJSDRPI-VHSXEESVSA-N 246.307 -0.474 50 20 BBGD CC(=NNC(=O)C(=O)NC1CC1)c1cnccn1 1116076501 QRHAFTXFUMVCFR-UHFFFAOYSA-N 247.258 -0.405 50 20 BBGD CC#CCNC(=O)NNC(=O)[C@@H]1CCO[C@H]1C 1325974855 HRAXJKARWGWYMX-DTWKUNHWSA-N 239.275 -0.235 50 20 BBGD C=C[C@H](O)C(=O)NNc1ccc(C(=O)O)cn1 1573346495 AVPINTUWBOOOMO-ZETCQYMHSA-N 237.215 -0.230 50 20 BBGD CC(C[C@H]1CCC(=O)N1)=NNC(=O)C(=O)O 1592459162 JRBPPNBGZYWKOW-ZCFIWIBFSA-N 227.220 -0.768 50 20 BBGD O=C(O)C1(C(=O)NNc2nc[nH]n2)CC=CC1 1594867570 NYUBDAOIWSPZHE-UHFFFAOYSA-N 237.219 -0.331 50 20 BBGD CCN(CCO)NC(=O)C[C@@H](C)CC(=O)O 1596341116 YRLPFOPUKVABFI-MRVPVSSYSA-N 232.280 -0.167 50 20 BBGD CCO/C=C(/C#N)C(=O)NC[C@H](O)CC(=O)O 1596860619 AWNKJKDLBSWJLF-NFXKFNAJSA-N 242.231 -0.618 50 20 BBGD CC(=O)N(C)CC(=O)NNC(=O)c1ccccc1 46115953 DAICJDVRDYXJEQ-UHFFFAOYSA-N 249.270 -0.074 50 20 BBGD CCNC(=O)NNC(=O)[C@@H](C(C)C)N(C)C 110664150 FDKMHIDREDUWTC-MRVPVSSYSA-N 230.312 -0.077 50 20 BBGD COC(=O)NNC(=O)CN(C)C(C)C 158950986 WHSHBGMZYFRWQG-UHFFFAOYSA-N 203.242 -0.286 50 20 BBGD CC[C@H](COC)NCc1ccc(B(O)O)o1 585025544 WSIQMNILIHKNGF-MRVPVSSYSA-N 227.069 -0.526 50 20 BBGD CC[C@H](O)CCNCc1ccc(B(O)O)o1 585028424 JWZSNCHTHKXSIV-QMMMGPOBSA-N 227.069 -0.790 50 20 BBGD OB(O)c1cccc(CNCCCF)c1 585031090 QDHVCSFFMHRNRE-UHFFFAOYSA-N 211.045 -0.184 50 20 BBGD O=C(NCB(O)O)[C@@H]1CCOc2ccccc21 585061865 KJVBXBMGRDFSEG-SECBINFHSA-N 235.048 -0.319 50 20 BBGD CCC(COC)=NNC(=O)C(=O)NC1CC1 735972505 GHRRZXUPJQITHK-UHFFFAOYSA-N 227.264 -0.206 50 20 BBGD Cn1[nH]cnc1=NC(=O)NNC(=O)CC1CC1 757762961 XJTYRRYMEMSXQY-UHFFFAOYSA-N 238.251 -0.810 50 20 BBGD Cc1nnsc1C(=O)NNC(=O)C(C)(C)O 768243770 HOJWKALANGIBEW-UHFFFAOYSA-N 244.276 -0.622 50 20 BBGD CC(C)(O)CCC(=O)NNC(=O)C(C)(C)O 787571051 QSALKOJVAYCOIL-UHFFFAOYSA-N 232.280 -0.544 50 20 BBGD CCO[C@@H](C)C(=O)NNC(=O)C(C)(C)O 787947502 RGVASYIMYHPRTD-LURJTMIESA-N 218.253 -0.670 50 20 BBGD CN(C)CCC(=O)NNC(=S)NC1(C)CC1 789171980 DCCBNFAKXKFOSN-UHFFFAOYSA-N 244.364 -0.014 50 20 BBGD CCOCC(=O)NNC(=O)NC[C@@H](C)OC 821717891 CRAOSTZLTKROED-SSDOTTSWSA-N 233.268 -0.612 50 20 BBGD C[C@H](CO)N(C)NC(=O)[C@@H](O)c1cccnc1 823923933 VOGOWLMGQKPPKP-SCZZXKLOSA-N 239.275 -0.541 50 20 BBGD C[C@@H](CNS(=O)(=O)CCl)C(=O)O 846768899 FIVFNGNYWFFSFO-BYPYZUCNSA-N 215.658 -0.177 50 20 BBGD C=C[C@@](C)(O)CC(=O)NN(C)C(=S)NC 854920626 RDUIEPJXODFKNI-SECBINFHSA-N 231.321 -0.219 50 20 BBGD COCC(C)(C)C(=O)NNC(=O)c1cc[nH]n1 855357117 ASSRONYCZMIHMO-UHFFFAOYSA-N 240.263 -0.157 50 20 BBGD C[C@H](NNC(=O)Cn1cncn1)C(F)(F)F 862307064 HONKAAIHIWYBLC-YFKPBYRVSA-N 237.185 -0.150 50 20 BBGD CC[C@@H](C#N)C(=O)NNC(=O)c1cn[nH]c1 862469650 RTTGQVCEUWMPPB-LURJTMIESA-N 221.220 -0.280 50 20 BBGD CCc1nocc1C(=O)NNC(=O)CN(C)C 863865147 LDMMCKRPHNGUDQ-UHFFFAOYSA-N 240.263 -0.440 50 20 BBGD CCNC(=O)NNC(=O)[C@H](C)[C@H](O)CC 900386532 ZKQSADZPHMZFPF-RNFRBKRXSA-N 217.269 -0.256 50 20 BBGD C[C@@H](O)CN(C)NC(=O)c1cc2n(n1)CCO2 910148724 WLIJIPZXEUHPOY-SSDOTTSWSA-N 240.263 -0.767 50 20 BBGD C[C@@H](O)CN(C)NC(=O)C1(N(C)C)CC1 910148888 GLUJWMGSQHYKQZ-MRVPVSSYSA-N 215.297 -0.576 50 20 BBGD C[C@H](O)CN(C)NC(=O)c1ccc(C#N)n1C 910149185 HTWLRIHCCFCMJK-QMMMGPOBSA-N 236.275 -0.146 50 20 BBGD O=C(Cn1ccccc1=O)NNc1ncccn1 913044266 GXJYOOOFOYZFMW-UHFFFAOYSA-N 245.242 -0.218 50 20 BBGD Cc1nn[nH]c1C(=O)NN(C)[C@@H](C)CO 1330878974 HJFUIGULMHVYLA-YFKPBYRVSA-N 213.241 -0.929 50 20 BBGD CN(C)N(C(=O)CC#N)[C@@H]1CCS(=O)(=O)C1 1343776035 XPPCZGMKKAINIW-MRVPVSSYSA-N 245.304 -0.608 50 20 BBGD Cn1nncc1NNC(=O)[C@H]1CCCC[C@H]1N 1580025949 CSZLVMGPAAHBNT-JGVFFNPUSA-N 238.295 -0.224 50 20 BBGD O=C(CO)NNc1ncccc1C(=O)O 1594697604 NYZMMXCMWRRXEK-UHFFFAOYSA-N 211.177 -0.785 50 20 BBGD C[C@H](C(=O)O)C(=O)NNC(=O)[C@@H]1CCCCO1 1609701309 YYICGDHMRFBSBE-BQBZGAKWSA-N 244.247 -0.576 50 20 BBGD O=C(CCl)N1CCn2cnnc2C1 83920194 RCVNYDDGSHKDMG-UHFFFAOYSA-N 200.629 -0.141 50 20 BBGD CCOCC(=O)NNC(=O)c1cccn1C 102360942 HEOBDIAHKKGNLR-UHFFFAOYSA-N 225.248 -0.177 50 20 BBGD C[C@@H](CCO)NCc1ccc(B(O)O)cc1 585027490 AHVPTFJUGJYZGP-VIFPVBQESA-N 223.081 -0.773 50 20 BBGD OB(O)c1ccc(CN[C@@H]2C[C@@H]2C(F)F)o1 585048270 MKEYLJNHHWHTOW-NKWVEPMBSA-N 231.007 -0.297 50 20 BBGD O=C([C@H]1CCCS1)N1CC[C@@H](B(O)O)C1 585066107 LHUTXKXSKDFPRP-HTQZYQBOSA-N 229.110 -0.043 50 20 BBGD O=C(NCB(O)O)[C@@H]1C[C@H]2C[C@H]1[C@H]1C[C@@H]12 585067654 UCTWKHBJTMOAFG-XGQMLPDNSA-N 209.054 -0.593 50 20 BBGD Cc1cc(C)nc(NNC(=O)[C@H]2CCC(=O)N2)n1 729838918 YGRZGROVOMJUHO-MRVPVSSYSA-N 249.274 -0.185 50 20 BBGD O=C(NNC(=O)[C@@H]1[C@H]2CCCO[C@H]21)NC1CC1 780907120 GFUPKUDXUZPZEM-IWSPIJDZSA-N 239.275 -0.096 50 20 BBGD CC[C@](C)(OC)C(=O)NNC(=O)CN(C)C 795071631 ZFKGTUGHWYDLRP-JTQLQIEISA-N 231.296 -0.490 50 20 BBGD COCCN(C)NC(=O)C1=NN(C)C(=O)CC1 808075144 RLUJVUPYFFHFJQ-UHFFFAOYSA-N 242.279 -0.796 50 20 BBGD CC(C)N(C[C@@H](O)CO)S(=O)(=O)CCl 817150388 BCTCDBQYUBYNIA-SSDOTTSWSA-N 245.728 -0.424 50 20 BBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N1CC(F)C1 827260936 YAAXHBFBEAXHFU-XPUUQOCRSA-N 245.254 -0.194 50 20 BBGD C/C=C(/C)C(=O)NNC(=O)c1ncon1 832825714 FFAVDRQPUDJTHE-HYXAFXHYSA-N 210.193 -0.203 50 20 BBGD COCCCC(=O)NNC(=O)[C@H]1CCO[C@@H]1C 843645584 MZSDNCOFQUFLBJ-BDAKNGLRSA-N 244.291 -0.015 50 20 BBGD CNC(=S)N(C)NC(=O)CN(C)C(C)C 854926296 VDBMVDGFFXPQDU-UHFFFAOYSA-N 232.353 -0.206 50 20 BBGD C[C@H]1C[C@H](C(=O)NNC(=O)c2cc[nH]n2)CO1 855356427 LTMYXVKGTBEGLI-BQBZGAKWSA-N 238.247 -0.404 50 20 BBGD C=CC(=O)N(C)CC(=O)NNC(=O)NC1CC1 858779728 WSBWMIRDOOXPQP-UHFFFAOYSA-N 240.263 -0.876 50 20 BBGD CC[C@]1(C(=O)NN=c2cc[nH]cc2)CCNC1=O 867284793 QTUXPYGSCIELOX-LBPRGKRZSA-N 248.286 -0.137 50 20 BBGD CN1CCCC[C@H]1C(=O)NNc1nc[nH]n1 897777404 MSAYQUDHBUPOCD-ZETCQYMHSA-N 224.268 -0.268 50 20 BBGD O=C(NN=Cc1cc[nH]n1)C(=O)NC1CC1 1335767469 BYPUCDSBYOWNRU-UHFFFAOYSA-N 221.220 -0.862 50 20 BBGD COC(=O)NNC(=O)[C@@](C)(C#N)CC(=O)O 1610972526 SFOFWBXOAHNNAM-MRVPVSSYSA-N 229.192 -0.622 50 20 BBGD COCC(=O)NNC(=S)NC1CC1 7061587 CULCKSJPRWCJQU-UHFFFAOYSA-N 203.267 -0.710 50 20 BBGD O=S(=O)(CCl)N1CC[C@H](O)[C@H](CO)C1 307332237 ACCIYCOEBBFUAZ-BQBZGAKWSA-N 243.712 -0.812 50 20 BBGD C[C@@H]1OC(=O)N[C@H]1C(=O)NN(C)C1CC1 496499925 MJWREMFIDMUFIE-CAHLUQPWSA-N 213.237 -0.391 50 20 BBGD COCC1(C(=O)NNC(=O)OC)CCOCC1 497312411 IPRFPBXDBKKCKZ-UHFFFAOYSA-N 246.263 -0.183 50 20 BBGD O=C(Nc1cccc(B(O)O)c1)[C@@H](O)C1CCC1 584912595 SJKVYBOCRZGUOQ-NSHDSACASA-N 249.075 -0.534 50 20 BBGD Cc1nc(CNCc2cccc(B(O)O)c2)n[nH]1 585032190 CNEHJIKHZFKYJX-UHFFFAOYSA-N 246.079 -0.917 50 20 BBGD C[C@@H](Oc1cccc(F)c1)C(=O)NCB(O)O 585060176 AQZKXTIMROBJOO-SSDOTTSWSA-N 241.027 -0.279 50 20 BBGD CNc1snc(C)c1C(=O)NCB(O)O 585062454 IDVKFLJKVZBSFT-UHFFFAOYSA-N 229.070 -0.765 50 20 BBGD COCc1cc(C(=O)NNC(=O)C2CC2)no1 742472728 QBRUIXUYUQCXNM-UHFFFAOYSA-N 239.231 -0.008 50 20 BBGD COC1(C(=O)NNC(=O)CO)CCCC1 754287610 ZPTUEYXLGZSEDA-UHFFFAOYSA-N 216.237 -0.915 50 20 BBGD CN(C)CC(=O)NN=Cc1cccc(C(N)=O)c1 755689007 IOWSIHKQWIADLT-UHFFFAOYSA-N 248.286 -0.203 50 20 BBGD CC[C@@H](C(=O)NNC(=O)C(C)(C)O)N(C)C 768240966 HIWVXSZWEZQLLU-ZETCQYMHSA-N 231.296 -0.755 50 20 BBGD C[C@@H]1OCC[C@@H]1C(=O)NN(C)C(N)=O 778419007 YSUBGJMWVLJLPG-WDSKDSINSA-N 201.226 -0.547 50 20 BBGD COC(=O)CNC(=O)NN=CC1CCOCC1 779821295 SBMJWISBIXUUKT-UHFFFAOYSA-N 243.263 -0.129 50 20 BBGD COc1ccc(NNC(=O)Cn2cncn2)nc1 781519453 RGUSHIBEWXNPBT-UHFFFAOYSA-N 248.246 -0.175 50 20 BBGD C=CCNC(=S)NNC(=O)CC(=O)NCC 798304649 FHTRRHIKTXZIFJ-UHFFFAOYSA-N 244.320 -0.806 50 20 BBGD C=C(CN(C)C)C(=O)NN(C)C[C@@H](C)O 823674818 BPIWDMUKIMXPPX-SECBINFHSA-N 215.297 -0.552 50 20 BBGD CCN(CCO)NC(=O)[C@@H](NC=O)C(C)C 823897819 KOQYTAZLOBPLEI-VIFPVBQESA-N 231.296 -0.898 50 20 BBGD CNC(=O)NN=Cc1nccc(OC)n1 842524461 DNRTVKHDTRLCSK-UHFFFAOYSA-N 209.209 -0.252 50 20 BBGD COCC(=O)NNC(=O)[C@H]1CCO[C@@H]1C 843643116 LGMUVSBYHQNJRW-RQJHMYQMSA-N 216.237 -0.795 50 20 BBGD O=C(O)[C@@]1(NS(=O)(=O)CCl)CCOC1 849233137 WXUBQXZHTGPBRL-ZCFIWIBFSA-N 243.668 -0.654 50 20 BBGD CC(C)C(=O)NNC(=O)c1ccc(C(N)=O)[nH]1 856758339 DZYWGWXZJBQMDO-UHFFFAOYSA-N 238.247 -0.469 50 20 BBGD O=C(NCC1CC1)NNC(=O)[C@H]1C[C@@H](O)C1 874194208 FVXQHQCVAHSNJS-OCAPTIKFSA-N 227.264 -0.502 50 20 BBGD CNC(=O)NNC(=O)[C@@H]1CCN1C(C)(C)C 900352723 IUTNVVWVHAEMIQ-ZETCQYMHSA-N 228.296 -0.181 50 20 BBGD CN(C)S(=O)(=O)/C(C#N)=C\c1cnn(C)n1 901503653 UHDBUXJREDEGFH-YWEYNIOJSA-N 241.276 -0.429 50 20 BBGD O=C(NNC(=O)C1CCOCC1)C1=COCC1 923064653 IMWNLCYVLVZTED-UHFFFAOYSA-N 240.259 -0.135 50 20 BBGD O=C(CCCF)NNC(=O)C(=O)N1CCCC1 1118633635 CFWQHNCKMFILQK-UHFFFAOYSA-N 245.254 -0.494 50 20 BBGD Cc1noc(C)c1[C@@H](C)C(=O)NNC(=O)CO 1319869274 DFHSUTOIZXETRV-RXMQYKEDSA-N 241.247 -0.465 50 20 BBGD CC(C)(C=NNC(=O)C(N)=O)CCC#N 1320193984 SGHINPSDLWAOOK-UHFFFAOYSA-N 210.237 -0.096 50 20 BBGD O=C(C[C@H]1COCCN1)NNc1ncccn1 1326017094 VKYBMIDFKTWPSE-QMMMGPOBSA-N 237.263 -0.702 50 20 BBGD O=C(NNc1cccnn1)c1ncc[nH]1 1331167105 UWBQCWZGGMBAEP-UHFFFAOYSA-N 204.193 -0.043 50 20 BBGD CCNC(=S)NNC(=O)c1cc[nH]n1 1350006836 QPBQXIVONFJMMT-UHFFFAOYSA-N 213.266 -0.462 50 20 BBGD Cc1ccc2c(c1)C(=O)N(CC(=O)N(C)N)C2=O 1574158384 JTZFFGFYOQNQJK-UHFFFAOYSA-N 247.254 -0.077 50 20 BBGD O=C(O)c1cc(C(=O)NN=c2cc[nH]cc2)on1 1610810211 WNLVFMPGUXNUME-UHFFFAOYSA-N 248.198 -0.053 50 20 BBGD CNC(=O)NNC(=O)c1c(C)nn(C)c1C 48949855 IFESYZLVWVFVMV-UHFFFAOYSA-N 225.252 -0.389 50 20 BBGD COc1cccc(C(=O)NNC(=O)CO)c1 180955919 KDBHXIGHDPJXGY-UHFFFAOYSA-N 224.216 -0.552 50 20 BBGD CSSCCNC(=S)NCC(N)=O 393566545 MKBNIOPAUCNROR-UHFFFAOYSA-N 239.391 -0.053 50 20 BBGD CCO/C=C(\C#N)C(=O)N[C@@H]1CC(=O)N(C)C1 490754411 OLLMHWLUIPLOCM-FCZSHJHJSA-N 237.259 -0.223 50 20 BBGD COC(=O)NNC(=S)NCC(=O)NC(C)C 491039927 KDQKTDKKAWVWOU-UHFFFAOYSA-N 248.308 -0.754 50 20 BBGD CCOC(=O)NNC(=O)[C@H](CC(C)C)C(N)=O 497067658 WIQOHHPVLUAGDK-SSDOTTSWSA-N 245.279 -0.089 50 20 BBGD C[C@@H](NCc1ccc(B(O)O)o1)[C@@H]1CCOC1 585026907 LVPXJJSZABMGDX-RKDXNWHRSA-N 239.080 -0.526 50 20 BBGD O=S(=O)(NCB(O)O)c1ccc(F)cc1 585054945 UZTZUCCRXUEGOY-UHFFFAOYSA-N 233.029 -0.884 50 20 BBGD COC1CC(C(=O)N2CC[C@@H](B(O)O)C2)C1 585066096 JHFRUBYMJZTVIN-QJAFJHJLSA-N 227.069 -0.513 50 20 BBGD CCOCCNC(=S)NNC(=O)COCC 731161267 SBRNQIPZJDFQTI-UHFFFAOYSA-N 249.336 -0.445 50 20 BBGD CC(=O)N[C@@H](C)C(=O)NNC(=O)NC(C)C 745146449 VEUJLTQCBXNJIP-LURJTMIESA-N 230.268 -0.750 50 20 BBGD COCCCOCC(=O)NN(C)C(N)=O 778415413 GHYSYEUQIMCZDI-UHFFFAOYSA-N 219.241 -0.919 50 20 BBGD CON=CC(=O)NNC(=O)Cc1ccncc1 809706022 INHMDPTUUPCMTK-UHFFFAOYSA-N 236.231 -0.596 50 20 BBGD COC[C@H](C)[C@H](C)C(=O)NNC(=O)C(C)(C)O 813530343 PIPNIUSWRLETRA-YUMQZZPRSA-N 246.307 -0.177 50 20 BBGD CCCNC(=O)NNC(=O)[C@H](O)C1CC1 823952169 WGNNKSKAAORRSP-SSDOTTSWSA-N 215.253 -0.502 50 20 BBGD Cc1nonc1COc1ccc(B(O)O)cc1 864048250 KSVADHLLYBYQIA-UHFFFAOYSA-N 234.020 -0.363 50 20 BBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)C1CSC1 869068704 VDWJVOSGHJRNEW-XPUUQOCRSA-N 244.316 -0.078 50 20 BBGD COC(=O)N(C)NC(=O)NC[C@H](C)N(C)C 875645133 QXTMRGPCZHFWKG-ZETCQYMHSA-N 232.284 -0.151 50 20 BBGD C[C@H](O)CN(C)NC(=O)COc1cccnc1 910165234 IDDUKLIZDNHECJ-VIFPVBQESA-N 239.275 -0.196 50 20 BBGD CCO[C@@H]1C[C@@H]1C(=O)NN(C)C[C@H](C)O 910170020 IPOLPERSHHAWOS-XHNCKOQMSA-N 216.281 -0.245 50 20 BBGD CN(NC(=O)[C@H]1CCCc2nn[nH]c21)C(N)=O 1261733191 NPZMABPWAVRXMS-YFKPBYRVSA-N 238.251 -0.734 50 20 BBGD CN(C)C(=O)NNC(=O)[C@H]1CCN(C)C(=O)C1 1320705678 XUBJWRVQDZKLEL-ZETCQYMHSA-N 242.279 -0.843 50 20 BBGD C[C@H](Cc1cnc[nH]1)C(=O)NNC(=O)N(C)C 1329041085 XJCHATVEBOMMHJ-SSDOTTSWSA-N 239.279 -0.109 50 20 BBGD O=C(NNC(=S)NC1CC1)c1cc[nH]n1 1333146074 UFSASLQQPTXVOC-UHFFFAOYSA-N 225.277 -0.319 50 20 BBGD CN(C)N(C(=O)CC#N)[C@H]1CCS(=O)(=O)C1 1343776036 XPPCZGMKKAINIW-QMMMGPOBSA-N 245.304 -0.608 50 20 BBGD O=C(NCC1CC1)NNC(=O)c1ncccn1 1348536153 GSNFFXYGJYMTTF-UHFFFAOYSA-N 235.247 -0.169 50 20 BBGD CC(C)(C)OCC(=O)NNC(=O)C(C)(C)O 192920771 SIGOEOXPXBCCRI-UHFFFAOYSA-N 232.280 -0.280 50 20 BBGD CNCC(=O)NNc1nc(C)cc(C)n1 195124919 KDZNMGSFQHFILN-UHFFFAOYSA-N 209.253 -0.244 50 20 BBGD C=CCCC(=O)NNC(=O)N1CCN(C)CC1 278518506 BSFJGPMPCPBPPR-UHFFFAOYSA-N 240.307 -0.059 50 20 BBGD CC(=NNC(=O)CCO)c1ccc(=N)[nH]c1 378852241 GSAYJDCLWRROEQ-UHFFFAOYSA-N 222.248 -0.283 50 20 BBGD C[C@H](Cl)C(=O)N1C[C@H]2C(=O)N(C)C(=O)[C@@H]2C1 409432824 WLLNEKQWLWPXPN-RRKCRQDMSA-N 244.678 -0.313 50 20 BBGD OCC1(NCc2ccc(B(O)O)cc2F)CC1 585034794 UGYDRCOGFFLNTG-UHFFFAOYSA-N 239.055 -0.880 50 20 BBGD CC(=O)c1c(C)[nH]c(C(=O)NCB(O)O)c1C 585055910 GVTXFRMRSFXGRX-UHFFFAOYSA-N 238.052 -0.424 50 20 BBGD O=C(Cn1cccn1)NNc1cccnn1 736702427 ZLNJCBVGDKMVPY-UHFFFAOYSA-N 218.220 -0.184 50 20 BBGD CN(NC(=O)CC[C@@H]1CCCO1)C(N)=O 770439642 QZACDGVBNXMOOA-ZETCQYMHSA-N 215.253 -0.013 50 20 BBGD CC(C)C(=O)NNC(=O)c1cnnn1C 798831573 MMHIPBXUDLTKHB-UHFFFAOYSA-N 211.225 -0.768 50 20 BBGD COC[C@@H](C)[C@@H](C)C(=O)NN(C)C(N)=O 812542379 ZIHZQLBHXASVEZ-RNFRBKRXSA-N 217.269 -0.053 50 20 BBGD O=C(NN=C1COCCOC1)N1CCOCC1 814821119 LFRHPLRFSLAHKK-UHFFFAOYSA-N 243.263 -0.569 50 20 BBGD C=C[C@@H](O)C(=O)NNC(=O)c1ccc[nH]1 816824295 UZSQLJQDFKKSNO-SSDOTTSWSA-N 209.205 -0.677 50 20 BBGD CNC(=O)C1(C(=O)NN(C)C2CC2)CC1 819646957 GEVOSNXJFVFOSA-UHFFFAOYSA-N 211.265 -0.362 50 20 BBGD CN(NC(=O)[C@@H]1CSCC(=O)N1)C1CC1 823245610 RRHYURHONGKPOV-ZETCQYMHSA-N 229.305 -0.657 50 20 BBGD COC(=O)[C@H]1CC[C@H](C(=O)NN)CC1 825639675 QWTAFWOQGHIONZ-LJGSYFOKSA-N 200.238 -0.044 50 20 BBGD CONC(=O)NNC(=O)[C@H]1CCO[C@@H]1C 826940441 INWCIMDGRMUQJM-RITPCOANSA-N 217.225 -0.697 50 20 BBGD CCNC(=O)N(C)NC(=O)[C@@H](COC)OC 831853512 AYYQHWRLHCGYBE-SSDOTTSWSA-N 233.268 -0.660 50 20 BBGD C#CCNC(=S)NNC(=O)[C@H]1CCO[C@@H]1C 843277812 UHLUXKUVIYSBFM-SFYZADRCSA-N 241.316 -0.460 50 20 BBGD COCCN(C)NC(=O)CN(C)C(=O)C1CC1 848377276 GGPLTRQGWPYJGB-UHFFFAOYSA-N 243.307 -0.536 50 20 BBGD O=C(C=C1CCC1)NNC(=O)[C@H]1CCC(=O)N1 862456024 LTLZYKHHVNRGKZ-MRVPVSSYSA-N 237.259 -0.477 50 20 BBGD CN(C)C(=O)NNC(=O)[C@@H]1CCC(=O)C1 1118276956 WFDFHLAEOFJSBI-ZCFIWIBFSA-N 213.237 -0.342 50 20 BBGD COC[C@H](OC)C(=O)NNc1ccn(C)n1 1118770155 KNWUCTYGMTVKII-ZETCQYMHSA-N 228.252 -0.475 50 20 BBGD Cn1cc(C(=O)NNc2ccncn2)cn1 1118778422 QQOYSYUQULKZQH-UHFFFAOYSA-N 218.220 -0.033 50 20 BBGD Cc1nnc(NNC(=O)c2cc[nH]c2)nc1O 1251779957 XDHZGESQORTESA-UHFFFAOYSA-N 234.219 -0.029 50 20 BBGD Cn1nncc1C(=O)NN=c1cc[nH]cc1 1325140839 WQTHHKHXRGKWAY-UHFFFAOYSA-N 218.220 -0.611 50 20 BBGD CNC(=O)NNC(=O)c1[nH]c(C)nc1C 1331922343 HZNKOHWMMVHCMY-UHFFFAOYSA-N 211.225 -0.400 50 20 BBGD C[C@H](CO)N(C)NC(=O)CCc1cn[nH]c1 1339601364 APPBLUTXVKYQQC-MRVPVSSYSA-N 226.280 -0.314 50 20 BBGD COC[C@](C)(NC(=O)CCl)C(=O)O 1606788234 VWZCRMWQZJTNCM-ZETCQYMHSA-N 209.629 -0.169 50 20 BBGD NNC(=O)Cn1cc(Br)ccc1=O 37390179 ORNHFQCIABYFPS-UHFFFAOYSA-N 246.064 -0.399 50 20 BBGD Cn1c(=O)n(CCC(=O)NN)c2ccccc21 70160316 RKUVBEYOCDLVNS-UHFFFAOYSA-N 234.259 -0.280 50 20 BBGD CNS(=O)(=O)c1ccc(C(=O)NN)cc1 116310029 YHFJOFVAOMPNTB-UHFFFAOYSA-N 229.261 -0.802 50 20 BBGD CN(C)CC(=O)NNC(=O)[C@@H]1C[C@@H]1C1CC1 176131266 TVEAZAJGOKIVHS-RKDXNWHRSA-N 225.292 -0.259 50 20 BBGD O=C1C[C@@H](C(=O)NNc2ccccc2)NC(=O)N1 220239183 BHVQMFGLTIHEAJ-QMMMGPOBSA-N 248.242 -0.272 50 20 BBGD COC(=O)NNC(=O)CN(C)C(=O)OC 274185245 DYQXHYPPERHPBC-UHFFFAOYSA-N 219.197 -0.928 50 20 BBGD OB(O)c1cccc(CNC[C@H]2CCOC2)c1 585018281 TVEXGQGLHRRWNC-LLVKDONJSA-N 235.092 -0.508 50 20 BBGD CN(C)C(=O)NNC(=O)[C@H]1CCCN1C 733869763 JUDGJILJRBVUPN-SSDOTTSWSA-N 214.269 -0.617 50 20 BBGD CCC(=O)NNS(=O)(=O)CCOC(C)C 748790922 PROCIZAVODEIJQ-UHFFFAOYSA-N 238.309 -0.228 50 20 BBGD CC(=O)NN=C(C)c1cc(C(N)=O)n(C)c1 767033151 JSLXPMVOSQFUFF-UHFFFAOYSA-N 222.248 -0.016 50 20 BBGD COC[C@@H](C)C(C)=NNC(=O)C(N)=O 777878076 CHYIZIQVUJRRJM-RXMQYKEDSA-N 201.226 -0.754 50 20 BBGD CCCNS(=O)(=O)NN(C)C(=O)NCC 813694071 XDIRQNAUYAKEOU-UHFFFAOYSA-N 238.313 -0.603 50 20 BBGD CCN(CCO)NC(=O)[C@H](O)C1CC1 823884577 ADSGCUAJBRVYNG-MRVPVSSYSA-N 202.254 -0.897 50 20 BBGD COc1nccnc1NNC(=O)[C@@H](O)C1CC1 854950496 SFULAYKGKPHVMW-ZETCQYMHSA-N 238.247 -0.301 50 20 BBGD C#C[C@@](C)(CC)NC(=O)c1ccc(B(O)O)cc1 863883557 FLTFEIAMMDYBJX-ZDUSSCGKSA-N 245.087 -0.102 50 20 BBGD CC(=O)NNC(=O)/C=C/CN1CCOCC1 864427587 SWCBMLMDUZZRJD-NSCUHMNNSA-N 227.264 -0.958 50 20 BBGD CC[C@](C)(O)C(=O)NN(C)C(=O)OC 935909319 WRGKECFMXMQUAV-QMMMGPOBSA-N 204.226 -0.123 50 20 BBGD O=C([C@H]1CCCO1)N1CC[C@H](B(O)O)C1 1118916147 LFEIIJZKMJEIEW-JGVFFNPUSA-N 213.042 -0.759 50 20 BBGD CO[C@@H](C)CC(=O)NNc1nnc(C)c(O)n1 1325124149 XBLFNMPAXIZTAR-YFKPBYRVSA-N 241.251 -0.246 50 20 BBGD O=CN1CCC[C@@H]1C(=O)NNC(=O)NC1CC1 1328729655 NYMJOWAIRSQXSD-MRVPVSSYSA-N 240.263 -0.900 50 20 BBGD CC(C)(C)n1cc(C=NNC(=O)CCO)nn1 1343543657 LTOMTUOPVUHLHI-UHFFFAOYSA-N 239.279 -0.134 50 20 BBGD COC(=O)N(C)NC(=O)[C@]1(C(=O)O)CCCO1 1593855744 HRGPOCYOUKVIQH-VIFPVBQESA-N 246.219 -0.650 50 20 BBGD CNC(=O)NNC(=O)Cc1ccc(C)nc1 48950763 ZQWJNVVGNDYIAX-UHFFFAOYSA-N 222.248 -0.107 50 20 BBGD C[C@H]1CC[C@H](CC(=O)NNC(=O)CO)C1 182750112 RSHIRBSBIBVBRG-YUMQZZPRSA-N 214.265 -0.048 50 20 BBGD CC(=O)NNC(=O)CN1CCCCCC1=O 298314790 VGDJZBSKIIPKDS-UHFFFAOYSA-N 227.264 -0.444 50 20 BBGD C=CCCO[C@H](C)C(=O)NNC(=O)NC 299259927 HDVCWHZXLWRPBH-SSDOTTSWSA-N 215.253 -0.072 50 20 BBGD COC(=O)N(C)NC(=O)c1cnc(C)nc1N 496330368 RSMOWRSLEQOQRB-UHFFFAOYSA-N 239.235 -0.290 50 20 BBGD CC1(C(=O)NN)CN(c2cnccn2)C1 584879928 TUNJOOAJAKPCMJ-UHFFFAOYSA-N 207.237 -0.707 50 20 BBGD C[C@H](NCc1ccc(B(O)O)o1)[C@H]1CCOC1 585026905 LVPXJJSZABMGDX-IUCAKERBSA-N 239.080 -0.526 50 20 BBGD OB(O)c1cccc(CN[C@@H]2CCC[C@H]2O)c1 585047021 YTCINGBABHFAQS-VXGBXAGGSA-N 235.092 -0.631 50 20 BBGD C[C@H]1C[C@H](NCc2ccc(B(O)O)o2)CO1 585048009 IQQHWVGJSWIVDV-YUMQZZPRSA-N 225.053 -0.774 50 20 BBGD CC(C)(C)CS(=O)(=O)N1CC[C@H](B(O)O)C1 585058794 PZHKWOPTRNXMKJ-QMMMGPOBSA-N 249.141 -0.089 50 20 BBGD NC(=O)c1ccc(CN2CC[C@@H](B(O)O)C2)cc1 585078027 ZWLXSTDGWNYGJO-LLVKDONJSA-N 248.091 -0.166 50 20 BBGD Cc1nn(C)c(C)c1S(=O)(=O)NNC(=O)O 738376063 UAHUPBSFRREHOK-UHFFFAOYSA-N 248.264 -0.502 50 20 BBGD CCC(=O)NNC(=O)[C@@H](C)OC(C)=O 771884375 ZLOFVIRAEFBDJE-RXMQYKEDSA-N 202.210 -0.505 50 20 BBGD CCNC(=O)N(C)NC(=O)[C@@H]1CCN(C)C1=O 773701497 IRVJBNFGSUQNBO-ZETCQYMHSA-N 242.279 -0.843 50 20 BBGD C[C@@H](O)C(=O)NNC(=O)C1CCCC1 786757954 LQBIHBWGYFUMOX-ZCFIWIBFSA-N 200.238 -0.295 50 20 BBGD CCN(CCO)NC(=O)CCC(C)(C)O 823873972 JTOPLELVSSGAFQ-UHFFFAOYSA-N 218.297 -0.117 50 20 BBGD Cn1cc([C@H](O)C(=O)NN=c2cc[nH]cc2)cn1 857482327 ABYKODSRVUFJGY-JTQLQIEISA-N 247.258 -0.586 50 20 BBGD O=C(NNC(=O)c1ccccc1)N[C@@H]1CCNC1 861704619 BIROFUAJBNTYSK-SNVBAGLBSA-N 248.286 -0.008 50 20 BBGD OB(O)c1ccccc1CNCCN1CCCC1 877142869 XQGRKAOKSIOLBQ-UHFFFAOYSA-N 248.135 -0.448 50 20 BBGD CC(C)NC(=S)NNC(=O)[C@H]1COCCO1 915188117 TWDFBNHTLXEPII-SSDOTTSWSA-N 247.320 -0.695 50 20 BBGD CCn1cc(C(=O)NNC(=O)C2CC2)nn1 929232462 UBTLGQTVDCGJRG-UHFFFAOYSA-N 223.236 -0.531 50 20 BBGD C[C@@H](CO)N(C)NC(=O)[C@]1(F)CCOC1 1119105867 XQJCELNCNGIKSO-CBAPKCEASA-N 220.244 -0.541 50 20 BBGD C[C@@H](O)CN(C)NC(=O)[C@@H](C)n1cncn1 1119581855 NQJFDJHSEVWBJT-HTQZYQBOSA-N 227.268 -0.817 50 20 BBGD CCOCCNC(=O)NNC(=O)c1cn[nH]c1 1329709772 CSFMTILZZFDDNZ-UHFFFAOYSA-N 241.251 -0.610 50 20 BBGD C[C@H](O)CN(C)NC(=O)[C@@H]1CCN(C)C(=O)C1 1332629354 MHFAKVJQBAIFMV-DTWKUNHWSA-N 243.307 -0.801 50 20 BBGD C[C@H](O)CN(C)NC(=O)CCc1cn[nH]c1 1334202987 OCCMVQMLVMZZFS-QMMMGPOBSA-N 226.280 -0.314 50 20 BBGD C/C(C#N)=C/Cn1cc(-c2nn[nH]n2)nn1 1573558293 IVWNGSNQEDYWMZ-KXFIGUGUSA-N 216.208 -0.072 50 20 BBGD C[C@@H]1CC=CC[C@H]1NC(=O)NNC(=O)C(=O)O 1599848392 MSUTZUCSLMRQEE-RNFRBKRXSA-N 241.247 -0.244 50 20 BBGD CC(C)(C)n1cc(C(=O)NNC(=O)CO)cn1 180951342 UEIFEVQCHYBZDS-UHFFFAOYSA-N 240.263 -0.609 50 20 BBGD CO[C@@H](C)CCC(=O)NN(C)C(N)=O 184155185 BXVHSJFDSCSVCU-LURJTMIESA-N 203.242 -0.157 50 20 BBGD COC(=O)NNS(=O)(=O)C[C@@H](C)OC 495716434 ICFCGGHXDODSCG-RXMQYKEDSA-N 226.254 -0.788 50 20 BBGD OB(O)c1ccc(CN[C@@H]2CCC[C@H](O)C2)o1 585033138 YOQAKBXNSLIVHC-BDAKNGLRSA-N 239.080 -0.648 50 20 BBGD CCN(CC(=O)NNC(=O)NC1CC1)C1CC1 750857064 QNGPSOFYDOVPGX-UHFFFAOYSA-N 240.307 -0.037 50 20 BBGD O=C(CO)NNC(=O)Nc1cnn(C(F)F)c1 757865413 GDYGCDVBLSFDSR-UHFFFAOYSA-N 249.177 -0.577 50 20 BBGD CCN1CCOC[C@@H]1C(=O)NNC(=O)C(C)C 767180097 VHFSKUBYOAYOSZ-SECBINFHSA-N 243.307 -0.490 50 20 BBGD C[C@H](CO)N(C)NC(=O)CN(C)C(=O)C1CC1 823959407 HZWPORHYPOJZFU-MRVPVSSYSA-N 243.307 -0.801 50 20 BBGD O=C(CO)NN=Cc1cccc(-c2nn[nH]n2)c1 826415153 UAWRQEVVHPWTDA-UHFFFAOYSA-N 246.230 -0.691 50 20 BBGD O=C(NN=c1cc[nH]cc1)C1(n2cnnn2)CC1 831867960 LUVZPLXMHUWTOT-UHFFFAOYSA-N 245.246 -0.878 50 20 BBGD CC1(C(=O)NNC(=O)CS(C)(=O)=O)CCC1 863462145 IMFDVXGLLJMXTA-UHFFFAOYSA-N 248.304 -0.631 50 20 BBGD C#C[C@H](CC)NC(=O)c1cccc(B(O)O)c1 863879855 FEIGSCRYYBDBRU-LLVKDONJSA-N 231.060 -0.492 50 20 BBGD O=C(NOC1CCC1)c1ccc(B(O)O)cc1 863884134 ZKWPKYLAAYRETL-UHFFFAOYSA-N 235.048 -0.420 50 20 BBGD OB(O)c1cccc(CNC[C@H]2C[C@H](O)C2)c1 877810947 BSUAAJHVZQJWSP-UMSPYCQHSA-N 235.092 -0.773 50 20 BBGD C[C@@H]1COCC1=NNC(=O)C(C)(C)O 884453694 WJHZCQUJSNWQIE-ZCFIWIBFSA-N 200.238 -0.104 50 20 BBGD CN(C)C(=O)NNC(=O)CNc1ccccn1 900427318 IAVLLKDATZQAMC-UHFFFAOYSA-N 237.263 -0.204 50 20 BBGD O=C1CC[C@H](C(=O)NNC(=O)NCC2CC2)N1 1115999028 CPDHDHJYHDAIQE-SSDOTTSWSA-N 240.263 -0.995 50 20 BBGD O=C(NNC(=O)c1ccc[nH]1)N[C@@H]1CCOC1 1116722902 SGXVFXRPYJRRIX-SSDOTTSWSA-N 238.247 -0.252 50 20 BBGD COCCN(C)NC(=O)c1cnnc(O)c1 1118803555 YNYHVCUMCDNJQI-UHFFFAOYSA-N 226.236 -0.595 50 20 BBGD COCCCNC(=O)/C(C#N)=C\c1ncnn1C 1119989157 FPWXCFVSNZHLNQ-TWGQIWQCSA-N 249.274 -0.125 50 20 BBGD CCCNC(=O)NNC(=O)c1cn(C)cn1 1253694266 KKVSTCIJRJEHNN-UHFFFAOYSA-N 225.252 -0.226 50 20 BBGD CC(=O)NNC(=O)[C@H](C)[C@@H](C)S(C)(=O)=O 1321170520 QVJICMRFWAMIJJ-PHDIDXHHSA-N 236.293 -0.777 50 20 BBGD N#CCC(=O)NNC(=O)CC(F)(F)F 1328418699 ZTOSYDPLPKGWIT-UHFFFAOYSA-N 209.127 0.000 50 20 BBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)CCCCO 1348728461 KKHADBAYMRXIAX-DTWKUNHWSA-N 244.291 -0.279 50 20 BBGD CC(C)NC(=S)NNC(=O)CC1COC1 1350575005 WDTOBWVWSKANPN-UHFFFAOYSA-N 231.321 -0.073 50 20 BBGD Cc1nc(CC(=O)NNc2ccncn2)n[nH]1 1351244338 KFVBCVBYHAGVDI-UHFFFAOYSA-N 233.235 -0.411 50 20 BBGD C#CCCCC(=O)NNC(=O)C1CCNCC1 1574067158 KVRUEEZOWMUKBJ-UHFFFAOYSA-N 237.303 -0.063 50 20 BBGD C[C@@H](CO)N(C)NC(=O)[C@@H]1CCCCN1 1574067256 MXYHZCJSCHHEKC-IUCAKERBSA-N 215.297 -0.528 50 20 BBGD O=C(NCC1=CCCC1)NNC(=O)C(=O)O 1608433549 ZWZQABOWCOPYNG-UHFFFAOYSA-N 227.220 -0.488 50 20 BBGD O=C(NCC1CC1)NNC(=O)c1cnns1 49166332 CYYIJJOBTLJRPR-UHFFFAOYSA-N 241.276 -0.108 50 20 BBGD CN(C)CC(=O)NNC(=O)Cc1ccsc1 113428129 VXCKVOZEMGZJNL-UHFFFAOYSA-N 241.316 0.000 50 20 BBGD CCC(=O)NNC(=O)Nc1cnn(C)c1 755492674 JJCBTBPZVAXQOL-UHFFFAOYSA-N 211.225 -0.017 50 20 BBGD CNC(=O)NN=Cc1cccn1CC(=O)OC 776181710 ZHKRGQQBOPWPAF-UHFFFAOYSA-N 238.247 -0.076 50 20 BBGD CCS(=O)(=O)CC(=O)NNC(=O)CC1CC1 819135979 IDVWGUFRRJXGCQ-UHFFFAOYSA-N 248.304 -0.631 50 20 BBGD C[C@@H](CO)N(C)NC(=O)[C@@H]1CCOC1 823384122 CHGGFCAOZFCTRR-JGVFFNPUSA-N 202.254 -0.633 50 20 BBGD C[C@@H](CO)N(C)NC(=O)[C@@H]1CO[C@H](C)C1 823935842 WQXXQDFJQAIFKI-YIZRAAEISA-N 216.281 -0.245 50 20 BBGD CCOCC(=O)NNC(=O)NC[C@H](C)C(=O)O 848585751 OQJUQIQFDINHRR-LURJTMIESA-N 247.251 -0.926 50 20 BBGD C/C=C(/CC)C(=O)NNC(=O)[C@H]1CCC(=O)N1 862458826 JPDDFOLWGAVUCM-LSFDQVSLSA-N 239.275 -0.231 50 20 BBGD COC(=O)NNC(=O)[C@@H]1[C@H]2CCC(=O)[C@H]21 891772397 NATCDYZGGWDDON-JSKYLQRQSA-N 212.205 -0.401 50 20 BBGD CCS(=O)(=O)CC(=O)NNC(=O)C(C)C 919683063 OBLCCOQIGWYJBO-UHFFFAOYSA-N 236.293 -0.776 50 20 BBGD COCCNC(=O)/C(C#N)=C/c1cn(C)nn1 1116119494 ILBMTMHRPWMEBD-VMPITWQZSA-N 235.247 -0.515 50 20 BBGD COCC(=NNC(=O)C(=O)OC)C(C)C 1116191715 MVAFCXHDQQBYPM-UHFFFAOYSA-N 216.237 -0.066 50 20 BBGD O=C(NNC(=O)N1CC(F)C1)c1cn[nH]c1 1118810428 ILNQSGNFOQNASN-UHFFFAOYSA-N 227.199 -0.582 50 20 BBGD C[C@@H](CO)N(C)NC(=O)c1csc(O)n1 1119048044 RQRGLLWOBWWWIQ-YFKPBYRVSA-N 231.277 -0.194 50 20 BBGD COC(=O)NNC(=O)c1ccc(OC)nn1 1254944126 IRWOEPCDWAXZTE-UHFFFAOYSA-N 226.192 -0.514 50 20 BBGD CC(=O)NNC(=O)[C@H]1CCCCS1(=O)=O 1320367207 LWEBTDHKWZMYDA-SSDOTTSWSA-N 234.277 -0.879 50 20 BBGD CC(C)NC(=O)NNC(=O)c1cccnn1 1329209640 ZKWSJNWVRUQEHF-UHFFFAOYSA-N 223.236 -0.171 50 20 BBGD O=C1CC[C@@H](C(=O)NNc2cccnn2)CN1 1342264559 YBUNVBBMWIEJGK-SSDOTTSWSA-N 235.247 -0.554 50 20 BBGD C[C@@H]1C[C@@H](C(=O)O)CCC1=NNC(=O)CO 382033835 VDVVENOWIDNSCA-RQJHMYQMSA-N 228.248 -0.028 50 20 BBGD CC(C)OCC(=O)Nc1cccc(B(O)O)c1 404984498 SZRBCFDZUKSMIZ-UHFFFAOYSA-N 237.064 -0.270 50 20 BBGD CO[C@@H](C)C(=O)NNC(=O)Cc1ccncc1 747323358 WWRVIWIQIKRQJT-QMMMGPOBSA-N 237.259 -0.194 50 20 BBGD CNC(=O)NNC(=O)c1cccc(OC)n1 752513083 CAOKXJNSSUFOQY-UHFFFAOYSA-N 224.220 -0.336 50 20 BBGD C[C@H](NS(C)(=O)=O)C(=O)NN=C[C@H]1C[C@H]1C 758371638 YCEGGIGVWFYWTC-GJMOJQLCSA-N 247.320 -0.318 50 20 BBGD CNC(=O)NNC(=O)C(=O)N1CCC[C@H](C)C1 769689540 NYDXMAPRPNUPGQ-ZETCQYMHSA-N 242.279 -0.795 50 20 BBGD C[C@@H](CC(N)=O)C(=O)NNC(=O)C1CCC1 773955255 LYQPNLROMWOPPD-LURJTMIESA-N 227.264 -0.555 50 20 BBGD CO[C@H](C)C(=O)NNC(=O)N1CCN(C)CC1 788168760 BTIYPVOARJHKKN-MRVPVSSYSA-N 244.295 -0.991 50 20 BBGD CNC(=O)NNC(=O)[C@H](OC)C1CC1 792086679 XGWSSPCFJRHVAT-ZCFIWIBFSA-N 201.226 -0.628 50 20 BBGD C[C@@H](C(=O)NNC(=O)CC1CC1)N(C)C 819114881 UOGJAZICYBDGBO-ZETCQYMHSA-N 213.281 -0.116 50 20 BBGD CCN(CCO)NC(=O)Cc1cc(C)no1 823884636 CIUQPPCAANUTGC-UHFFFAOYSA-N 227.264 -0.129 50 20 BBGD CCONC(=O)NNC(=O)[C@H]1CCO[C@@H]1C 825559311 YNVXUXRFGGASHP-RQJHMYQMSA-N 231.252 -0.307 50 20 BBGD CO[C@@H]1COC[C@H]1NS(=O)(=O)CCl 828059072 AITNUXUSZFODRB-PHDIDXHHSA-N 229.685 -0.484 50 20 BBGD C=C[C@H](NNC(=O)[C@@H]1CCO[C@H]1C)C(=O)OC 843288349 AVYSRSZAYPQZIT-YIZRAAEISA-N 242.275 -0.240 50 20 BBGD COC(=O)Cc1ccc(NNC(=O)CO)cc1 846377610 GWTXWZWUFVGXQK-UHFFFAOYSA-N 238.243 -0.163 50 20 BBGD C#CCOCCC(=O)NN(C)C(=S)NC 854922596 DBMRDPVWRQLKLA-UHFFFAOYSA-N 229.305 -0.506 50 20 BBGD CC[C@H]1COCC1=NNC(=O)CS(C)(=O)=O 863184130 ULVKBFDBHBLSMC-ZETCQYMHSA-N 248.304 -0.440 50 20 BBGD CS(=O)(=O)CC(=O)NNC(=O)CC1CCC1 863463353 XRSUABFJCFIACV-UHFFFAOYSA-N 248.304 -0.631 50 20 BBGD C#CCSCCNCc1cccc(B(O)O)c1 863887962 BCGONNDTGDXELZ-UHFFFAOYSA-N 249.144 -0.178 50 20 BBGD COC/C(C)=C\C(=O)NN(C)C[C@@H](C)O 910140497 IMMCXOXHOUDFGV-BZJXQOFCSA-N 216.281 -0.077 50 20 BBGD C[C@@H](C(=O)NN(C)[C@H](C)CO)c1cnccn1 911445497 WZNDZPJTUVFFQM-RKDXNWHRSA-N 238.291 -0.076 50 20 BBGD CCNC(=O)NNC(=O)/C=C/c1cn(C)cn1 930731605 GKJPKPDJYFVWEN-SNAWJCMRSA-N 237.263 -0.216 50 20 BBGD CC(C)NC(=S)NNC(=O)c1cnnn1C 1116900802 SJXMEEIXKLYOMG-UHFFFAOYSA-N 242.308 -0.668 50 20 BBGD C[C@H](O)CN(C)NC(=O)CNC(C)(C)C 1119646024 YOHBWFWZNVWAOT-QMMMGPOBSA-N 217.313 -0.282 50 20 BBGD CC(=O)N(C)CC(=O)NNc1cccnn1 1320056708 GZERQOYTLHRCKJ-UHFFFAOYSA-N 223.236 -0.602 50 20 BBGD CN(NC(=O)c1cccc(C(N)=O)c1)C(N)=O 1320141584 CHUSFINBPIWNNH-UHFFFAOYSA-N 236.231 -0.559 50 20 BBGD NC[C@@H]1C[C@@H]1C(=O)NNc1ncncc1F 1580326283 DZOZZTAWVOMHLE-WDSKDSINSA-N 225.227 -0.346 50 20 BBGD CC(=O)OC(C)(C)C(=O)NNC(=O)C(C)(C)O 278047018 WLRADNJSYOAKRZ-UHFFFAOYSA-N 246.263 -0.754 50 20 BBGD COC(=O)C[C@H](C)CC(=O)NN(C)C(N)=O 289382640 CSYNKQJFCOVOLN-ZCFIWIBFSA-N 231.252 -0.383 50 20 BBGD CC1(C)[C@@H](O)C[C@@H]1NCc1ccc(B(O)O)cc1 585036041 CLKAEICIZYBVHF-RYUDHWBXSA-N 249.119 -0.385 50 20 BBGD OB(O)[C@H]1CCN(c2ncnc3[nH]cnc23)C1 585072675 DBWCMYZWWXUVJD-LURJTMIESA-N 233.040 -0.594 50 20 BBGD CN(C)CCCCC(=O)NNC(=O)C(C)(C)O 768255709 NTZJHEKQZGXFRY-UHFFFAOYSA-N 245.323 -0.363 50 20 BBGD COC(=O)Cn1cccc1C=NNC(N)=O 776178066 ZZFSPQUOCPBJEW-UHFFFAOYSA-N 224.220 -0.337 50 20 BBGD CCn1cc(CC(=O)NN(C)C(N)=O)cn1 780977004 CMPQQQYWAHLKMX-UHFFFAOYSA-N 225.252 -0.513 50 20 BBGD CNC(=O)NCCC(=O)NNC(=O)C(C)C 814221190 SXVUTVOHAKXWFN-UHFFFAOYSA-N 230.268 -0.891 50 20 BBGD CCC(=O)N[C@@H](C)C(=O)NN(CC)CCO 823846231 GEIOHLNDSHREQL-QMMMGPOBSA-N 231.296 -0.754 50 20 BBGD CC[C@@H](NC(C)=O)C(=O)NN(C)[C@H](C)CO 823907139 INSUWNGYXAGBNF-VXNVDRBHSA-N 231.296 -0.755 50 20 BBGD CCCOCC(=O)NNC(=O)[C@@H]1CCO[C@H]1C 843648981 SRKRAXFRNFIQTE-DTWKUNHWSA-N 244.291 -0.015 50 20 BBGD COCCN(C)NC(=O)c1ccc(=O)n(C)c1 848377511 MSGGULBCWXBKMP-UHFFFAOYSA-N 239.275 -0.392 50 20 BBGD C[C@H]1COC(=O)C1=NNC(=O)c1cn[nH]c1 863154142 OVMIKGMMOSZSED-YFKPBYRVSA-N 222.204 -0.312 50 20 BBGD NNC(=O)c1ccc(C(=O)N2CCOCC2)cc1 876789979 OSBCIZFKMYYVDN-UHFFFAOYSA-N 249.270 -0.238 50 20 BBGD COCC1CN(C(=O)c2ccc(B(O)O)cc2)C1 911967075 MPNVXOUSUVFNBB-UHFFFAOYSA-N 249.075 -0.915 50 20 BBGD CCNC(=S)NNC(=O)CCN(C)C 916124423 HJYSIRCTJGUPNC-UHFFFAOYSA-N 218.326 -0.547 50 20 BBGD O=C(NNC(=O)C1(O)CCCC1)C1CC1 920429240 WBYLQVOCIBOYFV-UHFFFAOYSA-N 212.249 -0.151 50 20 BBGD C[C@@H](C#N)C(=O)NNC(=O)Cc1cccnc1 1318662345 SAOSVMIWIMVZTC-QMMMGPOBSA-N 232.243 -0.069 50 20 BBGD COCCO[C@H](C)C(=O)NNC(=O)NC1CC1 1319067107 XLWFFLQKUFWDPX-SSDOTTSWSA-N 245.279 -0.469 50 20 BBGD CCn1nccc1C=NNC(=O)C(=O)OC 1335589651 KUCZQVZKLUTDIC-UHFFFAOYSA-N 224.220 -0.474 50 20 BBGD CN(NC(=O)c1c[nH]c(C(=O)O)c1)C(N)=O 1606180859 KRCAVHNOVMPNGN-UHFFFAOYSA-N 226.192 -0.632 50 20 BBGD O=C(NNC(=O)C1CC1)c1cc([N+](=O)[O-])[nH]n1 284885830 GFMAGQGRUQJFAW-UHFFFAOYSA-N 239.191 -0.511 50 20 BBGD COC(=O)[C@@H]1CC[C@@H]1C(=O)NN(C)C(N)=O 285912406 VZINQPBKPVLRIO-NTSWFWBYSA-N 229.236 -0.773 50 20 BBGD CCO/C=C(\C#N)C(=O)N[C@H]1CCN(C)C1=O 490909623 OLYRWVDZGSFYHA-FLOXNTQESA-N 237.259 -0.223 50 20 BBGD C[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)C1 584959709 DCNNJZMKTHRCPF-VIFPVBQESA-N 233.076 -0.152 50 20 BBGD OCC[C@@H](NCc1cccc(B(O)O)c1)C1CC1 585025555 XBGJRHREAFYYTD-CYBMUJFWSA-N 249.119 -0.383 50 20 BBGD CCC1(C(=O)NNC(=O)CN(C)C)COC1 755775827 KGZHYISIDSZTBY-UHFFFAOYSA-N 229.280 -0.878 50 20 BBGD CCn1nccc1NC(=O)NNC(=O)CO 757902816 HWRJGBPTJIUHSO-UHFFFAOYSA-N 227.224 -0.952 50 20 BBGD CCNC(=O)NNC(=O)[C@H]1C[C@]12CCOC2 763750931 UAIHTRDJVDULRI-XCBNKYQSSA-N 227.264 -0.237 50 20 BBGD CC(C)(O)C(=O)NNC(=O)[C@H]1CCC=CO1 768261516 MHEAEPVSZLKYHX-SSDOTTSWSA-N 228.248 -0.403 50 20 BBGD CC(C)(O)C(=O)NNC(=O)CSCC#N 787946400 SIEFUJHOZPXJFY-UHFFFAOYSA-N 231.277 -0.839 50 20 BBGD COCCN(C)NC(=O)CCN1CCCC1=O 816562723 WRKLJARYQGHAAX-UHFFFAOYSA-N 243.307 -0.392 50 20 BBGD COc1ccnc(NNC(=O)[C@H](O)C2CC2)n1 821486437 ZTARSKXBJUSJNJ-MRVPVSSYSA-N 238.247 -0.301 50 20 BBGD CC[C@](C)(O)C(=O)NNC(=O)[C@H]1CCO[C@H]1C 823475171 OIULKRVZURSAHB-LAEOZQHASA-N 244.291 -0.280 50 20 BBGD C=C(CN(C)C)C(=O)NN(CC)CCO 823879362 KMCYDBWCNKUUIL-UHFFFAOYSA-N 215.297 -0.550 50 20 BBGD COC/C(C)=C\C(=O)NN(C)[C@H](C)CO 823913252 QQZFXLVSTJSICC-BZJXQOFCSA-N 216.281 -0.077 50 20 BBGD COCCCOCCC(=O)NNC(=O)N(C)C 824627712 UKADIWCYKLCPMM-UHFFFAOYSA-N 247.295 -0.268 50 20 BBGD CCNC(=O)N(C)NC(=O)CC1(N)CCC1 831945943 YDBQWPBLJGVJDQ-UHFFFAOYSA-N 228.296 -0.050 50 20 BBGD COCCN(C)NC(=O)c1nonc1C 837622515 BBNNUPWVAMDKEG-UHFFFAOYSA-N 214.225 -0.399 50 20 BBGD C/C=C/C=C/C(=O)NNC(=O)COCCOC 869913798 MEHSOCQMSPSNRP-VNKDHWASSA-N 242.275 -0.071 50 20 BBGD COC(=O)N(C)NC(=O)N[C@H]1CCOC1 875416664 JSKWHTDTYIYOHY-LURJTMIESA-N 217.225 -0.312 50 20 BBGD C#CCCCC(=O)NNC(=O)[C@@H](C)OC 887142107 WMXMCQJUHKZLNX-MRVPVSSYSA-N 212.249 -0.028 50 20 BBGD CC(C)[C@@H]1C[C@@H](C(=O)NNC(=O)CO)CCO1 897607045 XVWNPGHMONLAMH-IUCAKERBSA-N 244.291 -0.423 50 20 BBGD Cc1nccn1CC(=O)NN(C)C[C@H](C)O 910144515 JPGCZDXSVSVEKY-QMMMGPOBSA-N 226.280 -0.465 50 20 BBGD CCOC(=O)NCC(=O)NNc1ccn(C)n1 1116853051 YYRKQLRXPXGCIY-UHFFFAOYSA-N 241.251 -0.391 50 20 BBGD C[C@H](O)CN(C)NC(=O)c1cccc[n+]1[O-] 1119643387 CIQICLSOFDZISR-QMMMGPOBSA-N 225.248 -0.723 50 20 BBGD COC(=O)C(=O)NNC(=O)NCc1ccoc1 1318882198 JGBFFRCBQPMRBK-UHFFFAOYSA-N 241.203 -0.717 50 20 BBGD CC(=NNC(=O)CCO)[C@H]1CCOC1 1318922941 GIXRPZXGTWLFFO-QMMMGPOBSA-N 200.238 -0.103 50 20 BBGD O=S(=O)(CCl)N1C[C@@H]2[C@@H](CO)[C@@H]2C1 1330136874 SSZFYHQZQVTSDT-ZMONIFLSSA-N 225.697 -0.317 50 20 BBGD O=C(NNC(=O)C1CCOCC1)c1cnco1 1333586029 CHOIDWIEJYHEIV-UHFFFAOYSA-N 239.231 -0.138 50 20 BBGD O=C1CC[C@H](C(=O)NN=Cc2cscn2)N1 1335347625 UHCAQWFSIVIDAU-SSDOTTSWSA-N 238.272 -0.128 50 20 BBGD CCOC(=O)NNC(=O)c1ncccn1 1338146488 OVJWXFGHZROVJY-UHFFFAOYSA-N 210.193 -0.133 50 20 BBGD CN(N)C(=O)C[C@H](O)CNC(=O)OC(C)(C)C 1573877078 BKDNXFZWRVSHOE-ZETCQYMHSA-N 247.295 -0.406 50 20 BBGD Cc1cc(C(=O)NNC(=O)[C@H]2CCN2)c(C)[nH]1 1579565416 LSOQTDCQKSXZCU-SECBINFHSA-N 236.275 -0.246 50 20 BBGD NCC(=O)NNC(=O)[C@@H]1CCOC2(CCC2)C1 1580211299 YDMBXERGFAKBPF-MRVPVSSYSA-N 241.291 -0.558 50 20 BBGD CC(C)C[C@@H](C)NC(=O)NNC(=O)C(=O)O 1591137687 JLCINHZDWHUENX-ZCFIWIBFSA-N 231.252 -0.164 50 20 BBGD CO[C@H](C(=O)O)C(=O)NNc1cccc(C)n1 1593911933 URFKFWNXMLKZTA-QMMMGPOBSA-N 239.231 -0.067 50 20 BBGD CN(NC(=O)CCCC(=O)O)C(N)=O 1598540924 GJKPBNIGYAUHTR-UHFFFAOYSA-N 203.198 -0.717 50 20 BBGD C[C@H](CO)N(C)S(=O)(=O)CCl 124546109 WFGFPXREJZMUFB-RXMQYKEDSA-N 201.675 -0.175 50 20 BBGD C[C@H]1C[C@@H](NCc2ccccc2B(O)O)CO1 585048437 PLKKYFHMIBUNLU-GXSJLCMTSA-N 235.092 -0.367 50 20 BBGD CC(C)CC(=O)NNC(=S)NCC(N)=O 727067825 MCRJVLRLGZLSNV-UHFFFAOYSA-N 232.309 -0.987 50 20 BBGD CCNC(=O)NNC(=O)[C@H]1CCCOC1 727731106 COTPWONDERFCGM-ZETCQYMHSA-N 215.253 -0.237 50 20 BBGD CCNC(=O)CCC(=O)NNc1ncccn1 732056840 WVKNKZOUHRGCEB-UHFFFAOYSA-N 237.263 -0.164 50 20 BBGD COCCn1ccc(NC(=O)NNC(=O)O)n1 737829207 FJHAAHWRBHEPNV-UHFFFAOYSA-N 243.223 -0.166 50 20 BBGD CNC(=O)NNC(=O)C[C@@](C)(O)C1CC1 755646881 ZVTFZXBTDHHZIN-SECBINFHSA-N 215.253 -0.502 50 20 BBGD CO[C@@H](C)CCC(=O)NNC(=O)C(C)(C)O 768243859 GWVOHDDGTRTDHD-ZETCQYMHSA-N 232.280 -0.280 50 20 BBGD CN1CC[C@@H](C(=O)NNC(=O)C2CC2)C1=O 771857484 IKRXBQFVJANRJV-ZETCQYMHSA-N 225.248 -0.978 50 20 BBGD CC[C@@H](C(=O)NNC(=O)C1CC1)[C@H](C)O 789941328 JMQNHDDEVKKATO-POYBYMJQSA-N 214.265 -0.049 50 20 BBGD C[C@](O)(C(=O)NNC(=O)NC1CC1)C1CC1 804302065 YSVMYSFCALAGEX-SNVBAGLBSA-N 227.264 -0.360 50 20 BBGD CC(C)(O)C(=O)NNC(=O)CN1CCCC1 822318216 ZAEIJSSTGYQXMY-UHFFFAOYSA-N 229.280 -1.000 50 20 BBGD CC(C)[C@H](O)C(=O)NNC(=O)[C@H]1CCO[C@@H]1C 843969992 AODGYNHIZFTIQK-VGMNWLOBSA-N 244.291 -0.424 50 20 BBGD C=C[C@](C)(O)C(=O)NN(C)C(=O)OC 854410106 TUKYQWJGGHPWJI-QMMMGPOBSA-N 202.210 -0.347 50 20 BBGD CCC(=O)N[C@H](C)C(=O)NN(C)C(=S)NC 854925268 CKTGVOGZVNXVFF-ZCFIWIBFSA-N 246.336 -0.632 50 20 BBGD CC[C@H](OC)C(=O)NNC(=O)c1cn[nH]c1 862474529 NRSNXASSJQCLTN-ZETCQYMHSA-N 226.236 -0.404 50 20 BBGD C[C@@]1(C(=O)NNC(=O)CO)C[C@H]2CC[C@H]1C2 863903552 KWXMOSKGCRBZCF-DKCNOQQISA-N 226.276 -0.048 50 20 BBGD COC(OC)C(=O)NNC(=O)C(C)(C)C 874059633 HUHQMXCJRQDQRC-UHFFFAOYSA-N 218.253 -0.201 50 20 BBGD COC(OC)C(=O)NNC(=O)C1CCC1 874456064 RFJJAQNXOSFVIM-UHFFFAOYSA-N 216.237 -0.447 50 20 BBGD CCC(=O)NNC(=O)[C@H](C)N1C[C@@H]2C[C@H]2C1 886344397 DHXJYABJJQFDLO-CIUDSAMLSA-N 225.292 -0.116 50 20 BBGD C#CCCCC(=O)NNC(=O)[C@@](C)(O)C=C 887150655 RTYMCKJFVDBXOU-NSHDSACASA-N 224.260 -0.126 50 20 BBGD O=C(CNc1ccccn1)NNC(=O)NC1CC1 900382788 JQFZEWQYOJCLGV-UHFFFAOYSA-N 249.274 -0.014 50 20 BBGD COc1cncc(C(=O)NN(C)C[C@@H](C)O)n1 910153040 POGDDEYOGZKQAV-SSDOTTSWSA-N 240.263 -0.557 50 20 BBGD COCCOCCC(=O)NN(C)C[C@@H](C)O 910166954 ABLCIBVNGFEUEJ-SECBINFHSA-N 234.296 -0.617 50 20 BBGD COCCOCCC(=O)NN(C)C[C@H](C)O 910166955 ABLCIBVNGFEUEJ-VIFPVBQESA-N 234.296 -0.617 50 20 BBGD O=C(NNC(=O)[C@H]1CCC=CO1)c1cccnn1 921314851 JQNWOBJDTLZDAI-SECBINFHSA-N 248.242 -0.070 50 20 BBGD CN(C)C(=O)NNC(=S)NC[C@H]1CCOC1 1319401044 VCXGGQLQGWRJAZ-SSDOTTSWSA-N 246.336 -0.327 50 20 BBGD CNC(=S)N(C)NC(=O)C[C@@H]1CCC(=O)N1 1328341170 SXPRNUXABTYVIC-LURJTMIESA-N 244.320 -0.878 50 20 BBGD CC[C@@H](C#N)C(=O)NNc1nnc(C)c(O)n1 1328832479 NVEWAGMPOICKQJ-LURJTMIESA-N 236.235 -0.122 50 20 BBGD NC(=O)c1c[nH]c(C(=O)NNc2cccnn2)c1 1337677703 HDDXOVFGRAUEFB-UHFFFAOYSA-N 246.230 -0.340 50 20 BBGD O=C(CCO)NNC(=O)Nc1cccnc1 1338052718 PBUVDTRIJYXWAE-UHFFFAOYSA-N 224.220 -0.383 50 20 BBGD COCCN(C)NC(=O)CO[C@H]1CCOC1 1349826467 RAIMWNJFPVANCC-VIFPVBQESA-N 232.280 -0.599 50 20 BBGD CN(NC(=O)c1cnc(Cl)n1C)C(N)=O 1352216085 HSRKHSWYQYYNEA-UHFFFAOYSA-N 231.643 -0.271 50 20 BBGD CC(C)NC(=O)C(=O)NNC(=O)[C@H]1C[C@@H]1F 1520746530 FYITZKAQBRXATH-WDSKDSINSA-N 231.227 -0.984 50 20 BBGD CC(C)(N)C(=O)NNC(=O)C1CCOCC1 1575342141 NCCUSHVUCLAZRI-UHFFFAOYSA-N 229.280 -0.702 50 20 BBGD NCC1(C(=O)NNC(=O)c2cnsn2)CC1 1580235962 JURKBKPBOAZSDY-UHFFFAOYSA-N 241.276 -0.962 50 20 BBGD CC(=NNC(=O)C(=O)O)c1csnn1 1602987849 ZTVRARUZWIASBZ-UHFFFAOYSA-N 214.206 -0.537 50 20 BBGD CC(=O)NNC(=O)Cn1c(=O)oc2ccccc21 58091714 DCJSHYNGHKUFQI-UHFFFAOYSA-N 249.226 -0.238 50 20 BBGD O=C(NNC(=O)c1nc[nH]n1)c1ccccc1 169524211 OJIJPBYTFWTDRA-UHFFFAOYSA-N 231.215 -0.121 50 20 BBGD CN(NC(=O)C(F)(F)C(F)F)C(N)=O 272173449 KCVBQMGTBOFVNZ-UHFFFAOYSA-N 217.122 -0.072 50 20 BBGD COC(=O)NNC(=O)c1ccc(O)nc1 490555876 JRJCDLKZENRRRC-UHFFFAOYSA-N 211.177 -0.212 50 20 BBGD CO[C@@H](C)CCNCc1ccccc1B(O)O 585021278 RTCWYMXOHCBXMF-JTQLQIEISA-N 237.108 -0.119 50 20 BBGD COC[C@H](C)[C@H](C)NCc1ccc(B(O)O)o1 585043550 QVGGPXKZXBWZEB-IUCAKERBSA-N 241.096 -0.280 50 20 BBGD O=C(CO)NNC(=O)CCC1CCOCC1 753452295 OOVYUXLAYHNCFZ-UHFFFAOYSA-N 230.264 -0.667 50 20 BBGD COCCN(C)NC(=O)[C@H](O)CCSC 808075351 VYACPQALEOSCSA-MRVPVSSYSA-N 236.337 -0.290 50 20 BBGD CC1CC(=NNC(=O)[C@H](C)NS(C)(=O)=O)C1 814834985 DIGYIMNWAMYLLY-MLWJPKLSSA-N 247.320 -0.174 50 20 BBGD CN1CCC(=NNC(=O)N=c2cc[nH]cc2)C1=O 815001320 DMBNFVUXZKDLAT-UHFFFAOYSA-N 247.258 -0.157 50 20 BBGD CC(C)(O)C(=O)NNC(=O)c1ccc(C#N)o1 816359566 AMKGFTMPVJUWFF-UHFFFAOYSA-N 237.215 -0.317 50 20 BBGD CCN(CCO)NC(=O)C(C)(C)CO 823873435 AYEIINJUJSXRIY-UHFFFAOYSA-N 204.270 -0.650 50 20 BBGD O=C(O)NCC(=O)NNc1ccnc(F)c1 833777612 ZEZYDVXZRLJHRQ-UHFFFAOYSA-N 228.183 -0.069 50 20 BBGD COC(=O)NNC(=O)CCc1cn[nH]c1 863854372 NIMWKGNAOUZPOZ-UHFFFAOYSA-N 212.209 -0.271 50 20 BBGD C#CCCCC(=O)NNC(=O)CC1OCCO1 887146827 MQWNKBFPTOCGBW-UHFFFAOYSA-N 240.259 -0.300 50 20 BBGD CN(C)C(=O)NN=Cc1cc(C(=O)O)nn1C 901179142 BVSREGWVQNTMPP-UHFFFAOYSA-N 239.235 -0.277 50 20 BBGD C[C@H](O)CN(C)NC(=O)[C@@H]1CCCN1C1CC1 910151085 ZJDIYPUFPVOEBW-ONGXEEELSA-N 241.335 -0.043 50 20 BBGD CC(=O)NNC(=O)[C@H](C)c1cnn(C)c1 1261253171 RULCEPYLUVLGOK-ZCFIWIBFSA-N 210.237 -0.309 50 20 BBGD CCc1nnc(C)cc1C(=O)NNC(=O)NC 1320154601 OSPANBUJOWYKKK-UHFFFAOYSA-N 237.263 -0.079 50 20 BBGD CCn1nc(C(=O)NNC(C)=O)ccc1=O 1344042018 YDUZNMNKAVDYMK-UHFFFAOYSA-N 224.220 -0.956 50 20 BBGD COCCN(C)NC(=O)CSCC(=O)O 1593995508 DQYZPYXKLSJBDM-UHFFFAOYSA-N 236.293 -0.586 50 20 BBGD CCOCC(=O)NNc1nccnc1OC 131877267 ICDMINUYQFDAKV-UHFFFAOYSA-N 226.236 -0.035 50 20 BBGD CN(C)CC(=O)NNC(=O)C1[C@H]2CCC[C@H]12 178193783 XJOYVGNHPFJYLD-YUMQZZPRSA-N 225.292 -0.259 50 20 BBGD O=C(CO)NNC(=O)Cc1cccc(F)c1 180946771 KAPRXDDESMMVNS-UHFFFAOYSA-N 226.207 -0.492 50 20 BBGD CN1C[C@H](C(=O)NNC(=O)C2CCC2)CC1=O 264644544 ABYZMOKJXCENQD-MRVPVSSYSA-N 239.275 -0.588 50 20 BBGD CCN1C[C@@H](C(=O)NNC(=O)N(C)C)CC1=O 299406786 XYKBOEMSORSYAN-ZETCQYMHSA-N 242.279 -0.843 50 20 BBGD C=CC(=O)NCCC(=O)NNC(=O)CC1CC1 490755625 FDVXOISHQJRNLZ-UHFFFAOYSA-N 239.275 -0.374 50 20 BBGD OB(O)c1ccccc1CN[C@@H]1CCC[C@H]1O 585045759 HKFBKZMEWPIBRU-VXGBXAGGSA-N 235.092 -0.631 50 20 BBGD CCOCC(=O)NNC(=O)NC[C@H](C)COC 737065648 WEDFRHYFEXCQPQ-QMMMGPOBSA-N 247.295 -0.364 50 20 BBGD CCO[C@H](C)C(=O)NNC(=O)N1CCOCC1 745986140 KXLGQLVMHDLXJY-MRVPVSSYSA-N 245.279 -0.516 50 20 BBGD Cc1cc(C(=O)NN=Cc2cnnn2C)n[nH]1 764793966 VVPYWFWWWFTDOA-UHFFFAOYSA-N 233.235 -0.389 50 20 BBGD CCC(=O)NNS(=O)(=O)c1ccc(C#N)o1 808069579 ZPPCKQFWVHYHJL-UHFFFAOYSA-N 243.244 -0.129 50 20 BBGD CCn1nncc1C(=O)NNC(=O)C1CC1 814714593 NGNWIPBNCJTMJJ-UHFFFAOYSA-N 223.236 -0.531 50 20 BBGD CCN(CCO)NC(=O)[C@@H]1CC(C)=NO1 823889079 HNQKUWCCCRTNEY-QMMMGPOBSA-N 215.253 -0.503 50 20 BBGD CC(C)C(=O)NNC(=O)NCCOCCF 852715756 WUCADENLLLHBBI-UHFFFAOYSA-N 235.259 -0.041 50 20 BBGD CCO/C=C(/C#N)C(=O)N1CCOCCN1 854691388 HWVHYGHOWLRWMC-HJWRWDBZSA-N 225.248 -0.206 50 20 BBGD CO[C@@H](C(=O)NNC(=O)c1cc[nH]n1)C(C)C 855356794 RVXOWDOAPACJKA-MRVPVSSYSA-N 240.263 -0.158 50 20 BBGD O=C1CC[C@H](C(=O)NNC(=O)C2=CCCC2)N1 862457423 JCGQAGRKWDQHKZ-MRVPVSSYSA-N 237.259 -0.477 50 20 BBGD C[C@H](O)CN(C)NC(=O)c1cn2cccnc2n1 910171189 VAHQTVQBVPYNJT-QMMMGPOBSA-N 249.274 -0.313 50 20 BBGD Cc1cc(C)n(CC(=O)NN(C)C[C@H](C)O)n1 910180662 YMNQDAGMGODXRC-JTQLQIEISA-N 240.307 -0.156 50 20 BBGD CCN(CCO)NC(=O)[C@@H]1CCCC(=O)N1C 911438550 HYWJAGGDQAUOER-VIFPVBQESA-N 243.307 -0.657 50 20 BBGD CCO/C=C(\C#N)C(=O)NCc1ncn(C)n1 1116440810 UEYPMHIQLZYOFP-SOFGYWHQSA-N 235.247 -0.125 50 20 BBGD CN(NC(=O)Cc1ccncc1)C(N)=O 1319929625 YAUZWCQZGKAMLV-UHFFFAOYSA-N 208.221 -0.334 50 20 BBGD CCNC(=S)NNC(=O)Nc1noc(C)n1 1320210845 UUTFGBZEXDKUBP-UHFFFAOYSA-N 244.280 -0.101 50 20 BBGD O=C(NNC(=O)C1CCC1)c1ccc[n+]([O-])c1 1321718993 RZLWIAJXAOFHTF-UHFFFAOYSA-N 235.243 -0.119 50 20 BBGD Cc1nnc(NNC(=O)[C@H]2CCOC2)nc1O 1322052898 UAPCHMUKYVEVKT-LURJTMIESA-N 239.235 -0.635 50 20 BBGD COC(=O)N(C)NC(=O)CO[C@H]1CCOC1 1323788200 YBHHFANEVQLXHT-ZETCQYMHSA-N 232.236 -0.479 50 20 BBGD Cc1n[nH]cc1C(=O)NNC(=O)N(C)C 1324683877 KZQKIJSKYZNIGX-UHFFFAOYSA-N 211.225 -0.366 50 20 BBGD O=C([C@H]1CCCOC1)N1CC[C@H](B(O)O)C1 1329215209 NECDHCLZKLLZNG-IUCAKERBSA-N 227.069 -0.512 50 20 BBGD C[C@H](C(=O)O)C(=O)NNC(=O)C1CC1 1609700712 AZUYKYXLXRZJIQ-BYPYZUCNSA-N 200.194 -0.736 50 20 BBGD CON=CC(=O)NNc1nncc(N)c1Cl 309280346 NDZHMPLQKKYAGC-UHFFFAOYSA-N 244.642 -0.213 50 20 BBGD C[C@@H](CCCO)NCc1ccc(B(O)O)o1 585028468 KXSKLJBPCBSKFC-QMMMGPOBSA-N 227.069 -0.790 50 20 BBGD Cc1cccc(COCC(=O)NCB(O)O)c1 585062610 LFDUWPYMLZDDTF-UHFFFAOYSA-N 237.064 -0.360 50 20 BBGD C=CCOCC(=O)NNC(=O)c1c[nH]nc1C 732084683 WXVYXUGARLPNKF-UHFFFAOYSA-N 238.247 -0.318 50 20 BBGD COc1nccnc1NNC(=O)c1cn[nH]c1 764469494 CQVVXMCRSBHKJL-UHFFFAOYSA-N 234.219 -0.035 50 20 BBGD CN(NC(=O)[C@@H]1CCCN1C1CC1)C(N)=O 787486063 RVKRYQLPVZMQAV-QMMMGPOBSA-N 226.280 -0.345 50 20 BBGD Cc1ccc(C(=O)NNC(=O)CO)cc1C#N 799844257 NQLRQBXUPXSHAR-UHFFFAOYSA-N 233.227 -0.380 50 20 BBGD CCNC(=O)N(C)NC(=O)[C@@H](N)C(C)C 831945408 PSFYFXIJMKUTOA-ZETCQYMHSA-N 216.285 -0.338 50 20 BBGD CO[C@H](C)C(C)=NNC(=O)NCC(=O)O 833718274 JSKICLLRPDYGNN-ZCFIWIBFSA-N 217.225 -0.219 50 20 BBGD CNC(=S)N(C)NC(=O)[C@@H]1[C@H]2CCCO[C@H]21 854923046 YBRILQIUQHZIER-BWZBUEFSSA-N 243.332 -0.121 50 20 BBGD CNC(=S)N(C)NC(=O)CCn1ccnc1 854924502 XASPISIWRUUPMO-UHFFFAOYSA-N 241.320 -0.260 50 20 BBGD CCO[C@H](C)C(=O)NNC(=O)c1cc[nH]n1 855359604 YDEFGEGYEZPEOJ-ZCFIWIBFSA-N 226.236 -0.404 50 20 BBGD C#CCO[C@@H](C)C(=O)NNC(=O)c1cccnn1 882058136 CWOAEWNDVDTOPU-QMMMGPOBSA-N 248.242 -0.724 50 20 BBGD Cc1ccc(C(=O)NN)cc1NS(C)(=O)=O 908581011 WEBDFTQSVWPNAL-UHFFFAOYSA-N 243.288 -0.030 50 20 BBGD CC(=O)N1CC(C(=O)NNc2ccn(C)n2)C1 1116851901 CUSBWIDNCIJGKF-UHFFFAOYSA-N 237.263 -0.659 50 20 BBGD CC(=O)NNC(=O)c1cnn2c1NCCC2 1123572855 GJFQXESAVMXAHS-UHFFFAOYSA-N 223.236 -0.520 50 20 BBGD Cn1nncc1NNC(=O)[C@H]1CCCOC1 1261246001 XOCGBWSJGJVQLA-ZETCQYMHSA-N 225.252 -0.315 50 20 BBGD CC(C)n1cc(C=NNC(=O)CCO)nn1 1323392013 RHMJAPFIMPBHNI-UHFFFAOYSA-N 225.252 -0.309 50 20 BBGD CCc1cc(C(=O)NN(CC)CCO)nn1C 1352231963 WXJQNEXVQNZPOO-UHFFFAOYSA-N 240.307 -0.059 50 20 BBGD COC(=O)NNC(=O)Cn1ccc(C)cc1=O 194904892 RPYYTDGKFGSZCO-UHFFFAOYSA-N 239.231 -0.456 50 20 BBGD C[C@@H](CC#N)C(=O)Nc1cccc(B(O)O)c1 584910599 CIEVZPHJWYCJQW-QMMMGPOBSA-N 232.048 -0.145 50 20 BBGD CO[C@H](C)CNCc1ccccc1B(O)O 585036559 IQHSSUHLSWHYOU-SECBINFHSA-N 223.081 -0.509 50 20 BBGD O=C([C@@H]1CCCCO1)N1CC[C@@H](B(O)O)C1 585064360 FLEYOCFSUCIHCV-BDAKNGLRSA-N 227.069 -0.369 50 20 BBGD CCCNC(=O)NNC(=O)CN(C)C 727373945 RXJRLTMZSJNYJS-UHFFFAOYSA-N 202.258 -0.712 50 20 BBGD CC(C)NC(=O)NNC(=O)[C@@H]1CCCN1C 733870521 SAUMHKPYQKWOGT-QMMMGPOBSA-N 228.296 -0.181 50 20 BBGD Cc1cc(OCC(=O)NNC(=O)N(C)C)no1 746004017 YJROAYRTTHZGKG-UHFFFAOYSA-N 242.235 -0.336 50 20 BBGD CCNC(=O)NNC(=S)NCCOCC 751004395 RYEZBQHVKMJYTJ-UHFFFAOYSA-N 234.325 -0.279 50 20 BBGD CCNC(=O)NNC(=O)[C@@H]1C[C@@]12CCOC2 763750930 UAIHTRDJVDULRI-OIBJUYFYSA-N 227.264 -0.237 50 20 BBGD O=C(Cn1cccnc1=O)NN=c1cc[nH]cc1 781020868 IBQLVXMJGIQSAZ-UHFFFAOYSA-N 245.242 -0.797 50 20 BBGD CCC[C@H](O)C(=O)NNC(=O)[C@H]1CCCCO1 820936226 IHRPJLFQLZDSRX-DTWKUNHWSA-N 244.291 -0.136 50 20 BBGD CCN(CCO)NC(=O)c1ccc(OC)nn1 823859932 DYQLNLIHKKQTBS-UHFFFAOYSA-N 240.263 -0.556 50 20 BBGD C[C@@H](CO)N(C)NC(=O)C1=COCCO1 823993000 IFRVRRLDBWRRFY-ZETCQYMHSA-N 216.237 -0.782 50 20 BBGD NNC(=O)c1ccc(N2CCCC2)nn1 825645366 YQDLIWURLAWLNT-UHFFFAOYSA-N 207.237 -0.320 50 20 BBGD C[C@H]1CC(=NNC(=O)C(=O)NC2CC2)[C@@H](C)O1 834932682 IGTJZRNNQCYLEP-NKWVEPMBSA-N 239.275 -0.066 50 20 BBGD C[C@H]1C[C@@H]1C(=O)NNC(=O)c1cc[nH]n1 855356283 KAPNEOMSOQAMIM-WDSKDSINSA-N 208.221 -0.173 50 20 BBGD CS(=O)(=O)CC(=O)NN=C[C@H]1CCCOC1 863186308 WBUAXGPZXACVTD-MRVPVSSYSA-N 248.304 -0.440 50 20 BBGD CC(=O)N(C)CC(=O)NNC(=O)C(C)C 914881698 SGUMKVKDKFSXNM-UHFFFAOYSA-N 215.253 -0.732 50 20 BBGD CNC(=S)N(C)NC(=O)c1nccnc1N 1118712976 IVHCCYWUMMKPQU-UHFFFAOYSA-N 240.292 -0.860 50 20 BBGD C[C@@H](C#N)C(=O)NNC(=O)Cc1ccncc1 1318952903 GOBZJFOTTIVVFX-QMMMGPOBSA-N 232.243 -0.069 50 20 BBGD CCNC(=O)N(C)NC(=O)CCc1nc[nH]n1 1319950593 WAURAWFCQREDEJ-UHFFFAOYSA-N 240.267 -0.570 50 20 BBGD CC(C)(C)C(=O)NNC(=O)C(C)(C)N 1574067990 NEYRXAYZCOFFMZ-UHFFFAOYSA-N 201.270 -0.083 50 20 BBGD C[C@H]1CCCN(c2cccc(B(O)O)n2)C1 169968696 MEZNHYIXQUGBBF-VIFPVBQESA-N 220.081 -0.002 50 20 BBGD CC(=O)NNC(=O)[C@H](C)NC(=O)C1CCCC1 299211483 FYEBUSUNSJBCJB-ZETCQYMHSA-N 241.291 -0.151 50 20 BBGD C[C@@H]1CC(=NNC(=O)CO)CC[C@@H]1C(=O)O 382039787 XDPZKADPPZQKCY-SVRRBLITSA-N 228.248 -0.028 50 20 BBGD COC(=O)NNC(=O)[C@@H]1CO[C@H](C)C1 492389692 DFMSMDDDACQMSD-RITPCOANSA-N 202.210 -0.201 50 20 BBGD Cc1ncc(CNCc2ccccc2B(O)O)o1 585046088 MJWHQPFUFFAYAE-UHFFFAOYSA-N 246.075 -0.047 50 20 BBGD C[C@H](NCc1ccc(B(O)O)o1)C1(CO)CC1 585047480 PSNDJBDIEBFXRY-QMMMGPOBSA-N 239.080 -0.790 50 20 BBGD CC(=O)NN[C@H](Cc1ccccc1)C(N)=O 758139463 WBQYVNQOPFREOV-SNVBAGLBSA-N 221.260 -0.276 50 20 BBGD C[C@H]1C[C@@H](C)O[C@H]1C(=O)NN(C)C(N)=O 800527397 RJWBPKLYYBFNOF-RRKCRQDMSA-N 215.253 -0.158 50 20 BBGD CC(=O)NN[C@H](C(N)=O)c1ccccc1 844256201 GZESQUVFZFVGJR-VIFPVBQESA-N 207.233 -0.146 50 20 BBGD COCCN(C)NC(=O)[C@H]1CC[C@H]1C(N)=O 848057540 WRGYGHJSXZHBHC-SFYZADRCSA-N 229.280 -0.893 50 20 BBGD O=S(=O)(CCl)NC[C@@H]1COCO1 867396167 CLHACSIZKGJRRJ-RXMQYKEDSA-N 215.658 -0.525 50 20 BBGD CNC(=O)NNC(=O)CCc1ccn(C)n1 1261234027 QOWKZVXBKFWDJS-UHFFFAOYSA-N 225.252 -0.687 50 20 BBGD O=C(Cn1cncn1)NNC(=O)c1ccncc1 1317953937 DOOMRDYCOHEQKY-UHFFFAOYSA-N 246.230 -0.866 50 20 BBGD Cn1cc(C(=O)NNC(=O)CO)c(C(F)F)n1 1320075735 BDZDEMNFKSIPCI-UHFFFAOYSA-N 248.189 -0.889 50 20 BBGD C[C@@H](CN1CCN(C)CC1)NC(=O)CCl 1324706809 QJDUGSYCLCAWOA-VIFPVBQESA-N 233.743 -0.023 50 20 BBGD O=C1CC[C@H](C(=O)NN=C2CCC(O)CC2)N1 1329191218 LXZNIZANZTYCHN-YGPZHTELSA-N 239.275 -0.328 50 20 BBGD Cc1cc(C)n2nc(NC(=O)NN)nc2n1 1331460734 OVKWUOCJYQCKTI-UHFFFAOYSA-N 221.224 -0.264 50 20 BBGD CN(NC(=O)C(=O)NCC(F)F)C1CC1 1331969437 ISGQGJXVQIOBSU-UHFFFAOYSA-N 221.207 -0.507 50 20 BBGD C[C@](O)(CC(=O)NNC(=O)[C@H]1CCN1)C1CC1 1576257907 GMYNOMPFEHRRQH-KCJUWKMLSA-N 241.291 -0.953 50 20 BBGD CN(NC(=O)c1cnc(CN)s1)C(N)=O 1578506048 FCZDBQVNKMHFJZ-UHFFFAOYSA-N 229.265 -0.743 50 20 BBGD COCCCC(C)=NNC(=O)C(=O)O 1606864550 WQRNMPFZNZHGLS-UHFFFAOYSA-N 202.210 -0.010 50 20 BBGD COCCC(C)(C)C(=O)NNC(=O)CO 185436626 AVMGAYULKWEDTE-UHFFFAOYSA-N 218.253 -0.811 50 20 BBGD COC(=O)NNC(=O)[C@@H](C)NC(=O)C(C)(C)C 298137064 NHFFAZKLAVLIFY-ZCFIWIBFSA-N 245.279 -0.076 50 20 BBGD NC(=O)C(=O)NN=C[C@H]1CCSC1 379373369 LFGZNCCUDIKGHB-RXMQYKEDSA-N 201.251 -0.673 50 20 BBGD COC(=O)N(C)NC(=O)[C@@H](NC(C)=O)C(C)C 497052479 HPPIQNXSUAFPLR-QMMMGPOBSA-N 245.279 -0.124 50 20 BBGD OB(O)c1ccc(CNC2CCC(O)CC2)cc1 585014156 JIPJTSFVUBJROD-UHFFFAOYSA-N 249.119 -0.241 50 20 BBGD C[C@H]1CN(C)C[C@H]1NCc1ccccc1B(O)O 585031487 VXXHWSWXVQWCEB-GXFFZTMASA-N 248.135 -0.594 50 20 BBGD CC(CCO)=NNC(=O)c1cnn(C)c1 749859749 SZWBPUIDSUHPMD-UHFFFAOYSA-N 210.237 -0.092 50 20 BBGD C[C@H]1CC[C@@H](C(=O)NNC(=O)CO)C1 753443817 CEEKCCAPTAPBKK-NKWVEPMBSA-N 200.238 -0.438 50 20 BBGD CC(C)(O)C(=O)NNC(=O)C[C@](C)(O)C1CC1 768256653 VPHYMWJVIMEFFC-NSHDSACASA-N 244.291 -0.544 50 20 BBGD COC(=O)CNC(=O)NNC1=N[C@H]2C=C[C@H]1C2 779821299 SCWHPRYFLGDJRQ-BQBZGAKWSA-N 238.247 -0.680 50 20 BBGD CC[C@H](C)[C@H](OC)C(=O)NNC(=O)CN(C)C 795071143 QJEOAQSAVGTWSV-WPRPVWTQSA-N 245.323 -0.244 50 20 BBGD Cn1cc(CC(=O)NNC(=O)CC2CC2)cn1 819109303 BPDNUXKNWRVIBR-UHFFFAOYSA-N 236.275 -0.090 50 20 BBGD C[C@@H](CO)N(C)NC(=O)c1cnn2ncccc12 823934930 KZNLLEKUVXVMED-QMMMGPOBSA-N 249.274 -0.313 50 20 BBGD CNC(=S)N(C)NC(=O)c1ccn(C)n1 854925823 NDUIEMXRNFOKOY-UHFFFAOYSA-N 227.293 -0.499 50 20 BBGD CCCN(C)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 858698098 VCKZALUEUDBUKM-ZETCQYMHSA-N 242.279 -0.652 50 20 BBGD CC(C)=C(C)C(=O)NNC(=O)CS(C)(=O)=O 863462138 IFSAKYNEFAIHAE-UHFFFAOYSA-N 248.304 -0.465 50 20 BBGD COCc1nocc1C(=O)NN(C)[C@@H](C)CO 1119104160 IKBFDHFPZNIENP-ZETCQYMHSA-N 243.263 -0.222 50 20 BBGD Cc1nnc(NNC(=O)CC(C)(C)O)nc1O 1321492718 PQSATLRSJSWDME-UHFFFAOYSA-N 241.251 -0.510 50 20 BBGD C=CCNC(=S)NNC(=O)c1ccnnc1 1326979130 SEJHRJHRSZNXDG-UHFFFAOYSA-N 237.288 -0.229 50 20 BBGD O=C(CCc1cn[nH]c1)NNC(=O)C1CC1 1348468794 TUIDEBMFFITNLS-UHFFFAOYSA-N 222.248 -0.100 50 20 BBGD CO[C@@](C)(C(=O)O)C(=O)NNC(=O)C1CCC1 1593926530 JVQRKERNZAWKCZ-SNVBAGLBSA-N 244.247 -0.576 50 20 BBGD Cn1cc(/C=C(/C#N)C(=O)O)c(=O)n(C)c1=O 1600946664 NYSHPRBTSRXGGX-UTCJRWHESA-N 235.199 -0.924 50 20 BBGD CCO/C=C(/C#N)C(=O)NCC[C@H](O)C(=O)O 1605617989 DVXBMKRYWOQYMC-UAPHAKCISA-N 242.231 -0.618 50 20 BBGD CN(C)CC(=O)NNC(=O)COCC1CC1 113427946 KQXPAAVVCCQTDZ-UHFFFAOYSA-N 229.280 -0.878 50 20 BBGD COC(=O)N(C)NC(=O)N1CCOCC1 496354238 AXPNKHPXWQQTFV-UHFFFAOYSA-N 217.225 -0.359 50 20 BBGD C[C@@H](C[C@@H](C)O)NCc1ccccc1B(O)O 585034096 GMNKOWZINXZZFZ-VHSXEESVSA-N 237.108 -0.385 50 20 BBGD Cc1ccc(F)c(S(=O)(=O)NCB(O)O)c1 585054513 MLFPHEJQHCXXHV-UHFFFAOYSA-N 247.056 -0.576 50 20 BBGD COc1cccc(/C=C/C(=O)NCB(O)O)c1 585057776 ZTEUNMGCDSOYAP-AATRIKPKSA-N 235.048 -0.163 50 20 BBGD C[C@@H]1Cc2cc(C(=O)NCB(O)O)ccc2O1 585062532 KFQKOXBNHQQVHP-SSDOTTSWSA-N 235.048 -0.248 50 20 BBGD CCOC(=O)NNC(=O)CSCC(=O)O 739474043 IPGVGFKTCACOEU-UHFFFAOYSA-N 236.249 -0.419 50 20 BBGD CC(C)C(=O)NNC(=O)[C@@H]1CCCN1C 748554917 KDOYUXXYCYTFRC-QMMMGPOBSA-N 213.281 -0.116 50 20 BBGD Cn1ccc2c(C(=O)NNC(=O)CO)cccc21 753443803 BKYYYDOXFNQFGW-UHFFFAOYSA-N 247.254 -0.068 50 20 BBGD CCNC(=O)NNC(=O)[C@H]1CCO[C@@H]1C 770712232 XXXHXFSRRUEBMM-RQJHMYQMSA-N 215.253 -0.238 50 20 BBGD Cc1[nH]c(C=O)cc1C(=O)NN(C)C(N)=O 774092744 PMZWCSMNJOJAIQ-UHFFFAOYSA-N 224.220 -0.209 50 20 BBGD CN(NC(=O)[C@@H]1CCC[C@@H](C(N)=O)C1)C(N)=O 787199920 UEDQMJDXOVJZQS-RNFRBKRXSA-N 242.279 -0.680 50 20 BBGD CCC(=O)NNC(=O)Nc1cnnn1C 809908007 VWSOVTJIFBEMGV-UHFFFAOYSA-N 212.213 -0.622 50 20 BBGD C[C@H](CC(=O)NN(C)C(N)=O)n1cccn1 819449616 NTWREZVXGCFPKE-SSDOTTSWSA-N 225.252 -0.124 50 20 BBGD C[C@H](CO)N(C)NC(=O)c1cc2n(n1)CCO2 823923200 PVTCLYNZXOZGCY-SSDOTTSWSA-N 240.263 -0.767 50 20 BBGD C[C@@]1(CNC(=O)C(N)=O)C[C@H]1Br 824805533 UGKHARDRPRKMDD-FBCQKBJTSA-N 235.081 -0.239 50 20 BBGD C#CCCCC(=O)NNC(=O)c1cc[nH]n1 855355795 ASIAPPHPOSBBAQ-UHFFFAOYSA-N 220.232 -0.026 50 20 BBGD COC/C=C\C(=O)NNC(=O)c1cnn(C)c1 865935941 AQURMFLPFQQRSY-ARJAWSKDSA-N 238.247 -0.616 50 20 BBGD O=C(CN1CCOC1=O)NNC(=O)C1CCC1 874455611 MJFZGEQHAJTJAK-UHFFFAOYSA-N 241.247 -0.614 50 20 BBGD COC(=O)N(C)NC(=O)NCc1cc[nH]n1 875111214 UQAZWCNJWJHCSW-UHFFFAOYSA-N 227.224 -0.178 50 20 BBGD CC(C)(CO)CNCc1ccc(B(O)O)cc1 877116911 ACGMZEINOPVEBL-UHFFFAOYSA-N 237.108 -0.526 50 20 BBGD CN1CCC[C@@H]1C(=O)NNC(=O)c1ccnnc1 898000443 UHGVVKQHNNPQNI-SECBINFHSA-N 249.274 -0.668 50 20 BBGD CC(C)C[C@@H](C(N)=O)C(=O)NN(C)C[C@@H](C)O 910147863 VTQLBLZNKBHACY-BDAKNGLRSA-N 245.323 -0.522 50 20 BBGD CCN1CCO[C@H](C(=O)NN(C)C[C@H](C)O)C1 910163942 UIWUFNBSEYNGHT-UWVGGRQHSA-N 245.323 -0.949 50 20 BBGD CCn1cc(C(=O)NN(C)C[C@@H](C)O)cn1 910167104 HUXRKGMZMCRBLD-MRVPVSSYSA-N 226.280 -0.140 50 20 BBGD CC[C@@H](NC(C)=O)C(=O)NN(C)C[C@H](C)O 910181459 DPFQWJNORXRHJA-IONNQARKSA-N 231.296 -0.755 50 20 BBGD Cn1cc(/C=C/C(=O)N2CC[C@H](B(O)O)C2)cn1 1118916746 UHRWSSWJLQXNMP-PBKGFPTLSA-N 249.079 -0.491 50 20 BBGD CNC(=O)NNC(=O)c1ccc2nncn2c1 1325537679 DIWYSUPJUOKUCZ-UHFFFAOYSA-N 234.219 -0.697 50 20 BBGD CC[C@H](OC)C(=O)NNc1cnnn1C 1330425406 UIIMGTQWBDPHLS-LURJTMIESA-N 213.241 -0.317 50 20 BBGD CC[C@@](C)(N)C(=O)NNC(=O)c1ccnnc1 1574073760 KXHROAZAAJFROA-SNVBAGLBSA-N 237.263 -0.635 50 20 BBGD COCCN(CC(=O)O)C(=O)CCl 1610257651 KDLQDNVOVVCCIL-UHFFFAOYSA-N 209.629 -0.215 50 20 BBGD CC[C@](C)(OC)C(=O)NNC(=O)NC 280931535 YGOZQRCXQDMKJN-QMMMGPOBSA-N 203.242 -0.238 50 20 BBGD C=CCOCCNCc1ccc(B(O)O)o1 585050123 RVNXQECKZFSKIS-UHFFFAOYSA-N 225.053 -0.748 50 20 BBGD O=C(O)NCCC(=O)NNC(=O)NC1CC1 739937913 ICHKIJKIVPXAND-UHFFFAOYSA-N 230.224 -0.863 50 20 BBGD Cc1cnccc1C(=O)NNC(=O)CO 771738819 OANLNMDBHIKXIT-UHFFFAOYSA-N 209.205 -0.857 50 20 BBGD COc1cccc(C=NNC(=O)CO)n1 790169974 DULJMPCCNGQVPD-UHFFFAOYSA-N 209.205 -0.467 50 20 BBGD CC[C@@H](C#N)C(=O)NNC(=O)NCCCOC 845298454 LCXHQKUOZRLBRM-QMMMGPOBSA-N 242.279 -0.097 50 20 BBGD Cc1nc(O)[nH]c1C(=O)NNC(=O)C1CCC1 847482591 XNUWLTKYKQTXAG-UHFFFAOYSA-N 238.247 -0.015 50 20 BBGD COC(=O)C(=O)NNC(=O)N[C@@H]1CCC[C@H]1C 1116181959 NETAGDJYGMXEPJ-RNFRBKRXSA-N 243.263 -0.322 50 20 BBGD Cn1ncc(C=NNC(=O)C2CCOCC2)n1 1119303337 SCWFOKHSPDMJRT-UHFFFAOYSA-N 237.263 -0.308 50 20 BBGD NC(=O)c1c[nH]c(C(=O)NNc2ncccn2)c1 1252590607 XEUANRCDVMQITH-UHFFFAOYSA-N 246.230 -0.340 50 20 BBGD CC(=O)NNC(=O)C(=O)Nc1cccc(C#N)c1 1320232501 KHYXOQHJYGGDBQ-UHFFFAOYSA-N 246.226 -0.336 50 20 BBGD C=CCn1cc(C(=O)NNC(=O)NC)nn1 1326332359 DEDDCVMPQSYWPW-UHFFFAOYSA-N 224.224 -0.962 50 20 BBGD C[C@@H](C(=O)NN(C)C(N)=O)n1ccnc1 1337364806 HDWOQNDWPVKARL-LURJTMIESA-N 211.225 -0.514 50 20 BBGD O=C(NNc1nc[nH]n1)[C@H]1CCc2c[nH]nc2C1 1343972699 KQZDFHDAZJTOBZ-LURJTMIESA-N 247.262 -0.224 50 20 BBGD CNCCC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 1574078912 KMENODPLIGZYJN-HTQZYQBOSA-N 229.280 -0.832 50 20 BBGD Cc1nnc(NNC(=O)[C@H](N)CC2CC2)n1C 1579912629 IAWFEFWCLFLSHQ-MRVPVSSYSA-N 238.295 -0.306 50 20 BBGD CCN(CCO)NC(=O)[C@H]1C[C@@H](C(=O)O)C1 1605449458 FYIWWHYJNQYBFB-OCAPTIKFSA-N 230.264 -0.557 50 20 BBGD CCn1cc(C(C)=NNC(=O)C(=O)O)cn1 1610083485 YCMFGNNSIIEXRG-UHFFFAOYSA-N 224.220 -0.172 50 20 BBGD C=CCNC(=S)NNC(=O)COCC 298281643 SIBNBIUTSILNEJ-UHFFFAOYSA-N 217.294 -0.296 50 20 BBGD C[C@@H]1C[C@H](C(=O)Nc2cccc(B(O)O)c2)CO1 405067777 XBRVDDMBKCPWGU-BDAKNGLRSA-N 249.075 -0.270 50 20 BBGD COC(=O)N(C)NC(=O)[C@@]1(F)CCOC1 496382597 DROADUKWRWHEMZ-MRVPVSSYSA-N 220.200 -0.156 50 20 BBGD O=C(c1cccc(B(O)O)c1)N1C[C@H]2CC[C@H]2C1 585008964 ZHPVZQNBUUDBHY-PHIMTYICSA-N 245.087 -0.152 50 20 BBGD CC(C)[C@@H](O)CNCc1ccccc1B(O)O 585025129 MMMDSNWYMGIOMW-LBPRGKRZSA-N 237.108 -0.527 50 20 BBGD CC(C)[C@H](C(=O)N1CC[C@H](B(O)O)C1)N(C)C 585070327 VOZIZVFDHDSEIL-VHSXEESVSA-N 242.128 -0.352 50 20 BBGD CCC(=O)NNC(=O)[C@H](C)N(CC)CCOC 732198465 SBYFUUUACSFBML-VIFPVBQESA-N 245.323 -0.099 50 20 BBGD CC(C)(O)CC(=O)NNC(=O)NCC1CC1 792086458 VPJVWUGRXPGOJG-UHFFFAOYSA-N 229.280 -0.112 50 20 BBGD O=C(NNc1ncc(F)cn1)[C@H]1C[C@@H](O)C1 821378340 MCUGVZKDAXSJHV-IAQIWYKVSA-N 226.211 -0.170 50 20 BBGD COCCN(C)NC(=O)c1[nH]cnc1C 822843145 IHRHQJIWGCHQKD-UHFFFAOYSA-N 212.253 -0.059 50 20 BBGD C[C@H](CO)N(C)NC(=O)Cn1cccn1 823983455 UTOSYIXVPKUSDG-MRVPVSSYSA-N 212.253 -0.773 50 20 BBGD CCNC(=O)N(C)NC(=O)[C@H](N)C1CCC1 831944862 KAUOLPUDMMIVGR-MRVPVSSYSA-N 228.296 -0.194 50 20 BBGD O=C(Cc1cncc(O)c1)NNC(=O)C1CC1 848367823 MXJWKJNSZXUEOX-UHFFFAOYSA-N 235.243 -0.113 50 20 BBGD COC[C@](C)(O)C(=O)NNc1ccncn1 857520764 MVRHMONQQUMCQB-VIFPVBQESA-N 226.236 -0.683 50 20 BBGD CON=CC(=O)NNC(=S)NC(C)(C)C 899997041 DHROMKHKZWPYJW-UHFFFAOYSA-N 232.309 -0.088 50 20 BBGD CCCNC(=O)NNC(=O)[C@@H](C)NC(C)=O 921042580 BEVBFIQZLATSOQ-ZCFIWIBFSA-N 230.268 -0.749 50 20 BBGD COC(=O)C(=O)NNC(=S)NC(C)(C)C 1116198032 NEQNHQVLFQUHDJ-UHFFFAOYSA-N 233.293 -0.547 50 20 BBGD CC(=NNC(=O)C(N)=O)c1cn(C)c(C)n1 1116924519 UYEDFENJKYPMRM-UHFFFAOYSA-N 223.236 -0.946 50 20 BBGD O=Cc1ccc(C(=O)N2CC[C@H](B(O)O)C2)[nH]1 1119057152 AMEVRJKBDGSBTG-ZETCQYMHSA-N 236.036 -0.484 50 20 BBGD C[C@H](CO)N(C)NC(=O)C1(C#N)CCOCC1 1261911237 XOLYBKSDIMLLMD-SECBINFHSA-N 241.291 -0.349 50 20 BBGD COC(=O)C(=O)NNC(=O)NC[C@@H]1C=CCC1 1262032954 KECVKLYBHYJJBD-SSDOTTSWSA-N 241.247 -0.544 50 20 BBGD CC[C@H](C)[C@H](C)NC(=O)NNC(=O)C(=O)OC 1318940953 DMLTXWNCNTVDKI-BQBZGAKWSA-N 245.279 -0.076 50 20 BBGD COC(=O)N(C)NC(=O)c1cn(C)nn1 1325838851 OXPMBYZRXVEYAG-UHFFFAOYSA-N 213.197 -0.842 50 20 BBGD CC(=O)NNC(=O)CN(C)C(=O)C1CC1 1347768928 DTOMYXHJLJDRPH-UHFFFAOYSA-N 213.237 -0.978 50 20 BBGD O=C(NNC(=O)[C@H]1CCNC1=O)C1CCC1 1350685010 PMWAYCHGJNZALE-ZETCQYMHSA-N 225.248 -0.930 50 20 BBGD C[C@@H](C(=O)O)C(=O)NNC(=O)c1ccncc1 1602803831 AKUAEDZWFATOAQ-ZCFIWIBFSA-N 237.215 -0.437 50 20 BBGD CC(CCCCO)=NNC(=O)NCC(=O)O 1609738588 LCVVKKSGVZHUIU-UHFFFAOYSA-N 231.252 -0.091 50 20 BBGD NNC(=O)CCn1nc(O)c2ccccc2c1=O 70160040 NYOSVGRNBBQKQK-UHFFFAOYSA-N 248.242 -0.518 50 20 BBGD O=C1CC(C(=O)NNC(=O)c2ccncc2)C1 123056546 WCNMKBWKBBUHQH-UHFFFAOYSA-N 233.227 -0.178 50 20 BBGD CN(NC(=O)Cc1ccccc1O)C(N)=O 179695747 SHYODBWWXMLROJ-UHFFFAOYSA-N 223.232 -0.024 50 20 BBGD CC(C)C[C@@H](C)OCCC(=O)NNC(=O)CO 180966700 PZLXLNGKIJHSGD-SECBINFHSA-N 246.307 -0.033 50 20 BBGD Cc1cn(-c2csc(B(O)O)c2)cn1 238552038 LDAHLCLHWCWTBP-UHFFFAOYSA-N 208.051 -0.078 50 20 BBGD CO[C@H](C)[C@H](C)NCc1ccccc1B(O)O 585036346 FHUJDYOMDNRKJP-VHSXEESVSA-N 237.108 -0.121 50 20 BBGD O=C(NCB(O)O)c1ccc(Cl)nc1 585057688 XLWREZAKDCTTPQ-UHFFFAOYSA-N 214.417 -0.523 50 20 BBGD C[C@H](CC(=O)NCB(O)O)c1ccco1 585063270 VUVAWJJRMDTEPQ-SSDOTTSWSA-N 211.026 -0.099 50 20 BBGD OB(O)[C@@H]1CCN(C[C@@H]2CCCOC2)C1 585077574 VVXKBMLJDFJIBI-VHSXEESVSA-N 213.086 -0.038 50 20 BBGD COCCn1cc(C=NNC(C)=O)cn1 743420979 VBOISBPNQYNSIG-UHFFFAOYSA-N 210.237 -0.001 50 20 BBGD O=C(CO)NNC(=O)CCCC(F)(F)F 753442615 KJELDJJCMYOUPF-UHFFFAOYSA-N 228.170 -0.141 50 20 BBGD Cn1cc(C=NNC(=O)c2ccc[nH]2)nn1 755607976 FRYSLRGZWRTWNC-UHFFFAOYSA-N 218.220 -0.093 50 20 BBGD CNC(=O)CCCC(=O)NNC(=O)NC(C)C 780506990 ZFUKXQFKDKXBGI-UHFFFAOYSA-N 244.295 -0.359 50 20 BBGD CC(=NNC(=O)C(N)=O)c1ccccc1C#N 814696919 RAMMOPMJVMCGKF-UHFFFAOYSA-N 230.227 -0.116 50 20 BBGD Cn1ncc(C=NNC(=O)Cc2cc[nH]n2)n1 814957680 MQXKYYMIPKXJQF-UHFFFAOYSA-N 233.235 -0.769 50 20 BBGD CCCCNC(=O)NNC(=O)c1cc(O)n[nH]1 823756259 ZFVHEJAHHDNYDX-UHFFFAOYSA-N 241.251 -0.141 50 20 BBGD C=C[C@](C)(O)C(=O)NNC(=O)NCC1CC1 823804587 REJDCFMEZHJHBZ-JTQLQIEISA-N 227.264 -0.336 50 20 BBGD C=C[C@@H]1OCC[C@H]1C(=O)NN(C)[C@H](C)CO 823916988 CEWMSPRZLMBTCC-BBBLOLIVSA-N 228.292 -0.079 50 20 BBGD CC(C)NC(=O)NNC(=O)[C@H]1CCCN1C=O 824404264 NKFMYVZIWXFBEV-MRVPVSSYSA-N 242.279 -0.654 50 20 BBGD CCC[C@](C)(O)C(=O)NNC(=O)c1cc[nH]n1 855357425 JAJVTFSWINWYAU-JTQLQIEISA-N 240.263 -0.278 50 20 BBGD COC/C=C\C(=O)NNC(=O)Cc1cccnc1 865166876 FMYLVSAXIGXDBJ-HYXAFXHYSA-N 249.270 -0.026 50 20 BBGD COCCN(C)NC(=O)Nc1cnnn1C 879478644 WSKVRXNIUMFESD-UHFFFAOYSA-N 228.256 -0.570 50 20 BBGD COC(=O)NNC(=O)[C@@](C)(NC(C)=O)C(C)C 891772725 ROHZDPAKVBAKSQ-JTQLQIEISA-N 245.279 -0.076 50 20 BBGD OB(O)[C@H]1CCN(c2cnc(F)cn2)C1 900967253 YYZQTIZFAIJLJZ-LURJTMIESA-N 211.005 -0.331 50 20 BBGD O=C1CC[C@@H](C(=O)NN=Cc2ccncc2)N1 1118889904 WRBGIXSTNXNXRH-VIFPVBQESA-N 232.243 -0.190 50 20 BBGD CC(C)[C@@H](F)C(=O)NNC(=O)C(=O)NC1CC1 1320711214 PJQMEWSUQNCNKU-SSDOTTSWSA-N 245.254 -0.594 50 20 BBGD COCCn1ccc(C(=O)NN(C)C(N)=O)n1 1320893877 CFXBUZVAIJLMHS-UHFFFAOYSA-N 241.251 -0.815 50 20 BBGD C[C@H]1C[C@@H](C(=O)NNc2cnnn2C)CO1 1329573605 KJLVNZUVBMVRLK-NKWVEPMBSA-N 225.252 -0.317 50 20 BBGD C[C@@H](C(=O)NN(C)[C@H](C)CO)n1ccnc1 1329807043 POPICHUNRFUCEK-BDAKNGLRSA-N 226.280 -0.212 50 20 BBGD C[C@@H](CO)N(C)NC(=O)[C@@H](C)n1ccnc1 1329807045 POPICHUNRFUCEK-DTWKUNHWSA-N 226.280 -0.212 50 20 BBGD CO[C@H]1CCC[C@@H]1C(=O)NN(C)C(N)=O 1346948781 WQXQDVJCELMOBI-BQBZGAKWSA-N 215.253 -0.157 50 20 BBGD Cc1cc(C(=O)NNC(=O)[C@H]2C[C@@H]2F)n[nH]1 1349382428 XCPOXGAOVRLSED-WDSKDSINSA-N 226.211 -0.163 50 20 BBGD O=C(NNC(=O)[C@@H]1CCNC1=O)C1CCC1 1350685009 PMWAYCHGJNZALE-SSDOTTSWSA-N 225.248 -0.930 50 20 BBGD CC[C@@H](F)C(=O)NNC(=O)c1cnn(C)c1 1357926540 ZQOKRSBYZQRADR-SSDOTTSWSA-N 228.227 -0.071 50 20 BBGD CN1CCN(CCCNC(=O)CCl)CC1 40438542 ISBFVNTVCLBMQZ-UHFFFAOYSA-N 233.743 -0.021 50 20 BBGD C[C@@H]1C[C@@H]1C(=O)NNC(=O)N1CCOCC1 194903445 SVVARUZSADHBLO-SFYZADRCSA-N 227.264 -0.285 50 20 BBGD COC(=O)[C@@H]1C[C@@H]1C(=O)NNc1ccncn1 295613437 YXRNUIDHMDEDRL-NKWVEPMBSA-N 236.231 -0.271 50 20 BBGD O=C(O)C1(C(=O)NNc2ncccn2)CC1 309537559 FTZACBBCVOWENC-UHFFFAOYSA-N 222.204 -0.216 50 20 BBGD CCOC(=O)NNC(=O)[C@H](CC)C(=O)OC 497094288 ZRLZOSKYTMGRDL-LURJTMIESA-N 232.236 -0.037 50 20 BBGD C[C@@H](C(=O)Nc1cccc(B(O)O)c1)N(C)C 584911951 JFHBOQWQXZTMNJ-QMMMGPOBSA-N 236.080 -0.745 50 20 BBGD C/C=C/C[C@@H](CO)NCc1cccc(B(O)O)c1 585036716 PFDUHIXUPLSQQO-IBUXWKBASA-N 249.119 -0.217 50 20 BBGD Cn1cc(C(=O)NNC(=O)c2cn[nH]c2)cn1 735471127 PWEWJLVAEWOHOB-UHFFFAOYSA-N 234.219 -0.782 50 20 BBGD CCN(CC(=O)NNC(=O)NC)C1CC1 750852967 BLFAUDPYCFBPLZ-UHFFFAOYSA-N 214.269 -0.569 50 20 BBGD CCC[C@@H](NC(N)=O)C(=O)NNC(=O)N(C)C 759487734 WFFMABXQPVQBII-ZCFIWIBFSA-N 245.283 -0.874 50 20 BBGD CN1C(=O)CC[C@@H]1C(=O)NNC(=O)C1CC1 771604899 YLDMTOKSWPTGMT-SSDOTTSWSA-N 225.248 -0.835 50 20 BBGD N#CCc1cccc(C(=O)NNC(=O)CO)c1 777781845 MMVJBAVTBVSNKO-UHFFFAOYSA-N 233.227 -0.494 50 20 BBGD C[C@@H](O)C(=O)NNC(=S)NCC1CCC1 855090513 GTPAWMUNOTXMSG-ZCFIWIBFSA-N 231.321 -0.337 50 20 BBGD COC(OC)C(=O)NNC(=O)c1ccccn1 873722765 NVWROLXITJYIDQ-UHFFFAOYSA-N 239.231 -0.539 50 20 BBGD C#CCOCCC(=O)NN(C)C[C@H](C)O 910161114 SOOWMSQNZFYNQQ-VIFPVBQESA-N 214.265 -0.630 50 20 BBGD COC(=O)Cc1nc(NC(=O)CCl)n[nH]1 1253968449 QVVVGLADTJIWEZ-UHFFFAOYSA-N 232.627 -0.303 50 20 BBGD Cn1cnc(C(=O)NNc2ccncn2)c1 1334803857 VJMFSGCFBZPVHZ-UHFFFAOYSA-N 218.220 -0.033 50 20 BBGD CC(=O)NNC(=O)[C@@]1(C)C[C@@H](N)CCO1 1575015268 PMSZMMXNPAPXQN-IONNQARKSA-N 215.253 -0.950 50 20 BBGD C[C@H](CO)N(C)NC(=O)[C@]1(C(=O)O)CC1(C)C 1589072772 CWRFJXGTTGAZBY-HQJQHLMTSA-N 244.291 -0.169 50 20 BBGD CC(C)n1cc(C=NNC(=O)C(=O)O)cn1 1592126822 IXSXOMFCFPFQEJ-UHFFFAOYSA-N 224.220 -0.001 50 20 BBGD CCOC(=O)/C(C#N)=C\N[C@@H](CF)C(=O)O 1605503858 MKHXYBRMGOPPTP-RBSILHGTSA-N 230.195 -0.031 50 20 BBGD COC(=O)C=Cc1cccc(B(O)O)c1 1857776297 DZTWTEGVKAHSGN-UHFFFAOYSA-N 206.006 -0.447 50 20 BBGD COC(=O)NNC(=O)CNC(=O)C(C)(C)C 298140477 HVLMARNAEYXPFE-UHFFFAOYSA-N 231.252 -0.464 50 20 BBGD CCC(=O)NNC(=O)N1CCOCC1 299347630 GELORCXANLZDNB-UHFFFAOYSA-N 201.226 -0.531 50 20 BBGD COC(=O)NNC(=O)[C@H]1CO[C@H](C)C1 492389691 DFMSMDDDACQMSD-PHDIDXHHSA-N 202.210 -0.201 50 20 BBGD CC[C@H]1COC[C@H]1NCc1ccc(B(O)O)o1 585047092 GNCZSRFGVWZNOK-WCBMZHEXSA-N 239.080 -0.526 50 20 BBGD C[C@@H]1C[C@@H]1C(=O)NNC(=O)[C@@H]1CCOC1 730592339 GPAKUFFTSVHMDY-PRJMDXOYSA-N 212.249 -0.174 50 20 BBGD CCCCNC(=O)NNC(=O)CCCC(N)=O 787195060 ZCUZFRVONKLAFP-UHFFFAOYSA-N 244.295 -0.228 50 20 BBGD CS(=O)(=O)[C@@H]1CCCC(=NNC(N)=O)C1 788407931 IFURXFXHCBNOFX-SSDOTTSWSA-N 233.293 -0.002 50 20 BBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)[C@H]1CCCO1 814343996 KJLXICHTGAPEPD-IWSPIJDZSA-N 242.275 -0.262 50 20 BBGD COC[C@@H](OC)C(=O)NNC(=O)CC(C)C 820713590 IBJFLXOTAXJCQZ-MRVPVSSYSA-N 232.280 -0.159 50 20 BBGD NNC(=O)CNC(=O)c1ccc(F)cc1F 843042345 RHROVLQMNNMDPI-UHFFFAOYSA-N 229.186 -0.316 50 20 BBGD CN(CC(F)F)C(=O)c1cccc(B(O)O)c1 863874613 VNNCVGOVUNVHIE-UHFFFAOYSA-N 243.018 -0.297 50 20 BBGD COC(=O)[C@H](C)NCc1ccccc1B(O)O 863891351 NIVOOVNNPSRKEG-QMMMGPOBSA-N 237.064 -0.983 50 20 BBGD O=C(CN1C[C@H]2C[C@H]2C1)NNC(=O)C1CC1 886344993 PKXYWBVAKRAEQT-DTORHVGOSA-N 223.276 -0.505 50 20 BBGD COC(=O)NNC(=O)[C@@]1(OC)CCSC1 895513051 UYRPLTTYOBDGOK-MRVPVSSYSA-N 234.277 -0.104 50 20 BBGD CNC(=O)NNC(=O)[C@H]1CC[C@H]2CCCCN21 900352269 AKKYSLZXMUSNBZ-RKDXNWHRSA-N 240.307 -0.037 50 20 BBGD CCO[C@@H]1C[C@@H]1C(=O)NN(C)C[C@@H](C)O 910170017 IPOLPERSHHAWOS-HRDYMLBCSA-N 216.281 -0.245 50 20 BBGD C[C@@H](CO)N(C)NC(=O)Cc1cnc[nH]1 911445244 QCFFDFFTANGMIJ-ZETCQYMHSA-N 212.253 -0.704 50 20 BBGD CS(=O)(=O)NCCCNC=C(C#N)C#N 912977619 XJKXFCJISASPHO-UHFFFAOYSA-N 228.277 -0.554 50 20 BBGD Cc1ncncc1C(=O)NN(C)C[C@@H](C)O 1119581416 GKEDZFYAAARBSB-SSDOTTSWSA-N 224.264 -0.258 50 20 BBGD C[C@@H](O)CN(C)NC(=O)c1cccc[n+]1[O-] 1119643386 CIQICLSOFDZISR-MRVPVSSYSA-N 225.248 -0.723 50 20 BBGD COC(=O)C(=O)NNC(=O)NCCCCC#N 1318940774 CBOGEHDPKYRNFJ-UHFFFAOYSA-N 242.235 -0.816 50 20 BBGD CC(=NNC(=O)C(N)=O)c1cc(C)n(C)n1 1327046551 NKHJIYTZVRCQAG-UHFFFAOYSA-N 223.236 -0.946 50 20 BBGD Cn1ccc(CCC(=O)NNC(=O)C2CC2)n1 1327773164 MLCGUGVROPPKIV-UHFFFAOYSA-N 236.275 -0.090 50 20 BBGD CNC(=O)NNC(=O)CCc1ccnc(C)n1 1327789886 YAPXWZULMUWERB-UHFFFAOYSA-N 237.263 -0.322 50 20 BBGD O=C(Cc1cc[nH]n1)NNC(=O)[C@H]1CCOC1 1337795577 HOJVYSYGLOFXRF-ZETCQYMHSA-N 238.247 -0.864 50 20 BBGD CCNC(=O)N(C)NC(=O)[C@H](C)CC(=O)O 1596462663 AKDPMDAFUPWKSV-ZCFIWIBFSA-N 231.252 -0.210 50 20 BBGD CC(C)(C)C(=O)NNC(=O)COCC(=O)O 1602847682 PKDKWNJVKCGUON-UHFFFAOYSA-N 232.236 -0.719 50 20 BBGD CC(C)NC(=S)NNC(=O)[C@@H](C)C(=O)O 1609828161 IDHYBAJXSMBPND-RXMQYKEDSA-N 233.293 -0.389 50 20 BBGD CCCCCC(=O)NNC(=O)C(=O)NC1CC1 41998708 OQWRPVGEQWNBJK-UHFFFAOYSA-N 241.291 -0.007 50 20 BBGD CC(C)NC(=O)NNC(=O)/C=C/CN(C)C 265665961 RWZFSVVOPGROBQ-AATRIKPKSA-N 228.296 -0.157 50 20 BBGD C[C@H](NC(=O)c1ccc(B(O)O)cc1)C1CC1 584996062 WLLAZNACNZISCO-QMMMGPOBSA-N 233.076 -0.105 50 20 BBGD Cc1nnc(N2CC[C@@H](B(O)O)C2)s1 585073906 QGDXCTLRXBMMFY-ZCFIWIBFSA-N 213.071 -0.100 50 20 BBGD Cc1cc(O)c(C=NNC(=O)C(N)=O)cc1C 741756500 HEIOXKDOWVEAFG-UHFFFAOYSA-N 235.243 -0.056 50 20 BBGD CN1CCC(C(=O)NNC(=O)C(C)(C)O)CC1 768262775 XYOOETFXQFAXQZ-UHFFFAOYSA-N 243.307 -0.754 50 20 BBGD CN(NC(=O)c1ccc2nc(O)[nH]c2c1)C(N)=O 778415055 MJMNXCKLCYWLTI-UHFFFAOYSA-N 249.230 -0.076 50 20 BBGD CCNC(=O)N(C)NC(=O)c1cnn(C)n1 803076285 SPAOKMTYFSNWFA-UHFFFAOYSA-N 226.240 -0.879 50 20 BBGD CC(C)C(=O)NNC(=O)[C@](C)(O)C1CC1 804162718 QDESRHQMAVWALV-SNVBAGLBSA-N 214.265 -0.049 50 20 BBGD CN(NC(=O)Cc1cncc(O)c1)C(N)=O 816958612 XNFXLTVUOOEFOB-UHFFFAOYSA-N 224.220 -0.629 50 20 BBGD CNC(=S)N(C)NC(=O)[C@H]1CCC(=O)N1C 822548024 UHRUCNMYWAZJRJ-ZCFIWIBFSA-N 244.320 -0.926 50 20 BBGD CCn1cnc(C(=O)NN(C)C[C@H](C)O)c1 823592584 SEKFUVJDNWJLAA-QMMMGPOBSA-N 226.280 -0.140 50 20 BBGD CCN(CCO)NC(=O)C[C@@H](C)CC(=O)OC 823884660 DNFZLEUGPAUPFN-SECBINFHSA-N 246.307 -0.079 50 20 BBGD CCOC(=O)/C(C#N)=C/N[C@@H]1COC[C@H]1OC 843265906 YJOZGGVOFPCKQR-STFJZOTBSA-N 240.259 -0.040 50 20 BBGD C[C@@H](CBr)CNC(CO)CO 846938227 IHLTYGMFAPLESX-LURJTMIESA-N 226.114 -0.040 50 20 BBGD COC(=O)C[C@@H](O)CNS(=O)(=O)CCl 859343682 DIURKDGFLRPEAN-RXMQYKEDSA-N 245.684 -0.974 50 20 BBGD COCCN(C)NC(=O)[C@H]1CCOC(=O)N1 861657175 ORUJKOPSBSSCCN-SSDOTTSWSA-N 231.252 -0.906 50 20 BBGD CC[C@H](NNC(=O)c1cn[nH]c1)C(=O)OC 863378690 QIXKUFVJCMXLSM-ZETCQYMHSA-N 226.236 -0.404 50 20 BBGD CNC(=O)NNC(=O)c1cc(C=O)[nH]c1C 1116961299 YSWMUPFAHRDCLQ-UHFFFAOYSA-N 224.220 -0.291 50 20 BBGD Cc1nc[nH]c1C(=O)N1CC[C@@H](B(O)O)C1 1119540460 OLKJMFYOJYYZSV-SSDOTTSWSA-N 223.041 -0.593 50 20 BBGD Cc1cnc(C(=O)N2CC[C@@H](B(O)O)C2)cn1 1331896404 QXESYMGDIAYGLG-MRVPVSSYSA-N 235.052 -0.526 50 20 BBGD CNC(=O)CCCCC(=O)NN(C)C[C@@H](C)O 1332176205 VHELBGICHMXADI-SECBINFHSA-N 245.323 -0.363 50 20 BBGD Cc1cccnc1NNC(=O)[C@@H](N)[C@@H](C)O 1579809074 QNJLYWUXZVMBLK-SFYZADRCSA-N 224.264 -0.459 50 20 BBGD O=S(=O)(CCCCl)NCCO 38672812 HJDXZKFRXTZMBD-UHFFFAOYSA-N 201.675 -0.473 50 20 BBGD O=C(Cc1cc[nH]n1)NNC(=O)c1ccccn1 171672598 WMFWWGVXVMSEHI-UHFFFAOYSA-N 245.242 -0.192 50 20 BBGD C[C@@H](C(=O)NNC(=O)c1ccc[nH]1)N(C)C 750606484 LHMPRINGXJGULD-ZETCQYMHSA-N 224.264 -0.274 50 20 BBGD Cc1cc(C(=O)NNC(=O)C(C)(C)O)ncn1 768260064 RHGXPHIYCRHBQF-UHFFFAOYSA-N 238.247 -0.683 50 20 BBGD NC(=O)c1cccc(C(=O)NNC(=O)C2CC2)n1 781572057 QNZPFAOPACQJCQ-UHFFFAOYSA-N 248.242 -0.649 50 20 BBGD CNC(=O)NCCC(=O)NNC(=O)NC(C)C 814652752 JUBGILAYTUUSEG-UHFFFAOYSA-N 245.283 -0.956 50 20 BBGD C[C@@H](CO)N(C)NC(=O)C[C@H]1CCCC(=O)N1 823923984 WVPODFHXQFUUIM-DTWKUNHWSA-N 243.307 -0.611 50 20 BBGD CCC[C@@](C)(O)C(=O)NN(C)[C@H](C)CO 823945939 ATATYYIUGYAWDJ-PSASIEDQSA-N 218.297 -0.119 50 20 BBGD C[C@H](C(=O)NN(C)[C@@H](C)CO)c1cnn(C)c1 823946789 OQASYJYGAGYAJE-IUCAKERBSA-N 240.307 -0.133 50 20 BBGD C[C@H](CO)N(C)NC(=O)c1n[nH]c2c1CCC2 823971209 QPVJCRXRNGUTSF-SSDOTTSWSA-N 238.291 -0.144 50 20 BBGD Cn1cc(C(=O)NNC(=O)CCCF)cn1 828087590 KXIIRBGHXNICIS-UHFFFAOYSA-N 228.227 -0.069 50 20 BBGD CC(=NNC(=O)CN(C)C)c1cn(C)cn1 872348311 VHKTXAWWIVQVGI-UHFFFAOYSA-N 223.280 -0.178 50 20 BBGD CN1CCC[C@H]1C(=O)NNc1nc[nH]n1 897777971 VKKCSWVGTHQHPN-LURJTMIESA-N 210.241 -0.658 50 20 BBGD N#CCCCC(=O)NNC(=O)Cc1cc[nH]n1 1324026468 IILXOWFNHCSUSS-UHFFFAOYSA-N 235.247 -0.207 50 20 BBGD CNC(=O)/C(C#N)=C\c1cn(CC(=O)O)nn1 1333689166 MEMLNEUCTABZOI-KXFIGUGUSA-N 235.203 -0.984 50 20 BBGD C[C@H](C(=O)NNc1cccnn1)[C@H]1CCC(=O)N1 1351520747 FTZLBCFIRWCHFY-JGVFFNPUSA-N 249.274 -0.166 50 20 BBGD COCCN(C)NC(=O)[C@@H](O)c1ccccn1 1358228287 PBIVJJOEJPMVFG-JTQLQIEISA-N 239.275 -0.276 50 20 BBGD CCN(CCO)NC(=O)[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1N 1577725787 OKXJXJDJXNXMLS-MMWGEVLESA-N 241.335 -0.295 50 20 BBGD CNC(=O)NNC(=O)c1ccnc(C(=O)O)c1 1610140529 AHYBLWUNHATOJR-UHFFFAOYSA-N 238.203 -0.646 50 20 BBGD NCCC(=O)NNC(=O)c1ccncc1 49814179 AJMYNQQXLXDIBN-UHFFFAOYSA-N 208.221 -0.809 50 20 BBGD CN(NC(=O)CN1CCCCC1=O)C(N)=O 182663245 COWCQLNLGLKWHN-UHFFFAOYSA-N 228.252 -0.959 50 20 BBGD CNC[C@H](C)C(=O)NNc1ncccn1 309646705 QPTXCJRRXLUUJN-ZETCQYMHSA-N 209.253 -0.225 50 20 BBGD CC(=NNC(=O)C(N)=O)c1ccc(N)cc1 381305227 JPIXOXBWHGRXLI-UHFFFAOYSA-N 220.232 -0.406 50 20 BBGD CC[C@@H](NS(=O)(=O)CCl)C(N)=O 382230283 CTOPGMBZLIUZIV-SCSAIBSYSA-N 214.674 -0.634 50 20 BBGD CO[C@@H]1CC[C@@H](NCc2ccc(B(O)O)o2)C1 585038183 VLONIBKONNMGOV-RKDXNWHRSA-N 239.080 -0.384 50 20 BBGD CSc1ccc(C(=O)NCB(O)O)o1 585059817 BVACDSRRRAHTLT-UHFFFAOYSA-N 215.039 -0.257 50 20 BBGD CCOCCC(=O)NNC(=O)NC1CC1 728190910 QMQWAEWOMWBVEV-UHFFFAOYSA-N 215.253 -0.094 50 20 BBGD C=CCOCC(=O)NNC(=O)NCCC 729345437 MWSAWYACVIUUFR-UHFFFAOYSA-N 215.253 -0.071 50 20 BBGD CC(C)C(=O)NNC(=O)[C@H]1C[C@@H]1C(=O)O 736347687 WSJJKPRVOUSCFS-WDSKDSINSA-N 214.221 -0.490 50 20 BBGD Cc1nc(C(=O)NNC(=O)Cc2cc[nH]n2)co1 801616251 GQLBNRHXDNSFDV-UHFFFAOYSA-N 249.230 -0.290 50 20 BBGD CCN(CCO)NC(=O)CN(C)C(C)C 823852235 AGNNTUDEZQQRFI-UHFFFAOYSA-N 217.313 -0.328 50 20 BBGD CC(C)(C)C(=O)NNC(=O)[C@@H]1CC[C@H]1C(N)=O 847345763 MUGQOHIISVLLJC-RNFRBKRXSA-N 241.291 -0.309 50 20 BBGD CC#CC[C@@H](CO)NCc1ccc(B(O)O)cc1 895103587 YNCPEMSAFJZGNA-ZDUSSCGKSA-N 247.103 -0.770 50 20 BBGD O=C(CCl)NCCCN1C(=O)CCC1=O 1116434367 TVIKZVRBRXFBEE-UHFFFAOYSA-N 232.667 -0.120 50 20 BBGD COC(=O)C(=O)NNC(=O)N[C@@H](C)CC(C)C 1253535535 HPTOXNDZWMINAL-ZETCQYMHSA-N 245.279 -0.076 50 20 BBGD C[C@H](O)CN(C)NC(=O)C1(F)CCOCC1 1262178772 QEADVQPKBSNOLE-QMMMGPOBSA-N 234.271 -0.151 50 20 BBGD Cn1ccnc(NNC(=O)c2ccncc2)c1=O 1318919803 QFCRSTNWUKTBEW-UHFFFAOYSA-N 245.242 -0.068 50 20 BBGD COC(=O)NNC(=O)C(=O)c1ccc(O)cc1 1322821670 AWTJAGZLANJCIB-UHFFFAOYSA-N 238.199 -0.038 50 20 BBGD COC(=O)C1CCC(=NNC(=O)C(N)=O)CC1 1324564955 XFVNAJDJVIHUOB-UHFFFAOYSA-N 241.247 -0.693 50 20 BBGD O=C(CC1CCOCC1)N1CC[C@@H](B(O)O)C1 1329216004 SUNOLKDOXBDSPY-SNVBAGLBSA-N 241.096 -0.122 50 20 BBGD C[C@]1(C(=O)NNc2ncccn2)CCNC1=O 1329818985 MMQGIPCTIIEQIS-JTQLQIEISA-N 235.247 -0.554 50 20 BBGD CC(=O)NNC(=O)[C@@H]1C[C@H]1c1cncn1C 1333767436 UTZBVZDAZAXASY-HTQZYQBOSA-N 222.248 -0.309 50 20 BBGD O=C(NNC(=O)[C@@H]1CCCS1(=O)=O)C1CC1 1349779927 XFVSOPWWLAQROH-ZETCQYMHSA-N 246.288 -0.879 50 20 BBGD CC(C)(C)NC(=S)NNC(=O)[C@H]1C[C@H]1CN 1575141409 NNUOVOGMSSZIGH-BQBZGAKWSA-N 244.364 -0.125 50 20 BBGD NCCC(=O)NNC(=O)c1ccccc1 49813718 AYMQEBGQTFQBRT-UHFFFAOYSA-N 207.233 -0.204 50 20 BBGD CC(=O)NCCNC(=O)NNc1ccccn1 193101756 RBZWMPZQVWJFTI-UHFFFAOYSA-N 237.263 -0.156 50 20 BBGD CCC(=O)NNC(=O)C(=O)NC(CC)CC 265849442 CVTZAEQUCJPMGZ-UHFFFAOYSA-N 229.280 -0.151 50 20 BBGD CC(C)[C@@H](O)CNCc1ccc(B(O)O)cc1 585025169 NHCNQDIJJFYGSZ-LBPRGKRZSA-N 237.108 -0.527 50 20 BBGD CCCNC(=O)NNC(=O)[C@H](C)n1cncn1 729920611 NHKSAFDFDHQVQF-ZETCQYMHSA-N 240.267 -0.421 50 20 BBGD CC(=O)NNC(=O)CN(C)[C@H]1CCSC1 760891191 WKEZVEVXKJJMDV-QMMMGPOBSA-N 231.321 -0.409 50 20 BBGD CN1C(=O)CC[C@H]1C(=O)NNc1ncccn1 771620706 MULVZRAZPUJVIK-ZETCQYMHSA-N 235.247 -0.460 50 20 BBGD CCNC(=O)N(C)NS(=O)(=O)CCCF 782478640 QRZVSSUXBIJCKJ-UHFFFAOYSA-N 241.288 -0.158 50 20 BBGD CCNC(=O)N(C)NC(=O)[C@@H](C)[C@H](C)N 831945430 QHIWZCKQQXIJLN-BQBZGAKWSA-N 216.285 -0.338 50 20 BBGD C=C[C@@](C)(O)C(=O)NNC(=O)[C@H]1CCCCO1 854682733 GFSOZRSOORPVAX-LDYMZIIASA-N 242.275 -0.360 50 20 BBGD C/C=C(\CC)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862458823 JPDDFOLWGAVUCM-DKCNVOGISA-N 239.275 -0.231 50 20 BBGD CS(=O)(=O)CC(=O)NN=Cc1ccc[nH]1 863189096 YJKNCUQRSMFGKI-UHFFFAOYSA-N 229.261 -0.491 50 20 BBGD CCCC(=O)NNC(=O)COCCOC 869914216 XBXZPLXKYCUVKJ-UHFFFAOYSA-N 218.253 -0.403 50 20 BBGD C[C@@H]1CCN1C(=O)c1cccc(B(O)O)c1 914165730 MQHDNLSBUFHJMI-MRVPVSSYSA-N 219.049 -0.399 50 20 BBGD COCn1ccc(C(=O)NNC(=O)N(C)C)n1 1118636652 TZPSZBKEBGXRRL-UHFFFAOYSA-N 241.251 -0.597 50 20 BBGD COC(=O)C(=O)NNC(=O)N[C@H]1CC[C@@H](C)C1 1331244853 NSEOLRPSGUCFEN-RQJHMYQMSA-N 243.263 -0.322 50 20 BBGD COCCOCC(=O)NN=C1COC[C@H]1C 1331976301 MJLVLMJDLQYHRB-MRVPVSSYSA-N 230.264 -0.212 50 20 BBGD C[C@H](C(=O)NN(C)C(N)=O)n1ccnc1 1337364807 HDWOQNDWPVKARL-ZCFIWIBFSA-N 211.225 -0.514 50 20 BBGD C[C@H](C(=O)N1CC[C@@H](B(O)O)C1)n1cccn1 1348490508 RSXIUAJFOPONCK-RKDXNWHRSA-N 237.068 -0.481 50 20 BBGD C=C(C)CCC(=O)NNC(=O)CS(C)(=O)=O 1358476470 XMWABRZSBOMANU-UHFFFAOYSA-N 248.304 -0.465 50 20 BBGD C[C@@H]1CCCC[C@H]1NC(=O)NNC(=O)C(=O)O 1609853221 UCQBPYSEPRCFSV-RNFRBKRXSA-N 243.263 -0.020 50 20 BBGD C[C@@]1(O)CCN(S(=O)(=O)CCl)C1 235419260 GAEGQSLEMNZTAI-ZCFIWIBFSA-N 213.686 -0.031 50 20 BBGD O=S(=O)(CCl)NCCCCO 236501214 QUKBJQKQEBDPKU-UHFFFAOYSA-N 201.675 -0.125 50 20 BBGD COC(=O)NCC(=O)NNC(=O)CC(C)C 299181191 ZHZYVPMMNIHXQE-UHFFFAOYSA-N 231.252 -0.464 50 20 BBGD O=C(CO)NNC(=O)[C@@H]1C[C@H]1c1ccco1 367731552 UJCQAEWLMXTUPB-RNFRBKRXSA-N 224.216 -0.477 50 20 BBGD CO[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)C1 394759185 UNFPQINTPPQUPA-NSHDSACASA-N 249.075 -0.773 50 20 BBGD CO[C@@H](CNCc1ccccc1B(O)O)C1CC1 585043528 QNTACIGPDWFGFM-ZDUSSCGKSA-N 249.119 -0.119 50 20 BBGD CCOCc1nc(-c2ccc(B(O)O)cc2)no1 585049414 PQRSPEPYHGASSE-UHFFFAOYSA-N 248.047 -0.047 50 20 BBGD O=C(NCB(O)O)c1cccc2ccncc12 585062557 KOHXENBPEHUPQF-UHFFFAOYSA-N 230.032 -0.023 50 20 BBGD CC(C)NC(=O)NNC(=O)[C@@H]1C[C@H]1C(=O)O 736476914 XAQDHHRAORAJNR-PHDIDXHHSA-N 229.236 -0.554 50 20 BBGD CC[C@@H](OC)C(=O)NNC(=O)C(C)(C)O 768260876 YDMWZMUEPQMFOP-ZCFIWIBFSA-N 218.253 -0.670 50 20 BBGD CCNC(=O)N(C)NC(=O)[C@H]1CCNC(=O)C1 780711943 MFYRDJXQEBVJES-ZETCQYMHSA-N 242.279 -0.795 50 20 BBGD CNC(=O)NNC(=O)[C@]1(C)CCCOC1 781304712 DDKMXNVJYNTFLS-SECBINFHSA-N 215.253 -0.237 50 20 BBGD CCOC(=O)NNC(=O)[C@@](C)(C#N)CC(=O)O 820369066 MIOOYIKUGYFJIB-SECBINFHSA-N 243.219 -0.232 50 20 BBGD CCN(CCO)NC(=O)[C@@H]1[C@H]2CCCO[C@H]21 823874595 VGRPCKKYRFSJAW-OPRDCNLKSA-N 228.292 -0.243 50 20 BBGD C[C@@H](CO)N(C)NC(=O)c1cn(C2CC2)nn1 823907029 FYQYRLYZKQFVSA-ZETCQYMHSA-N 239.279 -0.430 50 20 BBGD C[C@@H](CO)N(C)NC(=O)c1nccn2ccnc12 823917184 DOAOONJUNCFGEE-QMMMGPOBSA-N 249.274 -0.313 50 20 BBGD CCC(F)(F)C(=O)NNC(=O)c1ncon1 832830191 LKQGAUFBANFRTQ-UHFFFAOYSA-N 234.162 -0.124 50 20 BBGD CC(C)[C@@H](O)C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 843969991 AODGYNHIZFTIQK-IWSPIJDZSA-N 244.291 -0.424 50 20 BBGD CC[C@@H](C#N)C(=O)NNC(=O)N1CCOCC1 845335697 HYLHFVJTCDYVQK-QMMMGPOBSA-N 240.263 -0.391 50 20 BBGD C/C=C(\C)C(=O)NNC(=O)N1CCN(C)CC1 854379071 NGMHORCCYQVDBS-RUDMXATFSA-N 240.307 -0.059 50 20 BBGD CC(C)[C@H](NC=O)C(=O)NNC(=O)C1CCC1 859327923 GFNDJPMLPPKTQZ-VIFPVBQESA-N 241.291 -0.296 50 20 BBGD C[C@H](O)CN(C)NC(=O)C(C)(C)CO 910160399 NMWZHWMZUCOBCY-ZETCQYMHSA-N 204.270 -0.651 50 20 BBGD Cc1nonc1C(=O)NN(C)C[C@@H](C)O 910166601 BTVCQXRDSOGJFL-RXMQYKEDSA-N 214.225 -0.665 50 20 BBGD CC(C)C(=O)NNC(=O)[C@H]1CC(=O)N(C)C1 914881773 UTQOMRMOBQUYAA-ZETCQYMHSA-N 227.264 -0.732 50 20 BBGD NC(=O)NNc1ccc(-n2cccn2)nn1 917666411 ZZOKPHZQYCLRRY-UHFFFAOYSA-N 219.208 -0.343 50 20 BBGD CNC(=O)CCCC(=O)NNC(=O)C1CC1 1116516605 AWVGJQMYFMTZPV-UHFFFAOYSA-N 227.264 -0.540 50 20 BBGD Cn1cc2c(n1)CCCC2=NNC(=O)CCO 1321066948 DGKBWPZMYDZUOT-UHFFFAOYSA-N 236.275 -0.041 50 20 BBGD Cc1nnc(NNC(=O)[C@@H]2CCOC2)nc1O 1322052899 UAPCHMUKYVEVKT-ZCFIWIBFSA-N 239.235 -0.635 50 20 BBGD CC(C)NC(=S)NNC(=O)[C@@H](O)C(C)C 1324294858 GELYUTVPGLCBPY-ZETCQYMHSA-N 233.337 -0.093 50 20 BBGD CC(=NNC(=O)C(N)=O)c1ccc(C(=O)O)o1 1326527593 VYBVTDUWRPAGRM-UHFFFAOYSA-N 239.187 -0.697 50 20 BBGD O=C1CC[C@H](C(=O)NNC(=O)NC2CCC2)N1 1329736436 SORKRLQPWNKVCX-SSDOTTSWSA-N 240.263 -0.852 50 20 BBGD C[C@@H](CO)N(C)NC(=O)CCCn1cncn1 1332114459 SHHJLINSRCPGMR-VIFPVBQESA-N 241.295 -0.598 50 20 BBGD CC(C)(C)NC(=S)NNC(=O)c1ncon1 1334397639 ODEGYRONHYNPGK-UHFFFAOYSA-N 243.292 -0.023 50 20 BBGD CC(C)C(=O)NNC(=O)[C@]1(CN)CCCOC1 1575398634 PPHJUQMQYRLFSG-NSHDSACASA-N 243.307 -0.455 50 20 BBGD COC(=O)N(C)NC(=O)[C@@]1(C(=O)O)CCCO1 1593855743 HRGPOCYOUKVIQH-SECBINFHSA-N 246.219 -0.650 50 20 BBGD C[C@@H]1CC[C@H]1NC(=O)NNC(=O)C(=O)O 1594333205 UNMNEOFJSUIDSX-RFZPGFLSSA-N 215.209 -0.800 50 20 BBGD Cc1ccc(C=NNC(=O)C(N)=O)s1 245263464 AEWOJKXCWAPCQY-UHFFFAOYSA-N 211.246 -0.008 50 20 BBGD COC(=O)N[C@@H](C)C(=O)NNC(=O)CC(C)C 270526097 SVMKXUDDDXLILT-ZETCQYMHSA-N 245.279 -0.076 50 20 BBGD COC(=O)C1(C(=O)NNC(=O)CC2CC2)CC1 294296728 WRLVLMSWONABCS-UHFFFAOYSA-N 240.259 -0.113 50 20 BBGD COC(=O)NNC(=O)c1cnc(S)[nH]1 495777734 OUXYRIKQCXVLPI-UHFFFAOYSA-N 216.222 -0.301 50 20 BBGD OB(O)c1ccc(CNC[C@@H](O)C(F)F)cc1 585039123 NSTAXAMATDJCAV-SECBINFHSA-N 245.034 -0.918 50 20 BBGD Cc1nn[nH]c1C(=O)NNC(=O)C(C)(C)C 789897250 DMLGOJMTEJCGGB-UHFFFAOYSA-N 225.252 -0.080 50 20 BBGD CC(=O)NNC(=O)C(C)(C)N1CCOCC1 791292291 KDQCIVRWEOIVQV-UHFFFAOYSA-N 229.280 -0.736 50 20 BBGD O=C(CCn1cncn1)NNC(=O)CC1CC1 819114858 TUGYHDDPZYQNNQ-UHFFFAOYSA-N 237.263 -0.384 50 20 BBGD CC(=O)NCC(C)(C)C(=O)NN(C)[C@@H](C)CO 823913347 SBRIJOKMVQXRKR-QMMMGPOBSA-N 245.323 -0.508 50 20 BBGD CCCNC(=O)NNC(=O)[C@H]1CC(C)=NO1 823950149 DKRHKLAXMNXMLX-SSDOTTSWSA-N 228.252 -0.108 50 20 BBGD CCOCC(=O)NNC(=O)N[C@@H](C)C[C@@H](C)N 831212158 MCWLZCQVFLLYKV-SFYZADRCSA-N 246.311 -0.521 50 20 BBGD CCCNC(=O)NNC(=O)[C@H]1C[C@@H](O)C1 874213969 LYBRPNNXIFSYHC-KNVOCYPGSA-N 215.253 -0.502 50 20 BBGD NC(=O)C(=O)NN=Cc1ccc(O)c(Cl)c1 921251514 PSUHJILZJCEONZ-UHFFFAOYSA-N 241.634 -0.019 50 20 BBGD CCNC(=O)NNC(=O)c1ccn(COC)n1 1261675146 SVVXEQSSLTVJIL-UHFFFAOYSA-N 241.251 -0.549 50 20 BBGD C#CCCCC(=O)NNC(=O)C(=O)NC1CC1 1321935016 AJCTVTDRBMHCTO-UHFFFAOYSA-N 237.259 -0.784 50 20 BBGD CCNC(=O)NNC(=O)c1ccc(C#N)cn1 1322567641 WYSDLJLDHFJFOM-UHFFFAOYSA-N 233.231 -0.083 50 20 BBGD CCCNC(=O)NNC(=O)c1cnc[nH]1 1328900096 RVTLHIZTQVZVNI-UHFFFAOYSA-N 211.225 -0.236 50 20 BBGD Cn1ccc(NNC(=O)[C@@H]2CC[C@@H]2C(N)=O)n1 1328987701 HUPOQAAKGPGTGK-NKWVEPMBSA-N 237.263 -0.625 50 20 BBGD COCCc1ncc(C=NNC(=O)CO)s1 1332318488 MPTCYIOABGVLSZ-UHFFFAOYSA-N 243.288 -0.226 50 20 BBGD O=C(CCc1cn[nH]c1)NNC(=O)NC1CC1 1333089671 HWEYBDXQUQKOCT-UHFFFAOYSA-N 237.263 -0.165 50 20 BBGD COCCn1nnnc1N1CC=C(C#N)CC1 1351013793 AAECMULDDVVWHV-UHFFFAOYSA-N 234.263 -0.020 50 20 BBGD CN(NC(=O)C[C@@H]1CCCNC1)C(N)=O 1574079607 WGAXLDAUJKPBBX-ZETCQYMHSA-N 214.269 -0.582 50 20 BBGD Cn1nncc1NNC(=O)C1(C(=O)O)CCC1 1594597861 GCTCDDJNLMWMML-UHFFFAOYSA-N 239.235 -0.487 50 20 BBGD O=C1C[C@H](C(=O)NNc2ccccc2C(=O)O)N1 1602631001 GPZGFHCOHQJWJJ-MRVPVSSYSA-N 249.226 -0.284 50 20 BBGD O=C(NNC(=O)C(=O)O)Nc1ccccn1 1610699427 ZLXNFCAPBVGXAD-UHFFFAOYSA-N 224.176 -0.681 50 20 BBGD CC[C@H](C(=O)NNC(=O)NC)C(=O)OC 276841535 PCZVHDUGRDAQIK-RXMQYKEDSA-N 217.225 -0.854 50 20 BBGD C=C[C@](C)(O)CC(=O)NNC(=O)[C@@H]1CCCO1 294703555 RDSCEJLSUSCYPD-KWQFWETISA-N 242.275 -0.360 50 20 BBGD CC[C@H](OC)C(=O)NNC(=O)N(C)C 299345597 FWSUSONBPBNZNU-LURJTMIESA-N 203.242 -0.286 50 20 BBGD COC[C@@H](C)NCc1ccccc1B(O)O 585032586 WSXWBFGHFWAEQO-SECBINFHSA-N 223.081 -0.509 50 20 BBGD C[C@@H]1COCC[C@H]1NCc1ccc(B(O)O)o1 585038211 WKZBEAMMWCVWKT-PSASIEDQSA-N 239.080 -0.526 50 20 BBGD C[C@@H]1CN(C)CC1=NNC(=O)N1CCOCC1 752165857 ZMCQTSAALORKGF-SECBINFHSA-N 240.307 -0.034 50 20 BBGD CC(C)NC(=O)NNC(=O)C(C)(C)C(N)=O 767758679 QXKDZYQJHYBZOC-UHFFFAOYSA-N 230.268 -0.763 50 20 BBGD Cn1cccc1C(=O)NNC(=O)c1nc[nH]n1 773263508 WUOVYPMVGPRVRR-UHFFFAOYSA-N 234.219 -0.782 50 20 BBGD C[C@@H]1C[C@@H](C(=O)NNC(=O)CN(C)C)CCO1 776475709 WNWNAERUBXOPCL-BDAKNGLRSA-N 243.307 -0.490 50 20 BBGD O=C1CCC[C@H](C(=O)NNC(=O)NC2CC2)N1 799583222 XEQGCKKUZJILHF-SSDOTTSWSA-N 240.263 -0.852 50 20 BBGD CC(C)NC(=O)NN=Cc1cnn(C)n1 814820229 VAMBZWPKJKSJDZ-UHFFFAOYSA-N 210.241 -0.143 50 20 BBGD C[C@H](CO)N(C)NC(=O)C[C@](C)(O)C1CC1 823939335 JEAXWHBGPISWML-KCJUWKMLSA-N 230.308 -0.119 50 20 BBGD CCC[C@@H](OC)C(=O)NNC(=O)C(C)(C)O 830696390 GHCPENXNZAGVAC-SSDOTTSWSA-N 232.280 -0.280 50 20 BBGD Cn1ncnc1C=NNC(=O)[C@H]1CCCCO1 842536673 WQHHVJMQJLZMLG-MRVPVSSYSA-N 237.263 -0.166 50 20 BBGD CNC(=O)NNC(=O)[C@@H](CC(C)C)NC(C)=O 858747275 DOESYYSRYFMQHL-MRVPVSSYSA-N 244.295 -0.503 50 20 BBGD CC1(CC(=O)NNC(=O)CS(C)(=O)=O)CC1 863464988 ODDHBHKSVXKDNZ-UHFFFAOYSA-N 248.304 -0.631 50 20 BBGD C[S@](=O)c1ccc(C=NNC(=O)CO)cc1 1116493791 YLRMLFHSTIIYEH-INIZCTEOSA-N 240.284 -0.134 50 20 BBGD Cn1cc([C@@H](O)C(=O)NNc2ncccn2)cn1 1116960727 FSPOOVDKMXQODP-MRVPVSSYSA-N 248.246 -0.613 50 20 BBGD Cc1cnc(COCC(=O)NN(C)C(N)=O)o1 1117143392 NXIFEHXTXFLRBW-UHFFFAOYSA-N 242.235 -0.459 50 20 BBGD CC[C@@H](C#N)C(=O)NNc1cnnn1C 1261772800 JXGNFFSFMVXNTA-LURJTMIESA-N 208.225 -0.192 50 20 BBGD CC(=NNC(=O)C(N)=O)c1ccncc1 1317698717 QNQOSSDXEHDCGH-UHFFFAOYSA-N 206.205 -0.593 50 20 BBGD COC(=O)[C@@]1(NC(=O)CCl)CCOC1 1319921352 DPSYMMXLQYNHTD-MRVPVSSYSA-N 221.640 -0.327 50 20 BBGD COC(=O)NNC(=O)c1nnc(C)s1 1325039114 XBHSAGSWVCCXKM-UHFFFAOYSA-N 216.222 -0.153 50 20 BBGD O=C(O)C1(CNCc2cccc(B(O)O)c2)CC1 1331931252 BEYPCIFBXWHLFL-UHFFFAOYSA-N 249.075 -0.679 50 20 BBGD COC(=O)CC(=O)NNC(=O)C1CCOCC1 1333518683 FDJMMYCISKQICZ-UHFFFAOYSA-N 244.247 -0.877 50 20 BBGD CN(NC(=O)c1cccnc1O)C(N)=O 1337362459 AIMKTILHSHWALZ-UHFFFAOYSA-N 210.193 -0.558 50 20 BBGD CC(C)C(=O)NNC(=O)[C@@H]1CCCN1C(N)=O 1339853535 OCXGNOQLVHDVBK-ZETCQYMHSA-N 242.279 -0.667 50 20 BBGD CC(=O)NNC(=O)c1cc(CO)c(C)o1 1348501013 FLBXGPXRMFZXLA-UHFFFAOYSA-N 212.205 -0.139 50 20 BBGD O=C(CO)NN=Cc1cc(C(=O)O)ccc1O 1601330511 XTJAZOFVFBDHMR-UHFFFAOYSA-N 238.199 -0.467 50 20 BBGD Cc1ccsc1C(=O)NNC(=O)CO 180949893 AYOKBOUKIMMCPY-UHFFFAOYSA-N 214.246 -0.190 50 20 BBGD OB(O)c1ccc(OC[C@H]2CCCO2)cc1 197957874 YBNLRICTIMRRJI-LLVKDONJSA-N 222.049 -0.076 50 20 BBGD O=C(CO)NNC(=O)CC(F)(F)F 308197306 UGLXDAZYJOQPEZ-UHFFFAOYSA-N 200.116 -0.922 50 20 BBGD CCNC(=O)NNC(=O)/C=C/OCC 493864820 ZVXJXPMGOQRHME-AATRIKPKSA-N 201.226 -0.113 50 20 BBGD C=CCCO[C@H](C)C(=O)NNC(=O)C(C)(C)O 787947831 ZYZSBKCIJWXLLP-MRVPVSSYSA-N 244.291 -0.114 50 20 BBGD Cn1cc(C(=O)NN=Cc2ccn(C)n2)cn1 814852330 SWZGLVXRNBCKNO-UHFFFAOYSA-N 232.247 -0.083 50 20 BBGD C[C@@](C#N)(CC(=O)O)C(=O)NNC(=O)C1CC1 819849194 YCYOBFYASZQAJZ-JTQLQIEISA-N 239.231 -0.452 50 20 BBGD Cn1cc(C#N)cc1C(=O)NNC(=O)O 830990041 YSMKISVXZACWAU-UHFFFAOYSA-N 208.177 -0.191 50 20 BBGD O=CN1CCC[C@H]1C(=O)NN=c1cc[nH]cc1 831868194 RRXLZZCYOLZENI-JTQLQIEISA-N 234.259 -0.433 50 20 BBGD COC[C@@H](C)CC(=O)NNc1cnnn1C 857271568 QJMKTPMVWHSISB-ZETCQYMHSA-N 227.268 -0.069 50 20 BBGD CC[C@H](NC(C)=O)C(=O)NN=c1cc[nH]cc1 867284041 DBSJFKKOVGLLRO-JTQLQIEISA-N 236.275 -0.139 50 20 BBGD OCC1(CNCc2cccc(B(O)O)c2)CC1 877078412 OXRZRXNWZBUYNU-UHFFFAOYSA-N 235.092 -0.772 50 20 BBGD C[C@H](O)CN(C)NC(=O)C[C@H]1CCCC(=O)N1 910146458 DRGJJHGMZLQECM-DTWKUNHWSA-N 243.307 -0.611 50 20 BBGD COC(=O)CC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 911502973 OQWPJDGSJMGMSG-RNFRBKRXSA-N 244.247 -0.878 50 20 BBGD NNC(=O)c1c[nH]n2c1nc(=O)c1ccccc12 919694578 YQWAHPXYSJPOOA-UHFFFAOYSA-N 243.226 -0.221 50 20 BBGD CNC(=O)NNC(=O)[C@H](C)c1cnn(C)c1 1318954606 QOAUNOKASQDLQS-ZCFIWIBFSA-N 225.252 -0.516 50 20 BBGD Cn1ccc(NNC(=O)[C@@H]2CCNC(=O)C2)n1 1320978273 ITKQQNOISRSPTF-SSDOTTSWSA-N 237.263 -0.611 50 20 BBGD CNCCC(=O)NNC(=O)[C@H]1CCO[C@@H]1C 1574078915 KMENODPLIGZYJN-SFYZADRCSA-N 229.280 -0.832 50 20 BBGD CC(C)c1cc(C(=O)NNC(=O)CO)nn1C 182765449 RXDQLJPHWPQMRD-UHFFFAOYSA-N 240.263 -0.703 50 20 BBGD CCN1C[C@H](C(=O)NNc2cnccn2)CC1=O 265189170 ROKOJVNXUJMCJX-MRVPVSSYSA-N 249.274 -0.212 50 20 BBGD CC(=O)OC(C)(C)C(=O)NNC(=O)NC1CC1 275203038 AUXSSTFLQZWOLV-UHFFFAOYSA-N 243.263 -0.179 50 20 BBGD CC[C@H](C#N)NC(=O)c1cccc(B(O)O)c1 584937046 PWQLLBIXJOEWJW-SNVBAGLBSA-N 232.048 -0.602 50 20 BBGD CO[C@@H](C)CNC(=O)c1ccc(B(O)O)cc1 584978672 CWWLONVVUFQAEE-QMMMGPOBSA-N 237.064 -0.869 50 20 BBGD COCCCNCc1ccc(B(O)O)cc1 585014187 JOJDYZJIXNDGAD-UHFFFAOYSA-N 223.081 -0.508 50 20 BBGD OB(O)c1cccc(CNCCc2cn[nH]c2)c1 585041557 QVSZKJLPUOWICI-UHFFFAOYSA-N 245.091 -0.578 50 20 BBGD O=C([C@@H](O)c1ccccc1)N1CC[C@H](B(O)O)C1 585066891 SIVUREZHCSJWHD-QWRGUYRKSA-N 249.075 -0.205 50 20 BBGD CCC(=O)NNC(=O)[C@@H](C)N(C)CCOC 732198146 JEAKZMSTGMBCRU-MRVPVSSYSA-N 231.296 -0.490 50 20 BBGD COCC(=O)NN=C(C)c1cnn(C)c1 761817565 FODNRLMFYFZLAZ-UHFFFAOYSA-N 210.237 -0.093 50 20 BBGD CCCNC(=O)NNC(=O)[C@@H]1CCCO1 763556284 JEMCVAMHVDFFSB-ZETCQYMHSA-N 215.253 -0.094 50 20 BBGD CNC(=O)C1(C(=O)NN=c2cc[nH]cc2)CC1 780761079 NCWDQHJOGCUBOJ-UHFFFAOYSA-N 234.259 -0.527 50 20 BBGD CN(NC(=O)[C@@H]1[C@H]2CCCO[C@H]21)C(N)=O 781003478 QKFDIVBYPRKJBD-FSDSQADBSA-N 213.237 -0.547 50 20 BBGD Cc1n[nH]c(C)c1CC(=O)NN(C)C(N)=O 787199477 SBOAMXDPVANPBO-UHFFFAOYSA-N 225.252 -0.389 50 20 BBGD Cn1ncc(C=NNC(=O)N=c2cc[nH]cc2)n1 815002057 KIGOBISXORJUKS-UHFFFAOYSA-N 245.246 -0.212 50 20 BBGD CCC(=O)NNS(=O)(=O)C[C@H](CC)OC 817348807 SJBMORPEJRRBAJ-ZETCQYMHSA-N 238.309 -0.228 50 20 BBGD CC(=O)N(C)CC(=O)NNC(=O)CC1CC1 819117674 CBJZLFWMKUSANM-UHFFFAOYSA-N 227.264 -0.588 50 20 BBGD CO[C@@H](C)CC(=O)NN(C)[C@@H](C)CO 823964838 FANIRHLRCSEBOZ-YUMQZZPRSA-N 204.270 -0.245 50 20 BBGD CC(=O)N[C@H](C(=O)NN(C)[C@H](C)CO)C(C)C 823987481 JGUDMADPTZIIBJ-SCZZXKLOSA-N 245.323 -0.509 50 20 BBGD O=C(Cc1cccnc1)NNC(=O)[C@@H](O)C1CC1 826123603 QSXPIPHNPZMEOD-NSHDSACASA-N 249.270 -0.458 50 20 BBGD CC(C)NC(=O)NNC(=O)[C@@H](C)CC(=O)O 826976365 UNRGKWDSWLPCFG-LURJTMIESA-N 231.252 -0.164 50 20 BBGD O=C(NNC(=O)c1ncon1)C1=CCCC1 832825782 HFRLPLCWESGAEZ-UHFFFAOYSA-N 222.204 -0.059 50 20 BBGD COCCN(C)NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 840453327 NWGHBZQFOXTCGL-RNFRBKRXSA-N 217.225 -0.739 50 20 BBGD CC#CC(=O)NNC(=O)[C@@H]1CCO[C@H]1C 843973575 YSBDVWMQHXQTGV-JGVFFNPUSA-N 210.233 -0.418 50 20 BBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1cnco1 843974364 CDVMGUKDBJPGCQ-RQJHMYQMSA-N 239.231 -0.139 50 20 BBGD C[C@@H](C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C)N(C)C 843980965 YXGHPDHXPAHYOC-DJLDLDEBSA-N 243.307 -0.491 50 20 BBGD CO[C@H](CC(=O)NNC(=O)CO)C(F)(F)F 846636902 SJZQGMVQBOMWGY-SCSAIBSYSA-N 244.169 -0.907 50 20 BBGD CC(=NNC(=O)[C@H]1CCC(=O)N1)[C@H]1CCCO1 863147541 IJGGCHWZHVHJOD-RKDXNWHRSA-N 239.275 -0.064 50 20 BBGD C=CCNC(=S)NNC(=O)CCCCO 864455286 LVNCVCAPBISCJB-UHFFFAOYSA-N 231.321 -0.170 50 20 BBGD N#CSCCCNC(=O)[C@H]1C[C@H]1C(N)=O 908032282 JYLTYAQLNZPYJT-RQJHMYQMSA-N 227.289 -0.172 50 20 BBGD C[C@H](O)CN(C)NC(=O)c1cccn1C 910174247 DHDYAQMIECSSHA-QMMMGPOBSA-N 211.265 -0.018 50 20 BBGD CC(C)C(=O)NNC(=O)[C@@H]1CCOC1 921203137 SIXJJJLTZGSESU-SSDOTTSWSA-N 200.238 -0.174 50 20 BBGD Cc1ncc(C(=O)NNc2cccnn2)c(N)n1 1118777672 DCXNFKIFMXUGFV-UHFFFAOYSA-N 245.246 -0.086 50 20 BBGD N#Cc1cncnc1N1CC[C@@H](B(O)O)C1 1118916871 YRGZPODFBMNXQW-MRVPVSSYSA-N 218.025 -0.599 50 20 BBGD C[C@@H](O)CN(C)NC(=O)CCc1ncc[nH]1 1119643802 GEMJUOLNTBKXFD-MRVPVSSYSA-N 226.280 -0.314 50 20 BBGD O=C1CC[C@H](C(=O)NNC(=O)NC2CC2)CN1 1317991991 QHMNFQWMVAYTIB-LURJTMIESA-N 240.263 -0.995 50 20 BBGD Cn1cc(CC(=O)NNc2ccn(C)n2)cn1 1320950091 XLRCNZPOOMMQFC-UHFFFAOYSA-N 234.263 -0.161 50 20 BBGD CC(=O)NNC(=O)c1cn(C2CC2)nn1 1331261179 HMVNWYNMDLBGFO-UHFFFAOYSA-N 209.209 -0.606 50 20 BBGD O=C(NN=C1CCOC1)c1cccnn1 1349829165 MYSCVDAQURMPGS-UHFFFAOYSA-N 206.205 -0.017 50 20 BBGD C[C@H](CC(=O)O)C(=O)NNC(=O)[C@H]1CCCO1 1592360393 WUPBPTLDZPNFAI-RNFRBKRXSA-N 244.247 -0.576 50 20 BBGD NNC(=O)CCN1C(=O)c2ccccc2C1=O 94290 OTBOUDMZPFTBMQ-UHFFFAOYSA-N 233.227 -0.337 50 20 BBGD CCC(=O)NNC(=O)[C@@H](C)N1CCC(O)CC1 110105073 VUGVGIQCRSSTLU-MRVPVSSYSA-N 243.307 -0.611 50 20 BBGD CC(C)(O)C(=O)NNC(=O)c1ccncc1F 277003735 DGLAZJHJDHQARN-UHFFFAOYSA-N 241.222 -0.247 50 20 BBGD O=C(NCB(O)O)c1ccn(C2CCCC2)n1 585060321 DQXGBJVTKNEVSV-UHFFFAOYSA-N 237.068 -0.260 50 20 BBGD O=C(NCB(O)O)c1cc(F)c(O)c(F)c1 585062797 NNPMASOWIYNVAK-UHFFFAOYSA-N 230.963 -0.588 50 20 BBGD CN1CC[C@@H](C(=O)NN=c2cc[nH]cc2)C1=O 773718767 GBLOARQHFZDHCU-VIFPVBQESA-N 234.259 -0.575 50 20 BBGD C[C@@H]1CN(C2CC2)CC1=NNC(=O)CO 776782734 UURUCLJOTZIPDJ-SSDOTTSWSA-N 211.265 -0.435 50 20 BBGD CC#CC(=O)NNC(=O)c1c[nH]nc1C 801153195 WXRODOFICRVHGF-UHFFFAOYSA-N 206.205 -0.498 50 20 BBGD CO[C@H](C)C(=O)NNC(=O)N=c1cc[nH]cc1 802027044 OKILZYOSRNILIV-SSDOTTSWSA-N 238.247 -0.309 50 20 BBGD CCN(CCO)NC(=O)c1nonc1C 823860574 VTTQFGVZACVVIL-UHFFFAOYSA-N 214.225 -0.663 50 20 BBGD CCN(CCO)NC(=O)c1nn(CC)nc1C 823889395 VEAFGNALQUKOOQ-UHFFFAOYSA-N 241.295 -0.435 50 20 BBGD CNC(=O)NNC(=O)/C=C(\C)COC 845276275 SFNCVUPAOZJNCD-GQCTYLIASA-N 201.226 -0.461 50 20 BBGD CNC(=S)N(C)NC(=O)c1cc[nH]n1 854926249 YBZVCSCVJXHKEP-UHFFFAOYSA-N 213.266 -0.509 50 20 BBGD CC(C)CC(=O)NNC(=O)[C@H]1CCC(=O)N1 902931423 UBYVFHMIMNCQHL-SSDOTTSWSA-N 227.264 -0.542 50 20 BBGD C#CC1(O)CN(S(=O)(=O)CCCCl)C1 908229180 ADFKBWLONKUMOB-UHFFFAOYSA-N 237.708 -0.375 50 20 BBGD C[C@H](O)CN(C)NC(=O)[C@H]1C[C@H]2CC(=O)[C@@H]1C2 910150760 VUZGKCWFEUMOMD-QEYWKRMJSA-N 240.303 -0.055 50 20 BBGD C[C@@H](O)CN(C)NC(=O)[C@H](C)c1cnn(C)c1 910162309 DEUHIOQTZDBKJA-RKDXNWHRSA-N 240.307 -0.133 50 20 BBGD CCNC(=O)CCCC(=O)NN(C)C[C@@H](C)O 910165872 PICUBBKUTFOOMY-SECBINFHSA-N 245.323 -0.363 50 20 BBGD C[C@@H](NNC(=O)CCC(N)=O)C(F)(F)F 1119658576 BHUVJOXCEXOARN-SCSAIBSYSA-N 227.186 -0.177 50 20 BBGD CON=CC(=O)NNC(=O)c1ccccn1 1321485457 LQURESINXQUTJJ-UHFFFAOYSA-N 222.204 -0.525 50 20 BBGD CNC(=O)NNC(=S)NC1CCOCC1 1322404520 PYJWFIOCNRVKTJ-UHFFFAOYSA-N 232.309 -0.527 50 20 BBGD COC(=O)C(=O)NN=C1CCO[C@@H]1C 1322845507 NAUYDCAVSPPDAO-RXMQYKEDSA-N 200.194 -0.560 50 20 BBGD Cc1nnc(CC(=O)NN=c2cc[nH]cc2)o1 1324059808 GBCCTKIZKFEFHQ-UHFFFAOYSA-N 233.231 -0.119 50 20 BBGD Cc1cc(CC(=O)NN=Cc2ncnn2C)n[nH]1 1326204758 VHUZGZHYXQWOJC-UHFFFAOYSA-N 247.262 -0.461 50 20 BBGD Cn1nncc1NNC(=O)c1n[nH]c2c1CCC2 1327872850 ALXKFVDBIBRRSM-UHFFFAOYSA-N 247.262 -0.216 50 20 BBGD COC(=O)NNC(=O)[C@@H]1C[C@H]1c1cncn1C 1331797425 VBWMXUWBNKZARX-RNFRBKRXSA-N 238.247 -0.089 50 20 BBGD O=C(CCO)NNC(=O)N1CCCCCC1 1333586542 FYGACGWRENLPSI-UHFFFAOYSA-N 229.280 -0.014 50 20 BBGD COCCN(C)NC(=O)[C@H](C(=O)O)C1CC1 1593995591 JJNATCMDBBCWEO-MRVPVSSYSA-N 230.264 -0.293 50 20 BBGD CO[C@H](C(=O)O)C(=O)NNc1cc(C)ccn1 1604435848 ZDWTTXJGLKJPBN-QMMMGPOBSA-N 239.231 -0.067 50 20 BBGD O=C(O)C1(NS(=O)(=O)CCl)CC1 1777601051 AFIOKIJALQBOKS-UHFFFAOYSA-N 213.642 -0.281 50 20 BBGD COC(=O)C1(C(=O)NNC(=O)NC2CC2)CC1 274361676 WNPHFFPKJHKARN-UHFFFAOYSA-N 241.247 -0.568 50 20 BBGD COC(=O)NNC(=O)[C@@H]1CCCN(C(C)=O)C1 490596573 PWAVECYMQKGPOH-MRVPVSSYSA-N 243.263 -0.368 50 20 BBGD CCNC(=O)NNC(=O)CCCNC(=O)OC 491266317 SENHRGDORWRKFF-UHFFFAOYSA-N 246.267 -0.527 50 20 BBGD C[C@H](O)CCNCc1ccc(B(O)O)cc1 585049943 MUROQTBOUHSIJC-VIFPVBQESA-N 223.081 -0.773 50 20 BBGD CN(C)[C@H](C(=O)NCB(O)O)c1ccccc1 585059841 CRLQGHHQVACQIZ-JTQLQIEISA-N 236.080 -0.583 50 20 BBGD CCC(=O)NNC(=O)[C@H](C)N1CCO[C@H](C)C1 731849040 RPPWWPRTMVBCFB-BDAKNGLRSA-N 243.307 -0.347 50 20 BBGD CNC(=O)NN=Cc1cnc2ncccn12 755661856 PEOYORLNDANJHX-UHFFFAOYSA-N 218.220 -0.008 50 20 BBGD Cc1nc(C)c(C(=O)NNC(=O)C(C)(C)O)o1 768262862 YWBNIRZSJJHFSN-UHFFFAOYSA-N 241.247 -0.177 50 20 BBGD C[C@H]1C[C@H](C(=O)NNC(=O)C2CC2)CO1 784145976 YFLKJXJWMJWFOA-XPUUQOCRSA-N 212.249 -0.031 50 20 BBGD CC(C)(O)C(=O)NNC(=O)Cc1cccnc1 787953640 LRIVFPQVWKVZIT-UHFFFAOYSA-N 237.259 -0.458 50 20 BBGD O=C(CC1CC1)NNC(=O)CC1OCCO1 819144744 VOOJJFZVVQMPOT-UHFFFAOYSA-N 228.248 -0.303 50 20 BBGD COC(=O)C1(C(=O)NN(C)[C@@H](C)CO)CC1 823934146 CQUQDTVLTGZIMG-ZETCQYMHSA-N 230.264 -0.717 50 20 BBGD CCO/C=C(\C#N)C(=O)NN(C)[C@H](C)CO 823945999 BZDYZVDDDDCLPB-KGOFQHAKSA-N 227.264 -0.226 50 20 BBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)CC(C)(C)O 843971993 SOGVQCPSSZHZIS-YUMQZZPRSA-N 244.291 -0.280 50 20 BBGD NC1(C(=O)NNC(=O)c2ccccc2)CC1 844203306 DYKOHCREETZIGE-UHFFFAOYSA-N 219.244 -0.061 50 20 BBGD CCC(=O)N[C@@H](C)C(=O)NN(C)CCOC 848377515 MXXWRMJAQHZPET-QMMMGPOBSA-N 231.296 -0.490 50 20 BBGD CCNC(=O)N(C)NC(=O)[C@@H](CC)NC(C)=O 867278875 JUICJSPLEMHECP-MRVPVSSYSA-N 244.295 -0.406 50 20 BBGD C[C@H](O)CN(C)NC(=O)[C@@H]1CCCCN1C 910162075 CMQQJFWQOYRVOE-UWVGGRQHSA-N 229.324 -0.186 50 20 BBGD CCOC(=O)CC(=O)NN(C)C[C@@H](C)O 910170936 QMEMKURYRPVXKV-SSDOTTSWSA-N 218.253 -0.717 50 20 BBGD C[C@H](C(=O)NNC(=O)NC1CC1)n1cncn1 1253930541 QDMUZWQHFODAPR-ZCFIWIBFSA-N 238.251 -0.668 50 20 BBGD CC(=O)NNC(=O)[C@@H](C)c1cnn(C)c1 1261253170 RULCEPYLUVLGOK-LURJTMIESA-N 210.237 -0.309 50 20 BBGD CC(C)NC(=O)C(=O)NNC(=S)NC1CC1 1317713038 MPYLPDBVQLUZEP-UHFFFAOYSA-N 244.320 -0.831 50 20 BBGD CC(=O)NNC(=S)NCc1ccon1 1322618410 ZVHHOSDNDYCMGW-UHFFFAOYSA-N 214.250 -0.310 50 20 BBGD C[C@@H](C(=O)NN=c1cc[nH]cc1)[C@@H]1CCC(=O)N1 1328932466 LTNMGFXLTLGFES-SCZZXKLOSA-N 248.286 -0.139 50 20 BBGD CO[C@H](CN)CC(=O)NNc1ncccn1 1349076744 PMBAYBFEXSYBIR-ZETCQYMHSA-N 225.252 -0.717 50 20 BBGD CC(C)NC(=S)NNC(=O)C(C)(C)N 1574067472 UDGSJLQRVRKKNV-UHFFFAOYSA-N 218.326 -0.373 50 20 BBGD C#CCCCC(=O)NNC(=O)[C@H](OC)C(=O)O 1602675428 VPBYLSMFKCARHA-QMMMGPOBSA-N 242.231 -0.963 50 20 BBGD Cn1cc(C(=O)NNC(=O)CC2CC2)ccc1=O 294104244 JIGZXFBGRBOIKH-UHFFFAOYSA-N 249.270 -0.054 50 20 BBGD CC(=NNC(=O)CO)c1cc(C(=O)O)co1 378759137 VBFMZXDQSUAMLX-UHFFFAOYSA-N 226.188 -0.190 50 20 BBGD CC(C)C(=O)NNC(=O)C1(C(=O)O)CC1 380139456 VFTREFYOARTPOV-UHFFFAOYSA-N 214.221 -0.345 50 20 BBGD OB(O)c1ccc(CNC[C@H]2CCCCO2)o1 585021016 NWVXBUYHNPAOHA-SECBINFHSA-N 239.080 -0.382 50 20 BBGD Cc1cc(CNCc2cccc(B(O)O)c2)on1 585033134 YJVNCTNCDHEMKV-UHFFFAOYSA-N 246.075 -0.047 50 20 BBGD CCCc1ncc(C(=O)NCB(O)O)s1 585060211 BUPDXYIGCMRBPZ-UHFFFAOYSA-N 228.082 -0.163 50 20 BBGD CCOC(=O)NNC(=O)C1(C(N)=O)CC1 731596179 XVWXPSSLNSWHJR-UHFFFAOYSA-N 215.209 -0.971 50 20 BBGD CN(C)CC(=O)NNC(=O)C1CCSCC1 733359313 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BBGD CNC(=O)NNC(=O)c1ncc(OC)cn1 1324939184 CNBJEUACCDQNJI-UHFFFAOYSA-N 225.208 -0.941 50 20 BBGD CN(NC(=O)c1ccc(C#N)o1)C(N)=O 1347690554 MBNNVSQVNUQWSB-UHFFFAOYSA-N 208.177 -0.193 50 20 BBGD COCC(=NNC(=O)C(=O)O)C1CCOCC1 1599141275 MHGDAAHVTZMNRM-UHFFFAOYSA-N 244.247 -0.384 50 20 BBGD CNC(=O)NNC(=O)c1cccc(C(N)=O)c1 48950308 VVTOOEPQWRIXJG-UHFFFAOYSA-N 236.231 -0.641 50 20 BBGD NNC(=O)Cn1cccc(C(F)(F)F)c1=O 142990011 OPSGENSRZUEKMX-UHFFFAOYSA-N 235.165 -0.143 50 20 BBGD C[C@H](O)CCCNCc1ccc(B(O)O)cc1 585038688 KHIRRWRXDKELSC-JTQLQIEISA-N 237.108 -0.383 50 20 BBGD COC[C@@H](C)CC(=O)N1CC[C@H](B(O)O)C1 585067986 XNIIWCFFTRRRFJ-IUCAKERBSA-N 229.085 -0.266 50 20 BBGD Nc1ncnc(N2CC[C@@H](B(O)O)C2)c1Cl 585072530 CAQINBFTHSFKGZ-RXMQYKEDSA-N 242.475 -0.235 50 20 BBGD CCNC(=O)NNC(=O)[C@H](C)OCCOC 733953770 NYPVJWDCWQWKLS-ZETCQYMHSA-N 233.268 -0.612 50 20 BBGD CCOC(=O)NNC(=O)[C@@H]1C[C@@H]1C(=O)O 737146852 RBEZNOAPVAWOKZ-UHNVWZDZSA-N 216.193 -0.516 50 20 BBGD CN(C)CC(=O)NNC(=O)CC[C@H]1CCOC1 751388729 FBCJVIMTONVOCS-VIFPVBQESA-N 243.307 -0.488 50 20 BBGD C[C@H]1CN(C2CC2)CC1=NNC(=O)C(N)=O 755872086 NYTFBUDQBPJZID-LURJTMIESA-N 224.264 -0.942 50 20 BBGD CC(C)n1cc(NC(=O)NNC(=O)CO)cn1 756829261 FMFXIRSCIIMIMA-UHFFFAOYSA-N 241.251 -0.391 50 20 BBGD CCC(=O)NNC(=O)[C@@H](C)N(C)C[C@H](C)O 764280414 VPSGZXXSRDHFLC-JGVFFNPUSA-N 231.296 -0.755 50 20 BBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)N(C)C 770719932 OKCIQYMQLHOOPR-RNFRBKRXSA-N 215.253 -0.286 50 20 BBGD C[C@@H]1C[C@H](C(=O)NNC(=O)N(C)C)CO1 784148839 AQGDAELNKFWPJG-RQJHMYQMSA-N 215.253 -0.286 50 20 BBGD NC(=O)CCCC(=O)NNC(=O)C1CCC1 787347067 TUIYYWLZTWUMTF-UHFFFAOYSA-N 227.264 -0.411 50 20 BBGD CCN(CCO)NC(=O)c1cc(OC)n(C)n1 823873748 HWLIXFKFPRYCRG-UHFFFAOYSA-N 242.279 -0.612 50 20 BBGD C[C@@H](CO)N(C)NC(=O)CN1CCCCC1=O 823976520 FTIJQBXSOAMKHP-VIFPVBQESA-N 243.307 -0.657 50 20 BBGD COC(=O)CC(=O)NNC(=O)C1CC1 824132696 HOVSWGFZTSRMOB-UHFFFAOYSA-N 200.194 -0.893 50 20 BBGD CCNC(=O)N(C)NC(=O)CCCNC 831944802 HPWVGFNEVDJMCU-UHFFFAOYSA-N 216.285 -0.322 50 20 BBGD C[C@H]1CC(=NNC(=O)C(=O)NC2CC2)CO1 842525962 YXJHYKDHNFUEAL-LURJTMIESA-N 225.248 -0.454 50 20 BBGD CNC(=S)N(C)NC(=O)C1(N(C)C)CC1 854927932 UIHUYOKWOXURIQ-UHFFFAOYSA-N 230.337 -0.452 50 20 BBGD CCC/C=C\C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862449681 IZPAHLWSGKSHPD-LGYSABEFSA-N 239.275 -0.231 50 20 BBGD CN(NC(=O)c1ccc(C(N)=O)cc1)C(N)=O 1116451207 SGBPXAXMPHPETH-UHFFFAOYSA-N 236.231 -0.559 50 20 BBGD CCNC(=O)NNC(=O)[C@@]1(C)CC(C)=NO1 1120681725 PIYIZJRXPSRCPJ-SECBINFHSA-N 228.252 -0.108 50 20 BBGD N#CC1=CCN(C(=O)[C@H]2CCC(=O)N2)CC1 1319758804 SXYJADVLVUQGFK-SECBINFHSA-N 219.244 -0.053 50 20 BBGD CNC(=O)NNC(=O)C[C@@H]1CCC(=O)[C@H]1C 1324974783 DMWZYNDAEYCPPG-BQBZGAKWSA-N 227.264 -0.048 50 20 BBGD NC(=O)CCCC(=O)NNc1ncncc1F 1325042202 OLXLQRUENFEZOS-UHFFFAOYSA-N 241.226 -0.286 50 20 BBGD COC(OC)C(=O)NNc1ncccn1 1335964198 YOQMONNUOOTSGS-UHFFFAOYSA-N 212.209 -0.461 50 20 BBGD COCC(=NNC(=O)C(=O)O)C(C)C 1599140899 GYCKVSXDBXCVCP-UHFFFAOYSA-N 202.210 -0.154 50 20 BBGD CN(C)CC(=O)NNC(=O)[C@H]1C[C@H]1C1CC1 176131311 TVEAZAJGOKIVHS-IUCAKERBSA-N 225.292 -0.259 50 20 BBGD Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)NN 181279842 YUUXVQRBPSEWPC-UHFFFAOYSA-N 235.247 -0.828 50 20 BBGD O=C(NNC(=O)C1CC1)c1ccncn1 275101283 KVFYBGYRWUHWAN-UHFFFAOYSA-N 206.205 -0.352 50 20 BBGD CNC(=O)NN=Cc1c(Cl)[nH]c(=N)n1C 382007136 BMFCVRGTZVIWSV-UHFFFAOYSA-N 230.659 -0.251 50 20 BBGD O=C(NCC(F)(F)F)c1cccc(B(O)O)c1 382639448 LHWIKYPWNFNLJJ-UHFFFAOYSA-N 246.981 -0.342 50 20 BBGD CCCN1C[C@@H](C(=O)NNC(=O)OC)CC1=O 496769645 GJPOAGGFECNJJE-ZETCQYMHSA-N 243.263 -0.368 50 20 BBGD C[C@@H]1C[C@H](NCc2cccc(B(O)O)c2)CO1 585047812 GZOJDGISLQVDLI-SKDRFNHKSA-N 235.092 -0.367 50 20 BBGD C[C@H]1C[C@H]1C(=O)NNC(=O)c1cn[nH]c1 730592403 LTRZQVSDKHTFAZ-CAHLUQPWSA-N 208.221 -0.173 50 20 BBGD Cc1c(C(=O)NNC(=O)c2ccc[nH]2)nnn1C 741663949 ZAQCIYKWFFVNGJ-UHFFFAOYSA-N 248.246 -0.474 50 20 BBGD O=C(NNC(=O)N1CCOCC1)c1cn[nH]c1 745986117 KLLHRQMWGYYKFT-UHFFFAOYSA-N 239.235 -0.904 50 20 BBGD O=C(CC(F)(F)F)NNC(=O)c1nc[nH]n1 781420030 ZJRDZVAZQVWDNC-UHFFFAOYSA-N 237.141 -0.482 50 20 BBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@H]1CCOC1 792625849 HIIGYXMADLIBFN-CIUDSAMLSA-N 242.275 -0.405 50 20 BBGD CCOC(=O)/C(C#N)=C\NCC(=O)NCC#N 794736951 TXWGIUJCLHKNKN-VURMDHGXSA-N 236.231 -0.814 50 20 BBGD CC(=NNC(=O)C(=O)NC(C)C)c1cc[nH]n1 814776928 LSWULVNDNMIIGM-UHFFFAOYSA-N 237.263 -0.226 50 20 BBGD CCN(CCO)NC(=O)C1(COC)CC1 823873598 DNRZIBQTWZXHFT-UHFFFAOYSA-N 216.281 -0.242 50 20 BBGD CCC(=O)NN=C(C)c1cn(CC(=O)O)nn1 828570427 DPLLRFAVCLBQAO-UHFFFAOYSA-N 239.235 -0.387 50 20 BBGD COc1cc(C)nc(NNC(=O)NCCN)n1 841921546 QPDIZPYMWHFTDH-UHFFFAOYSA-N 240.267 -0.622 50 20 BBGD CON=CC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 843970516 HJTUKFCAVMWJQS-RNFRBKRXSA-N 229.236 -0.809 50 20 BBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1ncc[nH]1 855005130 CCFWJVJZDASWGH-NKWVEPMBSA-N 238.247 -0.404 50 20 BBGD COCC(=NNC(=O)[C@H]1CCC(=O)N1)C1CC1 863148746 JOSBAGKNNNTFFV-MRVPVSSYSA-N 239.275 -0.206 50 20 BBGD COC(=O)CCCOc1ccc(B(O)O)cc1 863865734 KGNCBUUESCEXJE-UHFFFAOYSA-N 238.048 -0.302 50 20 BBGD COC/C=C/C(=O)NNC(=O)c1cccn1C 864594732 YYSAYLSQRQHRJK-GQCTYLIASA-N 237.259 -0.011 50 20 BBGD COC(=O)N(C)NC(=O)[C@@H]1CCCNC1=O 868240999 MOWUPMQWAYTARM-ZCFIWIBFSA-N 229.236 -0.758 50 20 BBGD CN1C(=O)CCC[C@H]1C(=O)NN=c1cc[nH]cc1 907257928 UKZFFQWLBMIVQS-JTQLQIEISA-N 248.286 -0.043 50 20 BBGD C#CCO[C@H](C)C(=O)NN(C)C[C@@H](C)O 910144559 KPXOPTURADPDLV-RKDXNWHRSA-N 214.265 -0.632 50 20 BBGD CC(C)C(=O)NNC(=S)NCC(=O)N(C)C 918717185 MYKXVTKVHFERHW-UHFFFAOYSA-N 246.336 -0.774 50 20 BBGD N#CCCCS(=O)(=O)N1CC[C@H](B(O)O)C1 1118916853 XSRGZMZBGBAFSX-QMMMGPOBSA-N 246.097 -0.831 50 20 BBGD C[C@H](CO)N(C)NC(=O)c1csc(O)n1 1119048043 RQRGLLWOBWWWIQ-RXMQYKEDSA-N 231.277 -0.194 50 20 BBGD NC(=O)C1(C(=O)NNc2cccnn2)CCC1 1325272755 YJDKEJGXRKMEMA-UHFFFAOYSA-N 235.247 -0.425 50 20 BBGD Cc1nn[nH]c1C(=O)NNC(=O)c1ccc[nH]1 1326735622 XHCJMYZRMFKQJM-UHFFFAOYSA-N 234.219 -0.484 50 20 BBGD CN(N)C(=O)[C@@H]1CNC(=O)c2ccccc21 1573877195 HQDRPDUWOQCDMM-SECBINFHSA-N 219.244 -0.154 50 20 BBGD CC(C)NC(=O)NNC(=O)[C@H]1C[C@@H](N)[C@@H]2C[C@H]12 1575709590 QUECVQLJLYVEEJ-UYXSQOIJSA-N 240.307 -0.292 50 20 BBGD COCCC1(C(=O)NNC(=O)CCCN)CC1 1579005272 HJFLQHLFNBJMLF-UHFFFAOYSA-N 243.307 -0.311 50 20 BBGD CC1(C=NNC(=O)NCC(=O)O)COC1 1593996495 WYCGAWQRORFNOX-UHFFFAOYSA-N 215.209 -0.608 50 20 BBGD CN(C)CC(=O)NNC(=O)[C@H]1C[C@@H]1C1CC1 176131282 TVEAZAJGOKIVHS-BDAKNGLRSA-N 225.292 -0.259 50 20 BBGD COC(=O)NCC(=O)NNc1ccncc1 180516857 MGVBIXAYVLHAFJ-UHFFFAOYSA-N 224.220 -0.119 50 20 BBGD CCO/C=C\C(=O)NNC(=O)C(=O)NC(C)C 493069265 GQMXCXLTDDHRJX-WAYWQWQTSA-N 243.263 -0.791 50 20 BBGD O=C(N[C@@H]1CC[C@H]2C[C@@H]21)c1cccc(B(O)O)c1 584986546 ZOAAMVLMBIWGSK-KPXOXKRLSA-N 245.087 -0.105 50 20 BBGD COC[C@@H](C)NCc1ccc(B(O)O)cc1F 585032017 OFWNACWXJMUTGE-MRVPVSSYSA-N 241.071 -0.370 50 20 BBGD C=CCOCC(=O)NNC(=O)NC1CC1 729343454 TVCMELYPBMUYJQ-UHFFFAOYSA-N 213.237 -0.318 50 20 BBGD C[C@H](C#N)C(=O)NNC(=O)c1ccc[nH]1 736667780 QQBJAGCKFQVYRF-ZCFIWIBFSA-N 206.205 -0.065 50 20 BBGD Cc1nnsc1C(=O)NNC(=O)CN(C)C 787995919 QMPFHKFGWFFIJS-UHFFFAOYSA-N 243.292 -0.831 50 20 BBGD NC(=O)NN=Cc1ccc(S(N)(=O)=O)cc1 811629285 WRPZHRVYBQLJEL-UHFFFAOYSA-N 242.260 -0.664 50 20 BBGD NC(=O)NN=Cc1cc(CO)ccc1O 814686587 PXACVMACHSBVQU-UHFFFAOYSA-N 209.205 -0.113 50 20 BBGD CC[C@H](C(=O)NNc1cnnn1C)C(=O)OC 816771997 JGMOOIOFRVYBEQ-ZCFIWIBFSA-N 241.251 -0.543 50 20 BBGD CCn1cc(C(=O)NNC(=O)CC2CC2)nn1 820757105 BBBCKRKMUNFWLB-UHFFFAOYSA-N 237.263 -0.141 50 20 BBGD CCN(CCO)NC(=O)COCCCOC 823874396 SNVLVCVGOOXRNE-UHFFFAOYSA-N 234.296 -0.615 50 20 BBGD C[C@@H](CO)N(C)NC(=O)CC(C)(C)O 823927821 GYFVCXCOOCNJIH-ZETCQYMHSA-N 204.270 -0.509 50 20 BBGD CCO/C=C(\C#N)C(=O)NCC(=O)NOCC 846494109 MNWLGURPNGCYPP-BQYQJAHWSA-N 241.247 -0.386 50 20 BBGD CC[C@@H](C(=O)NNC(=O)c1cn[nH]c1)[C@@H](C)O 863934616 FRMKDKIKALXHAZ-HTRCEHHLSA-N 240.263 -0.422 50 20 BBGD CCOC(=O)NNC(=O)[C@H]1C[C@@H](O)C1 873741822 HCSNRLBBFXXXLH-OLQVQODUSA-N 202.210 -0.465 50 20 BBGD CCN1CCC[C@H]1CNC(=S)NNC(C)=O 884004201 LTOSTNCHVCTGQY-VIFPVBQESA-N 244.364 -0.014 50 20 BBGD CCn1[nH]nnc1=NC(=O)NN(C)C1CC1 888322664 KFUQYQLDMANQPJ-UHFFFAOYSA-N 225.256 -0.754 50 20 BBGD CN(C)CC1(C(=O)N2CC[C@@H](B(O)O)C2)CC1 902552403 KMOQOCMRVNLDHT-SECBINFHSA-N 240.112 -0.597 50 20 BBGD C[C@H](O)CN(C)NC(=O)c1cc2n(n1)CCC2 910146113 XYKFQBIREOPGPK-QMMMGPOBSA-N 238.291 -0.213 50 20 BBGD CC(C)(C)C(=O)NNC(=O)CCn1cncn1 918584572 UIJGCQULXOVRTA-UHFFFAOYSA-N 239.279 -0.138 50 20 BBGD O=C(c1cccnc1)N1CC[C@H](B(O)O)C1 1118973952 DJZANGVLGAPLOT-VIFPVBQESA-N 220.037 -0.230 50 20 BBGD COCC1(C(=O)NN(C)C(N)=O)CCOCC1 1261205219 SZYOWWYFLBNIRQ-UHFFFAOYSA-N 245.279 -0.529 50 20 BBGD O=C(Cn1cncn1)NNC(=O)C1CCC1 1322711135 MNLMIZLTTWXXRG-UHFFFAOYSA-N 223.236 -0.774 50 20 BBGD Cn1cc([C@H](O)C(=O)NNC(=O)C2CC2)cn1 1325290347 JMFHSPPQJFGIIN-QMMMGPOBSA-N 238.247 -0.989 50 20 BBGD Cn1cc(CC(=O)NNc2ccncn2)cn1 1329043710 JYHVQMUDPXMERP-UHFFFAOYSA-N 232.247 -0.104 50 20 BBGD CCn1nncc1C(=O)NN(C)C(=S)NC 1331202788 DODMBNCZSIXRRO-UHFFFAOYSA-N 242.308 -0.621 50 20 BBGD CCC(=NNC(=O)C(N)=O)c1cn[nH]c1 1345138067 IFZRUGQALDNLCF-UHFFFAOYSA-N 209.209 -0.875 50 20 BBGD CC1=NO[C@](C)(C(=O)NN(C)[C@@H](C)CO)C1 1358320014 IAFPRWLJQMMACE-WPRPVWTQSA-N 229.280 -0.115 50 20 BBGD COc1cc(C)nc(NNC(=O)C2(N)CC2)n1 237304110 ZGOOHRRGIRJHIV-UHFFFAOYSA-N 237.263 -0.272 50 20 BBGD CC(C)[C@@H](O)C(=O)NNC(=O)N(C)C 285109121 HVOVYUJORPEUMI-ZCFIWIBFSA-N 203.242 -0.694 50 20 BBGD CC(C)(C)OC(=O)[C@H](Cl)C(=O)NN 514277684 MIXHPYOCJJSLFM-SCSAIBSYSA-N 208.645 -0.075 50 20 BBGD CCO[C@@H]1C[C@@H]1NC(=O)c1ccc(B(O)O)cc1 584983647 YNFMGPWKHRPQQU-WDEREUQCSA-N 249.075 -0.726 50 20 BBGD OB(O)c1ccccc1CNC[C@@H]1CCCO1 585014673 YSSXSYCWYZVPCM-NSHDSACASA-N 235.092 -0.365 50 20 BBGD CC[C@@H](C)C(=O)NNS(=O)(=O)c1cnc[nH]1 736539296 ILVIATUNLXECNE-ZCFIWIBFSA-N 246.292 -0.235 50 20 BBGD C[C@@H]1C[C@@H]1C(=O)NNC(=O)c1ncccn1 743339319 LLUPQWPBOHJPIO-RQJHMYQMSA-N 220.232 -0.106 50 20 BBGD CC(C)NC(=O)C(=O)NN=Cc1ccn(C)c1 749859275 OHWKAAGSQDPOJP-UHFFFAOYSA-N 236.275 0.000 50 20 BBGD C[C@]1(C=NNC(=O)C(N)=O)CCCS1 792882338 FFKBRDCWTSCAEK-MRVPVSSYSA-N 215.278 -0.141 50 20 BBGD O=C1CCC[C@H](C(=O)NNC(=O)C2CCC2)N1 799626942 KOIBZGCAHRYKCF-MRVPVSSYSA-N 239.275 -0.397 50 20 BBGD C[C@@H](CO)N(C)NC(=O)CC1OCCO1 823935922 YEGRRSPCPVYRTO-ZETCQYMHSA-N 218.253 -0.907 50 20 BBGD CC[C@H]1CCC[C@H]1C(=O)NNC(=O)CO 827893312 AXPCYZJBUHTPKO-JGVFFNPUSA-N 214.265 -0.048 50 20 BBGD C=C[C@@H](NNC(=O)[C@@H]1CCCCO1)C(=O)OC 842150288 CJQJXCPGCFMSCU-BDAKNGLRSA-N 242.275 -0.096 50 20 BBGD COC/C=C/C(=O)NNC(=O)NC1CC1 865014720 LRNSPXMTWQPXAW-NSCUHMNNSA-N 213.237 -0.318 50 20 BBGD CCc1cc(C(=O)NN(C)C[C@H](C)O)n(C)n1 910181671 DHGOUWXJKVBAPA-QMMMGPOBSA-N 240.307 -0.060 50 20 BBGD COC[C@@H]1COCCN1S(=O)(=O)CCl 922057492 IQAUFQUAFVZECQ-SSDOTTSWSA-N 243.712 -0.140 50 20 BBGD Cn1ccc(NNC(=O)c2cnccn2)n1 1322273208 JGTFVPDUASWBJA-UHFFFAOYSA-N 218.220 -0.033 50 20 BBGD Cn1ncc(C=NNC(=O)Cc2cc[nH]n2)c1N 1324258836 QNZSMEUCJCPPCK-UHFFFAOYSA-N 247.262 -0.582 50 20 BBGD CCO/C=C(\C#N)C(=O)N[C@H]1CCOC1=O 1329967837 ZOAFYNRJVXHRGC-CZEYKFRCSA-N 224.216 -0.138 50 20 BBGD COCCC(=O)NNc1ccc(C(N)=O)nn1 1340250304 QGZAMACGRLETND-UHFFFAOYSA-N 239.235 -0.945 50 20 BBGD N#CC1=CCN(C(=O)[C@H]2CC(C(=O)O)=NO2)CC1 1574481146 VLOGJVCBBIPOJQ-SECBINFHSA-N 249.226 -0.102 50 20 BBGD CCO/C=C(\C#N)C(=O)NCCOCC(=O)O 1596864262 RPHOYVBEOSIHLL-SOFGYWHQSA-N 242.231 -0.352 50 20 BBGD Cc1cccnc1C(=O)NNC(=O)CC(=O)O 1600590464 ZGCFVJCWSLNOIG-UHFFFAOYSA-N 237.215 -0.374 50 20 BBGD C[C@@H]1OCC[C@@]1(O)CNS(=O)(=O)CCl 227191606 XNBIKXRHCHPGTL-NKWVEPMBSA-N 243.712 -0.358 50 20 BBGD COC[C@@H](CO)NS(=O)(=O)CCl 229357831 ZIPMNUZGDLEVTL-RXMQYKEDSA-N 217.674 -0.891 50 20 BBGD CCOC(=O)NCC(=O)NNC(=O)NC1CC1 280651497 SBONSZIEVZDKTK-UHFFFAOYSA-N 244.251 -0.775 50 20 BBGD O=C(CO)NN=Cc1cccc(C(=O)O)c1 378700237 NAQDFKYSJQXYFJ-UHFFFAOYSA-N 222.200 -0.173 50 20 BBGD CC(C)C(=O)NNS(=O)(=O)C1CC1 388627648 HNZKGRGLWMTSHK-UHFFFAOYSA-N 206.267 -0.245 50 20 BBGD CCOC(=O)NNC(=O)[C@@H]1CCNC(=O)C1 493284670 KAAWWUMWHLMBEP-ZCFIWIBFSA-N 229.236 -0.710 50 20 BBGD Cc1ccc(CC(=O)NCB(O)O)cc1C 585058972 VTKYWUSDHJNRON-UHFFFAOYSA-N 221.065 -0.026 50 20 BBGD O=C(O)CCCNC(=O)NNC(=O)C1CCC1 738576658 UBWNJRLGUGGFSZ-UHFFFAOYSA-N 243.263 -0.018 50 20 BBGD CC(C)NC(=O)C(=O)NN=Cc1cccn1C 744818552 ZBPCMLROJSJTRQ-UHFFFAOYSA-N 236.275 0.000 50 20 BBGD CCCNC(=O)NN=Cc1cnnn1C 751132643 GPTJKDVBPFTRHX-UHFFFAOYSA-N 210.241 -0.142 50 20 BBGD O=C(NNC(=O)C1(O)CCCC1)NC1CC1 754988613 OTSOYBCEUIVMBT-UHFFFAOYSA-N 227.264 -0.216 50 20 BBGD CS/C=C/C(=O)NNC(=O)Cc1cc[nH]n1 755277218 POMWDBDTARJRSZ-HWKANZROSA-N 240.288 -0.024 50 20 BBGD Cc1cc(C=NNC(=O)C(N)=O)cc(Cl)n1 788697615 FKKQJGNETANRHZ-UHFFFAOYSA-N 240.650 -0.021 50 20 BBGD C=C[C@@](C)(O)CC(=O)NN(C)C(N)=O 798302086 MYTBFJUPWSIYJI-MRVPVSSYSA-N 201.226 -0.645 50 20 BBGD C[C@]1(C(=O)NNC(=O)CC2CC2)CCNC1=O 823203156 RGHKAXWBYDCKMS-NSHDSACASA-N 239.275 -0.540 50 20 BBGD CNC(=O)C1(C(=O)NN(C)[C@@H](C)CO)CCC1 823959213 DJOCGBXFYXIWTI-QMMMGPOBSA-N 243.307 -0.754 50 20 BBGD CCNC(=O)N(C)NC(=O)[C@H]1C[C@@H](N)C1 843492202 AYHKCIRUFTTZDX-KNVOCYPGSA-N 214.269 -0.584 50 20 BBGD CCO[C@@H](CC)C(=O)NNC(=O)c1cn[nH]c1 862475118 ZHKGZGZGRPYIEK-QMMMGPOBSA-N 240.263 -0.014 50 20 BBGD CN(NC(=O)CNC(=O)N1CCCC1)C1CC1 911295368 JRGKYWJKXUWSNH-UHFFFAOYSA-N 240.307 -0.083 50 20 BBGD Cn1cnc(/C=C/C(=O)NNC(=O)NC2CC2)c1 930720412 CNJUTJPXISXWEX-SNAWJCMRSA-N 249.274 -0.074 50 20 BBGD CC(F)(F)C(=O)N1CC[C@H](B(O)O)C1 1118976713 ZFNABHAUBSXZNM-YFKPBYRVSA-N 206.985 -0.283 50 20 BBGD COc1ccc(C=NNC(=O)C(N)=O)cc1O 1318442899 ZICFZBSTKRTNKL-UHFFFAOYSA-N 237.215 -0.664 50 20 BBGD Cc1ncc(C(=O)NN(C)C(N)=O)c(C)n1 1320841823 DZVZHOPWIJICSP-UHFFFAOYSA-N 223.236 -0.251 50 20 BBGD O=C(NNc1ncccn1)[C@@H]1NC[C@@H]2C[C@@H]21 1329704649 WIUNVNVOBQPODQ-BIIVOSGPSA-N 219.248 -0.472 50 20 BBGD O=C(C[C@@H]1CCC(=O)N1)NNc1ccncn1 1331205213 JADKQSXXYUBPRT-ZETCQYMHSA-N 235.247 -0.412 50 20 BBGD Cc1cccc(NCCNC(=O)NN)n1 1335658268 AJWABSKNMHVMFD-UHFFFAOYSA-N 209.253 -0.025 50 20 BBGD Cn1ccnc(NNC(=O)CCCC#N)c1=O 1343629307 GZPCTHFTNIAZRP-UHFFFAOYSA-N 235.247 -0.083 50 20 BBGD C[C@@H](N)C(=O)NNC(=O)Cc1ccccn1 1574084414 BXEPZBNSDMTKNE-SSDOTTSWSA-N 222.248 -0.881 50 20 BBGD CCc1nnsc1C(=O)NNC(=O)NC 48949666 HOSWCPWELZMSLX-UHFFFAOYSA-N 229.265 -0.326 50 20 BBGD CCCNC(=O)NNC(=O)COCC 68932677 MJUGLLSUECKGAG-UHFFFAOYSA-N 203.242 -0.237 50 20 BBGD C[C@H]1COCCN1C(=O)c1ccc(B(O)O)cc1 584931430 VDJQTSKRJHEAKV-VIFPVBQESA-N 249.075 -0.773 50 20 BBGD C[C@H](NCc1cccc(B(O)O)c1)C1(CO)CC1 585046900 CXKCYLDWGIIZCG-JTQLQIEISA-N 249.119 -0.383 50 20 BBGD O=C(NCB(O)O)c1ccc2cc[nH]c2n1 585063039 RDTJTWDHVUXTOL-UHFFFAOYSA-N 219.009 -0.695 50 20 BBGD Nc1nc(Cl)cc(N2CC[C@@H](B(O)O)C2)n1 585073871 PHAZSXLAHOHYBN-RXMQYKEDSA-N 242.475 -0.235 50 20 BBGD CCOCC(=O)NNC(=O)N[C@H]1CCSC1 745899619 UISCTLNOTMPZCT-ZETCQYMHSA-N 247.320 -0.141 50 20 BBGD Cc1noc(C)c1C(=O)NNC(=O)C(C)(C)O 787947056 HUAHBMZOULFIDH-UHFFFAOYSA-N 241.247 -0.177 50 20 BBGD C[C@@H](CO)N(C)NC(=O)C(C)(C)CO 823934595 ICAPSJORWQGRBD-ZETCQYMHSA-N 204.270 -0.651 50 20 BBGD C#C[C@H](CC)NC(=O)NNC(=O)c1cn[nH]c1 858395888 RZYVUKGOFMXKPG-MRVPVSSYSA-N 235.247 -0.235 50 20 BBGD CC(C)[C@@H](F)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862462174 VGYKQJVYVGOCPR-POYBYMJQSA-N 245.254 -0.594 50 20 BBGD O=C(NNc1nc[nH]n1)[C@H]1[C@@H]2CCC(=O)[C@@H]12 899126853 HDBKMJKFDJTFLV-PIYBLCFFSA-N 221.220 -0.527 50 20 BBGD CC[C@](C)(O)C(=O)NNC(=O)N1CCOCC1 931113550 FYNKVPZLVPLBEE-JTQLQIEISA-N 245.279 -0.780 50 20 BBGD O=C(NNc1cccnn1)[C@@H]1COCCO1 1320340146 VDMDGFNSPBVFEF-ZETCQYMHSA-N 224.220 -0.665 50 20 BBGD CCO/C=C(/C#N)C(=O)N[C@H](C)C(N)=O 1320554974 LEVBHBQLGLKVDQ-XOQWBGJWSA-N 211.221 -0.580 50 20 BBGD C[C@H](C(=O)NNC(=O)N(C)C)n1ccnc1 1337966981 KWCTZRCIIVFDSW-SSDOTTSWSA-N 225.252 -0.254 50 20 BBGD CNC(=O)NNC(=O)c1ccnc(C)c1 1339491932 YGOOICAZINNRNY-UHFFFAOYSA-N 208.221 -0.036 50 20 BBGD CCO/C=C(\C#N)C(=O)NCCOCCCN 1578099433 DSKZJPGMCRYSOC-MDZDMXLPSA-N 241.291 -0.088 50 20 BBGD C[C@H]1CC[C@H]1NC(=O)NNC(=O)C(=O)O 1594333204 UNMNEOFJSUIDSX-CRCLSJGQSA-N 215.209 -0.800 50 20 BBGD CCC(F)(F)CNC(=O)NNC(=O)C(=O)O 1605064729 AYPPXKKXWNHRHO-UHFFFAOYSA-N 239.178 -0.553 50 20 BBGD Cn1cc(C(=O)NNC(=O)C2(C)CC2)cn1 156396900 OZWHHOYOAMCKDT-UHFFFAOYSA-N 222.248 -0.019 50 20 BBGD COC(=O)NNC(=O)c1ccc(C#N)[nH]1 495325902 CJXWSMNIZVDRRB-UHFFFAOYSA-N 208.177 -0.113 50 20 BBGD C[C@H]1OC(=O)N[C@@H]1C(=O)NNC(=O)C1CC1 496895139 XXAKSEOZKPSGOG-XINAWCOVSA-N 227.220 -0.959 50 20 BBGD CCO[C@@H]1C[C@H]1NCc1ccc(B(O)O)cc1 585039891 ZKEPJHMXVUTTOO-VXGBXAGGSA-N 235.092 -0.367 50 20 BBGD O=C(NCB(O)O)c1ncn(-c2ccccc2)n1 585063398 YOFTVFOJNWNIJP-UHFFFAOYSA-N 246.035 -0.991 50 20 BBGD CCNC(=O)NNC(=O)c1cccn1C 726875236 RLYIKQQWELHEGP-UHFFFAOYSA-N 210.237 -0.011 50 20 BBGD CC(=O)NNC(=O)c1cnc2nccnc2c1 759356193 KQMXIOOIZGTTHY-UHFFFAOYSA-N 231.215 -0.194 50 20 BBGD COCCCn1cc(C(=O)NNC(C)=O)cn1 858108778 GOZMMDAKTJBQMK-UHFFFAOYSA-N 240.263 -0.300 50 20 BBGD COC(=O)N(C)NC(=O)[C@H](C)[C@@H]1CCC(=O)N1 861656179 BZUKORUXXJGEPJ-RQJHMYQMSA-N 243.263 -0.370 50 20 BBGD COCCOCC(=O)NN=C1CN(C)C[C@H]1C 872401574 AISCIRIXCGKJDL-SECBINFHSA-N 243.307 -0.297 50 20 BBGD COC(=O)N[C@@H](C)C(=O)NN(C)C[C@H](C)O 910156781 YCYWSQJMZSWWKC-BQBZGAKWSA-N 233.268 -0.925 50 20 BBGD COC(=O)c1ccc(C(=O)NNC(C)=O)cn1 914881654 JIQSWRUNNLSLJB-UHFFFAOYSA-N 237.215 -0.351 50 20 BBGD CC(C)CC(=O)NNC(=O)N[C@H]1CCOC1=O 1123605575 HVPQWAQXUQFOKB-ZETCQYMHSA-N 243.263 -0.322 50 20 BBGD CCO/C=C(\C#N)C(=O)NCCS(C)(=O)=O 1253374180 GJIWZIUVJIZSLG-BQYQJAHWSA-N 246.288 -0.409 50 20 BBGD C[C@H](O)CN(C)NC(=O)CCc1cnccn1 1262177764 GVGPWMYVGUJCSR-VIFPVBQESA-N 238.291 -0.247 50 20 BBGD CC(Cn1cncn1)=NNC(=O)c1cnn(C)c1 1327649765 VYSAKHZRVNOVAM-UHFFFAOYSA-N 247.262 -0.183 50 20 BBGD O=C(Cc1cncs1)N1CC[C@@H](B(O)O)C1 1331826689 LEWICQNNAKWOPU-SSDOTTSWSA-N 240.093 -0.239 50 20 BBGD CS(=O)(=O)CCC(=O)NNc1ccccn1 1337326120 ASDTYBABJKLSHT-UHFFFAOYSA-N 243.288 -0.041 50 20 BBGD C[C@H](O)C(=O)NNc1cc(Cl)nc(N)n1 274909142 IKWDRVALCJFXOI-VKHMYHEASA-N 231.643 -0.464 50 20 BBGD C[C@@H](OCc1ccccc1)C(=O)NCB(O)O 585061617 BHAWNNDCGKCFNQ-SECBINFHSA-N 237.064 -0.280 50 20 BBGD Cc1c(C(=O)NCB(O)O)cnn1C(C)(C)C 585063123 ZGVCKRGDJHBSMQ-UHFFFAOYSA-N 239.084 -0.312 50 20 BBGD O=S(=O)(CCl)N[C@@H]1CCOC[C@H]1O 706727197 LWNBKCAJXPUWQH-PHDIDXHHSA-N 229.685 -0.748 50 20 BBGD O=S(=O)(CCl)N[C@@H]1COCC[C@H]1O 710956500 VWSPARFBWDOEFS-PHDIDXHHSA-N 229.685 -0.748 50 20 BBGD O=C(O)CSCC(=O)NNc1cnccn1 740485498 SHAXZYYADPBKFE-UHFFFAOYSA-N 242.260 -0.263 50 20 BBGD CCS(=O)(=O)CC(=O)NNc1ccccn1 777473040 VBTQRYQALBZJLK-UHFFFAOYSA-N 243.288 -0.041 50 20 BBGD O=C(CC1OCCO1)NNc1cnccn1 793850159 FCQRKMXFJUGIAX-UHFFFAOYSA-N 224.220 -0.317 50 20 BBGD O=C(CO)NNC(=O)[C@H]1CCCSC1 810919281 YELMPDSBJJFTSM-LURJTMIESA-N 218.278 -0.731 50 20 BBGD CCc1c(C(=O)NNC(=O)CO)ccn1C 810919307 ZELDDRCMYGGMDO-UHFFFAOYSA-N 225.248 -0.659 50 20 BBGD CNC(=O)NNC(=O)[C@H](F)C(F)(F)F 815101312 UVLGTRSCKCCRCZ-REOHCLBHSA-N 217.122 -0.153 50 20 BBGD C=C(C)CONC(=O)NNC(=O)COCC 845595769 PIRYVQHHMUJQQO-UHFFFAOYSA-N 231.252 -0.139 50 20 BBGD CCn1cnc(C(=O)NNC(=O)CN(C)C)c1 857109172 KQEHJFPBIPMHMG-UHFFFAOYSA-N 239.279 -0.774 50 20 BBGD O=C1CC[C@@H](C(=O)NN=C2CCCOCC2)N1 863148277 YEWOMHIEQLLXCV-VIFPVBQESA-N 239.275 -0.062 50 20 BBGD CS(=O)(=O)CC(=O)NN=CC1CC1 863187695 QKVOKEPJPPDSLB-UHFFFAOYSA-N 204.251 -0.457 50 20 BBGD C[C@H](O)CN(C)NC(=O)CNC(=O)C(C)(C)C 910177363 LBJIVJMLLMGAHJ-QMMMGPOBSA-N 245.323 -0.508 50 20 BBGD C[C@H](C(=O)NNC(=O)N(C)C)c1cnn(C)c1 1116208490 VNEYAJJNYLMFQX-ZETCQYMHSA-N 239.279 -0.174 50 20 BBGD O=C(CCc1nc[nH]n1)NNC(=O)C1CCC1 1116210365 FYBVFFVYBOGWNW-UHFFFAOYSA-N 237.263 -0.315 50 20 BBGD O=C(NNc1cccnn1)c1cc([N+](=O)[O-])n[nH]1 1321862067 OAQGOOAUZHYRAI-UHFFFAOYSA-N 249.190 -0.135 50 20 BBGD C[C@H](C(=O)NNC(=O)C1CC1)[C@@H]1CCC(=O)N1 1329139302 BATJFCBLPYHSDB-XPUUQOCRSA-N 239.275 -0.542 50 20 BBGD CNC(=O)CCCC(=O)NNc1cccnn1 1338534393 BSRSBMQPFQRQOR-UHFFFAOYSA-N 237.263 -0.164 50 20 BBGD C=C[C@@H](O)C(=O)NNc1ccc(C(=O)O)cn1 1573346491 AVPINTUWBOOOMO-SSDOTTSWSA-N 237.215 -0.230 50 20 BBGD C=C(C)C[C@@H](N)C(=O)NNC(=O)C1CC1 1574067373 PQUDGLOHCIZXMZ-MRVPVSSYSA-N 211.265 -0.163 50 20 BBGD C=CC[C@@H](NNC(=O)COCC)C(=O)O 1602841717 DTFACTBXQFMXRE-SSDOTTSWSA-N 216.237 -0.327 50 20 BBGD CC(=O)NNC(=O)CNC(=O)Cc1ccccc1 23198846 TYQJFNAPONOSCM-UHFFFAOYSA-N 249.270 -0.487 50 20 BBGD NC(=O)c1cccc(C(=O)NNC(=O)C2CC2)c1 44668575 KUNXULMGRXKDTR-UHFFFAOYSA-N 247.254 -0.044 50 20 BBGD CNC(=O)NNC(=O)COc1ccc(C#N)cc1 53919022 RHMUQFCXDHINJV-UHFFFAOYSA-N 248.242 -0.103 50 20 BBGD COC(=O)NCC(=O)NNC(=O)OC(C)(C)C 58836534 XXNKRPNXTJJXNG-UHFFFAOYSA-N 247.251 -0.102 50 20 BBGD COC(=O)NN=Cc1c(N)ncnc1OC 309285854 OQWAUXLKVRPDRU-UHFFFAOYSA-N 225.208 -0.243 50 20 BBGD O=C(Nc1cccc(B(O)O)c1)[C@@H](O)C1CC1 584912404 FHLILOSFTLLWSH-JTQLQIEISA-N 235.048 -0.924 50 20 BBGD COc1cccc(C(=O)NCB(O)O)c1OC 585057140 MZWLYGALFZMBKF-UHFFFAOYSA-N 239.036 -0.554 50 20 BBGD CCC(=O)NNC(=O)[C@H](C)N(CC)CC#N 732199545 ISHVOJZBQVQRQE-QMMMGPOBSA-N 226.280 -0.222 50 20 BBGD CNC(=O)NNC(=O)c1cc(OC)ccc1O 758004993 SNFWMYUJZSAATO-UHFFFAOYSA-N 239.231 -0.025 50 20 BBGD C[C@]1(C(=O)NNC(=O)c2cc[nH]n2)CCOC1 855356860 SYQKMKBMGMXYGY-JTQLQIEISA-N 238.247 -0.403 50 20 BBGD O=C(NNC(=O)[C@@H]1CCCO1)c1cccnn1 858481493 HDMGBFAFFYQTLD-QMMMGPOBSA-N 236.231 -0.583 50 20 BBGD C#CCO[C@@H](C)C(=O)NNC(=O)c1cn[nH]c1 862469556 OMNWJWYMSZHWJY-ZETCQYMHSA-N 236.231 -0.791 50 20 BBGD CCC[C@@H](O)CC(=O)NNC(=O)c1cn[nH]c1 862472924 XOUOJURVFYOKLA-MRVPVSSYSA-N 240.263 -0.278 50 20 BBGD CC1=NO[C@H](CNCc2cccc(B(O)O)c2)C1 895302147 ORXNJWMLRUAWEO-LBPRGKRZSA-N 248.091 -0.379 50 20 BBGD CC(C)[C@H]1C[C@H](C(=O)NNC(=O)CO)CCO1 897607046 XVWNPGHMONLAMH-RKDXNWHRSA-N 244.291 -0.423 50 20 BBGD CCC[C@@](C)(O)C(=O)NN(C)C[C@@H](C)O 910161364 XYNYOCUSDPBNGQ-PSASIEDQSA-N 218.297 -0.119 50 20 BBGD C[C@@H](O)CN(C)NC(=O)CC1OCCCO1 910161547 VQDTZSNDEVFAKG-MRVPVSSYSA-N 232.280 -0.517 50 20 BBGD O=C1CC[C@@H](C(=O)NNc2ccncn2)N1 1329515633 DLVQKRAAHVVSFL-LURJTMIESA-N 221.220 -0.802 50 20 BBGD O=C(NNc1ccncn1)c1cc2n(n1)CCO2 1331424943 JLIFJBLNDZYBNO-UHFFFAOYSA-N 246.230 -0.178 50 20 BBGD C[C@H](C(=O)NNC(=O)CS(C)(=O)=O)C1CC1 1331736416 LOGHVKHTOQRPEW-LURJTMIESA-N 248.304 -0.776 50 20 BBGD COC(=O)C(=O)NN=C1C[C@H](C)N(C)C1 1333095020 ZBBQYJQRNVZLBM-LURJTMIESA-N 213.237 -0.644 50 20 BBGD CC(CCO)=NNC(=O)c1cccnn1 1333657587 SZSFFBHHRXJWMJ-UHFFFAOYSA-N 208.221 -0.035 50 20 BBGD Cc1cc(=NNC(=O)CC2(N)COC2)cc[nH]1 1579635619 IFEXIEJZKKTYMA-UHFFFAOYSA-N 236.275 -0.627 50 20 BBGD C[C@H](O)CN(C)NC(=O)[C@H](C(=O)O)C1CC1 1589151786 BWUMBHSXLVUXKH-POYBYMJQSA-N 230.264 -0.559 50 20 BBGD CSC[C@H](C)NC(=O)NNC(=O)C(=O)O 1607394633 GMDNQULFMWDDJR-BYPYZUCNSA-N 235.265 -0.847 50 20 BBGD CC1(C(=O)NNC(=O)Cc2ccncc2)COC1 272878599 GGFBPYIIAUBXCT-UHFFFAOYSA-N 249.270 -0.192 50 20 BBGD COC(=O)N(C)NC(=O)C1(O)CCC1 286556287 ZMIYGUZYBLVFPX-UHFFFAOYSA-N 202.210 -0.369 50 20 BBGD CCO/C=C/C(=O)NNC(=O)NCCCOC 493593789 YXLDKUALBSNJQK-VMPITWQZSA-N 245.279 -0.097 50 20 BBGD C[C@@H](CCO)CCNCc1ccc(B(O)O)o1 585043450 MQJVLSIDPWQUSK-SECBINFHSA-N 241.096 -0.542 50 20 BBGD CCN(C)S(=O)(=O)NNC(=O)CC(C)C 746053829 HYQFSTVDYZENRR-UHFFFAOYSA-N 237.325 -0.150 50 20 BBGD Cc1ccc2ncc(C=NNC(=O)C(N)=O)n2c1 755481997 SZNYYRICMDZLFD-UHFFFAOYSA-N 245.242 -0.422 50 20 BBGD CCC(=O)NNC(=O)[C@@H](C)N[C@H](CO)C1CC1 771805956 HJNPRDDMWVROTN-VXNVDRBHSA-N 243.307 -0.707 50 20 BBGD CN(NC(=O)c1cc(O)cc(C#N)c1)C(N)=O 809743330 POVWLDXAQBTDLG-UHFFFAOYSA-N 234.215 -0.081 50 20 BBGD COCCN(C)NC(=O)CCCC(=O)OC 816562656 TZZUJMUZQTXKEI-UHFFFAOYSA-N 232.280 -0.061 50 20 BBGD C[C@H](CO)N(C)NC(=O)COCC1CC1 823970834 LQOYOULZRJBNOW-MRVPVSSYSA-N 216.281 -0.243 50 20 BBGD C[C@@H]1C[C@@H]1C(=O)NNC(=O)c1ncon1 832820799 AMOAPAYTPBHXCZ-UHNVWZDZSA-N 210.193 -0.513 50 20 BBGD COC(=O)N(C)NC(=O)Cc1nonc1C 846121954 HIAJHYWKMNGOQC-UHFFFAOYSA-N 228.208 -0.350 50 20 BBGD CC(=NNC(=O)CN1CCCC1=O)c1cnc[nH]1 853279234 OAFYVFHKFNUXBZ-UHFFFAOYSA-N 249.274 -0.128 50 20 BBGD CNC(=S)N(C)NC(=O)Cc1cc[nH]n1 854924781 RHOVVFHAQWNNLG-UHFFFAOYSA-N 227.293 -0.581 50 20 BBGD C[C@@H](NNC(=O)[C@@H]1COCCO1)C(F)(F)F 862307302 JUEVGVCUSFSRRI-RITPCOANSA-N 242.197 -0.027 50 20 BBGD C#C[C@H](C)NCc1ccc(B(O)O)cc1 863890584 ZKJYUFDXNSKIPU-VIFPVBQESA-N 203.050 -0.522 50 20 BBGD O=C(NCC(F)F)NNC(=O)c1ncccn1 879756650 ZQCSRNSXZANSLI-UHFFFAOYSA-N 245.189 -0.314 50 20 BBGD CCn1nncc1C(=O)NN(C)C[C@@H](C)O 910144881 OZWGBVQFGXZQKI-SSDOTTSWSA-N 227.268 -0.745 50 20 BBGD CCNC(=O)NNC(=O)CCc1cnc[nH]1 1116879513 CYQAOSWVJNLCPJ-UHFFFAOYSA-N 225.252 -0.307 50 20 BBGD O=C(NNC(=O)[C@@H]1CCc2nncn2C1)C1CC1 1117698030 VDVGONDSFJRIAD-MRVPVSSYSA-N 249.274 -0.602 50 20 BBGD Cc1cnc(C(=O)NNC(=O)CCO)o1 1327692921 SGCAJAUHFRFYGQ-UHFFFAOYSA-N 213.193 -0.874 50 20 BBGD COCC#CC(=O)NN(C)CCOC 1328372894 NUSNTRHHRUMSPA-UHFFFAOYSA-N 200.238 -0.754 50 20 BBGD CC[C@H](CN)C(=O)NNC(=O)NC1CC1 1574076134 XFXMZBSPQOAYNL-ZCFIWIBFSA-N 214.269 -0.536 50 20 BBGD NNC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1 37390098 SWKLGLVPVLGACC-SCSAIBSYSA-N 225.170 -0.613 50 20 BBGD C=CCCO[C@@H](C)C(=O)NNC(=O)CN(C)C 113424271 DZZKHQABRRDXBO-VIFPVBQESA-N 243.307 -0.323 50 20 BBGD COCCC(C)(C)C(=O)NNC(=O)CN(C)C 185306120 ZXPGCKMMYLXOCY-UHFFFAOYSA-N 245.323 -0.242 50 20 BBGD COC(=O)N(C)NC(=O)c1cc2n(n1)CCO2 290789409 DNOSSHQKTSXLAK-UHFFFAOYSA-N 240.219 -0.382 50 20 BBGD CC(=O)NCCNC(=O)NNC(=O)CC(C)C 298658267 OXMCNLHTRPKYGB-UHFFFAOYSA-N 244.295 -0.501 50 20 BBGD CCNC(=O)NNC(=O)CN1CCCCC1=O 729343101 HHTRGYYBDCIKQF-UHFFFAOYSA-N 242.279 -0.651 50 20 BBGD CC(C)[C@H](NC(=O)O)C(=O)NNC(=O)N(C)C 736376320 TXOGHUIVRHSAGE-LURJTMIESA-N 246.267 -0.419 50 20 BBGD C[C@@H](C#N)C(=O)NNC(=O)NCC1CC1 746167118 OZHVHVNDHPMLNQ-LURJTMIESA-N 210.237 -0.114 50 20 BBGD Cc1cnn(CC(=O)NNC(=O)C(C)(C)O)c1 768260884 YIGSRKSDFKXMPV-UHFFFAOYSA-N 240.263 -0.890 50 20 BBGD C[C@@H]1CC(=NNC(=O)CO)CN1C1CC1 776781211 XGSWZMXVBFJZST-SSDOTTSWSA-N 211.265 -0.293 50 20 BBGD CCC(=NNC(=O)C(N)=O)c1ccco1 814696387 FKSDFBOGSCSUOP-UHFFFAOYSA-N 209.205 -0.005 50 20 BBGD O=C(NNC(=O)[C@H]1CCNC1=O)C1CCCC1 821750793 QLNYTIBCWGEPLK-QMMMGPOBSA-N 239.275 -0.540 50 20 BBGD C=C[C@](C)(O)C(=O)NNC(=O)NCCC 823951761 UGLYIZOWLDNHQC-VIFPVBQESA-N 215.253 -0.336 50 20 BBGD CCOC(=O)NNC(=O)c1ccn(COC)n1 854164791 AZNIRSKCKHWUFP-UHFFFAOYSA-N 242.235 -0.122 50 20 BBGD O=C(c1cccc(B(O)O)c1)N1CCC[C@H]2C[C@@H]21 863881963 DDNPCWYFEPRCML-CABZTGNLSA-N 245.087 -0.009 50 20 BBGD CCOC(=O)[C@@H]1C[C@H]1C(=O)NNC(=O)C(C)C 929288904 XDEBITVTOZWZAF-HTQZYQBOSA-N 242.275 -0.011 50 20 BBGD CCOC(=O)[C@@H]1C[C@H]1C(=O)NNC(=O)N(C)C 931120381 ZRYHIRVDTKRFDU-RNFRBKRXSA-N 243.263 -0.512 50 20 BBGD O=C1CC[C@@H](C(=O)NNc2nc[nH]n2)C1 1118285609 WVLHRMJPGOSFBO-RXMQYKEDSA-N 209.209 -0.383 50 20 BBGD COC(=O)C(=O)NNC(=O)NCCC(C)C 1319003035 HEOCEEJRMUAGPF-UHFFFAOYSA-N 231.252 -0.464 50 20 BBGD CC(Cc1ccncc1)=NNC(=O)C(N)=O 1319227864 VYTZMPGARQSCFZ-UHFFFAOYSA-N 220.232 -0.399 50 20 BBGD O=C1CC[C@@H](C(=O)NNC(=O)NCC2CC2)N1 1322020838 CPDHDHJYHDAIQE-ZETCQYMHSA-N 240.263 -0.995 50 20 BBGD CC(=O)NNC(=O)CCc1ccnc(C)n1 1327785216 KUCQMRHYRPWAFZ-UHFFFAOYSA-N 222.248 -0.115 50 20 BBGD CCN(CCO)NC(=O)C[C@@H]1CCC(=O)N1 1330262350 UYOCPHGWWZGPRT-QMMMGPOBSA-N 229.280 -1.000 50 20 BBGD COC(=O)C(=O)NN=C(C)c1ncc[nH]1 1343888555 LEKZCKNAAQEMAY-UHFFFAOYSA-N 210.193 -0.577 50 20 BBGD C=C(CCC(=O)O)C(=O)NNC(C)=O 1573336800 GTPXKSWKURMDDN-UHFFFAOYSA-N 200.194 -0.425 50 20 BBGD CCNC(=O)CNS(=O)(=O)CCCCl 36881207 RYUAIEBKYQNXAF-UHFFFAOYSA-N 242.728 -0.329 50 20 BBGD NNC(=O)[C@H]1CCc2nnc(C3CC3)n2C1 39947098 OTKJRTWIKJFAAS-ZETCQYMHSA-N 221.264 -0.292 50 20 BBGD in-vitro CCCC(=O)N1CSC[C@H]1C(=O)NN 121179584 HFODPVRGPSFKCN-LURJTMIESA-N 217.294 -0.322 50 20 BBGD CC(C)(C#N)C(=O)NNC(=O)N1CCOCC1 299400195 VJWSKMBTYMGVRT-UHFFFAOYSA-N 240.263 -0.391 50 20 BBGD CCO[C@@H]1C[C@H]1C(=O)Nc1cccc(B(O)O)c1 584910874 RVKUAIVACDEEJK-GHMZBOCLSA-N 249.075 -0.270 50 20 BBGD CO[C@H](C)CCNCc1ccc(B(O)O)o1 585020815 KBBDTWSJRWSRRS-MRVPVSSYSA-N 227.069 -0.526 50 20 BBGD C[C@@H]1C[C@@H](NCc2ccc(B(O)O)o2)CO1 585048006 IQQHWVGJSWIVDV-HTQZYQBOSA-N 225.053 -0.774 50 20 BBGD COc1ccc2c(c1)OCC2=NNC(=O)C(N)=O 749156463 GDOCYHXRVYQUKD-UHFFFAOYSA-N 249.226 -0.607 50 20 BBGD N#CCOc1ccccc1C(=O)NNC(=O)CO 753451158 AZGVYSSGZVVZBM-UHFFFAOYSA-N 249.226 -0.658 50 20 BBGD CC(C)N1CCC(C(=O)NNC(=O)CO)CC1 757672429 RGNLVNOURGOTQC-UHFFFAOYSA-N 243.307 -0.754 50 20 BBGD C#CCOCCC(=O)NN(C)C(=O)NCC 780709147 CNDWVAOTFXLROD-UHFFFAOYSA-N 227.264 -0.281 50 20 BBGD CNC(=O)NNC(=O)[C@@H]1O[C@H](C)C[C@H]1C 800328520 PKPISZODSYNJEX-FSDSQADBSA-N 215.253 -0.240 50 20 BBGD CCN(CCO)NC(=O)c1cnn(CCF)c1 823884767 JCJPZJTUDFHMNR-UHFFFAOYSA-N 244.270 -0.188 50 20 BBGD CCn1cnc(C(=O)NN(C)[C@H](C)CO)c1 823907462 LTEJSWBGCROVGP-MRVPVSSYSA-N 226.280 -0.140 50 20 BBGD Cn1cc(C#N)c(NC(=O)NNC(=O)O)n1 833040418 GIDWLDFDAGBQRD-UHFFFAOYSA-N 224.180 -0.404 50 20 BBGD COCCOCCC(=O)NNc1ccncn1 857520891 RVNJUWCCRVSNKV-UHFFFAOYSA-N 240.263 -0.027 50 20 BBGD Cc1ccnn1CC(=O)NNC(=O)N(C)C 858908265 YTIBSJGJYYYUHY-UHFFFAOYSA-N 225.252 -0.506 50 20 BBGD CC(=O)N[C@@H](C)C(=O)NN=c1cc[nH]c(C)c1 862507885 FOFSDIRDSYXQBU-QMMMGPOBSA-N 236.275 -0.220 50 20 BBGD C#CCN(CC)C(=O)c1ccc(B(O)O)cc1 863871319 IWRAFVIGHVWDFU-UHFFFAOYSA-N 231.060 -0.538 50 20 BBGD C#C[C@H](CCC)NC(=O)c1ccc(B(O)O)cc1 863879777 ATSGVHJZJHVGJU-GFCCVEGCSA-N 245.087 -0.102 50 20 BBGD CC[C@@]1(C(=O)NN(C)C[C@@H](C)O)CCNC1=O 910182717 IVVIFXZQPIIIPG-LDYMZIIASA-N 243.307 -0.754 50 20 BBGD CCNC(=O)NNC(=O)C1CCC(O)CC1 1321016945 CTGSVYZKUCPXSN-UHFFFAOYSA-N 229.280 -0.112 50 20 BBGD O=C(c1ccccn1)N1CC[C@H](B(O)O)C1 1329215038 MROLRPRZGBKGSR-QMMMGPOBSA-N 220.037 -0.230 50 20 BBGD CCn1nccc1C(=O)NNc1cnnn1C 1334722704 HLYQWHNEPKFRQS-UHFFFAOYSA-N 235.251 -0.212 50 20 BBGD CC(C)NC(=S)NNC(=O)Cc1cnc[nH]1 1353875603 GRUWETAEKPOQRX-UHFFFAOYSA-N 241.320 -0.144 50 20 BBGD COCCN(C)NC(=O)[C@H]1CCCCN1 1574082311 AUCAWVWYPWDHLR-SECBINFHSA-N 215.297 -0.262 50 20 BBGD COC(=O)N(C)NC(=O)NC[C@H](C)C(=O)O 1593855811 MWGLSUSMKRPXHJ-YFKPBYRVSA-N 233.224 -0.381 50 20 BBGD Cn1ccc(NNC(=O)[C@H](C(=O)O)C2CC2)n1 1594550835 WEKFAAWFNPOAIA-MRVPVSSYSA-N 238.247 -0.026 50 20 BBGD CNC(=O)NNC(=O)CC(C)(C)CC(=O)O 1598650216 BHYDVAZLELFULO-UHFFFAOYSA-N 231.252 -0.162 50 20 BBGD O=C(O)Cc1ccc(NNC(=O)CO)cc1 1602126977 AUYRQVRNLWINRP-UHFFFAOYSA-N 224.216 -0.251 50 20 BBGD CC[C@H](C)[C@H](NNC(=O)C(=O)OC)C(=O)O 1604949058 YBYIJVRPAKWBEH-WDSKDSINSA-N 232.236 -0.721 50 20 BBGD Cc1cc(C(=O)NNC(=O)C(C)(C)O)no1 276219568 IBHOWUDBVSBWCF-UHFFFAOYSA-N 227.220 -0.485 50 20 BBGD COC(=O)N(C)NC(=O)/C=C/CN(C)C 286378421 NYSUQPXBSQJVOI-AATRIKPKSA-N 215.253 -0.166 50 20 BBGD CS[C@@H](C)CNCc1ccc(B(O)O)o1 585030738 YPYVRZVHXDOPLG-ZETCQYMHSA-N 229.110 -0.200 50 20 BBGD CC[C@@H]1OCC[C@H]1NCc1ccc(B(O)O)o1 585046621 UWGRQNNPFRQIDI-ZJUUUORDSA-N 239.080 -0.384 50 20 BBGD COc1ccccc1C1(C(=O)NCB(O)O)CC1 585059195 CUPHLHKBHWVOEE-UHFFFAOYSA-N 249.075 -0.145 50 20 BBGD CC(=NNC(=O)CN(C)C)c1cnn(C)c1 727647656 BCHTYWSNCUQYDP-UHFFFAOYSA-N 223.280 -0.178 50 20 BBGD O=C(NNC(=O)N1CCOCC1)c1cc[nH]n1 745985993 HLRSOPAYHJJJLC-UHFFFAOYSA-N 239.235 -0.904 50 20 BBGD CC(C)C(C)(C)C(=O)NNC(=O)CO 784795639 RBVHNABTGWAADN-UHFFFAOYSA-N 202.254 -0.192 50 20 BBGD COCC(=O)NN=Cc1cc(CO)ccc1O 814872043 CBAZMSYGAYUTQJ-UHFFFAOYSA-N 238.243 -0.019 50 20 BBGD CC[C@H](CO)C(=O)NN(CC)CCO 823873522 CIGKRTAZORDMKE-MRVPVSSYSA-N 204.270 -0.650 50 20 BBGD CCN(CCO)NC(=O)C1(CN(C)C)CC1 823893621 PWFGZQNYZDDTSQ-UHFFFAOYSA-N 229.324 -0.326 50 20 BBGD C[C@H](CO)N(C)NC(=O)COC(F)F 823923078 OVZMOYVLVRVUKQ-RXMQYKEDSA-N 212.196 -0.431 50 20 BBGD O=C(NNc1ncccn1)[C@H]1C[C@@]12CCNC2 826726045 BQKUSBMUXYNMHE-LDYMZIIASA-N 233.275 -0.081 50 20 BBGD CN(C)C1(C(=O)NNC(=O)c2ccncc2)CC1 854117067 DBEFOPBQCCMBQQ-UHFFFAOYSA-N 248.286 -0.063 50 20 BBGD O=C(NNC(=O)[C@H]1CCCCO1)[C@@H](O)C1CC1 854684194 ZMUQWVDGHDFZAI-BDAKNGLRSA-N 242.275 -0.526 50 20 BBGD CCO[C@H](C)C(=O)NN(C)C(=S)NC 854926157 VYQGSZVLTYNYMV-ZCFIWIBFSA-N 219.310 -0.121 50 20 BBGD COC/C(C)=C/C(=O)NNC(=O)c1cc[nH]n1 855354827 JXRLPNVGNRPXBF-FNORWQNLSA-N 238.247 -0.237 50 20 BBGD CC[C@@H](OC)C(=O)NNC(=O)c1cn[nH]c1 862474528 NRSNXASSJQCLTN-SSDOTTSWSA-N 226.236 -0.404 50 20 BBGD C[C@H](O)CN(C)NC(=O)C1(N(C)C)CC1 910148891 GLUJWMGSQHYKQZ-QMMMGPOBSA-N 215.297 -0.576 50 20 BBGD CN(C)c1ccc(C=NNC(=O)C(N)=O)s1 916274301 KXRMPCUDJJFEGN-UHFFFAOYSA-N 240.288 -0.251 50 20 BBGD O=C(NNc1ncccn1)[C@]1(O)CCOC1 1118836039 YOZHAZQARTZHJD-VIFPVBQESA-N 224.220 -0.929 50 20 BBGD COC(=O)C(=O)NN=Cc1c(C)noc1C 1252511717 YBOVAIPCTIWSLP-UHFFFAOYSA-N 225.204 -0.085 50 20 BBGD C[C@@H](O)CN(C)NC(=O)C1(F)CCOCC1 1262178771 QEADVQPKBSNOLE-MRVPVSSYSA-N 234.271 -0.151 50 20 BBGD Cn1nncc1CNC(=O)NNc1cccnn1 1325077055 KHQJYHVMUQDLIG-UHFFFAOYSA-N 248.250 -0.569 50 20 BBGD CC(=O)NNC(=O)[C@@H]1CCc2nnc(C)n2C1 1326414046 VKOZNVHZUBFVMF-MRVPVSSYSA-N 237.263 -0.684 50 20 BBGD Cc1cc(C=NNC(=O)[C@@H]2CCC(=O)N2)ncn1 1331820132 FFHSYDBPSKRIJE-VIFPVBQESA-N 247.258 -0.486 50 20 BBGD O=C(CC1CC1)NNC(=O)C[C@@H]1CCC(=O)N1 1334434943 RFBVICMSMNEIME-QMMMGPOBSA-N 239.275 -0.397 50 20 BBGD CO[C@@H](C(=O)O)C(=O)NNC(=O)C(C)(C)C 1604435454 VLZKVMRQMCSDAD-RXMQYKEDSA-N 232.236 -0.721 50 20 BBGD CC(=NNC(=O)C(=O)O)c1c[nH]nc1C 1609553114 GJYGFBMETAHAKO-UHFFFAOYSA-N 210.193 -0.357 50 20 BBGD O=C(CO)NN=C1CCC[C@@H](C(=O)O)C1 1610668155 SNGXWHJKOCWHGR-ZCFIWIBFSA-N 214.221 -0.274 50 20 BBGD CCCC(=O)NNC(=O)c1cnn(C)c1 117682255 AHBAVQCSEBQXFG-UHFFFAOYSA-N 210.237 -0.019 50 20 BBGD CC(=O)NNC(=O)c1ccc(C(=O)O)nc1 309705363 VAHVIUBEUZROJI-UHFFFAOYSA-N 223.188 -0.439 50 20 BBGD Cc1ccn2cc(C(=O)NCB(O)O)nc2c1 585061615 WSNSBPXVMZDMQS-UHFFFAOYSA-N 233.036 -0.615 50 20 BBGD COc1ncc(C(=O)NNC(=O)C(C)C)cn1 733948242 UKAMIFMBBFRDGW-UHFFFAOYSA-N 238.247 -0.098 50 20 BBGD C[C@@H](C(=O)NNC(=O)CO)C(F)(F)F 753445535 LYRBHHVATWZIMK-VKHMYHEASA-N 214.143 -0.676 50 20 BBGD CN1CCC(=NNC(=O)C(F)F)C1=O 761827022 MQNQHGSIEDNYBV-UHFFFAOYSA-N 205.164 -0.414 50 20 BBGD CC(CCn1cccn1)=NNC(=O)C(N)=O 776758459 PMLYKCHEDRQNQV-UHFFFAOYSA-N 223.236 -0.749 50 20 BBGD CN(NC(=O)c1cnn2ccccc12)C(N)=O 778415593 MIJVCULVPDXPCM-UHFFFAOYSA-N 233.231 -0.010 50 20 BBGD CN(NC(=O)COc1cccc(C#N)c1)C(N)=O 778418713 RWCCXNSFVTUCIK-UHFFFAOYSA-N 248.242 -0.021 50 20 BBGD CC(C)n1cncc1C=NNC(=O)CO 819811786 BJZFOQSOULKKOT-UHFFFAOYSA-N 210.237 -0.094 50 20 BBGD C[C@@H](CO)N(C)NC(=O)c1cnc2nccn2c1 823902494 SGLZDHMGZJEYLA-QMMMGPOBSA-N 249.274 -0.313 50 20 BBGD CC(C)N(C)CC(=O)NN(C)[C@@H](C)CO 823964927 GGMBHCXTAFPPTG-VIFPVBQESA-N 217.313 -0.330 50 20 BBGD CC(C)C#CC(=O)NNC(=O)C(C)(C)O 832750384 ZIEBAMUYEYESMD-UHFFFAOYSA-N 212.249 -0.436 50 20 BBGD CC(C)C[C@H](NC(=O)O)C(=O)NN(C)C(N)=O 833478617 GSPAGJPOBYVHGH-LURJTMIESA-N 246.267 -0.290 50 20 BBGD O=C1CC[C@H](C(=O)NNC(=O)C2CC2)C1 843752794 YRSYYPMDRFVQMB-ZETCQYMHSA-N 210.233 -0.087 50 20 BBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1cnco1 843974358 CDVMGUKDBJPGCQ-RNFRBKRXSA-N 239.231 -0.139 50 20 BBGD N#CCCCC(=O)NNC(=O)c1cc[nH]n1 855356154 MTKIPSUBNHVIKR-UHFFFAOYSA-N 221.220 -0.135 50 20 BBGD O=C(NNC(=O)[C@H]1CCCCO1)c1cc[nH]n1 855358034 YUESZJZFQKBFLV-MRVPVSSYSA-N 238.247 -0.260 50 20 BBGD C[C@]1(C(=O)NNC(=O)c2cn[nH]c2)CCOC1 862470207 BSVBMQLDHHTHAJ-JTQLQIEISA-N 238.247 -0.403 50 20 BBGD CC(=O)C[C@H](C)NC(=O)c1cccc(B(O)O)c1 863876005 LBEIEOVFTGHDEK-QMMMGPOBSA-N 249.075 -0.536 50 20 BBGD COC/C=C/C(=O)NNC(=O)C(C)(C)O 867672194 DXAVADJLUYTEBK-SNAWJCMRSA-N 216.237 -0.893 50 20 BBGD C[C@H]1CCN1C(=O)NNC(=O)[C@H]1CCC(=O)N1 883737912 MXFAKXKTDFZOOJ-NKWVEPMBSA-N 240.263 -0.900 50 20 BBGD CNC(=O)NNC(=O)C[C@@H](C)n1ccnc1 1118298438 CSSSAHOGOJXMJE-SSDOTTSWSA-N 225.252 -0.206 50 20 BBGD CN(C)c1ccnc(CNC(=O)NN)c1 1262590981 BMKOYKFNYDIUHX-UHFFFAOYSA-N 209.253 -0.180 50 20 BBGD O=C(NNC(=O)c1ccc[nH]1)c1ccc(O)nn1 1317736685 QRYFUZIPYGQPBH-UHFFFAOYSA-N 247.214 -0.415 50 20 BBGD CCONC(=O)NNC(=O)c1cnn(C)c1 1320543331 JBNCKXPFNVJLFU-UHFFFAOYSA-N 227.224 -0.684 50 20 BBGD COCCNC(=O)NNC(=O)c1cn[nH]c1 1329259307 WVHAOHSGUXBSSN-UHFFFAOYSA-N 227.224 -1.000 50 20 BBGD C=CC[C@@H](NNC(=O)c1cnn(C)c1)C(=O)O 1588749710 PPZFAAYOJHEPBC-MRVPVSSYSA-N 238.247 -0.316 50 20 BBGD CC1(C)CC(CNC(=O)NNC(=O)C(=O)O)C1 1593852796 AGYLMGKOTBVKEX-UHFFFAOYSA-N 243.263 -0.162 50 20 BBGD Cc1nc(C)c(C=NNC(=O)C(=O)O)o1 1600691323 VRXXPOJSEFIQHI-UHFFFAOYSA-N 211.177 -0.174 50 20 BBGD C[S@@](=O)CCNS(=O)(=O)CCCCl 229270594 MZRJYTZXFQDBCK-GFCCVEGCSA-N 247.769 -0.087 50 20 BBGD CC(C)[C@H](N)C(=O)NNc1ncccn1 236775987 NNTCHNJDALVCHW-ZETCQYMHSA-N 209.253 -0.097 50 20 BBGD COC1(C(=O)NN(C)C(N)=O)CCC1 272766400 GRXITNAKVPGYBB-UHFFFAOYSA-N 201.226 -0.403 50 20 BBGD COC(=O)NNC(=O)c1ccc2nc[nH]c2n1 495448407 NTXIKOQZCCPMMY-UHFFFAOYSA-N 235.203 -0.041 50 20 BBGD CC1(C)C[C@H]1NCc1ccc(B(O)O)o1 585018962 XYCRXHFPMNJVFE-MRVPVSSYSA-N 209.054 -0.153 50 20 BBGD CC[C@H](NCc1ccc(B(O)O)o1)[C@H](O)CC 585044780 UCLMULNHYLJQKO-VHSXEESVSA-N 241.096 -0.402 50 20 BBGD COc1ccc(CC(=O)NCB(O)O)cc1 585056925 DRJKXQQJSKCVCO-UHFFFAOYSA-N 223.037 -0.634 50 20 BBGD Cc1cc(C)cc(CC(=O)NCB(O)O)c1 585062149 BVWZIUUMVBVODX-UHFFFAOYSA-N 221.065 -0.026 50 20 BBGD N#Cc1cccc(OCC(=O)NNC(=O)CO)c1 753439456 ZADWBGNMKYSSCI-UHFFFAOYSA-N 249.226 -0.923 50 20 BBGD C[C@@]1(C(=O)NNC(=O)C2CC2)CCOC1 754348522 RQHSEFRPSIBRCA-SNVBAGLBSA-N 212.249 -0.030 50 20 BBGD CCNC(=O)N(C)NC(=O)c1ccnn1C 770542443 IYGATAUZYIZVAH-UHFFFAOYSA-N 225.252 -0.274 50 20 BBGD CS(=O)(=O)c1cccc(NNC(=O)CO)c1 776715323 RGRUGYJBTLIRFU-UHFFFAOYSA-N 244.272 -0.475 50 20 BBGD Cc1cc(CC(=O)NNC(=O)C(C)(C)O)n[nH]1 787953266 GYUCVLYYYLSKGC-UHFFFAOYSA-N 240.263 -0.821 50 20 BBGD CCN(CCO)NC(=O)c1nocc1C 823829336 RIZRXACCPKQVLO-UHFFFAOYSA-N 213.237 -0.058 50 20 BBGD CC(C)C#CC(=O)NNC(=O)Cc1cc[nH]n1 826667797 SBCPBJGBMKRJGJ-UHFFFAOYSA-N 234.259 -0.241 50 20 BBGD C#CCNC(=S)NNC(=O)[C@@H]1CCO[C@H]1C 843277811 UHLUXKUVIYSBFM-JGVFFNPUSA-N 241.316 -0.460 50 20 BBGD C#C[C@H](C)N(C)C(=O)c1cc(B(O)O)ccc1F 863880787 FFGOSKBZGVRIOS-QMMMGPOBSA-N 249.050 -0.401 50 20 BBGD CN(C)C(=O)NNC(=O)[C@@H]1[C@@H]2CCC(=O)[C@H]21 906451589 VRTKHOJXXZPAHM-MHSYXAOVSA-N 225.248 -0.486 50 20 BBGD Cc1nn(C)c(C)c1C(=O)NN(C)C[C@H](C)O 910178815 DUVSAWBJBMGGRV-ZETCQYMHSA-N 240.307 -0.006 50 20 BBGD CCCNC(=O)NNC(=O)CCOCCOC 921038227 LTYSQPXUBCKHRC-UHFFFAOYSA-N 247.295 -0.220 50 20 BBGD CNC(=O)NN=Cc1cnc2n1CCOC2 1332514883 HVTFTQMMARKZPH-UHFFFAOYSA-N 223.236 -0.324 50 20 BBGD CC(C)[C@H](O)COc1ccc(B(O)O)cc1 1333490255 WFFJMOPPHRSSGB-LLVKDONJSA-N 224.065 -0.238 50 20 BBGD COC(=O)NNC(=O)[C@H]1C[C@@H](N)C1(C)C 1578825110 UDMSOBQSGYPGMX-PHDIDXHHSA-N 215.253 -0.253 50 20 BBGD NCC(=O)NNC(=O)c1cc2cccn2cn1 1580211079 WPMQSBNOZCCGMR-UHFFFAOYSA-N 233.231 -0.946 50 20 BBGD CC(=NNC(=O)C(=O)O)c1cnoc1C 1589011346 VHVVGPIQONESNF-UHFFFAOYSA-N 211.177 -0.092 50 20 BBGD CC1(C)CC[C@H]1NC(=O)NNC(=O)C(=O)O 1593883790 UHISGKGBVXSNCG-RXMQYKEDSA-N 229.236 -0.410 50 20 BBGD CNC(=S)NNC(=O)NCC1CC1 45459621 PKSFXLYSLFMICM-UHFFFAOYSA-N 202.283 -0.296 50 20 BBGD CNC(=S)NNC(=O)CCN(C)C 48228279 DQVOSGANSCNIJJ-UHFFFAOYSA-N 204.299 -0.937 50 20 BBGD COc1cc(C(=O)NNC(=O)CN(C)C)on1 139270495 NJJGPIPHZQWKEJ-UHFFFAOYSA-N 242.235 -0.994 50 20 BBGD CCNC(=O)NNC(=O)C(C)(C)NC(=O)O 737123432 AWSVREPQVOSJDE-UHFFFAOYSA-N 232.240 -0.617 50 20 BBGD CC(=O)NNC(=O)CC1(O)CCCC1 749176803 VKDWNCPVSUTSJH-UHFFFAOYSA-N 200.238 -0.151 50 20 BBGD CS/C=C/C(=O)NNC(=O)C(=O)NC(C)C 751564425 CCSQJDUQFPRPIW-SNAWJCMRSA-N 245.304 -0.465 50 20 BBGD CC(C)NC(=O)NNC(=O)[C@@H]1CCC(=O)N1C 751689225 OSVVJHYPIOKOMP-ZETCQYMHSA-N 242.279 -0.654 50 20 BBGD CCC1(C(=O)NNC(=O)NC2CC2)COC1 755239180 YOWSPUYCCWKLHR-UHFFFAOYSA-N 227.264 -0.094 50 20 BBGD CSCC[C@H](O)C(=O)NNC(=O)C(C)C 765469622 UVYYYDXOQCSMSV-ZETCQYMHSA-N 234.321 -0.096 50 20 BBGD C[C@H](C(=O)NN=c1cc[nH]cc1)n1cncn1 780759947 SVICYYUKSNRHCE-MRVPVSSYSA-N 232.247 -0.201 50 20 BBGD CCOCCC(=O)NN(CC)CCO 823856299 PFVYTHWJTNGWFS-UHFFFAOYSA-N 204.270 -0.242 50 20 BBGD Cc1cnn(CCC(=O)NN(C)[C@H](C)CO)c1 823965895 VFBCUSVRVCQSCE-SNVBAGLBSA-N 240.307 -0.075 50 20 BBGD CCOc1cncc(C=NNC(=O)CO)c1 857211688 LQOUEONRMDKAJA-UHFFFAOYSA-N 223.232 -0.077 50 20 BBGD C#C[C@H](CC)NCc1ccc(B(O)O)cc1 863890592 ZQGYAEBBXBEVNT-GFCCVEGCSA-N 217.077 -0.132 50 20 BBGD C[C@@H](O)CN(C)NC(=O)CC1(O)CCC1 910150763 VWNOZWNLYFHOHU-MRVPVSSYSA-N 216.281 -0.365 50 20 BBGD Cc1nonc1C(=O)NN(C)C[C@H](C)O 910166602 BTVCQXRDSOGJFL-YFKPBYRVSA-N 214.225 -0.665 50 20 BBGD CCC(=O)N[C@H](C)C(=O)NN(C)C[C@@H](C)O 910170343 KIIJOVNALKGKFO-HTQZYQBOSA-N 231.296 -0.755 50 20 BBGD CNC(=O)NNC(=O)c1cnccc1C#N 1261216865 OVDPATIIPIKJLF-UHFFFAOYSA-N 219.204 -0.473 50 20 BBGD CNC(=O)NNC(=O)c1cc(C2CC2)n(C)n1 1319084642 SUHLTJHWCROKHO-UHFFFAOYSA-N 237.263 -0.129 50 20 BBGD CC(=O)NNC(=O)[C@@H]1CC12CCOCC2 1321195900 YJORNWRENHOUKL-QMMMGPOBSA-N 212.249 -0.030 50 20 BBGD CNC(=O)NNC(=O)c1cc(OC)ns1 1334938264 AOVCZDOECKYQBN-UHFFFAOYSA-N 230.249 -0.275 50 20 BBGD Cn1nncc1NNC(=O)C[C@](C)(O)C1CC1 1351215223 HBXDJKGIMFNOLL-JTQLQIEISA-N 239.279 -0.191 50 20 BBGD Nc1ccc2c(n1)CCCC2=NNC(=O)C(=O)O 1601218707 XQSOVQGYJCFESC-UHFFFAOYSA-N 248.242 -0.095 50 20 BBGD Cc1ccc(C(=O)NNC(=O)CO)cc1 11638884 RMIMGBMRCXWKFU-UHFFFAOYSA-N 208.217 -0.252 50 20 BBGD O=C(c1ccc(B(O)O)cc1)N1CC[C@H](F)C1 203576905 FMOQTGREFTXSKB-JTQLQIEISA-N 237.039 -0.450 50 20 BBGD C#CCNC(=O)NNC(=O)[C@H](C)OCCOC 490781109 WGCXFDVFVVOSMO-QMMMGPOBSA-N 243.263 -0.999 50 20 BBGD OB(O)c1cccc(CNC[C@@H](O)C2CC2)c1 585040625 OIUWMYXYDGPLIB-GFCCVEGCSA-N 235.092 -0.773 50 20 BBGD CCC1(CNCc2ccccc2B(O)O)COC1 585044392 HUDPBWZIWDSQQK-UHFFFAOYSA-N 249.119 -0.117 50 20 BBGD Cn1c(C(=O)NCB(O)O)cc2ccccc21 585061544 VCRVCXCAKZDBBJ-UHFFFAOYSA-N 232.048 -0.080 50 20 BBGD CC(C)[C@@H]1OCC[C@H]1C(=O)NCB(O)O 585062876 OZZFEUWEWODKRK-SFYZADRCSA-N 215.058 -0.824 50 20 BBGD COC[C@H](C)CC(=O)NNC(=O)CN(C)C 755775757 HRCDYLLWZBKDBO-MRVPVSSYSA-N 231.296 -0.632 50 20 BBGD CCCn1cc(C(=O)NNC(C)=O)nn1 766554489 LNZMEDALMZBVEZ-UHFFFAOYSA-N 211.225 -0.531 50 20 BBGD CN1CC[C@H](C(=O)NNc2cnccn2)C1=O 775280593 JGYIEVCXGYRMRH-SSDOTTSWSA-N 235.247 -0.602 50 20 BBGD COC(=O)CNC(=O)NNC(=S)NC1CC1 779722175 XYAWUBUAHGCMAX-UHFFFAOYSA-N 246.292 -1.000 50 20 BBGD CCNC(=O)N(C)NC(=O)COCCOC 781063919 QIVCMHXAFRKDKA-UHFFFAOYSA-N 233.268 -0.658 50 20 BBGD C[C@H]1C[C@@H]1C(=O)NNC(=O)N1CCN(C)CC1 788169637 SJBYZWDLMYKDKZ-IUCAKERBSA-N 240.307 -0.369 50 20 BBGD CCC(=O)NNC(=O)[C@H](C)N(C)C[C@H](C)OC 796643426 ZJQKORIHZRMCMA-IUCAKERBSA-N 245.323 -0.101 50 20 BBGD CON=CC(=O)NNC(=O)c1ccc(C)o1 809711710 JPCOWOSJSIVGHI-UHFFFAOYSA-N 225.204 -0.019 50 20 BBGD CCN(CCO)NC(=O)c1nnc(C)s1 823889050 GPSNZFYTHPNFHZ-UHFFFAOYSA-N 230.293 -0.194 50 20 BBGD CCN(CCO)NC(=O)Cc1cn(C)nc1C 823889191 LJSCETJIJCNILI-UHFFFAOYSA-N 240.307 -0.384 50 20 BBGD COC(=O)NCC(=O)NN[C@@H](C)C(F)(F)F 862310337 VLGCXYLKLCXWPL-BYPYZUCNSA-N 243.185 -0.086 50 20 BBGD C#CCSCCNCc1ccc(B(O)O)cc1 863888472 PQFUWNGFAQZKDF-UHFFFAOYSA-N 249.144 -0.178 50 20 BBGD COCCOCC(=O)NN=C1CO[C@H](C)C1 872400556 VHYIVJIPELBBDG-MRVPVSSYSA-N 230.264 -0.070 50 20 BBGD CNC(=O)NNC(=O)CCOC[C@H]1CCCO1 919879393 BTWUTYHCJVVFHY-MRVPVSSYSA-N 245.279 -0.468 50 20 BBGD COC[C@H]1COCCN1S(=O)(=O)CCl 922057493 IQAUFQUAFVZECQ-ZETCQYMHSA-N 243.712 -0.140 50 20 BBGD CCn1ccc(CC(=O)NNC(C)=O)n1 1326476265 OWSULIFWKVVQDW-UHFFFAOYSA-N 210.237 -0.387 50 20 BBGD CC(C)NC(=O)NNC(=O)Cc1ncc[nH]1 1330785993 IIAIHPPLCXXESP-UHFFFAOYSA-N 225.252 -0.309 50 20 BBGD COC(=O)NNC(=O)CCCC(N)=O 1339423216 SFLRCXJSMVMONO-UHFFFAOYSA-N 203.198 -0.971 50 20 BBGD Cc1n[nH]cc1C=NNC(=O)NCC(=O)O 1600675213 YCLLSLDREYEFCG-UHFFFAOYSA-N 225.208 -0.564 50 20 BBGD O=C(O)c1cc(N2CC[C@@H](B(O)O)C2)ncn1 1602277613 QUMAROIHKILTAT-ZCFIWIBFSA-N 237.024 -0.772 50 20 BBGD CS(=O)(=O)c1ccccc1C(=O)NN 115297242 SDLBMPXLUAWPKR-UHFFFAOYSA-N 214.246 -0.306 50 20 BBGD CC[C@](C)(O)CNCc1cccc(B(O)O)c1 585015138 PSTKMEZHNDFWAL-LBPRGKRZSA-N 237.108 -0.383 50 20 BBGD C[C@@H](O)C[C@@H](C)NCc1ccccc1B(O)O 585034094 GMNKOWZINXZZFZ-NXEZZACHSA-N 237.108 -0.385 50 20 BBGD O=S(=O)(CCC1CCC1)NCB(O)O 585059328 JPIVONFATSBRES-UHFFFAOYSA-N 221.087 -0.892 50 20 BBGD CC(C)C(=O)NNC(=O)[C@]1(O)CCSC1 765531172 NKMSVJKZFXMIOE-VIFPVBQESA-N 232.305 -0.342 50 20 BBGD COCCCNC(=O)NN=C1C(=O)OC[C@H]1C 794903496 LGOFYJGBUZJGRL-SSDOTTSWSA-N 243.263 -0.129 50 20 BBGD C=C[C@H](C)ONC(=O)NNC(=O)COCC 845634807 BWZBZTGIFDMNGU-ZETCQYMHSA-N 231.252 -0.141 50 20 BBGD CNC(=S)N(C)NC(=O)[C@@H]1C[C@@]12CCOC2 854922378 HXSMWFXFURFRRW-OIBJUYFYSA-N 243.332 -0.120 50 20 BBGD CS(=O)(=O)CC(=O)NN=Cc1ccco1 863190500 YSBVDDQMSDBDFP-UHFFFAOYSA-N 230.245 -0.226 50 20 BBGD O=C(NCC(=O)C1CC1)c1cccc(B(O)O)c1 863878775 QVPOMHNOELOXSZ-UHFFFAOYSA-N 247.059 -0.925 50 20 BBGD Cc1cc(CNCc2cccc(B(O)O)c2)n[nH]1 877057436 DLXZLEMYKINDHQ-UHFFFAOYSA-N 245.091 -0.312 50 20 BBGD C#CCCCNCc1cccc(B(O)O)c1 877069639 CRHKKQSLAUNWOT-UHFFFAOYSA-N 217.077 -0.131 50 20 BBGD C[C@H](O)CN(C)NC(=O)[C@H]1CCCN1C1CC1 910151082 ZJDIYPUFPVOEBW-GXSJLCMTSA-N 241.335 -0.043 50 20 BBGD CC[C@@H](OC)C(=O)NN(C)C[C@H](C)O 910168008 LTBRMELOQPECHC-JGVFFNPUSA-N 204.270 -0.245 50 20 BBGD CN(NC(=O)C1CN(S(C)(=O)=O)C1)C1CC1 911296926 SDAVAADRVHDPFG-UHFFFAOYSA-N 247.320 -0.997 50 20 BBGD CCNC(=O)NNC(=O)c1cn(C2CC2)nn1 1118868916 UTTPRHATUAPKGY-UHFFFAOYSA-N 238.251 -0.423 50 20 BBGD CC(C)C(=O)NNC(=O)[C@H]1CCC(=O)N1 1317702728 SEUXPLJVLOLSPR-ZCFIWIBFSA-N 213.237 -0.932 50 20 BBGD COC(=O)C(=O)NN=C1CCO[C@H](C)C1 1319782990 HMQVMICEZNALLH-ZCFIWIBFSA-N 214.221 -0.170 50 20 BBGD NC(=O)c1ccc(C(=O)NN=c2cc[nH]cc2)o1 1323596087 SNZWWXLHPMVVOF-UHFFFAOYSA-N 246.226 -0.048 50 20 BBGD CC[C@@H]1COCC1=NNC(=O)CCO 1330025647 ORIAKYPGJLTZIV-SSDOTTSWSA-N 200.238 -0.103 50 20 BBGD Cc1nnsc1C(=O)NNC(=O)N(C)C 1343634498 LBSFSIFKISCCQL-UHFFFAOYSA-N 229.265 -0.237 50 20 BBGD COc1ccc(C=NNC(=O)C(=O)O)c(O)c1 1599543363 GJIVBNYXHCKPSU-UHFFFAOYSA-N 238.199 -0.065 50 20 BBGD O=C(NNC(=O)C(=O)O)N[C@@H]1CCC[C@@H](F)C1 1608477172 GFYKEKYAPRVHEL-PHDIDXHHSA-N 247.226 -0.318 50 20 BBGD NNC(=O)c1sccc1-n1cnnn1 37400288 SBSXNPNMAHKBAV-UHFFFAOYSA-N 210.222 -0.673 50 20 BBGD COc1cc(C)nc(NNC(=O)CN)n1 160875931 DPJUNJCNMDXNPK-UHFFFAOYSA-N 211.225 -0.805 50 20 BBGD O=C(CO)NNC(=O)c1c(F)ccc(F)c1F 165803842 FEGFWFQOWVBGSU-UHFFFAOYSA-N 248.160 -0.143 50 20 BBGD COc1ccc(F)cc1C(=O)NNC(=O)CO 180947993 QCCYSXKHVGIYFJ-UHFFFAOYSA-N 242.206 -0.412 50 20 BBGD O=C(CO)NNC(=O)CCc1ccccc1 180949947 RSWQJOVUJLQEDD-UHFFFAOYSA-N 222.244 -0.241 50 20 BBGD CCOC(=O)C(C)(C)C(=O)NN(C)C(N)=O 272231321 VSSHAZPYZLHIJK-UHFFFAOYSA-N 231.252 -0.383 50 20 BBGD Cc1[nH]ccc1C(=O)NNC(=O)C(C)(C)O 276327448 XOULHSZVIZISNV-UHFFFAOYSA-N 225.248 -0.145 50 20 BBGD COC(=O)NNC(=O)CN(C)[C@H]1CCSC1 495906156 UNQFLIWJARKOCR-ZETCQYMHSA-N 247.320 -0.189 50 20 BBGD CC[C@@H](NCc1ccc(B(O)O)o1)C(C)(C)O 585043932 XFNYSLIXEBQJKT-SECBINFHSA-N 241.096 -0.402 50 20 BBGD O=C(NCB(O)O)c1ccc(-c2nc[nH]n2)cc1 585062452 IAUHWJIEFGIYLH-UHFFFAOYSA-N 246.035 -0.787 50 20 BBGD Cc1nonc1C(=O)NNC(=O)C(C)C 736668596 XXDLAUCNPPKOSB-UHFFFAOYSA-N 212.209 -0.205 50 20 BBGD CCC(=O)NNC(=O)[C@H](C)N(C)C1CC(O)C1 759874210 XTOZHXWNUQSWBA-UEJVZZJDSA-N 243.307 -0.613 50 20 BBGD COC(=O)N(C)NC(=O)CCN1CCCC1=O 804123853 FNTUSVFHYQNXQV-UHFFFAOYSA-N 243.263 -0.272 50 20 BBGD CCC(=NNC(=O)C(N)=O)c1ccc(F)cn1 814695428 BCSMFEFZAPWMCJ-UHFFFAOYSA-N 238.222 -0.064 50 20 BBGD CCN(CCO)NC(=O)[C@@H](NC(C)=O)C(C)C 823833418 BHPLZUHCIRHVLK-JTQLQIEISA-N 245.323 -0.508 50 20 BBGD C[C@@H](CO)N(C)NC(=O)[C@](C)(O)C1CCC1 823922379 KIIKAGGVLGBYHQ-GZMMTYOYSA-N 230.308 -0.119 50 20 BBGD CC(=O)NCC(C)(C)C(=O)NNC(=O)C1CC1 845076101 HOSKCXIEMUJIFC-UHFFFAOYSA-N 241.291 -0.294 50 20 BBGD Cc1nc(CC(=O)NN(C)C2CC2)n[nH]1 854983692 QGRBZTXYQNBMNI-UHFFFAOYSA-N 209.253 -0.219 50 20 BBGD CCO[C@@H]1C[C@@H]1C(=O)NNC(=O)c1cn[nH]c1 862475069 XWTVHQVVXQWTPL-JGVFFNPUSA-N 238.247 -0.404 50 20 BBGD CC(=NNC(=O)[C@H]1CCC(=O)N1)c1ccnn1C 863152043 COHDAEGEQKTZQA-MRVPVSSYSA-N 249.274 -0.461 50 20 BBGD CC1(C)CC(=NNC(=O)CS(C)(=O)=O)CO1 863183876 OSSOLKVOCPFKCL-UHFFFAOYSA-N 248.304 -0.298 50 20 BBGD CC(C)C(=O)NNC(=O)CSCCC(N)=O 863382283 KPHSASWFVRYHTC-UHFFFAOYSA-N 247.320 -0.602 50 20 BBGD COCCN(C)NC(=O)c1cc(CO)on1 868241450 AOKOHVXCOYAPDP-UHFFFAOYSA-N 229.236 -0.610 50 20 BBGD CCC1(C(=O)NNC(=O)COCCOC)CC1 869910726 XFIWVEXSAHNSBS-UHFFFAOYSA-N 244.291 -0.013 50 20 BBGD C=CCNC(=S)NNC(=O)CN1CCCC1 873765459 LEEWZANEQVTYQA-UHFFFAOYSA-N 242.348 -0.237 50 20 BBGD CC[C@]1(C(=O)NNC(=O)OC)CCNC1=O 878001417 XVKNUALJEFKUJP-VIFPVBQESA-N 229.236 -0.710 50 20 BBGD CC#CC[C@H](CO)NCc1cccc(B(O)O)c1 895103654 ZYBDPLYDLHBPIS-CYBMUJFWSA-N 247.103 -0.770 50 20 BBGD CCCn1cc(C(=O)NN(C)C[C@H](C)O)nn1 910156735 WRLVKCLPFWILPZ-QMMMGPOBSA-N 241.295 -0.355 50 20 BBGD CCn1cc(CC(=O)NN(C)C[C@@H](C)O)cn1 910158354 CNUYOWIOPINKPA-SECBINFHSA-N 240.307 -0.211 50 20 BBGD CCOCCO[C@H](C)C(=O)NN(C)C[C@@H](C)O 910167510 HABIXTFSLWXWCX-NXEZZACHSA-N 248.323 -0.228 50 20 BBGD NC(=O)C1(C(=O)NNc2ncc(F)cn2)CC1 1116403537 UGLCCRWHFMQEPM-UHFFFAOYSA-N 239.210 -0.676 50 20 BBGD Cc1cc(C(=O)NNC(=O)NC2CC2)n(C)n1 1318030068 BSBVWGRUKUIPPZ-UHFFFAOYSA-N 237.263 -0.165 50 20 BBGD O=C(CCl)N1CCN2C(=O)OC[C@H]2C1 1319786064 WNYZYOSCJABMJT-ZCFIWIBFSA-N 218.640 -0.112 50 20 BBGD Cc1c(CCC(=O)NN(C)C(N)=O)cnn1C 1319890127 VKVNWALFJOUYLO-UHFFFAOYSA-N 239.279 -0.297 50 20 BBGD C[C@H](CC(N)=O)C(=O)NNC(=O)C1CC1 1321823970 DAPMOQMLCHRJLN-RXMQYKEDSA-N 213.237 -0.945 50 20 BBGD Cn1nncc1NNC(=O)c1cc(C#N)c[nH]1 1326345200 WVOGYEAHQHZOOY-UHFFFAOYSA-N 231.219 -0.228 50 20 BBGD C[C@@H](CO)N(C)NC(=O)CCn1ccnn1 1329806564 MGFMHFHHOYJAFJ-QMMMGPOBSA-N 227.268 -0.988 50 20 BBGD CC[C@@H](F)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 1336569728 RJBXLDKZAUQKLQ-RITPCOANSA-N 231.227 -0.840 50 20 BBGD COC(=O)NNC(=O)C[C@H](N)C(F)F 1578825280 XFANFSAZPRUNKQ-VKHMYHEASA-N 211.168 -0.644 50 20 BBGD CC(C)(C)C(=O)NNC(=O)C(=O)NC1CC1 41980099 ISSDINPYCOMCCK-UHFFFAOYSA-N 227.264 -0.542 50 20 BBGD CC(=O)NNC(=O)Nc1nc2ccccn2n1 121616544 WANUVOUQGXXCMX-UHFFFAOYSA-N 234.219 -0.098 50 20 BBGD O=C(CCl)NCCC(=O)N1CCOCC1 156927811 VQWXMUFVFUTXTG-UHFFFAOYSA-N 234.683 -0.410 50 20 BBGD CNC(=O)NNC(=O)c1cscn1 306929755 BALNZUASNOHTNX-UHFFFAOYSA-N 200.223 -0.283 50 20 BBGD COC[C@H](C)C(=O)Nc1cccc(B(O)O)c1 584909343 CPZPIEATMGOJDB-QMMMGPOBSA-N 237.064 -0.413 50 20 BBGD CC[C@H](C)NC(=O)c1ccc(B(O)O)cc1 584923082 CMQOLWOBIBMAAU-QMMMGPOBSA-N 221.065 -0.105 50 20 BBGD CC[C@@H](NCc1ccc(B(O)O)o1)[C@@H](C)O 585044716 RBDQHWDTIOVVAK-VXNVDRBHSA-N 227.069 -0.792 50 20 BBGD O=C(/C=C/c1nc2ccccc2o1)NCB(O)O 585060879 GHICVKSSFMGYGW-AATRIKPKSA-N 246.031 -0.031 50 20 BBGD COc1cc(C(=O)NCB(O)O)ccc1F 585062318 FVMRLKCRYDRVPB-UHFFFAOYSA-N 227.000 -0.424 50 20 BBGD CC(CCO)=NNC(=O)N1CCOCC1 749855050 AOEMAPZJRSWILM-UHFFFAOYSA-N 215.253 -0.214 50 20 BBGD O=C(CO)NNC(=O)Cc1cn2ccccc2n1 753437300 HUXAJWDVRONLTI-UHFFFAOYSA-N 248.242 -0.984 50 20 BBGD COC1(C(=O)NNC(=O)CN(C)C)CCC1 782113901 CHWVHYLZDJODBK-UHFFFAOYSA-N 229.280 -0.736 50 20 BBGD O=C(C[C@@H]1CCCC(=O)N1)NNc1ncccn1 809596762 BPSUOHRTNKATGI-QMMMGPOBSA-N 249.274 -0.022 50 20 BBGD Cc1ccc(C(=O)NNC(=O)c2ncn(C)n2)o1 810490135 OMCPUJAIVUTJQH-UHFFFAOYSA-N 249.230 -0.209 50 20 BBGD CCOC1CC(=NNC(=O)C(=O)NC2CC2)C1 814777865 IFIJVGDRBGIDQV-UHFFFAOYSA-N 239.275 -0.064 50 20 BBGD COCCN(C)NC(=O)[C@H](C)n1cncn1 816562478 MXTLEMCTCRNYCL-QMMMGPOBSA-N 227.268 -0.552 50 20 BBGD C[C@@H](CO)N(C)NC(=O)c1csc(CO)n1 823918030 QLAIEROTHDHJMO-LURJTMIESA-N 245.304 -0.407 50 20 BBGD CCCNC(=O)NNC(=O)[C@@H]1CC(C)=NO1 823950151 DKRHKLAXMNXMLX-ZETCQYMHSA-N 228.252 -0.108 50 20 BBGD CC[C@H](CO)C(=O)NNC(=O)[C@H]1CCO[C@H]1C 843970923 MZQPBTCTQJRKQR-YIZRAAEISA-N 244.291 -0.423 50 20 BBGD COCCN(C)NC(=O)[C@H]1CC[C@@H]1C(N)=O 848057541 WRGYGHJSXZHBHC-YUMQZZPRSA-N 229.280 -0.893 50 20 BBGD C=CC(=O)N(C)CC(=O)NN(C)C1CC1 862038147 WGBHDHONRRUHGT-UHFFFAOYSA-N 211.265 -0.244 50 20 BBGD C#C[C@H](CC)NC(=O)c1cc(B(O)O)ccc1F 863879980 JYZLSGWWWVPMPU-SECBINFHSA-N 249.050 -0.353 50 20 BBGD Cc1onc(CO)c1C(=O)NN(C)[C@H](C)CO 1119047931 PNKGLOJLVGWDAL-ZCFIWIBFSA-N 243.263 -0.567 50 20 BBGD C[C@H](C(=O)NN(C)C(N)=O)c1cnn(C)c1 1319893818 ZYENEDCZOMSRTI-LURJTMIESA-N 225.252 -0.435 50 20 BBGD CN(C)C(=O)NNC(=O)c1cnc(O)n1C 1329700355 LEHORGNVTOWEKR-UHFFFAOYSA-N 227.224 -0.958 50 20 BBGD O=C(NNC(=O)C(=O)O)N[C@@H]1CCCC[C@@H]1F 1601552606 AQAPBSLAQBWABP-NTSWFWBYSA-N 247.226 -0.318 50 20 BBGD CNC(=O)CN1CCCN(C(=O)CCl)CC1 2049395814 QHZQYXNFBRSTKO-UHFFFAOYSA-N 247.726 -0.495 50 20 BBGD NC(=O)C(=O)NN=C1CCSCC1 44060890 WRBYHFNYUPOYTG-UHFFFAOYSA-N 201.251 -0.529 50 20 BBGD CNC(=O)NNS(=O)(=O)c1cccc(F)c1 48962001 ZFFWIIQGSZWGKL-UHFFFAOYSA-N 247.251 -0.052 50 20 BBGD CC(C)(CN)C(=O)NNc1ncccn1 151495669 ADOYFWSTSVHIRG-UHFFFAOYSA-N 209.253 -0.095 50 20 BBGD C[C@@H](Oc1cccnc1)C(=O)NN(C)C(N)=O 182659128 BVXRUDBERBHFHF-SSDOTTSWSA-N 238.247 -0.109 50 20 BBGD Cc1cscc1C(=O)NNC(=O)CO 182772430 DRBVCNKMGQGICL-UHFFFAOYSA-N 214.246 -0.190 50 20 BBGD C[C@@H]1CN(S(=O)(=O)CCl)C[C@@H](CO)O1 230003160 WLJMIVPNYDUSLK-RQJHMYQMSA-N 243.712 -0.406 50 20 BBGD NNC(=O)CSCC(=O)N1CCCCC1 300757480 DPYSBUZNIQSOIG-UHFFFAOYSA-N 231.321 -0.278 50 20 BBGD O=C(NCB(O)O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 585062351 HBGWJTNYMSIVCC-HRDYMLBCSA-N 209.054 -0.283 50 20 BBGD COC(=O)CCCC(=O)NNC(=O)CN(C)C 764460912 CHHJAKCLLXCTFP-UHFFFAOYSA-N 245.279 -0.961 50 20 BBGD CC(C)C(=O)NNC(=O)[C@@]1(O)CCSC1 765531166 NKMSVJKZFXMIOE-SECBINFHSA-N 232.305 -0.342 50 20 BBGD CC[C@@](C)(OC)C(=O)NNC(=O)CN(C)C 795071632 ZFKGTUGHWYDLRP-SNVBAGLBSA-N 231.296 -0.490 50 20 BBGD CCN(CCO)NC(=O)CCN1CCCC1=O 823856050 LLWKOHYUVWTPOL-UHFFFAOYSA-N 243.307 -0.656 50 20 BBGD CC1=NO[C@@H](CNCc2ccccc2B(O)O)C1 895302177 PMDZUXCMMKZXDK-LLVKDONJSA-N 248.091 -0.379 50 20 BBGD CC(=O)CCC(=O)NN(C)C[C@@H](C)O 910183645 SAMTYPZXMBSQLQ-MRVPVSSYSA-N 202.254 -0.301 50 20 BBGD CCNC(=O)NNC(=O)COCC(F)(F)F 920858402 HLCQWZYQROQWOJ-UHFFFAOYSA-N 243.185 -0.084 50 20 BBGD O=C(CN1CCn2ccnc21)NNC(=O)C1CC1 931522884 SKKZVROPAPVWOM-UHFFFAOYSA-N 249.274 -0.740 50 20 BBGD CNC(=O)NNC(=O)c1ccc(C(N)=O)s1 1115956959 ACZBUVRQUIVHDA-UHFFFAOYSA-N 242.260 -0.579 50 20 BBGD CC(C)(C)C(=O)NNC(=O)N1CC[C@H]1CO 1121947046 BDSQWNWOABPYME-ZETCQYMHSA-N 229.280 -0.160 50 20 BBGD C[C@@H]1CN(C2CC2)CC1=NNC(=O)CCO 1319126908 MHUGIAKYIQVTSQ-MRVPVSSYSA-N 225.292 -0.045 50 20 BBGD CNC(=O)NNC(=O)c1ccnc2c1ncn2C 1324739010 XWCFWPNVZZYLRC-UHFFFAOYSA-N 248.246 -0.458 50 20 BBGD Cn1ccc(C=NNC(=O)[C@H]2CCC(=O)N2)n1 1331723796 YTZFBTSLFACYKW-MRVPVSSYSA-N 235.247 -0.851 50 20 BBGD CNC(=O)CCCCC(=O)NN(C)C[C@H](C)O 1332176209 VHELBGICHMXADI-VIFPVBQESA-N 245.323 -0.363 50 20 BBGD O=C(NNC(=O)C1CCOCC1)c1cn[nH]c1 1333253193 KAHXSJVVHIUVOB-UHFFFAOYSA-N 238.247 -0.403 50 20 BBGD CCOC(=O)NNC(=O)c1cnnn1C 1339847277 UFRWECKZVASCKW-UHFFFAOYSA-N 213.197 -0.794 50 20 BBGD C=C(CC)C(=O)NNC(=O)N1CCN(C)CC1 1521559336 MCMPHABFAOWLSY-UHFFFAOYSA-N 240.307 -0.059 50 20 BBGD NNC(=O)N[C@H]1CCC2(C1)OCCO2 1580358250 AUVURTCREJOARC-LURJTMIESA-N 201.226 -0.545 50 20 BBGD CCN(CCO)NC(=O)C1(CC(=O)O)CCC1 1603739552 PZMFDMPFZKSSAE-UHFFFAOYSA-N 244.291 -0.023 50 20 BBGD CCCNC(=O)NNC(=O)c1cnns1 49278992 KOXNFQAQCOEUNR-UHFFFAOYSA-N 229.265 -0.108 50 20 BBGD CCO[C@H]1C[C@H]1C(=O)NN(C)C(N)=O 182641299 WAOYRAYXHWKYDA-RITPCOANSA-N 201.226 -0.547 50 20 BBGD C#CCN1CCC(C(=O)NNC(=O)OC)CC1 185418881 ALVUQCMXKOARME-UHFFFAOYSA-N 239.275 -0.281 50 20 BBGD CCC(CC)NC(=O)C(=O)NNC=C(C#N)C#N 265957556 XKCMVWDSROSDIZ-UHFFFAOYSA-N 249.274 -0.157 50 20 BBGD CC(=O)NNC(=O)CNCC(F)(F)F 308517428 NFZGNAWQPRHTQU-UHFFFAOYSA-N 213.159 -0.694 50 20 BBGD COC(=O)NCC(=O)NNC(=O)c1ccc[nH]1 490750934 KMMJWUQMOXQSID-UHFFFAOYSA-N 240.219 -0.868 50 20 BBGD COC(=O)NNS(=O)(=O)c1ccoc1 495810248 NPCWOKRQYXGJQW-UHFFFAOYSA-N 220.206 -0.171 50 20 BBGD COc1cccc(CC(=O)NCB(O)O)c1 585056953 DSHHDMVYNXAHFI-UHFFFAOYSA-N 223.037 -0.634 50 20 BBGD COCCCNC(=O)NNC(=O)CCOC 727102498 CZRSYAHFUAVBIK-UHFFFAOYSA-N 233.268 -0.610 50 20 BBGD CC(CS(C)(=O)=O)=NNC(=O)CN(C)C 732532507 LOVFAWFXNAJLES-UHFFFAOYSA-N 235.309 -0.915 50 20 BBGD Cc1[nH]nc(C(=O)NNC(=O)CC2CC2)c1O 819132096 YZNDQJFRDRELBI-UHFFFAOYSA-N 238.247 -0.015 50 20 BBGD C[C@@H](CO)N(C)NC(=O)c1cnn2c1CCC2 823917773 NLAQWJLPJASKHM-QMMMGPOBSA-N 238.291 -0.213 50 20 BBGD CCNC(=O)N(C)NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 839716390 BGEXHYYPQPCSIM-PHDIDXHHSA-N 230.224 -0.656 50 20 BBGD CNC(=S)N(C)NC(=O)c1csc(O)n1 854922454 LITZPTQGWZFBIX-UHFFFAOYSA-N 246.317 -0.070 50 20 BBGD O=C(CCCF)NNC(=O)c1cn[nH]c1 862466809 LOOVHAWNHCPDFL-UHFFFAOYSA-N 214.200 -0.080 50 20 BBGD C[C@H](O)CN(C)NC(=O)COCC1CC1 910170981 QESGMEFWVYPXFK-QMMMGPOBSA-N 216.281 -0.243 50 20 BBGD CCc1nc(C(=O)N2CC[C@@H](B(O)O)C2)co1 1118914943 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CCO/C=C(\C#N)C(=O)NC[C@H]1COCO1 861974486 PCBBCFOPMXHOID-QRJSTWQJSA-N 226.232 -0.081 50 20 BBGD C#CCCCNCc1ccccc1B(O)O 877070015 JIQZNMZYHDNFAR-UHFFFAOYSA-N 217.077 -0.131 50 20 BBGD CN(NC(=O)CCc1ncccn1)C(N)=O 1326072344 SWSLXDXRRQHODV-UHFFFAOYSA-N 223.236 -0.549 50 20 BBGD NC(=O)c1ccc(NNC(=O)CCCF)nn1 1328991583 VTOGNURCIMZAKQ-UHFFFAOYSA-N 241.226 -0.232 50 20 BBGD CN(C)C(=O)NNC(=O)c1c[nH]c(C#N)c1 1337380135 DPRLOXWGJUYXBV-UHFFFAOYSA-N 221.220 -0.198 50 20 BBGD COc1ccnc(NNC(=O)[C@@H](C)C(=O)O)n1 1594150986 TUQDMXJLJQLIDU-RXMQYKEDSA-N 240.219 -0.351 50 20 BBGD C[C@H](O)CNS(=O)(=O)CBr 126721050 QWMZKCUDQNSHGV-BYPYZUCNSA-N 232.099 -0.361 50 20 BBGD OB(O)c1ccc(CNCCc2ccco2)o1 585013856 ADEXGXNTMLHOBY-UHFFFAOYSA-N 235.048 -0.115 50 20 BBGD CN1CCC(NCc2ccc(B(O)O)o2)CC1 585014074 HXKGGLCPBVRJJF-UHFFFAOYSA-N 238.096 -0.857 50 20 BBGD C#CCC[C@H](O)CNS(=O)(=O)CCl 717911750 BXFRSBYYQBVFPX-ZETCQYMHSA-N 225.697 -0.124 50 20 BBGD CN(C)CC(=O)NN=Cc1cncn1C 755690108 XJWLKTPQTIOPAN-UHFFFAOYSA-N 209.253 -0.568 50 20 BBGD COCC(=O)NN=C1C(=O)Nc2cc(O)ccc21 761821463 IPSLXIYISPTOJR-UHFFFAOYSA-N 249.226 -0.189 50 20 BBGD CC[C@H](CO)C(=O)NNC(=O)C(C)C 779724294 JSCQZVWCFHTOTL-SSDOTTSWSA-N 202.254 -0.192 50 20 BBGD CNC(=O)NNC(=O)[C@@H](O)C1CCCCC1 783576975 VKZMSVXBTBKBDQ-QMMMGPOBSA-N 229.280 -0.112 50 20 BBGD COC(=O)COCC(=O)NN(C)C1CC1 822434433 TZZWXOYAXZXMFU-UHFFFAOYSA-N 216.237 -0.699 50 20 BBGD CCN(CCO)NC(=O)C[C@H](C)OC 823856210 MXWPJOOMJFNEJC-QMMMGPOBSA-N 204.270 -0.243 50 20 BBGD CCNC(=O)N(C)NC(=O)CNCC1CC1 831944850 JJKIIWSAADTWPQ-UHFFFAOYSA-N 228.296 -0.322 50 20 BBGD CNCCCNS(=O)(=O)CBr 850582709 UHEHZRAWCBEWHS-UHFFFAOYSA-N 245.142 -0.132 50 20 BBGD CCC(=O)NNC(=O)[C@H](C)N(C)CC(C)(C)N 852754065 NWQYKQVSYOSMSV-QMMMGPOBSA-N 244.339 -0.399 50 20 BBGD CNC(=S)N(C)NC(=O)[C@@](C)(O)C(C)C 854922640 OJXCVYCTPQTGEQ-VIFPVBQESA-N 233.337 -0.139 50 20 BBGD O=C(NNC(=O)[C@H]1CCSC1)c1cn[nH]c1 862472054 FALSAEGRXFTJIV-LURJTMIESA-N 240.288 -0.076 50 20 BBGD CCO/C=C(\C#N)C(=O)N1CCC[C@H]1C(N)=O 862896938 BTIFANNQWTWQBW-FLOXNTQESA-N 237.259 -0.093 50 20 BBGD COC(=O)C(=O)NNC(=O)N[C@@H]1CCC1(C)C 1117485733 RZNNBWXURCPCDK-ZCFIWIBFSA-N 243.263 -0.322 50 20 BBGD CNC(=O)NNC(=O)[C@@H]1CCc2n[nH]cc2C1 1253672034 UKSYXWLCIZUCMF-ZCFIWIBFSA-N 237.263 -0.525 50 20 BBGD COC(=O)C(=O)NNC(=O)NCC1=CCCC1 1327859521 MMLUTBANQBIYHD-UHFFFAOYSA-N 241.247 -0.400 50 20 BBGD Cc1nonc1CC(=O)NNc1cccnn1 1351245538 PPUCPKCWLUYDNB-UHFFFAOYSA-N 234.219 -0.146 50 20 BBGD CCOC(=O)NCC(=O)NN(C)C(=O)OC 286284675 IYLZZSGVCHRJOK-UHFFFAOYSA-N 233.224 -0.538 50 20 BBGD CC(C)N(C)S(=O)(=O)NNC(=O)O 736457431 JHUVUUPWZULICZ-UHFFFAOYSA-N 211.243 -0.656 50 20 BBGD CNC(=O)NNC(=O)[C@H]1CCCCN1C 737805467 FSAAUTROKWHYOE-SSDOTTSWSA-N 214.269 -0.569 50 20 BBGD CCC(=O)NNC(=O)[C@@H](C)N(C)CCC#N 751474509 DSQXWYFKCHDXMC-MRVPVSSYSA-N 226.280 -0.222 50 20 BBGD CCNC(=O)N(C)NS(=O)(=O)N(C)CC 768493636 GXQLVOQYRQYQQK-UHFFFAOYSA-N 238.313 -0.651 50 20 BBGD CCNC(=O)N(C)NC(=O)C1(O)CCC1 773700908 FLLMSPQKHKAKLA-UHFFFAOYSA-N 215.253 -0.406 50 20 BBGD CCNC(=O)NNC(=O)C[C@H]1CCCC(=O)N1 813424266 JNTZAODEQYWBHR-SSDOTTSWSA-N 242.279 -0.605 50 20 BBGD CC(CCO)=NNC(=O)Cc1cc[nH]n1 814954712 NEJQZLYWYJYGAA-UHFFFAOYSA-N 210.237 -0.173 50 20 BBGD C[C@H](CC(N)=O)C(=O)NNC(=O)CC1CC1 819110304 XWSVBPNXICYKHH-ZCFIWIBFSA-N 227.264 -0.555 50 20 BBGD COc1cnc(C(=O)NN(C)[C@H](C)CO)nc1 823916949 BPWHHVSXLFHUCD-SSDOTTSWSA-N 240.263 -0.557 50 20 BBGD CNC(=S)N(C)NC(=O)C1(O)CCC1 854922857 SWSOHJWLCXQRMA-UHFFFAOYSA-N 217.294 -0.631 50 20 BBGD CCC1(C(=O)NN(C)C(=S)NC)COC1 854924823 TYFVHTIFTBIEIL-UHFFFAOYSA-N 231.321 -0.120 50 20 BBGD CCO/C=C/C(=O)NNC(=O)COCCOC 869906392 URKWDHKPJLEUOX-SNAWJCMRSA-N 246.263 -0.653 50 20 BBGD COCCOCC(=O)NN=C1C(=O)OC[C@H]1C 872400605 NKLJZRIEKUUILB-SSDOTTSWSA-N 244.247 -0.686 50 20 BBGD C[C@H](O)CN(C)NC(=O)c1csnn1 910169661 GBCPENIFJNEORI-YFKPBYRVSA-N 216.266 -0.505 50 20 BBGD Cc1cc(C(=O)NN(C)C[C@@H](C)O)on1 910180643 YCKYTSUTUSTTDG-SSDOTTSWSA-N 213.237 -0.060 50 20 BBGD CCN(CC)CCC(=O)NNC(=S)NC 916127233 PMSUUTWCNDBZKE-UHFFFAOYSA-N 232.353 -0.157 50 20 BBGD CCCCC(=O)NNC(=O)CN1CCCC1=O 920433450 FBFFAEWZQQAMAX-UHFFFAOYSA-N 241.291 -0.054 50 20 BBGD CC(C)(O)C(=O)NNC(=O)COC(F)(F)F 935563295 LQLSAYCGYCTJLJ-UHFFFAOYSA-N 244.169 -0.559 50 20 BBGD Cc1cc(C=NNC(=O)CN(C)C)ncn1 1117736057 XRVMGCNDIXCUTI-UHFFFAOYSA-N 221.264 -0.203 50 20 BBGD Cn1cncc1C(=O)NNC(=O)NC1CC1 1261216851 OGYCFONAEHBJPS-UHFFFAOYSA-N 223.236 -0.474 50 20 BBGD CCNC(=O)NNC(=O)c1ccnn1C 1318091047 XCFPWCGHBJCDJK-UHFFFAOYSA-N 211.225 -0.616 50 20 BBGD CCO/C=C(/C#N)C(=O)N[C@@H](COC)C(N)=O 1319760639 QNBCLHHJRQUZDP-TVSKSKRASA-N 241.247 -0.953 50 20 BBGD Cc1cc(C(=O)NN(C)C(N)=O)n(C)n1 1319841408 FNIVDLVJNUKGNZ-UHFFFAOYSA-N 211.225 -0.616 50 20 BBGD Cn1nncc1NNC(=O)CCCC#N 1328636877 MPSTYGRNOYFNKP-UHFFFAOYSA-N 208.225 -0.048 50 20 BBGD C[C@H](CO)N(C)NC(=O)C1CCOCC1 1329861349 HOOZIGXEJZLXQJ-MRVPVSSYSA-N 216.281 -0.243 50 20 BBGD N#CC1=CCN(C(=O)CN2C(=O)CCC2=O)CC1 1348006365 LBHSWSNRXGNUEP-UHFFFAOYSA-N 247.254 -0.182 50 20 BBGD Cc1cccc(O)c1C(=O)NNC(=O)[C@@H]1CCN1 1579771740 IXSDWVCFVBTJLT-QMMMGPOBSA-N 249.270 -0.176 50 20 BBGD NC(=O)NN=Cc1ccc(C=NNC(N)=O)cc1 254824876 ODNSMDXGASIMOX-UHFFFAOYSA-N 248.246 -0.309 50 20 BBGD CN(C)CC(=O)NNC(=O)Cc1ccco1 270585570 XMXUBYBDMMVCFF-UHFFFAOYSA-N 225.248 -0.469 50 20 BBGD Cn1cncc1C(=O)NNC(=O)C1CC1 277554192 SYJHKMCURXWNKZ-UHFFFAOYSA-N 208.221 -0.409 50 20 BBGD COC(=O)N(C)NC(=O)[C@@H](O)c1cccnc1 286552018 ZGBMEHMWXPXGBT-QMMMGPOBSA-N 239.231 -0.156 50 20 BBGD O=C1CCCN1CCNS(=O)(=O)CCl 405393468 HPOVPEJHKBKLHI-UHFFFAOYSA-N 240.712 -0.276 50 20 BBGD C[C@H](CF)NC(=O)c1ccc(B(O)O)cc1 584989359 CGFLOQYYRINBSJ-SSDOTTSWSA-N 225.028 -0.546 50 20 BBGD CC(C)[C@@H](CCO)NCc1ccc(B(O)O)o1 585025667 ZVYLXRHQJBVXJY-SNVBAGLBSA-N 241.096 -0.544 50 20 BBGD OB(O)c1ccc(CNC[C@@H](O)C2CCC2)o1 585044603 NXYRGFHPLPVFJX-SNVBAGLBSA-N 239.080 -0.790 50 20 BBGD CCC(=O)N[C@@H](C)C(=O)NNc1cnccn1 734244246 ZGJZKEWDXRREHN-ZETCQYMHSA-N 237.263 -0.166 50 20 BBGD CC(C)OCC(=O)NNc1nccn(C)c1=O 747938675 XRJPWUNKXNGORK-UHFFFAOYSA-N 240.263 -0.352 50 20 BBGD COC(=O)c1cc(C=NNC(N)=O)c[nH]1 753163307 UCNOXYAPPFWQIT-UHFFFAOYSA-N 210.193 -0.197 50 20 BBGD Cc1cc(C(=O)NNC=C(C#N)C#N)n[nH]1 764411988 BLHNBSLQERQHMM-UHFFFAOYSA-N 216.204 -0.116 50 20 BBGD CN(C)C(=O)NNC(=O)[C@]1(O)CCSC1 765733989 HYVAVZDCOGWVES-QMMMGPOBSA-N 233.293 -0.843 50 20 BBGD Cn1ncc(C=NNC(=O)c2ccccn2)n1 814683635 JSCNXRJMSGZWNL-UHFFFAOYSA-N 230.231 -0.026 50 20 BBGD CC(=NNC(=O)NCC(=O)O)c1nccn1C 833385293 VNJRBCDHKDHMHV-UHFFFAOYSA-N 239.235 -0.472 50 20 BBGD COCCN(C)NC(=O)c1ncc(OC)cn1 837626527 FCDRWDMJUUZTOP-UHFFFAOYSA-N 240.263 -0.292 50 20 BBGD COCCN(C)NC(=O)Cc1cn(C)nc1C 848378488 UBXLSDUMGKDZHO-UHFFFAOYSA-N 240.307 -0.120 50 20 BBGD CC(C)NC(=O)NNC(=O)[C@@H]1CCCNC1=O 865042780 YHMDPFVCUOHFAX-SSDOTTSWSA-N 242.279 -0.749 50 20 BBGD CCOC(C)(C)C(=O)NNC(=O)c1cn[nH]c1 869384976 JEUXHUJZEIKSFP-UHFFFAOYSA-N 240.263 -0.014 50 20 BBGD CCNC(=O)N(C)NC(=O)[C@@H]1[C@@H]2CCC(=O)[C@H]21 907252814 LSBASZXUWFAMCW-BWVDBABLSA-N 239.275 -0.096 50 20 BBGD C[C@@H](O)CN(C)NC(=O)c1csc(CO)n1 910149177 HSRPMXKCQGLNDN-ZCFIWIBFSA-N 245.304 -0.407 50 20 BBGD COC(=O)[C@@H]1C[C@@H]1C(=O)NN(C)C[C@@H](C)O 910165878 PMDFMKWRZBHIDY-GJMOJQLCSA-N 230.264 -0.861 50 20 BBGD CNC(=O)NNC(=O)c1cc(C=O)c[nH]1 1117706391 FIEGETXFQHSFJW-UHFFFAOYSA-N 210.193 -0.599 50 20 BBGD O=C(NN=Cc1nccs1)C(=O)NC1CC1 1117741584 BSHYFMZMAUVZEF-UHFFFAOYSA-N 238.272 -0.128 50 20 BBGD CC(=NNC(=O)CCO)[C@@H]1CCOC1 1318922940 GIXRPZXGTWLFFO-MRVPVSSYSA-N 200.238 -0.103 50 20 BBGD O=C(c1ccon1)N1CC[C@@H](B(O)O)C1 1329670726 DIEJICNGJOZSDS-ZCFIWIBFSA-N 209.998 -0.637 50 20 BBGD CC(C)C(=O)NNC(=O)NC[C@@H]1CCN1C 1341253184 YDJZQHZAJOCMNB-QMMMGPOBSA-N 228.296 -0.323 50 20 BBGD O=C(C[C@H]1CC(=O)N1)NNc1ncccn1 1347310203 DVQRITDEXZBQTC-ZCFIWIBFSA-N 221.220 -0.802 50 20 BBGD O=C(C[C@@H]1CCC(=O)N1)NNc1ncccn1 1350441561 GEOLOGLWCSUUIH-ZETCQYMHSA-N 235.247 -0.412 50 20 BBGD CO[C@]12CCC[C@@]1(C(=O)NN)CCO2 1579133616 SONNSOQGIGSEMF-IUCAKERBSA-N 200.238 -0.090 50 20 BBGD CCNC(=O)NNC(=O)[C@H](C)C(=O)O 1589909800 YAFHXHNNPSMNNJ-BYPYZUCNSA-N 203.198 -0.943 50 20 BBGD C[C@H](NC(=O)NNC(=O)C(=O)O)C1CC1 1604292767 ZKDFBROXEGEDHN-BYPYZUCNSA-N 215.209 -0.800 50 20 BBGD CC(C)NC(=O)C(=O)NNC(=O)[C@@H](C)C(C)C 171958328 OGBODBHPCIINFO-QMMMGPOBSA-N 243.307 -0.050 50 20 BBGD CCN(CC(=O)NNC(=O)C(C)(C)O)C1CC1 192926331 DBBDNPCSYGNYTP-UHFFFAOYSA-N 243.307 -0.611 50 20 BBGD CC(C)NC(=O)NN=Cc1cnc(=N)[nH]c1 381628206 MBJCVYVEMFHUOZ-UHFFFAOYSA-N 222.252 -0.069 50 20 BBGD COCCCNCc1cccc(B(O)O)c1 585014394 QAQDVDXXMNFVNZ-UHFFFAOYSA-N 223.081 -0.508 50 20 BBGD CO[C@@H](C)[C@@H](C)NCc1ccc(B(O)O)cc1 585041744 UUVUQIHMFNDJFF-ZJUUUORDSA-N 237.108 -0.121 50 20 BBGD O=C(NCB(O)O)c1cc(O)nc2ccccc12 585057330 RDWBNVMTRLSSFB-UHFFFAOYSA-N 246.031 -0.318 50 20 BBGD CN1CCC(=NNC(=O)c2cnccn2)C1=O 761782789 ZVYTUCRYXLYPTQ-UHFFFAOYSA-N 233.231 -0.576 50 20 BBGD C[C@H]1C[C@@H](C)O[C@@H]1C(=O)NNC(=O)C(C)(C)O 800546155 AYMOKMJOGFDONE-RNJXMRFFSA-N 244.291 -0.282 50 20 BBGD COCC(=O)NN=Cc1cn(C(C)C)nn1 807976160 HFQQVGCDQKJBHE-UHFFFAOYSA-N 225.252 -0.045 50 20 BBGD CC(C)C(=O)NNC(=O)Nc1cnnn1C 809906682 POTCUFYTYVBOMK-UHFFFAOYSA-N 226.240 -0.376 50 20 BBGD C[C@H](C(=O)NN(C)C1CC1)n1cncn1 819645848 VDSIXVLQNJYXDH-SSDOTTSWSA-N 209.253 -0.036 50 20 BBGD CN(NC(=O)CNC(=O)c1ccncc1)C1CC1 819649483 DOSTVMWVJLYLMP-UHFFFAOYSA-N 248.286 -0.063 50 20 BBGD CCN(CCO)NC(=O)c1cc(F)cnc1O 823897960 OMVQUXMSGNDRTG-UHFFFAOYSA-N 243.238 -0.115 50 20 BBGD CCO[C@@H](C)C(=O)NN(C)[C@@H](C)CO 823971130 PFURGILRONBQBU-YUMQZZPRSA-N 204.270 -0.245 50 20 BBGD CCCNC(=S)NNC(=O)c1cc[nH]n1 849276232 DKWMZYIURGZOCS-UHFFFAOYSA-N 227.293 -0.071 50 20 BBGD Cc1nccnc1C(=O)NNC(=O)CN(C)C 857109584 NPJMPBLLVPUZME-UHFFFAOYSA-N 237.263 -0.892 50 20 BBGD Cn1cccc1C(=O)NNC(=O)[C@H]1C[C@@H](O)C1 873834289 BSCVAJBKPGGSSW-OCAPTIKFSA-N 237.259 -0.443 50 20 BBGD OC[C@H]1C[C@H](NCc2ccc(B(O)O)cc2)C1 897355109 DSNPJZZVUBWQQT-UMSPYCQHSA-N 235.092 -0.773 50 20 BBGD CNC(=O)NNC(=O)[C@H]1CCN1C(C)(C)C 900352722 IUTNVVWVHAEMIQ-SSDOTTSWSA-N 228.296 -0.181 50 20 BBGD CC(=O)NNC(=O)[C@H]1CCCN(C(C)=O)C1 1317703291 HQKNEIABRREODI-VIFPVBQESA-N 227.264 -0.588 50 20 BBGD NC(=O)c1ccc(NNC(=O)c2ccco2)nn1 1319074706 CHJHXTSVTYEVHP-UHFFFAOYSA-N 247.214 -0.075 50 20 BBGD CCc1cc(C(=O)NNC(=O)NC)cc(O)n1 1319888659 NJXUZLLZUSGRRF-UHFFFAOYSA-N 238.247 -0.077 50 20 BBGD O=C(NNC(=O)[C@H]1CCOC1)c1ccnnc1 1327598430 JIVLXOZAYHLXPS-QMMMGPOBSA-N 236.231 -0.726 50 20 BBGD CN1C(=O)CC[C@@H]1C(=O)NNc1ccn(C)n1 1343333390 NYZQLLNJCCXIFI-SSDOTTSWSA-N 237.263 -0.516 50 20 BBGD CC[C@](C)(O)C(=O)NNC(=O)CCCCCN 1576960453 MFGIDCQGDPBKJK-NSHDSACASA-N 245.323 -0.186 50 20 BBGD COC(=O)N(C)NC(=O)[C@](C)(C#N)CC(=O)O 1593855804 MHBHNQCZAKYCGA-VIFPVBQESA-N 243.219 -0.280 50 20 BBGD O=C(NNC(=O)C1(C(=O)O)CC1)c1cn[nH]c1 1601553093 UCTAPFATOBHZCE-UHFFFAOYSA-N 238.203 -0.965 50 20 BBGD CN(C)CC(=O)NNC(=O)COC(C)(C)C 183527020 RCFWDLVWZXRAJG-UHFFFAOYSA-N 231.296 -0.490 50 20 BBGD COC(=O)N(C)NC(=O)CN1CCSC1=O 286365011 NFGIEZYKDFCXNL-UHFFFAOYSA-N 247.276 -0.115 50 20 BBGD COc1ncnc(N)c1C=NNC(N)=O 308872367 ZMXOSHSGSFABIX-UHFFFAOYSA-N 210.197 -0.930 50 20 BBGD CO[C@@H]1CN(C(=O)CCCl)C[C@@H]1O 409430744 IXSNECFDGFZWOM-NKWVEPMBSA-N 207.657 -0.167 50 20 BBGD CCCN1C[C@H](C(=O)NNC(=O)OC)CC1=O 496769644 GJPOAGGFECNJJE-SSDOTTSWSA-N 243.263 -0.368 50 20 BBGD C[C@@H](O)C1(NC(=O)c2ccc(B(O)O)cc2)CC1 585006322 TZUUPORESLTJLN-MRVPVSSYSA-N 249.075 -0.990 50 20 BBGD C[C@@H]1C[C@H](NCc2ccc(B(O)O)o2)CCO1 585032072 PGCDYDHSYHRIIL-RKDXNWHRSA-N 239.080 -0.384 50 20 BBGD CCc1noc2ncc(C(=O)NCB(O)O)cc12 585062544 UIUGKRUYEZCHFL-UHFFFAOYSA-N 249.035 -0.473 50 20 BBGD O=C(Cc1cc[nH]n1)NNC(=O)[C@H]1CCCO1 730102476 FYTHSJVPOHCECT-MRVPVSSYSA-N 238.247 -0.721 50 20 BBGD CCCNC(=O)NNC(=O)C[C@H]1CCC(=O)N1 823950337 IHQJTXFAVSMVLH-SSDOTTSWSA-N 242.279 -0.605 50 20 BBGD CCOCC(=O)NNC(=O)N[C@H]1CO[C@@H](C)C1 828427297 LSJFXLDZEAHXPT-JGVFFNPUSA-N 245.279 -0.469 50 20 BBGD Cc1cc(C(=O)NNC(=O)[C@@H](O)C2CC2)n[nH]1 831418533 PGLDIBKIHAMZCX-QMMMGPOBSA-N 238.247 -0.750 50 20 BBGD C/C=C/C=C\C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862450086 WQZDRGFYDKNKSL-NYMSKSTHSA-N 237.259 -0.455 50 20 BBGD Cc1cc(=NNC(=O)CS(C)(=O)=O)cc[nH]1 862510736 RQDLWHUUJUGYJG-UHFFFAOYSA-N 243.288 -0.700 50 20 BBGD CC(=O)NNC(=O)C(C)(C)CN1CCOCC1 873740026 XFUXBOLVSRROBU-UHFFFAOYSA-N 243.307 -0.488 50 20 BBGD C#CCCCC(=O)NNC(=O)[C@@H](C)N(C)C 887151990 RJICAYDOSCPQNO-SECBINFHSA-N 225.292 -0.113 50 20 BBGD Cc1c(CC(=O)NN(C)C[C@@H](C)O)cnn1C 910148810 XZGBWVBVGMPQFE-MRVPVSSYSA-N 240.307 -0.385 50 20 BBGD N#CC(C#N)=CNNC(=O)CN1CCCC1=O 1317730440 RZSDKMWPSCGHRX-UHFFFAOYSA-N 233.231 -0.839 50 20 BBGD CCNC(=O)NNC(=O)c1cc(COC)on1 1318729197 DSFLEGMCYKJAKF-UHFFFAOYSA-N 242.235 -0.215 50 20 BBGD CC(C)NC(=O)NNC(=O)c1cnc[nH]1 1318731809 QSDCGQUHYDDHEM-UHFFFAOYSA-N 211.225 -0.238 50 20 BBGD Cn1ccnc(NNC(=O)C(C)(C)C#N)c1=O 1330776319 FIWCMCDVLVULSP-UHFFFAOYSA-N 235.247 -0.227 50 20 BBGD COCCONC(=O)NNc1cccnn1 1339473838 AHNIDAXTRLSRPF-UHFFFAOYSA-N 227.224 -0.319 50 20 BBGD C[C@@H](O)CN(C)NC(=O)CNC1CC1 1574073747 KGXCVKDKOQGBTD-SSDOTTSWSA-N 201.270 -0.918 50 20 BBGD C#CCCCC(=O)NNC(=O)COCC 192118119 VLROWZLXPOWDGE-UHFFFAOYSA-N 212.249 -0.026 50 20 BBGD Cn1cc(C(=O)NNC(=O)C2(C)COC2)cn1 272921808 QLQCCCPPDSBXML-UHFFFAOYSA-N 238.247 -0.782 50 20 BBGD CN(NC(=O)Cn1cc(Cl)cn1)C(N)=O 288293982 DJZUNJMIDNJASM-UHFFFAOYSA-N 231.643 -0.422 50 20 BBGD CCOC(=O)NNC(=O)Cn1cc(C)cn1 491879008 UXQYHHYMGOMEEH-UHFFFAOYSA-N 226.236 -0.031 50 20 BBGD C[C@H](NCc1ccc(B(O)O)o1)[C@@H]1CCCO1 585018563 YNWDGCNZBCMXRE-WPRPVWTQSA-N 239.080 -0.384 50 20 BBGD CC[C@H](C)[C@@H](O)CNCc1ccc(B(O)O)o1 585023628 KFQGMLASROQIDE-WPRPVWTQSA-N 241.096 -0.544 50 20 BBGD C[C@H]1COCC[C@@H]1NCc1ccc(B(O)O)o1 585038214 WKZBEAMMWCVWKT-WPRPVWTQSA-N 239.080 -0.526 50 20 BBGD OCCCCNCc1ccc(B(O)O)cc1 585039423 UYYXLJBYGSPWKH-UHFFFAOYSA-N 223.081 -0.772 50 20 BBGD C[C@@H]1CC[C@H](CNCc2ccc(B(O)O)o2)O1 585045870 ITZPIIINGAYWFT-RKDXNWHRSA-N 239.080 -0.384 50 20 BBGD NC(=O)CCCC(=O)NNC(=O)C1CCCC1 786938439 FWJCGCICJPQESO-UHFFFAOYSA-N 241.291 -0.020 50 20 BBGD COCCC(=O)NNC(=O)[C@@H]1CCO[C@H]1C 843643798 AIXYQSOFPHBBBS-JGVFFNPUSA-N 230.264 -0.405 50 20 BBGD CN(C)CC(=O)NNC(=S)NCC1CCC1 855091078 ALNHKHKOBAMAPR-UHFFFAOYSA-N 244.364 -0.157 50 20 BBGD CC[C@H](CO)C(=O)NNC(=O)c1cc[nH]n1 855357075 ZNBHFORGXCOAOM-ZCFIWIBFSA-N 226.236 -0.811 50 20 BBGD CCC[C@@H](OC)C(=O)NNC(=O)c1cn[nH]c1 862469922 VUBLQIWZVOZHRG-MRVPVSSYSA-N 240.263 -0.014 50 20 BBGD CC(=O)NCC(=O)NNc1cccc(C)n1 862524970 CZDDJXQJQXUMJG-UHFFFAOYSA-N 222.248 -0.031 50 20 BBGD CNC(=O)CCCNC(=O)NN(C)C(=O)OC 875133805 SESPNWUJAHIGRH-UHFFFAOYSA-N 246.267 -0.575 50 20 BBGD C#CCCCC(=O)NNC(=O)[C@H](C)OCC#C 887148912 BKOWJQUJEWIUOD-JTQLQIEISA-N 236.271 -0.024 50 20 BBGD CO[C@@]1(C(=O)NNC(C)=O)CCSC1 895477249 YPIPGUYUVGXGML-QMMMGPOBSA-N 218.278 -0.324 50 20 BBGD CCC(=O)NN=Cc1cc(C(=O)O)nn1C 901129367 AGLUKTWTOGWJIR-UHFFFAOYSA-N 224.220 -0.022 50 20 BBGD CNC(=O)NNC(=O)c1c(C2CC2)cnn1C 1330794190 OIHSFYSBJYIFGK-UHFFFAOYSA-N 237.263 -0.129 50 20 BBGD Cc1nc[nH]c1C=NNC(=O)CN1CCCC1=O 1341144108 HARAIHMNKPSQIV-UHFFFAOYSA-N 249.274 -0.209 50 20 BBGD O=C(CCO)NN=C1CC(=O)N2CCCC[C@@H]12 1344573423 BMKQPWYRWRICQD-VIFPVBQESA-N 239.275 -0.374 50 20 BBGD Cc1ccncc1C=NNC(=O)C(=O)O 1600604542 KPHPZERUZYEDNM-UHFFFAOYSA-N 207.189 -0.075 50 20 BBGD O=C(NCCC(F)F)NNC(=O)C(=O)O 1608437107 PACUUAQXINOWNU-UHFFFAOYSA-N 225.151 -0.943 50 20 BBGD CN1CCN(S(=O)(=O)CCl)CC1=O 82775030 PGKXLKVQLCWUGV-UHFFFAOYSA-N 226.685 -0.714 50 20 BBGD COc1ccc(C=NNC(=O)CO)cc1O 252603388 FQAXVRMVGIIZKO-UHFFFAOYSA-N 224.216 -0.157 50 20 BBGD C[C@@H](C(=O)NNC(=O)C(C)(C)O)n1cccn1 277977697 OBDJNMZVPNEYHC-ZETCQYMHSA-N 240.263 -0.638 50 20 BBGD Cc1ccn(CC(=O)NNC(=O)C2CC2)c(=O)c1 279145332 YXPMJUYXUBYRGO-UHFFFAOYSA-N 249.270 -0.286 50 20 BBGD CCOC(=O)/C(C#N)=C/N[C@H]1COC[C@@H]1OC 290667182 YJOZGGVOFPCKQR-VCQGXKKCSA-N 240.259 -0.040 50 20 BBGD COC(=O)NNC(=O)CS(=O)(=O)C(C)C 495367982 WBVTVLVPPJGPRE-UHFFFAOYSA-N 238.265 -0.803 50 20 BBGD CO[C@@]1(C)C[C@H]1NC(=O)c1cccc(B(O)O)c1 585007970 DUXAIYUWAOIELG-PWSUYJOCSA-N 249.075 -0.726 50 20 BBGD CCNC(=O)NNC(=O)c1cccc2nn[nH]c12 783576830 POYNCPJFHFFYEG-UHFFFAOYSA-N 248.246 -0.078 50 20 BBGD CC(C)(C(=O)NNC(=O)CO)C(F)F 792658264 QMZZXLZYWUPNHV-UHFFFAOYSA-N 210.180 -0.583 50 20 BBGD COc1cccnc1CC(=O)NNC(C)=O 798272576 WXSZJAKTBKIJHT-UHFFFAOYSA-N 223.232 -0.200 50 20 BBGD C[C@@H](CO)N(C)NC(=O)c1cncc(O)c1 823929284 XKMUJEJLEFIUOZ-ZETCQYMHSA-N 225.248 -0.255 50 20 BBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1cn[nH]c1 843971634 DBTSODFZIMJKJX-SVRRBLITSA-N 238.247 -0.404 50 20 BBGD CN(C)CC(=O)NNC(=O)[C@@H]1CCC(=O)C1 844132056 CWVOAOPTBGBSON-SSDOTTSWSA-N 227.264 -0.935 50 20 BBGD C[C@H](O)CN(C)NC(=O)/C=C/[C@@H]1CCOC1 910144771 MNERTKLKUBIJOO-FCVPOFOPSA-N 228.292 -0.077 50 20 BBGD CCC1(C(=O)NN(C)C[C@H](C)O)COC1 910165405 IENNLYYIYUYQHE-QMMMGPOBSA-N 216.281 -0.243 50 20 BBGD CC[C@](C)(O)C(=O)NNC(=O)C(C)(C)O 935562796 IERVTWNULUVETI-VIFPVBQESA-N 218.253 -0.934 50 20 BBGD O=C(NNC(=O)[C@H]1C[C@@H]1F)NC1CC1 1263712398 CGMLHHXLACKWHH-WDSKDSINSA-N 201.201 -0.163 50 20 BBGD CC(C)NC(=O)NNC(=O)c1ccncn1 1320459482 NTQPPMYBCFKSER-UHFFFAOYSA-N 223.236 -0.171 50 20 BBGD CNC(=O)NNC(=O)c1cncc(F)c1 1322517048 DJUNJGGDEATFMD-UHFFFAOYSA-N 212.184 -0.206 50 20 BBGD Cc1conc1C(=O)NNC(=O)N(C)C 1351755445 AKGQBFRSZONSRF-UHFFFAOYSA-N 212.209 -0.101 50 20 BBGD O=C(NCCC1CC=CC1)NNC(=O)C(=O)O 1601491280 INYAEKWGFYWLHD-UHFFFAOYSA-N 241.247 -0.242 50 20 BBGD O=C(NNC(=O)C(=O)O)Nc1cccnc1 1608477999 QZAWATVNMKXYKN-UHFFFAOYSA-N 224.176 -0.681 50 20 BBGD N#CC1=CCN(C(=O)c2n[nH]c(O)n2)CC1 1611059581 SRRUZOJNQUCNDR-UHFFFAOYSA-N 219.204 -0.194 50 20 BBGD CN(C)CC(=O)NNC(=O)[C@H](F)C(F)(F)F 290603377 XWYWJZYUPULUKF-YFKPBYRVSA-N 245.176 -0.404 50 20 BBGD O=S(=O)(CCl)N1CC[C@@H](O)[C@H](CO)C1 307332241 ACCIYCOEBBFUAZ-NKWVEPMBSA-N 243.712 -0.812 50 20 BBGD CC(C)(O)C(=O)Nc1cccc(B(O)O)c1 584912348 DVTOLTOVPXRWDG-UHFFFAOYSA-N 223.037 -0.924 50 20 BBGD CCOc1ncccc1C(=O)NCB(O)O 585061136 LTXTWQWLJIYPNW-UHFFFAOYSA-N 224.025 -0.778 50 20 BBGD NC(=O)NN=C1CCN(CCCC(=O)O)CC1 739169703 KUJSDOOOCPFCFG-UHFFFAOYSA-N 242.279 -0.029 50 20 BBGD CN(C)C(=O)NNC(=O)CCN1CCOCC1 751386061 FJVDDOQYXBHCDX-UHFFFAOYSA-N 244.295 -0.989 50 20 BBGD CC(=O)NNC(=O)N=c1ccnc2n(C)[nH]cc1-2 806487959 LDAKLBMDMJHNCF-UHFFFAOYSA-N 248.246 -0.486 50 20 BBGD CC(=NNC(=O)c1cnccn1)c1cnnn1C 814793929 RCFPQYPCFXVFBT-UHFFFAOYSA-N 245.246 -0.241 50 20 BBGD CCN(CCO)NC(=O)c1cnnn1CC 823889371 UGEMXCANYPQQDF-UHFFFAOYSA-N 227.268 -0.743 50 20 BBGD COCCCNC(=O)NNC(=O)C(C)(C)CO 847393096 IASRRXYDALHNET-UHFFFAOYSA-N 247.295 -0.628 50 20 BBGD CSC(C)(C)C(=O)NNC(=O)CN(C)C 857105498 MEWIOAKDBIXEKX-UHFFFAOYSA-N 233.337 -0.163 50 20 BBGD C[C@@H](O)CN(C)NC(=O)C1=COCC1 910166113 SUHVDUQHCNCNLZ-SSDOTTSWSA-N 200.238 -0.366 50 20 BBGD CCC(=O)N[C@@H](C)C(=O)NN(C)C[C@@H](C)O 910170345 KIIJOVNALKGKFO-SFYZADRCSA-N 231.296 -0.755 50 20 BBGD CC(=NNC(=O)CO)C1CCS(=O)(=O)CC1 1116689005 DJTCXTZKPHXGCT-UHFFFAOYSA-N 248.304 -0.704 50 20 BBGD CN(N=C1CCCS(=O)(=O)C1)C(N)=O 1319664812 BPMDJXSPGIEBCU-UHFFFAOYSA-N 219.266 -0.439 50 20 BBGD COC(=O)COCCNS(=O)(=O)CCl 1328802270 NOGBAKAPKDMLEC-UHFFFAOYSA-N 245.684 -0.708 50 20 BBGD C=C[C@H](COC)NCc1ccc(B(O)O)cc1 1329639979 OZYBDCYXVYKJMP-GFCCVEGCSA-N 235.092 -0.343 50 20 BBGD CC(C)NC(=S)NNC(=O)Cc1nc[nH]n1 1331902518 WAXCPSMRLCUMLK-UHFFFAOYSA-N 242.308 -0.749 50 20 BBGD CN(C)C(=O)NNC(=O)C1CCNCC1 1574080637 FYFZZGLXFHVFNU-UHFFFAOYSA-N 214.269 -0.712 50 20 BBGD CC(=O)NNC(=O)c1cc(C(=O)O)on1 1589150632 YNRAUHBNQCCURN-UHFFFAOYSA-N 213.149 -0.846 50 20 BBGD Cc1cccnc1NNC(=O)COCC(=O)O 1600592298 FBJNCKXBKCADFM-UHFFFAOYSA-N 239.231 -0.066 50 20 BBGD Cc1cnc(NC(=O)NNC(=O)CCO)s1 155554537 ULHJCABITFJRFC-UHFFFAOYSA-N 244.276 -0.013 50 20 BBGD C#CCCCC(=O)NNC(=O)CN(C)C 192344736 MWRDXHCFSCGCJF-UHFFFAOYSA-N 211.265 -0.501 50 20 BBGD COCC[C@@](C)(O)CNS(=O)(=O)CCl 230278259 XOHAZKKJIUKGPK-SSDOTTSWSA-N 245.728 -0.110 50 20 BBGD CCC(CC)NC(=O)C(=O)NNC(=O)COC 265842381 BAWXOWUGRQQIHJ-UHFFFAOYSA-N 245.279 -0.915 50 20 BBGD CC(=O)C1(C(=O)NNC(=O)[C@@H]2CCCO2)CC1 294741185 VENIUALATPOYRM-QMMMGPOBSA-N 240.259 -0.318 50 20 BBGD COC(=O)NNC(=O)c1cnns1 306511965 OKCKOVHGIDDCAB-UHFFFAOYSA-N 202.195 -0.461 50 20 BBGD CCO/C=C(/C#N)C(=O)NOCCO 490702328 YQNMNZLXZQCWRJ-SREVYHEPSA-N 200.194 -0.530 50 20 BBGD CCNC(=O)CC(=O)NN(C)C(=O)OC 495824627 JEXSICWTBRXWSS-UHFFFAOYSA-N 217.225 -0.758 50 20 BBGD N#CCCCCNC(=O)c1cccc(B(O)O)c1 584941470 CWXWTLKECOZTJY-UHFFFAOYSA-N 246.075 -0.210 50 20 BBGD CC[C@H](CCO)NCc1ccc(B(O)O)cc1 585025497 VVVMREPJCLNDMA-GFCCVEGCSA-N 237.108 -0.383 50 20 BBGD N#CC1(CNCc2ccc(B(O)O)o2)CCC1 585047347 ARYGXQJQFZXLKM-UHFFFAOYSA-N 234.064 -0.257 50 20 BBGD O=C(O)c1ccc(C(=O)NCB(O)O)cc1 585060937 IDMMDXAPIIHBNQ-UHFFFAOYSA-N 222.993 -0.873 50 20 BBGD NC(=O)c1cccc(CN2CC[C@@H](B(O)O)C2)c1 585076005 JLWTYDRAXFMUCN-LLVKDONJSA-N 248.091 -0.166 50 20 BBGD CC(=O)NNC(=O)[C@@H](NC(=O)O)C(C)C 736155517 HEBFUAJXAJLRFV-LURJTMIESA-N 217.225 -0.554 50 20 BBGD CCN(CC(=O)NNC(=O)N(C)C)C1CC1 750857434 WPGMHMGZQVGPCO-UHFFFAOYSA-N 228.296 -0.227 50 20 BBGD O=C(NNc1ncccn1)[C@]1(O)CCSC1 765601770 FAYKRRCQOQQNQZ-VIFPVBQESA-N 240.288 -0.212 50 20 BBGD C=CCCOCC(=O)NNC(=O)C(C)(C)O 768245358 RUFACIZHCZGOAC-UHFFFAOYSA-N 230.264 -0.503 50 20 BBGD Cn1ncc(C=NNC(=O)c2cnccn2)n1 814793125 CZELHWWFSKJQRX-UHFFFAOYSA-N 231.219 -0.631 50 20 BBGD Cc1cc(NNC(=O)[C@H]2CC[C@H]2C(N)=O)ncn1 857126933 HFNJDRDXFVQUOT-SFYZADRCSA-N 249.274 -0.260 50 20 BBGD CC(=NNC(=O)[C@H]1CCC(=O)N1)c1c[nH]nc1C 863149792 FVXRYFBRRIBIGX-SECBINFHSA-N 249.274 -0.163 50 20 BBGD CC[C@H](C)[C@H](NNC(=O)COC)C(=O)OC 905768943 YAMWKRBXUJOUHR-CBAPKCEASA-N 232.280 -0.159 50 20 BBGD C[C@H](O)CN(C)NC(=O)[C@H](O)C(C)(C)C 910156215 QYOQSJVJSHNRQQ-YUMQZZPRSA-N 218.297 -0.263 50 20 BBGD CC[C@@](C)(O)C(=O)NNC(=O)c1ccc[nH]1 929424605 URALNWFMYQLEFM-SNVBAGLBSA-N 225.248 -0.063 50 20 BBGD NC(=O)[C@H]1CC[C@H](CNC(=O)CCl)O1 1253967858 DAHSWRXFNNEEHM-PHDIDXHHSA-N 220.656 -0.626 50 20 BBGD CCc1cc(C(=O)NNC(=O)NC)n[nH]1 1317992764 MSPMELMOZJXODQ-UHFFFAOYSA-N 211.225 -0.454 50 20 BBGD CC[C@@H](C)[C@H](C)NC(=O)NNC(=O)C(=O)OC 1318940956 DMLTXWNCNTVDKI-RQJHMYQMSA-N 245.279 -0.076 50 20 BBGD C=CCn1cc(C(=O)NN(C)C(N)=O)nn1 1328561949 IIOJSEYSIUZUSB-UHFFFAOYSA-N 224.224 -0.881 50 20 BBGD O=C(CO)NN=Cc1ccc(C(=O)O)c(F)c1 1776052626 BPOYGXQYGAIXFD-UHFFFAOYSA-N 240.190 -0.034 50 20 BBGD Cn1ncc(C(=O)NNC(=O)CC2CC2)n1 294046465 FJQUAEGSRCZXNX-UHFFFAOYSA-N 223.236 -0.624 50 20 BBGD N#C[C@H]1CCC[C@H]1NCc1ccc(B(O)O)o1 585034644 KVQPDGHIOZXWJV-PSASIEDQSA-N 234.064 -0.259 50 20 BBGD OB(O)c1cccc(CN[C@H]2CCCC[C@@H]2O)c1 585036141 AJHKCVYMGLEKRI-STQMWFEESA-N 249.119 -0.241 50 20 BBGD CC[C@@H](C)CS(=O)(=O)N1CC[C@@H](B(O)O)C1 585059074 YPWKYKBNOBOVAN-RKDXNWHRSA-N 249.141 -0.089 50 20 BBGD O=C(CN1CCc2ccccc21)NCB(O)O 585061165 MDQSOBJOODGKOE-UHFFFAOYSA-N 234.064 -0.823 50 20 BBGD CCO[C@H](CC)C(=O)N1CC[C@H](B(O)O)C1 585072143 IZYXQEPVQJYAKS-DTWKUNHWSA-N 229.085 -0.123 50 20 BBGD CCNC(=O)NNC(=O)C1(C(=O)OC)CC1 767325181 WNEHNMBYVRPFNG-UHFFFAOYSA-N 229.236 -0.710 50 20 BBGD O=C1CC[C@H](C(=O)NN=c2cc[nH]cc2)N1 781021119 IMBFKOGSMNVONH-MRVPVSSYSA-N 220.232 -0.775 50 20 BBGD CCN(CCO)NC(=O)Cn1nccc1C 823898283 VBHJSPSBESQBLK-UHFFFAOYSA-N 226.280 -0.463 50 20 BBGD NNC(=O)[C@@H]1CC(=O)N[C@@H]2CCCC[C@H]21 852771973 FBAJMDVDJQISKV-XLPZGREQSA-N 211.265 -0.329 50 20 BBGD O=C(NNC(=O)[C@@H]1CCCCO1)c1ncc[nH]1 854683844 VGMRAGCKTOPHCD-ZETCQYMHSA-N 238.247 -0.260 50 20 BBGD C[C@H](O)CN(C)NC(=O)c1nccn2ccnc12 910144276 HAPXZXJHVJAZCL-QMMMGPOBSA-N 249.274 -0.313 50 20 BBGD CNC(=O)NNC(=O)Cc1cccnc1 1321564605 WOBDRJDCMSDJLL-UHFFFAOYSA-N 208.221 -0.416 50 20 BBGD COC(=O)N(C)N=Cc1cn(CC(=O)O)nn1 1323517019 AYFNMQVNOGKCDZ-UHFFFAOYSA-N 241.207 -0.605 50 20 BBGD Cc1oc(C)c(S(N)(=O)=O)c1C(=O)NN 1326627352 PJCXKUDWKJQTFW-UHFFFAOYSA-N 233.249 -0.853 50 20 BBGD CO[C@@H]1CCC[C@@H]1C(=O)NNC(C)=O 1336748553 HILNZOLCUSHNBN-JGVFFNPUSA-N 200.238 -0.031 50 20 BBGD Cc1noc(CCC(=O)NN(C)[C@@H](C)CO)n1 1352229161 HXIVZQIMLKDIDW-ZETCQYMHSA-N 242.279 -0.346 50 20 BBGD C=C[C@H](NNC(=O)[C@@H]1CCO[C@H]1C)C(=O)O 1609272419 PPZFWYOLOKZFSZ-RNJXMRFFSA-N 228.248 -0.329 50 20 BBGD CCO[C@@H]1C[C@H]1C(=O)NNC(=O)N(C)C 194915579 LNYWKVPBBQEDKG-RNFRBKRXSA-N 215.253 -0.286 50 20 BBGD COCCN(C)NC(=O)c1cnn2cccnc12 288469457 QUSIUIJAKBYXBG-UHFFFAOYSA-N 249.274 -0.048 50 20 BBGD COCCCNC(=O)/C(C#N)=C\c1cnnn1C 490726685 SWTSRGBAGGNAGV-TWGQIWQCSA-N 249.274 -0.125 50 20 BBGD CN(C)c1nccc(N2CC[C@H](B(O)O)C2)n1 585074382 YECRGHDHPQJQBG-QMMMGPOBSA-N 236.084 -0.404 50 20 BBGD COc1nccc(CN2CC[C@H](B(O)O)C2)n1 585077771 WSJCHPNKGUVWKX-QMMMGPOBSA-N 237.068 -0.466 50 20 BBGD CO[C@@H]1CCOC[C@H]1NS(=O)(=O)CCl 724847644 BXJYLLHWWAMDLE-RNFRBKRXSA-N 243.712 -0.094 50 20 BBGD C[C@@H](C(=O)NNC(=O)C(=O)NC1CC1)C1CC1 747905674 JBGTWGOGQCKVDD-ZCFIWIBFSA-N 239.275 -0.542 50 20 BBGD CS[C@H](C)CCC(=O)NNC(=O)CO 753439533 ZYNMQNHWTMHQDA-ZCFIWIBFSA-N 220.294 -0.342 50 20 BBGD Cn1nc(C(=O)NNC(=O)CO)cc1C1CC1 753442538 HQBGVGVXHPUJMO-UHFFFAOYSA-N 238.247 -0.949 50 20 BBGD COCCn1cc(C=NNC(=O)COC)cn1 761821680 LWZKDPSXVSYVEA-UHFFFAOYSA-N 240.263 -0.374 50 20 BBGD O=C(CO)NNC(=O)c1cc(C2CC2)no1 799843714 ICOZWKKNEDNMMV-UHFFFAOYSA-N 225.204 -0.695 50 20 BBGD Cn1ccc(C=NNC(=O)C(C)(C)O)n1 814910063 QCFOTESVEVFMTF-UHFFFAOYSA-N 210.237 -0.359 50 20 BBGD Cn1nccc1C=NNC(=O)Cc1cc[nH]n1 814954061 URTDXKNFBYOIHJ-UHFFFAOYSA-N 232.247 -0.164 50 20 BBGD COC(=O)[C@H](C)CNS(=O)(=O)CCl 820794713 HOOCWVNMXKKKBF-RXMQYKEDSA-N 229.685 -0.089 50 20 BBGD CCO[C@@H]1CC(=NNC(=O)CO)[C@H]1OC 841632955 YEBOFNUMZFLYRN-VXNVDRBHSA-N 216.237 -0.725 50 20 BBGD O=C(CO)NNC(=O)C1CC2(CCC2)C1 844138832 YQASGXNIAVFVMG-UHFFFAOYSA-N 212.249 -0.294 50 20 BBGD C[C@@H](O)CN(C)NC(=O)c1cn(C)cn1 910166760 PHHHXLOOBGOSLT-SSDOTTSWSA-N 212.253 -0.623 50 20 BBGD CN(NC(=O)c1ccn(CC(F)F)n1)C(N)=O 1116859862 OUTCNEVADTZEJS-UHFFFAOYSA-N 247.205 -0.197 50 20 BBGD CNC(=O)CCCC(=O)NNC(C)=O 1255344189 ICUNXBLOFMTXMN-UHFFFAOYSA-N 201.226 -0.930 50 20 BBGD C[C@@]1(C(=O)NNc2cccnn2)CCNC1=O 1330246676 AYVSZZUIGWKQPO-SNVBAGLBSA-N 235.247 -0.554 50 20 BBGD O=C1CC[C@H](C(=O)NN=Cc2cnc[nH]2)N1 1331821403 MXUUMUZLOIJFSL-SSDOTTSWSA-N 221.220 -0.862 50 20 BBGD CN(C)C(=O)NNC(=O)c1cc(O)n(C)n1 1350613093 PVGBKMNUICZOTR-UHFFFAOYSA-N 227.224 -0.958 50 20 BBGD CC(=O)NNC(=O)c1cc(-c2nn[nH]n2)[nH]c1C 1588869919 LYDOLHMVTSHQII-UHFFFAOYSA-N 249.234 -0.716 50 20 BBGD COC(=O)NNC(=O)C[C@@H]1CCCO1 185420172 OKKOOTYJZRJZBV-LURJTMIESA-N 202.210 -0.057 50 20 BBGD C=CCNC(=S)NNC(=O)[C@@H]1COCCO1 266661279 IJMKFDUODRBHCU-ZETCQYMHSA-N 245.304 -0.917 50 20 BBGD CCN(CC)CCSCC(=O)NCB(O)O 585061334 PXGKFEAQNGALAB-UHFFFAOYSA-N 248.157 -0.810 50 20 BBGD O=C(NNc1cccnn1)C1=COCCO1 736702403 WKDDVAOUNPTFGJ-UHFFFAOYSA-N 222.204 -0.192 50 20 BBGD O=C(O)CSCC(=O)NNc1ncccn1 740485292 HUPDDMLXFLTUEQ-UHFFFAOYSA-N 242.260 -0.263 50 20 BBGD CC1(C)C(=NNC(=O)C(N)=O)[C@H]2CCCO[C@H]21 743421241 TWTVCOZHRQCDLV-HTRCEHHLSA-N 239.275 -0.221 50 20 BBGD CO[C@@H](C)CC(=O)NNC(=O)N(C)C 749599029 HTWOOXFJUZLNAQ-LURJTMIESA-N 203.242 -0.286 50 20 BBGD C#CCNC(=S)NNC(=O)COCC 758233294 DZPLZLJOEWMKCE-UHFFFAOYSA-N 215.278 -0.849 50 20 BBGD COCCOCCC(=O)NN(C)[C@H](C)CO 823965913 VJHOUYMQDVIJBZ-SECBINFHSA-N 234.296 -0.617 50 20 BBGD C[C@H](CC(=O)O)C(=O)NNC(=O)c1ccc[nH]1 827304375 SKAVXHNICBVWDP-ZCFIWIBFSA-N 239.231 -0.114 50 20 BBGD CCNC(=O)N(C)NC(=O)Cn1nccc1C 860667914 LNUXCBCRHHJVAT-UHFFFAOYSA-N 239.279 -0.116 50 20 BBGD CO[C@@H](C=NNC(=O)[C@@H]1CCC(=O)N1)C1CC1 863151732 SGJGKOXSKVNLBF-IUCAKERBSA-N 239.275 -0.208 50 20 BBGD CCO[C@H](C)C(=O)NNC(=O)NC1CC1 920823561 WOBJOQONDZDBES-ZCFIWIBFSA-N 215.253 -0.096 50 20 BBGD CCCNC(=O)NNC(=O)[C@@H]1CCC(=O)NC1 921038347 UZTRAUZUQITGEP-SSDOTTSWSA-N 242.279 -0.747 50 20 BBGD Cn1nccc1C(=O)NNC(=O)NC1CC1 1318099412 WKMFSZUNJAPYRB-UHFFFAOYSA-N 223.236 -0.474 50 20 BBGD O=C(NNc1ccnc(F)c1)C(=O)NC1CC1 1320070925 QTSXOVGCWAKROD-UHFFFAOYSA-N 238.222 -0.058 50 20 BBGD CCC(=O)NNS(=O)(=O)c1cnc[nH]1 1323041476 SEQNFWWLMPRHMB-UHFFFAOYSA-N 218.238 -0.871 50 20 BBGD COc1cc(C(=O)NNc2cccnn2)nn1C 1324121773 VIWCQGHSMPJEGS-UHFFFAOYSA-N 248.246 -0.024 50 20 BBGD CNC(=O)NNC(=O)c1cc(C)nc(NC)n1 1327206531 UQDOUVNDJAYNBJ-UHFFFAOYSA-N 238.251 -0.599 50 20 BBGD CC(C)NC(=O)C(=O)NNC(=O)c1cc[nH]c1 1338769455 MOOKVRIKKRCPQM-UHFFFAOYSA-N 238.247 -0.700 50 20 BBGD Cc1nn(C)cc1C1=NO[C@@H](C(=O)NN)C1 1341633348 CDTICFMTEIIOKI-MRVPVSSYSA-N 223.236 -0.789 50 20 BBGD COCC#CC(=O)NNC(=O)[C@H]1CCO[C@H]1C 1351035665 UOEDAAGSBLIZHU-IUCAKERBSA-N 240.259 -0.791 50 20 BBGD Nc1c(F)c(F)c(F)c(F)c1B(O)O 2090611331 NDGUMEQRENKJPA-UHFFFAOYSA-N 208.907 -0.495 50 20 BBGD CN(NC(=O)[C@@H]1CSCCS1)C(N)=O 272145168 FBWLDFRSLSIXJQ-YFKPBYRVSA-N 235.334 -0.123 50 20 BBGD CN(NC(=O)C1(O)CCCC1)C(N)=O 272154486 GQUTUXCTCQSBOK-UHFFFAOYSA-N 201.226 -0.667 50 20 BBGD CCO/C=C(\C#N)C(=O)NN1CCCNC1=O 272910116 HRVZRRDTPWIUQH-BQYQJAHWSA-N 238.247 -0.123 50 20 BBGD CC(C)(O)C(=O)NNC(=O)NCC(F)(F)F 281288872 QPMFHXORMXUNSS-UHFFFAOYSA-N 243.185 -0.350 50 20 BBGD O=C(NNc1ncccn1)C1CCNCC1 309570160 MPIMSWWLGCHZFQ-UHFFFAOYSA-N 221.264 -0.081 50 20 BBGD O=C(CCO)NN=Cc1ccc(C(=O)O)[nH]1 381045444 FOEYHOYXYWPCPA-UHFFFAOYSA-N 225.204 -0.455 50 20 BBGD O=C(c1ccc(B(O)O)cc1)N1CC[C@@H]2C[C@@H]2C1 585005728 LLZJRCXRDQICLF-GHMZBOCLSA-N 245.087 -0.152 50 20 BBGD OB(O)c1ccccc1CNCCOCC1CC1 585024592 YDHYVBNQNYFJGQ-UHFFFAOYSA-N 249.119 -0.117 50 20 BBGD CN(NC(=O)COc1cccnc1)C(N)=O 770439333 BVBHEJWSZSSZFY-UHFFFAOYSA-N 224.220 -0.498 50 20 BBGD C[C@@H]1C[C@@H](C(=O)NN(C)C(N)=O)CO1 784461052 NJNWJIYFWNYLFZ-PHDIDXHHSA-N 201.226 -0.547 50 20 BBGD CCN(CCO)NC(=O)c1cn(C)cn1 823865075 HXJVTHSARNSVOY-UHFFFAOYSA-N 212.253 -0.621 50 20 BBGD CCN(CC)CC(=O)NN(C)[C@H](C)CO 823952983 WCOTXUVELBQOJY-SECBINFHSA-N 217.313 -0.328 50 20 BBGD O=C(Cc1ccncc1)NNC(=O)[C@@H](O)C1CC1 829560940 KBTRZXWIAMZGAB-NSHDSACASA-N 249.270 -0.458 50 20 BBGD C[C@@H]1O[C@H](C)CC1=NNC(=O)C(=O)NC1CC1 834932684 IGTJZRNNQCYLEP-RQJHMYQMSA-N 239.275 -0.066 50 20 BBGD COCCN(C)NC(=O)c1c[nH]cc(C)c1=O 837627624 XIOSHROLLUCXFR-UHFFFAOYSA-N 239.275 -0.094 50 20 BBGD C[C@@H]1[C@H](C(=O)NNC(=O)C(C)(C)O)CCN1C 843866022 WAYOMWGTRDWOGO-HTQZYQBOSA-N 243.307 -0.755 50 20 BBGD C#CCCCC(=O)NNC(=O)[C@@H](C)n1cncn1 887140735 QDULQXWXLFVEDP-SECBINFHSA-N 249.274 -0.210 50 20 BBGD CCCOCC(=O)NNC(=O)NCC 920888062 KEVMNSUIHBDFKU-UHFFFAOYSA-N 203.242 -0.237 50 20 BBGD CC(C)[C@@H](O)C(=O)NNC(=O)[C@@H]1CCCCO1 1328064678 NEVIQBKCIDWNDW-DTWKUNHWSA-N 244.291 -0.280 50 20 BBGD C[C@H](C(=O)NNc1ccncn1)n1cncn1 1328675429 SXMBFXFLEHHYHZ-SSDOTTSWSA-N 233.235 -0.228 50 20 BBGD CN(NC(=O)C[C@@H]1CCCC(=O)N1)C(N)=O 1329824837 OXSQPNZSMVEFPI-LURJTMIESA-N 228.252 -0.913 50 20 BBGD O=C1CC[C@H](C(=O)NN=Cc2ncc[nH]2)N1 1335347386 PQZJNWFYPNCWSF-ZCFIWIBFSA-N 221.220 -0.862 50 20 BBGD O=C(CN1CCCC1=O)NNC(=O)[C@H]1C[C@@H]1F 1347384743 IRNDZOOASQEKSJ-BQBZGAKWSA-N 243.238 -0.886 50 20 BBGD O=C(CCl)NCCCn1cc(CO)nn1 1350353212 GXJOAQQDFKFKBB-UHFFFAOYSA-N 232.671 -0.485 50 20 BBGD CC(=O)NNC(=O)Cc1ccc(C(=O)O)nc1 1589150528 VBBWZMFGVPQHAL-UHFFFAOYSA-N 237.215 -0.510 50 20 BBGD O=C(CCO)NN=Cc1cc(C(=O)O)no1 1610656575 AWYNFNUVCYNYNR-UHFFFAOYSA-N 227.176 -0.795 50 20 BBGD O=C(NNC(=O)C(=O)O)NC1CCCC1 1610699115 HZNIOLMTKIPLKB-UHFFFAOYSA-N 215.209 -0.656 50 20 BBGD CC[C@@H](C)C(=O)NNC(=O)CN(C)C 75653810 YQKDYHLPYIDHTI-SSDOTTSWSA-N 201.270 -0.259 50 20 BBGD NC(=O)NNc1nncc(N)c1Cl 307719073 MIKKUUHPCHUYFZ-UHFFFAOYSA-N 202.605 -0.293 50 20 BBGD CCN(CCOCCO)S(=O)(=O)CCl 379514058 VWPWZARDTAPZOB-UHFFFAOYSA-N 245.728 -0.157 50 20 BBGD COC(=O)N(C)NS(=O)(=O)Cc1ccon1 496936419 GRGPCXZSDXPEKN-UHFFFAOYSA-N 249.248 -0.293 50 20 BBGD O=S(=O)(Cc1ccc(F)cc1)NCB(O)O 585054086 HRKVIFYLYVOTDY-UHFFFAOYSA-N 247.056 -0.743 50 20 BBGD O=C(N1CCSCC1)N1CC[C@H](B(O)O)C1 585055876 GEMWMCYULIFWFU-QMMMGPOBSA-N 244.125 -0.296 50 20 BBGD CCNC(=O)NNC(=O)Cc1cnn(C)c1C 794246064 CCLPSWWNSVIKNU-UHFFFAOYSA-N 239.279 -0.379 50 20 BBGD Cc1cc(C(=O)NN=C2C(=O)OC[C@@H]2C)n[nH]1 794920298 JDSMCVBWSPULTN-YFKPBYRVSA-N 236.231 -0.003 50 20 BBGD C[C@@H]1CCCC[C@H]1C(=O)NNC(=O)CO 819924425 FJXHNHHZGJKSLY-HTQZYQBOSA-N 214.265 -0.048 50 20 BBGD CC(C)CC(=O)NNC(=O)[C@H]1CCNC1=O 820710897 WQPDDSDETQVAHE-ZETCQYMHSA-N 227.264 -0.684 50 20 BBGD CCCn1nccc1C(=O)NN(C)C(N)=O 831518995 HSVDUBBQACRPPV-UHFFFAOYSA-N 225.252 -0.052 50 20 BBGD CC(=NNC(=O)C(=O)N1CCCC1)c1cnc[nH]1 853298657 ZONQUCSEPMZJAW-UHFFFAOYSA-N 249.274 -0.128 50 20 BBGD CCN(CC)CC(=O)NN(C)C(=S)NC 854923915 MTDUEYCVVUSRSA-UHFFFAOYSA-N 232.353 -0.205 50 20 BBGD O=C1CC[C@H](C(=O)NN=C2CC(C(=O)O)C2)N1 863150300 RCOANHWMEGTELI-NQPNHJOESA-N 239.231 -0.768 50 20 BBGD C[C@H](O)CN(C)NC(=O)c1cnc2n1CCC2 910140085 HDRLYIUNMYLNTR-QMMMGPOBSA-N 238.291 -0.213 50 20 BBGD C[C@H](O)CN(C)NC(=O)/C=C/c1cnn(C)c1 910176692 BYPISGJFXRQRDB-MOVJSRMASA-N 238.291 -0.223 50 20 BBGD C[C@@H](O)CN(C)NC(=O)/C=C\c1cnn(C)c1 910176698 BYPISGJFXRQRDB-XRVBUDJMSA-N 238.291 -0.223 50 20 BBGD Cc1ncc(C(=O)NN(C)C[C@@H](C)O)n1C 910181827 GHJNNMJNDVOZHU-SSDOTTSWSA-N 226.280 -0.314 50 20 BBGD CN(C)CCC(=O)NNC(=S)NC1CC1 916124413 CKZIXQXRXFWBDS-UHFFFAOYSA-N 230.337 -0.404 50 20 BBGD Cn1cc(C=NNC(=O)CN2CCCC2=O)cn1 917213003 UPJZLJVGHXTGLA-UHFFFAOYSA-N 249.274 -0.507 50 20 BBGD COCCCNC(=O)NNC(=O)[C@H]1CCOC1 921207992 ASPRMGXNLCDMOQ-QMMMGPOBSA-N 245.279 -0.610 50 20 BBGD Cn1cc(/C=C(\C#N)S(N)(=O)=O)cn1 1116924428 KVXIJUDHDQCVBF-FARCUNLSSA-N 212.234 -0.427 50 20 BBGD CNC(=O)NNC(=O)c1cn(C)nc1C 1322794043 KLVYTBLOZJHRFK-UHFFFAOYSA-N 211.225 -0.698 50 20 BBGD CN(C)C(=O)c1ccc(C=NNC(=O)CO)[nH]1 1324944117 CKWCVGOSNVZIKM-UHFFFAOYSA-N 238.247 -0.841 50 20 BBGD CCN[C@H](C)C(=O)NNC(=O)c1cccnn1 1577810652 NFBUWXWFASIOCL-SSDOTTSWSA-N 237.263 -0.764 50 20 BBGD COc1cncc(C(=O)NNC(=O)CN)c1C 1579322252 OHISLYKUIDWAGS-UHFFFAOYSA-N 238.247 -0.882 50 20 BBGD O=S(=O)(CCl)NC[C@H](O)C1CC1 82513390 WVTBTLMQONPNQW-LURJTMIESA-N 213.686 -0.127 50 20 BBGD NNC(=O)[C@@]12CCC(=O)N1CCS2 307402871 AXTNKXVMXRIVDX-ZETCQYMHSA-N 201.251 -0.958 50 20 BBGD COC(=O)NN=C1CCS(=O)(=O)CC1 495721892 RXJZEXMEBNTVHA-UHFFFAOYSA-N 220.250 -0.093 50 20 BBGD C[C@@H](C#N)CN(C)C(=O)c1cccc(B(O)O)c1 584933584 FCVDQCQMOONFJA-VIFPVBQESA-N 246.075 -0.402 50 20 BBGD COC[C@H](C)CNCc1ccccc1B(O)O 585019306 ISGFLPJJNRTNQG-SNVBAGLBSA-N 237.108 -0.262 50 20 BBGD C[C@H](O)CCCNCc1ccccc1B(O)O 585039804 YUPAFSRUQVIMOO-JTQLQIEISA-N 237.108 -0.383 50 20 BBGD CO[C@@H](CNCc1ccc(B(O)O)cc1)C1CC1 585043437 OFMLITYZAJULEZ-ZDUSSCGKSA-N 249.119 -0.119 50 20 BBGD CCC[C@H](CNCc1ccc(B(O)O)o1)OC 585043805 SEMNGBQWHNHVKP-SECBINFHSA-N 241.096 -0.136 50 20 BBGD O=S(=O)(NCB(O)O)c1cccc(F)c1 585054795 QZERSJIVPUGEDC-UHFFFAOYSA-N 233.029 -0.884 50 20 BBGD CN1CC[C@@H](C(=O)NNc2cnccn2)CC1=O 734245260 NZMXYATVOAIYRN-MRVPVSSYSA-N 249.274 -0.212 50 20 BBGD CNC(=O)C1(C(=O)NNc2cc(C)ncn2)CC1 734255125 CEQUVKTUAAQYQP-UHFFFAOYSA-N 249.274 -0.246 50 20 BBGD COC(=O)c1ccccc1C=NNC(=O)C(N)=O 744574748 BAPBNHXDCQVPFD-UHFFFAOYSA-N 249.226 -0.591 50 20 BBGD CCNC(=O)NNC(=O)[C@@H](O)C(C)(C)C 764881429 RZZLBHRBAQPIAJ-ZCFIWIBFSA-N 217.269 -0.256 50 20 BBGD CCOC(=O)NNC(=O)N=c1nc[nH]n1C 774049901 JNUJPRODZCNCPC-UHFFFAOYSA-N 228.212 -0.980 50 20 BBGD COc1ccnc(NNC(=O)C(C)(C)CO)n1 776331824 ZWXFGNVJPACTTN-UHFFFAOYSA-N 240.263 -0.053 50 20 BBGD O=C(CO)NNC(=O)c1c(F)cccc1F 777781802 KJXRTMSGRMAQOB-UHFFFAOYSA-N 230.170 -0.282 50 20 BBGD Cn1c(C(=O)NNC(=O)CO)cc2ccccc21 777782873 UOJIVHYYQAMCAJ-UHFFFAOYSA-N 247.254 -0.068 50 20 BBGD COCCCNC(=O)NNC(=O)CC(C)(C)O 792086926 WXWBCDBZHIRCIZ-UHFFFAOYSA-N 247.295 -0.486 50 20 BBGD CCOC1CC(C(=O)NNC(=O)CN(C)C)C1 806772736 UERAFOMURSZHBM-UHFFFAOYSA-N 243.307 -0.490 50 20 BBGD C[C@H](C(=O)NNC(=O)CC1CC1)N(C)C 823203433 UOGJAZICYBDGBO-SSDOTTSWSA-N 213.281 -0.116 50 20 BBGD CC[C@H](OC)C(=O)NNC(=O)[C@H]1CCO[C@H]1C 843649010 SWTFGWSTYXWCKU-CIUDSAMLSA-N 244.291 -0.016 50 20 BBGD CCO/C=C(\C#N)C(=O)N[C@@H]1COCC[C@H]1O 871190313 DJCWHICTNUCZEH-IZRRHEBBSA-N 240.259 -0.304 50 20 BBGD COc1ccc(C(=O)NN(C)C[C@H](C)O)nn1 910163302 OVLZBEOCGPZSIM-ZETCQYMHSA-N 240.263 -0.557 50 20 BBGD C[C@@H](O)CN(C)NC(=O)[C@H]1C[C@H]2CC[C@H]1O2 910168616 VBMFKIQPDQEWDZ-DOLQZWNJSA-N 228.292 -0.102 50 20 BBGD O=C(NCC1CC1)NNC(=O)[C@@]1(F)CCOC1 1117667278 VEYQDJPVEQKBBP-SNVBAGLBSA-N 245.254 -0.145 50 20 BBGD CC(C)NC(=S)NNC(=O)[C@H]1CCCN1C 1262153527 GBCYQBMAGFMJPA-MRVPVSSYSA-N 244.364 -0.016 50 20 BBGD COCc1cc(N2CC[C@@H](B(O)O)C2)ncn1 1352156006 JYKHLPPJFWQKTR-MRVPVSSYSA-N 237.068 -0.324 50 20 BBGD CCN(CCO)NC(=O)c1cc(C(=O)O)n[nH]1 1589734098 NZNWGXJSNLVSKK-UHFFFAOYSA-N 242.235 -0.933 50 20 BBGD COC(=O)NNC(=O)[C@H]1CC[C@H]1C(=O)O 1598884298 SVEWCESVQSPJOY-CRCLSJGQSA-N 216.193 -0.516 50 20 BBGD COc1cc(C)nc(NNC(=O)[C@H](C)N)n1 160875789 KEIIAVBXUUDILE-LURJTMIESA-N 225.252 -0.416 50 20 BBGD CN(NC(=O)[C@](C)(O)C1CC1)C(N)=O 288511287 SRQQSKXBZGUYSB-MRVPVSSYSA-N 201.226 -0.811 50 20 BBGD OB(O)c1ccc(CNC[C@H]2CCCS2)o1 585031151 SHNKBXFHBPENKT-SECBINFHSA-N 241.121 -0.055 50 20 BBGD C/C=C/C[C@@H](CO)NCc1ccccc1B(O)O 585036719 PJGUVGZRBBNJFX-JDGPPOGSSA-N 249.119 -0.217 50 20 BBGD CC(C)[C@@H](C(=O)O)C(=O)N1CC[C@H](B(O)O)C1 585063657 DXIPXKURHRRUNB-JGVFFNPUSA-N 243.068 -0.582 50 20 BBGD CNC(=O)NCC(=O)NCCCSC#N 819698758 MFZGWRXHYCLDIN-UHFFFAOYSA-N 230.293 -0.364 50 20 BBGD CC(C)C(=O)NNC(=O)[C@H]1CC[C@H]1C(N)=O 847290190 VMNLSKQMEAEJDY-RQJHMYQMSA-N 227.264 -0.699 50 20 BBGD C#C[C@@H](C)NCc1ccc(B(O)O)cc1 863890583 ZKJYUFDXNSKIPU-SECBINFHSA-N 203.050 -0.522 50 20 BBGD CC[C@@]1(C(=O)NNC(=O)N(C)C)CCNC1=O 865047560 RFSTVIQYGHYLHL-SNVBAGLBSA-N 242.279 -0.795 50 20 BBGD COC(OC)C(=O)NNC(=O)c1cccnc1 873738310 JGKVPGSZTIAJRQ-UHFFFAOYSA-N 239.231 -0.539 50 20 BBGD CCNC(=O)N(C)NC(=O)[C@@H]1[C@H]2CCC(=O)[C@@H]21 907252817 LSBASZXUWFAMCW-NBEYISGCSA-N 239.275 -0.096 50 20 BBGD CCN1CCOC[C@H]1C(=O)NN(C)C[C@@H](C)O 910153590 CKUURQZAUWIRBQ-ZJUUUORDSA-N 245.323 -0.949 50 20 BBGD C[C@@H](NC(=O)NNC(=O)C(=O)O)C1CCCC1 1607422253 REDYEJFQTBQVEH-ZCFIWIBFSA-N 243.263 -0.020 50 20 BBGD CCC(=O)NNC(=O)[C@@H](C)N(C)CCCOC 109834399 MTSIWAKTRKSRCJ-SECBINFHSA-N 245.323 -0.099 50 20 BBGD CC[C@H](OC)C(=O)NNC(=O)C(=O)NC(C)C 299401574 NFKBWSRHHDAHMC-ZETCQYMHSA-N 245.279 -0.917 50 20 BBGD CC(=O)NNC(=O)[C@@H](NC(C)=O)C1CCCC1 302880889 WUBKGPNYTSTEKG-JTQLQIEISA-N 241.291 -0.151 50 20 BBGD CCC(=O)N1CC[C@@H](C(=O)NNC(=O)OC)C1 495407198 JBHBJYNNPUGGTG-SSDOTTSWSA-N 243.263 -0.368 50 20 BBGD OB(O)c1ccc(CNCCCF)c(F)c1 585031012 OGRCKASCSOTZTO-UHFFFAOYSA-N 229.035 -0.045 50 20 BBGD OC[C@@H](CCF)NCc1ccccc1B(O)O 585046153 RKKWXXGNWJZGAS-SNVBAGLBSA-N 241.071 -0.824 50 20 BBGD Cc1nsc(N2CC[C@@H](B(O)O)C2)n1 585074034 RRIZNGDQBKNPSQ-ZCFIWIBFSA-N 213.071 -0.100 50 20 BBGD CCCCNC(=O)NNC(=O)[C@H]1C[C@H]1C(=O)O 736999232 UMRSOOZKEXLBPU-NKWVEPMBSA-N 243.263 -0.162 50 20 BBGD Cn1cncc1C(=O)NNC(=O)c1cccnc1 788265455 UTSFHYITQPQGKD-UHFFFAOYSA-N 245.242 -0.110 50 20 BBGD COC(=O)CNC(=O)NN=C(C)c1ncc[nH]1 790175043 XLBVLUDAQDVGTA-UHFFFAOYSA-N 239.235 -0.394 50 20 BBGD COC(=O)c1ccc(C(=O)NN(C)C(N)=O)[nH]1 815900880 VJZWXZKEBAXTHL-UHFFFAOYSA-N 240.219 -0.543 50 20 BBGD C[C@@H]1OC(=O)N[C@@H]1C(=O)NNC(=O)C(C)(C)C 841381358 ISAMJCTWIMBYAZ-WDSKDSINSA-N 243.263 -0.323 50 20 BBGD CNC(=S)N(C)NC(=O)COCCOC 854923896 MIRSJPFLXPUXSD-UHFFFAOYSA-N 235.309 -0.883 50 20 BBGD C=CC(=O)N(C)CC(=O)NNC(=O)CC1CC1 861842600 OICQJJXHUMALTA-UHFFFAOYSA-N 239.275 -0.422 50 20 BBGD C[C@@H](NNC(=O)Cn1cncn1)C(F)(F)F 862307060 HONKAAIHIWYBLC-RXMQYKEDSA-N 237.185 -0.150 50 20 BBGD CC[C@@H](NNC(=O)c1cn[nH]c1)C(=O)OC 863378688 QIXKUFVJCMXLSM-SSDOTTSWSA-N 226.236 -0.404 50 20 BBGD C#CCCCC(=O)NNC(=O)[C@@](C)(O)COC 887145430 DJLITBQQVWUVAG-NSHDSACASA-N 242.275 -0.665 50 20 BBGD C[C@H](O)CN(C)NC(=O)c1ccc(C#N)cn1 910167142 ISBOZQWLJUUTHJ-QMMMGPOBSA-N 234.259 -0.089 50 20 BBGD C[C@@H](CO)N(C)NC(=O)CCc1cncnc1 1119105568 RZSHPDDBSDEBMR-VIFPVBQESA-N 238.291 -0.247 50 20 BBGD CC(=O)NNC(=O)[C@H](C)[C@H](C)S(C)(=O)=O 1321170521 QVJICMRFWAMIJJ-RITPCOANSA-N 236.293 -0.777 50 20 BBGD Cc1oc2ncn(C)c(=O)c2c1C(=O)NN 1329521368 NSBUSEHLWUJIHQ-UHFFFAOYSA-N 222.204 -0.562 50 20 BBGD NC(=O)c1ccc(NNC(=O)C(F)F)nn1 1329991518 KXKSXNLGJFABTO-UHFFFAOYSA-N 231.162 -0.716 50 20 BBGD Cc1cnn(C)c1C(=O)N1CC[C@@H](B(O)O)C1 1334779865 PRPLMWUXTWXRHT-MRVPVSSYSA-N 237.068 -0.583 50 20 BBGD C[C@@H](C(=O)NN(C)C1CC1)S(C)(=O)=O 1348978434 KUIJGGIHFMHFQK-LURJTMIESA-N 220.294 -0.455 50 20 BBGD C[C@@H](O)[C@H](N)C(=O)NNc1ccc(C#N)cn1 1579420258 WUMNPXSCZNXBAV-MUWHJKNJSA-N 235.247 -0.896 50 20 BBGD C[C@H]1C[C@@H]1C(=O)NNc1ccc(C(N)=O)nn1 154407510 MOFKOMVDPIKZNN-WDSKDSINSA-N 235.247 -0.325 50 20 BBGD Cc1cnn(CCC(=O)NN(C)C(N)=O)c1 181078360 YWZBIGZJVMQRQW-UHFFFAOYSA-N 225.252 -0.377 50 20 BBGD COC(=O)[C@@H]1C[C@@H]1C(=O)NNC(=O)CC(C)C 263829597 AKZOWDIQQPQHIJ-JGVFFNPUSA-N 242.275 -0.011 50 20 BBGD COC[C@](C)(O)CNS(=O)(=O)CCl 382551897 GIFKZUQYAOJVKO-ZCFIWIBFSA-N 231.701 -0.501 50 20 BBGD CCOC(=O)NNC(=O)CN1CCCNC1=O 490576580 SEYIVNPKXUFJOQ-UHFFFAOYSA-N 244.251 -0.821 50 20 BBGD C[C@H](CCO)CNCc1ccc(B(O)O)o1 585025957 AIQFFAXKUCGXCW-MRVPVSSYSA-N 227.069 -0.933 50 20 BBGD C=CCOCCCNCc1ccc(B(O)O)o1 585047114 HKEMMKCHGPMHCB-UHFFFAOYSA-N 239.080 -0.358 50 20 BBGD COCCOCC(C)=NNC(=O)CN(C)C 741163389 RLZIZKVFRRBMFF-UHFFFAOYSA-N 231.296 -0.297 50 20 BBGD Cn1cc(NC(=O)NNC(=O)C2CC2)cn1 753946671 RVTIYMKXWUNAPZ-UHFFFAOYSA-N 223.236 -0.017 50 20 BBGD COC(=O)C1(C(=O)NNC(=O)C(C)C)CC1 766339008 MKZMHSVVFWZPMN-UHFFFAOYSA-N 228.248 -0.257 50 20 BBGD CC(=O)NNC(=O)c1cc2nn[nH]c2cc1F 781890087 LLKMJLSFQTXPFF-UHFFFAOYSA-N 237.194 -0.122 50 20 BBGD CC(C)n1cnc(C(=O)NNC(=O)CO)c1 799102971 YFLBCYBRONDOOM-UHFFFAOYSA-N 226.236 -0.783 50 20 BBGD Cc1nc(C(=O)NN(C)C2CC2)n(C)n1 818095040 CWYNWGLWJQOOAN-UHFFFAOYSA-N 209.253 -0.137 50 20 BBGD CN(NC(=O)[C@@H](O)c1cnn(C)c1)C1CC1 819652677 ZTAYIAXBJLQLDO-VIFPVBQESA-N 224.264 -0.421 50 20 BBGD CCn1cc(C=NNC(=O)[C@@H]2CCC(=O)N2)cn1 863149016 PBMFBGCMXFBTSB-VIFPVBQESA-N 249.274 -0.368 50 20 BBGD CN(C)C(=O)NNC(=O)c1ccc2nnnn2c1 1116259383 YCQPQWRLKPGGIJ-UHFFFAOYSA-N 249.234 -0.960 50 20 BBGD CCn1cc(C(=O)NNC(=O)NC)c(C)n1 1118868478 KNRRMFNSTUNDEY-UHFFFAOYSA-N 225.252 -0.215 50 20 BBGD CC(C)(C)CC(=O)NNC(=O)N[C@H]1CNOC1 1120565123 DJQNUYQPIAUNSE-ZETCQYMHSA-N 244.295 -0.344 50 20 BBGD CSSCCNC(=O)Cn1nnc(N)n1 1120646770 AAZGYYRIPNFMIY-UHFFFAOYSA-N 248.337 -0.617 50 20 BBGD O=[N+]([O-])c1cnc(N2CC[C@@H](B(O)O)C2)nc1 1261844609 VIEOJUMFOFNKIK-ZCFIWIBFSA-N 238.012 -0.562 50 20 BBGD O=C(C[C@@H]1CNCCO1)NNc1ncccn1 1326300102 YBZGBHWCEIEVLY-MRVPVSSYSA-N 237.263 -0.702 50 20 BBGD Cc1nccc(NC(=O)NNC(=O)CCO)n1 1338370615 CZOXDBIFYOXJDC-UHFFFAOYSA-N 239.235 -0.680 50 20 BBGD CN(NC(=O)[C@H]1CCc2ncncc2C1)C(N)=O 1346080443 IKUJZHPADBGSNX-ZETCQYMHSA-N 249.274 -0.377 50 20 BBGD C[C@H]1CCC[C@@H]1NC(=O)NNC(=O)C(=O)O 1594360452 VJKISPJGLLRIFK-WDSKDSINSA-N 229.236 -0.410 50 20 BBGD COC(=O)N[C@@H](C)C(=O)NNC(=O)CC1CC1 294216002 QIJDNDIHPHWNOB-LURJTMIESA-N 243.263 -0.322 50 20 BBGD CCNC(=O)NNC(=O)C(C)(C)NC(=O)OC 491215102 IFFHSUGUBQFUPU-UHFFFAOYSA-N 246.267 -0.529 50 20 BBGD COCCS(=O)(=O)NN(C)C(=O)OC 495838231 AULACZHNEQSDOR-UHFFFAOYSA-N 226.254 -0.835 50 20 BBGD CN(C)C1(C(=O)Nc2cccc(B(O)O)c2)CC1 584910921 DYJNKOZVSUAFPD-UHFFFAOYSA-N 248.091 -0.601 50 20 BBGD CN1CCC[C@@H]1CNCc1ccccc1B(O)O 585019354 KRPAGMBHKTTYIQ-GFCCVEGCSA-N 248.135 -0.450 50 20 BBGD OB(O)c1ccc(CNCC[C@@H]2CCOC2)o1 585035681 XVXMCTSDLWREAA-SECBINFHSA-N 239.080 -0.524 50 20 BBGD O=C(Cn1ccccc1=O)NNc1cnccn1 734242636 QAWLBIWDGHGBBN-UHFFFAOYSA-N 245.242 -0.218 50 20 BBGD CC(C)[C@@](C)(O)C(=O)NNC(=O)C1CC1 770207780 BFDFHRNRXRHDOV-SNVBAGLBSA-N 214.265 -0.049 50 20 BBGD CN(NC(=O)C[C@@](C)(O)C1CC1)C(N)=O 778417305 RFOFTKGRZWUQQI-SECBINFHSA-N 215.253 -0.421 50 20 BBGD C=C[C@H](O)C(=O)O[C@@H](C)C(=O)NNC(=O)CC 814549224 ZPSYHEBZGKMMEJ-BQBZGAKWSA-N 244.247 -0.978 50 20 BBGD CCNC(=O)N(C)NC(=O)[C@H]1C[C@@H](O)C1 821783386 JIDLFRKPQSSIJW-KNVOCYPGSA-N 215.253 -0.550 50 20 BBGD CCc1nn(C)cc1C(=O)NN(C)[C@@H](C)CO 823939557 LXJZVUGZADMYCB-QMMMGPOBSA-N 240.307 -0.060 50 20 BBGD C[C@H](CO)N(C)NC(=O)C1=COCCO1 823992999 IFRVRRLDBWRRFY-SSDOTTSWSA-N 216.237 -0.782 50 20 BBGD C=C[C@H](O)C(=O)NNC(=O)[C@H]1CCCCO1 854682398 AEMCODCSCSJTQD-JGVFFNPUSA-N 228.248 -0.750 50 20 BBGD COC[C@H](C)CC(=O)NNC(=O)c1cn[nH]c1 862472196 HUVYKKUEQWPSNF-SSDOTTSWSA-N 240.263 -0.157 50 20 BBGD COCC(COC)NC(=O)NN(C)C(=O)OC 875642793 PWBGRZWYLUUXHI-UHFFFAOYSA-N 249.267 -0.440 50 20 BBGD CS(=O)(=O)CC(=O)NNC(=O)C1CC=CC1 1118955175 YGXAIAXWHBULFC-UHFFFAOYSA-N 246.288 -0.855 50 20 BBGD O=C(NNc1ncc(F)cn1)c1cnn[nH]1 1320286970 BTUQPWSXCJLOME-UHFFFAOYSA-N 223.171 -0.509 50 20 BBGD CCc1ncncc1C(=O)NN(C)C(N)=O 1323533846 HXCLGIWPRZTOGW-UHFFFAOYSA-N 223.236 -0.306 50 20 BBGD Cn1ccc(NNC(=O)C2(n3cnnn3)CC2)n1 1328991571 VJJRTHZZRJAINQ-UHFFFAOYSA-N 248.250 -0.961 50 20 BBGD N#CCCCC(=O)NNC(=O)[C@H]1CCC(=O)N1 1330107876 JNOYHDZNYJGIJJ-SSDOTTSWSA-N 238.247 -0.894 50 20 BBGD CC[C@@H](C(=O)NNc1cnnn1C)[C@H](C)O 1331393675 QSAAWPVONAMGBB-NKWVEPMBSA-N 227.268 -0.335 50 20 BBGD O=C(CN1C(=O)CCC1=O)NN=c1cc[nH]cc1 1346899959 VKNPUKJVVFTNOP-UHFFFAOYSA-N 248.242 -0.904 50 20 BBGD COCC(=O)NN=Cc1ccc(C(=O)O)cn1 1599142811 IPTSROPTATWFDB-UHFFFAOYSA-N 237.215 -0.124 50 20 BBGD COCCN(C)NC(=O)c1cn(C)cn1 293704620 UBMAGZKTXZXMBC-UHFFFAOYSA-N 212.253 -0.357 50 20 BBGD CCO/C=C(/C#N)C(=O)N(C)[C@@H]1CCNC1=O 490782378 IUMFAMDAIKBHEC-UFGYOYAJSA-N 237.259 -0.223 50 20 BBGD CCO[C@@H]1C[C@H]1NC(=O)c1ccc(B(O)O)cc1 584983644 YNFMGPWKHRPQQU-GHMZBOCLSA-N 249.075 -0.726 50 20 BBGD CC(C)NC(=O)C(=O)NNC(=O)[C@H](C)C1CC1 747905539 DWVHAAKTOWPQSO-SSDOTTSWSA-N 241.291 -0.296 50 20 BBGD CC(C)c1ccc(C(=O)NNC(=O)CO)cn1 753445217 WQBABWJMENARMV-UHFFFAOYSA-N 237.259 -0.042 50 20 BBGD CN(C)CC(=O)NNC(=O)[C@@H]1C[C@@]12CCOC2 764463816 WINCGMJSESODDH-GZMMTYOYSA-N 241.291 -0.878 50 20 BBGD CCC(=O)NNC(=O)[C@H](C)OC(C)=O 771884378 ZLOFVIRAEFBDJE-YFKPBYRVSA-N 202.210 -0.505 50 20 BBGD CC(C)NC(=O)NNC(=O)[C@@H]1CCN(C)C1=O 772526788 PBDGIACYQCZTHC-ZETCQYMHSA-N 242.279 -0.797 50 20 BBGD C[C@H]1C[C@H](C(=O)NNC(=O)N(C)C)CO1 784148836 AQGDAELNKFWPJG-BQBZGAKWSA-N 215.253 -0.286 50 20 BBGD O=C(NCC1CC1)C(=O)NNC(=O)C1CCC1 788510595 HFOLFGAKEUXMGC-UHFFFAOYSA-N 239.275 -0.540 50 20 BBGD O=CN1CCC[C@H]1C(=O)NNC(=O)C1CCC1 827215951 IFMYMGLIOGPABG-VIFPVBQESA-N 239.275 -0.445 50 20 BBGD O=C(NNc1ncncc1F)[C@H](O)C1CC1 854609072 KRFGGDHZAWEXPW-SSDOTTSWSA-N 226.211 -0.170 50 20 BBGD C[C@H]1CC(=NNC(=O)[C@H]2CCC(=O)N2)CO1 863150848 CSXIJKHFAPDUTG-POYBYMJQSA-N 225.248 -0.454 50 20 BBGD C#CCSCC(=O)NNC(=O)NCC 900386010 IPTWBYYSNGFUMU-UHFFFAOYSA-N 215.278 -0.297 50 20 BBGD C[C@H](O)CN(C)NC(=O)/C=C/[C@H]1CCOC1 910144772 MNERTKLKUBIJOO-OHINUGQQSA-N 228.292 -0.077 50 20 BBGD C[C@@H](O)CN(C)NC(=O)[C@@H](C)n1cccn1 910168684 QBWZRZVYZNDASD-RKDXNWHRSA-N 226.280 -0.212 50 20 BBGD CNC(=O)NNC(=O)c1cccc(CO)c1 1116944795 DANALNYDKJNDMM-UHFFFAOYSA-N 223.232 -0.247 50 20 BBGD NC(=O)CN1CCC[C@H](NC(=O)CCl)C1 1253968340 NNPVVZCHPVBSQH-ZETCQYMHSA-N 233.699 -0.709 50 20 BBGD CN(NC(=O)C1(C)CCOCC1)C(N)=O 1254288943 SMNDVSPMQOLRQB-UHFFFAOYSA-N 215.253 -0.155 50 20 BBGD COC(=O)C(=O)NN=C(C)c1cnn(C)c1 1323497198 SHAMYNKWNQQIPN-UHFFFAOYSA-N 224.220 -0.567 50 20 BBGD CC(C)NC(=S)NNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1325227907 ZOCOCHDDHPIRDF-PHDIDXHHSA-N 246.292 -0.445 50 20 BBGD O=C(CCO)NN=C1CCCn2nccc21 1328008159 AXCPCHVUSOIPTJ-UHFFFAOYSA-N 222.248 -0.120 50 20 BBGD COC(=O)C(=O)NNC(=O)N[C@@H]1CC[C@@H](C)C1 1331244851 NSEOLRPSGUCFEN-RNFRBKRXSA-N 243.263 -0.322 50 20 BBGD Cc1conc1C(=O)N1CC[C@@H](B(O)O)C1 1335431224 HXTYJNWJUMKJLW-SSDOTTSWSA-N 224.025 -0.328 50 20 BBGD CC[C@H](C)NC(=S)NNC(=O)c1ncon1 1336920484 SYOQJSNMJIYNAI-YFKPBYRVSA-N 243.292 -0.023 50 20 BBGD CC(Cn1cncn1)=NNC(=O)NCC(=O)O 1592930749 FDOVUSVESKUAOY-UHFFFAOYSA-N 240.223 -0.962 50 20 BBGD CO[C@H](C(=O)O)C(=O)NNc1ncc(F)cn1 1593911212 HZWVQTDVIYGZBG-YFKPBYRVSA-N 244.182 -0.842 50 20 BBGD Cn1ccnc(NNC(=O)CCC(=O)O)c1=O 1594551530 JAVVSTVKKGUHMZ-UHFFFAOYSA-N 240.219 -0.912 50 20 BBGD Cn1cc(/C=C(\C#N)C(=O)NCC(=O)O)cn1 1600946702 OMKBVLBPOPNVDN-KRXBUXKQSA-N 234.215 -0.472 50 20 BBGD CC[C@H](C)[C@H](NNC(=O)C(=O)O)C(=O)OC 1604945122 KTPDRKZQDMTLAV-WDSKDSINSA-N 232.236 -0.721 50 20 BBGD CSCC[C@H](C)NC(=O)NNC(=O)C(=O)O 1607395705 LZAIZEPELCHVLA-YFKPBYRVSA-N 249.292 -0.457 50 20 BBGD C[C@H](CCO)NS(=O)(=O)CCl 133928345 HAYCLNCJQPAGSU-RXMQYKEDSA-N 201.675 -0.127 50 20 BBGD O=C(NNC(=O)c1ccc[nH]1)C1=COCCO1 171100696 BLHZBMHFNQYTEQ-UHFFFAOYSA-N 237.215 -0.336 50 20 BBGD O=C(NCB(O)O)c1ccc2[nH]ccc2c1 585060881 GLQHXJYQUARERR-UHFFFAOYSA-N 218.021 -0.090 50 20 BBGD CCn1cc(S(=O)(=O)NNC(=O)O)cn1 737303263 VGKYQYBDYVPVGR-UHFFFAOYSA-N 234.237 -0.636 50 20 BBGD O=C(NNc1cccnn1)[C@@]1(O)CCSC1 753090427 HKIGDAJGUMZHJA-SECBINFHSA-N 240.288 -0.212 50 20 BBGD CCC[C@](C)(O)C(=O)NNC(=O)N(C)C 770947191 GYOITVBLNDFVHL-VIFPVBQESA-N 217.269 -0.160 50 20 BBGD CC(C)(C)C(=O)NNC(=O)C(C)(C)O 787950402 WACLVHHTPFHPPC-UHFFFAOYSA-N 202.254 -0.049 50 20 BBGD CN1CCN(C(=O)NN=C2CCOC2)CC1 790175658 IOKMHITXSYLWGO-UHFFFAOYSA-N 226.280 -0.280 50 20 BBGD CCN(CCO)NC(=O)c1n[nH]c2c1CCC2 823846692 MFZUSTWPRMRHPH-UHFFFAOYSA-N 238.291 -0.143 50 20 BBGD Cc1cc(C(=O)NN(C)[C@@H](C)CO)nn1C 823971814 ZOLSXILYGXRSDJ-QMMMGPOBSA-N 226.280 -0.314 50 20 BBGD C[C@H]1CC(=NNC(=O)CN2CCCC2=O)CO1 842521901 QKRCQUZXMAZEKQ-QMMMGPOBSA-N 239.275 -0.110 50 20 BBGD CO[C@H](C)C(=O)NNC(=O)[C@H]1CCO[C@H]1C 843648007 VPXWLMUSGXCMQS-RNJXMRFFSA-N 230.264 -0.406 50 20 BBGD C[C@H](O)C(=O)NNC(=S)NCC1CCC1 855089196 GTPAWMUNOTXMSG-LURJTMIESA-N 231.321 -0.337 50 20 BBGD O=C(NNC(=O)C1(O)CCCC1)c1cc[nH]n1 855357688 PDGIGOVZCSBNRD-UHFFFAOYSA-N 238.247 -0.524 50 20 BBGD CCNC(=O)N(C)NC(=O)[C@@H](NC=O)C(C)C 860664249 CCARLZCZHAPGAR-QMMMGPOBSA-N 244.295 -0.551 50 20 BBGD CCNC(=O)N(C)NC(=O)/C=C\COC 867279391 ZCSWAJMNQVGJFN-WAYWQWQTSA-N 215.253 -0.119 50 20 BBGD O=C(NNC(=O)C1CSC1)C1CCOCC1 899236064 OGFODFAJRVCOOZ-UHFFFAOYSA-N 244.316 -0.077 50 20 BBGD CO[C@H](C(=O)NN(C)C[C@H](C)O)C1CC1 910150795 VUYIUMBHMBIQGJ-CBAPKCEASA-N 216.281 -0.245 50 20 BBGD O=C(Cc1cc[nH]n1)NN=Cc1csnn1 1117741962 LIBNVSPRKGYNLL-UHFFFAOYSA-N 236.260 -0.046 50 20 BBGD COC(=O)c1cnc(C(=O)NNC(C)=O)cn1 1117778226 OLIXVBANNWCWPV-UHFFFAOYSA-N 238.203 -0.956 50 20 BBGD CNC(=O)NNC(=O)c1cncnc1C 1317962958 DJJFSHVBLYYUHL-UHFFFAOYSA-N 209.209 -0.641 50 20 BBGD Cn1ccc(CC(=O)NNc2cccnn2)n1 1329530957 TXYOYGZIGLPDHI-UHFFFAOYSA-N 232.247 -0.104 50 20 BBGD C[C@H](CO)N(C)NC(=O)c1cc(C(=O)O)n[nH]1 1573601179 IHTTUEZIFYQQJY-RXMQYKEDSA-N 242.235 -0.935 50 20 BBGD NNC(=O)Nc1cnc2c(c1)CNC2=O 1580358624 NGZZAABZIJZAJM-UHFFFAOYSA-N 207.193 -0.680 50 20 BBGD C=CCNC(=S)NNC(=O)[C@@H](CC)C(=O)O 1588845305 FGTKTNBQCNPCNZ-ZCFIWIBFSA-N 245.304 -0.222 50 20 BBGD O=C(O)Cn1cccc1C=NNC(=O)CCO 1595157994 BLGJCTVUTCVPDT-UHFFFAOYSA-N 239.231 -0.595 50 20 BBGD CC(C)NC(=O)NNC(=O)CCCC(=O)O 1603075548 VNWKOIIIRDJGSL-UHFFFAOYSA-N 231.252 -0.020 50 20 BBGD O=C(O)CNC(=O)NN=Cc1csnn1 1610782910 HKNFRFDTYKXODH-UHFFFAOYSA-N 229.221 -0.744 50 20 BBGD O=C(CN1CCC[C@@H]1CO)NNC(=O)C1CC1 118401196 IDKPRBIPTFMVQA-SECBINFHSA-N 241.291 -1.000 50 20 BBGD CCc1ncc(C(=O)NNC(=O)CO)s1 180951457 NDSBUDRQSHYDAE-UHFFFAOYSA-N 229.261 -0.541 50 20 BBGD CCOC(=O)N[C@H](C(=O)NN)C(C)C 238278202 PWJPFSKXFRSJCG-LURJTMIESA-N 203.242 -0.253 50 20 BBGD CCCCOCC(=O)NNC(=O)NC 265446535 YLNAHWTWBCIABA-UHFFFAOYSA-N 203.242 -0.237 50 20 BBGD O=C(CCl)NCCN=c1cncc[nH]1 379661205 PTXMKSHAONERQX-UHFFFAOYSA-N 214.656 -0.335 50 20 BBGD COC(=O)NNC(=O)[C@@H]1CO[C@@H](C)C1 492389693 DFMSMDDDACQMSD-WDSKDSINSA-N 202.210 -0.201 50 20 BBGD COC(=O)N(C)NC(=O)Cc1ccn(C)n1 495759743 DGWIMHDZDTXAHF-UHFFFAOYSA-N 226.236 -0.308 50 20 BBGD CCOC(=O)NNC(=O)C1(OC)CCOCC1 495801620 YCFLYYZLSVVXDD-UHFFFAOYSA-N 246.263 -0.041 50 20 BBGD CCC1(CNCc2ccc(B(O)O)cc2)COC1 585044277 DKHKOCLEGPXNSC-UHFFFAOYSA-N 249.119 -0.117 50 20 BBGD O=C(NCB(O)O)c1ccc2n[nH]cc2c1 585060971 MZBUBGFSMJLWPA-UHFFFAOYSA-N 219.009 -0.695 50 20 BBGD Cc1n[nH]cc1C(=O)NNC(=O)COC(C)C 732084050 HXQFEWJRIMZYHJ-UHFFFAOYSA-N 240.263 -0.096 50 20 BBGD COCCN(C)CC(=O)NNC(=O)C1CC1 733194325 JNCUQKYYURTXGT-UHFFFAOYSA-N 229.280 -0.878 50 20 BBGD Cn1nccc1C=NNC(=O)C(=O)N1CCCC1 748136789 QISIZGQPBXYQHY-UHFFFAOYSA-N 249.274 -0.507 50 20 BBGD CN(C)CC(=O)NNC(=O)Nc1cnns1 755346805 UAAZKFXSCRQUQM-UHFFFAOYSA-N 244.280 -0.748 50 20 BBGD CN(C)C(=O)NNC(=O)[C@H](O)C(C)(C)C 764934322 MFLNXBLEGFUBHE-LURJTMIESA-N 217.269 -0.304 50 20 BBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@H]1CCCO1 770650108 KJLXICHTGAPEPD-XHNCKOQMSA-N 242.275 -0.262 50 20 BBGD CNC(=O)NNC(=O)Cc1ccc(OC)cn1 789912323 SNZIWXPCZBRMMC-UHFFFAOYSA-N 238.247 -0.407 50 20 BBGD CC(C)(O)CN1CCC(=NNC(=O)CO)CC1 814225090 DCTGPXHKIWRPPO-UHFFFAOYSA-N 243.307 -0.682 50 20 BBGD CN1N=C(C(=O)NN(C)C2CC2)CCC1=O 819643914 UKJCTCVCEFJJLO-UHFFFAOYSA-N 224.264 -0.280 50 20 BBGD CN(NC(=O)CN1CCOCC1)C1CC1 819650393 JXMSMHVHPKOTCV-UHFFFAOYSA-N 213.281 -0.556 50 20 BBGD Cc1nccnc1C(=O)NN(C)[C@H](C)CO 823906698 AOEMMHHXEYOLPW-SSDOTTSWSA-N 224.264 -0.258 50 20 BBGD CCNC(=O)N(C)NC(=O)CC1(CN)CC1 831944635 DPAOZZOTIIKJOS-UHFFFAOYSA-N 228.296 -0.192 50 20 BBGD CCO[C@@H]1CC(=NNC(=O)COC)[C@H]1OC 841629300 RVCATLZNDVKVRB-PSASIEDQSA-N 230.264 -0.071 50 20 BBGD COCCCC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 843645589 MZSDNCOFQUFLBJ-RKDXNWHRSA-N 244.291 -0.015 50 20 BBGD COC(=O)N(C)NC(=O)N[C@@H](C)C(=O)N(C)C 875097321 VMDIIRFRTNWCMD-LURJTMIESA-N 246.267 -0.625 50 20 BBGD C[C@H](O)CN(C)NC(=O)[C@@](C)(O)C1CCC1 910146957 HOSXRCRXVZGOTC-KWQFWETISA-N 230.308 -0.119 50 20 BBGD Cc1nc[nH]c1C(=O)N1CC[C@H](B(O)O)C1 1119540461 OLKJMFYOJYYZSV-ZETCQYMHSA-N 223.041 -0.593 50 20 BBGD Nc1nccnc1C(=O)NNc1cccnn1 1320340471 XINTUBRRLQGMNI-UHFFFAOYSA-N 231.219 -0.394 50 20 BBGD CNC(=O)NNC(=O)c1ccc(F)nc1 1323403701 FFBZZQNHRNIVEX-UHFFFAOYSA-N 212.184 -0.206 50 20 BBGD C[C@@H](O)CN(C)NC(=O)c1cnc2[nH]ncc2c1 1520230940 IAGCXBKSLXXPGZ-SSDOTTSWSA-N 249.274 -0.085 50 20 BBGD CN(N)C(=O)CCOc1cccc(C(N)=O)c1 1573877162 GOSFIZBDDMGJAX-UHFFFAOYSA-N 237.259 -0.114 50 20 BBGD CC(C)OCCC(=O)NNC(=O)CCCN 1575775826 UZTRKEBWAACHAF-UHFFFAOYSA-N 231.296 -0.312 50 20 BBGD Cn1cccc1C(=O)NNC(=O)[C@@H]1CCOC1 66942218 OOLQMDQGQPZBQR-MRVPVSSYSA-N 237.259 -0.177 50 20 BBGD CC[C@H](C(=O)NNC(=O)CN(C)C)N(C)C 151519686 OMNPHKCGEICQAO-MRVPVSSYSA-N 230.312 -0.964 50 20 BBGD CNC(=O)NNC(=O)CC(C)(C)OC 278733396 IDMFZLGGEAELKV-UHFFFAOYSA-N 203.242 -0.238 50 20 BBGD C[C@H]1C[C@@H](O)CN1S(=O)(=O)CCl 307626946 LCBPQSJCQTZDAE-NTSWFWBYSA-N 213.686 -0.032 50 20 BBGD C[C@@H](Cl)C(=O)N1C[C@H]2C(=O)N(C)C(=O)[C@H]2C1 409432821 WLLNEKQWLWPXPN-QYNIQEEDSA-N 244.678 -0.313 50 20 BBGD O=C(Nc1cccc(B(O)O)c1)[C@@]12COC[C@@H]1C2 584911751 MNEOXYMYHPAYCF-UFBFGSQYSA-N 247.059 -0.659 50 20 BBGD CCO[C@H](C)C(=O)NNc1nccn(C)c1=O 747941874 QTLNRYYHWHXHJJ-SSDOTTSWSA-N 240.263 -0.352 50 20 BBGD CC(=O)NNC(=O)c1cccc2c1oc(=O)n2C 757633264 KBTJHHSAHGPKMB-UHFFFAOYSA-N 249.226 -0.088 50 20 BBGD O=C(Cn1cncn1)NN=c1cc[nH]cc1 781020472 XBXNXJFNKANWTQ-UHFFFAOYSA-N 218.220 -0.762 50 20 BBGD CN(C)C(=O)NNC(=O)[C@@](C)(O)C1CC1 804323150 DYCKPKMJNJJOAP-VIFPVBQESA-N 215.253 -0.550 50 20 BBGD CN(NC(=O)Cn1cc([N+](=O)[O-])cn1)C1CC1 819645171 ABQHWFZTIUGUHP-UHFFFAOYSA-N 239.235 -0.083 50 20 BBGD CCNC(=O)N(C)NC(=O)C[C@@H]1CNCCO1 831945701 TYDXSQJHZTVAKK-MRVPVSSYSA-N 244.295 -0.943 50 20 BBGD COc1ncncc1NC(=O)NNC(=O)O 832660030 SOCVSPQCLFJTPQ-UHFFFAOYSA-N 227.180 -0.211 50 20 BBGD CC(C)C(=O)NNC(=O)c1cc(O)ncn1 858142960 BHTPRNJDMGMXRZ-UHFFFAOYSA-N 224.220 -0.401 50 20 BBGD C[C@@H]1CC(=NNC(=O)c2ncon2)CN1C 901289308 FEMCFAAUOZTSLW-ZCFIWIBFSA-N 223.236 -0.121 50 20 BBGD COCCCOCCC(=O)NN(C)C[C@H](C)O 910141115 PUTWVZXYZRVKPV-JTQLQIEISA-N 248.323 -0.227 50 20 BBGD CC(=O)NNC(=O)[C@@H]1CC(=O)N(CC(C)C)C1 914602791 UONMHPBVJAZFIF-SECBINFHSA-N 241.291 -0.342 50 20 BBGD CC(=O)NNC(=O)COCc1ccnn1C 1116982148 QWWAHVDSYNIROU-UHFFFAOYSA-N 226.236 -0.896 50 20 BBGD CNC(=O)NNC(=O)c1cnc(NC)s1 1119528027 WKGFHGKDSLQQGV-UHFFFAOYSA-N 229.265 -0.241 50 20 BBGD CCNC(=O)NNC(=O)CCCCC(=O)NC 1320503378 HBUJWGUGMDKJSN-UHFFFAOYSA-N 244.295 -0.357 50 20 BBGD CC(=NNC(=O)CCO)c1c[nH]nc1C 1324253502 GCCRKPJGOGAGCT-UHFFFAOYSA-N 210.237 -0.059 50 20 BBGD C[C@@H](O)CN(C)NC(=O)[C@H]1CCN(C)C(=O)C1 1332629353 MHFAKVJQBAIFMV-BDAKNGLRSA-N 243.307 -0.801 50 20 BBGD CC[C@H](CO)C(=O)NNC(=O)Cc1cc[nH]n1 1353871975 JLDHGTVGIVYCOF-SSDOTTSWSA-N 240.263 -0.882 50 20 BBGD C[C@@H](CC(=O)O)C(=O)NN(C)C[C@@H](C)O 1593456540 IWZCTKPZKXAXCZ-NKWVEPMBSA-N 218.253 -0.559 50 20 BBGD CCO/C=C(/C#N)C(=O)N(C)CC(=O)O 1596862120 MZJDYLCAOMZVMU-SREVYHEPSA-N 212.205 -0.027 50 20 BBGD C=C[C@H](NNC(=O)COCC)C(=O)O 1602819065 LZVSQXIOHBNIIW-LURJTMIESA-N 202.210 -0.717 50 20 BBGD CC[C@@H](C(=O)O)C(=O)NNc1ccn(C)n1 1604877823 CEVMABPSSZRLPX-ZCFIWIBFSA-N 226.236 -0.026 50 20 BBGD COC(=O)NNC(=O)c1cc(C(=O)O)ccn1 1606494917 PPPIUXXXWJSQNI-UHFFFAOYSA-N 239.187 -0.219 50 20 BBGD CN1C[C@H](C(=O)NNc2cccnn2)CC1=O 265494808 ABCGABCCETVHMS-SSDOTTSWSA-N 235.247 -0.602 50 20 BBGD CN(NC(=O)[C@@H]1CCCN1C)C(N)=O 272132857 BYAMLOCQCDSAGJ-LURJTMIESA-N 200.242 -0.878 50 20 BBGD CCO/C=C(/C#N)C(=O)N1CC(O)(CC#N)C1 490663916 MLSGBHGWNPDVAC-TWGQIWQCSA-N 235.243 -0.083 50 20 BBGD C/C(=C\C(=O)NCB(O)O)c1ccco1 585062485 JQHDPOYXJKMZII-FNORWQNLSA-N 209.010 -0.189 50 20 BBGD Cc1n[nH]cc1C(=O)NNC(=O)[C@H](C)N(C)C 750612510 PGXAMTGPYFLICY-ZETCQYMHSA-N 239.279 -0.571 50 20 BBGD O=C(CO)NNC(=O)CCc1cccnc1 753439067 JMDDEUKAKNGQGK-UHFFFAOYSA-N 223.232 -0.846 50 20 BBGD CC(C)c1cccc(C(=O)NNC(=O)CO)n1 753440275 YXHSXQOPNIYKAA-UHFFFAOYSA-N 237.259 -0.042 50 20 BBGD CCCNC(=O)CCC(=O)NN(C)C(N)=O 770437958 DZSVHJWGOHGZJC-UHFFFAOYSA-N 230.268 -0.666 50 20 BBGD CCOc1ncccc1C(=O)NNC(=O)CO 777782959 ZDPCDHPHCQTMMR-UHFFFAOYSA-N 239.231 -0.766 50 20 BBGD CCNC(=O)N(C)NC(=O)c1cncn1C 809745074 DAOBRQTYFHJHFC-UHFFFAOYSA-N 225.252 -0.274 50 20 BBGD CCOCCC(=O)NN(C)[C@H](C)CO 823960009 UEGOEEIQBCAIEW-MRVPVSSYSA-N 204.270 -0.243 50 20 BBGD C=C[C@H](O)C(=O)NNC(=O)OCC(F)(F)F 856019163 QTDQEUSQZBYMQO-BYPYZUCNSA-N 242.153 -0.147 50 20 BBGD CC(C)(C)C(=O)NNC(=O)[C@@H]1CCCNC1=O 864889003 LSTMEKBPTOHEPA-SSDOTTSWSA-N 241.291 -0.294 50 20 BBGD OCC1(CNCc2ccc(B(O)O)cc2)CC1 877078195 HOIVOXONHUKCHL-UHFFFAOYSA-N 235.092 -0.772 50 20 BBGD C[C@@H]1CCN1C(=O)NNC(=O)[C@H]1CCC(=O)N1 883737913 MXFAKXKTDFZOOJ-RNFRBKRXSA-N 240.263 -0.900 50 20 BBGD CC(C)C(=O)NNC(=O)CN1C[C@H]2C[C@@H]2C1 886348186 IEYDEZYVVQZWSS-RKDXNWHRSA-N 225.292 -0.259 50 20 BBGD C#CCCCC(=O)NNC(=O)[C@](C)(O)COC 887145429 DJLITBQQVWUVAG-LLVKDONJSA-N 242.275 -0.665 50 20 BBGD C=C[C@@H]1OCC[C@H]1C(=O)NN(C)C[C@H](C)O 910144188 FDQSNEGCUMXGGC-AEJSXWLSSA-N 228.292 -0.079 50 20 BBGD N#CC1=CCN(C(=O)C(=O)NC2CC2)CC1 1116597477 LWTLQBQXSKUHAZ-UHFFFAOYSA-N 219.244 -0.053 50 20 BBGD Cn1ccc(NNC(=O)[C@H]2COCCO2)n1 1320983348 ZSENIWMXLCNMJO-SSDOTTSWSA-N 226.236 -0.721 50 20 BBGD CCNC(=S)NNC(=O)c1cnn(C)c1 1321899609 YWLOQLBGSWFKTA-UHFFFAOYSA-N 227.293 -0.451 50 20 BBGD NC(=O)c1cnccc1N1CC[C@@H](B(O)O)C1 1335434792 WUADJPACIQQMNF-SSDOTTSWSA-N 235.052 -0.766 50 20 BBGD CC[C@@H](F)C(=O)NNC(=O)c1ncccn1 1339046439 ZWMZKBRRIAGEHC-ZCFIWIBFSA-N 226.211 -0.014 50 20 BBGD COCCCNC(=O)NNC(=O)C(C)(C)C#N 49167296 DEYWCPGPVVREPL-UHFFFAOYSA-N 242.279 -0.097 50 20 BBGD C[C@@H]1C[C@H](C(=O)O)CCC1=NNC(=O)CO 382033830 VDVVENOWIDNSCA-RNFRBKRXSA-N 228.248 -0.028 50 20 BBGD COC(=O)N(C)NC(=O)C1=NN(C)C(=O)CC1 495628663 JVKBVKZHIBRART-UHFFFAOYSA-N 242.235 -0.676 50 20 BBGD CCN(C(=O)c1cccc(B(O)O)c1)C1COC1 584995059 IKEMCXXWPJQRHD-UHFFFAOYSA-N 249.075 -0.773 50 20 BBGD Cc1cc(CNCc2ccc(B(O)O)cc2)no1 585019167 DUMQNTVSWPFSHT-UHFFFAOYSA-N 246.075 -0.047 50 20 BBGD O=C(NCB(O)O)c1ccc(-n2ccnn2)cc1 585061455 SMDVOXRWTZOJBG-UHFFFAOYSA-N 246.035 -0.991 50 20 BBGD CC[C@H](C)n1ncc(C(=O)NCB(O)O)c1C 585062439 HSSIOHFSBKWJCB-ZETCQYMHSA-N 239.084 -0.096 50 20 BBGD CC[C@H](CO)C(=O)NNc1cnccn1 779843043 AUNGZUMYRWXCKI-SSDOTTSWSA-N 210.237 -0.062 50 20 BBGD COC(OC)C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 824015682 CNCQZPVUGCJPTF-RNFRBKRXSA-N 246.263 -0.822 50 20 BBGD COC/C=C/C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 843970412 FQDQUAISLMHWCR-HUGTUPKYSA-N 242.275 -0.239 50 20 BBGD COC[C@H](OC)C(=O)NN(C)C1CC1 854983755 SCEHBQCAPIOWGD-QMMMGPOBSA-N 202.254 -0.227 50 20 BBGD COc1ncc(C(=O)NN(C)C[C@@H](C)O)cn1 910168694 VBWBNKCJZZHPIG-SSDOTTSWSA-N 240.263 -0.557 50 20 BBGD CC[C@@H](NC(=O)CCl)C(=O)N1CCOCC1 1116438692 XYHDNCRFGNERKC-MRVPVSSYSA-N 248.710 -0.021 50 20 BBGD COC(=O)NNC(=O)c1cc(C)ncn1 1116604343 QDTMRERALSAQGS-UHFFFAOYSA-N 210.193 -0.214 50 20 BBGD CC(C)(O)C(=O)NNC(=O)[C@@]1(C)CCOC1 1326461075 RCAIKJZWWKLTLC-JTQLQIEISA-N 230.264 -0.669 50 20 BBGD COC(OC)C(=O)NNC(=S)NC(C)C 1330183314 ILTDMCNCRLEREO-UHFFFAOYSA-N 235.309 -0.491 50 20 BBGD CCN(CCO)NC(=O)c1cc(N)ccn1 1521671584 SQOKNUJKPXWHNM-UHFFFAOYSA-N 224.264 -0.377 50 20 BBGD CN(N)C(=O)C1=CS(=O)(=O)CCC1 1573877156 GGDWMVKIKHZWTA-UHFFFAOYSA-N 204.251 -0.589 50 20 BBGD CC(=O)NNC(=O)C1=C2CCN=C2NC=C1 1575015102 MKDVZFYZNASVOF-UHFFFAOYSA-N 220.232 -0.631 50 20 BBGD Cc1csc(NC(=O)NNC(=O)CCO)n1 161141438 DVZOHUOXKATNAX-UHFFFAOYSA-N 244.276 -0.013 50 20 BBGD COCCC(=O)NNC(=O)c1ccncc1 171347327 PWIFDLLMCIQFJH-UHFFFAOYSA-N 223.232 -0.121 50 20 BBGD CC(C)(C)CC(=O)NNC(=O)[C@H]1COCCO1 171482988 BMZVWRFFWUUKDE-MRVPVSSYSA-N 244.291 -0.015 50 20 BBGD CCNC(=O)N(C)NC(=O)CN(C)C(=O)OC 272714683 YMJZDSAKXUDKSF-UHFFFAOYSA-N 246.267 -0.623 50 20 BBGD CC(C)(C)OC(=O)NNC(=O)c1cnn[nH]1 490732767 BWNWBTLWMQKCQN-UHFFFAOYSA-N 227.224 -0.026 50 20 BBGD COc1ncc(/C=C/C(=O)NNC(C)=O)cn1 492711478 TWGYESVTHYAQAE-ONEGZZNKSA-N 236.231 -0.334 50 20 BBGD C[C@@H]1OC(=O)N[C@@H]1C(=O)NNC(=O)CC1CC1 496570693 KTMCTHFHFMEQJT-XNCJUZBTSA-N 241.247 -0.569 50 20 BBGD CN(CC1CC1)C(=O)c1cccc(B(O)O)c1 584932407 TYSFWJGDUBKRMV-UHFFFAOYSA-N 233.076 -0.152 50 20 BBGD OB(O)c1ccccc1CNC[C@@H]1CCOC1 585018322 UVEQIUROCACUQR-JTQLQIEISA-N 235.092 -0.508 50 20 BBGD CC[C@@H](OC1CCCC1)C(=O)NCB(O)O 585059273 HEYGDLHPCJKCET-SECBINFHSA-N 229.085 -0.148 50 20 BBGD COc1cccc(CCC(=O)NCB(O)O)c1 585061492 ZEJHTTQLYMFCSB-UHFFFAOYSA-N 237.064 -0.244 50 20 BBGD CCOCCC(=O)NNC(=O)N1CCOCC1 728189680 QBFJOBKWNKJXNA-UHFFFAOYSA-N 245.279 -0.514 50 20 BBGD Cn1cc(CC(=O)NNC(=O)NC2CC2)cn1 751368666 IZWIIZKGTRSAJL-UHFFFAOYSA-N 237.263 -0.545 50 20 BBGD C=CCCOCCCCC(=O)NNC(=O)CO 753438804 JAWYKRARQVMNPQ-UHFFFAOYSA-N 244.291 -0.111 50 20 BBGD CC(C)(O)C(=O)NNC(=O)[C@@H]1CCCCO1 768243243 BVPSXFRFQFUDEH-ZETCQYMHSA-N 230.264 -0.526 50 20 BBGD CCNC(=O)N(C)N=Cc1cn(C)nn1 769592094 LYVKFKUMDPATAX-UHFFFAOYSA-N 210.241 -0.190 50 20 BBGD Cc1n[nH]cc1C(=O)NNC(=O)C1(O)CCC1 772900798 YONBIKIRMGEOLH-UHFFFAOYSA-N 238.247 -0.606 50 20 BBGD CCC(CC)NC(=O)C(=O)NNC(=O)CC#N 773122849 WCRVMUGESNXFHZ-UHFFFAOYSA-N 240.263 -0.648 50 20 BBGD CNC(=O)NNC(=O)C(C)(C)OC(C)=O 779616477 TYTLHFDNUZAXIB-UHFFFAOYSA-N 217.225 -0.712 50 20 BBGD O=C(CO)NNC(=O)Nc1cc(Cl)ccn1 794355001 ZKAQSMYUZPMVLF-UHFFFAOYSA-N 244.638 -0.120 50 20 BBGD CCn1nncc1C(=O)NN(C)[C@@H](C)CO 823918722 ZZEGJBIIRGWKSU-ZETCQYMHSA-N 227.268 -0.745 50 20 BBGD CCNC(=O)N(C)NC(=O)[C@H](CC)NC 852823240 DCOLWOJSMRROJS-ZETCQYMHSA-N 216.285 -0.323 50 20 BBGD CC(F)(F)CC(=O)NNC(=O)[C@H]1CCC(=O)N1 862458550 GMEDYNVSFMJOEG-RXMQYKEDSA-N 249.217 -0.542 50 20 BBGD CC(C)CC(=O)NNC(=O)c1cnc(O)n1C 864724456 KRZFPXZMUOQJSC-UHFFFAOYSA-N 240.263 -0.067 50 20 BBGD N[C@@H](CC(=O)NNc1ncccn1)C(F)F 912380870 DEVNYOJJJXNXFA-YFKPBYRVSA-N 231.206 -0.098 50 20 BBGD O=C(NC[C@H]1COCO1)NNC(=O)C1CCC1 923857263 VJQHJJSZEFLZBQ-QMMMGPOBSA-N 243.263 -0.510 50 20 BBGD CNC(=S)N(C)NC(=O)C1(F)CCOCC1 1261877396 GURZNHYHHKDPMR-UHFFFAOYSA-N 249.311 -0.028 50 20 BBGD O=C(CCc1cnc[nH]1)NNC(=O)C1CC1 1320805299 DAPQRJILTJIQOP-UHFFFAOYSA-N 222.248 -0.100 50 20 BBGD CCO/C=C(/C#N)C(=O)N[C@H]1CCOC1=O 1329967838 ZOAFYNRJVXHRGC-UAPHAKCISA-N 224.216 -0.138 50 20 BBGD O=C(Cc1cccnc1)N1CC[C@H](B(O)O)C1 1348489803 DAEKLSYCQSZAAQ-JTQLQIEISA-N 234.064 -0.301 50 20 BBGD O=C(CO)NNC(=O)NCC=C(Cl)Cl 1526906801 VJQDOPUOGIYLGL-UHFFFAOYSA-N 242.062 -0.372 50 20 BBGD CCN(CCO)NC(=O)[C@H]1CC[C@H]1C(=O)O 1589734322 XLWIVSMFGPBHDI-JGVFFNPUSA-N 230.264 -0.557 50 20 BBGD NNC(=O)c1cc(=O)[nH]c2c1CCCC2 84668665 OFBGTQGUYDIVNQ-UHFFFAOYSA-N 207.233 -0.143 50 20 BBGD CO[C@@H](C)CC(=O)NNC(=O)CN(C)C 113427255 KWSJAFBONAVQLI-ZETCQYMHSA-N 217.269 -0.880 50 20 BBGD Cc1ncc(C(=O)NNC(=O)CN(C)C)s1 172160488 VEHKQZFDEAYUGE-UHFFFAOYSA-N 242.304 -0.226 50 20 BBGD CCOCC(=O)NNC(=O)NC[C@H](C)C#N 182779866 HASXCTQUYKLSJG-SSDOTTSWSA-N 228.252 -0.487 50 20 BBGD Cn1cncc1C(=O)NNC(=O)C1CCC1 277662934 LVFWAEDRORHJQI-UHFFFAOYSA-N 222.248 -0.019 50 20 BBGD CC[C@H](C(=O)NNC(=O)OC)C(=O)OC 283035079 UQOPOOSOWXSICD-RXMQYKEDSA-N 218.209 -0.427 50 20 BBGD O=C(c1ccc(B(O)O)cc1)N1C[C@@H]2CC[C@H]2C1 585007427 MQCVIRGBZMOKEL-QWRGUYRKSA-N 245.087 -0.152 50 20 BBGD C[C@@H]1C[C@@]1(C)NC(=O)c1ccc(B(O)O)cc1 585010671 WJNOYWHOZRBUTJ-PRHODGIISA-N 233.076 -0.105 50 20 BBGD C[C@@H](CC(C)(C)O)NCc1ccc(B(O)O)o1 585042617 ANLQULHPIBVSSC-QMMMGPOBSA-N 241.096 -0.402 50 20 BBGD CC[C@@H](NCc1ccc(B(O)O)o1)[C@H](C)O 585044715 RBDQHWDTIOVVAK-IONNQARKSA-N 227.069 -0.792 50 20 BBGD COc1ccc(C(=O)NNC(=O)CO)c(C)c1 753438417 NACKTFXTPKJPRF-UHFFFAOYSA-N 238.243 -0.243 50 20 BBGD COC[C@](C)(O)C(=O)NNc1ncccn1 754968061 SZTOXURXASFTBA-VIFPVBQESA-N 226.236 -0.683 50 20 BBGD Cc1ncc(C(=O)NNC(=O)Cc2cc[nH]n2)[nH]1 755279787 RNPAWXCHBVHCPD-UHFFFAOYSA-N 248.246 -0.555 50 20 BBGD COCC(=O)NN=C1CCS(=O)CC1 761817673 GMELTOKWAWNVNT-UHFFFAOYSA-N 218.278 -0.353 50 20 BBGD CC(C)[C@](C)(O)C(=O)NNC(=O)NC1CC1 771271451 DPJMVONVPHGHSB-JTQLQIEISA-N 229.280 -0.114 50 20 BBGD COCCCNC(=O)NNC(=O)C1(O)CCC1 772424549 VOWWJVYCBONUQM-UHFFFAOYSA-N 245.279 -0.732 50 20 BBGD C[C@H](O)C(=O)NNC(=O)c1ccc(Cl)nc1 786782925 OTGHXHDCNISLEY-YFKPBYRVSA-N 243.650 -0.123 50 20 BBGD CCOCC(=O)NNC(=O)NCCC#N 787359785 SGNXOAFKLDWNJN-UHFFFAOYSA-N 214.225 -0.733 50 20 BBGD Cc1cccnc1NNC(=O)Cn1cnnn1 791216604 YXUGHRJFBGEWFN-UHFFFAOYSA-N 233.235 -0.480 50 20 BBGD COC[C@H](C)[C@@H](C)C(=O)NNC(=O)CN(C)C 812497022 SVTSQZKULQKZRS-DTWKUNHWSA-N 245.323 -0.386 50 20 BBGD O=C(CCn1ccnn1)NNC(=O)CC1CC1 819110204 VUHATLUNZORLIF-UHFFFAOYSA-N 237.263 -0.384 50 20 BBGD CCN(CCO)NC(=O)CC1(O)CCC1 823889327 RHVSDAQLRJNVCC-UHFFFAOYSA-N 216.281 -0.363 50 20 BBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1cc[nH]n1 843648504 XSDUBACVXAYLTN-RQJHMYQMSA-N 238.247 -0.404 50 20 BBGD CO[C@@H](CC(=O)NN(C)C(N)=O)C(F)(F)F 845904556 DWGKCWVKSQRPBS-BYPYZUCNSA-N 243.185 -0.005 50 20 BBGD CNC(=O)NNC(=O)C[C@@H](C)CC(=O)OC 847384704 SRAXDIGGZTWPGN-ZCFIWIBFSA-N 231.252 -0.464 50 20 BBGD COCCN(C)NC(=O)Cc1n[nH]c(C)n1 854409433 HFDUZRDYXZZEOD-UHFFFAOYSA-N 227.268 -0.735 50 20 BBGD COCCN(C)NC(=O)[C@@H]1CC(C)=NO1 854412134 DAFJUDZSWMOJLQ-QMMMGPOBSA-N 215.253 -0.239 50 20 BBGD CC(C)(C)[C@@H](O)C(=O)NNC(=O)c1cc[nH]n1 855357162 BZQWOIQPKNTKSS-ZETCQYMHSA-N 240.263 -0.422 50 20 BBGD CO[C@@H]1CN(S(=O)(=O)CCl)CCO1 859125146 XPSJNTGUZCTZRG-LURJTMIESA-N 229.685 -0.183 50 20 BBGD Cc1cc(OCC(=O)NN(C)C[C@@H](C)O)no1 910180012 PYOKXUASNLNSGG-SSDOTTSWSA-N 243.263 -0.294 50 20 BBGD NNC(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1 917610784 UZYWDKWWRLJPHO-QMMMGPOBSA-N 234.259 -0.580 50 20 BBGD CCOC(=O)NNC(=O)C(=O)c1cccn1C 1322825114 ZGDRXLUUQOMJFZ-UHFFFAOYSA-N 239.231 -0.015 50 20 BBGD CC(C)NC(=S)NNC(=O)[C@H]1C[C@@H](O)C1 1335957047 XNUVHHWFMKCAFG-KNVOCYPGSA-N 231.321 -0.339 50 20 BBGD CCN(CCO)NC(=O)c1conc1COC 1348954315 JHOCQXWEMDFYBT-UHFFFAOYSA-N 243.263 -0.220 50 20 BBGD C[C@H](CN)C(=O)NNC(=O)NCC1CC1 1574067259 MZNYRJUQCCSSDT-ZCFIWIBFSA-N 214.269 -0.678 50 20 BBGD COCCNc1nc(CC(=O)NN)cs1 1579048142 IFKVWSZIPKFOCN-UHFFFAOYSA-N 230.293 -0.266 50 20 BBGD O=C(O)CNC(=O)NN=Cc1ccns1 1608754370 AFPKTADGLIVZOI-UHFFFAOYSA-N 228.233 -0.139 50 20 BBGD C[C@@H]1CC[C@H]1NCc1ccc(B(O)O)o1 585040848 QMLZMBHSYLZYMK-VXNVDRBHSA-N 209.054 -0.153 50 20 BBGD Cc1ccccc1COCC(=O)NCB(O)O 585063087 SEOPWCOLQDTKRS-UHFFFAOYSA-N 237.064 -0.360 50 20 BBGD CCNC(=O)NNC(=O)CCOCC 728190133 DCHSOMQITMPRJQ-UHFFFAOYSA-N 203.242 -0.237 50 20 BBGD CC[C@@H](OC)C(=O)NNc1nnc(C)c(O)n1 744313328 CVXQDAVDPYXISS-ZCFIWIBFSA-N 241.251 -0.246 50 20 BBGD Cc1cc(C=NNC(=O)C(N)=O)c(C)n1C 754895160 JLUBCUVECSIRNU-UHFFFAOYSA-N 222.248 -0.423 50 20 BBGD C[C@@H](C(=O)NNc1cnccn1)N(C)C 775278221 AGIOHRDNDJSZFL-ZETCQYMHSA-N 209.253 -0.130 50 20 BBGD COCCCOCC(=O)NNC(=O)C1CC1 775639273 RVBQEUNAXQHHFF-UHFFFAOYSA-N 230.264 -0.403 50 20 BBGD CC(C)[C@@H](O)C(=O)NNC(=O)N1CCOCC1 795819416 MQUBBOJZHPREGG-MRVPVSSYSA-N 245.279 -0.924 50 20 BBGD COc1ncc(C(=O)NN(C)[C@@H](C)CO)cn1 823960120 WDFKSGAXFSHVNM-ZETCQYMHSA-N 240.263 -0.557 50 20 BBGD CCO[C@@H]1C[C@H]1C(=O)NN(C)C(=S)NC 854925404 FQMGAPWLBIZNKP-RNFRBKRXSA-N 231.321 -0.121 50 20 BBGD O=C(c1ccc(B(O)O)cc1)N1C[C@@H]2C[C@H]2C1 863887676 RFXJEFFBNOLEME-UWVGGRQHSA-N 231.060 -0.542 50 20 BBGD COCCOCC(=O)NNC(=O)C=C(C)C 869914314 ZJGHFWQBVJDHFB-UHFFFAOYSA-N 230.264 -0.237 50 20 BBGD CC(C)NC(=O)NNC(=O)[C@]1(C)CCNC1=O 874247741 YJHMQKKDGBOSEM-SNVBAGLBSA-N 242.279 -0.749 50 20 BBGD O=C1CN(CC(=O)NNc2ccccc2)CCN1 901162049 JIVOQLSROWBFHZ-UHFFFAOYSA-N 248.286 -0.439 50 20 BBGD CCOC(=O)NCC(=O)NN(C)C[C@H](C)O 910169856 GMSXPOJSYJLRPF-ZETCQYMHSA-N 233.268 -0.924 50 20 BBGD Cc1ncc(CO)c(C=NNC(N)=O)c1O 916247834 IGAITZANDFTCMJ-UHFFFAOYSA-N 224.220 -0.410 50 20 BBGD CCNC(=O)NNC(=O)Cc1n[nH]c(C)n1 1118635376 AXFVQUVUBBCQJK-UHFFFAOYSA-N 226.240 -0.994 50 20 BBGD Cc1nc[nH]c1C(=O)NNC(=O)NC1CC1 1329832489 BGKMKIXIVONDIR-UHFFFAOYSA-N 223.236 -0.175 50 20 BBGD CCNC(=O)NNC(=O)[C@H]1COCCN1CC 1346761952 DSYMAJUXDFRYSV-MRVPVSSYSA-N 244.295 -0.943 50 20 BBGD CCO/C=C(/C#N)C(=O)N1CC(C(N)=O)C1 1347912675 WTJYFJVIBXHXAS-SREVYHEPSA-N 223.232 -0.626 50 20 BBGD C[C@@H](C(=O)N1CC[C@H](B(O)O)C1)n1cccn1 1348490507 RSXIUAJFOPONCK-IUCAKERBSA-N 237.068 -0.481 50 20 BBGD O=C(NNC(=O)[C@H]1[C@H]2CCNC[C@H]21)c1cc[nH]n1 1580736481 URCFZZMTFGSDQJ-OOZYFLPDSA-N 249.274 -0.974 50 20 BBGD CCO/C=C/C(=O)NNC(=O)N(C)C 493353070 NFYZPBKFOKPKKQ-AATRIKPKSA-N 201.226 -0.161 50 20 BBGD COC[C@@H](C)CNCc1ccc(B(O)O)cc1 585020050 VOWAHOOBRZVDRA-JTQLQIEISA-N 237.108 -0.262 50 20 BBGD COCCCCCNCc1ccc(B(O)O)o1 585020554 ATKKLIZMKSCRMQ-UHFFFAOYSA-N 241.096 -0.134 50 20 BBGD O=C(NCB(O)O)c1cccc2cc[nH]c12 585061048 JHDKBXPCQLFEFL-UHFFFAOYSA-N 218.021 -0.090 50 20 BBGD CCNC(=O)NNC(=O)[C@@H]1C[C@@H]1C(=O)OC 727374204 YIRFAKFXHLAAGC-RITPCOANSA-N 229.236 -0.854 50 20 BBGD C[C@@H](C(=O)NNC(=O)N(C)C)N(C)C 750610913 UAVZZWVCRKUROD-LURJTMIESA-N 202.258 -0.761 50 20 BBGD O=C(NNC(=O)[C@@H]1C[C@@]12CCOC2)C1CC1 763724193 XIVQJLHHSAUFKK-GZMMTYOYSA-N 224.260 -0.030 50 20 BBGD COC(=O)N(C)NC(=O)c1[nH]nnc1C 804124923 MKTWKLDQXIBFIK-UHFFFAOYSA-N 213.197 -0.544 50 20 BBGD CNC(=S)N(C)NC(=O)[C@H](O)C1CC1 854920705 HJBVNPOPXJCHKW-ZCFIWIBFSA-N 217.294 -0.775 50 20 BBGD CN(C)c1ccnc(N2CC[C@H](B(O)O)C2)n1 864234187 QHJFAQSDKMPDGJ-QMMMGPOBSA-N 236.084 -0.404 50 20 BBGD C#CCCCC(=O)NNC(=O)c1cnc[nH]1 887143310 TZHBNYXZWSOXNN-UHFFFAOYSA-N 220.232 -0.026 50 20 BBGD C[C@@H](O)CN(C)NC(=O)c1cc(C#N)ccn1 910150132 NZTPXCLTPPNLCJ-MRVPVSSYSA-N 234.259 -0.089 50 20 BBGD CC(C)[C@@H](O)C(=O)NN(C)C[C@@H](C)O 910154838 FTZLACFJZOITBJ-HTQZYQBOSA-N 204.270 -0.653 50 20 BBGD CNC(=O)NNC(=O)CCNC(C)(C)C 930586725 YQFDYGAYBSCSQA-UHFFFAOYSA-N 216.285 -0.275 50 20 BBGD C[C@@H]1OCC[C@@H]1C(=O)NN=Cc1ncnn1C 1261480076 DVXPTBQZSGAURZ-YUMQZZPRSA-N 237.263 -0.310 50 20 BBGD Cn1ccnc(NNC(=O)c2ccccn2)c1=O 1318910854 SOFSOHAYPVJVPQ-UHFFFAOYSA-N 245.242 -0.068 50 20 BBGD COC(=O)C(=O)NN=C1CCCN(C)CC1 1323039208 QGDSJZNXTITNFA-UHFFFAOYSA-N 227.264 -0.253 50 20 BBGD NC(=O)C(=O)NN=Cc1ncc(Cl)s1 1326228316 VWQPAOIDCUJYOV-UHFFFAOYSA-N 232.652 -0.268 50 20 BBGD C[C@@H](NNC(=O)CCNC(N)=O)C(F)(F)F 1330100861 XBNUSDCGMRGKIX-SCSAIBSYSA-N 242.201 -0.384 50 20 BBGD CC(=NNC(=O)C(=O)O)c1cnccn1 1589010784 IEXHRLPBXGOYBX-UHFFFAOYSA-N 208.177 -0.599 50 20 BBGD O=C(CO)NNc1ccc(C(=O)O)cn1 1601330181 PCDALTXUQARSBN-UHFFFAOYSA-N 211.177 -0.785 50 20 BBGD CC[C@H](C(=O)O)C(=O)NN(C)C(N)=O 1604878610 TVDGUKQVMPLBCP-BYPYZUCNSA-N 203.198 -0.861 50 20 BBGD O=C(CO)NNC(=O)c1ccccc1O 11638897 MTYRYWYCCCLERJ-UHFFFAOYSA-N 210.189 -0.855 50 20 BBGD COc1cccc(NNC(=O)CNC(C)=O)n1 180724217 VFRQNUZNLHWFCX-UHFFFAOYSA-N 238.247 -0.331 50 20 BBGD C#CCN1CCC(C(=O)NN(C)C(N)=O)CC1 490917925 ZUWJCUFEACKYKK-UHFFFAOYSA-N 238.291 -0.627 50 20 BBGD CCOC(=O)NNC(=O)[C@H]1CN(C)CCO1 492866346 PKQOUGCRDCEAPN-SSDOTTSWSA-N 231.252 -0.906 50 20 BBGD COC(=O)N(C)NC(=O)[C@H](C)CC(N)=O 495823466 OIVUOMRYWDYGOK-RXMQYKEDSA-N 217.225 -0.773 50 20 BBGD OB(O)c1ccccc1CNC[C@H](O)C1CCC1 585044224 BOSQFQYGZABIHL-ZDUSSCGKSA-N 249.119 -0.383 50 20 BBGD Cc1n[nH]cc1C(=O)NNC(=O)c1cn[nH]c1 732087139 VYLWJIRRCMAQHI-UHFFFAOYSA-N 234.219 -0.484 50 20 BBGD CC(C)(NC(=O)O)C(=O)NNc1ncccn1 736336589 JITVYHFLKADLJB-UHFFFAOYSA-N 239.235 -0.034 50 20 BBGD CCNC(=O)NNC(=O)[C@@H](C)c1cnn(C)c1 749923844 OLUJAFDGVUKGQC-ZETCQYMHSA-N 239.279 -0.126 50 20 BBGD C[C@@H](C(=O)NNc1cccnn1)N(C)C 753090664 URJTZEKPRUIUDU-ZETCQYMHSA-N 209.253 -0.130 50 20 BBGD CC[C@H](CO)C(=O)NNC(=O)c1ccc[nH]1 779724699 VBPXIGQKWFMXHM-SSDOTTSWSA-N 225.248 -0.206 50 20 BBGD CC[C@](C)(OC)C(=O)NNC(=O)c1cc[nH]n1 855356792 RVRCYXYZWKBUPR-JTQLQIEISA-N 240.263 -0.014 50 20 BBGD C[C@@H]1O[C@H](C)[C@H](C(=O)NNC(=O)CO)[C@@H]1C 863903825 VCZYQYVVXIRGQX-JVZYCSMKSA-N 230.264 -0.814 50 20 BBGD CC[C@@H](O)[C@H](C)C(=O)NN(C)C(N)=O 901279510 RUXHEGOPLPDHPP-NTSWFWBYSA-N 203.242 -0.565 50 20 BBGD O=C(NNc1ncccn1)C1(O)CCOCC1 1255111800 XKRKSKRSBAXCKB-UHFFFAOYSA-N 238.247 -0.539 50 20 BBGD O=C(Cn1ncnn1)NCC(Cl)Cl 1263824540 KOUOKAFCIRZXBA-UHFFFAOYSA-N 224.051 -0.407 50 20 BBGD CNC(=O)NNC(=O)COCc1ncc(C)o1 1322053063 UUAFWYLTGAVAOV-UHFFFAOYSA-N 242.235 -0.540 50 20 BBGD Cn1nncc1NNC(=O)[C@@H]1CCOC1 1327873923 KXMVCMFHJJQSNK-ZCFIWIBFSA-N 211.225 -0.705 50 20 BBGD CS(=O)(=O)CC(=O)NN=Cc1cscn1 1331723002 OPRGSKMAKILKLG-UHFFFAOYSA-N 247.301 -0.362 50 20 BBGD O=C1NCCC[C@H]1C(=O)NNc1ncccn1 1331965578 VQGQHDSSPAIWDT-SSDOTTSWSA-N 235.247 -0.554 50 20 BBGD COCCN(C)NC(=O)CCCCO 1348709126 KQXVZBVGHDEDBH-UHFFFAOYSA-N 204.270 -0.242 50 20 BBGD C[C@H](C(=O)O)C(=O)NN(C)[C@H](C)CO 1588574115 XMHUIEDLVOPARM-RITPCOANSA-N 204.226 -0.949 50 20 BBGD CC(C)(CNC(=O)NNC(=O)C(=O)O)C1CC1 1590726707 WFNMWAOMSBRUGX-UHFFFAOYSA-N 243.263 -0.162 50 20 BBGD C[C@H](CC(=O)O)CC(=O)NN(C)C[C@@H](C)O 1593457360 RTOXKIWUDQKBTO-JGVFFNPUSA-N 232.280 -0.169 50 20 BBGD C[C@@H]1CN(C2CC2)CC1=NNC(=O)C(=O)O 1594508023 PVZQPWRNCZBRGW-ZCFIWIBFSA-N 225.248 -0.343 50 20 BBGD CO[C@H](C)C(=O)NNC(=O)c1cc(C)n[nH]1 151164322 VFLGEIPMZVIOBV-ZCFIWIBFSA-N 226.236 -0.486 50 20 BBGD CNC(=O)CCN(C)S(=O)(=O)CCl 234357813 CNTPOAQTDIYFOJ-UHFFFAOYSA-N 228.701 -0.420 50 20 BBGD CCNC(=O)N(C)NC(=O)[C@@H](C)OC 271468182 YFNQTWIEQKOTDG-ZCFIWIBFSA-N 203.242 -0.286 50 20 BBGD COC(=O)N(C)NC(=O)Cc1cnn(C)c1 286524212 XTVGBEWTCZUYMD-UHFFFAOYSA-N 226.236 -0.308 50 20 BBGD CCO/C=C(/C#N)C(=O)N[C@@H]1CNC(=O)C1 490844629 QZZHDYSESJHCMV-UAPHAKCISA-N 223.232 -0.565 50 20 BBGD N#CC1(C(=O)Nc2cccc(B(O)O)c2)CCC1 584911980 JUEQTUWCDYKGQN-UHFFFAOYSA-N 244.059 -0.001 50 20 BBGD CCO[C@H](C(=O)NCB(O)O)c1ccccc1 585056232 RYKKDZQPGMWXAN-JTQLQIEISA-N 237.064 -0.108 50 20 BBGD Cc1ccc(F)c(C(=O)NCB(O)O)c1 585060338 CUYDOYVFMQTFNT-UHFFFAOYSA-N 211.001 -0.124 50 20 BBGD O=C(NCB(O)O)c1cccc2c1OCO2 585062040 PGJLVZYPWPDCRR-UHFFFAOYSA-N 222.993 -0.843 50 20 BBGD Cc1cc(NNC(=O)[C@@H]2COCCO2)ncn1 734254762 XUYLKBLKWGFQBZ-QMMMGPOBSA-N 238.247 -0.356 50 20 BBGD CCOC(=O)C1(C(=O)NN(C)C(N)=O)CCC1 778411579 GYICLPYYYBBBBU-UHFFFAOYSA-N 243.263 -0.239 50 20 BBGD CC[C@H](CO)C(=O)NNC(=O)N1CCOCC1 779750412 BQRTXYMIVHNFDP-MRVPVSSYSA-N 245.279 -0.922 50 20 BBGD CC(=NNC(=O)CO)C1CCN(C)CC1 814896000 CIGUGGUWSRHYDK-UHFFFAOYSA-N 213.281 -0.187 50 20 BBGD CCNC(=O)NNC(=O)C(C)(C)CO 847391076 PRQPTEJNPSBGFX-UHFFFAOYSA-N 203.242 -0.645 50 20 BBGD CNC(=S)N(C)NC(=O)[C@H]1C[C@]12CCOC2 854922379 HXSMWFXFURFRRW-XCBNKYQSSA-N 243.332 -0.120 50 20 BBGD C=C[C@@H](O)C(=O)NNC(=O)OCC(F)(F)F 856019166 QTDQEUSQZBYMQO-SCSAIBSYSA-N 242.153 -0.147 50 20 BBGD CC(C)(C)[C@H](O)C(=O)NNC(=O)c1cn[nH]c1 862472712 RQNGWYFPFZPJLA-SSDOTTSWSA-N 240.263 -0.422 50 20 BBGD C[C@H](C(=O)NNC(=O)N(C)C)N(C)C 874249403 UAVZZWVCRKUROD-ZCFIWIBFSA-N 202.258 -0.761 50 20 BBGD OB(O)c1cccc(CNC[C@@H]2CCCOC2)c1 876955793 CGTRUIRIMZHGPV-LBPRGKRZSA-N 249.119 -0.117 50 20 BBGD COCn1ccc(C(=O)NN(C)C[C@@H](C)O)n1 910145514 SZIXKZOATJSTIH-MRVPVSSYSA-N 242.279 -0.556 50 20 BBGD CC[C@@H](C(=O)NN(C)C[C@@H](C)O)N(C)C 910168081 ZURCAARQWXCBOY-BDAKNGLRSA-N 217.313 -0.330 50 20 BBGD CCC(=O)NNC(=O)[C@@H](C)N[C@H](CC)CO 931771006 IKKJEYGQNOFEIK-HTQZYQBOSA-N 231.296 -0.707 50 20 BBGD CNC(=O)NNC(=O)c1ccnc(C)n1 1115889550 YBVVDKMRNNBDDL-UHFFFAOYSA-N 209.209 -0.641 50 20 BBGD C[C@H](NC(N)=O)C(=O)NNc1ncncc1F 1324583005 YHFWMOWWOLDZBB-BYPYZUCNSA-N 242.214 -0.884 50 20 BBGD CC(C)(C)n1nnc(C=NNC(=O)CCO)n1 1328536305 DZRIOXDURUMPHA-UHFFFAOYSA-N 240.267 -0.739 50 20 BBGD OB(O)[C@H]1CCN(c2cncc3ncnn23)C1 1329293612 RFVKPUQCQSVKRK-ZETCQYMHSA-N 233.040 -0.823 50 20 BBGD CCNC(=O)N(C)NC(=O)CC1COC1 1339389968 XZTXHJPENSNHQE-UHFFFAOYSA-N 215.253 -0.285 50 20 BBGD CN(C)C(=O)NNC(=O)c1nccn2ccnc12 1343877340 BAOPIRSLFSHHHW-UHFFFAOYSA-N 248.246 -0.355 50 20 BBGD CC(C)OC(=O)COc1ccc(B(O)O)cc1 1351779741 BPQPSPSLVSYOHF-UHFFFAOYSA-N 238.048 -0.303 50 20 BBGD C[C@H](O)CN(C)NC(=O)C1(C(=O)O)CC=CC1 1589152647 QNNONYLLZHVIOX-QMMMGPOBSA-N 242.275 -0.249 50 20 BBGD COC(=O)[C@@H]1CCCC(=NNC(=O)C(=O)O)C1 1598787443 MGGPSTXOJXDOMH-ZCFIWIBFSA-N 242.231 -0.094 50 20 BBGD COC(=O)c1cc(C=NNC(=O)C(=O)O)c[nH]1 1598927768 DRPFFFHKHBOTHT-UHFFFAOYSA-N 239.187 -0.664 50 20 BBGD COC(=O)N1C[C@H]2C=C[C@H]1[C@@H](C(=O)NN)C2 497182656 ZDOMVVVRRUGWST-FXQIFTODSA-N 225.248 -0.381 50 20 BBGD O=C(O)c1cc2cc(B(O)O)ccc2cn1 575624788 ONNWBAAKZJTUCB-UHFFFAOYSA-N 216.989 -0.387 50 20 BBGD CCCCOCCNCc1ccc(B(O)O)o1 585019145 DIVNPLAFVFQNAA-UHFFFAOYSA-N 241.096 -0.134 50 20 BBGD C[C@@H]1C[C@@H](NCc2ccccc2B(O)O)CO1 585048439 PLKKYFHMIBUNLU-MWLCHTKSSA-N 235.092 -0.367 50 20 BBGD CC[C@@H](C)CS(=O)(=O)N1CC[C@H](B(O)O)C1 585059071 YPWKYKBNOBOVAN-BDAKNGLRSA-N 249.141 -0.089 50 20 BBGD CNC(=O)C1(C(=O)NNC(=O)C(C)C)CCC1 729966233 OOCBAVZBOOCUIV-UHFFFAOYSA-N 241.291 -0.294 50 20 BBGD O=C(CN1CCCC1=O)NNc1cnccn1 734245337 VTPGGOJTRRZJLS-UHFFFAOYSA-N 235.247 -0.458 50 20 BBGD Cc1cc(C(=O)NNC(=O)CO)c(C)n1C 753444752 QAEKHDWJEKXWMX-UHFFFAOYSA-N 225.248 -0.605 50 20 BBGD O=C(Cc1cc[nH]n1)NNC(=O)C1=COCC1 755279789 RPAHRDRRDUDDMZ-UHFFFAOYSA-N 236.231 -0.596 50 20 BBGD C[C@H]1CC(=NNC(=O)CO)CN1C1CC1 776781216 XGSWZMXVBFJZST-ZETCQYMHSA-N 211.265 -0.293 50 20 BBGD CNC(=O)NNS(=O)(=O)CCCCCl 788053385 KMHQVFQTKAKLEG-UHFFFAOYSA-N 243.716 -0.231 50 20 BBGD CCN(CCO)NC(=O)c1cc(C#N)c[nH]1 823865086 IKNBPCHIZVNMMY-UHFFFAOYSA-N 222.248 -0.155 50 20 BBGD CCOC(=O)NCC(=O)NN(C)[C@H](C)CO 823970914 MWSIXYBGVHGBSS-SSDOTTSWSA-N 233.268 -0.924 50 20 BBGD Cc1cc(C(=O)NN(C)[C@@H](C)CO)on1 823982689 CMPUVLVNKRHFLP-ZETCQYMHSA-N 213.237 -0.060 50 20 BBGD C/C=C(\CC)C(=O)NNC(=O)[C@H]1CCC(=O)N1 862458824 JPDDFOLWGAVUCM-HOOMWESVSA-N 239.275 -0.231 50 20 BBGD COCCCNC(=O)NNC(=O)[C@@H](C)N(C)C 874194847 OTLDXYOMSAAWBI-MRVPVSSYSA-N 246.311 -0.697 50 20 BBGD CCN(CCO)NC(=O)c1cn(C)nc1OC 883972856 XFNVIAXYRIVGKK-UHFFFAOYSA-N 242.279 -0.612 50 20 BBGD C[C@H](O)CN(C)NC(=O)[C@H](C)c1cnn(C)c1 910162307 DEUHIOQTZDBKJA-DTWKUNHWSA-N 240.307 -0.133 50 20 BBGD Cn1cnc(/C=C\C(=O)NNC(=O)NC2CC2)c1 930720411 CNJUTJPXISXWEX-PLNGDYQASA-N 249.274 -0.074 50 20 BBGD C=CC[C@@H](NCc1ccccc1B(O)O)C(=O)O 1119601355 BYKNUIVMMZQATQ-LLVKDONJSA-N 249.075 -0.515 50 20 BBGD COC(=O)c1cc(C=NNC(=O)CCO)c[nH]1 1319078034 MPGMYFLWMGTLJZ-UHFFFAOYSA-N 239.231 -0.366 50 20 BBGD C#Cc1ccc(C(=O)NN(C)C(N)=O)nc1 1319893032 UCURVANIEDCVPQ-UHFFFAOYSA-N 218.216 -0.282 50 20 BBGD Cn1cncc1C(=O)NNc1ncccn1 1324630140 TYQYUEQXOYFKJC-UHFFFAOYSA-N 218.220 -0.033 50 20 BBGD Cn1ncc2c(N3CC[C@@H](B(O)O)C3)ncnc21 1329294004 VGSRKSJJYBAKQK-SSDOTTSWSA-N 247.067 -0.584 50 20 BBGD CC(Cn1cccn1)=NNC(=O)CCO 1343882498 SFJHAXOHOXFEHB-UHFFFAOYSA-N 210.237 -0.242 50 20 BBGD Cn1cc(CC(=O)N2CC[C@@H](B(O)O)C2)cn1 1348489837 FBPLTHJEMQILFA-SECBINFHSA-N 237.068 -0.962 50 20 BBGD N#C/C=C\Cn1nnc(CCC(=O)O)n1 1608178759 BFSIDPORJWDSDB-UPHRSURJSA-N 207.193 -0.230 50 20 BBGD CN(C)C(=O)NNC(=O)C1(O)CCCCC1 128078447 NRERHXXPJMTDBF-UHFFFAOYSA-N 229.280 -0.016 50 20 BBGD COCCNC(=O)NNc1ncncc1F 291843869 FBRZRXRFAQHFRS-UHFFFAOYSA-N 229.215 -0.112 50 20 BBGD C[C@H]1CC[C@@H](C(=O)NNC(=O)CC#N)O1 293910494 MHQWTXDZMVEHAC-BQBZGAKWSA-N 211.221 -0.385 50 20 BBGD Cc1n[nH]cc1CN1CC[C@@H](B(O)O)C1 585076795 OLWJLRUMPHQKQE-SECBINFHSA-N 209.058 -0.233 50 20 BBGD C[C@H](NS(C)(=O)=O)C(=O)NN=C1CCCC1 728436971 VJQIRAREOQBHBN-ZETCQYMHSA-N 247.320 -0.030 50 20 BBGD Cc1nn[nH]c1C(=O)NNC(=O)c1cccn1C 790070429 RMXIZAMOXOHIGI-UHFFFAOYSA-N 248.246 -0.474 50 20 BBGD CCCn1cc(C(=O)NN(C)[C@@H](C)CO)nn1 823939171 GTLLZEWOGUTTAS-QMMMGPOBSA-N 241.295 -0.355 50 20 BBGD CC(C)(C)[C@H](O)C(=O)NNC(=O)c1cc[nH]n1 855357161 BZQWOIQPKNTKSS-SSDOTTSWSA-N 240.263 -0.422 50 20 BBGD CCOC1CC(=NNC(=O)[C@H]2CCC(=O)N2)C1 863149614 DDQXKWCWZFEULU-YGPZHTELSA-N 239.275 -0.064 50 20 BBGD C[C@@H]1CCN1C(=O)NNC(=O)c1ncccn1 883694930 QMRMLVYIEPOEGH-SSDOTTSWSA-N 235.247 -0.075 50 20 BBGD CN1CC[C@@H](C(=O)NNC(=O)C2CC2)CC1=O 906473591 RRXPMYOOANDFBN-MRVPVSSYSA-N 239.275 -0.588 50 20 BBGD CC(C[C@H]1CCOC1)=NNC(=O)C(N)=O 1116222318 JHIXEAPABMKUJE-SSDOTTSWSA-N 213.237 -0.610 50 20 BBGD CCCC(=O)NNC(=O)[C@H]1CCC(=O)N1 1118883781 IMSPFCVCSPMODX-ZCFIWIBFSA-N 213.237 -0.788 50 20 BBGD CNC(=O)NNC(=O)c1cc(C(F)F)n(C)n1 1262283261 KCQJOTGFBHOCQZ-UHFFFAOYSA-N 247.205 -0.069 50 20 BBGD CN1CCCC(=NNC(=O)CCO)CC1 1319615602 ALFTUQXKCBTHNP-UHFFFAOYSA-N 213.281 -0.043 50 20 BBGD N#CCSCC(=O)NNC(=O)C1CC1 1324230791 KQJFQZVDKDGSKR-UHFFFAOYSA-N 213.262 -0.199 50 20 BBGD CC(C)(N)C(=O)NNc1nncc(N)c1Cl 1326303909 UZSREGJRCFRXPQ-UHFFFAOYSA-N 244.686 -0.107 50 20 BBGD CCn1ccc(C(=O)NNC(=O)N(C)C)n1 1326652815 FMKDRZPCKLHABJ-UHFFFAOYSA-N 225.252 -0.181 50 20 BBGD Cn1nncc1NNC(=O)[C@H]1CCC(=O)C1 1329009231 QCNOZLPHKFVOJK-LURJTMIESA-N 223.236 -0.373 50 20 BBGD Cc1ncc(C(=O)N2CC[C@@H](B(O)O)C2)c(C)n1 1329293242 PECMYWUCTLPCKM-SECBINFHSA-N 249.079 -0.218 50 20 BBGD CNC(=O)NNC(=O)[C@H](C)c1cnccn1 1350708010 VPWBDRLULOFDMX-ZCFIWIBFSA-N 223.236 -0.460 50 20 BBGD COC1(C(=O)NN(C)C[C@H](C)O)CCOCC1 1354053034 XBWUJSGXGRRCCE-VIFPVBQESA-N 246.307 -0.474 50 20 BBGD Cc1cccnc1NNC(=O)[C@H](N)CC(N)=O 1574086280 HXFKPCPKSXRRGL-SSDOTTSWSA-N 237.263 -0.964 50 20 BBGD COC(=O)NNC(=O)[C@H]1C[C@@H](C(=O)O)C1 1598884359 WJUALECVSCTEQJ-SYDPRGILSA-N 216.193 -0.516 50 20 BBGD C[C@@]12CCC(=O)N1[C@@H](C(=O)NN)CS2 37387971 ZLBFFXYUVZFMHZ-SVGQVSJJSA-N 215.278 -0.570 50 20 BBGD Cc1nc(C(=O)NNC(=O)CO)ccc1C#N 182764093 GLNJJGYITNDKEO-UHFFFAOYSA-N 234.215 -0.985 50 20 BBGD CC(C)[C@H](O)C(=O)NNC(=O)c1cccn1C 291486227 RWCQTEJHUQOAIE-VIFPVBQESA-N 239.275 -0.197 50 20 BBGD O=C(CO)NN=C1CCC(C(=O)O)CC1 382383932 KENLUZBWJUDJIV-UHFFFAOYSA-N 214.221 -0.274 50 20 BBGD C#C[C@@H](CC)NC(=O)NNC(=O)c1cnn(C)c1 491654107 DYZVMTFVOFJDCL-VIFPVBQESA-N 249.274 -0.224 50 20 BBGD OB(O)c1cccc(CNCCN2CCC2)c1 585030751 ZBVNYTQQLOGWDL-UHFFFAOYSA-N 234.108 -0.838 50 20 BBGD C[C@@H](CNCc1ccccc1B(O)O)N(C)C 585032888 PPTFLUYCSMMAKL-JTQLQIEISA-N 236.124 -0.594 50 20 BBGD O=C(NNC(=O)[C@@H]1C[C@H]1C(=O)O)c1cccnc1 739454473 RSCHHLKXCIDUIR-HTQZYQBOSA-N 249.226 -0.437 50 20 BBGD Cc1cccc(C=NNC(=O)C(N)=O)c1O 814695873 UQHFIYWKICJYGW-UHFFFAOYSA-N 221.216 -0.364 50 20 BBGD CNc1ccc(C(=O)NNc2nc[nH]n2)cn1 816633074 MGFZAFDVCZGCMZ-UHFFFAOYSA-N 233.235 -0.002 50 20 BBGD CC(C)[C@H](O)C(=O)NNC(=O)CC1CC1 819144682 SMGANVHUFKJXOV-VIFPVBQESA-N 214.265 -0.049 50 20 BBGD COCC(=O)NN=Cc1cnc2n1CCC2 853318831 UKFDFHDMMAUXHS-UHFFFAOYSA-N 222.248 -0.074 50 20 BBGD CNC(=S)N(C)NC(=O)CCOC 854926041 QEAJQJAWYPFIAT-UHFFFAOYSA-N 205.283 -0.510 50 20 BBGD C=C(C)CNC(=O)NNC(=O)[C@H]1CCC(=O)N1 858373506 IAPXKXSTTLOTLS-SSDOTTSWSA-N 240.263 -0.829 50 20 BBGD O=C(NNC(=O)[C@@H]1CC1(F)F)c1cn[nH]c1 862469376 ISUMWBRATLDYRA-YFKPBYRVSA-N 230.174 -0.174 50 20 BBGD CN(C)S(=O)(=O)NCCCSC#N 916971565 HQHYLAUPZUZQKK-UHFFFAOYSA-N 223.323 -0.013 50 20 BBGD CCOC(=O)[C@@H]1C[C@H]1C(=O)NNC(C)=O 929182722 PIUAWHAWQUTXCQ-RNFRBKRXSA-N 214.221 -0.647 50 20 BBGD O=C(NNC(=O)c1cnc2n1CCC2)NC1CC1 1118572163 NJLBZULBEZHSIZ-UHFFFAOYSA-N 249.274 -0.064 50 20 BBGD CNC(=O)NNC(=O)c1cnc(COC)s1 1257419294 NPEICVFOSCXNGR-UHFFFAOYSA-N 244.276 -0.137 50 20 BBGD CCNC(=S)NNC(=O)c1cn[nH]c1 1331729812 HPQUIWKQLXARRR-UHFFFAOYSA-N 213.266 -0.462 50 20 BBGD C[C@@H](O)CN(C)NC(=O)CSCC#N 1332629582 UJZZXFVBOQGWMP-SSDOTTSWSA-N 217.294 -0.413 50 20 BBGD CC(=O)NNC(=O)[C@]1(C)C[C@@H](N)CCO1 1575015267 PMSZMMXNPAPXQN-CBAPKCEASA-N 215.253 -0.950 50 20 BBGD CC(=O)NNS(=O)(=O)c1cccc(C#N)c1 7405231 IXPVQLZVDKXKCW-UHFFFAOYSA-N 239.256 -0.112 50 20 BBGD Cn1cnnc1CCNC(=O)CCl 70960852 UJFUDUATUNHGFA-UHFFFAOYSA-N 202.645 -0.287 50 20 BBGD Cc1[nH]ncc1C(=O)NNC(=O)[C@H]1CCCO1 293759826 COPZDZQGTXGXSM-MRVPVSSYSA-N 238.247 -0.342 50 20 BBGD O=C(N[C@@H]1CCC[C@H]1O)c1ccc(B(O)O)cc1 584999605 YBMCFWJRWUVMJZ-GHMZBOCLSA-N 249.075 -0.990 50 20 BBGD CC[C@](C)(CO)CNCc1ccc(B(O)O)o1 585029079 CKJCFVUBDWULEQ-NSHDSACASA-N 241.096 -0.542 50 20 BBGD CC(C)NC(=O)NNC(=O)[C@H]1C[C@H]1C(=O)O 736476911 XAQDHHRAORAJNR-NTSWFWBYSA-N 229.236 -0.554 50 20 BBGD O=C(CC1CC1)NNC(=O)C(=O)N1CCCC1 748240795 KFZMUXVOXYYPHJ-UHFFFAOYSA-N 239.275 -0.444 50 20 BBGD Cc1n[nH]cc1C(=O)NNC(=O)c1cncnc1 760868452 GGAMFAYEFIZLJD-UHFFFAOYSA-N 246.230 -0.417 50 20 BBGD COC(=O)C1(C(=O)NNC(=O)N(C)C)CC1 767921166 VDWBTWKMTOXJNZ-UHFFFAOYSA-N 229.236 -0.758 50 20 BBGD CCC(=O)NNC(=O)[C@H](C)N1C[C@H](C)[C@H](O)C1 768765762 GYLFEXNEXLMORT-XHNCKOQMSA-N 243.307 -0.755 50 20 BBGD COC(C)(C)CC(=O)NNC(=O)CN(C)C 787887533 VIMABJNRCYOMDA-UHFFFAOYSA-N 231.296 -0.490 50 20 BBGD Cn1cnc(C=NNC(=O)N2CCOCC2)c1 794500313 XQCBISXVCHMHOF-UHFFFAOYSA-N 237.263 -0.204 50 20 BBGD CN(C)CC(=O)NNC(=O)C[C@@H]1CCCOC1 795070439 GCCDEGSZEVPOSA-VIFPVBQESA-N 243.307 -0.488 50 20 BBGD CCC[C@@H](NC(N)=O)C(=O)NN(C)CCOC 808074275 SFUSGYIVJNLNNZ-MRVPVSSYSA-N 246.311 -0.567 50 20 BBGD C[C@@H](C(=O)NN(C)[C@H](C)CO)N(C)C 823912963 MMRAOAALAKFFAN-SFYZADRCSA-N 203.286 -0.720 50 20 BBGD CC(C)[C@H](O)C(=O)NN(C)[C@H](C)CO 823923761 UZCYCKHAJHKDBF-SFYZADRCSA-N 204.270 -0.653 50 20 BBGD C[C@H](CO)N(C)NC(=O)C1(O)CCCC1 823947119 SOUOVLGMSFXHJO-MRVPVSSYSA-N 216.281 -0.365 50 20 BBGD C[C@@H]1CC(=NNC(=O)C(=O)N2CCCC2)CO1 842526181 NDQFVXQIQKDDCP-MRVPVSSYSA-N 239.275 -0.110 50 20 BBGD COC[C@H](OC)C(=O)NNc1cc(C)ncn1 857126728 CWLROWYYIKSGTQ-QMMMGPOBSA-N 240.263 -0.110 50 20 BBGD COC(=O)N(C)NC(=O)[C@@H](C)[C@@H]1CCC(=O)N1 861656176 BZUKORUXXJGEPJ-BQBZGAKWSA-N 243.263 -0.370 50 20 BBGD CCc1cc(C(=O)NNC(=O)N(C)C)n(C)n1 874249458 WEBVWDZRKXUCMM-UHFFFAOYSA-N 239.279 -0.102 50 20 BBGD CC(C)NC(=O)NNC(=O)[C@H]1[C@H]2C(=O)CC[C@H]21 906442539 INNQNNVZKJNJDU-FTLITQJKSA-N 239.275 -0.050 50 20 BBGD CN(NC(=O)[C@H]1CCCC(=O)N1C)C(N)=O 907185297 GUZCNPPDEOXXTN-ZCFIWIBFSA-N 228.252 -0.961 50 20 BBGD NC[C@@H](O)CC(=O)NNc1ccc(F)cc1 912448552 TZKOOXWBRSIPET-VIFPVBQESA-N 227.239 -0.022 50 20 BBGD CCCNC(=O)NNC(=O)Cn1cccn1 921041024 VCBMNXJSKSBLNH-UHFFFAOYSA-N 225.252 -0.377 50 20 BBGD CC(C)(CO)C(=O)NNC(=O)C1CCOCC1 1119682535 MSPXRUQYTFUKDA-UHFFFAOYSA-N 244.291 -0.421 50 20 BBGD NC(=O)[C@H](O)CNC(=O)C1CCC(Cl)CC1 1123758613 URFDVHDUAOAOPT-KAVNDROISA-N 248.710 -0.254 50 20 BBGD O=C(Cc1ccncc1)NNC(=O)c1cnn[nH]1 1330693742 DWDCHZFMPZMZPP-UHFFFAOYSA-N 246.230 -0.797 50 20 BBGD NC(=O)c1cccc(C=NNC(=O)CCO)c1 1341145583 RYEMGZXGRUMFBD-UHFFFAOYSA-N 235.243 -0.382 50 20 BBGD O=C(C[C@@H]1CC(=O)N1)NNC(=O)C1CCC1 1350684548 MYQLPNOIGQPRTI-ZETCQYMHSA-N 225.248 -0.788 50 20 BBGD C[C@H](O)CN(C)NC(=O)c1cnn2ccncc12 1354057494 JMKRJNAESAQYMB-QMMMGPOBSA-N 249.274 -0.313 50 20 BBGD CSc1ncc(C(=O)N(C)N)c(O)n1 1574098358 IDYPDFJFQQPMPM-UHFFFAOYSA-N 214.250 -0.150 50 20 BBGD CO/N=C/c1ccc(C(=O)NCB(O)O)cc1 585059111 ZMTXDUYYBKJVHO-AWNIVKPZSA-N 236.036 -0.591 50 20 BBGD NC(=O)C1(C(=O)NNC(=O)c2ccccc2)CC1 729257833 RYOUEYJYZDXXMU-UHFFFAOYSA-N 247.254 -0.287 50 20 BBGD CC(C)NC(=O)NNC(=O)[C@H](C)n1cncn1 729920185 JZQMMLURFFGWGH-ZETCQYMHSA-N 240.267 -0.422 50 20 BBGD C[C@@H](C(=O)NNC(=O)Cc1cc[nH]n1)N(C)C 755274932 DIEYAJNEHKVLON-ZETCQYMHSA-N 239.279 -0.950 50 20 BBGD CC(C)(O)C(=O)NNc1ncc(F)cn1 756879336 KDXHRPZYWOSTIU-UHFFFAOYSA-N 214.200 -0.170 50 20 BBGD CC(C)(O)CC(=O)NNC(=O)C1CC1 792014200 HKSIKISNUYJLDY-UHFFFAOYSA-N 200.238 -0.295 50 20 BBGD CC(=NNC(=O)C(=O)NC1CC1)c1c[nH]nc1C 814778301 ZADYBMHIXDBAHJ-UHFFFAOYSA-N 249.274 -0.163 50 20 BBGD C=CCCNC(=O)NNC(=O)[C@H]1CCC(=O)N1 858604336 KZIPIXJARXNIIC-SSDOTTSWSA-N 240.263 -0.829 50 20 BBGD O=S(=O)(CCl)NC[C@H]1COCO1 867396176 CLHACSIZKGJRRJ-YFKPBYRVSA-N 215.658 -0.525 50 20 BBGD COC(=O)N(C)NC(=O)N[C@H]1CC(=O)N(C)C1 875349588 CZPJYVBESAQURF-LURJTMIESA-N 244.251 -0.871 50 20 BBGD COCCN(C)NC(=O)[C@@H]1[C@H]2CCC(=O)[C@H]21 908115579 QMDVHYMOIQEPCP-UJNFCWOMSA-N 226.276 -0.179 50 20 BBGD O=C(CCn1ccnn1)NNC(=O)c1ccc[nH]1 915052414 VPBPSQPYESBMQN-UHFFFAOYSA-N 248.246 -0.543 50 20 BBGD Cc1ncc(C(=O)NNC(=O)N(C)C)n1C 1119528320 ZDTOVCAMWIOTEZ-UHFFFAOYSA-N 225.252 -0.355 50 20 BBGD CCc1nocc1C(=O)NN(C)C(N)=O 1261736562 OACYAJOJTOAHEY-UHFFFAOYSA-N 212.209 -0.108 50 20 BBGD CNC(=O)NNC(=O)CCOC1CCOCC1 1319081748 JSCWQASLPPNJKG-UHFFFAOYSA-N 245.279 -0.468 50 20 BBGD O=C(CC1COC1)NNC(=O)c1ccncc1 1331899368 IGPPSOUHZYNKFI-UHFFFAOYSA-N 235.243 -0.121 50 20 BBGD O=C(CCn1cnnn1)NCC(Cl)Cl 1334152902 CYKJDPIGRCYQHB-UHFFFAOYSA-N 238.078 -0.017 50 20 BBGD CNC(=O)NNC(=O)c1cc(F)c[nH]1 1343897329 XUBUUSDXWYNFDG-UHFFFAOYSA-N 200.173 -0.272 50 20 BBGD CCCC[C@H](N)C(=O)NNC(=O)c1cc[nH]n1 1577410536 MOPCJNRJKFGWEY-ZETCQYMHSA-N 239.279 -0.312 50 20 BBGD CN(C)[C@H]1CCC[C@H](C(=O)NNC(=O)CN)C1 1578411857 YMWPQFXDBWDGRT-IUCAKERBSA-N 242.323 -0.787 50 20 BBGD CC(C)C(=O)NNC(=O)CS[C@@H](C)C(=O)O 1590939208 QCPDPUMWFPLWHD-LURJTMIESA-N 248.304 -0.004 50 20 BBGD Cn1cnc(C(=O)NNC(=O)C2CC2)c1 270184674 ANSLDPCJLRGFOU-UHFFFAOYSA-N 208.221 -0.409 50 20 BBGD CCNC(=O)N(C)NC(=O)[C@@H]1CC(=O)N(C)C1 272663911 IJBOVCLDYPIYRJ-SSDOTTSWSA-N 242.279 -0.843 50 20 BBGD CCO/C=C(\C#N)C(=O)NC[C@@H](O)COC 490944074 VFKUVWREHXHGJV-BNICOGTQSA-N 228.248 -0.446 50 20 BBGD OB(O)c1ccc(CN[C@@H]2C[C@H]3CC[C@@H]2O3)cc1 585045228 FTURKHYHKLONNE-UPJWGTAASA-N 247.103 -0.224 50 20 BBGD O=C(NCB(O)O)c1ncnc2ccsc12 585062691 MAFXLNSCEXVNNP-UHFFFAOYSA-N 237.049 -0.567 50 20 BBGD Cn1nccc1C(=O)NNC(=O)c1cccnc1 745477336 WVXITDZMEAVNNT-UHFFFAOYSA-N 245.242 -0.110 50 20 BBGD O=C(CO)NNC(=O)[C@@H]1CC12CCCC2 753445367 HCPPSPFIYXDFGP-ZETCQYMHSA-N 212.249 -0.294 50 20 BBGD CO[C@@H](C)C(C)=NNC(=O)C(=O)NC1CC1 763151738 APMIDJGAMMGLTC-ZETCQYMHSA-N 227.264 -0.208 50 20 BBGD N#Cc1ccc2c(c1)C(=NNC(=O)C(N)=O)CC2 811629852 IRRPJYRWMHIXEU-UHFFFAOYSA-N 242.238 -0.190 50 20 BBGD Cc1c[nH]nc1C(=O)NN(C)[C@H](C)CO 823917822 OGYGMPNBFCRBEO-SSDOTTSWSA-N 212.253 -0.324 50 20 BBGD C[C@H](CO)N(C)NC(=O)[C@@H]1CCCCO1 823946236 GEKJSULQYQVSTM-BDAKNGLRSA-N 216.281 -0.101 50 20 BBGD C#CCOCCC(=O)NN(C)CCOC 848378250 NBYPHUSHVVWQRQ-UHFFFAOYSA-N 214.265 -0.364 50 20 BBGD C=CCNC(=S)NNC(=O)[C@H](O)C1CC1 854186233 UKJLXXUYLGILLP-SSDOTTSWSA-N 229.305 -0.561 50 20 BBGD CCOCCC(=O)NN(C)C(=S)NC 854924352 VCVJCKSJSNZSRC-UHFFFAOYSA-N 219.310 -0.120 50 20 BBGD C[C@@H](CO)COc1ccc(B(O)O)cc1 865373237 LNVYCFJWRZAPOO-QMMMGPOBSA-N 210.038 -0.626 50 20 BBGD O=C(NNC(=O)C1CSC1)c1cn[nH]c1 869385863 UATYKFGBKISIBE-UHFFFAOYSA-N 226.261 -0.466 50 20 BBGD C[C@H](O)CN(C)NC(=O)[C@@H](O)C1CCC1 910150914 WQARSMQANDBZNI-CBAPKCEASA-N 216.281 -0.509 50 20 BBGD COc1ccc(O)c(C=NNC(=O)C(N)=O)c1 1115813278 ZFJNOKPPDRAGBX-UHFFFAOYSA-N 237.215 -0.664 50 20 BBGD Cn1cc([C@H](O)C(=O)NNc2ncccn2)cn1 1116960728 FSPOOVDKMXQODP-QMMMGPOBSA-N 248.246 -0.613 50 20 BBGD N#CC1=CCN(C(=O)C2(n3cnnn3)CC2)CC1 1118695105 MHSOTGLOUCVBRG-UHFFFAOYSA-N 244.258 -0.156 50 20 BBGD Cc1nc(C)c(C(=O)N2CC[C@@H](B(O)O)C2)o1 1118916474 OLRAKNHCLGLKRP-MRVPVSSYSA-N 238.052 -0.020 50 20 BBGD CN(NC(=O)c1cccnc1F)C(N)=O 1323057453 NTBLRHXLPUSMBP-UHFFFAOYSA-N 212.184 -0.124 50 20 BBGD O=C(c1cccc(F)n1)N1CC[C@H](B(O)O)C1 1329213987 CLKGEJSRZQTEFP-ZETCQYMHSA-N 238.027 -0.090 50 20 BBGD CON(C)C(=O)[C@@H](C)NC(=O)CCl 1331910118 BTVYOQCAJZOQKA-RXMQYKEDSA-N 208.645 -0.250 50 20 BBGD NC(=O)NN=Cc1cn(Cc2cccnc2)nn1 1342195015 LOXXXVWHKOQOQE-UHFFFAOYSA-N 245.246 -0.276 50 20 BBGD O=C(NNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1)[C@@H]1CCN1 1580736410 SINKZWGDQRJJDQ-PRJMDXOYSA-N 249.274 -0.978 50 20 BBGD O=C(O)C(=O)NNc1nc(-c2ccncc2)no1 1594831770 WDJFFEVQRQVASZ-UHFFFAOYSA-N 249.186 -0.341 50 20 BBGD O=C(O)C(=O)NN=C1CN2CCC[C@H]1C2 1601638213 RYERLOPYACUEMX-LURJTMIESA-N 211.221 -0.731 50 20 BBGD Cn1cc(C(=O)NNc2ncccn2)cn1 44716366 ITRCTGYQYYMPTO-UHFFFAOYSA-N 218.220 -0.033 50 20 BBGD CC(=O)NC(C)(C)C(=O)NNC(=O)C1CC1 726765618 VXFNSXUICSATDW-UHFFFAOYSA-N 227.264 -0.542 50 20 BBGD C[C@@H]1CC/C(=C/C(=O)NNC(=O)CO)C1 753445043 DQELOQGODDDNJA-BESBCXERSA-N 212.249 -0.128 50 20 BBGD O=C(NNC(=O)c1nc[nH]n1)c1cccnc1 772707717 RNXRGBPDAZAHPY-UHFFFAOYSA-N 232.203 -0.726 50 20 BBGD CN(NC(=O)[C@@H]1CCCCN1C)C(N)=O 778414349 BDEQEMSWDNJSEB-ZETCQYMHSA-N 214.269 -0.488 50 20 BBGD CCN(CCO)NC(=O)C[C@](C)(O)C1CC1 823869760 PHIQDHPIKHRFST-NSHDSACASA-N 230.308 -0.117 50 20 BBGD C[C@@H](CO)N(C)NC(=O)c1ccc2nc[nH]c2n1 823940291 WJKWNZSTIVRPPE-ZETCQYMHSA-N 249.274 -0.085 50 20 BBGD C[C@@H]1OCC[C@H]1C(=O)NN=Cc1cnon1 842550043 UXHKIEKWOBJPEG-POYBYMJQSA-N 224.220 -0.055 50 20 BBGD CCNC(=O)NNC(=O)c1ccn(CC)n1 843775255 SFYSFYSGDGBIFE-UHFFFAOYSA-N 225.252 -0.133 50 20 BBGD CS(=O)(=O)N1CC[C@@H](NC=C(C#N)C#N)C1 844269568 XAWWCBGECSBRDF-SECBINFHSA-N 240.288 -0.459 50 20 BBGD C[C@H]1CC[C@H](C(=O)NNC(=O)CO)CC1 846636218 FRHUCCUYXDNMCY-ZKCHVHJHSA-N 214.265 -0.048 50 20 BBGD C[C@@H](C(=O)NNC(=O)[C@@H]1CCC(=O)N1)C1CC1 862456169 MZMSPSIKYIHUTB-SVRRBLITSA-N 239.275 -0.542 50 20 BBGD CC(=O)NNC(=O)c1cc2n(n1)CCO2 1117703241 YODJHXQWDWBZFJ-UHFFFAOYSA-N 210.193 -0.944 50 20 BBGD C=CC[C@@H](NCc1cccc(B(O)O)c1)C(=O)O 1262157617 KHHPMXQPYKGOGF-LLVKDONJSA-N 249.075 -0.515 50 20 BBGD C[C@@H](O)C(=O)NNC(=O)c1ccc(Cl)nc1 1321722163 OTGHXHDCNISLEY-RXMQYKEDSA-N 243.650 -0.123 50 20 BBGD CNC(=S)NNC(=O)N=c1cc[nH]cc1 1339660545 YQCIMBOEEXWOFS-UHFFFAOYSA-N 225.277 -0.366 50 20 BBGD Cn1ccnc1CCC(=O)NNC(=O)C1CC1 1348424952 PUIUFSNNFYSFQC-UHFFFAOYSA-N 236.275 -0.090 50 20 BBGD O=C(NNc1cccnn1)N[C@H]1C[C@H]2CC[C@@H]1N2 1580739967 UDBVHQCYRGLHJP-VGMNWLOBSA-N 248.290 -0.004 50 20 BBGD CCOC(=O)NNC(=O)C1=NN(C)C(=O)CC1 48411422 RXDQZQOMVPAJOU-UHFFFAOYSA-N 242.235 -0.628 50 20 BBGD CN(C)CC(=O)NNC(=O)c1ccoc1 170758181 OXPWBHXKLKWTMM-UHFFFAOYSA-N 211.221 -0.398 50 20 BBGD C=CC(=O)NCCC(=O)NN(C)C1CC1 490737137 XVPIEHZIWYNUBQ-UHFFFAOYSA-N 211.265 -0.196 50 20 BBGD O=C1CC[C@H](c2ccc(B(O)O)cc2)N1 575441803 BQHFMMPGZCIQTC-SECBINFHSA-N 205.022 -0.683 50 20 BBGD CCO[C@@H]1C[C@@H]1NCc1ccccc1B(O)O 585038358 BHINLHMFXAFGCU-NWDGAFQWSA-N 235.092 -0.367 50 20 BBGD O=C(Cc1ccc(F)c(F)c1)NCB(O)O 585060225 AYBDUFBXLLOOJA-UHFFFAOYSA-N 228.991 -0.365 50 20 BBGD CNC(=O)NNC(=O)C1(O)CCCCC1 754994553 SLWMVKFPLZVRMS-UHFFFAOYSA-N 215.253 -0.358 50 20 BBGD C[C@H]1C[C@H](C(=O)NNC(=O)C(C)(C)O)CO1 768259761 PFEOSAIQTZXIHQ-BQBZGAKWSA-N 230.264 -0.670 50 20 BBGD CC(C)(O)C(=O)NNC(=O)CC[C@H]1CCCO1 768260838 GRZWEGXYHVUDJO-MRVPVSSYSA-N 244.291 -0.136 50 20 BBGD O=C(Cc1cc[nH]n1)NNC1=N[C@H]2C=C[C@H]1C2 814953583 IHUKVWARWSDYIV-YUMQZZPRSA-N 231.259 -0.070 50 20 BBGD CCN(CCO)NC(=O)c1cnc(C)[nH]1 823855809 GTNGDADNHIMLAM-UHFFFAOYSA-N 212.253 -0.323 50 20 BBGD C[C@H](CO)N(C)NC(=O)c1cc(F)cnc1O 823913427 UJFSRQPXFDZKPK-ZCFIWIBFSA-N 243.238 -0.116 50 20 BBGD C[C@@H](CO)N(C)NC(=O)c1cnn2cccnc12 823976248 BKJCTBGGYXSWJF-QMMMGPOBSA-N 249.274 -0.313 50 20 BBGD COC(=O)NNC(=O)C(C)(C)CNC(C)=O 846629579 OMPOIQDFOTVHRU-UHFFFAOYSA-N 231.252 -0.464 50 20 BBGD CC(C)C(=O)NNC(=O)C(C)(C)CO 847289101 HDRJTWQTJAJMDF-UHFFFAOYSA-N 202.254 -0.192 50 20 BBGD CCNC(=O)N(C)NC(=O)[C@@H]1CCC[C@@H]1N 852823003 BIOCYGHXJGYLHX-SFYZADRCSA-N 228.296 -0.194 50 20 BBGD O=C(NNC(=O)c1cc[nH]n1)C1=COCCC1 855358667 RLWWCPZNAWLUQE-UHFFFAOYSA-N 236.231 -0.135 50 20 BBGD O=C(NN=c1cc[nH]cc1)[C@@]1(O)CCOC1 857482660 GDYPKYMHCAYXOM-SNVBAGLBSA-N 223.232 -0.902 50 20 BBGD COC(=O)N(C)NC(=O)NCc1nccn1C 875229434 XSCLZUWTFAKYNE-UHFFFAOYSA-N 241.251 -0.168 50 20 BBGD CNC(=O)C1(C(=O)NN(C)C[C@H](C)O)CCC1 910166495 XIYUGSYHECYJSG-QMMMGPOBSA-N 243.307 -0.754 50 20 BBGD C[C@@H](O)CN(C)NC(=O)c1ccc2nncn2c1 910168589 OYAPCGGZKUPGIY-MRVPVSSYSA-N 249.274 -0.313 50 20 BBGD CCO/C=C(/C#N)C(=O)NCc1ncn(C)n1 1116440811 UEYPMHIQLZYOFP-VURMDHGXSA-N 235.247 -0.125 50 20 BBGD CC(C)NC(=O)NNC(=O)c1cn(C)nn1 1118362417 OBUZELZRVYNHJD-UHFFFAOYSA-N 226.240 -0.833 50 20 BBGD O=C(C[C@H]1CC(=O)N1)NNc1ccc(F)cn1 1119057389 JIYJYEIKGMJBOG-SSDOTTSWSA-N 238.222 -0.058 50 20 BBGD COCCOCCC(=O)NNC(C)=O 1320259599 SKWLFRYBZNJASJ-UHFFFAOYSA-N 204.226 -0.793 50 20 BBGD COC(=O)N(C)NC(=O)[C@@H]1CCNC(=O)C1 1323786220 KGFVIURZJNCTOQ-ZCFIWIBFSA-N 229.236 -0.758 50 20 BBGD NNC(=O)[C@@H]1CC[C@H](C(F)(F)F)NC1=O 1326349495 IDXHJGABIZLMFJ-QWWZWVQMSA-N 225.170 -0.567 50 20 BBGD CNS(=O)(=O)c1cc(C(=O)NN)c(C)o1 1326595503 LDCDLFZAEHNATP-UHFFFAOYSA-N 233.249 -0.900 50 20 BBGD COC(=O)N(C)NC(=O)Cn1cncn1 1341211696 OOYFPOYNAQEKKK-UHFFFAOYSA-N 213.197 -0.993 50 20 BBGD CC(=O)NNC(=O)c1n[nH]cc1[N+](=O)[O-] 1347770390 ZPMZNIZJZXAAJS-UHFFFAOYSA-N 213.153 -0.901 50 20 BBGD CCNC(=O)NNC(=O)[C@H]1C[C@@H](N)C1(C)C 1577792699 CYSNIFQAABFQCG-RNFRBKRXSA-N 228.296 -0.290 50 20 BBGD Cn1cccc1C(=O)NNC(=O)CC(=O)O 1600978526 FYTPECCVBUDBRQ-UHFFFAOYSA-N 225.204 -0.739 50 20 BBGD CN(NC(=O)[C@@]1(C(=O)O)CC=CCC1)C(N)=O 1604195665 SYLFPOBBXWOCBQ-SNVBAGLBSA-N 241.247 -0.161 50 20 BBGD O=C(O)COCC(=O)NNc1ccnc(F)c1 1606272757 HZHWVKKVTFJAGD-UHFFFAOYSA-N 243.194 -0.235 50 20 BBGD CSC[C@@H](C)C(=O)NNC(=O)CN(C)C 113423638 FDCJARGNRRBSKV-SSDOTTSWSA-N 233.337 -0.306 50 20 BBGD CCO[C@@H](C)C(=O)NNC(=O)c1cc(C)n[nH]1 151223489 GKQOYWXMLQSFEB-ZETCQYMHSA-N 240.263 -0.096 50 20 BBGD O=C(CO)NNC(=O)c1n[nH]c2ccccc12 180953245 YFDDOGOTYUWUSK-UHFFFAOYSA-N 234.215 -0.684 50 20 BBGD O=C(CO)NNC(=O)COCc1ccccc1 182746476 PKCRLNBIRFVASY-UHFFFAOYSA-N 238.243 -0.657 50 20 BBGD O=C(CN1CCOCC1)NNc1cnccn1 272337167 OFXNZAYHXMQHOG-UHFFFAOYSA-N 237.263 -0.748 50 20 BBGD C=CCO[C@H](C)C(=O)Nc1cccc(B(O)O)c1 584911861 ZQRNIYBQOFKJFA-SECBINFHSA-N 249.075 -0.104 50 20 BBGD OCC1(CCNCc2ccc(B(O)O)o2)CC1 585044279 DOTRMTAGAMZXCO-UHFFFAOYSA-N 239.080 -0.788 50 20 BBGD O=C(NCB(O)O)c1cc2ccccc2[nH]1 585062133 DKRXOZMGEUPHKG-UHFFFAOYSA-N 218.021 -0.090 50 20 BBGD CC(C)C(=O)NNC(=O)CCSCC(=O)O 736347733 XVFNQVOWHDXTGX-UHFFFAOYSA-N 248.304 -0.002 50 20 BBGD CCOC(=O)NNC(=O)[C@@H]1C[C@H]1C(=O)O 737146851 RBEZNOAPVAWOKZ-RFZPGFLSSA-N 216.193 -0.516 50 20 BBGD CCC1(C(=O)NNC(=O)N(C)C)COC1 755253469 BZTRNBXRTGMJSF-UHFFFAOYSA-N 215.253 -0.285 50 20 BBGD CC(=O)NNC(=O)[C@H](C)N1CCSCC1 763387467 JXFWNDBEYOOZMT-ZETCQYMHSA-N 231.321 -0.409 50 20 BBGD C[C@@H]1CC[C@@H](C)N1CC(=O)NN(C)C(N)=O 778417447 TUXQQDDBYNGNGK-HTQZYQBOSA-N 228.296 -0.099 50 20 BBGD COCCN(C)NC(=O)CN1CSCC1=O 808075438 ZACHLPBUQYQNSD-UHFFFAOYSA-N 247.320 -0.871 50 20 BBGD NNC(=O)[C@H]1COCCN1C1CCCC1 825644703 FOUOZHRCTIKYJT-SECBINFHSA-N 213.281 -0.380 50 20 BBGD C=CCn1cc(C(=O)NN(C)C(=O)OC)nn1 843882703 SDSCZCRCIZJZIS-UHFFFAOYSA-N 239.235 -0.193 50 20 BBGD CC(=O)CCC(=O)NNC(=O)c1cn[nH]c1 862474735 ZBIIAHOOVDUKHX-UHFFFAOYSA-N 224.220 -0.460 50 20 BBGD COC(=O)N(C)NC(=O)NC[C@@H]1COCCO1 875128825 KOURUFJFJKKWIX-SSDOTTSWSA-N 247.251 -0.686 50 20 BBGD C[C@H](O)CN(C)NC(=O)[C@H]1CCCCO1 910160414 HXYMWTIMEPEUHQ-DTWKUNHWSA-N 216.281 -0.101 50 20 BBGD C[C@@H](C(=O)NNC(=O)c1ccc[nH]1)n1cncn1 914602994 GEYOMUOZPKNFTL-ZETCQYMHSA-N 248.246 -0.372 50 20 BBGD CCNC(=O)NNC(=O)c1cncc(OC)n1 1116762018 XWRVAAAUPLXKRG-UHFFFAOYSA-N 239.235 -0.551 50 20 BBGD CN(C)C(=O)NNC(=O)c1cc([N+](=O)[O-])n[nH]1 1117109594 JSALJSIRTRPVES-UHFFFAOYSA-N 242.195 -0.766 50 20 BBGD Cn1cc(/C=C(/C#N)C(=O)NC/C=C\CO)cn1 1261751336 VAZWTWAYCHSSEY-VBMJPKKGSA-N 246.270 -0.008 50 20 BBGD CC(=O)NNC(=O)CCCCN(C)C 1324401240 ITFPITMAZLEMKQ-UHFFFAOYSA-N 201.270 -0.114 50 20 BBGD CN(NC(=O)[C@H]1CCn2ccnc2C1)C(N)=O 1348454381 PWAFUISBUGIOQC-ZETCQYMHSA-N 237.263 -0.513 50 20 BBGD CC[C@@H](C(=O)O)C(=O)NNC(=O)c1ccc[nH]1 1604878571 QMQOUJGLQPTTKM-ZCFIWIBFSA-N 239.231 -0.114 50 20 BBGD CNC(=O)NNC(=O)c1ccc(C(=O)O)n1C 1606280825 KIWMTQCGTJPCCI-UHFFFAOYSA-N 240.219 -0.703 50 20 BBGD CC1(C)OCCC1=NNC(=O)NCC(=O)O 1609819218 CVTOXZYHGRREOH-UHFFFAOYSA-N 229.236 -0.075 50 20 BBGD COCc1cc(C=NNC(=O)C(=O)O)no1 1610268387 WAZDCAMOECMELN-UHFFFAOYSA-N 227.176 -0.644 50 20 BBGD CN(NC(=O)C(F)(F)C1(O)CCC1)C(N)=O 182637128 JBWUNQZQKYGINX-UHFFFAOYSA-N 237.206 -0.422 50 20 BBGD COCCN(C)NC(=O)c1cncc(OC)n1 297224489 XYDVOPOHNKQIFZ-UHFFFAOYSA-N 240.263 -0.292 50 20 BBGD CN(C)C(=O)NNC(=S)NC1CC1 307387568 DDPJDPGRCJMKJZ-UHFFFAOYSA-N 202.283 -0.201 50 20 BBGD OCC1(CNCc2cccc(B(O)O)c2)CCC1 585035831 ZHGBWWZHHAMZPQ-UHFFFAOYSA-N 249.119 -0.381 50 20 BBGD CC[C@@H](CNCc1ccccc1B(O)O)OC 585040176 AXSWOKITZMNTPM-NSHDSACASA-N 237.108 -0.119 50 20 BBGD CC(C)[C@H](C(=O)O)C(=O)N1CC[C@H](B(O)O)C1 585063659 DXIPXKURHRRUNB-YUMQZZPRSA-N 243.068 -0.582 50 20 BBGD CCNC(=O)NNC(=O)[C@@H](NC(=O)O)C(C)C 737123946 NPAUNIBOGDUXBA-LURJTMIESA-N 246.267 -0.371 50 20 BBGD COCCOC(=O)/C(C#N)=C\c1cn(C)nn1 741469077 MVSNNAUFNKUMRL-YVMONPNESA-N 236.231 -0.088 50 20 BBGD CC(C)n1ccc(C(=O)NNC(=O)CO)n1 753444804 QKDVTMINXQLYIN-UHFFFAOYSA-N 226.236 -0.783 50 20 BBGD COc1cc(C=NNC(=O)CO)ccc1O 776779980 UNDICYXQODEHIH-UHFFFAOYSA-N 224.216 -0.157 50 20 BBGD C[C@H]1C[C@@H](C(=O)NNC(=O)N(C)C)CO1 784148837 AQGDAELNKFWPJG-NKWVEPMBSA-N 215.253 -0.286 50 20 BBGD CC[C@@H](CO)C(=O)NN(C)C(=O)OC 804125465 OQHRSQSHBSAVLS-LURJTMIESA-N 204.226 -0.266 50 20 BBGD CO[C@@](C)(C(=O)NNC(=O)CN(C)C)C1CC1 812496225 FOLZIIFIEYGRNR-LLVKDONJSA-N 243.307 -0.490 50 20 BBGD NC(=O)C(=O)NN=C1CCCc2ccc(N)cc21 814695599 JGZBLJVNMDPMLA-UHFFFAOYSA-N 246.270 -0.089 50 20 BBGD CCNC(=O)CC(=O)NNC(=O)CC1CC1 819131791 PVSQGEYXXIBUAR-UHFFFAOYSA-N 227.264 -0.540 50 20 BBGD CC(C)C(=O)NNC(=O)[C@@H]1CC[C@@H]1C(N)=O 847290187 VMNLSKQMEAEJDY-NKWVEPMBSA-N 227.264 -0.699 50 20 BBGD COCCCC(=O)NNC(=O)COCCOC 869909534 ZLXIRMZNDSITLO-UHFFFAOYSA-N 248.279 -0.777 50 20 BBGD C[C@@H](O)CN(C)NC(=O)CNC(=O)C(C)(C)C 910177361 LBJIVJMLLMGAHJ-MRVPVSSYSA-N 245.323 -0.508 50 20 BBGD CC(C)C(=O)NNC(=O)CCCn1cncn1 918690356 ZUEWABDUVRUKAB-UHFFFAOYSA-N 239.279 -0.138 50 20 BBGD CNC(=O)NNC(=O)c1ccnc(OC)c1 1317992785 OLPGZJQIEWBLAB-UHFFFAOYSA-N 224.220 -0.336 50 20 BBGD COCC1(C(=O)NNC(C)=O)CCOCC1 1327648317 YISCZUXBVRACRH-UHFFFAOYSA-N 230.264 -0.403 50 20 BBGD CC[C@@H](CO)C(=O)NNC(=S)NC(C)C 1333074511 ZUCSDGIADWYYSA-ZETCQYMHSA-N 233.337 -0.091 50 20 BBGD N#CSCCCNC(=O)[C@@H](N)CO 1574241321 LCASPKHUMWKKQF-LURJTMIESA-N 203.267 -0.973 50 20 BBGD COC(=O)N(C)NC(=O)[C@@H]1CC[C@H]1C(=O)O 1604342284 XKKZZDHHMNAMOA-PHDIDXHHSA-N 230.220 -0.173 50 20 BBGD O=C(O)[C@@H]1CCN(S(=O)(=O)CCl)C1 1610745022 OQENVPVSAMKSGL-RXMQYKEDSA-N 227.669 -0.081 50 20 BBGD C[C@@H]1C[C@H]1C(=O)NNC(=O)N1CCOCC1 194903472 SVVARUZSADHBLO-HTQZYQBOSA-N 227.264 -0.285 50 20 BBGD O=C(CO)NN=Cc1c[nH]c(C(=O)O)c1 378687674 GDDKEANQYYWXSP-UHFFFAOYSA-N 211.177 -0.845 50 20 BBGD CCNC(=O)N(C)N=Cc1cnn(C)c1N 382387519 LDOAFXAGIDYGKY-UHFFFAOYSA-N 224.268 -0.003 50 20 BBGD CCOCCNC(=S)NNC(=O)OC 490934586 GXYRUGYAKHFKAP-UHFFFAOYSA-N 221.282 -0.242 50 20 BBGD Cn1cc(C(=O)NCB(O)O)c(C(C)(C)C)n1 585062352 GDULNJLZCXXTIH-UHFFFAOYSA-N 239.084 -0.541 50 20 BBGD CN1CCC[C@H]1C(=O)NNC(=O)NC1CC1 733868791 AJMVTAJQDNZSHX-QMMMGPOBSA-N 226.280 -0.427 50 20 BBGD COc1cccnc1CC(=O)NN(C)C(N)=O 798301836 IDKGPJUDEDCBGV-UHFFFAOYSA-N 238.247 -0.326 50 20 BBGD CCC[C@](C)(O)C(=O)NN(CC)CCO 823870107 YXKKASXZLSGQLQ-JTQLQIEISA-N 218.297 -0.117 50 20 BBGD Cc1conc1C(=O)NN(C)[C@H](C)CO 823901905 HJDNYLUKBYAZFN-SSDOTTSWSA-N 213.237 -0.060 50 20 BBGD C[C@@H](CO)N(C)NC(=O)[C@@H]1C[C@H]2CC(=O)[C@@H]1C2 823918572 YJWFPKWYEVZYMK-AXTSPUMRSA-N 240.303 -0.055 50 20 BBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)NCCF 826693188 RYIDZTBICZAQHV-RQJHMYQMSA-N 233.243 -0.289 50 20 BBGD CCNC(=O)N(C)NC(=O)[C@H]1CCCCN1 843493660 MKQGWKBHVGDYEU-MRVPVSSYSA-N 228.296 -0.179 50 20 BBGD CC[C@@H](NC(C)=O)C(=O)NNC(=O)NC1CC1 865015158 WABJLZIGMVIDKI-MRVPVSSYSA-N 242.279 -0.606 50 20 BBGD C[C@@H](O)CN(C)NC(=O)C(C)(C)CO 910160398 NMWZHWMZUCOBCY-SSDOTTSWSA-N 204.270 -0.651 50 20 BBGD C/C(Cl)=C\C(=O)NNC(=O)[C@H]1CCC(=O)N1 912978109 PQDVESYAOVFPOB-BMMSZFGTSA-N 245.666 -0.445 50 20 BBGD N#CCCCS(=O)(=O)N1CC[C@@H](B(O)O)C1 1118916852 XSRGZMZBGBAFSX-MRVPVSSYSA-N 246.097 -0.831 50 20 BBGD COCc1nocc1C(=O)NN(C)[C@H](C)CO 1119104159 IKBFDHFPZNIENP-SSDOTTSWSA-N 243.263 -0.222 50 20 BBGD NC(=O)c1ccc(NNC(=O)c2ccoc2)nn1 1319245754 XHGYPLSNCILECU-UHFFFAOYSA-N 247.214 -0.075 50 20 BBGD CCC(=NNC(=O)C(N)=O)c1cnn(C)c1 1329425543 GZXQFROTIVYVOT-UHFFFAOYSA-N 223.236 -0.864 50 20 BBGD CN(NC(=O)c1ccc(C(=O)O)[nH]1)C(N)=O 1598540678 CDKOVMPKAXWWLW-UHFFFAOYSA-N 226.192 -0.632 50 20 BBGD C[C@H](O)C(=O)NNc1ccc(-c2nn[nH]n2)cn1 1603693185 ACMCZQLBFWUDSF-YFKPBYRVSA-N 249.234 -0.914 50 20 BBGD Cc1cc(C(=O)NNC(=O)c2c[nH]nc2C)[nH]n1 109860919 COHQDOWPCHCUSF-UHFFFAOYSA-N 248.246 -0.176 50 20 BBGD COC(=O)NNC(=O)CNC(=O)OC(C)(C)C 272504374 PUIYPFPKXDZQAE-UHFFFAOYSA-N 247.251 -0.102 50 20 BBGD Cc1nonc1C(=O)NNC(=O)C1CCC1 736679623 IFJDNXAJYMIJAW-UHFFFAOYSA-N 224.220 -0.061 50 20 BBGD CCC(=O)NNC(=O)[C@H](C)N1CC[C@](C)(O)C1 748832930 LHEPRYJALHFUJX-KWQFWETISA-N 243.307 -0.611 50 20 BBGD NC(=O)c1ccc(NNC(=O)C2CC2)nn1 757408426 SYNVRDSXQOJWSU-UHFFFAOYSA-N 221.220 -0.571 50 20 BBGD O=C(CO)NNC(=O)CCc1ccncc1 777782726 KVCMEHJULISOQX-UHFFFAOYSA-N 223.232 -0.846 50 20 BBGD CC#CC(=O)NNC(=O)COc1ccccc1O 801152638 BKCICLXXDJOCJU-UHFFFAOYSA-N 248.238 -0.058 50 20 BBGD COCC1(C(=O)NNC(=O)C(C)(C)O)CCC1 803159727 PYYOFMNKYCJWIX-UHFFFAOYSA-N 244.291 -0.279 50 20 BBGD COCCCNC(=O)NNC(=O)[C@@H](O)C(C)C 813423881 BOEXJHBYFNXLIK-QMMMGPOBSA-N 247.295 -0.630 50 20 BBGD CCN(CCO)NC(=O)c1cnn(C)c1C 823842353 RFHLDJCDKKEANQ-UHFFFAOYSA-N 226.280 -0.312 50 20 BBGD CCN(CCO)NC(=O)Cc1n[nH]c(C)n1 823889209 MLNJANHWXOMNOO-UHFFFAOYSA-N 227.268 -0.999 50 20 BBGD C[C@H](CO)N(C)NC(=O)C[C@H]1CCC(=O)N1C 823918669 ZOPDBQBLHVUPQU-RKDXNWHRSA-N 243.307 -0.659 50 20 BBGD O=C(CN1CC[C@@H]2C[C@@H]2C1)NNC(=O)C1CC1 852636579 XYOOAVUQPMLFMI-NXEZZACHSA-N 237.303 -0.114 50 20 BBGD O=C(NNC(=O)[C@H]1CCC=CO1)c1cc[nH]n1 855357982 XFPUSMWAZVGTOK-MRVPVSSYSA-N 236.231 -0.137 50 20 BBGD COC(=O)N(C)NC(=O)N[C@@H](C)CN(C)C 875584045 WWDPWEYIWVRHAM-ZETCQYMHSA-N 232.284 -0.151 50 20 BBGD C/C(Cl)=C\C(=O)NNC(=O)C(=O)NC(C)C 900007773 RWTQCPKSLPVZQO-GQCTYLIASA-N 247.682 -0.199 50 20 BBGD CCNC(=O)NNC(=O)c1cccc(=O)n1C 1116387978 UCFOUOXVTBTUDF-UHFFFAOYSA-N 238.247 -0.651 50 20 BBGD COC(=O)[C@]1(NC(=O)CCl)CCOC1 1319921362 DPSYMMXLQYNHTD-QMMMGPOBSA-N 221.640 -0.327 50 20 BBGD O=C(NN=Cc1ccncc1)C(=O)NC1CC1 1321543896 FIWICPAIGCGWGK-UHFFFAOYSA-N 232.243 -0.190 50 20 BBGD C[C@H](O)CN(C)NC(=O)[C@@]1(F)CCOC1 1333346835 GHPNIEPHMBLUBX-IONNQARKSA-N 220.244 -0.541 50 20 BBGD C[C@@]1(C(=O)NNC(=O)CC2CC2)C[C@H](O)CN1 1573600444 DWZPQVKUFRKLNU-KWQFWETISA-N 241.291 -0.953 50 20 BBGD COC(=O)NNC(=O)c1c[nH]c(C(=O)O)c1 1606495156 WTFMNQYHUVYDDA-UHFFFAOYSA-N 227.176 -0.286 50 20 BBGD CCNC(=O)NNC(=O)CCNC(=O)OC 491267542 ZNBKYYGTJAPHFY-UHFFFAOYSA-N 232.240 -0.917 50 20 BBGD CCCN(C)CC(=O)NNC(=O)OC 495366382 BFXWDEVVAURWSG-UHFFFAOYSA-N 203.242 -0.285 50 20 BBGD O=C(NC1CCOCC1)c1cccc(B(O)O)c1 584932556 OTGAUUCHAAOVAF-UHFFFAOYSA-N 249.075 -0.725 50 20 BBGD COC[C@@H](C)CNCc1cccc(B(O)O)c1 585019296 IOUPXFRXPDFMBK-JTQLQIEISA-N 237.108 -0.262 50 20 BBGD OC[C@H](CC1CC1)NCc1cccc(B(O)O)c1 585029627 HZANZHXRLGDWLX-ZDUSSCGKSA-N 249.119 -0.383 50 20 BBGD C[C@H]1C[C@@H](NCc2ccc(B(O)O)o2)CCO1 585032070 PGCDYDHSYHRIIL-IUCAKERBSA-N 239.080 -0.384 50 20 BBGD Cc1nonc1C(=O)NNC(=O)c1ccc[nH]1 736665781 CVOSUMWVAAXNSD-UHFFFAOYSA-N 235.203 -0.219 50 20 BBGD C[C@@H](C(=O)NNC(=O)CO)C1CCCC1 753445610 QBHKREQCWRTQLF-SSDOTTSWSA-N 214.265 -0.048 50 20 BBGD CCCNC(=O)NNC(=O)[C@H](C)CC(=O)OC 758452532 QYFQKVIWHULGBL-SSDOTTSWSA-N 245.279 -0.074 50 20 BBGD COCCCOCC(=O)NNc1cccnn1 776232712 XDZJIHURMVTXTE-UHFFFAOYSA-N 240.263 -0.027 50 20 BBGD O=C(CCn1cncn1)NNC(=O)C1CC1 1115828644 LDFRLKZLHPZTQH-UHFFFAOYSA-N 223.236 -0.774 50 20 BBGD NC(=O)CSCC(=O)NNc1ccccn1 1116486887 RBPYZQMWOIZWCW-UHFFFAOYSA-N 240.288 -0.257 50 20 BBGD COC(=O)NNC(=O)c1cccc(C#N)n1 1261200145 NWIVFLAJHFFTRE-UHFFFAOYSA-N 220.188 -0.046 50 20 BBGD O=C(NNC(=O)[C@@H]1C[C@H]1F)NC1CC1 1263712396 CGMLHHXLACKWHH-PHDIDXHHSA-N 201.201 -0.163 50 20 BBGD CC(C)(C(=O)NNC(=O)C1CC1)S(C)(=O)=O 1318451386 LTPKMPTXOQMDSF-UHFFFAOYSA-N 248.304 -0.633 50 20 BBGD COC(=O)C(=O)NNC(=O)NOCC(C)C 1324314845 PFZFNNTZAHWOCY-UHFFFAOYSA-N 233.224 -0.923 50 20 BBGD CNC(=O)NNC(=O)c1cc(C(F)F)[nH]n1 1350577874 AIQYZMDZPASHEU-UHFFFAOYSA-N 233.178 -0.079 50 20 BBGD Cc1ncc(C(=O)NNC(=O)[C@@H]2CCN2)s1 1579876119 QYCMMPIYMSEUOB-LURJTMIESA-N 240.288 -0.426 50 20 BBGD CCO/C=C(\C#N)C(=O)N[C@](C)(CO)C(=O)O 1596864561 WWZPLWNDAIWAFG-BREXMAIKSA-N 242.231 -0.618 50 20 BBGD Cc1ccc2c(c1)C(=O)N([C@@H](C)C(=O)NN)C2=O 193524312 SQWRXADORQIPDL-ZETCQYMHSA-N 247.254 -0.031 50 20 BBGD CC(C)(C)OC(=O)NC1(CC(=O)NN)COC1 261508512 UCHCQFGXGXNFJA-UHFFFAOYSA-N 245.279 -0.340 50 20 BBGD NNC(=O)c1ccnc(N2CCCC2)n1 270203439 GYUIPRJXWNFLOH-UHFFFAOYSA-N 207.237 -0.320 50 20 BBGD COC[C@@H](NCc1ccccc1B(O)O)C1CC1 585029252 DRZXUEUFYHSETN-CYBMUJFWSA-N 249.119 -0.119 50 20 BBGD Cc1ccc(CC(=O)NCB(O)O)cc1 585061339 VZNWAUGHVNFCES-UHFFFAOYSA-N 207.038 -0.334 50 20 BBGD CCNC(=O)NNC(=O)C(C)(C)NC(C)=O 726770182 KGYJFVSYLKYPIZ-UHFFFAOYSA-N 230.268 -0.749 50 20 BBGD CCNC(=O)N(C)NC(=O)c1cn(C)cn1 780707869 BAFKCNMHDNUVOD-UHFFFAOYSA-N 225.252 -0.274 50 20 BBGD CC(C)(C)C(=O)NNC(=O)[C@H](O)C1CC1 822245078 QTASSQLSMXLJPD-SSDOTTSWSA-N 214.265 -0.049 50 20 BBGD CCN(CCO)NC(=O)[C@H]1CCCCN1C 823860463 SVDGOMVAGPQZIJ-SNVBAGLBSA-N 229.324 -0.184 50 20 BBGD C[C@H](CO)N(C)NC(=O)C1(O)CCC1 823934410 GCSRSEBCJXWDJB-SSDOTTSWSA-N 202.254 -0.755 50 20 BBGD Cc1nc(O)[nH]c1C(=O)NNC(=O)C(C)C 847289174 JVDUZIRBJBPAJJ-UHFFFAOYSA-N 226.236 -0.159 50 20 BBGD CNC(=S)N(C)NC(=O)c1cnc(C)[nH]1 854924500 WYJGCIWBDRXFET-UHFFFAOYSA-N 227.293 -0.201 50 20 BBGD CC[C@@H](C)NC(=O)NNC(=O)[C@H]1CCC(=O)N1 858100106 JXVIWHMFKIDGFT-RNFRBKRXSA-N 242.279 -0.606 50 20 BBGD C#C[C@@H](NC(=O)c1cccc(B(O)O)c1)C(C)C 863881628 UAMZNNJYXMJDIN-GFCCVEGCSA-N 245.087 -0.246 50 20 BBGD O=C(NNC(=O)[C@H]1C[C@@H](O)C1)c1ccc[nH]1 873835484 XEIUQQFOWDJPIO-KNVOCYPGSA-N 223.232 -0.453 50 20 BBGD C#CCCCNCc1ccc(B(O)O)cc1 877070549 PSFUBNFWIOJYDX-UHFFFAOYSA-N 217.077 -0.131 50 20 BBGD O=C(CSC1COC1)NNC(=O)C1CC1 901641660 JKFXRKQXRYVZIG-UHFFFAOYSA-N 230.289 -0.324 50 20 BBGD C#CCO[C@H](C)C(=O)NNC(=S)NC(C)C 1117740517 OYLMSNOLEXRALP-MRVPVSSYSA-N 243.332 -0.072 50 20 BBGD O=C(c1ncccc1O)N1CC[C@H](B(O)O)C1 1118973715 CWMFGNIFFKHSGG-ZETCQYMHSA-N 236.036 -0.524 50 20 BBGD NC(=O)C(=O)NN=Cc1nc2c(s1)CCC2 1326226913 GPMCXTJCVBRORF-UHFFFAOYSA-N 238.272 -0.433 50 20 BBGD C=C(Cl)C[C@@H](N)C(=O)NN(C)[C@@H](C)CO 1574067183 LWTBPSILFGZERO-JGVFFNPUSA-N 235.715 -0.200 50 20 BBGD CC(C)CC(=O)NNC(=O)[C@H]1C[C@H]1CN 1575521637 BJLDQLSSBLPVTM-YUMQZZPRSA-N 213.281 -0.225 50 20 BBGD Cn1ncc(N)c1C(=O)NNC(=O)C(C)(C)C 1580004974 OSYROGJGQMXAAR-UHFFFAOYSA-N 239.279 -0.191 50 20 BBGD CCO/C=C(\C#N)C(=O)NC[C@](C)(O)C(=O)O 1591765152 NOCPCPOZDWRVGS-STUBTGCMSA-N 242.231 -0.618 50 20 BBGD C[C@@H]1[C@H](Cl)[C@@H]1CNCC(=O)NCC(=O)O 1594190521 IOPFDKAZRXFVNQ-MYINAIGISA-N 234.683 -0.350 50 20 BBGD NNC(=O)[C@H]1COCC(=O)N1Cc1ccccc1 121192874 REPUUBQJBXTCPL-SNVBAGLBSA-N 249.270 -0.596 50 20 BBGD COC(=O)N[C@@H](C)C(=O)NN(C)C(=O)OC 285770266 AEGBIEROOCPPLM-YFKPBYRVSA-N 233.224 -0.540 50 20 BBGD O=C(O)C1(C(=O)N2CC[C@@H](B(O)O)C2)CCC1 585067797 VKKBJTHUYJHYQF-SSDOTTSWSA-N 241.052 -0.683 50 20 BBGD CO[C@]1(C)CC(=NNC(=O)C(N)=O)C1(C)C 746559017 QFIIGQBCCYOKHS-SNVBAGLBSA-N 227.264 -0.221 50 20 BBGD CC(C)N(C)CC(=O)NNC(=O)N(C)C 748728970 XCDQVJCQNWJFAX-UHFFFAOYSA-N 216.285 -0.371 50 20 BBGD C#Cc1ccccc1C(C)=NNC(=O)C(N)=O 753691805 BBWIAQPVHNEBLE-UHFFFAOYSA-N 229.239 -0.007 50 20 BBGD Cc1cc(C=NNC(=O)C(N)=O)cnc1Cl 760226662 XILWCFRLOSTNAI-UHFFFAOYSA-N 240.650 -0.021 50 20 BBGD CCNC(=O)NNS(=O)(=O)c1ccco1 783528602 MFAQCBWBKNIKBR-UHFFFAOYSA-N 233.249 -0.208 50 20 BBGD C=CCNC(=S)NNC(=O)CCCC(N)=O 798305108 SYBRLEPHQNFGKP-UHFFFAOYSA-N 244.320 -0.677 50 20 BBGD CNC(=O)NNC(=O)[C@@](C)(OC)C1CC1 813420266 HVRWHOXMBNULGE-VIFPVBQESA-N 215.253 -0.238 50 20 BBGD Cn1cc(C=NNC(=O)C2CC2)c(O)n1 814212708 JAPRUKLNOIENIX-UHFFFAOYSA-N 208.221 -0.014 50 20 BBGD CCN(CCO)NC(=O)c1cnn(CC)c1 823859863 BSLVBBDPPPOUAH-UHFFFAOYSA-N 226.280 -0.138 50 20 BBGD CCN(CCO)NC(=O)c1ccnc2ccnn12 823898514 YZGUSXGBMHHLJD-UHFFFAOYSA-N 249.274 -0.312 50 20 BBGD C[C@@H](CO)N(C)NC(=O)C1=COCC1 823959099 AYCMQXHDFTWXKU-ZETCQYMHSA-N 200.238 -0.366 50 20 BBGD CN(C)CC(=O)NNC(=O)[C@H]1CCC(=O)C1 844132058 CWVOAOPTBGBSON-ZETCQYMHSA-N 227.264 -0.935 50 20 BBGD C[C@H](O)CN(C)NC(=O)c1ccncn1 910159819 LCDKFKHCRLHTNX-ZETCQYMHSA-N 210.237 -0.566 50 20 BBGD COC[C@@H](OC)C(=O)NNc1ccn(C)n1 1118770151 KNWUCTYGMTVKII-SSDOTTSWSA-N 228.252 -0.475 50 20 BBGD CO[C@H](C)CC(=O)N1CC[C@@H](B(O)O)C1 1261844520 QYFYKAPHZVLFLE-HTQZYQBOSA-N 215.058 -0.513 50 20 BBGD Cc1noc(C)c1C(=O)NNC(=O)CO 1320078813 WIFUHSCJTUANFK-UHFFFAOYSA-N 213.193 -0.955 50 20 BBGD CN(N=Cc1cnc2n1CCOC2)C(N)=O 1334101098 RZKBRNJLIVIAQW-UHFFFAOYSA-N 223.236 -0.242 50 20 BBGD CCCNC(=O)NNC(=O)[C@@H](C)C(=O)O 1589676946 PXQFJZYYPHSIHK-RXMQYKEDSA-N 217.225 -0.553 50 20 BBGD CCO/C=C(/C#N)C(=O)N[C@H](CF)C(=O)O 1610035583 PJASBYGLCMXWCE-KXTMECRCSA-N 230.195 -0.031 50 20 BBGD COC(=O)C1(C(=O)NNC(=O)C2CCC2)CC1 274384236 VPJODMKZBYYOQE-UHFFFAOYSA-N 240.259 -0.113 50 20 BBGD NNC(=O)c1cc(F)cc([N+](=O)[O-])c1N 309084931 WAMLULSIZZFWDR-UHFFFAOYSA-N 214.156 -0.080 50 20 BBGD O=C(COCC1CC1)Nc1cccc(B(O)O)c1 584909248 BNUHQYJORAWCPU-UHFFFAOYSA-N 249.075 -0.269 50 20 BBGD C[C@@H]1C[C@H](NCc2ccc(B(O)O)o2)CS1 585045537 CIIRPHFKIWEDJZ-SFYZADRCSA-N 241.121 -0.057 50 20 BBGD O=C(NCB(O)O)c1cccc2[nH]ccc12 585061427 SACXYVLPTHVFMV-UHFFFAOYSA-N 218.021 -0.090 50 20 BBGD CC1(C(=O)NNC(=O)C(=O)NC2CC2)CCC1 749872891 CLUNTZJQYUKTKM-UHFFFAOYSA-N 239.275 -0.397 50 20 BBGD C#CCOCCNC(=O)NNc1ncccn1 753383480 OAZDAHGUHJHFAJ-UHFFFAOYSA-N 235.247 -0.248 50 20 BBGD CC(Cn1cccn1)=NNC(=O)C(=O)NC1CC1 814777971 KUQOOPFXMNSUFF-UHFFFAOYSA-N 249.274 -0.346 50 20 BBGD CCOCC(=O)NN=C1COCCOC1 814843026 JPXLRXMJVXVGDA-UHFFFAOYSA-N 216.237 -0.458 50 20 BBGD CCCNC(=O)CCC(=O)NN(CC)CCO 823856570 VEZPHUHHZQBHLB-UHFFFAOYSA-N 245.323 -0.362 50 20 BBGD O=C(NNC(=O)[C@@H](O)C1CC1)c1ccccn1 854121889 LTXPGNBBVGXHRO-VIFPVBQESA-N 235.243 -0.387 50 20 BBGD CS[C@H](C)C(=O)NNC(=O)c1cccnn1 882059034 GXDOGOROOWGMQX-ZCFIWIBFSA-N 240.288 -0.011 50 20 BBGD C[C@H](O)CN(C)NC(=O)[C@H](C)N(C)C 910138146 BWRUOLSBBXQWDZ-YUMQZZPRSA-N 203.286 -0.720 50 20 BBGD CCC[C@H](O)CC(=O)NN(C)C[C@H](C)O 910160585 KYRGSLXXOOXASY-IUCAKERBSA-N 218.297 -0.119 50 20 BBGD C[C@@H](O)CN(C)NC(=O)c1cccn1C 910174246 DHDYAQMIECSSHA-MRVPVSSYSA-N 211.265 -0.018 50 20 BBGD CC(=O)NNC(=O)c1ccc(C(N)=O)cc1 916556243 BASUSARATTYTHB-UHFFFAOYSA-N 221.216 -0.434 50 20 BBGD COCCOCC(=O)NNC(=O)[C@@H]1C[C@H]1F 1123842888 AJTVPIPMPNDXQC-RNFRBKRXSA-N 234.227 -0.845 50 20 BBGD CCNC(=O)NNC(=O)c1cnc(OC)nc1 1318825936 IXILQKFVEOGCRJ-UHFFFAOYSA-N 239.235 -0.551 50 20 BBGD CNC(=O)NNC(=O)[C@@H](O)CCSC 1319627605 VTVZTYMXMIVWOT-YFKPBYRVSA-N 221.282 -0.939 50 20 BBGD C/C=C(/C)C(=O)NNC(=O)CS(C)(=O)=O 1329128808 WYHOGSIWWAJNNG-XQRVVYSFSA-N 234.277 -0.855 50 20 BBGD CCCn1cc(C=NNC(=O)CCO)nn1 1332316993 BBFUPPULWPWOIL-UHFFFAOYSA-N 225.252 -0.479 50 20 BBGD CC(C)C(=O)NNC(=O)[C@@H]1NCc2n[nH]cc21 1575397857 HZYCHXIDXRTSFA-MRVPVSSYSA-N 237.263 -0.643 50 20 BBGD CNC(=O)NNC(=O)Cn1nc(C)cc1C 48644476 UUQAHRPKOIFELE-UHFFFAOYSA-N 225.252 -0.540 50 20 BBGD Cn1nccc1/C=C/C(=O)NNC(=O)NC1CC1 299240810 MJBSPSOKEFCPOY-SNAWJCMRSA-N 249.274 -0.074 50 20 BBGD CCN(CCC#N)C(=O)c1cccc(B(O)O)c1 584934718 XBHPEWZPINLQKU-UHFFFAOYSA-N 246.075 -0.258 50 20 BBGD O=C(NCB(O)O)c1ccc(F)c(F)c1 585057628 HYZNCSAHWJCNBS-UHFFFAOYSA-N 214.964 -0.293 50 20 BBGD Cc1ccc(C(=O)NCB(O)O)cc1O 585063346 XBAVCQSEESYZDW-UHFFFAOYSA-N 209.010 -0.558 50 20 BBGD O=C(NNC(=O)[C@H]1CCOC1)c1cc[nH]n1 754336221 HEVILPDCWMDRJO-LURJTMIESA-N 224.220 -0.793 50 20 BBGD CN(NC(=O)[C@@H]1C[C@@]12CCOC2)C(N)=O 764296631 CXSWQZBQCYZHND-IMTBSYHQSA-N 213.237 -0.545 50 20 BBGD CC[C@@H](C(=O)NNc1cnnn1C)C(=O)OC 816771996 JGMOOIOFRVYBEQ-LURJTMIESA-N 241.251 -0.543 50 20 BBGD CCN(CCO)NC(=O)c1cc(C)on1 823833748 HPCCYAZNYLYFGV-UHFFFAOYSA-N 213.237 -0.058 50 20 BBGD CCN(CCO)NC(=O)C1CSC1 823893485 KRPCZCMWQKNDNY-UHFFFAOYSA-N 204.295 -0.305 50 20 BBGD CN(C)C(=O)NNC(=O)C(C)(C)CO 847402887 NBJUFAIPBWDRGR-UHFFFAOYSA-N 203.242 -0.693 50 20 BBGD C=C[C@](C)(O)CC(=O)NNC(=O)c1cc[nH]n1 855355992 DNGOMCAJTSCJQK-JTQLQIEISA-N 238.247 -0.502 50 20 BBGD CC(=O)NNC(=O)[C@@H](CC(C)C)NC(C)=O 858108978 KJYUDTFBYBKUOC-SECBINFHSA-N 229.280 -0.296 50 20 BBGD NC(=O)C(=O)NN=Cc1csc(C2CC2)n1 1318011028 JCPZWWQCRIOFHA-UHFFFAOYSA-N 238.272 -0.044 50 20 BBGD O=C(Cn1cncn1)NNc1ncc(F)cn1 1319576902 NTWCSNPTZPAWLW-UHFFFAOYSA-N 237.198 -0.650 50 20 BBGD CC(C)NC(=O)C(=O)NNC(=O)C(C)(F)F 1326233686 AGKOQWVOAIRYKX-UHFFFAOYSA-N 237.206 -0.686 50 20 BBGD CCO[C@H](C)C(=O)NNc1cnnn1C 1326339895 HWJAYIJYTMGLOU-ZCFIWIBFSA-N 213.241 -0.317 50 20 BBGD O=CN1CCC[C@H]1C(=O)NNC(=O)NC1CC1 1328729656 NYMJOWAIRSQXSD-QMMMGPOBSA-N 240.263 -0.900 50 20 BBGD CNC(=O)NNC(=O)c1cc(C2CC2)nn1C 1336019974 FLDORBFBBBWCDZ-UHFFFAOYSA-N 237.263 -0.129 50 20 BBGD CC(C)CC(=O)NNC(=O)C(=O)NC(C)C 61544201 SQFYERZPISMNCB-UHFFFAOYSA-N 229.280 -0.296 50 20 BBGD CCO/C=C(\C#N)C(=O)N1CCN(C)C(=O)C1 491102939 JUZWHKNBKAWMLL-CMDGGOBGSA-N 237.259 -0.269 50 20 BBGD C[C@@H](CC#N)N(C)C(=O)c1ccc(B(O)O)cc1 584944246 ZOXMQGOJJJDPQG-VIFPVBQESA-N 246.075 -0.259 50 20 BBGD C[C@@H](CCO)CNCc1ccc(B(O)O)o1 585025958 AIQFFAXKUCGXCW-QMMMGPOBSA-N 227.069 -0.933 50 20 BBGD CCO[C@@H]1C[C@H]1NCc1ccccc1B(O)O 585038360 BHINLHMFXAFGCU-VXGBXAGGSA-N 235.092 -0.367 50 20 BBGD O=C(NCB(O)O)c1cccc(-n2ccnn2)c1 585061402 RJNFVXCSKJQVTK-UHFFFAOYSA-N 246.035 -0.991 50 20 BBGD CNC(=O)NN=Cc1cnn(CCOC)c1 743436498 XCZRQBQZAUFWQG-UHFFFAOYSA-N 225.252 -0.208 50 20 BBGD CNC(=O)NNC(=O)CN(C)[C@@H]1CCSC1 758002303 FOTQYYLQIXPIHA-SSDOTTSWSA-N 246.336 -0.616 50 20 BBGD CC(=O)N[C@H](C)C(=O)NN=c1cc[nH]cc1 780757650 VGZYCEXIIIWQKF-SSDOTTSWSA-N 222.248 -0.529 50 20 BBGD CC(C)(O)C(=O)NNC(=O)[C@H]1C[C@@H]1C1CC1 787948385 CXKMLKQZUAQCRH-SFYZADRCSA-N 226.276 -0.049 50 20 BBGD CCC(=O)NNC(=O)[C@@H](C)N(C)C[C@H](C)OC 796643425 ZJQKORIHZRMCMA-DTWKUNHWSA-N 245.323 -0.101 50 20 BBGD C[C@@H](CO)N(C)NC(=O)/C=C/c1cn(C)cn1 823384299 HVDIVBKCQPMFGC-MOVJSRMASA-N 238.291 -0.223 50 20 BBGD C=CCONC(=O)NNC(=O)[C@H]1CCO[C@@H]1C 827143382 KBYCDXVFMSVYAZ-SFYZADRCSA-N 243.263 -0.141 50 20 BBGD COC[C@H](C)CC(=O)NNC(=O)c1cc[nH]n1 855357884 SYFYIRZDQNKQFJ-SSDOTTSWSA-N 240.263 -0.157 50 20 BBGD C=C[C@@H](C)NC(=O)NNC(=O)[C@@H]1CCC(=O)N1 858292536 AUETUHLCSZEEGH-RQJHMYQMSA-N 240.263 -0.830 50 20 BBGD CNC(=S)N(C)NC(=O)[C@@H](NC=O)C(C)C 861960516 MPMMWCDJIZUNJM-ZETCQYMHSA-N 246.336 -0.776 50 20 BBGD CC(=O)NNC(=O)c1cncc(N2CCCC2)n1 864427454 PDMHOLQXQFIINL-UHFFFAOYSA-N 249.274 -0.142 50 20 BBGD CC[C@@H](NC(C)=O)C(=O)NNc1cccnn1 867356478 UWBXWWBMYYOUQE-MRVPVSSYSA-N 237.263 -0.166 50 20 BBGD CCc1noc(C(=O)NN(C)C(=O)OC)n1 902678490 LTWDDHKEFPDKSX-UHFFFAOYSA-N 228.208 -0.025 50 20 BBGD Cc1cn(C)nc1C(=O)NN(C)C[C@@H](C)O 910145923 GABLFYBFFCTIDU-MRVPVSSYSA-N 226.280 -0.314 50 20 BBGD CC(C)CNC(=O)NNC(=O)[C@H]1CCC(=O)N1 920857455 MYFQLNAGNKDRNA-SSDOTTSWSA-N 242.279 -0.749 50 20 BBGD COC(=O)N(C)NC(=O)c1ccnc(OC)n1 935908138 GEOPBEGTYYZEGD-UHFFFAOYSA-N 240.219 -0.172 50 20 BBGD CC(=O)NNC(=O)CCCn1ccnc1 1324631437 ZMOYMOYPZAIKCK-UHFFFAOYSA-N 210.237 -0.169 50 20 BBGD CCn1ccc(CC(=O)NNC(=O)NC)n1 1326477735 KFBJMUACGDTXMX-UHFFFAOYSA-N 225.252 -0.594 50 20 BBGD COCCN(CC(=O)OC)C(=O)CCl 1336909640 BTRMHMFJXMHCTI-UHFFFAOYSA-N 223.656 -0.127 50 20 BBGD C[C@H](CN)C(=O)NNc1ccc(C#N)cn1 1574067340 QJYLNPDCRRCGMA-SSDOTTSWSA-N 219.248 -0.009 50 20 BBGD CC(C)[C@H](N)C(=O)NNc1cccnn1 1574067542 ZFLCDQPXJQGBPA-QMMMGPOBSA-N 209.253 -0.097 50 20 BBGD CN1CCO[C@@H](C(=O)NNc2ncccn2)C1 81247207 VQZIGMVTDSGRDW-MRVPVSSYSA-N 237.263 -0.750 50 20 BBGD COc1nccnc1NNC(=O)[C@H]1CCOC1 131864118 AFBXWOZROMGNLO-ZETCQYMHSA-N 238.247 -0.035 50 20 BBGD O=C(/C=C/c1ccsc1)NCB(O)O 585058183 VIRIYTMZJFQETC-OWOJBTEDSA-N 211.051 -0.111 50 20 BBGD C[C@H](C#N)C(=O)NNC(=O)NCC1CC1 746167126 OZHVHVNDHPMLNQ-ZCFIWIBFSA-N 210.237 -0.114 50 20 BBGD O=C(NCC1CC1)NNC(=O)C1(O)CCC1 772423264 JRZDUMBHKRUGPU-UHFFFAOYSA-N 227.264 -0.358 50 20 BBGD CC(=O)NC(C)(C)C(=O)NN=c1cc[nH]cc1 781020396 VFQQQAHPTPMXDK-UHFFFAOYSA-N 236.275 -0.139 50 20 BBGD CC(C)NC(=O)NNC(=O)[C@@](C)(O)C1CC1 804315824 NHNGYLSIFJZNGW-JTQLQIEISA-N 229.280 -0.114 50 20 BBGD COCCN(C)NC(=O)C1=CCOCC1 819744957 KHRZCVORKPOJOX-UHFFFAOYSA-N 214.265 -0.058 50 20 BBGD CCCOCC(=O)NN(CC)CCO 823852477 IDIYCDUEZBLCFG-UHFFFAOYSA-N 204.270 -0.242 50 20 BBGD C[C@@H](CO)N(C)NC(=O)c1ccc2nn[nH]c2c1 823983015 IYTIPHSFXYTHOC-ZETCQYMHSA-N 249.274 -0.085 50 20 BBGD C[C@H]1OCCC1=NNC(=O)CS(C)(=O)=O 863187365 IYPXVSUHCNCLQR-ZCFIWIBFSA-N 234.277 -0.688 50 20 BBGD CC#CC(=O)NNC(=O)Cc1cc(C)[nH]n1 869015038 DVNHRWJNMJMZQP-UHFFFAOYSA-N 220.232 -0.569 50 20 BBGD C[C@H](O)CN(C)NC(=O)c1ccc2nc[nH]c2n1 910156956 ZMIXKFHVLYXYBF-ZETCQYMHSA-N 249.274 -0.085 50 20 BBGD Cc1ccc2ncc(C(=O)NN)c(=O)n2c1 912899974 NIOSTRVFRPLSDD-UHFFFAOYSA-N 218.216 -0.394 50 20 BBGD CC(C)C(=O)NNC(=O)NCc1cccnn1 1320934784 JXJZYLUCANQGGI-UHFFFAOYSA-N 237.263 -0.037 50 20 BBGD C[C@H](CO)N(C)NC(=O)CCc1ccn(C)n1 1332470672 RJJDXZSOJVVAKN-SECBINFHSA-N 240.307 -0.304 50 20 BBGD C[C@@H](CO)N(C)NC(=O)[C@H]1CC[C@@H](C(=O)O)C1 1573602601 YKMUQBDCLAOQPZ-XHNCKOQMSA-N 244.291 -0.169 50 20 BBGD CC(C)C(=O)NNC(=O)[C@H]1NCc2n[nH]cc21 1575397858 HZYCHXIDXRTSFA-QMMMGPOBSA-N 237.263 -0.643 50 20 BBGD CCN(CC)CC(=O)NNC(=O)CN(C)C 113426022 PUGWPSNXWKUUIW-UHFFFAOYSA-N 230.312 -0.963 50 20 BBGD Cn1cnn(CC(=O)NNc2ccncc2)c1=O 183011930 YYNLLEMMHLGPLS-UHFFFAOYSA-N 248.246 -0.880 50 20 BBGD COc1cccc(NNC(=O)[C@H](C)O)n1 183035964 LQFYSOUIOVHMIL-LURJTMIESA-N 211.221 -0.086 50 20 BBGD CO[C@@H](C(=O)NN(C)C(N)=O)C1CC1 281556356 LKKXHTDXCLXPLR-ZCFIWIBFSA-N 201.226 -0.547 50 20 BBGD N#CCCCNC(=O)c1cccc(B(O)O)c1 584974129 QYDXIHFOWWLRHT-UHFFFAOYSA-N 232.048 -0.600 50 20 BBGD O=C(NCB(O)O)c1cc(-c2ccco2)[nH]n1 585061364 WKVNRUUEILHSDF-UHFFFAOYSA-N 235.008 -0.589 50 20 BBGD COc1cccc([C@@H](C)C(=O)NCB(O)O)c1 585062687 VUWIYYPSMHISKV-MRVPVSSYSA-N 237.064 -0.073 50 20 BBGD O=C(NCB(O)O)[C@@H]1COC[C@H]1c1ccccc1 585063297 WOELZYYJEATOFS-WDEREUQCSA-N 249.075 -0.455 50 20 BBGD CCC(CC)NC(=O)C(=O)NNC(=S)NC 740772337 LLODYIRDOIOTPK-UHFFFAOYSA-N 246.336 -0.584 50 20 BBGD CN(C)C(=O)NNC(=O)C[C@@H]1CCCO1 746001762 VLONLNRGRKCHQC-ZETCQYMHSA-N 215.253 -0.142 50 20 BBGD CNC(=O)NNC(=O)CN1[C@@H](C)CC[C@@H]1C 746159461 LXQAXYRAYQDPMJ-YUMQZZPRSA-N 228.296 -0.181 50 20 BBGD C[C@@H]1C[C@H](C(=O)NNC(=O)C(C)(C)O)CO1 768259764 PFEOSAIQTZXIHQ-RQJHMYQMSA-N 230.264 -0.670 50 20 BBGD COc1cncc(C(=O)NN(C)[C@@H](C)CO)n1 823927705 DJNPAKIMOTXJDK-ZETCQYMHSA-N 240.263 -0.557 50 20 BBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)C#CC1CC1 843967952 TVOXBHWWLJBJNH-WPRPVWTQSA-N 236.271 -0.028 50 20 BBGD Cc1ncc(C(=O)NNc2cnccn2)c(N)n1 857489325 XARQPYICHRTPEG-UHFFFAOYSA-N 245.246 -0.086 50 20 BBGD CC(C)[C@H](C(=O)NN(C)C[C@H](C)O)N(C)C 910166055 RKLJLEMMOFXDOQ-VHSXEESVSA-N 231.340 -0.084 50 20 BBGD CCC[C@H](O)C(=O)NN(C)C(=O)OC 935909164 SXJMTGDZYZNKNC-LURJTMIESA-N 204.226 -0.123 50 20 BBGD CC(C)[C@H](NC=O)C(=O)NNc1cnnn1C 1118972704 JMMHEOZZUUWWTQ-QMMMGPOBSA-N 240.267 -0.971 50 20 BBGD CCN(CCO)NC(=O)c1[nH]nnc1C 1119106059 YEKYAZPSCSLONA-UHFFFAOYSA-N 213.241 -0.928 50 20 BBGD NC(=O)[C@@H]1CC[C@@H]1C(=O)NNc1ccncn1 1327112420 JCBMHQKKRWDLSQ-RQJHMYQMSA-N 235.247 -0.569 50 20 BBGD O=C(COC(F)F)NNC(=O)Cc1cc[nH]n1 1327874091 AGFHEQGJQFSZFQ-UHFFFAOYSA-N 248.189 -0.661 50 20 BBGD CC(C)NC(=S)NNC(=O)c1ncc[nH]1 1328616185 TUNXHFFRWQJEMA-UHFFFAOYSA-N 227.293 -0.073 50 20 BBGD O=C(NNc1nc[nH]n1)c1nccn2ccnc12 1328618331 HGTGXNHJDHVELP-UHFFFAOYSA-N 244.218 -0.396 50 20 BBGD Cc1cc(C(=O)N2CC[C@H](B(O)O)C2)no1 1329216254 VVMSLERRUBOTAP-ZETCQYMHSA-N 224.025 -0.328 50 20 BBGD CNC(=O)NNC(=O)[C@@]1(C)CC(C)=NO1 1353542358 UVXNEBMYQIKCQR-MRVPVSSYSA-N 214.225 -0.499 50 20 BBGD C[C@]1(C(=O)NCCCSC#N)C[C@@H](O)CN1 1573598489 YSCKVHVIMIUAKO-PSASIEDQSA-N 243.332 -0.180 50 20 BBGD NC(=O)CC(=O)NNc1ncccc1C(=O)O 1574497486 XJIYDNNGQAYHEX-UHFFFAOYSA-N 238.203 -0.902 50 20 BBGD O=C(NNC(=O)[C@H]1CCN1)c1cncc(F)c1 1580735849 FWIAGDFAAUSRBX-MRVPVSSYSA-N 238.222 -0.656 50 20 BBGD CC(=NNC(=O)C(=O)O)[C@H]1CCOC1 1589011182 SDSWCJAMAIFLJM-LURJTMIESA-N 200.194 -0.400 50 20 BBGD CNC(=O)NNC(=O)c1ccc(C(=O)O)cn1 1593793912 YIFFBQPJZQAALI-UHFFFAOYSA-N 238.203 -0.646 50 20 BBGD CN(C)C(=O)NNC(=O)c1ccc(C(=O)O)o1 1598139916 HOGXSBDHBHXJSB-UHFFFAOYSA-N 241.203 -0.106 50 20 BBGD CNC(=O)NNC(=O)c1c[nH]c(C(=O)O)c1 1598650798 MJMNRXLYPAVDPX-UHFFFAOYSA-N 226.192 -0.713 50 20 BBGD Cc1nocc1C=NNC(=O)NCC(=O)O 1610577019 IGGGKAUTBWMKPE-UHFFFAOYSA-N 226.192 -0.299 50 20 BBGD CC1(C)NC(=O)N(CCCC(=O)NN)C1=O 70152323 QTXCKNOYQGRMIK-UHFFFAOYSA-N 228.252 -0.913 50 20 BBGD CCNC(=O)NNC(=O)[C@@H]1OCC[C@@H]1C 98095344 WORBVNHTFGSDAZ-NKWVEPMBSA-N 215.253 -0.238 50 20 BBGD in-vitro CC(=O)NNC(=O)[C@@H](C)NC(=O)C1CCCC1 299211481 FYEBUSUNSJBCJB-SSDOTTSWSA-N 241.291 -0.151 50 20 BBGD COCC[C@H](CO)NS(=O)(=O)CCl 300772838 AAWPRDRMPMSESA-ZCFIWIBFSA-N 231.701 -0.501 50 20 BBGD CCO[C@H](C)C(=O)NNC(=O)Cc1cc[nH]n1 730090983 VOTUHOFGHZSSOP-SSDOTTSWSA-N 240.263 -0.475 50 20 BBGD C[C@@H]1C[C@H]1C(=O)NNC(=O)[C@@H]1CCOC1 730592336 GPAKUFFTSVHMDY-BWZBUEFSSA-N 212.249 -0.174 50 20 BBGD CN(C)C(=O)NNC(=O)Cc1ccncc1 747429433 LKYLRYSEQIIDJL-UHFFFAOYSA-N 222.248 -0.074 50 20 BBGD C=C(C)[C@H](CC(=O)NNC(=O)CO)OCC 753438553 FSOAORZZPKGMSN-QMMMGPOBSA-N 230.264 -0.503 50 20 BBGD CC(C)[C@](C)(O)C(=O)NNC(=O)C1CC1 770207754 BFDFHRNRXRHDOV-JTQLQIEISA-N 214.265 -0.049 50 20 BBGD CCNC(=O)NNS(=O)(=O)c1ccoc1 795301877 LZSOOTOMYKVRJB-UHFFFAOYSA-N 233.249 -0.208 50 20 BBGD CS(=O)(=O)N1CCC(=NNC(=O)O)CC1 829683623 WNTDTKWLHDPBBP-UHFFFAOYSA-N 235.265 -0.335 50 20 BBGD COc1nccnc1NNC(=O)[C@H](C)N(C)C 840571737 LJLFNFGYMKHGLM-ZETCQYMHSA-N 239.279 -0.122 50 20 BBGD CNC(=S)N(C)NC(=O)[C@@H]1CO[C@@H](C)C1 854919763 FADZHWMRDBZRDG-BQBZGAKWSA-N 231.321 -0.121 50 20 BBGD CNC(=S)N(C)NC(=O)CN1CCCC1=O 854927602 CQDCBWRWZUCJSF-UHFFFAOYSA-N 244.320 -0.924 50 20 BBGD COCCOCC(=O)NNC(=O)C1CC=CC1 869909826 KJIDSTLHLGHPPK-UHFFFAOYSA-N 242.275 -0.237 50 20 BBGD Cc1nonc1CNCc1cccc(B(O)O)c1 877527887 WQKWXEBIUHWMRH-UHFFFAOYSA-N 247.063 -0.652 50 20 BBGD CC(C)C(=O)NNC(=O)CN1CCN(C)CC1 1318395182 CJSALOATOCHQEU-UHFFFAOYSA-N 242.323 -0.963 50 20 BBGD CC(CC1CCOCC1)=NNC(=O)C(N)=O 1319078558 QNGSHFNNQHQYAP-UHFFFAOYSA-N 227.264 -0.220 50 20 BBGD O=C(NNC(=O)c1cnc[nH]1)NC1CC1 1328899564 LZFZGZYAOKRNFI-UHFFFAOYSA-N 209.209 -0.484 50 20 BBGD CNC(=S)N(C)NC(=O)[C@@]1(C)CCOC1 1329335296 ZJJBLGOKXLWDOF-VIFPVBQESA-N 231.321 -0.120 50 20 BBGD COC(=O)N(C)CC(=O)NNc1ccn(C)n1 1339437383 HYNQPOISMKNTCS-UHFFFAOYSA-N 241.251 -0.439 50 20 BBGD C[C@H](CO)N(C)NC(=O)CCc1nccn1C 1521670945 MLIYWDIUQYAQIZ-SECBINFHSA-N 240.307 -0.304 50 20 BBGD O=Cc1c[nH]c(C(=O)NNC(=O)C2CC2)c1 292639018 JGHGDELHCPQMDW-UHFFFAOYSA-N 221.216 -0.002 50 20 BBGD CN(C)C(=O)NN=Cc1cnc(=N)[nH]c1 389581802 HJJCRZVOCAFYBR-UHFFFAOYSA-N 208.225 -0.506 50 20 BBGD COCC(=O)NNC(=O)Nc1cccnn1 757661835 SRMOVVDTMBUDBL-UHFFFAOYSA-N 225.208 -0.724 50 20 BBGD COC[C@H](C)C(C)=NNC(=O)C(N)=O 777878077 CHYIZIQVUJRRJM-YFKPBYRVSA-N 201.226 -0.754 50 20 BBGD CNC(=O)NCC(=O)NNc1ccnc(F)c1 781359167 FZRIBPWSSQKJDG-UHFFFAOYSA-N 241.226 -0.407 50 20 BBGD COC1(C(=O)NNC(=O)C(C)C)CCOCC1 785691978 YAALJCSLEDUEEY-UHFFFAOYSA-N 244.291 -0.015 50 20 BBGD NC(=O)CCCC(=O)NN=c1cc[nH]cc1 787509538 QSAQZZNCJAOBTE-UHFFFAOYSA-N 222.248 -0.398 50 20 BBGD CCN(CC)CC(=O)NN(CC)CCO 823852413 HMGIWQCHIZKAAU-UHFFFAOYSA-N 217.313 -0.326 50 20 BBGD CCOCC(=O)NNC(=O)N[C@@H]1CO[C@@H](C)C1 828427299 LSJFXLDZEAHXPT-YUMQZZPRSA-N 245.279 -0.469 50 20 BBGD C=C[C@@](C)(O)C(=O)NNC(=O)[C@@H]1CCCCO1 854682730 GFSOZRSOORPVAX-GZMMTYOYSA-N 242.275 -0.360 50 20 BBGD C=C(CN(C)C)C(=O)NN(C)C(=S)NC 854920767 UNINPILSLDBXFC-UHFFFAOYSA-N 230.337 -0.429 50 20 BBGD C[C@H]1CC(=NNC(=O)CS(C)(=O)=O)CN1C 863187475 MONSLWXBXRTCLG-ZETCQYMHSA-N 247.320 -0.773 50 20 BBGD CC[C@]1(C(=O)NNC(=O)N(C)C)CCNC1=O 865047559 RFSTVIQYGHYLHL-JTQLQIEISA-N 242.279 -0.795 50 20 BBGD Cc1c[nH]nc1C(=O)NN(C)C[C@@H](C)O 910150523 SPBXWSUYIPCTGD-SSDOTTSWSA-N 212.253 -0.324 50 20 BBGD CC(C)=NNC(=O)[C@H]1CCS(=O)(=O)C1 912808702 OZCSGHGRKNBITA-ZETCQYMHSA-N 218.278 -0.067 50 20 BBGD CC(=O)NNC(=O)[C@H](C)OC[C@@H]1CCCO1 921073602 HKYJBENCLUCZMS-CBAPKCEASA-N 230.264 -0.262 50 20 BBGD CCC(=O)NNS(=O)(=O)c1cn(C)c(C)n1 1115962868 XYKABNHOTPBHSS-UHFFFAOYSA-N 246.292 -0.552 50 20 BBGD O=C(Cc1cc[nH]n1)NNC(=O)C(F)F 1321079513 JMBRDOJEOKRUJU-UHFFFAOYSA-N 218.163 -0.635 50 20 BBGD CC(=O)NNC(=O)[C@H]1CCc2nnc(C)n2C1 1326414049 VKOZNVHZUBFVMF-QMMMGPOBSA-N 237.263 -0.684 50 20 BBGD CCc1ncncc1C(=O)N1CC[C@@H](B(O)O)C1 1331894726 FFZXTZMYDAFGTN-MRVPVSSYSA-N 249.079 -0.272 50 20 BBGD C[C@@]12CCC(=O)N1[C@H](C(=O)NN)CS2 37387967 ZLBFFXYUVZFMHZ-YLWLKBPMSA-N 215.278 -0.570 50 20 BBGD C=CCNC(=S)NNC(=O)C1(C)COC1 281395373 YFYMLGHBOIZNMQ-UHFFFAOYSA-N 229.305 -0.296 50 20 BBGD CCn1nncc1C(=O)NNC(=O)C1CCC1 293651413 IOXFOHWTWDOLJR-UHFFFAOYSA-N 237.263 -0.141 50 20 BBGD CCO/C=C(/C#N)C(=O)NCC(=O)N(C)C 490907640 IBPYKAZHBQXOAJ-FPLPWBNLSA-N 225.248 -0.365 50 20 BBGD COC(=O)N[C@@H](C)C(=O)NNC(=O)C(C)(C)C 494013836 ILNLZRDRVOVGHM-LURJTMIESA-N 245.279 -0.076 50 20 BBGD O=C(c1cccc(B(O)O)c1)N1CC[C@@H]2C[C@H]2C1 585005999 PFVMWJIFYGEKAQ-KOLCDFICSA-N 245.087 -0.152 50 20 BBGD C[C@]1(NCc2ccc(B(O)O)o2)CCCOC1 585033745 JPCRLMFEQXWVRI-NSHDSACASA-N 239.080 -0.382 50 20 BBGD OB(O)c1cccc(CNC[C@@H](O)C2CCC2)c1 585044307 FCWPICNCAAYENY-CYBMUJFWSA-N 249.119 -0.383 50 20 BBGD CC[C@H](C)CS(=O)(=O)N1CC[C@@H](B(O)O)C1 585059072 YPWKYKBNOBOVAN-DTWKUNHWSA-N 249.141 -0.089 50 20 BBGD CCn1c(C)cc(C(=O)NCB(O)O)c1C 585060257 BMJUWRSJKSQZHP-UHFFFAOYSA-N 224.069 -0.133 50 20 BBGD CNC(=O)NNC(=O)C[C@H](C)COC 755231410 SUQUAONIKSDJFK-LURJTMIESA-N 203.242 -0.381 50 20 BBGD CCCNC(=O)NNC(=O)[C@@H]1NC(=O)O[C@H]1C 841384805 GBRNSSGAGLZSFT-NTSWFWBYSA-N 244.251 -0.776 50 20 BBGD CC(C)NC(=O)C(=O)NN=C1CO[C@@H](C)C1 842524750 GVMSCNIUCKGYSG-ZETCQYMHSA-N 227.264 -0.208 50 20 BBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1cocn1 843650404 BSIIIPIFEBEESB-RQJHMYQMSA-N 239.231 -0.139 50 20 BBGD CSCCNC(=O)NNC(=O)c1cn[nH]c1 858118119 ONUGHPHRULAEOW-UHFFFAOYSA-N 243.292 -0.283 50 20 BBGD CCC[C@@H](O)CC(=O)NN(C)C[C@@H](C)O 910160586 KYRGSLXXOOXASY-RKDXNWHRSA-N 218.297 -0.119 50 20 BBGD CCNC(=O)NNC(=O)c1nccn2ccnc12 1116173732 HLPUTNZZEBQRAK-UHFFFAOYSA-N 248.246 -0.307 50 20 BBGD CCNC(=O)NNC(=O)c1cncnc1 1321073104 JKJOLCUORRNIKW-UHFFFAOYSA-N 209.209 -0.560 50 20 BBGD COC(=O)C(=O)NN=C1C[C@H](C)O[C@H]1C 1325317568 CQGGZJTYRLAKCE-WDSKDSINSA-N 214.221 -0.171 50 20 BBGD C[C@H](NNC(=O)[C@H]1CCC(=O)N1)C(F)(F)F 1329058549 BIMNAQBQSIFIAZ-CRCLSJGQSA-N 239.197 -0.163 50 20 BBGD CN(C)C(=O)NNC(=O)C[C@@H]1CCCC(=O)N1 1330122032 AMIKVOLFMSEMRJ-ZETCQYMHSA-N 242.279 -0.652 50 20 BBGD C[C@@H](O)CN(C)NC(=O)[C@@H]1CCN(C)C(=O)C1 1332629356 MHFAKVJQBAIFMV-RKDXNWHRSA-N 243.307 -0.801 50 20 BBGD C/C(=C/C(=O)O)COc1ccc(B(O)O)cc1 1588952138 LNARLEOMOHLTCL-VURMDHGXSA-N 236.032 -0.224 50 20 BBGD Cc1nn(C)c(C=NNC(=O)C(=O)O)c1Cl 1607998721 SMEAWXZWQNCTDF-UHFFFAOYSA-N 244.638 -0.083 50 20 BBGD C[C@H](CC(=O)O)C(=O)NN(C)C(N)=O 1609732057 YLPBFIWBAJTHKG-SCSAIBSYSA-N 203.198 -0.861 50 20 BBGD COc1ccnc(NNC(=O)[C@@H](C)OC)n1 48699022 LBNPNFJQRCFMDU-ZCFIWIBFSA-N 226.236 -0.037 50 20 BBGD CN1CCO[C@H](C(=O)NNC(=O)C(C)(C)C)C1 81257676 VYOUGWHFSHKXQI-QMMMGPOBSA-N 243.307 -0.490 50 20 BBGD CN(C)CC(=O)NNC(=O)Nc1ccccn1 156245174 QCLOIFBOOOKTEA-UHFFFAOYSA-N 237.263 -0.204 50 20 BBGD N#Cc1ccc(NC(=O)NNC(=O)CO)cc1 182731736 VSYYVXJYCZADFH-UHFFFAOYSA-N 234.215 -0.297 50 20 BBGD CC(CS(C)(=O)=O)=NN(C)C(N)=O 379419692 YUFAZGPDCFBBIC-UHFFFAOYSA-N 207.255 -0.583 50 20 BBGD O=C(N[C@H]1CC12CC2)c1ccc(B(O)O)c(F)c1 585000848 ONWBOCJLWCOJGP-JTQLQIEISA-N 249.050 -0.212 50 20 BBGD O=C(NCB(O)O)c1cccc2cnccc12 585061751 ZQTMLNAZJULKPC-UHFFFAOYSA-N 230.032 -0.023 50 20 BBGD Cc1cc(NC(=O)NNC(=O)CO)no1 755353869 LFNGEMTVDGTMBS-UHFFFAOYSA-N 214.181 -0.872 50 20 BBGD CCNC(=O)CC(=O)NNC(=O)NCC1CC1 780908553 SSOHBKQXPVIUQF-UHFFFAOYSA-N 242.279 -0.747 50 20 BBGD CC(=O)NNC(=O)[C@@H]1O[C@@H](C)C[C@H]1C 800320482 BLZJFECOHASHST-GKROBHDKSA-N 200.238 -0.033 50 20 BBGD C[C@H](CO)N(C)NC(=O)CNC(=O)C(C)(C)C 823983395 SLYCPNXSARFKRV-MRVPVSSYSA-N 245.323 -0.508 50 20 BBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)[C@H]1C[C@@H](O)C1 824016541 NQWXTUDTQMSKLQ-HXFLIBJXSA-N 242.275 -0.670 50 20 BBGD CCNC(=O)N(C)NC(=O)CC(C)(C)N 831944658 FAEHBLWLWSSQLD-UHFFFAOYSA-N 216.285 -0.194 50 20 BBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1ncc[nH]1 855005131 CCFWJVJZDASWGH-RNFRBKRXSA-N 238.247 -0.404 50 20 BBGD CON(C)C(=O)[C@H](C)NS(=O)(=O)CCl 859403184 QOSIWYMZGPKQPZ-YFKPBYRVSA-N 244.700 -0.490 50 20 BBGD COCC(C)=NNC(=O)CS(C)(=O)=O 863189429 MHSAGPNMRGFZMG-UHFFFAOYSA-N 222.266 -0.831 50 20 BBGD COC[C@H](C)NC(=O)NN(C)C(=O)OC 864409093 PPROKTYUQJRPPJ-LURJTMIESA-N 219.241 -0.066 50 20 BBGD CC(C)(O)C(=O)NNC(=O)[C@@H]1[C@H]2CCC(=O)[C@H]21 907627521 RLOOKJOANKLUMJ-APQOSEDMSA-N 240.259 -0.870 50 20 BBGD CC[C@H](CO)C(=O)NN(C)C[C@@H](C)O 910139415 ABCNHNOHLQPOIZ-HTQZYQBOSA-N 204.270 -0.651 50 20 BBGD O=C(NNC(=O)c1cnccn1)c1cn[nH]c1 920438800 NDWOSZPJFFJYGM-UHFFFAOYSA-N 232.203 -0.726 50 20 BBGD Cn1nncc1NNC(=O)[C@@H]1C[C@H]2CC(=O)[C@@H]1C2 1183570242 DQWOHYKELKIRHO-XLPZGREQSA-N 249.274 -0.127 50 20 BBGD C=CCn1cc(C(=O)NNC(=O)NCC)nn1 1261498563 JCLHYNXORVTISD-UHFFFAOYSA-N 238.251 -0.572 50 20 BBGD CC(=NNC(=O)C(N)=O)c1scnc1C 1317874506 RLHVTGVTTXSFFH-UHFFFAOYSA-N 226.261 -0.223 50 20 BBGD O=C(CCl)N1CCN2C(=O)OC[C@@H]2C1 1319786063 WNYZYOSCJABMJT-LURJTMIESA-N 218.640 -0.112 50 20 BBGD CNC(=O)NCCC(=O)NNc1cccnn1 1330408482 LNFFGNODTJLFQQ-UHFFFAOYSA-N 238.251 -0.761 50 20 BBGD Cc1cc(=NNC(=O)CC(=O)O)cc[nH]1 1600283556 XIAYOWORDKZIQC-UHFFFAOYSA-N 209.205 -0.270 50 20 BBGD CC(C)[C@H](C(=O)O)C(=O)NNC(=O)C1CC1 1602970316 PRFSCSXDNSBAGM-ZETCQYMHSA-N 228.248 -0.099 50 20 BBGD O=C(O)CCC(=O)NNC(=O)[C@@H]1CCCCO1 1611416636 QMQMPSYJZXQGCC-ZETCQYMHSA-N 244.247 -0.432 50 20 BBGD O=C(NC1CC=CC1)c1cc(B(O)O)ccc1F 584962736 PSEADWDGMQIDOO-UHFFFAOYSA-N 249.050 -0.046 50 20 BBGD CC(C)[C@H](CCO)NCc1ccc(B(O)O)o1 585025666 ZVYLXRHQJBVXJY-JTQLQIEISA-N 241.096 -0.544 50 20 BBGD CCOCC(=O)NNC(=O)NCCOC(C)C 758718250 NETOELUAPOXZKJ-UHFFFAOYSA-N 247.295 -0.222 50 20 BBGD CC(C)(O)C(=O)NNC(=O)C[C@@](C)(O)C1CC1 768256652 VPHYMWJVIMEFFC-LLVKDONJSA-N 244.291 -0.544 50 20 BBGD C[C@H](NC(N)=O)C(=O)NNC(=O)C(C)(C)C 773784585 LNRMUEVAUGKBEQ-YFKPBYRVSA-N 230.268 -0.763 50 20 BBGD CC(C)C(=O)NNC(=O)C(=O)NCC1CC1 788493933 ZDJAFJKDOPZEHN-UHFFFAOYSA-N 227.264 -0.684 50 20 BBGD COC[C@H](OC)C(=O)NN=c1cc[nH]cc1 831867659 FBMFSKYGNDPWOQ-VIFPVBQESA-N 225.248 -0.392 50 20 BBGD CON1CCC(=NNC(=O)CN(C)C)CC1 834954936 YKTCFSFTVIMULZ-UHFFFAOYSA-N 228.296 -0.323 50 20 BBGD CNC(=S)N(C)NC(=O)c1cnn(C)c1C 854927190 XVBCCCAHHJFUAC-UHFFFAOYSA-N 241.320 -0.191 50 20 BBGD CC[C@H](NC(C)=O)C(=O)NNc1ncccn1 864768436 GUERHBCWXLQXAB-QMMMGPOBSA-N 237.263 -0.166 50 20 BBGD CCNC(=O)NNC(=O)[C@]1(OC)CCSC1 900385590 CQGJUXWCCXKRQX-VIFPVBQESA-N 247.320 -0.141 50 20 BBGD C[C@H](O)CN(C)NC(=O)c1cc(F)cnc1O 910139565 UBMHLDQFYGZMER-LURJTMIESA-N 243.238 -0.116 50 20 BBGD Cn1cc(C(=O)NNC(=O)c2ccnn2C)cn1 1321908604 BALFWHRTLNQGFR-UHFFFAOYSA-N 248.246 -0.772 50 20 BBGD CC(=O)NCC(C)(C)C(=O)NNc1nc[nH]n1 1326897554 NCZJOCWMSPYJRS-UHFFFAOYSA-N 240.267 -0.590 50 20 BBGD O=C(NN=c1cc[nH]cc1)c1cc2n(n1)CCO2 1327666687 UESAKDIUXFURFP-UHFFFAOYSA-N 245.242 -0.151 50 20 BBGD CNCCC(=O)NNC(=O)[C@H]1CCO[C@H]1C 1574078916 KMENODPLIGZYJN-YUMQZZPRSA-N 229.280 -0.832 50 20 BBGD C[C@H]1NCC[C@H]1C(=O)NNC(=O)c1cccnn1 1576886966 WANRNILKGPURKK-HTQZYQBOSA-N 249.274 -0.764 50 20 BBGD CC(=O)NNC(=O)CCNC(=O)c1ccco1 48449517 ZTJZFRLOEAMUNG-UHFFFAOYSA-N 239.231 -0.433 50 20 BBGD C[C@H](O)C(=O)NNC(=O)OC(C)(C)C 276143739 OTVHKTHNEUAMGE-YFKPBYRVSA-N 204.226 -0.077 50 20 BBGD O=C(CC1CC1)NNC(=O)CN1CCCC1=O 299211534 GAYKVDWVTZRRNT-UHFFFAOYSA-N 239.275 -0.444 50 20 BBGD C[C@H](O)CCOc1ccc(B(O)O)cc1 584910709 SBQZTAVGCSOWBF-QMMMGPOBSA-N 210.038 -0.484 50 20 BBGD C[C@@H]1O[C@H](C)[C@H](C(=O)NCB(O)O)[C@H]1C 585062637 LHTWGWYYJGTEKM-RULNZFCNSA-N 215.058 -0.826 50 20 BBGD COc1cccc([C@H](C)C(=O)NCB(O)O)c1 585062688 VUWIYYPSMHISKV-QMMMGPOBSA-N 237.064 -0.073 50 20 BBGD CN(CC(=O)NNc1cnccn1)C(=O)C1CC1 734244293 DHKNWJSXSGXPQO-UHFFFAOYSA-N 249.274 -0.212 50 20 BBGD C#CCCCCCC(=O)NNC(=O)CO 753444663 ACTKOHCRIFBGKQ-UHFFFAOYSA-N 212.249 -0.290 50 20 BBGD CCn1nccc1C=NNC(=O)C(=O)NC1CC1 753695319 OVBCUVQJQJXFNL-UHFFFAOYSA-N 249.274 -0.368 50 20 BBGD CC(=O)NNC(=O)c1cnc(O)c([N+](=O)[O-])c1 770090329 LMLVYSSFUHHVHV-UHFFFAOYSA-N 240.175 -0.524 50 20 BBGD CC(C)C(=O)NNC(=O)c1cnn(C)n1 785691196 QIUBRMZEWPNTFR-UHFFFAOYSA-N 211.225 -0.768 50 20 BBGD CC(C)C(=O)NNC(=O)c1cc2n(n1)CCO2 809982431 GEPJJDXZNCQVQN-UHFFFAOYSA-N 238.247 -0.308 50 20 BBGD CCN(CCO)NC(=O)C1CC(OC)C1 823898165 SZQITPCLOBNHRI-UHFFFAOYSA-N 216.281 -0.243 50 20 BBGD O=C(NNC(=O)C1CC=CC1)c1ncon1 832825858 JNFKOXVWYBYTMA-UHFFFAOYSA-N 222.204 -0.203 50 20 BBGD CC(C)CNC(=S)NNC(=O)NCC(=O)O 833489882 SDQDBLKNCACPLR-UHFFFAOYSA-N 248.308 -0.595 50 20 BBGD COCC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 843643113 LGMUVSBYHQNJRW-RNFRBKRXSA-N 216.237 -0.795 50 20 BBGD CC1=NO[C@@H](C(=O)NNC(=O)c2ccc[nH]2)C1 854278700 AHKYYKWTHLEKBE-MRVPVSSYSA-N 236.231 -0.060 50 20 BBGD CCO[C@H](C(=O)NNC(=O)NC)C1CC1 858748688 WAIYUWMGVBRGFQ-ZETCQYMHSA-N 215.253 -0.238 50 20 BBGD C[C@H]1CC(=NC(=O)c2ccc(B(O)O)cc2)NO1 863877527 GKDNKUJDAJYIDB-ZETCQYMHSA-N 248.047 -0.782 50 20 BBGD N#Cc1ccc(NNC(=O)[C@@H]2COCCO2)nc1 899663279 BSIXOQNYKKDNRB-VIFPVBQESA-N 248.242 -0.188 50 20 BBGD CO[C@@H](C(=O)NN(C)C[C@H](C)O)C1CC1 910150796 VUYIUMBHMBIQGJ-IONNQARKSA-N 216.281 -0.245 50 20 BBGD C[C@H](CO)N(C)NC(=O)CN(C)C1CCC1 911445350 SPHJUHGDEVJISA-SECBINFHSA-N 229.324 -0.186 50 20 BBGD O=C(NNC(=O)c1cn[nH]c1)c1cccnc1 916106975 MUMXIDQWHPVSPR-UHFFFAOYSA-N 231.215 -0.121 50 20 BBGD C[C@@H](NNC(=O)Cn1ncnn1)C(F)(F)F 1123839571 MUEPKAPXFIHHFI-SCSAIBSYSA-N 238.173 -0.755 50 20 BBGD CNC(=O)NNC(=O)[C@@H]1CCc2c[nH]nc2C1 1318794521 AQWCXZZCPRTFAP-ZCFIWIBFSA-N 237.263 -0.525 50 20 BBGD NNC(=O)[C@H]1C[C@]12C(=O)Nc1ccccc12 1340262730 QXSWMFPHCVITCY-RDDDGLTNSA-N 217.228 -0.114 50 20 BBGD COCCN(C)NC(=O)CCCC(=O)O 1599232509 UVSKJSYPWIVZGN-UHFFFAOYSA-N 218.253 -0.149 50 20 BBGD Cc1ccc(S(=O)(=O)NCB(O)O)cc1 195381958 MDPQDDOIJLZQNF-UHFFFAOYSA-N 229.066 -0.715 50 20 BBGD O=C(N1CC[C@@H](B(O)O)C1)C(F)(F)C(F)F 585070129 WIWXGCRPZJMIQD-SCSAIBSYSA-N 242.965 -0.038 50 20 BBGD CN(C)C(=O)NNC(=O)C1(C#N)CCC1 736073749 LHPOXJXILOELOE-UHFFFAOYSA-N 210.237 -0.017 50 20 BBGD O=C(NNC(=O)[C@@H]1C[C@]12CCOC2)C1CC1 763724195 XIVQJLHHSAUFKK-KWQFWETISA-N 224.260 -0.030 50 20 BBGD COC(=O)c1cc(C=NNC(N)=O)on1 814686465 IBERZWTTYQEBQH-UHFFFAOYSA-N 212.165 -0.537 50 20 BBGD Cn1ccc(C(=O)NNC(=O)CC2CC2)n1 819123230 UVOVNHUVPUPUQB-UHFFFAOYSA-N 222.248 -0.019 50 20 BBGD CCN(CCO)NC(=O)CSCC#N 823847339 VPESOTODMQHOIF-UHFFFAOYSA-N 217.294 -0.411 50 20 BBGD CCNC(=O)N(C)NC(=O)C1(C(=O)O)CCC1 852942322 HXYMJZNDFGSTRR-UHFFFAOYSA-N 243.263 -0.066 50 20 BBGD O=C(NNc1ncccc1F)[C@]1(O)CCOC1 857504467 ZDKFBJJOENKORH-JTQLQIEISA-N 241.222 -0.185 50 20 BBGD CCNC(=O)NNC(=O)c1ccc2nn[nH]c2c1 920858173 GOXLCRJHANPARP-UHFFFAOYSA-N 248.246 -0.078 50 20 BBGD C[C@H](OC1CCCCC1)C(=O)NNC(=O)CO 1116554492 UKMKNIGBQSQYJO-QMMMGPOBSA-N 244.291 -0.136 50 20 BBGD C[C@@H](O)CN(C)NC(=O)C[C@H]1CCOC1 1119644836 MNSKKNFEADJOLE-RKDXNWHRSA-N 216.281 -0.243 50 20 BBGD CCC[C@@H](NNC(=O)C(=O)OC)C(=O)OCC 1252517846 CAPVHAFMXARBSL-SSDOTTSWSA-N 246.263 -0.488 50 20 BBGD COc1cc(C(=O)NN)ccc1OCC(N)=O 1327089816 OIAHXJCAGNOKNC-UHFFFAOYSA-N 239.231 -0.837 50 20 BBGD C[C@@H](CC(=O)O)CC(=O)NNC(=O)CN(C)C 1592391878 SDRDXCFGGIAVPH-SSDOTTSWSA-N 245.279 -0.804 50 20 BBGD C[C@@H]1OCC(=NNC(=O)C(=O)O)[C@H]1C 1594638496 CJIJVQZFPLDMEP-WHFBIAKZSA-N 200.194 -0.402 50 20 BBGD Cn1nccc1C=NNC(=O)NCC(=O)O 1601038495 YNLPUEYZOLAVIM-UHFFFAOYSA-N 225.208 -0.862 50 20 BBGD O=C(O)COCC(=O)NNC(=O)C1CCC1 1602078320 XRCWAJVPMUCQHG-UHFFFAOYSA-N 230.220 -0.965 50 20 BBGD CCNC(=O)CCC(=O)NNC(=O)C1CCC1 732141612 KMUDUXHREVCOHT-UHFFFAOYSA-N 241.291 -0.150 50 20 BBGD CS[C@@H](C)C(=O)NNc1nccn(C)c1=O 747946147 USFPBMHYJQWRGJ-LURJTMIESA-N 242.304 -0.025 50 20 BBGD O=C(C[C@@H]1CCCC(=O)N1)NNc1cnccn1 809680718 XKDDGURIQNHMJC-QMMMGPOBSA-N 249.274 -0.022 50 20 BBGD C[C@@H]1CN(C)C(=O)CN1S(=O)(=O)CCl 831207326 RVSYQPOFPYQIQT-ZCFIWIBFSA-N 240.712 -0.325 50 20 BBGD CC(C)C#CC(=O)NNC(=O)c1ncon1 832826097 QXPCWQPAEMCSBP-UHFFFAOYSA-N 222.204 -0.510 50 20 BBGD CNC(=S)N(C)NC(=O)CN(C)C(=O)OC 854925228 ALKSVXBUEAACGM-UHFFFAOYSA-N 248.308 -0.848 50 20 BBGD O=C(OC[C@@H]1CCCO1)N1CC[C@@H](B(O)O)C1 864232101 LFNOKDSJRJYTKE-BDAKNGLRSA-N 243.068 -0.149 50 20 BBGD CC[C@@H](NC(C)=O)C(=O)NN(C)CCOC 868242586 RXEGKCQGUDCWSJ-SECBINFHSA-N 231.296 -0.490 50 20 BBGD COC(=O)CCc1nnn(C/C=C/C#N)n1 882213565 ANMJLQVUBGQSAA-NSCUHMNNSA-N 221.220 -0.142 50 20 BBGD O=C(O)C1CC(NCc2cccc(B(O)O)c2)C1 901796217 NMQBPWQTOSTMSS-UHFFFAOYSA-N 249.075 -0.681 50 20 BBGD CC(C)C(=O)NNC(=O)CCn1ccnn1 915052504 ZRJXUGYJHPFUKI-UHFFFAOYSA-N 225.252 -0.528 50 20 BBGD CCO[C@H](C)C(=O)NNc1nnc(C)c(O)n1 1318003198 OLDILFOHXDWDES-ZCFIWIBFSA-N 241.251 -0.246 50 20 BBGD CNC(=O)NNC(=O)c1cccc(O)c1O 1320433456 DFVCDGPXXQSPNH-UHFFFAOYSA-N 225.204 -0.328 50 20 BBGD N#Cc1nccnc1N1CC[C@@H](B(O)O)C1 1329293188 OZEHXANNTWBZMQ-SSDOTTSWSA-N 218.025 -0.599 50 20 BBGD CS/C=C/C(=O)NNC(=O)[C@@H]1CCC(=O)N1 1335329211 GCDMFVGUZPHMRF-OVCGOVNKSA-N 243.288 -0.711 50 20 BBGD CO[C@H](C)C(=O)NNC(=O)C1CCOCC1 1336935018 MVLKJAJKZGBEEG-SSDOTTSWSA-N 230.264 -0.405 50 20 BBGD C[C@@H]1O[C@H]1C(=O)NNC(=O)NCC(F)(F)F 2088609199 NNIDPENCJYWHBR-IUYQGCFVSA-N 241.169 -0.334 50 20 BBGD CCC(=O)NNC(=S)NCCOC 6849875 NZTRQCPONMIHBA-UHFFFAOYSA-N 205.283 -0.462 50 20 BBGD O=C(NNC(=O)C1CCCC1)C(=O)NC1CC1 8392171 MFLIJNUTVICOII-UHFFFAOYSA-N 239.275 -0.397 50 20 BBGD C[C@@H](Oc1ccccc1)C(=O)NCB(O)O 169879817 ANNBUKRWNUUGDH-MRVPVSSYSA-N 223.037 -0.418 50 20 BBGD CS[C@@H](C)CC(=O)NNC(=O)CO 182765889 JAPXKPPMMCYLBR-YFKPBYRVSA-N 206.267 -0.732 50 20 BBGD Cc1cc(C(=O)NNC(=O)C2(O)CCC2)[nH]n1 274758715 GITFVRQNGRXAHM-UHFFFAOYSA-N 238.247 -0.606 50 20 BBGD O=C(NCC1CCC1)c1cccc(B(O)O)c1 584927833 BIZRTIPYEPOHCM-UHFFFAOYSA-N 233.076 -0.104 50 20 BBGD C[C@H](CCO)CNCc1ccccc1B(O)O 585026651 JDZLDVBNBMJNJA-SNVBAGLBSA-N 237.108 -0.526 50 20 BBGD Cc1ncc(CNCc2ccc(B(O)O)cc2)o1 585045503 BPVRATAWHGEFAC-UHFFFAOYSA-N 246.075 -0.047 50 20 BBGD CC(=O)N[C@@H](C)C(=O)NNc1cc(C)ncn1 734253709 XLYWSMGNNFHVJO-ZETCQYMHSA-N 237.263 -0.247 50 20 BBGD CC(C)OCC(=O)NNC(=O)Cc1cc[nH]n1 755285522 FOGXOIVGYNRNLQ-UHFFFAOYSA-N 240.263 -0.475 50 20 BBGD C#CCOCCC(=O)NNC(=O)NCCC 755674660 QMXRUBZZHQPREG-UHFFFAOYSA-N 227.264 -0.233 50 20 BBGD O=C(CO)NNC(=O)Cc1n[nH]c2ccccc12 807196611 YYTCLLOGXOAVLI-UHFFFAOYSA-N 248.242 -0.755 50 20 BBGD CCNC(=O)NNC(=O)[C@@H](O)C1CC1 823798128 BCRYFBHSUUXKAF-LURJTMIESA-N 201.226 -0.892 50 20 BBGD CCN(CCO)NC(=O)[C@@H](C(C)C)N(C)C 823856403 QQAYLPIQNCRFCT-SNVBAGLBSA-N 231.340 -0.082 50 20 BBGD C=C(CN(C)C)C(=O)NN(C)[C@H](C)CO 823927576 AUKDXZSZWURUNW-SECBINFHSA-N 215.297 -0.552 50 20 BBGD O=C(CN1CCCC1)NNC(=O)c1cc[nH]n1 824401930 RKQHNSBFMJWVCW-UHFFFAOYSA-N 237.263 -0.734 50 20 BBGD CCC[C@H](OC)C(=O)NNC(=O)CN(C)C 825709556 XCIJZMNPCYSTJB-QMMMGPOBSA-N 231.296 -0.490 50 20 BBGD C[C@@H]1[C@H](C(=O)NNC(=O)NC2CC2)CCN1C 843775047 NZEVYFYTWAUCOJ-VXNVDRBHSA-N 240.307 -0.181 50 20 BBGD COCC1(CC(=O)NNC(=O)C(C)(C)O)CC1 843864905 NPTFQKPBNIYHKE-UHFFFAOYSA-N 244.291 -0.279 50 20 BBGD CNC(=S)N(C)NC(=O)c1ccnc(C)n1 854925719 KXUJJQXYMROCGQ-UHFFFAOYSA-N 239.304 -0.134 50 20 BBGD CC1(C(=O)NNC(=O)[C@H]2CCC(=O)N2)CCC1 862455902 KJKAJHXARQERLD-SSDOTTSWSA-N 239.275 -0.397 50 20 BBGD Cc1cc(=NNC(=O)C(C)(C)C(N)=O)cc[nH]1 862512500 XBDWLFASVHEOND-UHFFFAOYSA-N 236.275 -0.233 50 20 BBGD COC/C=C\C(=O)NNC(=O)NC1CC1 865014719 LRNSPXMTWQPXAW-IHWYPQMZSA-N 213.237 -0.318 50 20 BBGD COC(=O)N(C)NC(=O)NC1CCN(C)CC1 874998687 IDXFMMLSLHCWPH-UHFFFAOYSA-N 244.295 -0.007 50 20 BBGD O=C(O)[C@H]1C[C@@H](NCc2cccc(B(O)O)c2)C1 901615108 NMQBPWQTOSTMSS-JGZJWPJOSA-N 249.075 -0.681 50 20 BBGD C[C@@H](O)CN(C)NC(=O)c1cc(F)cnc1O 910139567 UBMHLDQFYGZMER-ZCFIWIBFSA-N 243.238 -0.116 50 20 BBGD C#CCOCCC(=O)NNC(=S)NC(C)C 1116378213 CBDSZVZQTMKGBN-UHFFFAOYSA-N 243.332 -0.070 50 20 BBGD C[C@H](C(=O)NNC(=O)C(C)(C)O)n1cccc1 1116802638 ZOCQDVLDSNLDGX-MRVPVSSYSA-N 239.275 -0.033 50 20 BBGD COCc1nc(C(=O)NN(C)C(=O)OC)no1 1118006600 LKFHGVIFGIOOLJ-UHFFFAOYSA-N 244.207 -0.441 50 20 BBGD Cn1ccnc(NNC(=O)C(F)F)c1=O 1323948862 RXNMAGVTGJKJTJ-UHFFFAOYSA-N 218.163 -0.512 50 20 BBGD CC(=NNC(=O)C(C)(C)O)c1ccc(O)nn1 1324493196 PIPDFRUXVBGPQW-UHFFFAOYSA-N 238.247 -0.207 50 20 BBGD Cn1cnc(C(=O)NNc2nc[nH]n2)c1 1324556230 ZEFVXJKDZLCENA-UHFFFAOYSA-N 207.197 -0.705 50 20 BBGD O=C(CC[C@H]1CCOC1)N1CC[C@H](B(O)O)C1 1331896749 RQONVKGOOJZLMU-UWVGGRQHSA-N 241.096 -0.122 50 20 BBGD COc1ccc(C(=O)NNc2ccn(C)n2)nn1 1339439362 XYDSGARBYIUNSR-UHFFFAOYSA-N 248.246 -0.024 50 20 BBGD Cc1cc(C(=O)NN(C)C(N)=O)oc1C(=O)O 1600095037 AKOCICMLBFIPKB-UHFFFAOYSA-N 241.203 -0.058 50 20 BBGD CCc1nnc2n1C[C@H](C(=O)NN)CC2 39947100 YVKIVCXVOQIILC-ZCFIWIBFSA-N 209.253 -0.607 50 20 BBGD CCCCNC(=O)NNC(=O)Cn1cncn1 49143635 NVYDQFPYHXMSCH-UHFFFAOYSA-N 240.267 -0.591 50 20 BBGD CN1C[C@@H](C(=O)NNC(=O)C(C)(C)C)CC1=O 130853123 MLMSYNPPMDTMMF-ZETCQYMHSA-N 241.291 -0.342 50 20 BBGD C=CCNC(=S)NNC(=O)COCCOC 280878978 CJIBIWZPBQBUFE-UHFFFAOYSA-N 247.320 -0.669 50 20 BBGD COCCOCC(=O)NN(C)C(=O)OC 286448689 SFTDWKBHGJMGPU-UHFFFAOYSA-N 220.225 -0.621 50 20 BBGD COC(=O)NNC(=O)Nc1ncncc1OC 294087032 ASZKZZRTKMBBOY-UHFFFAOYSA-N 241.207 -0.122 50 20 BBGD NNC(=O)CS(=O)(=O)C1CCCC1 306329199 OFQABTFNKJNUSX-UHFFFAOYSA-N 206.267 -0.666 50 20 BBGD CN1CCC[C@H](NC(=O)CCl)C1=O 307512577 MRUQSUVRCAVPEA-LURJTMIESA-N 204.657 -0.038 50 20 BBGD OB(O)[C@@H]1CCN(c2ncnc3[nH]cnc23)C1 585072676 DBWCMYZWWXUVJD-ZCFIWIBFSA-N 233.040 -0.594 50 20 BBGD O=C(NNC(=O)[C@@H]1CCCOC1)C1CC1 727722761 OJABVGFMALGXJY-MRVPVSSYSA-N 212.249 -0.030 50 20 BBGD O=C(O)[C@H]1C[C@@H]1C(=O)NNc1cnccn1 739545721 BMBKYFXPDGLOBU-WDSKDSINSA-N 222.204 -0.360 50 20 BBGD CC(C)C(=O)NNC(=O)C1(C(N)=O)CCC1 747905420 BBXIYMRLQMMBBZ-UHFFFAOYSA-N 227.264 -0.555 50 20 BBGD C[C@@H]1CC/C(=C\C(=O)NNC(=O)CO)C1 753445045 DQELOQGODDDNJA-KBUNYLKBSA-N 212.249 -0.128 50 20 BBGD CC(C)(C)C(=O)NNC(=O)[C@H]1CCNC(=O)C1 760381243 FMZMKIOLUVKVBN-ZETCQYMHSA-N 241.291 -0.294 50 20 BBGD CC(C)(C(N)=O)C(=O)NNC(=O)C1CCCC1 767579797 OMEYMJFCJKCTLK-UHFFFAOYSA-N 241.291 -0.165 50 20 BBGD Cc1cccc2c1NC(=O)C2=NNC(=O)CO 776779295 FSTZUZXEIJZDPM-UHFFFAOYSA-N 233.227 -0.240 50 20 BBGD CNC(=O)NNC(=O)COC(C)(C)C 778248459 SXQZIIXRDUIHQA-UHFFFAOYSA-N 203.242 -0.238 50 20 BBGD O=C(NNC(=O)[C@H]1CCCOC1)c1cn[nH]c1 818550188 QHLZWMIXZLMKMT-ZETCQYMHSA-N 238.247 -0.403 50 20 BBGD COCCC(=O)NNC(=O)CC1CC1 819104122 HWBKWZQLYJWKMX-UHFFFAOYSA-N 200.238 -0.030 50 20 BBGD COC(=O)C[C@H](C)CC(=O)NN(C)[C@@H](C)CO 823924225 YQQOAOKCHDCZLF-BDAKNGLRSA-N 246.307 -0.081 50 20 BBGD CCn1ccnc1C(=O)NN(C)[C@@H](C)CO 823927575 ATKLAAKVYOCUIG-QMMMGPOBSA-N 226.280 -0.140 50 20 BBGD C[C@@H](CO)N(C)NC(=O)CCN1CCOCC1 823966069 YSQQEUNUZXSMEQ-JTQLQIEISA-N 245.323 -0.948 50 20 BBGD C[C@@H](NC(=S)NNC(=O)CO)C1CC1 855099412 YKCGHULCUHISCR-RXMQYKEDSA-N 217.294 -0.728 50 20 BBGD CO[C@@]1(C=NNC(=O)c2cn[nH]c2)CCOC1 863153929 HYLNSBYDZNEUKP-SNVBAGLBSA-N 238.247 -0.069 50 20 BBGD COCCOCC(=O)NN=C1C[C@@H](C)N(C)C1 872401702 FVZBBGIOULCOBK-SECBINFHSA-N 243.307 -0.154 50 20 BBGD CC(C)(CO)CNCc1cccc(B(O)O)c1 877116996 FSCXMOWRDRZDLX-UHFFFAOYSA-N 237.108 -0.526 50 20 BBGD CN1CCC[C@H]1C(=O)NNC(=O)c1cccnn1 882058090 FUOMBKGUFFPLIB-VIFPVBQESA-N 249.274 -0.668 50 20 BBGD C[C@@H](O)CN(C)NC(=O)c1ccncn1 910159818 LCDKFKHCRLHTNX-SSDOTTSWSA-N 210.237 -0.566 50 20 BBGD CC(C)N(C)CC(=O)NN(C)C[C@@H](C)O 910167581 IJIRPXJNMSYBEX-SECBINFHSA-N 217.313 -0.330 50 20 BBGD CN(NC(=O)c1cnnc(O)c1)C1CC1 1261745746 QCNFVPLXXQDGLC-UHFFFAOYSA-N 208.221 -0.079 50 20 BBGD CC(=NNC(=O)C(N)=O)c1cc(C)on1 1321023314 WUWOYOIMQDIPRS-UHFFFAOYSA-N 210.193 -0.691 50 20 BBGD CSSCCN1C(=O)N[C@H](CO)C1=O 1335252278 NXGWQIACCFVGHE-RXMQYKEDSA-N 236.318 -0.090 50 20 BBGD COC(=O)NNC(=O)C1CCOCC1 1337205444 UYSQKXFQKKQOPF-UHFFFAOYSA-N 202.210 -0.200 50 20 BBGD N#CSCCCNC(=O)[C@H](N)CO 1574087579 LCASPKHUMWKKQF-ZCFIWIBFSA-N 203.267 -0.973 50 20 BBGD C=CC[C@@H](NNC(=O)[C@@H]1COCCO1)C(=O)O 1588750763 ZVEWIPVIWIAYOI-SFYZADRCSA-N 244.247 -0.948 50 20 BBGD C[C@H]1CC(=NNC(=O)C(=O)O)CCO1 1604646018 NMIDJODIWKKLNJ-YFKPBYRVSA-N 200.194 -0.258 50 20 BBGD O=C(CO)NNC(=O)c1ccccc1F 11638903 FKHNHYIXGJQXLM-UHFFFAOYSA-N 212.180 -0.421 50 20 BBGD COC[C@@H](C)NC(=S)NNC(=O)C1CC1 16184940 FJEUJNUGPSAYAX-ZCFIWIBFSA-N 231.321 -0.073 50 20 BBGD CN1N=C(C(=O)NNc2ncccn2)CCC1=O 45075471 DJNKLFFDAUPTRJ-UHFFFAOYSA-N 248.246 -0.472 50 20 BBGD COc1nccnc1NNC(=O)[C@H](C)OC 131798560 YHQBUOSPMFNCMY-LURJTMIESA-N 226.236 -0.037 50 20 BBGD CCn1nccc1C(=O)NNC(=O)CN(C)C 163100937 MEMQUAVBXSOJHI-UHFFFAOYSA-N 239.279 -0.774 50 20 BBGD O=C(NNc1cccnn1)N[C@H]1CCOC1 178770414 XXNCVUWZCCVESR-ZETCQYMHSA-N 223.236 -0.108 50 20 BBGD CNC(=O)NNC(=O)[C@@H]1CCSC1 307248656 AVHVMMAIYRJQIG-RXMQYKEDSA-N 203.267 -0.300 50 20 BBGD COC(=O)N(C)NC(=O)c1nccnc1N 309263062 IOQNKDPGIJJIRV-UHFFFAOYSA-N 225.208 -0.598 50 20 BBGD C[C@H]1OCC[C@H]1C(=O)Nc1cccc(B(O)O)c1 405004196 PZBCPLAXLGMSLG-LDYMZIIASA-N 249.075 -0.270 50 20 BBGD COC(=O)NCCC(=O)NNC(=O)OC 495367835 UJUUMCYTXBZZEI-UHFFFAOYSA-N 219.197 -0.880 50 20 BBGD C[C@H](CCN(C)C)NCc1ccc(B(O)O)o1 585021669 YMMDTMGJBNOIQG-SECBINFHSA-N 240.112 -0.611 50 20 BBGD CC(C)c1cc(C(=O)NCB(O)O)n[nH]1 585061456 XXGUWRDCZIRDLC-UHFFFAOYSA-N 211.030 -0.725 50 20 BBGD COCCC[C@H](C)C(=O)NNC(=O)CO 753440216 RWSXMXFEIAMXSJ-ZETCQYMHSA-N 218.253 -0.811 50 20 BBGD CCCNC(=O)NNC(=O)[C@@](C)(O)COC 754985356 CWMGBOSUAUCICM-VIFPVBQESA-N 233.268 -0.876 50 20 BBGD COC(=O)NNC(=O)[C@H]1C[C@H]2CC[C@H]1O2 765853757 QUUGFZZBXLQCNE-DSYKOEDSSA-N 214.221 -0.059 50 20 BBGD COC1CCC(C(=O)NNC(=O)CO)CC1 781969473 PJJMHGMUZZMBKY-UHFFFAOYSA-N 230.264 -0.669 50 20 BBGD C[C@H](C(=O)NNc1cccnn1)N(C)C 821857732 URJTZEKPRUIUDU-SSDOTTSWSA-N 209.253 -0.130 50 20 BBGD CCO/C=C(\C#N)C(=O)NN(CC)CCO 823869730 OTDFOOTWOYSYKS-CMDGGOBGSA-N 227.264 -0.224 50 20 BBGD Cn1cc(/C=C(\C#N)C(=O)N2CC[C@H]2CO)cn1 889154807 QSFIDQUVCWNQAO-INJWIWPUSA-N 246.270 -0.080 50 20 BBGD C[C@@H](O)CN(C)NC(=O)COCC(F)(F)F 910152009 LODPMBAYJLZOSY-ZCFIWIBFSA-N 244.213 -0.091 50 20 BBGD CC[C@H](NC(C)=O)C(=O)NN(C)C[C@@H](C)O 910181457 DPFQWJNORXRHJA-APPZFPTMSA-N 231.296 -0.755 50 20 BBGD CCn1cc(C(=O)NNC(=O)C2CCC2)nn1 932517458 XDNBPLFHEYRYGK-UHFFFAOYSA-N 237.263 -0.141 50 20 BBGD Cn1cc(C(=O)NN=c2cc[nH]cc2)nn1 1117594266 DCIDSUWWTRNQAG-UHFFFAOYSA-N 218.220 -0.611 50 20 BBGD CC(=O)NNC(=O)CC[C@H]1CCOC1 1117738194 ATWNAUWYERDWDM-QMMMGPOBSA-N 200.238 -0.030 50 20 BBGD C[C@@H](CO)N(C)NC(=O)C1=CCOCC1 1261911081 RYTWOZPADXVCDC-QMMMGPOBSA-N 214.265 -0.323 50 20 BBGD COC(=O)C(=O)NNC(=S)NC1(C)CC1 1321670167 RXUGWKHIHXHKTR-UHFFFAOYSA-N 231.277 -0.793 50 20 BBGD N#CCCCC(=O)NNc1ccc(C(N)=O)nn1 1326009809 HJWKXSGXQKVVDJ-UHFFFAOYSA-N 248.246 -0.288 50 20 BBGD C[C@H](CO)N(C)NC(=O)[C@H]1CCN(C)C(=O)C1 1329862823 RYJSHKAXVFPVAS-BDAKNGLRSA-N 243.307 -0.801 50 20 BBGD CC[C@](C)(N)C(=O)NNC(=O)C(C)(C)O 1574073698 HQJNTDZPHWUAET-VIFPVBQESA-N 217.269 -0.968 50 20 BBGD NCCCC(=O)NNC(=O)CCC1(O)CCC1 1580289427 RCMWTUFTCHMJMY-UHFFFAOYSA-N 243.307 -0.432 50 20 BBGD COC(=O)N(C)NC(=O)CSCC(=O)O 1593856066 VXJYGMUXNUSRMK-UHFFFAOYSA-N 236.249 -0.466 50 20 BBGD CC[C@H](SC)C(=O)NNC(=O)CN(C)C 153450858 BDCJHASYKBAXKB-ZETCQYMHSA-N 233.337 -0.163 50 20 BBGD O=S(=O)(CCl)N1CC[C@H](CO)C1 156851776 RRVPSNGDAPNQRL-LURJTMIESA-N 213.686 -0.173 50 20 BBGD Cn1cnc(C(=O)NNC(=O)c2cccn2C)c1 179355725 BLHZTTUFLXTMGO-UHFFFAOYSA-N 247.258 -0.167 50 20 BBGD COCCN(C)NC(=O)[C@H](C)NC(=O)OC 495678925 DWKDUFNTTCSMJL-ZETCQYMHSA-N 233.268 -0.660 50 20 BBGD OB(O)c1ccccc1CNC[C@H]1CC[C@H](O)C1 585037759 JCNKAYXMHJSSTQ-JQWIXIFHSA-N 249.119 -0.383 50 20 BBGD C=CCC[C@@H](CO)NCc1ccc(B(O)O)o1 585044171 ACUZMWYVEIIOAO-VIFPVBQESA-N 239.080 -0.624 50 20 BBGD COc1ccsc1C(=O)NCB(O)O 585059945 GVHNNERNZUCNCB-UHFFFAOYSA-N 215.039 -0.502 50 20 BBGD O=S(=O)(CBr)NCC#CCO 717536126 WBHGRVLSJKVOEL-UHFFFAOYSA-N 242.094 -0.746 50 20 BBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@H]1CCCO1 770650105 KJLXICHTGAPEPD-DJLDLDEBSA-N 242.275 -0.262 50 20 BBGD CN1CC[C@@H](C(=O)NNc2ncccn2)C1=O 772063585 GDAQILZQJVQIRB-ZETCQYMHSA-N 235.247 -0.602 50 20 BBGD CN1CCN(C(=O)NN=Cc2cc[nH]n2)CC1 790182469 VTPDWFYCPUPLNU-UHFFFAOYSA-N 236.279 -0.299 50 20 BBGD O=C(Cn1cnnn1)NNc1ncccc1F 804217466 ACIKMWAZUHRJFT-UHFFFAOYSA-N 237.198 -0.650 50 20 BBGD CN(NC(=O)[C@@H]1CCc2cncn2C1)C(N)=O 816958465 SXARMFKMRNEBPZ-SSDOTTSWSA-N 237.263 -0.513 50 20 BBGD CC(=O)OC(C)(C)C(=O)NN(C)[C@H](C)CO 823935615 UKAUSNWDIUHLKU-SSDOTTSWSA-N 232.280 -0.328 50 20 BBGD COCCN(C)NC(=O)[C@@H](O)C(C)C 837628400 WPOGCJAJVJYRAR-QMMMGPOBSA-N 204.270 -0.387 50 20 BBGD CCNCC(=O)NN(C)C(=O)NCC 843492247 CJDOGHWDSGOZJI-UHFFFAOYSA-N 202.258 -0.712 50 20 BBGD Cc1ncc(C=NNC(=O)CN(C)C)n1C 853301759 OVINEPSGBQDIBM-UHFFFAOYSA-N 223.280 -0.260 50 20 BBGD Cc1ccc(NNC(=O)N[C@@H]2CCNC2)nn1 861706947 JWAOJWNROUBPPB-MRVPVSSYSA-N 236.279 -0.227 50 20 BBGD CC[C@@H](OC)C(=O)NNC(=O)C1CCOCC1 883062251 VUHZLYNIKJCQJE-SECBINFHSA-N 244.291 -0.015 50 20 BBGD Cc1nocc1C(=O)N1CC[C@H](B(O)O)C1 1329292328 IIZZKKNLIBWEHI-ZETCQYMHSA-N 224.025 -0.328 50 20 BBGD CC(=O)C1(NC(=O)c2ccc(B(O)O)cc2)CC1 1332146960 BFARLDAWCWWGKK-UHFFFAOYSA-N 247.059 -0.782 50 20 BBGD C[C@H](O)CN(C)NC(=O)CCCCO 1334201143 FZYGZSHXCOIDJT-QMMMGPOBSA-N 204.270 -0.507 50 20 BBGD Cc1n[nH]cc1C(=O)NNC(=O)[C@H]1C[C@@H]1F 1346416497 TYJHONGWHCOWDF-FSPLSTOPSA-N 226.211 -0.163 50 20 BBGD C[C@@H](C(=O)NNc1cccnn1)[C@H]1CCC(=O)N1 1351520746 FTZLBCFIRWCHFY-HTQZYQBOSA-N 249.274 -0.166 50 20 BBGD C[C@@](O)(C(=O)NNC(=O)[C@H]1CCN1)C1CCC1 1576252897 UXLWHUMXRVDBKO-KCJUWKMLSA-N 241.291 -0.953 50 20 BBGD CC(=O)NNC(=O)[C@H](C(=O)O)C(C)(C)C 1588514630 OVQQSNILYZYEAY-ZCFIWIBFSA-N 216.237 -0.099 50 20 BBGD CC(=O)NNC(=O)CNC(=O)c1ccccc1 48089294 XCOCTEDUDMZXBT-UHFFFAOYSA-N 235.243 -0.416 50 20 BBGD O=C(Cn1cnnn1)NNc1ccccc1 255935590 QLTJIRGKMRZTBG-UHFFFAOYSA-N 218.220 -0.184 50 20 BBGD CCOCCCNCc1ccccc1B(O)O 585015313 WNYXKZZQGIBSPO-UHFFFAOYSA-N 237.108 -0.117 50 20 BBGD COC1(C(=O)NN(C)C(N)=O)CCCC1 754283447 UNTAHSDFQDPPBH-UHFFFAOYSA-N 215.253 -0.013 50 20 BBGD C#CCOCCC(=O)NNC(=O)NC(C)C 755734036 UFZOCMCIJODGBG-UHFFFAOYSA-N 227.264 -0.235 50 20 BBGD CNC(=O)NNC(=O)[C@@H]1O[C@@H](C)C[C@H]1C 800328513 PKPISZODSYNJEX-DSYKOEDSSA-N 215.253 -0.240 50 20 BBGD CCNC(=O)N(C)NC(=O)[C@]1(C)CCNC1 831945756 VNFBXUNUTSUODL-SNVBAGLBSA-N 228.296 -0.322 50 20 BBGD O=C(NNC(=O)c1ccncc1)C1=COCCO1 865924448 OWMAQDGADBZMOZ-UHFFFAOYSA-N 249.226 -0.269 50 20 BBGD C[C@H](O)CN(C)NC(=O)c1ccc2nncn2c1 910168591 OYAPCGGZKUPGIY-QMMMGPOBSA-N 249.274 -0.313 50 20 BBGD CC(C)C(=O)NNC(=O)[C@@H]1CC(=O)N(C)C1 914881772 UTQOMRMOBQUYAA-SSDOTTSWSA-N 227.264 -0.732 50 20 BBGD NC(=O)C(=O)NN=C1COc2ccc(F)cc21 918153763 MMAIYUMJCWDKKF-UHFFFAOYSA-N 237.190 -0.476 50 20 BBGD CC(=O)NNC(=O)COCc1cc(C)on1 1120570287 RWUZXXZYBZFSRM-UHFFFAOYSA-N 227.220 -0.333 50 20 BBGD O=C1C[C@@H](C(=O)NNC(=O)C2CCC2)CCN1 1319677006 IOPWHKKQLLTERB-QMMMGPOBSA-N 239.275 -0.540 50 20 BBGD COC(=O)NNC(=O)c1cc(C)nn1C 1321186577 VIYMBXXRLFZDDL-UHFFFAOYSA-N 212.209 -0.271 50 20 BBGD CN(NC(=O)c1ccncc1F)C(N)=O 1325005554 GZSQJBBVKIVPKJ-UHFFFAOYSA-N 212.184 -0.124 50 20 BBGD Cn1cncc1C=NNC(=O)[C@@H]1CCC(=O)N1 1329111076 PHWHBRGKIVILQM-QMMMGPOBSA-N 235.247 -0.851 50 20 BBGD Cc1ncc(C(=O)NNc2cnnn2C)[nH]1 1343973461 FKNCMNRKFSSNSM-UHFFFAOYSA-N 221.224 -0.396 50 20 BBGD NC(=O)C(=O)NN=CC1CCSCC1 1350455062 NLKURJPBQWABFU-UHFFFAOYSA-N 215.278 -0.283 50 20 BBGD C[C@H](CO)N(C)NC(=O)CSCC(=O)O 1589073372 LUYOTAJPFHKAHE-ZCFIWIBFSA-N 236.293 -0.852 50 20 BBGD O=C(NNC(=O)C(=O)O)N[C@@H]1CC[C@@H]2C[C@@H]2C1 1601553036 RNXRAMRPPHHQGJ-FSDSQADBSA-N 241.247 -0.410 50 20 BBGD COC(=O)NNC(=O)c1cc(C(=O)O)no1 1610190686 OIRQTSCHCQOHAJ-UHFFFAOYSA-N 229.148 -0.626 50 20 BBGD O=C(CCl)N[C@H]1CCCS(=O)(=O)C1 68941333 PJTQBJXHUPONDR-LURJTMIESA-N 225.697 -0.081 50 20 BBGD O=C(CO)NNC(=O)CCc1ccsc1 180945885 QSUDJASAMLWWBT-UHFFFAOYSA-N 228.273 -0.180 50 20 BBGD CCOC(=O)NNC(=O)Cc1ccn(C)n1 182960994 ZKGHHCMELXWRGC-UHFFFAOYSA-N 226.236 -0.260 50 20 BBGD O=C(NNC(=O)c1ccc[nH]1)c1c[nH]nn1 193718924 UEUYOVAFEUJHCK-UHFFFAOYSA-N 220.192 -0.792 50 20 BBGD C/C=C(/CC)C(=O)NNC(=O)C(=O)NC1CC1 276454682 MWQMDOCGJMGWKG-CLTKARDFSA-N 239.275 -0.231 50 20 BBGD O=S(=O)(CBr)N[C@@H]1CC[C@H]1O 306274008 JSDYMEGZSOQTLR-RFZPGFLSSA-N 244.110 -0.219 50 20 BBGD CCO/C=C(/C#N)C(=O)NCCCOCCO 490838216 AESHVVCUFYFUPT-KTKRTIGZSA-N 242.275 -0.054 50 20 BBGD CCO/C=C(\C#N)C(=O)N[C@@H]1CNC(=O)C1 490844616 QZZHDYSESJHCMV-CZEYKFRCSA-N 223.232 -0.565 50 20 BBGD COC(=O)NNC(=O)[C@@]1(F)CCOC1 495835017 FAIJHARWFIZXTP-SSDOTTSWSA-N 206.173 -0.498 50 20 BBGD CO[C@H](C)CNCc1ccc(B(O)O)cc1F 585036403 GPTLQZFIBAEALK-MRVPVSSYSA-N 241.071 -0.370 50 20 BBGD O=C(NN=C1CCOC1)N1CCOCC1 731926430 BWEZOFDVZBKRIW-UHFFFAOYSA-N 213.237 -0.196 50 20 BBGD CN(C)C(=O)CNC(=O)NNc1cccnn1 736372220 DXZCMRSXWGZMKP-UHFFFAOYSA-N 238.251 -0.809 50 20 BBGD O=C(O)NNS(=O)(=O)C[C@@H]1CCCCO1 738662017 PJJYMGDOBZGGRP-LURJTMIESA-N 238.265 -0.343 50 20 BBGD C[C@H]1C[C@@H](C(=O)NNC(=O)CN(C)C)CCO1 776475713 WNWNAERUBXOPCL-IUCAKERBSA-N 243.307 -0.490 50 20 BBGD CC(C)C(=O)NNC(=O)c1ccncn1 778291223 ABNSAWOROLYKRY-UHFFFAOYSA-N 208.221 -0.106 50 20 BBGD CN(C)C(=O)NNS(=O)(=O)c1ccco1 783528922 RYQVRSQLFDNWBN-UHFFFAOYSA-N 233.249 -0.256 50 20 BBGD C[C@H]1COC(=O)C1=NNC(=O)c1cnn(C)c1 794908699 MNUSGYONZXUHJZ-LURJTMIESA-N 236.231 -0.301 50 20 BBGD CCNC(=O)CCCC(=O)NN(C)[C@H](C)CO 823959617 MPGRACHWCWZENP-SECBINFHSA-N 245.323 -0.363 50 20 BBGD CC(C)[C@H](C(=O)NN(C)[C@@H](C)CO)N(C)C 823959711 OGHZKBZCUNATJG-VHSXEESVSA-N 231.340 -0.084 50 20 BBGD CCCN(C)CC(=O)NN(C)[C@@H](C)CO 823959768 PDKRKZREFIOXTN-VIFPVBQESA-N 217.313 -0.328 50 20 BBGD CCNC(=O)N(C)NC(=O)C(C)(C)C(=O)O 843329192 ZOYSVAILRHCBIH-UHFFFAOYSA-N 231.252 -0.210 50 20 BBGD CCC(CC)(CO)C(=O)NNC(C)=O 847283512 SFSJZAAPRUBDMD-UHFFFAOYSA-N 202.254 -0.048 50 20 BBGD C=C[C@H](O)C(=O)NN(C)C(=S)NC 854920261 ALXXMMSFRRXRAF-YFKPBYRVSA-N 203.267 -0.999 50 20 BBGD C=C[C@@](C)(O)C(=O)NNc1nccnc1OC 854954606 YZRNUQLCQRKKBV-SNVBAGLBSA-N 238.247 -0.135 50 20 BBGD C=C[C@@H](O)C(=O)NNC(=S)N[C@@H](C)C1CC1 855097181 KVXYBKOOFNBNTQ-POYBYMJQSA-N 243.332 -0.173 50 20 BBGD CCOC(=O)NNC(=O)C(OC)OC 873742182 RYKZSDGDKTZPCL-UHFFFAOYSA-N 206.198 -0.617 50 20 BBGD CC[C@@H](NC(=O)NNC(=O)CO)C(F)F 881015186 VNSASDRVBUSSIL-SCSAIBSYSA-N 225.195 -0.647 50 20 BBGD CCNC(=O)NNC(=O)[C@@H]1CCCC(=O)N1C 906418515 XLTRVGUMXQYMRQ-ZETCQYMHSA-N 242.279 -0.652 50 20 BBGD CCCNC(=O)NNC(=O)[C@H]1CCOC1 921208348 ULRITYHOCDHPAZ-ZETCQYMHSA-N 215.253 -0.237 50 20 BBGD COC(=O)N(C)NC(=O)NCC[S@@](C)=O 1119150511 AEWJCVRXGGNVJP-OAHLLOKOSA-N 237.281 -0.723 50 20 BBGD NC(=O)[C@@H]1CC[C@@H](CNC(=O)CCl)O1 1253967860 DAHSWRXFNNEEHM-WDSKDSINSA-N 220.656 -0.626 50 20 BBGD Cc1nccc(C(=O)NNc2cnnn2C)n1 1325023621 ULALLHMTPMWFSN-UHFFFAOYSA-N 233.235 -0.330 50 20 BBGD NC(=O)NNC(=S)NCCc1cccnc1 1325969065 VWNYKYTYRGNOGP-UHFFFAOYSA-N 239.304 -0.329 50 20 BBGD C[C@@]1(C(=O)NNC(=O)CC2CC2)C[C@@H](O)CN1 1573600443 DWZPQVKUFRKLNU-KCJUWKMLSA-N 241.291 -0.953 50 20 BBGD CC(C)C(=O)NNC(=O)[C@]12C[C@H]1CCCN2 1575398625 PNGZLSHKVNDFBS-KCJUWKMLSA-N 225.292 -0.068 50 20 BBGD C[C@@H]1C[C@@]1(C(=O)O)C(=O)NNC(=O)C(C)(C)O 1594228205 PILHJNHAGNCICY-FWOIEVBISA-N 244.247 -0.985 50 20 BBGD O=C(NN=c1cc[nH]cc1F)[C@H]1C[C@H]1C(=O)O 1608484659 ZLPDSSCNRDMFTN-NTSWFWBYSA-N 239.206 -0.194 50 20 BBGD CC(=O)NCC(=O)NNC(=O)c1ccccc1C 298297706 ISQZUBAFIOYUNI-UHFFFAOYSA-N 249.270 -0.108 50 20 BBGD O=C(CN1CCCCC1=O)NNC(=O)C1CC1 298522367 RRHVKHBDGSFGHM-UHFFFAOYSA-N 239.275 -0.444 50 20 BBGD CCN1CCO[C@H](C(=O)NNC(=O)N(C)C)C1 365769276 NVNVJGYCGKWHPE-QMMMGPOBSA-N 244.295 -0.991 50 20 BBGD C#CCNC(=O)NN[C@]1(C)CCS(=O)(=O)C1 490555967 OTAHZBLVDFKPMY-SECBINFHSA-N 245.304 -0.999 50 20 BBGD CCO/C=C\C(=O)NNC(=O)N(C)C 493353071 NFYZPBKFOKPKKQ-WAYWQWQTSA-N 201.226 -0.161 50 20 BBGD C[C@H]1C[C@@]1(C#N)C(=O)Nc1cccc(B(O)O)c1 584911844 NPMXCONVGQJAIN-UFBFGSQYSA-N 244.059 -0.145 50 20 BBGD OB(O)c1ccc(CNC[C@@H]2CCCO2)o1 585014432 RDSSDKLBAHOFKM-QMMMGPOBSA-N 225.053 -0.772 50 20 BBGD C[C@H](CO)CNCc1ccc(B(O)O)cc1 585018977 YLLWNPAPSGUOCS-VIFPVBQESA-N 223.081 -0.916 50 20 BBGD Cc1ccc(F)cc1S(=O)(=O)NCB(O)O 585054035 GKCVWQAGNMMUBO-UHFFFAOYSA-N 247.056 -0.576 50 20 BBGD C#CCNC(=S)NNC(=O)NCCC 758215153 DQHRWSWVONNMEM-UHFFFAOYSA-N 214.294 -0.292 50 20 BBGD CCNC(=O)NNC(=O)c1cnn2ncccc12 765249822 ACHCHBOIAMJKDM-UHFFFAOYSA-N 248.246 -0.307 50 20 BBGD CCN1CCOC[C@@H]1C(=O)NN(C)[C@H](C)CO 823939015 DVZJUAXNHFIVJE-NXEZZACHSA-N 245.323 -0.949 50 20 BBGD CC[C@@H](C(=O)NN(C)[C@@H](C)CO)N(C)C 823945945 ATSLPXSQDRPRPF-IUCAKERBSA-N 217.313 -0.330 50 20 BBGD C[C@H]1OCC[C@H]1C(=O)NN=Cc1cnn(C)n1 842560085 KSJYMMBUAAWCQB-VXNVDRBHSA-N 237.263 -0.310 50 20 BBGD CO[C@H](CS(=O)(=O)NNC(C)=O)C(C)C 842574478 XKUISKRHJHVEBF-MRVPVSSYSA-N 238.309 -0.372 50 20 BBGD CC(C)NC(=O)N1CCC[C@H]1C(=O)NN 843450625 VAKLGTJSKMYREA-ZETCQYMHSA-N 214.269 -0.441 50 20 BBGD COC/C=C/C(=O)NNC(=O)[C@@H]1CCO[C@H]1C 843970410 FQDQUAISLMHWCR-DXMIZCBPSA-N 242.275 -0.239 50 20 BBGD CC(C)NC(=O)NNC(=O)[C@@H]1CC[C@H]1C(N)=O 847401616 IRUWBILFEXTIGE-RNFRBKRXSA-N 242.279 -0.763 50 20 BBGD Cc1cc(=NNC(=O)[C@@H]2CC(=O)N(C)C2)cc[nH]1 862509289 IBNQNQWDNDHVMW-SECBINFHSA-N 248.286 -0.267 50 20 BBGD OC[C@H](NCc1ccccc1B(O)O)C1CC1 877045273 UPLZJSGZSWASBN-LBPRGKRZSA-N 235.092 -0.773 50 20 BBGD COC(=O)NNC(=O)[C@]1(OC)CCSC1 895513056 UYRPLTTYOBDGOK-QMMMGPOBSA-N 234.277 -0.104 50 20 BBGD CCn1cc(C=NNC(=O)C(C)(C)O)nn1 901226547 CBJFFRYKFDNZJW-UHFFFAOYSA-N 225.252 -0.481 50 20 BBGD C[C@H](O)CN(C)NC(=O)CCn1cccn1 910172597 CPLGTBOQXJDYKF-VIFPVBQESA-N 226.280 -0.383 50 20 BBGD CCN(CCO)NC(=O)[C@@H]1[C@H]2CCC(=O)[C@H]21 911443734 LGNTXBJXLFSDFS-UJNFCWOMSA-N 226.276 -0.443 50 20 BBGD CNC(=O)NNC(=O)C[C@H](C)n1ccnc1 1118298439 CSSSAHOGOJXMJE-ZETCQYMHSA-N 225.252 -0.206 50 20 BBGD Cn1cc(C(=O)NNC(=O)NCCC#N)cn1 1322228696 YXKBBKMWHZUAIH-UHFFFAOYSA-N 236.235 -0.722 50 20 BBGD CCOC(=O)NNC(=O)c1cnnn1CC 1325112839 VXJFMEKVTBJCBZ-UHFFFAOYSA-N 227.224 -0.311 50 20 BBGD COCCC(=O)NNc1nnc(C)c(O)n1 1325831884 CFMUOHNSLPVDMZ-UHFFFAOYSA-N 227.224 -0.635 50 20 BBGD O=C(C[C@@H]1CC(=O)N1)NNC(=O)C1CCCC1 1327754207 RSEOXJGYGGEACB-QMMMGPOBSA-N 239.275 -0.397 50 20 BBGD C[C@H](CO)N(C)NC(=O)C1(CO)CCOCC1 1332365556 GRPKBMIIODWJHD-SECBINFHSA-N 246.307 -0.881 50 20 BBGD CNC(=S)N(C)NC(=O)[C@]1(F)CCOC1 1334439367 FTAGSLBILWYKOU-QMMMGPOBSA-N 235.284 -0.418 50 20 BBGD Cc1cc(CC(=O)NNC(=O)[C@@H]2CCN2)no1 1579590444 ZWRRQDDOPOHPDI-QMMMGPOBSA-N 238.247 -0.965 50 20 BBGD CCNC(=O)NNC(=S)NC1CC1 64937097 RAKRSIQGMMDYBA-UHFFFAOYSA-N 202.283 -0.153 50 20 BBGD OB(O)c1cc(F)nc(Br)c1 206085419 ACFPEVAMVHUJCW-UHFFFAOYSA-N 219.806 -0.337 50 20 BBGD COc1ncnc(N)c1C=NNC(C)=O 308843059 OCSUGQBJXSRROD-UHFFFAOYSA-N 209.209 -0.463 50 20 BBGD N#CCCCNCc1ccc(B(O)O)cc1 585035603 WJIOLHNXDVYWTQ-UHFFFAOYSA-N 218.065 -0.240 50 20 BBGD OB(O)c1ccc(CN[C@H]2CCSC2)cc1 585039192 PQHRLBHZRXEVJV-NSHDSACASA-N 237.133 -0.039 50 20 BBGD C[C@@H]1C[C@H](NCc2ccccc2B(O)O)CO1 585048438 PLKKYFHMIBUNLU-KOLCDFICSA-N 235.092 -0.367 50 20 BBGD N#CCN1CCN(S(=O)(=O)CCl)CC1 725352156 UMWXEUXNNNNYFR-UHFFFAOYSA-N 237.712 -0.346 50 20 BBGD Cn1nncc1C=NNC(=O)c1ccc[nH]1 751134598 MXUFCRPPCKEKPC-UHFFFAOYSA-N 218.220 -0.093 50 20 BBGD COCCC[C@@H](C)C(=O)NNC(=O)CO 753440213 RWSXMXFEIAMXSJ-SSDOTTSWSA-N 218.253 -0.811 50 20 BBGD CCOCCN(C)[C@H](C)C(=O)NNC(=O)CC 772375118 TYYSNPYTEXTYCR-SECBINFHSA-N 245.323 -0.099 50 20 BBGD COc1cccc(NNC(=O)Cn2cncn2)n1 781024295 XFJJFVDETFMIIJ-UHFFFAOYSA-N 248.246 -0.175 50 20 BBGD Cc1ccc(C(=O)NNC(=O)c2cnnn2C)o1 798974408 HPEVHGSPKMUMFZ-UHFFFAOYSA-N 249.230 -0.209 50 20 BBGD C[C@H]1C[C@H]1C(=O)NNC(=O)c1ncon1 832820797 AMOAPAYTPBHXCZ-CRCLSJGQSA-N 210.193 -0.513 50 20 BBGD C[C@@H]1OCC[C@H]1C(=O)NN=Cc1cnc(N)nc1 842559425 CFMPLEZZZNHRNI-IONNQARKSA-N 249.274 -0.066 50 20 BBGD CNC(=S)N(C)NC(=O)[C@H](C)NC(=O)OC 854922503 AQZHQIYCLBFMQM-YFKPBYRVSA-N 248.308 -0.802 50 20 BBGD C[C@H]1CC(=NNC(=O)[C@@H]2CCC(=O)N2)CO1 863150850 CSXIJKHFAPDUTG-XPUUQOCRSA-N 225.248 -0.454 50 20 BBGD O=C(NOCC1CC1)c1cccc(B(O)O)c1 863883459 AUMZQULESQEJMY-UHFFFAOYSA-N 235.048 -0.562 50 20 BBGD COCCCNC(=O)NNC(=O)[C@@H]1CCOC1 921207991 ASPRMGXNLCDMOQ-MRVPVSSYSA-N 245.279 -0.610 50 20 BBGD CNC(=O)NNC(=S)NC[C@H]1CCOC1 1320027905 MTEBKGVFAXXHDW-ZCFIWIBFSA-N 232.309 -0.669 50 20 BBGD CC(C)(C)c1n[nH]cc1C=NNC(=O)C(N)=O 1337121484 HLWQNNASSGGWIC-UHFFFAOYSA-N 237.263 -0.357 50 20 BBGD CCCNC(=S)NNC(=O)NCC(=O)O 1595931496 LWTYJHDYDWXBEV-UHFFFAOYSA-N 234.281 -0.841 50 20 BBGD O=C(CO)NNc1cccc(F)c1C(=O)O 1608342948 LQAZYKFVCBBVQC-UHFFFAOYSA-N 228.179 -0.041 50 20 BBGD CNC(=O)NNC(=O)COc1cccc(C#N)c1 48950482 XLSZHXRWQNAAED-UHFFFAOYSA-N 248.242 -0.103 50 20 BBGD CCNC(=O)CNS(=O)(=O)CCl 82511834 WMQXNWUBINHBAA-UHFFFAOYSA-N 214.674 -0.762 50 20 BBGD CC(=O)NCC(=O)NNC(=O)CC(C)(C)C 171483457 CBDRMXQRRQYDAQ-UHFFFAOYSA-N 229.280 -0.294 50 20 BBGD CC(C)CC(=O)NNC(=O)c1nc[nH]n1 269455469 QEFBPZOHDDBZJB-UHFFFAOYSA-N 211.225 -0.388 50 20 BBGD NC(=O)C(=O)NN=C[C@@H]1CCSC1 379373370 LFGZNCCUDIKGHB-YFKPBYRVSA-N 201.251 -0.673 50 20 BBGD O=C(NC[C@H]1CC12CC2)c1cccc(B(O)O)c1 584999280 FBJANYKNGLLPRM-SNVBAGLBSA-N 245.087 -0.104 50 20 BBGD CC[C@H]1COC[C@@H]1NCc1ccc(B(O)O)o1 585047093 GNCZSRFGVWZNOK-WPRPVWTQSA-N 239.080 -0.526 50 20 BBGD CC(=O)N1CCC[C@@H](C(=O)NNC(=O)O)C1 736136201 VJYCTVHGHIJGSG-SSDOTTSWSA-N 229.236 -0.456 50 20 BBGD CCNC(=O)NNC(=O)[C@@H]1C[C@H]1C(=O)O 737124171 YWQQGKBFYDAOBJ-RFZPGFLSSA-N 215.209 -0.943 50 20 BBGD O=C(NNC(=O)[C@@H]1CCOC1)c1ncccn1 754353127 DYPLCQZEEOUJRK-SSDOTTSWSA-N 236.231 -0.726 50 20 BBGD COC(=O)NNC(=O)Nc1nccn(C)c1=O 757907279 NHQMRBDBJZVIKW-UHFFFAOYSA-N 241.207 -0.827 50 20 BBGD CCNC(=O)N(C)NC(=O)[C@](C)(O)COC 768413379 QWKZPONXEYTCHC-SECBINFHSA-N 233.268 -0.924 50 20 BBGD C[C@@H]1CC(=NNC(=O)NCC(=O)O)CCO1 833587760 MSLWTQDYVUDIQS-ZCFIWIBFSA-N 229.236 -0.075 50 20 BBGD CNC(=S)N(C)NC(=O)CC1OCCO1 854922993 VZVUZINJBLEUAU-UHFFFAOYSA-N 233.293 -0.783 50 20 BBGD C[C@H](O)CN(C)NC(=O)C1(O)CCSCC1 910155661 OMXPJUHRPHPCOA-QMMMGPOBSA-N 248.348 -0.412 50 20 BBGD C[C@H](O)CN(C)NC(=O)C12CCCN1CCC2 1262178276 WLNNBHNTZYRRBU-JTQLQIEISA-N 241.335 -0.041 50 20 BBGD C=CCCC(=O)NNC(=O)C(=O)NC1CC1 1318186536 CUEAYEHLVDHPAC-UHFFFAOYSA-N 225.248 -0.621 50 20 BBGD COC(=O)C(=O)NNC(=O)NCCCSC 1323452815 AWLMHMYXUDIHJK-UHFFFAOYSA-N 249.292 -0.757 50 20 BBGD CC(C)C(=O)NNC(=O)[C@]1(F)CCOC1 1323467182 YBYACRYRYYIQFD-VIFPVBQESA-N 218.228 -0.082 50 20 BBGD NC(=O)C(=O)NN=Cc1cccc2nccn12 1324141231 YVLJKFRPTYSAHJ-UHFFFAOYSA-N 231.215 -0.730 50 20 BBGD NC[C@H]1OCC[C@@H]1C(=O)NNc1ncccn1 1327595675 AFBYWSBIRZKIGU-JGVFFNPUSA-N 237.263 -0.717 50 20 BBGD O=C1N[C@H](C(=O)NNc2ncccn2)CCO1 1331534160 SNIWRGGZLIPZGF-LURJTMIESA-N 237.219 -0.582 50 20 BBGD Cc1cnn(C)c1C(=O)NN(C)C[C@H](C)O 1333348471 ZZLMTLWCAVHICR-QMMMGPOBSA-N 226.280 -0.314 50 20 BBGD CS(=O)(=O)CC(=O)NN=C1CCC(O)CC1 1335346937 GWSFFRDURPFEAT-UHFFFAOYSA-N 248.304 -0.562 50 20 BBGD N#Cc1ncn(CC(=O)NNC(=O)C2CCC2)n1 1340626040 OYZHOEQSZISLCN-UHFFFAOYSA-N 248.246 -0.903 50 20 BBGD CCNC(=O)NNC(=O)[C@@H](C)c1cnccn1 1353988542 FDMNUIYWUUTPAZ-ZETCQYMHSA-N 237.263 -0.070 50 20 BBGD CC(=O)NNC(=O)[C@@H]1CC[C@H](C(=O)O)C1 1588515541 UTVPDACKFWCWAC-RQJHMYQMSA-N 214.221 -0.345 50 20 BBGD C[C@H](O)CN(C)NC(=O)CCCCC(=O)O 1589151762 BMVVMYBENCBQOP-QMMMGPOBSA-N 232.280 -0.025 50 20 BBGD C[C@H](O)CN(C)NC(=O)[C@@H]1CC[C@H]1C(=O)O 1589151827 CDZSDWSLYZIFJU-XLPZGREQSA-N 230.264 -0.559 50 20 BBGD CC(C)NC(=O)N1CC[C@@H](B(O)O)C1 585057723 YEMRMSXIQVOZQG-SSDOTTSWSA-N 200.047 -0.347 50 20 BBGD CNC(=O)NNC(=O)CSc1n[nH]c(C)n1 746159048 FOGIQOLAAQABRD-UHFFFAOYSA-N 244.280 -0.835 50 20 BBGD C[C@H]1C[C@H]1C(=O)NNC(=O)c1ccnnc1 756766626 QIQDVIZHOMTZPS-POYBYMJQSA-N 220.232 -0.106 50 20 BBGD COCC(=O)NNC(=O)Nc1nccs1 761860774 AADWKSHUHXGYPU-UHFFFAOYSA-N 230.249 -0.058 50 20 BBGD CC(=NNC(=O)C(F)F)c1cnnn1C 814902640 WXDLFWWWMYNIRP-UHFFFAOYSA-N 217.179 -0.080 50 20 BBGD CN(NC(=O)[C@](C)(C#N)CC(=O)O)C(N)=O 820607753 SWWYYEMPDYPXBN-QMMMGPOBSA-N 228.208 -0.967 50 20 BBGD CCNC(=O)N(C)NC(=O)[C@@H](C)N(C)C 821784251 YOJVLMDSWMPSRY-SSDOTTSWSA-N 216.285 -0.371 50 20 BBGD CCNC(=O)NNC(=O)[C@H](O)C1CC1 823798129 BCRYFBHSUUXKAF-ZCFIWIBFSA-N 201.226 -0.892 50 20 BBGD CCN(CCO)NC(=O)c1cnccn1 823833518 DAYXQJXSRPOODM-UHFFFAOYSA-N 210.237 -0.564 50 20 BBGD CCO[C@H](C)C(=O)NNC(=O)[C@H]1CCO[C@H]1C 843648330 XDNNTAMLPIDHTE-YIZRAAEISA-N 244.291 -0.016 50 20 BBGD O=C1CC[C@@H](C(=O)NNC(=O)c2cc[nH]n2)C1 855354991 PLHBLFOLXKAYSU-ZCFIWIBFSA-N 236.231 -0.460 50 20 BBGD COC(=O)N(C)NC(=O)[C@H]1CCOC(=O)N1 861656335 HYLCSPYIHWNRDY-RXMQYKEDSA-N 231.208 -0.786 50 20 BBGD C[C@@H]1OCCC1=NNC(=O)[C@@H]1CCC(=O)N1 863148218 WPVARKSQBCEQSK-XPUUQOCRSA-N 225.248 -0.454 50 20 BBGD CN1CCC[C@H]1C(=O)NNc1cnnn1C 897845847 GXINPOBVOFTORZ-ZETCQYMHSA-N 224.268 -0.648 50 20 BBGD C[C@@H](O)CN(C)NC(=O)[C@@H](O)C1CC1 910157621 RRKPBLLJGVKYSC-SVRRBLITSA-N 202.254 -0.899 50 20 BBGD C[C@H](O)CN(C)NC(=O)[C@@](C)(O)C1CC1 910158998 YDNYBTBEFMSYHI-XVKPBYJWSA-N 216.281 -0.509 50 20 BBGD CCCNC(=S)NNC(=O)[C@H]1CCC(=O)N1 913164562 XAGKCHSPFOQBBO-ZCFIWIBFSA-N 244.320 -0.830 50 20 BBGD NNC(=O)CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O 916665602 OCVNWZAHIPRIDS-YUMQZZPRSA-N 239.275 -0.458 50 20 BBGD CSSCCN1C(=O)N[C@@H](CO)C1=O 1335252279 NXGWQIACCFVGHE-YFKPBYRVSA-N 236.318 -0.090 50 20 BBGD CC(C)Cn1nccc1C=NNC(=O)C(N)=O 1345932612 YDZCXAJLRGABJQ-UHFFFAOYSA-N 237.263 -0.526 50 20 BBGD CN(NC(=O)[C@@H]1CCS(=O)(=O)C1)C1CC1 1348978054 IRCKSVQWPWGZHG-SSDOTTSWSA-N 232.305 -0.454 50 20 BBGD O=C(c1ccc(F)cn1)N1CC[C@@H](B(O)O)C1 1351729983 SNNCTRMPERRAMF-SSDOTTSWSA-N 238.027 -0.090 50 20 BBGD CC(C)(O)[C@H](N)C(=O)NNc1ccc(C#N)cn1 1575388322 YKXQQNVLHKHWAQ-SECBINFHSA-N 249.274 -0.505 50 20 BBGD CCO/C=C(\C#N)C(=O)NC[C@H](F)C(=O)O 1596861672 FKWAQYHMGOHGFX-XPPMVYLVSA-N 230.195 -0.031 50 20 BBGD CC(C)c1nnc2n1C[C@H](C(=O)NN)CC2 39947104 KEZQEVBWFOSWEP-SSDOTTSWSA-N 223.280 -0.046 50 20 BBGD Cc1ncsc1C(=O)NNC(=O)CN(C)C 75653579 ABLIRMYSBYCIGB-UHFFFAOYSA-N 242.304 -0.226 50 20 BBGD CN(C)CC(=O)NNC(=O)c1ccncc1F 265929021 FGDQPMQPQIZELB-UHFFFAOYSA-N 240.238 -0.457 50 20 BBGD CCO/C=C(\C#N)C(=O)NCC#CCO 491173683 DUZYDQROIKFPNZ-CMDGGOBGSA-N 208.217 -0.458 50 20 BBGD C[C@](O)(CNCc1ccc(B(O)O)o1)C1CC1 585023908 NTGPWIGISISNOR-NSHDSACASA-N 239.080 -0.790 50 20 BBGD C[C@H](C(=O)NNC(=O)C(C)(C)O)C1CC1 768245637 WYGMWBKYJFGXLB-LURJTMIESA-N 214.265 -0.049 50 20 BBGD CC(C)(O)C(=O)NNC(=O)[C@@H]1C[C@H]1C1CC1 787948384 CXKMLKQZUAQCRH-JGVFFNPUSA-N 226.276 -0.049 50 20 BBGD CC[C@H](C)[C@H](OC)C(=O)NNC(=O)C(C)(C)O 793927037 WRQCIICXKZYSGM-YUMQZZPRSA-N 246.307 -0.034 50 20 BBGD Cn1cncc1CC(=O)NN=c1cc[nH]cc1 807211877 ZVRIBSRGBXLELY-UHFFFAOYSA-N 231.259 -0.077 50 20 BBGD CC#CC(=O)NNC(=O)C(C)(OCC)OCC 854388249 CXDHBYBZJAIOIS-UHFFFAOYSA-N 242.275 -0.054 50 20 BBGD CCn1cc(C=NNC(=O)CN(C)C)nn1 901183170 HIALIKXEQSNEBZ-UHFFFAOYSA-N 224.268 -0.690 50 20 BBGD C[C@@H](O)CN(C)NC(=O)[C@H]1CCN(C)C1 910156853 NHJUBTNEPMTZTQ-BDAKNGLRSA-N 215.297 -0.718 50 20 BBGD C[C@@H]1C[C@@H]1C(=O)NNC(=O)CN1CCCC1=O 920433944 MBASHOFNPSLYMQ-SFYZADRCSA-N 239.275 -0.588 50 20 BBGD C[C@@H](O)CN(C)NC(=O)C1CCOCC1 1262178143 RLORJVUUJAOJDR-MRVPVSSYSA-N 216.281 -0.243 50 20 BBGD COC(=O)C(=O)NN=C1CCCOCC1 1319972909 LXVOSJVEAPUKQX-UHFFFAOYSA-N 214.221 -0.168 50 20 BBGD CC(=O)N[C@H](C)C(=O)NNc1cccnn1 1323744839 PGUIQXNUGIKPBQ-ZCFIWIBFSA-N 223.236 -0.556 50 20 BBGD CCNC(=O)N(C)NC(=O)[C@]1(F)CCOC1 1324317133 XWDQGMNGPCNKQZ-VIFPVBQESA-N 233.243 -0.193 50 20 BBGD CNC(=S)N(C)NC(=O)[C@@H](C)n1ccnc1 1328744963 OOQIEANRDNBHEB-SSDOTTSWSA-N 241.320 -0.089 50 20 BBGD O=C(NNc1nc[nH]n1)C1(F)CCOCC1 1330737312 BCFWZBHGKKTACW-UHFFFAOYSA-N 229.215 -0.234 50 20 BBGD CN(NC(=O)CN1CCC(CO)CC1)C1CC1 1337318580 FEZKJEVSRBUODX-UHFFFAOYSA-N 241.335 -0.184 50 20 BBGD CC[C@@H](F)C(=O)NNC(=O)c1cn[nH]c1 1347202648 LWMSOLPFGQFRCM-ZCFIWIBFSA-N 214.200 -0.081 50 20 BBGD C#CCCCC(=O)NNC(=O)C[C@@H]1CC(=O)N1 1351833688 INESAAJVPBMBER-QMMMGPOBSA-N 237.259 -0.784 50 20 BBGD CCN(CCO)NC(=O)c1ccc(CN)o1 1577725633 HDEFEWRCDGGCON-UHFFFAOYSA-N 227.264 -0.303 50 20 BBGD C[C@H](CC(=O)O)CC(=O)NNC(=O)N(C)C 1592391630 OHXDFOBWPZWJDG-LURJTMIESA-N 231.252 -0.210 50 20 BBGD CC[C@H](C(=O)O)C(=O)NNc1ccn(C)n1 1604877822 CEVMABPSSZRLPX-LURJTMIESA-N 226.236 -0.026 50 20 BBGD O=C(CCl)N1CCN2C(=O)NC[C@@H]2C1 85807872 IQXGNOSUFVHSLF-ZCFIWIBFSA-N 217.656 -0.539 50 20 BBGD O=C(NC1CCC1)c1ccc(B(O)O)cc1 221573486 PABUCFHQMYINDV-UHFFFAOYSA-N 219.049 -0.351 50 20 BBGD CC(C)(O)C(=O)NNc1cc(Cl)nc(N)n1 277218948 WHKJQEOLSDDWQK-UHFFFAOYSA-N 245.670 -0.074 50 20 BBGD CC(C)(O)C(=O)NNC(=O)Cc1ccco1 277987575 PGJSWTKGHGMENI-UHFFFAOYSA-N 226.232 -0.260 50 20 BBGD COC(=O)NNC(=O)[C@H]1C[C@@]12CCOC2 375169731 BMNXVEIFZFQCJJ-HZGVNTEJSA-N 214.221 -0.200 50 20 BBGD CNC(=O)NNC(=O)/C=C/C1CCOCC1 491886255 RAEDUEOYGKDYQX-NSCUHMNNSA-N 227.264 -0.071 50 20 BBGD O=C(NCB(O)O)c1cnc(C2CC2)s1 585061085 KWKACTMZMZRSAS-UHFFFAOYSA-N 226.066 -0.238 50 20 BBGD CC(C)Oc1cncc(C(=O)NCB(O)O)c1 585062574 JWAWIFUHHUOAEY-UHFFFAOYSA-N 238.052 -0.389 50 20 BBGD C/C(=C/c1ccco1)C(=O)NCB(O)O 585062761 MMKQWZPLORAFMG-ALCCZGGFSA-N 209.010 -0.189 50 20 BBGD O=C(O)CC(=O)NNC(=O)[C@@H]1C[C@H]2CC[C@H]1O2 738555747 HJVFKEGDQXDVQI-FSDSQADBSA-N 242.231 -0.824 50 20 BBGD CCCNC(=S)NNC(=O)N1CCOCC1 745730415 SPXOHXWGENBUCE-UHFFFAOYSA-N 246.336 -0.183 50 20 BBGD CCNC(=O)NNC(=O)Cn1ccccc1=O 750673664 CDGZDHOOFFPUNR-UHFFFAOYSA-N 238.247 -0.801 50 20 BBGD COC(=O)C[C@H](C)C(=O)NNC(=O)C(C)C 758372488 SLLHPQSQYJTGOX-ZETCQYMHSA-N 230.264 -0.011 50 20 BBGD COCC(=O)NN=Cc1c(N)ncnc1OC 761819809 RMBFODSUQWDHIF-UHFFFAOYSA-N 239.235 -0.836 50 20 BBGD CC(C)C(=O)NNC(=O)CN1CCC[C@H]1CO 767178674 FZRTVNHJQWBZDL-VIFPVBQESA-N 243.307 -0.754 50 20 BBGD CCC(=NNC(=O)CO)c1cnn(C)c1 776775884 CFLLFXMRHKQJDB-UHFFFAOYSA-N 210.237 -0.357 50 20 BBGD Cn1ncc(C(=O)NNc2ccccn2)n1 786524222 CDHDDHXWBODRCA-UHFFFAOYSA-N 218.220 -0.033 50 20 BBGD CN(NC(=O)[C@](C)(O)C1CCC1)C(N)=O 813506324 FNXAXEZWZQKPTE-SECBINFHSA-N 215.253 -0.421 50 20 BBGD Cc1ncoc1C(=O)NN(C)[C@@H](C)CO 823951163 ISHWPLPIRKIYOT-LURJTMIESA-N 213.237 -0.060 50 20 BBGD C#C[C@H](C)NCc1cccc(B(O)O)c1 863890275 QYIHXTCHWHMQER-VIFPVBQESA-N 203.050 -0.522 50 20 BBGD C[C@H](O)CN(C)NC(=O)c1cc2ncccn2n1 910158095 UOMAMOGBUBRLFZ-QMMMGPOBSA-N 249.274 -0.313 50 20 BBGD Cc1n[nH]cc1C(=O)NN(C)C[C@@H](C)O 910170912 PANJDOAKFMFUPV-ZCFIWIBFSA-N 212.253 -0.324 50 20 BBGD CCN1CCN(CCC(=O)NNC(C)=O)CC1 1117739087 ZWSCJNRNVMDPFK-UHFFFAOYSA-N 242.323 -0.819 50 20 BBGD CCC(=O)N[C@@H](C)C(=O)NNC(C)=O 1117740617 PYEWNLFVUWSCDD-YFKPBYRVSA-N 201.226 -0.932 50 20 BBGD CS(=O)(=O)CC(=O)NN=Cc1cnsc1 1119072966 XTGHEHLHNMHBBC-UHFFFAOYSA-N 247.301 -0.362 50 20 BBGD NNC(=O)N[C@@H]1Cc2ccccc2[C@H]1N 1120666248 CUSPTDDDWUDSPN-RKDXNWHRSA-N 206.249 -0.216 50 20 BBGD C=C(CC)C(=O)NNC(=O)C(=O)N1CCCC1 1123637185 RPGVXOSPSLJALJ-UHFFFAOYSA-N 239.275 -0.278 50 20 BBGD COC(=O)C(=O)NN=Cc1cn(C)cn1 1256376959 SEIPMPPNVZUKSO-UHFFFAOYSA-N 210.193 -0.957 50 20 BBGD CCCNC(=O)NNC(=O)[C@H]1CCC(=O)N1 1261813232 MVKOEOVEOBWZLN-ZCFIWIBFSA-N 228.252 -0.995 50 20 BBGD O=C(NNC(=O)[C@H]1CCCO1)C1CCOCC1 1325043150 SUSQXSROELALTJ-SECBINFHSA-N 242.275 -0.261 50 20 BBGD CN(C)CC(=O)NNC(=O)C1(F)CCOCC1 1333037670 NHOORLOKKAPDPH-UHFFFAOYSA-N 247.270 -0.786 50 20 BBGD CC(C)(C)CCNC(=O)NNC(=O)C(=O)O 1589776773 HCBUNKJPDNIPPN-UHFFFAOYSA-N 231.252 -0.162 50 20 BBGD CC(C)C1(CNC(=O)NNC(=O)C(=O)O)CC1 1591060818 XZCYQTXUKFIAAH-UHFFFAOYSA-N 243.263 -0.162 50 20 BBGD COC(=O)N(C)NC(=O)NC[C@@H](C)C(=O)O 1593855810 MWGLSUSMKRPXHJ-RXMQYKEDSA-N 233.224 -0.381 50 20 BBGD CC[C@@H](C(=O)NN(C)C(N)=O)N1CCCC1=O 179695127 VRVYAQWXWMFWGC-ZETCQYMHSA-N 242.279 -0.571 50 20 BBGD CCO/C=C(\C#N)C(=O)N(C)CC(=O)N(C)C 269576601 OJXCCERELPPWKP-CMDGGOBGSA-N 239.275 -0.023 50 20 BBGD COCCN(C)NC(=O)c1cncnc1 293686241 RTTMWMXPLUQEGJ-UHFFFAOYSA-N 210.237 -0.300 50 20 BBGD CCN(CC(=O)NNc1nnc[nH]1)C1CC1 294067228 YGIWQNBVOIANLT-UHFFFAOYSA-N 224.268 -0.268 50 20 BBGD CCNC(=O)NNC(=O)[C@H]1CCCN1C 733869239 GXYFLVNIEXCJFH-SSDOTTSWSA-N 214.269 -0.569 50 20 BBGD C[C@@H]1OCCC1=NNC(=O)CN1CCCC1=O 747755790 VCNKNLOOVCBTES-QMMMGPOBSA-N 239.275 -0.110 50 20 BBGD Cc1nc(C)c(C(=O)NNC(=O)CN(C)C)o1 751061665 YMQQDQZGRSPDNI-UHFFFAOYSA-N 240.263 -0.386 50 20 BBGD CN(NC(=O)[C@H](O)c1ccccc1)C(N)=O 778412290 RGANVWUIVFAYPU-MRVPVSSYSA-N 223.232 -0.238 50 20 BBGD CCNC(=O)NNC(=O)[C@H](CC)CO 779749443 LUKGHIYZSSKZDX-ZCFIWIBFSA-N 203.242 -0.645 50 20 BBGD CCNC(=O)N(C)NC(=O)c1n[nH]c(C)c1O 780709033 BIKFMJOZLQBFNB-UHFFFAOYSA-N 241.251 -0.270 50 20 BBGD CCNC(=O)N(C)NC(=O)[C@@H](C)n1cncn1 780711019 GMPSQBOLKIUNBU-SSDOTTSWSA-N 240.267 -0.468 50 20 BBGD CCNC(=O)CC(=O)NNC(=O)c1ccccc1 780849063 HKUDLUQRZVGJHQ-UHFFFAOYSA-N 249.270 -0.026 50 20 BBGD CC(C)CC(=O)NNC(=O)CCCC(N)=O 786834736 HCMGWMMEUIPCNW-UHFFFAOYSA-N 229.280 -0.165 50 20 BBGD Cn1cc(C(=O)NNC(=O)COC(F)F)cn1 796531504 ZPLOULGRXZUNOR-UHFFFAOYSA-N 248.189 -0.580 50 20 BBGD C[C@@H](O)CN(C)NC(=O)C(=O)C(C)(C)C 821217577 LKJMYRROLKWNKD-SSDOTTSWSA-N 216.281 -0.055 50 20 BBGD C#CCOCCNS(=O)(=O)CCl 831085445 BEUPMOXTPBTFKJ-UHFFFAOYSA-N 211.670 -0.248 50 20 BBGD CCNC(=O)N(C)NC(=O)[C@@H]1C[C@H]2C[C@H]2N1 843493344 KIAWBEKLQFINGQ-PRJMDXOYSA-N 226.280 -0.571 50 20 BBGD O=C(NNC(=O)C1CC1)c1cnc2cccnn12 845077058 SFKUJFSXHMQTHT-UHFFFAOYSA-N 245.242 -0.100 50 20 BBGD C[C@H](O)CN(C)NC(=O)[C@H](C)n1cccn1 910168682 QBWZRZVYZNDASD-IUCAKERBSA-N 226.280 -0.212 50 20 BBGD CCC(=O)NNC(=O)[C@@H](C)N[C@@H](CC)CO 931771010 IKKJEYGQNOFEIK-SFYZADRCSA-N 231.296 -0.707 50 20 BBGD CN(C)C(=O)NNC(=O)CC1OCCO1 1256331229 FDWAYUSBYARHPV-UHFFFAOYSA-N 217.225 -0.948 50 20 BBGD C[C@]1(C(=O)NNc2cccnn2)CCNC1=O 1330246675 AYVSZZUIGWKQPO-JTQLQIEISA-N 235.247 -0.554 50 20 BBGD CC1=NO[C@@](C)(C(=O)NN(C)C[C@@H](C)O)C1 1335951940 NEZMICHNYWRIJW-PSASIEDQSA-N 229.280 -0.115 50 20 BBGD CC[C@H](F)C(=O)NNC(=O)c1cn[nH]c1 1347202647 LWMSOLPFGQFRCM-LURJTMIESA-N 214.200 -0.081 50 20 BBGD Cn1cc(C(=O)NNC(=O)[C@H]2C[C@@H]2F)cn1 1517381402 AXLDLYHETBGTBJ-BQBZGAKWSA-N 226.211 -0.461 50 20 BBGD CC1(C)CC(=NNC(=O)NCC(=O)O)CO1 1604512352 JFNGAXGUOGPWCE-UHFFFAOYSA-N 229.236 -0.075 50 20 BBGD COc1nccnc1NNC(=O)CCC(=O)O 1611074452 BHMWBDACAAKPTR-UHFFFAOYSA-N 240.219 -0.207 50 20 BBGD N#CCC(=O)NNc1cc(Cl)[nH]c(=N)n1 380239288 MZQQLMMHBSZJAI-UHFFFAOYSA-N 226.627 -0.101 50 20 BBGD CCO/C=C\C(=O)NNC(=O)NCCCOC 493593797 YXLDKUALBSNJQK-YVMONPNESA-N 245.279 -0.097 50 20 BBGD O=C1NCC[C@@H]1CCOc1ccc(B(O)O)cc1 584909854 JFWCBYJKPRIQOI-SECBINFHSA-N 249.075 -0.729 50 20 BBGD CNC(=O)NNC(=O)[C@@H](C(C)C)N(C)C 732061726 MVIXGMAPZXIDKM-SSDOTTSWSA-N 216.285 -0.467 50 20 BBGD COc1ccnc(NNC(=O)c2ccnn2C)n1 748835825 GSSQMWUFKXBDOC-UHFFFAOYSA-N 248.246 -0.024 50 20 BBGD CCNC(=O)NNC(=O)c1ccc2nc[nH]c2n1 755162477 MOOZMXMWMNXBCP-UHFFFAOYSA-N 248.246 -0.078 50 20 BBGD CC(=O)NNC(=O)CCC(=O)NC1CCCC1 763388739 YBQMLJMXRGCYOX-UHFFFAOYSA-N 241.291 -0.007 50 20 BBGD CCNC(=O)NNC(=O)[C@@](C)(O)C(C)C 771273268 PXPLAFYQLMIYRW-VIFPVBQESA-N 217.269 -0.256 50 20 BBGD COC(=O)NNC(=O)Nc1ccnn1C 775752192 DNKFEUUTKGHGIZ-UHFFFAOYSA-N 213.197 -0.187 50 20 BBGD CCN(CCO)NC(=O)COCC1CC1 823847326 VNHBGWZXRATKBD-UHFFFAOYSA-N 216.281 -0.242 50 20 BBGD N#CSCCCNC(=O)[C@H]1CC(=O)N1 854366681 DOYGKJNCMMGSBJ-ZCFIWIBFSA-N 213.262 -0.405 50 20 BBGD COc1ccnc(C(C)=NNC(=O)CO)c1 863104754 QCEAFHARCREMRQ-UHFFFAOYSA-N 223.232 -0.077 50 20 BBGD CCO/C=C(/C#N)C(=O)N[C@@H]1COCC[C@H]1O 871190314 DJCWHICTNUCZEH-WMDQRADGSA-N 240.259 -0.304 50 20 BBGD CCc1nc(C=NNC(=O)C(N)=O)cs1 1116379738 AMAMCEQXFOHBGI-UHFFFAOYSA-N 226.261 -0.359 50 20 BBGD COc1cnc(C(=O)NNC(=O)N(C)C)nc1 1261237970 MNVIGDOFIXQWFG-UHFFFAOYSA-N 239.235 -0.599 50 20 BBGD CC1(C(=O)NNC(=O)C(=O)NC2CC2)CC1 1319656666 ROUOWWMOEBTKPY-UHFFFAOYSA-N 225.248 -0.788 50 20 BBGD CC(C)(O)C(=O)NNC(=O)[C@@]1(F)CCOC1 1326074475 JVMCIBGEBBXPTQ-SECBINFHSA-N 234.227 -0.967 50 20 BBGD CC(C)(C)C(=O)C(=O)NNC(=O)c1cc[nH]n1 1331245342 ASEFZNSPSZWNCW-UHFFFAOYSA-N 238.247 -0.214 50 20 BBGD COc1cncc(C=NNC(=O)CCO)c1 1347221932 DCEZXJSMRSNHRM-UHFFFAOYSA-N 223.232 -0.077 50 20 BBGD CNC(=O)NNC(=O)C[C@H](C)CC(=O)O 1606281196 QGYAEMXVWMOZPI-YFKPBYRVSA-N 217.225 -0.553 50 20 BBGD CN(C)C(=O)NNC(=O)COc1cccnc1 264697648 SPXHUAICKANUCB-UHFFFAOYSA-N 238.247 -0.237 50 20 BBGD CC(C)(O)C(=O)NNC(=O)c1ccc(F)cn1 277918525 ILRFHSLMVGGZMR-UHFFFAOYSA-N 241.222 -0.247 50 20 BBGD O=C(Nc1cccc(B(O)O)c1)[C@@H]1CCOC1 404990818 BZKNMZJQGYZABM-MRVPVSSYSA-N 235.048 -0.659 50 20 BBGD C[C@@H]1OC(=O)N[C@H]1C(=O)NNC(=O)C1CC1 496895138 XXAKSEOZKPSGOG-UJURSFKZSA-N 227.220 -0.959 50 20 BBGD COC(=O)N1C[C@H]2C=C[C@H]1[C@H](C(=O)NN)C2 497182657 ZDOMVVVRRUGWST-RNJXMRFFSA-N 225.248 -0.381 50 20 BBGD OC[C@@H](CNCc1ccccc1B(O)O)C1CC1 585042108 ZQQLLUOBHJDAJT-GFCCVEGCSA-N 249.119 -0.526 50 20 BBGD Cc1cc(C(=O)NCB(O)O)nn1C(C)(C)C 585062969 XVQPZIIZWWDBJX-UHFFFAOYSA-N 239.084 -0.312 50 20 BBGD Cc1nccnc1N1CC[C@@H](B(O)O)C1 585078305 BUEXJCHKXOJADV-MRVPVSSYSA-N 207.042 -0.162 50 20 BBGD CCOC(=O)NNC(=O)C1(C(=O)NC)CCC1 729965707 CBPKOFYTTLXMQM-UHFFFAOYSA-N 243.263 -0.320 50 20 BBGD CC(C)C(=O)NNS(=O)(=O)N1CCCC1 740705872 NPPCMVBZFLFZHD-UHFFFAOYSA-N 235.309 -0.396 50 20 BBGD CC(=NNC(=O)CO)C(C)(C)n1cncn1 794525850 BHJZDOBHJVGSQQ-UHFFFAOYSA-N 225.252 -0.502 50 20 BBGD Cn1nncc1NC(=O)NNC(=O)CC1CC1 809905305 XGKBLLPSQVIIQS-UHFFFAOYSA-N 238.251 -0.232 50 20 BBGD CC(=O)NN=Cc1ccc(-c2nn[nH]n2)o1 819811244 WSJDUNBZDQGIJX-UHFFFAOYSA-N 220.192 -0.070 50 20 BBGD N#C/C=C/CN1C(=O)N[C@@]2(CCCNC2)C1=O 830549454 ONZUFNFLJJNLAF-FMBMQGQPSA-N 234.259 -0.260 50 20 BBGD CN(CC(=O)NN=c1cc[nH]cc1)C(=O)O 833692846 YLTHARGLFVCEBG-UHFFFAOYSA-N 224.220 -0.444 50 20 BBGD NNC(=O)CNC(=O)NCc1ccc(F)cc1 838143699 YUULTTHYSRZIBJ-UHFFFAOYSA-N 240.238 -0.385 50 20 BBGD CC(=NNC(=O)[C@@H]1CCC(=O)N1)c1cnn(C)c1 863145600 OTCLVFSGEKFSNW-VIFPVBQESA-N 249.274 -0.461 50 20 BBGD NNC(=O)[C@@]1(C2CCCC2)CCNC1=O 876789949 NSMAUOQCUCXSJM-SNVBAGLBSA-N 211.265 -0.327 50 20 BBGD CCCNC(=O)NNC(=O)[C@@H]1CC(=O)N(C)C1 921039241 LNQICVRSWJZQLX-SSDOTTSWSA-N 242.279 -0.795 50 20 BBGD O=C(CCO)NNC(=O)N1CCCC1 1320558102 VEFQDJKCKPOCTB-UHFFFAOYSA-N 201.226 -0.795 50 20 BBGD O=C(c1cccnc1F)N1CC[C@H](B(O)O)C1 1329291775 GPRFOSWWTUJFGH-ZETCQYMHSA-N 238.027 -0.090 50 20 BBGD O=C(NNC(=O)[C@H]1CC[C@H]1C(=O)O)NC1CC1 1594783224 WRMUVPXYTQVRCU-NKWVEPMBSA-N 241.247 -0.410 50 20 BBGD CC[C@H](NNC(=O)[C@H]1CCO[C@@H]1C)C(=O)O 1609931845 MPAHBQAFNZKYBG-CSMHCCOUSA-N 230.264 -0.105 50 20 BBGD CC(C)[C@@H](C)C(=O)NNC(=O)CN(C)C 172160661 FCFDIOCJROQDJV-MRVPVSSYSA-N 215.297 -0.013 50 20 BBGD C[C@H]1C[C@@H]1C(=O)NNC(=O)N1CCOCC1 194903459 SVVARUZSADHBLO-YUMQZZPRSA-N 227.264 -0.285 50 20 BBGD O=Cc1cc(Br)ccc1B(O)O 219730630 FKLBIQHALGCDPL-UHFFFAOYSA-N 228.838 -0.059 50 20 BBGD CC(=O)NNS(=O)(=O)c1ccoc1 306547918 XQAXQEBKDDGRCL-UHFFFAOYSA-N 204.207 -0.391 50 20 BBGD COC(=O)C(=O)NN=C(C)c1csc(N)n1 309275077 MAFJYUAKGHZFOD-UHFFFAOYSA-N 242.260 -0.262 50 20 BBGD CCCNC(=O)NNC(=O)CCNC(=O)O 737028557 JAPOZXVKCNUBFO-UHFFFAOYSA-N 232.240 -0.616 50 20 BBGD CC(C)C(=O)NNC(=O)[C@@H]1CN(C)CCO1 746095840 FBYBGUAHEAFIRT-QMMMGPOBSA-N 229.280 -0.880 50 20 BBGD O=C(N=c1cc[nH]cc1)NNC(=O)c1cnco1 802029368 PFZZMFZMISMAGU-UHFFFAOYSA-N 247.214 -0.042 50 20 BBGD CCOC(=O)[C@H](CC)C(=O)NN(C)[C@@H](C)CO 823917845 OSFNVNDDWPUMMI-DTWKUNHWSA-N 246.307 -0.081 50 20 BBGD CCNC(=O)N(C)NC(=O)[C@@H]1NCC1(C)C 831944497 ABRNWFLIWBMYJP-ZETCQYMHSA-N 228.296 -0.323 50 20 BBGD CC(C)N(C)CC(=O)NNC(=O)c1cn[nH]c1 862474331 KPDWHXXAAKMMNY-UHFFFAOYSA-N 239.279 -0.489 50 20 BBGD CCO[C@H]1C[C@H]1C(=O)NNC(=O)c1cn[nH]c1 862475070 XWTVHQVVXQWTPL-SFYZADRCSA-N 238.247 -0.404 50 20 BBGD COC(=O)[C@](C)(CO)NS(=O)(=O)CCl 867380192 DWHKEQWACBRRLG-LURJTMIESA-N 245.684 -0.974 50 20 BBGD COCCOCC(=O)NNC(=O)C1=CCCC1 869908434 NEXAOKMAXFHYJC-UHFFFAOYSA-N 242.275 -0.093 50 20 BBGD C[C@H](O)CN(C)NC(=O)c1ccn(C)n1 910166320 VFMGPXPFEICOSK-ZETCQYMHSA-N 212.253 -0.623 50 20 BBGD CC(C)NC(=S)NNC(=O)c1ccnnc1 1116398724 NPULOQZSRJGHAA-UHFFFAOYSA-N 239.304 -0.006 50 20 BBGD CC(=NNC(=O)C(N)=O)c1cscn1 1319665547 SPYRHCXCNBPBNJ-UHFFFAOYSA-N 212.234 -0.531 50 20 BBGD O=C(CO)NN=Cc1c[nH]nc1-c1cccnc1 1323492282 NMIQPBUYOQQFRQ-UHFFFAOYSA-N 245.242 -0.086 50 20 BBGD CC1(C)CN[C@H]1C(=O)NNC(=O)c1ccncc1 1573615055 VACRARMEIBAUQC-VIFPVBQESA-N 248.286 -0.159 50 20 BBGD C[C@@H]1[C@H](Cl)[C@H]1CNCC(=O)NCC(=O)O 1594190522 IOPFDKAZRXFVNQ-WATHFIQWSA-N 234.683 -0.350 50 20 BBGD C[C@H](CO)N(C)NC(=O)[C@@H]1CC[C@H]1C(=O)O 1603201459 CVBUPSBETFYSNP-BWZBUEFSSA-N 230.264 -0.559 50 20 BBGD C[C@@H](NC(=O)NNC(=O)C(=O)O)C1CC1 1604292770 ZKDFBROXEGEDHN-SCSAIBSYSA-N 215.209 -0.800 50 20 BBGD C[C@H](C(=O)O)C(=O)NNC(=O)[C@H]1CCCCO1 1609701310 YYICGDHMRFBSBE-NKWVEPMBSA-N 244.247 -0.576 50 20 BBGD COC[C@@H](O)CNS(=O)(=O)CCCCl 70590874 MHUGBKOYPOPFGY-ZETCQYMHSA-N 245.728 -0.458 50 20 BBGD O=C(CO)NNC(=O)Cc1c[nH]c2ccccc12 180945469 HQTFVZUKGSMTTO-UHFFFAOYSA-N 247.254 -0.150 50 20 BBGD C[C@@H]1OC(=O)N[C@@H]1C(=O)NN(C)C1CC1 496499926 MJWREMFIDMUFIE-FSPLSTOPSA-N 213.237 -0.391 50 20 BBGD C[C@H]1OC(=O)N[C@H]1C(=O)NNC(=O)CC1CC1 496570692 KTMCTHFHFMEQJT-SVGQVSJJSA-N 241.247 -0.569 50 20 BBGD CS/C=C/C(=O)NNC(=O)C(C)(C)O 768258998 CKARSKFEEMUXRZ-SNAWJCMRSA-N 218.278 -0.219 50 20 BBGD CN(C)C(=O)NNC(=O)[C@](C)(O)C1CCC1 813428319 WHTZZAPZAPABIF-SNVBAGLBSA-N 229.280 -0.160 50 20 BBGD CNC(=O)C1(C(=O)NNC(=O)CC2CC2)CC1 819118329 RDAGOAOPPOGNMN-UHFFFAOYSA-N 239.275 -0.540 50 20 BBGD O=C(NN=C1CCN(CCO)CC1)C(F)F 819812834 PWVAROOXAOHUMG-UHFFFAOYSA-N 235.234 -0.188 50 20 BBGD CNC(=O)NNC(=O)[C@H]1CCC[C@H](C(=O)O)C1 831001059 UAWJEZAECOXGBN-BQBZGAKWSA-N 243.263 -0.162 50 20 BBGD CO[C@H](CC(=O)NN(C)C(N)=O)C(F)(F)F 845904557 DWGKCWVKSQRPBS-SCSAIBSYSA-N 243.185 -0.005 50 20 BBGD COCCN(C)NC(=O)c1c[nH]c(C(N)=O)c1 848377471 LDWDGGANXSGLRD-UHFFFAOYSA-N 240.263 -0.663 50 20 BBGD CNC(=S)N(C)NC(=O)Cc1ncc[nH]1 854920319 AYJLTYIFXBVXCW-UHFFFAOYSA-N 227.293 -0.581 50 20 BBGD CNC(=S)N(C)NC(=O)[C@@H]1CC(C)=NO1 854922123 YGSDMNZBKHTJPS-LURJTMIESA-N 230.293 -0.382 50 20 BBGD C[C@H]1CC(=NNC(=O)CS(C)(=O)=O)CCO1 863188034 XDGVXEUDBYEACY-ZETCQYMHSA-N 248.304 -0.298 50 20 BBGD CC1(C)CN(C(=O)c2cccc(B(O)O)c2)C1 863881222 MNEAJNRTJAWHKL-UHFFFAOYSA-N 233.076 -0.152 50 20 BBGD C[C@H]1COCC1=NNC(=O)C(=O)NC1CC1 884405925 HKWCEZQGUDBXCK-LURJTMIESA-N 225.248 -0.597 50 20 BBGD C#CCCCC(=O)NNC(=O)[C@@H](C)OCC#C 887148913 BKOWJQUJEWIUOD-SNVBAGLBSA-N 236.271 -0.024 50 20 BBGD COC(=O)N(C)NC(=O)N[C@H]1COC[C@@H]1C 926031750 REMLIQVIFFCQFI-BQBZGAKWSA-N 231.252 -0.066 50 20 BBGD Cc1nc(C)c(C(=O)NN(C)C(N)=O)o1 1116450993 JEXXDYCPJAAIEU-UHFFFAOYSA-N 212.209 -0.053 50 20 BBGD CNC(=S)N(C)NC(=O)c1cocn1 1328415908 FFFWIXGYELNJDW-UHFFFAOYSA-N 214.250 -0.245 50 20 BBGD CCOc1cc(C(=O)NNc2nc[nH]n2)[nH]n1 1329654505 NODWYDJJIHPAHG-UHFFFAOYSA-N 237.223 -0.317 50 20 BBGD CC(C)C(=O)NNC(=O)Cc1cnc[nH]1 1332379083 KDLMQIPUODGKCH-UHFFFAOYSA-N 210.237 -0.244 50 20 BBGD C[C@H]1COCC1=NNC(=O)[C@@H]1CCC(=O)N1 1333199513 IXOCRPPCUULLIV-BQBZGAKWSA-N 225.248 -0.597 50 20 BBGD C=CCNC(=S)NNC(=O)c1cnco1 1344523810 LXSYBGMIKLDXGG-UHFFFAOYSA-N 226.261 -0.031 50 20 BBGD CC(=O)NNC(=O)[C@]1(C(=O)O)C[C@H]1C 1573353262 VRSZQGFEBNODHQ-VHWMUFPASA-N 200.194 -0.736 50 20 BBGD O=C(O)CCCC=NNC(=O)C(=O)NC1CC1 1595031877 ZZZPVCSSTLNLPP-UHFFFAOYSA-N 241.247 -0.378 50 20 BBGD O=C(NC[C@@H]1CCCS1)NNC(=O)C(=O)O 1601483838 HUMSLFARVUFXKQ-YFKPBYRVSA-N 247.276 -0.703 50 20 BBGD O=C(O)CCNS(=O)(=O)CBr 127371776 YOXYLCFLUHHMGU-UHFFFAOYSA-N 246.082 -0.267 50 20 BBGD COCCC(=O)NNC(=O)c1ccc[nH]1 171355615 IMRNVDSBXSWOHG-UHFFFAOYSA-N 211.221 -0.188 50 20 BBGD NNC(=O)c1ccc(=O)n(-c2ccc(F)cc2)n1 192811586 MPBFBJZTAKVINH-UHFFFAOYSA-N 248.217 -0.025 50 20 BBGD C[C@@H]1C[C@@]1(C#N)C(=O)Nc1cccc(B(O)O)c1 584911840 NPMXCONVGQJAIN-PELKAZGASA-N 244.059 -0.145 50 20 BBGD C[C@H](CO)[C@H](C)NCc1ccc(B(O)O)o1 585025562 XLKYUCMIGXRYNQ-SFYZADRCSA-N 227.069 -0.934 50 20 BBGD O=C(O)C1(C(=O)N2CC[C@H](B(O)O)C2)CCC1 585067800 VKKBJTHUYJHYQF-ZETCQYMHSA-N 241.052 -0.683 50 20 BBGD O=C(NNC(=O)[C@@H]1C[C@@H]1C(=O)O)C1CCC1 739453361 GFSSSKLLRONSPL-RQJHMYQMSA-N 226.232 -0.345 50 20 BBGD CCCN(C)CC(=O)NNC(=O)N(C)C 741209220 IBGGXUPGGWDAGW-UHFFFAOYSA-N 216.285 -0.369 50 20 BBGD CCOc1nc(C(=O)NNC(=O)NC)co1 753803128 RCXRTCTYJUKLRD-UHFFFAOYSA-N 228.208 -0.353 50 20 BBGD CN(C)CC(=O)NNC(=O)Nc1cccnn1 775668158 MMZINVWXPZODDH-UHFFFAOYSA-N 238.251 -0.809 50 20 BBGD COCCCCC(=O)NNC(=O)C(C)(C)O 787947295 NHXBGCNNALYLBM-UHFFFAOYSA-N 232.280 -0.279 50 20 BBGD COCC(=O)NN=C1C(=O)OC[C@@H]1C 794918550 IZVHNVVKPVZNSV-YFKPBYRVSA-N 200.194 -0.702 50 20 BBGD CCOCC1(C(=O)NN(C)C(N)=O)CC1 799715799 UONZBSIWKDWGQH-UHFFFAOYSA-N 215.253 -0.155 50 20 BBGD CCN(CCO)NC(=O)[C@H]1C[C@]12CCOC2 823873516 CEGBWSVLLWCCNY-KOLCDFICSA-N 228.292 -0.242 50 20 BBGD COc1ccc(C(=O)NN(C)[C@H](C)CO)nn1 823953092 YDNUOPJNIDHCND-SSDOTTSWSA-N 240.263 -0.557 50 20 BBGD CC(C)OCC(=O)NNC(=O)[C@@H]1CCO[C@H]1C 843645704 GQDBJEPFJSVUBM-DTWKUNHWSA-N 244.291 -0.016 50 20 BBGD COCCN(C)NC(=O)C1CCN(C)CC1 848377874 VOVGEVUYDOYWOB-UHFFFAOYSA-N 229.324 -0.062 50 20 BBGD CCNC(=O)NNC(=O)C1CC(OC)C1 858781557 FCIUOHBNESCBNU-UHFFFAOYSA-N 215.253 -0.238 50 20 BBGD C[C@@H]1C[C@@H]1C=NNC(=O)CS(C)(=O)=O 863187332 HSTPLVPZPSOGJO-RNFRBKRXSA-N 218.278 -0.211 50 20 BBGD COC(=O)N(C)NC(=O)NCCC#N 875540000 JDCXWLWBMANDLK-UHFFFAOYSA-N 200.198 -0.188 50 20 BBGD CC(=O)OC(C)(C)C(=O)NNc1cnnn1C 1117723191 ARJMVUDGJNNNRB-UHFFFAOYSA-N 241.251 -0.400 50 20 BBGD CC(C)NC(=S)NNC(=O)[C@@H](O)C1CC1 1118544637 CPFBFHHYSSMNHX-ZETCQYMHSA-N 231.321 -0.339 50 20 BBGD O=C([C@H]1CCCO1)N1CC[C@@H](B(O)O)C1 1118916146 LFEIIJZKMJEIEW-HTQZYQBOSA-N 213.042 -0.759 50 20 BBGD CCCNC(=O)NNC(=O)CO[C@H]1CCOC1 1319064104 CRHSYKPJQVQSSV-QMMMGPOBSA-N 245.279 -0.468 50 20 BBGD CNC(=O)NNC(=O)[C@H]1CCC(=O)[C@@H](C)C1 1323198611 ZTDQQHIKDUATHU-BQBZGAKWSA-N 227.264 -0.048 50 20 BBGD CN(C)C(=O)NNC(=O)c1cncn1C 1326057468 BNIBOTXVLGOWCF-UHFFFAOYSA-N 211.225 -0.664 50 20 BBGD CNC(=S)N(C)NC(=O)c1cnco1 1330862680 NGQKMANRDIIRRS-UHFFFAOYSA-N 214.250 -0.245 50 20 BBGD C[C@@H](O)CN(C)NC(=O)CCCCC(=O)O 1589151760 BMVVMYBENCBQOP-MRVPVSSYSA-N 232.280 -0.025 50 20 BBGD CCC(=O)NNC(=O)[C@H](C)N1CCC(O)CC1 110105074 VUGVGIQCRSSTLU-QMMMGPOBSA-N 243.307 -0.611 50 20 BBGD COCCCN(C)CC(=O)NNC(=O)C1CC1 112977838 WSGSCVJPKGIVTM-UHFFFAOYSA-N 243.307 -0.488 50 20 BBGD CCC(C)(C)N[C@H](C)C(=O)NNC(=O)CO 309975083 SCVXYMNDHVUZEX-SSDOTTSWSA-N 231.296 -0.707 50 20 BBGD COC(=O)NNC(=O)CC[C@]1(C)CCC(=O)N1 495407508 KSNYVVCFHPHDSM-JTQLQIEISA-N 243.263 -0.178 50 20 BBGD OB(O)c1ccc(CNC[C@@H]2CCOC2)cc1 585018131 QOCYORAHFKCZJQ-NSHDSACASA-N 235.092 -0.508 50 20 BBGD Cn1ccc(CNCc2ccc(B(O)O)o2)c1 585025894 GFGIBMVUNOGKSE-UHFFFAOYSA-N 234.064 -0.412 50 20 BBGD OC[C@H](CC1CC1)NCc1ccc(B(O)O)o1 585030652 WUHFOEGKNBDQQD-VIFPVBQESA-N 239.080 -0.790 50 20 BBGD OB(O)c1ccc(CN[C@H]2C[C@@H]2C(F)F)o1 585040525 MKEYLJNHHWHTOW-BQBZGAKWSA-N 231.007 -0.297 50 20 BBGD OC[C@H](CNCc1cccc(B(O)O)c1)C1CC1 585041019 MANRKJMXBNQLJY-LBPRGKRZSA-N 249.119 -0.526 50 20 BBGD CN(CC(=O)NNC(=O)CO)c1ccccc1 753445974 XBPARIPWNXNZNS-UHFFFAOYSA-N 237.259 -0.738 50 20 BBGD COC[C@](C)(O)C(=O)NNC(=O)C(C)C 754972745 CCZYKWQUTXGTBK-VIFPVBQESA-N 218.253 -0.813 50 20 BBGD COC[C@H](C)CC(=O)NN(C)C(N)=O 778417503 VDGZEOXSOHVOKJ-ZCFIWIBFSA-N 203.242 -0.299 50 20 BBGD CNC(=O)NNC(=O)CC[C@@H](C)OC 782588151 PUXSTJIJTVFVLF-ZCFIWIBFSA-N 203.242 -0.238 50 20 BBGD CC(C)n1cc(C=NNC(=O)CO)nn1 807979481 AHYXGKTXAJNRHR-UHFFFAOYSA-N 211.225 -0.699 50 20 BBGD COC[C@H](C)[C@H](C)C(=O)NNC(=O)CO 812543465 HMICMKQOXRRXRY-BQBZGAKWSA-N 218.253 -0.955 50 20 BBGD O=C(Cc1cc[nH]n1)NN=C1COCCOC1 814955949 FCAQGUWNHFKURO-UHFFFAOYSA-N 238.247 -0.529 50 20 BBGD C[C@H](CO)N(C)NC(=O)c1cc2ncccn2n1 823922130 HRHCTDZDUPQWAL-MRVPVSSYSA-N 249.274 -0.313 50 20 BBGD CC(C)[C@H](F)C(=O)NNC(=O)c1ncon1 832825740 FZIRSHNNDYZXQJ-YFKPBYRVSA-N 230.199 -0.175 50 20 BBGD CN(NC(=O)[C@@H]1CCCS(=O)(=O)C1)C1CC1 846267712 BKQBJYVCTZFUKT-MRVPVSSYSA-N 246.332 -0.063 50 20 BBGD CO[C@@H](C)CCC(=O)NNC(=O)c1cc[nH]n1 855355877 BJTIMYABABWKSH-ZETCQYMHSA-N 240.263 -0.014 50 20 BBGD CC(C)(F)C(=O)NNC(=O)c1cc[nH]n1 855357557 LMVSZEOSOSKLSJ-UHFFFAOYSA-N 214.200 -0.081 50 20 BBGD CCCCC(=O)NNC(=O)[C@@H]1CCC(=O)N1 862451259 LAVWRSVCAMYBEP-ZETCQYMHSA-N 227.264 -0.397 50 20 BBGD O=C(c1ccc(B(O)O)cc1)N1C[C@H]2C[C@H]2C1 863887674 RFXJEFFBNOLEME-AOOOYVTPSA-N 231.060 -0.542 50 20 BBGD C[C@@H]1COCC1=NNC(=O)c1ncon1 901287150 PHOXKTIKXDFEHH-RXMQYKEDSA-N 210.193 -0.178 50 20 BBGD C=CC(=O)N(CC)CC(=O)NN=c1cc[nH]cc1 907256018 CMTNADGZSVCRKS-UHFFFAOYSA-N 248.286 -0.019 50 20 BBGD CCCNC(=O)NNC(=O)[C@H]1CC(=O)N(C)C1 921039242 LNQICVRSWJZQLX-ZETCQYMHSA-N 242.279 -0.795 50 20 BBGD Cc1n[nH]c(C)c1CC(=O)NNc1cnnn1C 1261773060 RMGIPJJOEZELGR-UHFFFAOYSA-N 249.278 -0.159 50 20 BBGD Cc1nnc(CC(=O)NN(C)C[C@@H](C)O)s1 1262178175 SFUOIKRHARGUEY-ZCFIWIBFSA-N 244.320 -0.267 50 20 BBGD COCCN(C)NC(=O)c1c(CO)noc1C 1332908039 WJVIMQGKQXMFJJ-UHFFFAOYSA-N 243.263 -0.302 50 20 BBGD CCOC(=O)NNC(=O)CN1CCSC1=O 21772064 KLWVFWALUKEIHR-UHFFFAOYSA-N 247.276 -0.068 50 20 BBGD CC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 23080808 GXYIPHYCFRLWMC-JTQLQIEISA-N 236.227 -0.006 50 20 BBGD CCNC(=O)NNC(=O)c1csnn1 49164864 NXWWNNWARNKGMS-UHFFFAOYSA-N 215.238 -0.498 50 20 BBGD O=C(NNC(=O)[C@@H]1CCOC1)c1ccncc1 195330261 CSSWYUPSNDSZIS-SECBINFHSA-N 235.243 -0.121 50 20 BBGD CCO[C@@H](C)C(=O)NNC(=O)N(C)C 299347481 FXKNYGXNUQZJPW-LURJTMIESA-N 203.242 -0.286 50 20 BBGD C[C@@H]1[C@H](NC(=O)CCl)CCS1(=O)=O 307760989 XSRRCXMPGMFPCW-PHDIDXHHSA-N 225.697 -0.083 50 20 BBGD CC[C@@H](COC)NCc1ccc(B(O)O)o1 585025545 WSIQMNILIHKNGF-QMMMGPOBSA-N 227.069 -0.526 50 20 BBGD CC(C)=CC(=O)NNC(=O)C(=O)NC(C)C 726612326 BIRIRNGBEKNDNJ-UHFFFAOYSA-N 227.264 -0.375 50 20 BBGD C[C@H](C(=O)NNC(=O)CO)C(C)(C)C 753452995 VQWFVVCKESTYAS-ZCFIWIBFSA-N 202.254 -0.192 50 20 BBGD Cn1cnc(C(=O)NNC(=O)c2ccccn2)c1 771826667 NYMRXIJPNCYSSZ-UHFFFAOYSA-N 245.242 -0.110 50 20 BBGD CN(NC(=O)[C@@H](NC(N)=O)C(C)(C)C)C(N)=O 774090461 HKAGUOZXXYFWMD-RXMQYKEDSA-N 245.283 -0.889 50 20 BBGD C[C@H](O)C(=O)NNc1ncncc1F 817067358 KHDHRSXBJMGJIK-BYPYZUCNSA-N 200.173 -0.560 50 20 BBGD COCCN(C)NC(=O)c1ccc2nncn2c1 848377727 RQWRAAXFRHYACR-UHFFFAOYSA-N 249.274 -0.048 50 20 BBGD O=C(NNC(=O)[C@@H]1CCSC1)c1cc[nH]n1 855358043 YWFNUQYYTRMYJG-ZCFIWIBFSA-N 240.288 -0.076 50 20 BBGD COc1cccc(C(=O)NNC(=O)CO)c1C 857168627 AGBOTVKVKIOLHJ-UHFFFAOYSA-N 238.243 -0.243 50 20 BBGD Cn1cc([C@H](O)C(=O)NNc2ccccn2)cn1 857481427 ACRZMJIFWSBXSA-JTQLQIEISA-N 247.258 -0.008 50 20 BBGD CCC[C@H](OC)C(=O)NNC(=O)c1cn[nH]c1 862469923 VUBLQIWZVOZHRG-QMMMGPOBSA-N 240.263 -0.014 50 20 BBGD CNC(=O)NNC(=O)[C@@H]1CCCCN(C)C1=O 874170406 VERXZYYTMGDJFN-ZETCQYMHSA-N 242.279 -0.795 50 20 BBGD OB(O)c1ccccc1CNC1CSC1 877634395 OKFSTRLMFNIUJV-UHFFFAOYSA-N 223.106 -0.429 50 20 BBGD C[C@H](O)CN(C)NC(=O)c1ccc(C=O)[nH]1 910164084 RYEZWLYOXPLNDM-ZETCQYMHSA-N 225.248 -0.215 50 20 BBGD COC(=O)C(=O)NN=Cc1ccncc1 1116191036 CUIZVSZIPAVHJN-UHFFFAOYSA-N 207.189 -0.295 50 20 BBGD CNS(=O)(=O)CC(=O)N1CC=C(C#N)CC1 1323237559 FQYPXFGGRFKHMC-UHFFFAOYSA-N 243.288 -0.782 50 20 BBGD COCc1nsc(N2CC[C@@H](B(O)O)C2)n1 1329215885 QZEIRPCPNIAIIP-ZCFIWIBFSA-N 243.097 -0.262 50 20 BBGD Cn1cncc1CN1CC[C@H](B(O)O)C1 1348489974 IYXRQQQQOMTCNF-QMMMGPOBSA-N 209.058 -0.531 50 20 BBGD NC[C@H](O)CC(=O)NNC(=O)C1CCCC1 1580231931 MREBIGSPMPYTRA-MRVPVSSYSA-N 229.280 -0.966 50 20 BBGD O=C(O)[C@@H]1CCN1S(=O)(=O)CCl 1601843862 XKGKNJHDOJFKLW-BYPYZUCNSA-N 213.642 -0.329 50 20 BBGD O=C(NNC(=O)c1ccoc1)C(=O)NC1CC1 48388746 YSRYAEZHUNYGTE-UHFFFAOYSA-N 237.215 -0.681 50 20 BBGD CN1CCN([C@H](C(=O)NN)c2ccccc2)CC1 110569204 RMFWYARVFVEUIZ-LBPRGKRZSA-N 248.330 -0.035 50 20 BBGD CNS(=O)(=O)c1ccc(C)c(C(=O)NN)c1 192564063 QSTBRCNETUNUFB-UHFFFAOYSA-N 243.288 -0.493 50 20 BBGD COC(=O)NN=Cc1cn(CC(=O)O)nn1 309667129 IIQMLOMQCPQSSJ-UHFFFAOYSA-N 227.180 -0.947 50 20 BBGD NC(=O)C(=O)NN=C1CCC(C(=O)O)CC1 393909722 AWNBWJDYUMEXQK-UHFFFAOYSA-N 227.220 -0.781 50 20 BBGD COCCC(=NNC(=O)C(N)=O)C(C)C 756819577 IEKOJHWOJPEYQK-UHFFFAOYSA-N 215.253 -0.364 50 20 BBGD CCN(CCO)NC(=O)c1cc(C)nn1C 823852923 SRJHUYAWOLXUIJ-UHFFFAOYSA-N 226.280 -0.312 50 20 BBGD CCOC(=O)[C@@H](CC)C(=O)NN(C)[C@H](C)CO 823917844 OSFNVNDDWPUMMI-BDAKNGLRSA-N 246.307 -0.081 50 20 BBGD O=C(O)NCC(=O)NN=c1cc[nH]cc1 833777212 HVPPWWFAQGJJBX-UHFFFAOYSA-N 210.193 -0.786 50 20 BBGD COCCN(C)NC(=O)[C@H](CC(C)C)C(N)=O 840452933 LIVFJOKTMHGCQN-SECBINFHSA-N 245.323 -0.257 50 20 BBGD CNC(=S)N(C)NC(=O)C#CC1CC1 854928033 UXRYIERQKMXNDY-UHFFFAOYSA-N 211.290 -0.133 50 20 BBGD CC(Cn1cccn1)=NNC(=O)[C@@H]1CCC(=O)N1 863149927 JADJLBNWMVXJIW-VIFPVBQESA-N 249.274 -0.346 50 20 BBGD CON=CC(=O)NNC(=O)c1c[nH]nc1C 1324403440 KCJLGZNCOLWDIG-UHFFFAOYSA-N 225.208 -0.889 50 20 BBGD CC[C@]1(C(=O)NNC(C)=O)CCNC1=O 1329232107 PHJJIVFDHCRLOD-VIFPVBQESA-N 213.237 -0.930 50 20 BBGD O=C(NNC(=O)[C@@]1(F)CCOC1)c1cc[nH]n1 1329371619 VKBIVQWDIVLTOP-SECBINFHSA-N 242.210 -0.701 50 20 BBGD CCNC(=S)NNC(=O)C1CCOCC1 1339357959 NUHVHQKZAXDGNC-UHFFFAOYSA-N 231.321 -0.072 50 20 BBGD CO[C@@H](C)CCC(=O)N1CC[C@H](B(O)O)C1 1348490876 WCUKSWQUQCFADI-IUCAKERBSA-N 229.085 -0.123 50 20 BBGD C[C@@H](CO)N(C)NC(=O)c1ccnc(N)c1 1576038746 WYTVZSIQUNUQLE-ZETCQYMHSA-N 224.264 -0.379 50 20 BBGD CN(CC(=O)O)S(=O)(=O)CCl 1598417846 KLWWJAYSBBYKNN-UHFFFAOYSA-N 201.631 -0.471 50 20 BBGD CCn1cc(C=NNC(=O)C(=O)O)cn1 1605918352 METXGASYBILGAJ-UHFFFAOYSA-N 210.193 -0.562 50 20 BBGD CN(C)CC(=O)NNc1nc2ccccn2n1 191922450 PNKFDWFDVFKJAK-UHFFFAOYSA-N 234.263 -0.266 50 20 BBGD COc1ccnc(NNC(=O)C2(C)COC2)n1 272839376 OFOIZGNBRBVWEG-UHFFFAOYSA-N 238.247 -0.035 50 20 BBGD COC(=O)NNC(=O)C(=O)OC(C)(C)C 274075145 LURXSRLTALSRLC-UHFFFAOYSA-N 218.209 -0.285 50 20 BBGD CC(C)[C@@H](O)C(=O)NNc1cccnn1 286084998 NLLJEKRHIGMSRE-MRVPVSSYSA-N 210.237 -0.063 50 20 BBGD COC(=O)N(C)NC(=O)[C@H](O)CCSC 286266343 HWBGILHBIJEYGY-ZCFIWIBFSA-N 236.293 -0.170 50 20 BBGD C[C@H]1CC(=NNC(=O)CO)CC[C@@H]1C(=O)O 382039788 XDPZKADPPZQKCY-XPUUQOCRSA-N 228.248 -0.028 50 20 BBGD CCO/C=C(/C#N)C(=O)NCCc1nc[nH]n1 491164271 ZYBWYZCHJBAYHO-VURMDHGXSA-N 235.247 -0.093 50 20 BBGD CO[C@@H](C)CNCc1ccccc1B(O)O 585036560 IQHSSUHLSWHYOU-VIFPVBQESA-N 223.081 -0.509 50 20 BBGD CCNC(=O)N(C)NC(=O)[C@H](C)N(C)C 768411344 YOJVLMDSWMPSRY-ZETCQYMHSA-N 216.285 -0.371 50 20 BBGD COCCCOCC(=O)NNC(=O)N(C)C 775681215 BPXGVPAWPRDHKH-UHFFFAOYSA-N 233.268 -0.658 50 20 BBGD CC[C@@H](CO)C(=O)NNc1cccnn1 779838817 FDTQSLQVDGHYDO-ZETCQYMHSA-N 210.237 -0.062 50 20 BBGD CC(=O)NNC(=O)[C@H](NC(N)=O)C(C)(C)C 800321474 SJADVHSCVKLZNM-LURJTMIESA-N 230.268 -0.763 50 20 BBGD C[C@@H]1C[C@@H](C)[C@H](C(=O)NNC(=O)CN(C)C)O1 800690417 ULNCCQLZUFHCJS-NQMVMOMDSA-N 243.307 -0.491 50 20 BBGD CNC(=O)NNC(=O)C[C@H](C)n1cccn1 819154721 LAYBOHSEZVYLGX-ZETCQYMHSA-N 225.252 -0.206 50 20 BBGD CC[C@@](C)(O)C(=O)NN(C)C(=S)NC 822547523 NJHFYJVAJACOBH-MRVPVSSYSA-N 219.310 -0.385 50 20 BBGD CCN(CCO)NC(=O)c1ccnn1C 823853099 ZSHWYDIRLNLMEY-UHFFFAOYSA-N 212.253 -0.621 50 20 BBGD Cc1c(CC(=O)NN(C)[C@H](C)CO)cnn1C 823923021 OSJMCXHRKCEILG-MRVPVSSYSA-N 240.307 -0.385 50 20 BBGD N#CC(C#N)=CNc1n[nH]c(C(=O)O)n1 833063328 IGLXRSTZHDMWRO-UHFFFAOYSA-N 204.149 -0.154 50 20 BBGD CC#CC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 843973572 YSBDVWMQHXQTGV-HTQZYQBOSA-N 210.233 -0.418 50 20 BBGD CCO/C=C(/C#N)C(=O)N1C[C@H]2C[C@H]1C(=O)O2 861869549 MJBIQGVCOBJZNP-WVXMWNJGSA-N 236.227 -0.043 50 20 BBGD CCCNC(=O)NNC(=O)[C@H]1[C@H]2C(=O)CC[C@H]21 906426704 SQCFIDPJVLCYMK-FTLITQJKSA-N 239.275 -0.048 50 20 BBGD CN(C)C(=O)NNC(=O)[C@@H]1[C@H]2CCC(=O)[C@H]21 906451587 VRTKHOJXXZPAHM-APQOSEDMSA-N 225.248 -0.486 50 20 BBGD CC(C)C(=O)NNC(=O)[C@H]1CCOC1 921203139 SIXJJJLTZGSESU-ZETCQYMHSA-N 200.238 -0.174 50 20 BBGD COCCN(C)NC(=O)c1ccnc(OC)n1 935910127 BIMHNGLCDFNJNO-UHFFFAOYSA-N 240.263 -0.292 50 20 BBGD CNC(=O)NNC(=O)c1cnn(CCOC)c1 1118982831 UOGCZABTSFWNQS-UHFFFAOYSA-N 241.251 -0.897 50 20 BBGD CC(C)(O)C(=O)NNC(=O)C1CCOCC1 1255593181 AROAZEDWVBZBLJ-UHFFFAOYSA-N 230.264 -0.669 50 20 BBGD CN(C)C(=O)NNC(=O)CCc1ccn(C)n1 1326211023 GAMDQAMOQWEIMV-UHFFFAOYSA-N 239.279 -0.345 50 20 BBGD Cn1cc([C@@H](O)C(=O)NNc2cccnn2)cn1 1329617762 QSWWAFZZVNIOMO-SECBINFHSA-N 248.246 -0.613 50 20 BBGD C[C@H](O)CN(C)NC(=O)CNC1CC1 1574073748 KGXCVKDKOQGBTD-ZETCQYMHSA-N 201.270 -0.918 50 20 BBGD CNC(=S)N(C)NC(=O)[C@H](C)C(=O)O 1593797434 HQYSXXDCGNOCOK-BYPYZUCNSA-N 219.266 -0.826 50 20 BBGD C[C@H]1CCC[C@H]1NC(=O)NNC(=O)C(=O)O 1594360449 VJKISPJGLLRIFK-NTSWFWBYSA-N 229.236 -0.410 50 20 BBGD CCN(CCO)NC(=O)[C@H]1CC[C@@H](C(=O)O)C1 1596341052 XFLFQBUZOJWSPE-DTWKUNHWSA-N 244.291 -0.167 50 20 BBGD O=C(O)[C@@H](CCF)NS(=O)(=O)CCl 1601644629 IZBSNLUKWADQEO-SCSAIBSYSA-N 233.648 -0.085 50 20 BBGD O=C1C[C@H](C(=O)NNc2cccc(C(=O)O)c2)N1 1602630871 FYRSZRZGRWWOSI-MRVPVSSYSA-N 249.226 -0.284 50 20 BBGD C[C@@H](CC(=O)O)CC(=O)NNc1cnnn1C 1604106741 PJMPHCBKGFYDQR-ZCFIWIBFSA-N 241.251 -0.241 50 20 BBGD CC(=O)N[C@@H](C(=O)NNC(=O)C(C)C)C(C)C 23979802 INNJBZFELWJVBW-SECBINFHSA-N 243.307 -0.050 50 20 BBGD C[C@H](O)CNS(=O)(=O)CCCCl 40810010 SPJNZRLJYKUZQM-LURJTMIESA-N 215.702 -0.085 50 20 BBGD CNC(=O)NNC(=O)[C@@H]1Cc2ccccc2O1 48949715 QFKDKNNLVNYSGC-VIFPVBQESA-N 235.243 -0.050 50 20 BBGD COC(=O)NCC(=O)NNC(=O)NCC1CC1 49166321 LHIFGHYNRODHKC-UHFFFAOYSA-N 244.251 -0.917 50 20 BBGD O=C(CN1CCC[C@@H](O)C1)NNC(=O)C1CC1 112975545 CTUIHEKUVOKDLH-SECBINFHSA-N 241.291 -1.000 50 20 BBGD Cc1ccc(C(=O)NNC(=O)CN(C)C)o1 113425736 FPRXDRACOUGCET-UHFFFAOYSA-N 225.248 -0.089 50 20 BBGD CC(=O)NNC(=O)c1ccnc(N(C)C)c1 123608807 LIAUKUIVSHXOER-UHFFFAOYSA-N 222.248 -0.072 50 20 BBGD CCOCC(=O)NNc1ncnc2nc[nH]c12 127096562 AKEQRUDCCVGIGV-UHFFFAOYSA-N 236.235 -0.168 50 20 BBGD COc1cccc(NNC(=O)c2c[nH]nn2)n1 180722607 SMGZNKAUWILQCI-UHFFFAOYSA-N 234.219 -0.035 50 20 BBGD CSC1(C=NNC(=O)C(N)=O)CC1 388285003 PQWXYYLUJOJYKS-UHFFFAOYSA-N 201.251 -0.531 50 20 BBGD OB(O)c1ccc(CNC2CCCC2)o1 585014546 VGSGDSUDHJRGBE-UHFFFAOYSA-N 209.054 -0.008 50 20 BBGD C[C@@H]1CCCC[C@@H]1OCC(=O)NCB(O)O 585060068 LWXSBWYDMWNICC-BDAKNGLRSA-N 229.085 -0.290 50 20 BBGD O=C(NCB(O)O)c1cncn1-c1ccccc1 585060499 RZBZJLIFECAVID-UHFFFAOYSA-N 245.047 -0.386 50 20 BBGD CC(=O)NCCNC(=O)NNC(=O)C1CCC1 732439334 IYIPOLSIOZXLTG-UHFFFAOYSA-N 242.279 -0.747 50 20 BBGD CCCNC(=O)NNC(=O)[C@H](C)N(C)C 750611144 XSOOPICDCBGEOZ-ZETCQYMHSA-N 216.285 -0.323 50 20 BBGD Cn1cc(C(=O)NNC(=O)C2(O)CCC2)cn1 773061220 FECHCOIAJOWYPB-UHFFFAOYSA-N 238.247 -0.904 50 20 BBGD CCNC(=O)CCC(=O)NNc1cnccn1 775281597 WVJJMCVAQVNLKG-UHFFFAOYSA-N 237.263 -0.164 50 20 BBGD CCCS(=O)(=O)NN(C)C(=O)NCC 782478247 LSMNRVJHMWFPBH-UHFFFAOYSA-N 223.298 -0.108 50 20 BBGD CC(=O)C1(C(=O)NNC(=O)C2CC2)CC1 814714385 DPKSCNJBIJAWOH-UHFFFAOYSA-N 210.233 -0.087 50 20 BBGD CCN(CCO)NC(=O)CCOCCOC 823852896 RSXFFJSZGFIKGU-UHFFFAOYSA-N 234.296 -0.615 50 20 BBGD C[C@@H]1OCC[C@@H]1C(=O)NN=C1COCCOC1 842549166 HQGNHTCVSFPJFG-WPRPVWTQSA-N 242.275 -0.070 50 20 BBGD O=C(NNC(=O)C1CC1)c1ccnc2ccnn12 858122079 PMIJSADSTPFHEF-UHFFFAOYSA-N 245.242 -0.100 50 20 BBGD C[C@@H]1CC(=NNC(=O)CS(C)(=O)=O)[C@@H](C)O1 863185964 JHLIHFIRIDFSON-RNFRBKRXSA-N 248.304 -0.300 50 20 BBGD C/C=C/C=C\C(=O)NNC(=O)COCCOC 869913797 MEHSOCQMSPSNRP-ICWBMWKASA-N 242.275 -0.071 50 20 BBGD O=C1CC[C@H](C(=O)NN=Cc2cnsc2)N1 872392537 ODOVTKZIBJFWLI-SSDOTTSWSA-N 238.272 -0.128 50 20 BBGD CCOCCNC(=O)NN(C)C(=O)OC 875051370 CSSLZHPNBRRVAW-UHFFFAOYSA-N 219.241 -0.065 50 20 BBGD CC1=NO[C@H](C(=O)NN(C)C[C@@H](C)O)C1 910145136 QDSDWKHKKYEIOC-SFYZADRCSA-N 215.253 -0.505 50 20 BBGD COC(=O)C[C@@H](C)CC(=O)NN(C)C[C@@H](C)O 910148054 QKSINAJYHJUBJV-DTWKUNHWSA-N 246.307 -0.081 50 20 BBGD CCC(=O)NNC(=O)[C@H](C)N[C@H]1COC[C@@H]1C 932486453 DMPCGCWVPWJLDU-CIUDSAMLSA-N 243.307 -0.443 50 20 BBGD C[C@H](CO)N(C)NC(=O)CO[C@H]1CCOC1 1119104803 MHLQPGGYPWZTDW-BDAKNGLRSA-N 232.280 -0.864 50 20 BBGD Cc1nccc(C(=O)N2CC[C@@H](B(O)O)C2)n1 1261844598 UUTPVTJCCXCBJR-MRVPVSSYSA-N 235.052 -0.526 50 20 BBGD CCCC[C@@H](NNC(=O)C(=O)OC)C(=O)OC 1320325577 PFVOBBAQMKVROT-SSDOTTSWSA-N 246.263 -0.488 50 20 BBGD O=C(c1ccon1)N1CC[C@H](B(O)O)C1 1329670722 DIEJICNGJOZSDS-LURJTMIESA-N 209.998 -0.637 50 20 BBGD O=C(NNC(=O)c1cn[nH]c1)NOCC(F)F 1329745161 IDTWDVDEVRSXRU-UHFFFAOYSA-N 249.177 -0.450 50 20 BBGD CCCC[C@@H](N)C(=O)NNC(=O)c1cc[nH]n1 1577410535 MOPCJNRJKFGWEY-SSDOTTSWSA-N 239.279 -0.312 50 20 BBGD C=CC[C@@H](NNC(=O)c1cccnn1)C(=O)O 1588749720 PTKDNZSFGCKXPW-MRVPVSSYSA-N 236.231 -0.260 50 20 BBGD CCN(CCO)NC(=O)[C@@H]1CC[C@H]1C(=O)O 1589734321 XLWIVSMFGPBHDI-HTQZYQBOSA-N 230.264 -0.557 50 20 BBGD O=C(O)[C@H]1CCN1S(=O)(=O)CCl 1601843863 XKGKNJHDOJFKLW-SCSAIBSYSA-N 213.642 -0.329 50 20 BBGD CC(=O)NNC(=O)Nc1ccc(C(N)=O)cc1 42903985 XAENSMCIKFIYGG-UHFFFAOYSA-N 236.231 -0.042 50 20 BBGD CCO/C=C(/C#N)C(=O)NCC[C@H](O)COC 490937518 DAOYWCZTBGYLAY-RNKPRXRFSA-N 242.275 -0.056 50 20 BBGD COC(=O)N(C)NC(=O)[C@H]1CCCC(=O)N1 495693409 NSVNBBGJUBKFJF-ZCFIWIBFSA-N 229.236 -0.616 50 20 BBGD COC(=O)NNS(=O)(=O)c1ccc(C#N)o1 496784950 LFFAAAQPNQHCAA-UHFFFAOYSA-N 245.216 -0.299 50 20 BBGD CCCN(C)C(=O)c1cccc(B(O)O)c1 584936096 FEZAKCXLBIXCKS-UHFFFAOYSA-N 221.065 -0.152 50 20 BBGD CC1(C)CCN1C(=O)c1ccc(B(O)O)cc1 584949232 LLVXGKJMQRPZMW-UHFFFAOYSA-N 233.076 -0.009 50 20 BBGD Cc1cc(CNCc2ccc(B(O)O)cc2)on1 585032825 NPIJRXXCQHRTOU-UHFFFAOYSA-N 246.075 -0.047 50 20 BBGD CC[C@@H]1CCO[C@@H]1C(=O)N1CC[C@H](B(O)O)C1 585068086 XWOCAHMDONSUOD-UTLUCORTSA-N 241.096 -0.123 50 20 BBGD CNC(=O)NNC(=O)CCn1cccc1 746159876 OXLMGIPGCKNVMY-UHFFFAOYSA-N 210.237 -0.162 50 20 BBGD O=C(CO)NNC(=O)[C@@H](F)c1ccccc1 769650389 IIYDSHZVRYELNO-VIFPVBQESA-N 226.207 -0.163 50 20 BBGD C[C@@H](CO)N(C)NC(=O)[C@]1(O)CCSC1 823939366 JUIOPXMNDZNSBZ-CBAPKCEASA-N 234.321 -0.802 50 20 BBGD CC[C@H](SC)C(=O)NNC(=O)c1ncon1 832825949 MRMMJEGLZPBBKZ-YFKPBYRVSA-N 244.276 -0.028 50 20 BBGD CC[C@H](C#N)C(=O)NNC(=O)C(=O)NC(C)C 845103957 XAEOYIVDUYLJHJ-SSDOTTSWSA-N 240.263 -0.792 50 20 BBGD CNC[C@H](C)NC(=O)NNC(=O)CC(C)C 851682115 UHHFOSAEEHDANP-QMMMGPOBSA-N 230.312 -0.029 50 20 BBGD COC[C@@H](C)CC(=O)NNC(=O)c1cc[nH]n1 855357885 SYFYIRZDQNKQFJ-ZETCQYMHSA-N 240.263 -0.157 50 20 BBGD CC(C)C=NNC(=O)CS(C)(=O)=O 863187885 SWMJXAWDOXMGGL-UHFFFAOYSA-N 206.267 -0.211 50 20 BBGD CN(NC(=O)c1cnc(O)n1C)C1CC1 868961702 AKEWPBLJMPZOQF-UHFFFAOYSA-N 210.237 -0.135 50 20 BBGD COC(=O)N(C)NC(=O)N[C@@H]1CC(=O)N(C)C1 875349589 CZPJYVBESAQURF-ZCFIWIBFSA-N 244.251 -0.871 50 20 BBGD CNC(=S)N(C)NC(=O)CCc1ncc[nH]1 1261745085 YGHLQDWSZZZBDC-UHFFFAOYSA-N 241.320 -0.190 50 20 BBGD Cc1cc(C(=O)NNc2nc[nH]n2)n(C)n1 1324553827 FRFIQRKKIFSKCS-UHFFFAOYSA-N 221.224 -0.396 50 20 BBGD CC(C)(C)C(=O)NNC(=O)Cc1nc[nH]n1 1329323920 VAKZZHKCFQFXNW-UHFFFAOYSA-N 225.252 -0.459 50 20 BBGD Cn1nncc1NNC(=O)CCCn1cccn1 1329575990 WWRBUGCREICRHX-UHFFFAOYSA-N 249.278 -0.065 50 20 BBGD CO[C@](C)(C(=O)O)C(=O)NNc1cccnn1 1593926583 KLQRDWYFMBBZJS-VIFPVBQESA-N 240.219 -0.591 50 20 BBGD NNC(=O)[C@H]1CCCN1c1ncccn1 37400300 KWPGTLUEKZIGOA-SSDOTTSWSA-N 207.237 -0.565 50 20 BBGD CCNC(=O)NNC(=O)c1cc(C)no1 49165579 DBLLPVTYVPCBQP-UHFFFAOYSA-N 212.209 -0.053 50 20 BBGD CN(C)CC(=O)NNC(=O)c1cc(Cl)c[nH]1 171355422 QNRRVCGPENYBPW-UHFFFAOYSA-N 244.682 -0.009 50 20 BBGD N#Cc1ccc(C(=O)NNC(=O)CO)cc1 180961504 JFCFVXCCQVAEQU-UHFFFAOYSA-N 219.200 -0.688 50 20 BBGD CC(C)CC(=O)NCCC(=O)NN(C)C(N)=O 182654454 QJRAVWNMYVBGCU-UHFFFAOYSA-N 244.295 -0.420 50 20 BBGD C[C@@H](CCCO)NCc1ccccc1B(O)O 585028465 KWQBRIZZRPMXKP-JTQLQIEISA-N 237.108 -0.383 50 20 BBGD COc1ccccc1CCC(=O)NCB(O)O 585058921 UBILJIBGIVZCQJ-UHFFFAOYSA-N 237.064 -0.244 50 20 BBGD COCC1(CC(=O)N2CC[C@H](B(O)O)C2)CC1 585063587 CSHLJTPBSKADJN-VIFPVBQESA-N 241.096 -0.122 50 20 BBGD CN(C)CC(=O)NNC(=O)CC1(C)CC1 760814745 BOZVBUZPXMJXHU-UHFFFAOYSA-N 213.281 -0.114 50 20 BBGD CN(C)CC(=O)NNC(=O)Nc1ccon1 775710081 ZEIOEGJTZULODM-UHFFFAOYSA-N 227.224 -0.611 50 20 BBGD CC(C)(CO)C(=O)NNC(=O)c1ccccn1 776312445 CFOGMKCISWOOMJ-UHFFFAOYSA-N 237.259 -0.139 50 20 BBGD O=C(CCn1ccnn1)NN=c1cc[nH]cc1 781019366 HQHAPXUDDYVZEA-UHFFFAOYSA-N 232.247 -0.372 50 20 BBGD CCCC[C@@H](C)C(=O)NNC(=O)CO 800695687 XXBWCLJNOBWVNI-SSDOTTSWSA-N 202.254 -0.048 50 20 BBGD C#C[C@@H](C)NC(=O)NNC(=O)[C@H]1CCCCO1 820401035 VABPGMKTHQMESU-RKDXNWHRSA-N 239.275 -0.092 50 20 BBGD CCN(CCO)NC(=O)c1cncc(O)c1 823879739 SDBMSOJAHPBZTI-UHFFFAOYSA-N 225.248 -0.254 50 20 BBGD Cc1nccn1CC(=O)NN(C)[C@@H](C)CO 823918001 PQOZPTHYMMWPMA-QMMMGPOBSA-N 226.280 -0.465 50 20 BBGD CN1C(=O)CC[C@@H]1CC(=O)NNc1cccnn1 832044633 QVCWBRKYXWMSGL-MRVPVSSYSA-N 249.274 -0.069 50 20 BBGD Cc1ccccc1C(=O)NNC(=O)[C@H]1CC(=O)N1 854247637 ZGSOSEPRZURVIJ-SECBINFHSA-N 247.254 -0.355 50 20 BBGD COC(=O)N(C)NC(=O)[C@@H]1CC(C)=NO1 854410088 SNJBTIQSAXNDAC-LURJTMIESA-N 215.209 -0.119 50 20 BBGD CNC(=O)NNC(=O)c1ncccc1N(C)C 900353463 VFOHHYXQSIAAHY-UHFFFAOYSA-N 237.263 -0.279 50 20 BBGD C=CC(=O)N(CC)CC(=O)NN(C)C(N)=O 901277695 JPNSEVFSFOQCSP-UHFFFAOYSA-N 228.252 -0.937 50 20 BBGD Cn1c(C(=O)NNc2cccnn2)cccc1=O 1116562980 SHLCOKRHHDNIPH-UHFFFAOYSA-N 245.242 -0.068 50 20 BBGD COC(=O)C(=O)NNC(=O)N[C@H]1CC=CCC1 1318942014 MGBQJADKMKNINP-ZETCQYMHSA-N 241.247 -0.402 50 20 BBGD C[C@H]1C[C@@H](C(=O)O)CCC1=NNC(=O)C(N)=O 1324914255 QUJUWINKPBOUGI-WDSKDSINSA-N 241.247 -0.535 50 20 BBGD O=C(c1cc[nH]n1)N1CC[C@@H](B(O)O)C1 1329294071 WWSDAFCXBUUPNA-ZCFIWIBFSA-N 209.014 -0.901 50 20 BBGD Cn1ncc2c1CCCC2=NNC(=O)C(N)=O 1337447436 ZIGHHMNHIZXESL-UHFFFAOYSA-N 235.247 -0.938 50 20 BBGD CCC[C@@H]1C[C@H]1NC(=O)NNC(=O)C(=O)OC 1349393154 ZFIVNCASWPLIMP-RNFRBKRXSA-N 243.263 -0.322 50 20 BBGD Cc1oc(C(=O)O)cc1C(=O)NNC(=O)CO 1600826609 ZBKRDGJFHHIXHN-UHFFFAOYSA-N 242.187 -0.960 50 20 BBGD CC(CCC(=O)O)=NNC(=O)[C@@H]1COCCO1 1609737576 BUXWUKZSFDHTCK-QMMMGPOBSA-N 244.247 -0.241 50 20 BBGD COC(=O)N[C@@H](C)C(=O)NNC(=O)NC(C)C 270492656 UHYPAUGWBBFWSM-LURJTMIESA-N 246.267 -0.530 50 20 BBGD O=C1CC(C(=O)NNC(=O)CC2CC2)C1 294201900 PLUWAOUPIIFPHK-UHFFFAOYSA-N 210.233 -0.087 50 20 BBGD CNC(=O)NNC(=O)CCOC(C)C 299146271 WLDUTTUBQIYGSU-UHFFFAOYSA-N 203.242 -0.238 50 20 BBGD C[C@@H]1C[C@H](NC(=O)c2cccc(B(O)O)c2)CO1 585004060 WWFGKYLMCVXGQC-KCJUWKMLSA-N 249.075 -0.726 50 20 BBGD OB(O)c1cccc(CN[C@H]2CC[C@H](O)CC2)c1 585032671 YBOQUJFEPHZGGM-JOCQHMNTSA-N 249.119 -0.241 50 20 BBGD O=C(NCB(O)O)c1ccc([N+](=O)[O-])cc1F 585060549 GIKCRERQJQTOLH-UHFFFAOYSA-N 241.971 -0.524 50 20 BBGD CCCN(C)CC(=O)N1CC[C@H](B(O)O)C1 585069208 JFUNPZBXSABZMK-VIFPVBQESA-N 228.101 -0.597 50 20 BBGD O=C(NNC(=O)N1CCOCC1)[C@@H]1CCOC1 746519035 BJUBCMJYEVNSTO-MRVPVSSYSA-N 243.263 -0.904 50 20 BBGD COCC(C)=NNC(=O)CN1CCCC1=O 750934263 CCGXHVYLMXGKCD-UHFFFAOYSA-N 227.264 -0.253 50 20 BBGD CC(=O)c1cccc(C(=O)NNC(=O)CO)c1 753445031 DFHJJVOFVBWJRQ-UHFFFAOYSA-N 236.227 -0.358 50 20 BBGD C=CCCOCC(=O)NNC(=O)OC 765842965 YBUTUFUFFHRQSF-UHFFFAOYSA-N 202.210 -0.034 50 20 BBGD CCc1c(C(=O)NN(C)C(N)=O)cnn1C 778415590 MCWURWCDFBNIAZ-UHFFFAOYSA-N 225.252 -0.362 50 20 BBGD CC(C)C(=O)NNC(=O)CC(C)(C)O 792017211 ZLDNZCJITLYMBV-UHFFFAOYSA-N 202.254 -0.049 50 20 BBGD Cc1oc(C#N)cc1C(=O)NNC(=O)CO 798114183 VUJRLGKZQOWDSJ-UHFFFAOYSA-N 223.188 -0.787 50 20 BBGD CNC(=S)N(C)NC(=O)CCCC(=O)OC 823553065 VBRQXBVZRFCIKH-UHFFFAOYSA-N 247.320 -0.203 50 20 BBGD CCN(CCO)NC(=O)Cn1ccc(C)n1 823889505 YYWHMNPXOHMASU-UHFFFAOYSA-N 226.280 -0.463 50 20 BBGD C[C@H](CO)N(C)NC(=O)/C=C/c1cnn(C)c1 823983519 VZMCBQYCGXRFQV-XNPJLODASA-N 238.291 -0.223 50 20 BBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NCCF 826693185 RYIDZTBICZAQHV-NKWVEPMBSA-N 233.243 -0.289 50 20 BBGD CC(Cn1cncn1)=NNC(=O)N(C)C 853296870 UZCLHSMQXATYBM-UHFFFAOYSA-N 210.241 -0.075 50 20 BBGD CC(C)(O)CCC(=O)NNC(=O)c1cc[nH]n1 855355767 AGVKCWZSCJFMLC-UHFFFAOYSA-N 240.263 -0.278 50 20 BBGD O=C(NNC(=O)c1cn[nH]c1)C1=CCCCO1 862472687 RAAHVKGCMDNVRF-UHFFFAOYSA-N 236.231 -0.135 50 20 BBGD CC(=NNC(=O)[C@@H]1CCC(=O)N1)c1ccn(C)n1 863151803 UNTVKRZQFYOEDP-VIFPVBQESA-N 249.274 -0.461 50 20 BBGD O=C(c1ccc(B(O)O)cc1)N1CCC[C@@H]2C[C@@H]21 863882000 DXRURCQMHREWJP-PWSUYJOCSA-N 245.087 -0.009 50 20 BBGD CCOC(=O)NCCC(=O)NN(C)C[C@@H](C)O 910170561 MJBDBSTVCJPLQM-MRVPVSSYSA-N 247.295 -0.534 50 20 BBGD CN(NC(=O)c1cn(C)nc1C1CC1)C(N)=O 1117669855 SIQXICSZRYWNKV-UHFFFAOYSA-N 237.263 -0.047 50 20 BBGD CCN(CCO)NC(=O)c1cnc2[nH]ncc2c1 1123810520 LTLSFTLWJMLZJL-UHFFFAOYSA-N 249.274 -0.083 50 20 BBGD CC(=NNC(=O)C(N)=O)c1cccc(CO)c1 1324243024 HGAUUSULIPLNNK-UHFFFAOYSA-N 235.243 -0.496 50 20 BBGD CC(C)C(=O)NNS(=O)(=O)c1ncc[nH]1 1327927031 VVNZOIFZTOIYGI-UHFFFAOYSA-N 232.265 -0.625 50 20 BBGD CCn1nccc1C=NNC(=O)C(=O)O 1610086601 PNCIMSZADHGPDS-UHFFFAOYSA-N 210.193 -0.562 50 20 BBGD CC(C)(C)[C@@]1(C(N)=O)C=C(B(O)O)C=NC1 232321483 HOIJINXRQOWZJY-JTQLQIEISA-N 224.069 -0.473 50 20 BBGD CN(NC(=O)[C@@H]1CCCS1)C(N)=O 272128453 BBPLNUVHQRSLJL-YFKPBYRVSA-N 203.267 -0.076 50 20 BBGD CCC[C@@H](C#N)NC(=O)c1ccc(B(O)O)cc1 584937021 PBYNUMIUSVYHLC-NSHDSACASA-N 246.075 -0.212 50 20 BBGD CC(=O)N[C@@H](C)C(=O)NNC(=O)c1ccc[nH]1 726629604 KNEDAALEATYHCY-LURJTMIESA-N 238.247 -0.700 50 20 BBGD COc1ccccc1C(=O)NNS(C)(=O)=O 731494325 VEKXLEPXAUVDCL-UHFFFAOYSA-N 244.272 -0.111 50 20 BBGD O=C(O)NNS(=O)(=O)C[C@H]1CCCO1 738660499 DYUFIPXKBNNCMS-RXMQYKEDSA-N 224.238 -0.733 50 20 BBGD O=C(NNc1cccnn1)[C@]1(O)CCSC1 753090428 HKIGDAJGUMZHJA-VIFPVBQESA-N 240.288 -0.212 50 20 BBGD Cc1cnc(C(=O)NNC(=O)CO)c(C)c1 753436641 BDJDVPOVNJVHIH-UHFFFAOYSA-N 223.232 -0.548 50 20 BBGD CN1CCO[C@H](C(=O)N2CC=C(C#N)CC2)C1 767160162 NLUHQAITLWMVGF-NSHDSACASA-N 235.287 -0.001 50 20 BBGD CNC(=O)NNS(=O)(=O)c1ccoc1 795301951 IVYZIRWVWUAZFW-UHFFFAOYSA-N 219.222 -0.598 50 20 BBGD CC(C)[C@H](O)C(=O)NNC(=O)C1CC1 813364467 SNDOFCRJNCFEKH-ZETCQYMHSA-N 200.238 -0.439 50 20 BBGD CCC1(CC)C(=O)NCCC1=NNC(=O)CO 819811988 GXMATJPYYXBHJY-UHFFFAOYSA-N 241.291 -0.223 50 20 BBGD C[C@@H](CO)N(C)NC(=O)CN1CCCC1 823939999 SUDSCWQKCYRGHU-VIFPVBQESA-N 215.297 -0.574 50 20 BBGD CCCNC(=O)NNC(=O)[C@@H]1CCCN1C=O 823951384 PNTMWBYYOSVQRF-QMMMGPOBSA-N 242.279 -0.652 50 20 BBGD CC1=C(C(=O)NN)[C@@H](C)n2ncnc2N1C 843450473 AFTCLGIPJXDZAR-ZCFIWIBFSA-N 222.252 -0.447 50 20 BBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1ncc[nH]1 855005129 CCFWJVJZDASWGH-BQBZGAKWSA-N 238.247 -0.404 50 20 BBGD C[C@H]1COCCC1=NNC(=O)[C@H]1CCC(=O)N1 863153093 MNVKHMZFYSUMJS-IONNQARKSA-N 239.275 -0.206 50 20 BBGD C[C@@H](O)CN(C)NC(=O)c1cn(C2CC2)nn1 910140376 QDTLPYSYEZLUKX-SSDOTTSWSA-N 239.279 -0.430 50 20 BBGD N#CC1=CCN(CCCS(N)(=O)=O)CC1 1319922330 NEMOMXXGMKGWLU-UHFFFAOYSA-N 229.305 -0.179 50 20 BBGD C[C@H](C(=O)NNC(=O)c1ccnnc1)C1CNC1 1575071908 QFLKQPVVWRQWLR-ZETCQYMHSA-N 249.274 -0.907 50 20 BBGD CNC(=O)CN1CCC(NC(=O)CCl)CC1 37004907 ZUDVXWAWEPKLJP-UHFFFAOYSA-N 247.726 -0.448 50 20 BBGD CC1CCN(CC(=O)NNc2nnc[nH]2)CC1 293800664 DFCGNPHNUOSHEK-UHFFFAOYSA-N 238.295 -0.020 50 20 BBGD C#CCN(CC)[C@@H](C)C(=O)NNC(=O)CC 490841362 TWFPVXHUTPJZKJ-VIFPVBQESA-N 225.292 -0.113 50 20 BBGD CCC1(C(=O)Nc2cccc(B(O)O)c2)COC1 584912378 MYGJBAIZTPUVCC-UHFFFAOYSA-N 249.075 -0.269 50 20 BBGD CCOC(=O)NNC(=O)CCCNC(=O)O 737147368 WARQTTJTFHYZHT-UHFFFAOYSA-N 233.224 -0.189 50 20 BBGD Cn1nncc1-c1csc(NNC(N)=O)n1 794690787 KCUYPIAPUAQRFP-UHFFFAOYSA-N 239.264 -0.066 50 20 BBGD C[C@@H]1COC(=O)C1=NNC(=O)N1CCOCC1 794903440 IVLSVZSLAARJMH-SSDOTTSWSA-N 241.247 -0.423 50 20 BBGD O=C(Cc1cccnc1)NNC(=O)NCCF 798063805 NBRPCFIZGFGIPZ-UHFFFAOYSA-N 240.238 -0.076 50 20 BBGD C=CC(=O)N(C)CC(=O)NN(C)C(=S)NC 861962406 LAOVEYFFEVMQDN-UHFFFAOYSA-N 244.320 -0.902 50 20 BBGD O=C1CC(C(=O)NNC(=O)c2cn[nH]c2)C1 862472668 QFUSUWDXECHPRH-UHFFFAOYSA-N 222.204 -0.850 50 20 BBGD Cc1cc(=NNC(=O)[C@H]2CC[C@@H]2C(N)=O)cc[nH]1 862514313 XJVXHXPLWAGFAS-UWVGGRQHSA-N 248.286 -0.233 50 20 BBGD CCn1cc(/C=C(/C#N)C(=O)NC)nn1 899341966 NUMGOVMRZFTRIN-DAXSKMNVSA-N 205.221 -0.049 50 20 BBGD C[C@H]1CC(=NNC(=O)c2ncon2)CO1 901284827 AUGXTYSAYSQLNO-YFKPBYRVSA-N 210.193 -0.036 50 20 BBGD C[C@@H](O)CN(C)NC(=O)[C@@H]1CCC(=O)C1 910145955 GYJFTNGLPZQNSI-HTQZYQBOSA-N 214.265 -0.301 50 20 BBGD O=C(NNC(=O)C1CC1)C1=CCOCC1 1255045415 CFLHUWUKJOXBRF-UHFFFAOYSA-N 210.233 -0.110 50 20 BBGD Cc1nn(C)c(Cl)c1C=NNC(=O)CO 1319969634 CSKBVTRPPOAXPN-UHFFFAOYSA-N 230.655 -0.176 50 20 BBGD CN(NC(=O)c1cccc(O)c1O)C(N)=O 1321035423 WUGXRLJQJKZWSO-UHFFFAOYSA-N 225.204 -0.247 50 20 BBGD CC(=O)NCC(=O)NNc1ncncc1F 1330552951 QWEMCSLXJQWWAN-UHFFFAOYSA-N 227.199 -0.805 50 20 BBGD CNC(=O)NNC(=O)c1c(C)nc(N)nc1C 1341891184 POUUBONAHISWEO-UHFFFAOYSA-N 238.251 -0.751 50 20 BBGD Cc1cc(C(=O)N2CC[C@@H](B(O)O)C2)n(C)n1 1348490209 NADAYXWQFNWECZ-MRVPVSSYSA-N 237.068 -0.583 50 20 BBGD CN(NC(=O)c1ccc(C(=O)O)cn1)C(N)=O 1593766246 IZXSGIXWPYQZHN-UHFFFAOYSA-N 238.203 -0.565 50 20 BBGD C[C@H](NC(=O)NNC(=O)C(=O)O)C1CCCC1 1599894393 REDYEJFQTBQVEH-LURJTMIESA-N 243.263 -0.020 50 20 BBGD CC(=O)NNC(=O)[C@@H]1Cc2ccccc2C(=O)O1 72575972 SZKLUMWHVZXAHU-JTQLQIEISA-N 248.238 -0.065 50 20 BBGD CCC[C@@H](C)CC(=O)NNC(=O)CO 182753316 CFZOFWDOEYMNGX-SSDOTTSWSA-N 202.254 -0.048 50 20 BBGD CCO/C=C(\C#N)C(=O)N1CC(C(=O)NC)C1 274414958 WRQLACGKJRVHAS-BQYQJAHWSA-N 237.259 -0.365 50 20 BBGD CN1C(=O)[C@@H]2CN(C(=O)CCCl)C[C@@H]2C1=O 409425769 GVHNTGFYUOUDNA-KNVOCYPGSA-N 244.678 -0.312 50 20 BBGD COC(=O)NNC(=O)c1n[nH]c2c1CCC2 495326598 NRXSPOWVCLZLLM-UHFFFAOYSA-N 224.220 -0.101 50 20 BBGD CCc1cc(C(=O)NNC(=O)OC)n[nH]1 495409139 WWQNVSDOOXKKMY-UHFFFAOYSA-N 212.209 -0.027 50 20 BBGD CCOC(=O)NNC(=O)[C@@]1(F)CCOC1 496043297 OLIVASYKEYPSQN-MRVPVSSYSA-N 220.200 -0.108 50 20 BBGD O=C(NCCCF)c1ccc(B(O)O)cc1 584962478 HBMPBBPHXKUFOI-UHFFFAOYSA-N 225.028 -0.544 50 20 BBGD CC#CCCNC(=O)c1ccc(B(O)O)c(F)c1 584972096 MZJZWUGIKXZBRM-UHFFFAOYSA-N 249.050 -0.351 50 20 BBGD CC[C@H](O)[C@@H](CC)NCc1ccc(B(O)O)o1 585044781 UCLMULNHYLJQKO-ZJUUUORDSA-N 241.096 -0.402 50 20 BBGD CCc1cnccc1C(=O)NCB(O)O 585063130 ULLSDGXPBOHMTF-UHFFFAOYSA-N 208.026 -0.614 50 20 BBGD CCC(=O)NNC(=O)[C@@H](C)N1CCO[C@H](C)C1 731849045 RPPWWPRTMVBCFB-RKDXNWHRSA-N 243.307 -0.347 50 20 BBGD CCC(=O)NNC(=O)[C@@H](C)N(C)CC[C@@H](C)O 744406408 JUKKXSQRFDPKDO-RKDXNWHRSA-N 245.323 -0.365 50 20 BBGD C[C@@H](C(=O)NNC(=O)c1cnn(C)c1)N(C)C 750612993 QKVGECBJXYGAIQ-ZETCQYMHSA-N 239.279 -0.869 50 20 BBGD CCNC(=O)NNC(=O)c1ccc(C#N)[nH]1 751719975 VGIQIYYPSMVKQM-UHFFFAOYSA-N 221.220 -0.150 50 20 BBGD CC[C@H]1C[C@H](CC(=O)NNC(=O)CO)CCO1 753443794 AUSISUJXBYPBEZ-BDAKNGLRSA-N 244.291 -0.279 50 20 BBGD CN1CCC(=NNC(=O)N2CCOCC2)C1=O 761799452 IUNPJAZHXOZSLA-UHFFFAOYSA-N 240.263 -0.754 50 20 BBGD CCO/C=C(\C#N)C(=O)N[C@@H](CO)CN(C)C 819824753 MWTPFJNBZNCMCR-AAXQSMANSA-N 241.291 -0.531 50 20 BBGD CCOC(=O)N(C)CCCC(=O)NN 884240989 LGWLARMXIWRPLA-UHFFFAOYSA-N 203.242 -0.155 50 20 BBGD C[C@@H](O)CN(C)NC(=O)C1=COCCO1 910183170 OETCIQYTXPVCMV-SSDOTTSWSA-N 216.237 -0.782 50 20 BBGD C/C=C(\C)C(=O)NNC(=O)CN1CCCC1=O 913731518 LNPSCEAJKLZALP-FPYGCLRLSA-N 239.275 -0.278 50 20 BBGD COC(=O)N(C)NC(=O)NCC[S@](C)=O 1119150504 AEWJCVRXGGNVJP-HNNXBMFYSA-N 237.281 -0.723 50 20 BBGD CN(NC(=O)CCc1cn[nH]c1)C(N)=O 1119593096 PPZHVYQGHJODAA-UHFFFAOYSA-N 211.225 -0.616 50 20 BBGD CCCNC(=O)NNC(=O)[C@@]1(F)CCOC1 1327656885 HNZKPVPTNSMZIM-SECBINFHSA-N 233.243 -0.145 50 20 BBGD O=C(NNC(=O)[C@]12CNC[C@@H]1C2)C1CCC1 1580736183 NMEAQTGBDBJVHL-GZMMTYOYSA-N 223.276 -0.457 50 20 BBGD CC(C)C(=O)NNC(=O)[C@H](C)C(=O)O 1588799573 RPTJUQLNOSRMPV-YFKPBYRVSA-N 202.210 -0.490 50 20 BBGD CC(=NNC(=O)C(=O)O)c1cc(C)nn1C 1609549609 OYCQMUMPJDPVNR-UHFFFAOYSA-N 224.220 -0.347 50 20 BBGD CC(=O)NNC(=O)CSc1nncs1 7194220 YTGALVQYXPVTTD-UHFFFAOYSA-N 232.290 -0.203 50 20 BBGD Cc1cc2ncc(C(=O)NN)c(C)n2n1 37389409 XFSBTYRHKBGTCX-UHFFFAOYSA-N 205.221 -0.050 50 20 BBGD CC(C)(C)c1cc(C(=O)NNC(=O)CO)[nH]n1 182747682 WIBKXJYDUUNBEF-UHFFFAOYSA-N 240.263 -0.540 50 20 BBGD CCNC(=O)N(C)NC(=O)CCn1ccnc1 272659976 HEBYLTCFEJFMBL-UHFFFAOYSA-N 239.279 -0.034 50 20 BBGD O=C(O)C(=O)NNc1ncc(F)cn1 307093348 ZZSKUTOIVWVBAB-UHFFFAOYSA-N 200.129 -0.857 50 20 BBGD COC[C@@](C)(O)C(=O)NN(C)C(=O)OC 495693973 WAFSWSVKSNTMQC-MRVPVSSYSA-N 220.225 -0.887 50 20 BBGD Cc1ccncc1CNCc1ccc(B(O)O)o1 585044112 YXRSKRKZRMCIIZ-UHFFFAOYSA-N 246.075 -0.047 50 20 BBGD CN(C)C(=O)NNC(=O)CCCN(C)C(=O)O 737350196 WFLDHIHDZAEGBN-UHFFFAOYSA-N 246.267 -0.321 50 20 BBGD C[C@H]1C(=O)CC[C@@H]1CC(=O)NNC(=O)CO 795237388 CRMGKZKEXKNGIY-RNFRBKRXSA-N 228.248 -0.869 50 20 BBGD CC#CCN(C)[C@H](C)C(=O)NNC(=O)CC 815285224 XIWFOYLPLRBHSN-SECBINFHSA-N 225.292 -0.113 50 20 BBGD COc1ncccc1C(=O)NNc1nc[nH]n1 816631741 CILBJZWAVQCYHJ-UHFFFAOYSA-N 234.219 -0.035 50 20 BBGD CCN(CCO)NC(=O)[C@@H](O)C1CC1 823884578 ADSGCUAJBRVYNG-QMMMGPOBSA-N 202.254 -0.897 50 20 BBGD C[C@@H](CO)N(C)NC(=O)Cc1cncc(O)c1 823924053 XUFWABUFAAFSTG-QMMMGPOBSA-N 239.275 -0.327 50 20 BBGD Cc1cc(CC(=O)NN(C)[C@@H](C)CO)n[nH]1 823947368 WYQZDSNVDADBID-QMMMGPOBSA-N 226.280 -0.396 50 20 BBGD CC(=NNC(=O)NCC(=O)O)[C@@H]1CCOC1 833385005 QVFQNMYVWWOWNF-SSDOTTSWSA-N 229.236 -0.217 50 20 BBGD COCCN(C)NC(=O)c1n[nH]c(C)c1O 837627165 PDTKAVBBXNDKNV-UHFFFAOYSA-N 228.252 -0.353 50 20 BBGD C=C[C@](C)(O)C(=O)NNC(=O)[C@H]1CCCCO1 854682731 GFSOZRSOORPVAX-KCJUWKMLSA-N 242.275 -0.360 50 20 BBGD COc1nccnc1NNC(=O)c1ncc[nH]1 857539811 GIBOKXGBHPMKLR-UHFFFAOYSA-N 234.219 -0.035 50 20 BBGD CCCCCC(=O)NNC(=O)[C@H]1CCC(=O)N1 862449483 GUZAQJFAKCLCSE-MRVPVSSYSA-N 241.291 -0.007 50 20 BBGD NC(=O)c1cc(N2CC[C@H](B(O)O)C2)ccn1 864233229 IESFAXWACYGGQC-ZETCQYMHSA-N 235.052 -0.766 50 20 BBGD Cc1cc(CC(=O)NN(C)C[C@@H](C)O)n[nH]1 910166204 OMXHNUIFKPLMRH-MRVPVSSYSA-N 226.280 -0.396 50 20 BBGD Cn1cccc1C(=O)C(=O)NNC(=O)C1CC1 1117330186 CEFAEDSRTSQBNB-UHFFFAOYSA-N 235.243 -0.235 50 20 BBGD C=CCNC(=S)NNC(=O)Cc1nc[nH]n1 1118977593 BMLCWADQFMZIOB-UHFFFAOYSA-N 240.292 -0.972 50 20 BBGD CN(C)C(=O)NNC(=O)CCCn1ccnc1 1251653424 HRQFIBQFWXVDEM-UHFFFAOYSA-N 239.279 -0.034 50 20 BBGD CCNC(=O)NNC(=O)c1cn(C)cn1 1253695009 XRCCBVFJHZYFJB-UHFFFAOYSA-N 211.225 -0.616 50 20 BBGD CS(=O)(=O)CC1(CC(=O)NN)CC1 1261452179 VGAOHSRVFAAXHW-UHFFFAOYSA-N 206.267 -0.809 50 20 BBGD CC(C)NC(=S)NNC(=O)C1(C)COC1 1320002493 OIGNGFJNILBIMY-UHFFFAOYSA-N 231.321 -0.073 50 20 BBGD O=C(NNS(=O)(=O)c1cnc[nH]1)C1CCC1 1321966385 BRYZQBPDJLPEBU-UHFFFAOYSA-N 244.276 -0.481 50 20 BBGD CC(=O)NNC(=O)CCCn1ccccc1=O 1324401830 ZRAFJXNEVZMFTI-UHFFFAOYSA-N 237.259 -0.204 50 20 BBGD O=C(CO[C@@H]1CCOC1)NN=c1cc[nH]cc1 1325084620 ZQTXBPRTHISQEO-SNVBAGLBSA-N 237.259 -0.248 50 20 BBGD Cc1nccnc1C(=O)NN(C)C(N)=O 1329250591 ZBRGBGKKNHITIY-UHFFFAOYSA-N 209.209 -0.560 50 20 BBGD CCNC(=O)N(C)NC(=O)CCCCO 1329392069 AILXLNKXQSTEIV-UHFFFAOYSA-N 217.269 -0.159 50 20 BBGD CC[C@H]1COCC1=NNC(=O)CCO 1330025648 ORIAKYPGJLTZIV-ZETCQYMHSA-N 200.238 -0.103 50 20 BBGD C[C@H]1COCC1=NNC(=O)[C@H]1CCC(=O)N1 1333199514 IXOCRPPCUULLIV-NKWVEPMBSA-N 225.248 -0.597 50 20 BBGD CC[C@@H](CO)C(=O)NNC(=O)Cc1cc[nH]n1 1353871976 JLDHGTVGIVYCOF-ZETCQYMHSA-N 240.263 -0.882 50 20 BBGD C[C@H](CO)N(C)NC(=O)[C@@H]1[C@@H](N)[C@H]2C=C[C@H]1C2 1573551845 PTHOAECXHUSESV-NMUGVGKYSA-N 239.319 -0.520 50 20 BBGD CC(C)NC(=S)NNC(=O)CCN 1574067544 ZFVASQFUBJFFKI-UHFFFAOYSA-N 204.299 -0.761 50 20 BBGD CCS(=O)(=O)CCNC(=O)CCl 218348244 NOKASROHBZHHHR-UHFFFAOYSA-N 213.686 -0.224 50 20 BBGD CO[C@H](CNCc1ccc(B(O)O)o1)C(C)C 585027310 QEMDSWGOMZBOOV-SNVBAGLBSA-N 241.096 -0.280 50 20 BBGD CSC1(CNCc2ccc(B(O)O)o2)CC1 585039143 OVYXHEDKMQPXPR-UHFFFAOYSA-N 241.121 -0.055 50 20 BBGD CCNC(=O)NNC(=O)COC[C@H]1CCCO1 733255525 BIHAFGJOICXMJW-MRVPVSSYSA-N 245.279 -0.468 50 20 BBGD CC(=NNC(=O)CO)c1cc(C)nn1C 789037728 PWXBPFZDPDMNNE-UHFFFAOYSA-N 210.237 -0.439 50 20 BBGD C[C@H]1C(=NNC(=O)C(N)=O)CC[C@H]1CC(=O)O 814696311 CUPOTKOSJRBDGZ-RITPCOANSA-N 241.247 -0.535 50 20 BBGD CCN(CCO)NC(=O)/C=C\c1cnn(C)c1 823837503 DNQJHNNOWLYCTC-PLNGDYQASA-N 238.291 -0.221 50 20 BBGD C=CCNC(=S)NNC(=O)C(C)(C)CO 847285558 OFLNYQLSGLCRNO-UHFFFAOYSA-N 231.321 -0.314 50 20 BBGD C[C@H](O)C(=O)NNC(=S)N[C@@H](C)C1CC1 855099119 RQHGLBGIENAMMQ-WDSKDSINSA-N 231.321 -0.339 50 20 BBGD C=CC(=O)N(C)CC(=O)NN(C)C(=O)NCC 860668842 XJSRZDAQYQHYMD-UHFFFAOYSA-N 242.279 -0.677 50 20 BBGD CCCNC(=O)NNC(=O)c1cc[nH]n1 921038072 ANWNYBGMVTVTMB-UHFFFAOYSA-N 211.225 -0.236 50 20 BBGD CC(CCO)=NNC(=O)[C@@H]1CCS(=O)(=O)C1 1116206364 CBMLRUNMVQZJRM-MRVPVSSYSA-N 248.304 -0.704 50 20 BBGD CNC(=O)NNC(=O)[C@@H]1CCCc2nn[nH]c21 1118635672 WTBGEYCZTRRMIQ-RXMQYKEDSA-N 238.251 -0.815 50 20 BBGD CC(C)(O)CC(=O)NNC(=O)C1CCOCC1 1119289863 VOSQZSFLJQPCNN-UHFFFAOYSA-N 244.291 -0.279 50 20 BBGD CN(NC(=O)Cc1ccn(C)n1)C(N)=O 1326356979 RJBXPTVJYVNTCT-UHFFFAOYSA-N 211.225 -0.996 50 20 BBGD Cc1nnccc1C(=O)NN(C)[C@H](C)CO 1330880031 OZBXECMWYFDZIS-SSDOTTSWSA-N 224.264 -0.258 50 20 BBGD CNC(=O)c1ccc(C=NNC(=O)CCO)cc1 1330904829 VCMAIXCVDFZBSU-UHFFFAOYSA-N 249.270 -0.121 50 20 BBGD O=C(CC1CC1)NNC(=O)C[C@H]1CC(=O)N1 1331200599 DQPRQSFFYXFZIX-SSDOTTSWSA-N 225.248 -0.788 50 20 BBGD C[C@@H]1CO[C@H](C(=O)NNC(=O)CCCN)C1 1576856187 IPJUPDGYYIKSTI-YUMQZZPRSA-N 229.280 -0.702 50 20 BBGD C#CCNC(=O)NNC(=O)Cc1ccncc1 490762020 DUZTYOSLVFQSGG-UHFFFAOYSA-N 232.243 -0.412 50 20 BBGD COC[C@@H](C)CNCc1ccc(B(O)O)o1 585019302 IRAWTFULFYRNBK-QMMMGPOBSA-N 227.069 -0.669 50 20 BBGD C[C@@H](CCCO)NCc1ccc(B(O)O)cc1 585028078 DDPMAUZJRMGTIN-JTQLQIEISA-N 237.108 -0.383 50 20 BBGD OB(O)c1ccc(CNC[C@H]2CC[C@@H](O)C2)o1 585037541 BELDPRVNFNTNPG-DTWKUNHWSA-N 239.080 -0.790 50 20 BBGD C[C@@H]1[C@H](C(=O)N2CC[C@@H](B(O)O)C2)CCN1C 585065263 WJMBPAHWZQDERC-OPRDCNLKSA-N 240.112 -0.598 50 20 BBGD CCC(=O)NNS(=O)(=O)C[C@@H]1CCCO1 735646566 SKAWWXIZAKTPIV-ZETCQYMHSA-N 236.293 -0.474 50 20 BBGD NC(=O)C(=O)NN=C1COc2cc(F)ccc21 814695889 VFXVBDJTOWZDQH-UHFFFAOYSA-N 237.190 -0.476 50 20 BBGD CN(NC(=O)c1cccc(C(N)=O)n1)C1CC1 819650139 UIILDIOSIGBJKH-UHFFFAOYSA-N 234.259 -0.081 50 20 BBGD CCN(CCO)NC(=O)C[C@H]1CCCO1 823847034 QQLSEDJYCHFIFN-SECBINFHSA-N 216.281 -0.099 50 20 BBGD C[C@@H](CO)N(C)NC(=O)C1(CN(C)C)CC1 823913413 UDUZFKCGNJJSTD-VIFPVBQESA-N 229.324 -0.328 50 20 BBGD C=C[C@@](C)(O)C(=O)NNC(=O)c1cc(C)[nH]n1 831425070 TZTPAGHABZBOAS-SNVBAGLBSA-N 238.247 -0.584 50 20 BBGD C=CCCC(=O)NNC(=O)c1ncon1 832826064 QKNCLPYAAIRMLS-UHFFFAOYSA-N 210.193 -0.203 50 20 BBGD CC(=O)N[C@@H](C)C(=O)NNC(=O)CC(C)C 849208629 ILBHXKVESWAOJZ-ZETCQYMHSA-N 229.280 -0.296 50 20 BBGD CC(C)(CO)C(=O)NNC(=O)c1cn[nH]c1 862470996 NDMYHTVSKZNVCV-UHFFFAOYSA-N 226.236 -0.811 50 20 BBGD C[C@H](CO)N(C)NC(=O)c1ccc[n+]([O-])c1 1261910676 GLXNKDUYDABLIZ-MRVPVSSYSA-N 225.248 -0.723 50 20 BBGD Cn1cc(C(=O)NNc2ncc(F)cn2)nn1 1324046200 MLLZPDMYCNFCLJ-UHFFFAOYSA-N 237.198 -0.499 50 20 BBGD O=C(CC1COC1)NNC(=O)c1cn[nH]c1 1332226396 RMTDBLHNTHVZKT-UHFFFAOYSA-N 224.220 -0.793 50 20 BBGD COc1cc(C(=O)NN(C)C(N)=O)on1 1337975353 YMEZKMCDYJGEPQ-UHFFFAOYSA-N 214.181 -0.662 50 20 BBGD CONC(=O)NNC(=O)c1cccc(C)n1 1344378519 RKTHPJXFPQSIOT-UHFFFAOYSA-N 224.220 -0.105 50 20 BBGD C[C@@H](CO)N(C)NC(=O)[C@@]12CCC[C@@H]1NCC2 1576036450 JKISZXLJMPNJQB-JBLDHEPKSA-N 241.335 -0.138 50 20 BBGD NCC(=O)NNC(=O)[C@@H]1C[C@H]1c1ccsc1 1580211050 VJLOCHLYZCQADM-JGVFFNPUSA-N 239.300 -0.042 50 20 BBGD CN(C)C(=O)NNC(=O)[C@@H]1CC[C@@H]1C(=O)O 1593686553 KWTRLDCKBUOBMD-RITPCOANSA-N 229.236 -0.600 50 20 BBGD CO[C@](C)(C(=O)O)C(=O)NN=c1cc[nH]cc1 1593926831 OUSLHSBKQFNVRB-JTQLQIEISA-N 239.231 -0.564 50 20 BBGD C#CCNC(=O)NNC(=O)Cn1nc(C)cc1C 79264654 ADKFZAPIAZARHS-UHFFFAOYSA-N 249.274 -0.536 50 20 BBGD Cc1cc(C(=O)NNC(=O)c2ccon2)[nH]n1 151171305 WPUBAAUIMKENDT-UHFFFAOYSA-N 235.203 -0.219 50 20 BBGD O=C(CO)NNC(=O)CSCC(F)(F)F 182756317 KGJMOGAYUXDHPG-UHFFFAOYSA-N 246.210 -0.578 50 20 BBGD C[C@@H](O)C(=O)NNC(=O)NCc1ccco1 276077149 FLMOLQZTJSFFGT-ZCFIWIBFSA-N 227.220 -0.509 50 20 BBGD CCN1CCO[C@@H](C(=O)NN(C)C(=O)OC)C1 376012288 FCNGPXMDMAAEPG-MRVPVSSYSA-N 245.279 -0.564 50 20 BBGD C[C@@H](NCc1ccc(B(O)O)o1)c1cnn(C)c1 585024920 HLXQREOZHIZQOB-MRVPVSSYSA-N 249.079 -0.456 50 20 BBGD O=S(=O)(c1ccco1)N1CC[C@@H](B(O)O)C1 585056565 RAALTRPHZXDQRP-SSDOTTSWSA-N 245.065 -0.483 50 20 BBGD O=C(O)[C@H]1C[C@H]1C(=O)NNc1cnccn1 739545720 BMBKYFXPDGLOBU-RITPCOANSA-N 222.204 -0.360 50 20 BBGD Cn1cnc(C(=O)NNC(=O)c2cnn(C)c2)c1 759125140 FRFQBXYWSMVOOY-UHFFFAOYSA-N 248.246 -0.772 50 20 BBGD O=C(CO)NN=Cc1cn2ccccc2n1 776784252 XTHUEECLABKSTM-UHFFFAOYSA-N 218.216 -0.223 50 20 BBGD CO[C@](C)(C(=O)NNC(C)=O)C1CC1 812450083 XGPGTYUDCXKSKZ-VIFPVBQESA-N 200.238 -0.031 50 20 BBGD CCCNC(=O)NNC(=O)[C@@H](O)C(C)C 813425469 JHLJXCQDXCOLSW-ZETCQYMHSA-N 217.269 -0.256 50 20 BBGD Cc1ccn(CC(=O)NNc2nc[nH]n2)c(=O)c1 816631720 BSQRQDZBDKBEMC-UHFFFAOYSA-N 248.246 -0.582 50 20 BBGD CCN(CCO)NC(=O)COc1cccnc1 823856218 NAYRZLPPZRPZEH-UHFFFAOYSA-N 239.275 -0.194 50 20 BBGD C[C@@H](CO)N(C)NC(=O)c1cncnc1 823935027 MMBRWZBBJDOJEG-ZETCQYMHSA-N 210.237 -0.566 50 20 BBGD N#CC1(C(=O)NNC(=O)c2cc[nH]n2)CCC1 855358448 KEGAIWWHXSQWJP-UHFFFAOYSA-N 233.231 -0.135 50 20 BBGD CCC(COC)=NNC(=O)[C@H]1CCC(=O)N1 863149370 YGRGAGHVNRGUSC-MRVPVSSYSA-N 227.264 -0.206 50 20 BBGD CCNC(=O)NNC(=O)[C@H](CC)NC(C)=O 865015642 FKZADKFZEPJFJW-ZETCQYMHSA-N 230.268 -0.749 50 20 BBGD CN(CCO)CCNS(=O)(=O)CCl 885804146 GSQQFFUITIYMFD-UHFFFAOYSA-N 230.717 -0.974 50 20 BBGD CCO/C=C(/C#N)C(=O)N=c1nc[nH]n1C 901083231 HXVFHINBUMEOSD-ALCCZGGFSA-N 221.220 -0.381 50 20 BBGD CCO/C=C(/C#N)C(=O)Nn1ccnn1 908835769 YBGJOXXVPZEGTJ-SREVYHEPSA-N 207.193 -0.208 50 20 BBGD C[C@@H](O)CN(C)NC(=O)Cc1cccnc1 910160203 HIQFJQDYGGEMTQ-SECBINFHSA-N 223.276 -0.032 50 20 BBGD CC[C@H](CO)NCC(=O)NNC(=O)C(C)(C)C 931772405 OJFVGMNERHQSPW-MRVPVSSYSA-N 245.323 -0.460 50 20 BBGD CNC(=O)NNC(=O)c1c[nH]c(C(=O)OC)c1 1117702260 RJFFWZSQWIPXSG-UHFFFAOYSA-N 240.219 -0.625 50 20 BBGD CNC(=O)NNC(=O)[C@H](C)Cc1cnc[nH]1 1118308125 AWTGDAHSINZDHP-ZCFIWIBFSA-N 225.252 -0.452 50 20 BBGD CCNC(=S)NNC(=O)c1ncon1 1120086385 YCSBEPGHHXXYPH-UHFFFAOYSA-N 215.238 -0.802 50 20 BBGD O=C(CO)NNC(=O)CC(C1CC1)C1CC1 1323782245 DUMSNRKVCJEVRJ-UHFFFAOYSA-N 226.276 -0.048 50 20 BBGD COc1ccc(NNC(=O)c2cn(C)nn2)nc1 1324049274 QOBYFZNORWKJQT-UHFFFAOYSA-N 248.246 -0.024 50 20 BBGD O=C(CC[C@@H]1CCOC1)N1CC[C@H](B(O)O)C1 1331896751 RQONVKGOOJZLMU-ZJUUUORDSA-N 241.096 -0.122 50 20 BBGD C[C@H](O)CN(C)NC(=O)c1cc(CO)on1 1332148535 MHLWXPYIZAEQMV-LURJTMIESA-N 229.236 -0.876 50 20 BBGD O=C(NNC(=O)C1CCOCC1)c1ccon1 1334279397 JNRPOIUDSHNRGA-UHFFFAOYSA-N 239.231 -0.138 50 20 BBGD CNC(=O)NN=CC(C)(C)S(C)(=O)=O 1335767454 AYOROJUYBBBRGX-UHFFFAOYSA-N 221.282 -0.276 50 20 BBGD CN(NC(=O)[C@@H](N)CO)C(=O)OC(C)(C)C 1573882891 SHHJLGXLYHSOJW-LURJTMIESA-N 233.268 -0.796 50 20 BBGD CNC(=S)N(C)NC(=O)[C@H](C(=O)O)C(C)C 1604248908 BLWJXYCOBMCBJQ-ZCFIWIBFSA-N 247.320 -0.190 50 20 BBGD CCC(CC)CC(=O)NNC(=O)CO 182763274 JXWMCPBMBBNMFD-UHFFFAOYSA-N 202.254 -0.048 50 20 BBGD C[C@H](Cl)C(=O)N1CC[C@@H]2C(=O)NC(=O)[C@@H]2C1 409430386 VMYRISMBEINIKO-LYFYHCNISA-N 244.678 -0.265 50 20 BBGD O=C(CSC(F)(F)F)NCB(O)O 585062528 UDLLUVAEJABXAS-UHFFFAOYSA-N 216.977 -0.632 50 20 BBGD C[C@H]1CC/C(=C\C(=O)NNC(=O)CO)C1 753445046 DQELOQGODDDNJA-QAZRXNLGSA-N 212.249 -0.128 50 20 BBGD CCNC(=O)N(C)NC(=O)CCCC(N)=O 787500792 JNNRXAKRWARVLJ-UHFFFAOYSA-N 230.268 -0.666 50 20 BBGD CC(=O)N[C@H](C)C(=O)NNC(=O)CC(C)C 849208626 ILBHXKVESWAOJZ-SSDOTTSWSA-N 229.280 -0.296 50 20 BBGD CN(NC(=O)C1(n2cnnn2)CC1)C1CC1 854983931 YBJLARVPUGPEIP-UHFFFAOYSA-N 222.252 -0.712 50 20 BBGD Cc1nc(CC(=O)NN=c2cc[nH]cc2)n[nH]1 857482362 BHGYSYMGGJLUCF-UHFFFAOYSA-N 232.247 -0.384 50 20 BBGD C[C@H](O)CN(C)NC(=O)Cc1cncc(O)c1 910144219 FZFSJXMLPHPRQY-QMMMGPOBSA-N 239.275 -0.327 50 20 BBGD C[C@H](O)CN(C)NC(=O)[C@@H](C)c1cnccn1 910184558 SZODBGKPQIYINS-IUCAKERBSA-N 238.291 -0.076 50 20 BBGD O=C(CCn1ccnn1)NNC(=O)C1CC1 1255564387 HEBQJWBFJFYLFO-UHFFFAOYSA-N 223.236 -0.774 50 20 BBGD CCNC(=O)NNC(=O)c1cnccc1C#N 1326054033 PRHUZNNKUXNNEO-UHFFFAOYSA-N 233.231 -0.083 50 20 BBGD C=CCNC(=S)NNC(=O)c1cncnc1 1344522662 AZUUNMWNBNVBNZ-UHFFFAOYSA-N 237.288 -0.229 50 20 BBGD NNC(=O)c1cc2c(nc1O)CCOC2 1580358257 BLZQBUIPYYQDSH-UHFFFAOYSA-N 209.205 -0.537 50 20 BBGD CCO/C=C(/C#N)C(=O)N[C@](C)(CO)C(=O)O 1596864564 WWZPLWNDAIWAFG-ONRRBMGISA-N 242.231 -0.618 50 20 BBGD COCCN(C)NC(=O)[C@H]1C[C@H]1C(=O)O 1606881082 YHOCCURZOMFYQI-NKWVEPMBSA-N 216.237 -0.684 50 20 BBGD CN(C)CC(=O)NNC(=O)Cc1ccoc1 163100438 XYKILRLWESBJGZ-UHFFFAOYSA-N 225.248 -0.469 50 20 BBGD CC[C@H](NNC(=O)c1cnn(C)c1)C(=O)OC 192850207 TZJHPCALQDWXTR-QMMMGPOBSA-N 240.263 -0.394 50 20 BBGD COC[C@@H](CCO)NS(=O)(=O)CCl 228444165 SIGBOPUYHBDXCB-ZCFIWIBFSA-N 231.701 -0.501 50 20 BBGD CC[C@@H](OC)C(=O)NNC(=O)C(=O)NC(C)C 299401572 NFKBWSRHHDAHMC-SSDOTTSWSA-N 245.279 -0.917 50 20 BBGD COC(=O)NNC(=O)[C@@H]1CCC[C@H](C(N)=O)C1 492200585 ISMRGXRWSGCCRX-NKWVEPMBSA-N 243.263 -0.335 50 20 BBGD C#CCOCCC(=O)NNC(=O)CC1CC1 819114866 UDOXTPYHBNFRPE-UHFFFAOYSA-N 224.260 -0.026 50 20 BBGD COc1nccc(C(=O)NN(C)C[C@@H](C)O)n1 822558116 PRQDVFPQTGLRRS-SSDOTTSWSA-N 240.263 -0.557 50 20 BBGD CCN(CCO)NC(=O)/C=C/[C@H]1CCOC1 823889519 ZQEWRUZQNTVDKT-FSIBCCDJSA-N 228.292 -0.076 50 20 BBGD C=CCn1cc(C(=O)NN(CC)CCO)nn1 823893231 AFVHHFLKSOUCHJ-UHFFFAOYSA-N 239.279 -0.577 50 20 BBGD O=C(CO)NNC(=O)c1cc2c([nH]1)CCCC2 827895529 USTGHDWYBOBPHF-UHFFFAOYSA-N 237.259 -0.353 50 20 BBGD CN(CC(=O)NNC(=O)C1CC1)CC(C)(C)N 852753649 FXFIWCGECMZUBN-UHFFFAOYSA-N 242.323 -0.787 50 20 BBGD C=C[C@H](O)C(=O)NNC(=O)CC(F)(F)F 855001007 SDEKPJJLJIGXGZ-BYPYZUCNSA-N 226.154 -0.367 50 20 BBGD C=C[C@](C)(O)C(=O)NNC(=O)[C@H]1CCO[C@H]1C 855007048 SPQNEKGXFPKRQV-LAEOZQHASA-N 242.275 -0.504 50 20 BBGD CN(C)C(=O)NNC(=O)CN(C)C1CCC1 900428833 ZKULPDWALVWEJJ-UHFFFAOYSA-N 228.296 -0.227 50 20 BBGD COC(=O)N(C)NC(=O)[C@@H]1[C@H]2CCC(=O)[C@@H]21 908113125 NBLVINGNMMWSOV-UIISKDMLSA-N 226.232 -0.059 50 20 BBGD CC(=O)NNC(=O)[C@@H](C)OC[C@@H]1CCCO1 921073601 HKYJBENCLUCZMS-APPZFPTMSA-N 230.264 -0.262 50 20 BBGD O=C(Cc1cc[nH]n1)NNc1cccnn1 1116563306 ZIJPGVJBYFBKFQ-UHFFFAOYSA-N 218.220 -0.115 50 20 BBGD Cc1cnn(C)c1C=NNC(=O)[C@@H]1CCC(=O)N1 1118889463 JUQRXOCPKNRMAW-QMMMGPOBSA-N 249.274 -0.543 50 20 BBGD CCN(CCO)NC(=O)c1c(CO)noc1C 1119104884 ONYWFJAIDMZGCW-UHFFFAOYSA-N 243.263 -0.566 50 20 BBGD CN(C)c1ccncc1C=NNC(=O)C(N)=O 1319954375 LFPLIMARFRDHKW-UHFFFAOYSA-N 235.247 -0.917 50 20 BBGD COCCn1cc(C(=O)NN)ccc1=O 1326627769 RFDMQSVZOBXVBT-UHFFFAOYSA-N 211.221 -0.902 50 20 BBGD C=CCn1cc(C(=O)NNC(=O)OC)nn1 1349469482 NWDCKXUPEGVNDW-UHFFFAOYSA-N 225.208 -0.535 50 20 BBGD CO[C@H](C)[C@H](N)C(=O)NNc1ncccn1 1574084937 XHISUNIYCQGLMW-RQJHMYQMSA-N 225.252 -0.718 50 20 BBGD C[C@@H](C(=O)O)C(=O)NNc1cnccn1 1609701119 PYTOTRZZEGTEQD-RXMQYKEDSA-N 210.193 -0.360 50 20 BBGD CC[C@H](C)OCC(=O)NNC(=O)NC 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243.307 -0.491 50 20 BBGD CC[C@H](NNC(=O)[C@H]1CCO[C@@H]1C)C(=O)OC 843288782 HDXMWACHMACBEP-VGMNWLOBSA-N 244.291 -0.016 50 20 BBGD COC(=O)NNC(=O)[C@@H]1CCCC(=O)N1C 891772627 PYKALYHDRKQEQV-LURJTMIESA-N 229.236 -0.616 50 20 BBGD COC(=O)NNC(=O)/C=C1/SCC(=O)N1C 895509832 BAKMEULOCIWPBQ-XVNBXDOJSA-N 245.260 -0.580 50 20 BBGD CC(=O)NNC(=O)c1nc2nccc(C)n2n1 916587814 JZOPMMYMNQBSDV-UHFFFAOYSA-N 234.219 -0.786 50 20 BBGD O=C(c1cscn1)N1CC[C@@H](B(O)O)C1 1118916832 XDEMTNOFXNVRPA-ZCFIWIBFSA-N 226.066 -0.168 50 20 BBGD CCOC(=O)NNC(=O)c1[nH]nnc1C 1255670800 PKGZOEHLRBPGIC-UHFFFAOYSA-N 213.197 -0.496 50 20 BBGD C[C@H](CO)N(C)NC(=O)[C@]1(C)CCOC1 1261911038 QUZTWEAHEHEDNA-PSASIEDQSA-N 216.281 -0.243 50 20 BBGD O=C(NN=Cc1csnn1)C(=O)NC1CC1 1317851127 NNDZZXSIUMZKOJ-UHFFFAOYSA-N 239.260 -0.733 50 20 BBGD O=C(Cc1cc[nH]n1)NNC(=O)c1ccncn1 1320476008 DOZUQHNAUFURCK-UHFFFAOYSA-N 246.230 -0.797 50 20 BBGD CCO/C=C(\C#N)C(=O)N[C@@H](C)C(N)=O 1320554975 LEVBHBQLGLKVDQ-YXXZKMSWSA-N 211.221 -0.580 50 20 BBGD CCNC(=O)NNC(=O)C1CCOCC1 1324345566 SKWQYXXZCPWHLC-UHFFFAOYSA-N 215.253 -0.237 50 20 BBGD CC[C@@H]1C[C@H]1NC(=O)NNC(=O)C(=O)OC 1326960175 JOUCWYVEOCSQPN-PHDIDXHHSA-N 229.236 -0.712 50 20 BBGD O=C(NNC(=O)C1=CCOCC1)NC1CC1 1344378574 SONKOFSXPANQRV-UHFFFAOYSA-N 225.248 -0.174 50 20 BBGD CC(C)(N)C(=O)NNC(=O)[C@H]1CCCS1 1574068011 NVNFTIRCDQHKKW-ZCFIWIBFSA-N 231.321 -0.233 50 20 BBGD CN(C)CC(=O)NN=Cc1cc(C(=O)O)no1 1598197092 SZIVAETVHZJFSU-UHFFFAOYSA-N 240.219 -0.616 50 20 BBGD NNC(=O)CNC(=O)Cc1cccc(F)c1 192910038 NVGNUUKLUUPELG-UHFFFAOYSA-N 225.223 -0.526 50 20 BBGD O=C(c1ccc(B(O)O)cc1)N1CC(F)(F)C1 223327317 XBPILWITQAWTMD-UHFFFAOYSA-N 241.002 -0.543 50 20 BBGD CCOC(=O)/C(C#N)=C/NCc1cnnn1C 287198086 LOPIHKPZGXRWCQ-VMPITWQZSA-N 235.247 -0.125 50 20 BBGD C=C[C@H](CO)NS(=O)(=O)CBr 290268059 UAELGKVCPSTSAS-RXMQYKEDSA-N 244.110 -0.195 50 20 BBGD OC[C@H](CNCc1ccc(B(O)O)o1)C1CC1 585040261 DAABZGQLIKFHTB-VIFPVBQESA-N 239.080 -0.933 50 20 BBGD CC(C)OCCC(=O)N1CC[C@H](B(O)O)C1 585077343 RJFZKNJLHLFIPY-VIFPVBQESA-N 229.085 -0.123 50 20 BBGD CC(C)NC(=O)C(=O)NN=Cc1cc[nH]c1 745202184 PBIFOYWKCWFOQO-UHFFFAOYSA-N 222.248 -0.011 50 20 BBGD CS[C@H](C)C(=O)NNc1nccn(C)c1=O 747946148 USFPBMHYJQWRGJ-ZCFIWIBFSA-N 242.304 -0.025 50 20 BBGD CNC(=O)NN=Cc1ccc(C(=O)N(C)C)[nH]1 752165219 SYXCUOBXWVEJBH-UHFFFAOYSA-N 237.263 -0.021 50 20 BBGD CC(C)c1cc(C(=O)NNC(=O)CO)on1 753444905 RQFRKMXZJRSYHD-UHFFFAOYSA-N 227.220 -0.449 50 20 BBGD O=C1CC[C@H](C(=O)NNc2ccccn2)N1 777470450 UDOXVXUWEWXOIF-SSDOTTSWSA-N 220.232 -0.197 50 20 BBGD O=C(NNC(=O)[C@@H]1CCCO1)[C@H]1CCOC1 792625638 YTUQYEFLGLGSDW-YUMQZZPRSA-N 228.248 -0.651 50 20 BBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@@H]1CCOC1 792625852 HIIGYXMADLIBFN-YIZRAAEISA-N 242.275 -0.405 50 20 BBGD CC(C)NC(=O)C(=O)NN=C1COCCOC1 814777077 NWFITSCDUWLCAM-UHFFFAOYSA-N 243.263 -0.970 50 20 BBGD COCCN(C)NC(=O)[C@H](NC(C)=O)C(C)C 816560938 GJLXTIXUXRZJRM-SNVBAGLBSA-N 245.323 -0.244 50 20 BBGD N#C[C@H]1COCCN1S(=O)(=O)CCl 820793142 RMDJCRGZUXCCPJ-LURJTMIESA-N 224.669 -0.263 50 20 BBGD CCN(CCO)NC(=O)c1csnn1 823846938 PHHDATBUFPNMMJ-UHFFFAOYSA-N 216.266 -0.503 50 20 BBGD CCN(CCO)NC(=O)/C=C/[C@@H]1CCOC1 823889520 ZQEWRUZQNTVDKT-HMDXOVGESA-N 228.292 -0.076 50 20 BBGD Cc1ccnn1CC(=O)NNC(=O)C(C)C 858143812 XBUYGWFRFWKSHJ-UHFFFAOYSA-N 224.264 -0.005 50 20 BBGD CC1(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)CCC1 862455903 KJKAJHXARQERLD-ZETCQYMHSA-N 239.275 -0.397 50 20 BBGD C[C@]1(C(=O)NCC(N)=O)C[C@H]1Br 905862941 AUMACRVAVWOFIF-FBCQKBJTSA-N 235.081 -0.239 50 20 BBGD COC(=O)C(=O)NNC(=O)NCC=C(C)C 1324495064 CIIFDHUVHPQRJX-UHFFFAOYSA-N 229.236 -0.544 50 20 BBGD C[C@@H](CO)N(C)NC(=O)c1ccc(C(=O)O)[nH]1 1604202527 LQUBWBWPWNYFCD-LURJTMIESA-N 241.247 -0.330 50 20 BBGD O=C(O)C(=O)NN=Cc1c[nH]c(C(=O)O)c1 1610714331 OUJRCGODIJMXAE-UHFFFAOYSA-N 225.160 -0.752 50 20 BBGD CC(=O)NN[C@@H](Cc1ccc(F)cc1)C(N)=O 273000035 MOHZQGIDJOYODN-JTQLQIEISA-N 239.250 -0.137 50 20 BBGD C[C@H](O)C(=O)NNC(=O)NCC(F)(F)F 281379255 XDPCFUDULGFNCO-VKHMYHEASA-N 229.158 -0.740 50 20 BBGD C[C@@H]1C[C@@H](NC(=O)c2ccc(B(O)O)cc2)CO1 585003031 GARMDAXNULTZDU-LDYMZIIASA-N 249.075 -0.726 50 20 BBGD N#CCCCNCc1ccc(B(O)O)o1 585035487 UVCHHYDKSVEYRT-UHFFFAOYSA-N 208.026 -0.647 50 20 BBGD COc1cc(OC)cc(C(=O)NCB(O)O)c1 585056774 AWJQYTLJFQHYST-UHFFFAOYSA-N 239.036 -0.554 50 20 BBGD CC(=O)NC(C)(C)C(=O)NNC(=O)C(C)C 726767165 GNYAGCHIUMXXFI-UHFFFAOYSA-N 229.280 -0.296 50 20 BBGD CC(=O)NN[C@@H](Cc1ccccc1)C(N)=O 758139461 WBQYVNQOPFREOV-JTQLQIEISA-N 221.260 -0.276 50 20 BBGD COc1cc(C=NNC(=O)C(N)=O)ccc1C 772990196 KZQARVYWQFDJPK-UHFFFAOYSA-N 235.243 -0.061 50 20 BBGD CN(C)CC(=O)NNC(=O)[C@]1(C)CCCOC1 781423683 WXDVBTIYPOLNKW-LLVKDONJSA-N 243.307 -0.488 50 20 BBGD CC(=NNC(=O)c1cnn(C)c1)c1cnnn1C 814852086 IZTOWFKUZLUDOO-UHFFFAOYSA-N 247.262 -0.297 50 20 BBGD CCN(CCO)NC(=O)C[C@@](C)(O)C1CC1 823869758 PHIQDHPIKHRFST-LLVKDONJSA-N 230.308 -0.117 50 20 BBGD C[C@@H]1OCC[C@@H]1C(=O)NN(C)[C@H](C)CO 823940481 YFEFJFYLJMNPMB-VGMNWLOBSA-N 216.281 -0.245 50 20 BBGD COC(=O)N(C)NC(=O)[C@@H]1CCCN1C=O 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NKLSJIXPWZYDBB-RQJHMYQMSA-N 243.263 -0.210 50 20 BBGD CC(=O)NCCNS(=O)(=O)CCl 82512242 UPQUJFQWFIEFKO-UHFFFAOYSA-N 214.674 -0.762 50 20 BBGD CO[C@@H]1CN(C(=O)[C@H](C)Cl)C[C@H]1O 307017635 WDRLIINWLUWPMO-RRKCRQDMSA-N 207.657 -0.168 50 20 BBGD CN(NC(=O)CNCC(F)(F)F)C(N)=O 380294652 CLRANFIJUPXXGS-UHFFFAOYSA-N 228.174 -0.820 50 20 BBGD CCO[C@H]1C[C@@H]1NCc1ccccc1B(O)O 585038359 BHINLHMFXAFGCU-RYUDHWBXSA-N 235.092 -0.367 50 20 BBGD C#CCN1CCC[C@H]1C(=O)NNC(=O)C(C)C 730272282 BGUSEEKMZBAFCC-JTQLQIEISA-N 237.303 -0.113 50 20 BBGD CCCNC(=O)NNC(=O)[C@@H]1C[C@H]1C(=O)O 737028834 QCAMQUZSSCJDRH-PHDIDXHHSA-N 229.236 -0.553 50 20 BBGD CC(C)(C)C(=O)NNC(=O)CN1CC[C@H](O)C1 744398991 CPDHGAVQMRPZJF-QMMMGPOBSA-N 243.307 -0.754 50 20 BBGD CNC(=O)NNC(=O)[C@@H](O)c1ccccc1 746159307 HNHSVSLLLLVJKE-QMMMGPOBSA-N 223.232 -0.320 50 20 BBGD O=C(CO)NNC(=O)[C@@H]1Cc2ccccc21 753444373 LWYGBZJETSSIFU-SECBINFHSA-N 220.228 -0.534 50 20 BBGD Cn1cc(C(=O)NN=c2cc[nH]cc2)cn1 780761841 GLAIIZXPVLKUSL-UHFFFAOYSA-N 217.232 -0.006 50 20 BBGD C[C@@H](CO)N(C)NC(=O)COCC1CC1 823970835 LQOYOULZRJBNOW-QMMMGPOBSA-N 216.281 -0.243 50 20 BBGD O=S(=O)(CCl)O[C@H]1CNOC1 845933974 PYTMCJNMWGLLCV-BYPYZUCNSA-N 201.631 -0.568 50 20 BBGD O=C(C[C@H]1CCOC1)NNC(=O)c1cc[nH]n1 855356865 TVGBAYOCBPYWJR-SSDOTTSWSA-N 238.247 -0.403 50 20 BBGD CO[C@H](C)C(C)=NNC(=O)[C@H]1CCC(=O)N1 863149000 OLRMCDAJGZMYPY-HTQZYQBOSA-N 227.264 -0.208 50 20 BBGD CNC(=O)NNC(=O)c1cnn(CC2CC2)c1 864992441 HMFYSENKHCVSIU-UHFFFAOYSA-N 237.263 -0.133 50 20 BBGD COC(=O)CCCC(=O)NNC(=O)NC1CC1 874193998 MELJRDWQHBZORP-UHFFFAOYSA-N 243.263 -0.178 50 20 BBGD COC(=O)N(C)NC(=O)NC[C@H]1CCCN1C 875153276 XXIXKVPIESBTBV-MRVPVSSYSA-N 244.295 -0.007 50 20 BBGD O=C(NNC(=O)[C@H]1[C@H]2C(=O)CC[C@H]21)NC1CC1 906417859 WZBLDMNEGLMONA-FTLITQJKSA-N 237.259 -0.296 50 20 BBGD C[C@H](O)CN(C)NC(=O)CN(C)C(=O)C1CC1 910168347 SNYQLUGUQKSMKY-QMMMGPOBSA-N 243.307 -0.801 50 20 BBGD C[C@@H](CO)N(C)NC(=O)c1cnc2[nH]ncc2c1 1123903708 VLQIDLTZGVBIBW-ZETCQYMHSA-N 249.274 -0.085 50 20 BBGD COC(=O)C(=O)NNC(=O)NOC1CCCC1 1319813612 ZQRAEDUOAACHAH-UHFFFAOYSA-N 245.235 -0.636 50 20 BBGD C[C@H](CN)C(=O)NNc1nncc(N)c1Cl 1327119887 CBQAOJZLLTUEOJ-SCSAIBSYSA-N 244.686 -0.250 50 20 BBGD CO[C@H](C)C(=O)N1CC[C@@H](B(O)O)C1 1329291700 GJFSKVNKRQSDIP-RNFRBKRXSA-N 201.031 -0.903 50 20 BBGD Cn1nccc1C(=O)N1CC[C@@H](B(O)O)C1 1335434749 WJEDOTOBIFTIDT-SSDOTTSWSA-N 223.041 -0.891 50 20 BBGD Cc1noc(C)c1CCC(=O)NNC(=O)CO 1337722583 YPBYUIQMENODNR-UHFFFAOYSA-N 241.247 -0.636 50 20 BBGD C[C@@H](CC(=O)O)NC(=O)NNc1cccnn1 1603125315 GLEJLRAQDSIFHY-LURJTMIESA-N 239.235 -0.034 50 20 BBGD CC(C)(C)CC(=O)NNC(=O)c1nc(=O)[nH][nH]1 103197552 KRVGUFAWXPADSS-UHFFFAOYSA-N 241.251 -0.705 50 20 BBGD COc1cc(C(=O)NNC(=O)CO)ccc1C 180956338 IXXUOEYMRRTXEN-UHFFFAOYSA-N 238.243 -0.243 50 20 BBGD O=C(CCl)N1C[C@H](O)[C@H](n2cccn2)C1 409434802 QQQOPRJMRLPILR-SFYZADRCSA-N 229.667 -0.134 50 20 BBGD O=C(CO)NNC(=O)CCn1cccc1 753438540 NIUBPKPOWRRJIC-UHFFFAOYSA-N 211.221 -0.982 50 20 BBGD C#CCOCCC(=O)NNC(=O)N(C)C 755773945 DKTNVLGYGNAGBT-UHFFFAOYSA-N 213.237 -0.671 50 20 BBGD COCCOCC(=O)NN=C1CCO[C@H]1C 872402413 ZRWGEUYUDIMCIN-QMMMGPOBSA-N 230.264 -0.070 50 20 BBGD CNC(=O)NNC(=O)CN1CCCC1 874168560 DEAMCWOAODUOOT-UHFFFAOYSA-N 200.242 -0.958 50 20 BBGD COC(=O)[C@H](NNC(C)=O)c1cccnc1 1116322372 DZHPUNCLQKNITO-SECBINFHSA-N 223.232 -0.064 50 20 BBGD COC(=O)C(=O)NN=C(C)c1cn(C)c(C)n1 1344640635 YJODHTHPUBSGOP-UHFFFAOYSA-N 238.247 -0.258 50 20 BBGD C[C@@H](NC(=S)NNC(=O)CC(=O)O)C1CC1 1593189665 IROJSIDIAIOMLA-RXMQYKEDSA-N 245.304 -0.245 50 20 BBGD C[C@@H]1CC[C@@H](NC(=O)NNC(=O)C(=O)O)C1 1594312601 CTKGZYAFMHDLGG-PHDIDXHHSA-N 229.236 -0.410 50 20 BBGD CNC(=O)CNS(=O)(=O)CCCCl 36881231 QUCWJFWIUAHFNC-UHFFFAOYSA-N 228.701 -0.719 50 20 BBGD Cc1ccn(C)c1C(=O)NNC(=O)C(C)(C)O 278008361 RPVMHELAYJLSPN-UHFFFAOYSA-N 239.275 -0.135 50 20 BBGD CN(NC(=O)CSCC#N)C(N)=O 379387563 HRVOZFUMXZVJNW-UHFFFAOYSA-N 202.239 -0.715 50 20 BBGD OB(O)c1ccc(CN[C@@H]2CCCOC2)o1 585038235 XFGYMULNKBCZLO-MRVPVSSYSA-N 225.053 -0.772 50 20 BBGD O=C(NCB(O)O)c1ccnn1-c1ccccc1 585063150 UWCHYXUHHVDNJC-UHFFFAOYSA-N 245.047 -0.386 50 20 BBGD CCNC(=O)N(C)N=Cc1cnnn1C 769593089 YZAQZFXMAVGILL-UHFFFAOYSA-N 210.241 -0.190 50 20 BBGD COCC(=O)NNc1ccc(-n2ccnc2)nn1 788177619 KKXZNWPJDKVHPN-UHFFFAOYSA-N 248.246 -0.248 50 20 BBGD Cc1nonc1CC(=O)NN(C)[C@@H](C)CO 823916895 AUQFJTSBZZLAAU-LURJTMIESA-N 228.252 -0.736 50 20 BBGD C[C@@H](CO)N(C)NC(=O)c1cccc(C#N)n1 823923710 URMFYDKQZCCYBJ-QMMMGPOBSA-N 234.259 -0.089 50 20 BBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)C1(C)COC1 843661517 MFRMRYRNVRYGFR-SFYZADRCSA-N 242.275 -0.405 50 20 BBGD C=C[C@@](C)(O)C(=O)NNC(=O)C(C)C 854213496 HFKGYXXAVHIIJY-SECBINFHSA-N 200.238 -0.273 50 20 BBGD O=C(NNC(=O)[C@H](O)C1CC1)[C@@H]1CCCCO1 854684195 ZMUQWVDGHDFZAI-DTWKUNHWSA-N 242.275 -0.526 50 20 BBGD CNC(=O)C1(C(=O)NN=c2cc[nH]c(C)c2)CC1 862511097 GIUHMHBVXUSALN-UHFFFAOYSA-N 248.286 -0.219 50 20 BBGD COC(=O)/C(C#N)=C\c1cn(C)c(=O)n(C)c1=O 884003317 LDXYTCARIKCPPH-DAXSKMNVSA-N 249.226 -0.836 50 20 BBGD CCn1cc(/C=C(\C#N)C(=O)NC)nn1 899341967 NUMGOVMRZFTRIN-QPJJXVBHSA-N 205.221 -0.049 50 20 BBGD CC(C)C[C@H](C(N)=O)C(=O)NN(C)C[C@@H](C)O 910147868 VTQLBLZNKBHACY-RKDXNWHRSA-N 245.323 -0.522 50 20 BBGD Cc1cc(CC(=O)NN(C)C[C@@H](C)O)no1 910168170 QFIDPHRQCSZHOM-SSDOTTSWSA-N 227.264 -0.131 50 20 BBGD NC(=O)c1cccc(C(=O)NNc2nc[nH]n2)c1 1117760061 KUJIPEJWDOJHKP-UHFFFAOYSA-N 246.230 -0.340 50 20 BBGD CNC(=O)NNc1nc(O)c2cnn(C)c2n1 1324113490 FTOQRGRUANUSMX-UHFFFAOYSA-N 237.223 -0.675 50 20 BBGD C[C@@H]1CS(=O)(=O)C[C@@H]1NC=C(C#N)C#N 1331233821 MTQPWRHHZVWKFU-APPZFPTMSA-N 225.273 -0.060 50 20 BBGD CC1(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)CC1 1331691716 PDSPGUIKLYAOAY-LURJTMIESA-N 225.248 -0.788 50 20 BBGD CO[C@H]1CCC[C@@H]1C(=O)NNC(C)=O 1336748555 HILNZOLCUSHNBN-YUMQZZPRSA-N 200.238 -0.031 50 20 BBGD CN(C)c1ncc(C=NNC(=O)CCO)n1C 1347383905 ORJCQYFZOMVPAF-UHFFFAOYSA-N 239.279 -0.681 50 20 BBGD Cc1cc(C(=O)NNC(=O)[C@H]2C[C@H]2F)n[nH]1 1349382399 XCPOXGAOVRLSED-NTSWFWBYSA-N 226.211 -0.163 50 20 BBGD O=C(NNC(=O)[C@H]1C[C@H]1F)c1cc[nH]n1 1521733777 YWPWWIFUFTWWGI-CRCLSJGQSA-N 212.184 -0.471 50 20 BBGD C=C(Cl)C[C@H](N)C(=O)NN(C)[C@@H](C)CO 1574067185 LWTBPSILFGZERO-YUMQZZPRSA-N 235.715 -0.200 50 20 BBGD NC[C@H](O)C(=O)NNc1cccc(Cl)n1 1580328644 KIFOXGJQCIQDHR-YFKPBYRVSA-N 230.655 -0.502 50 20 BBGD CC[C@H]1CC(=NNC(=O)NCC(=O)O)CO1 1595407750 JOUXOTUNQHXYIW-ZETCQYMHSA-N 229.236 -0.075 50 20 BBGD C=C[C@H](NNC(=O)c1ccccn1)C(=O)O 1602819162 PDMHNMOCPKQTIE-ZETCQYMHSA-N 221.216 -0.045 50 20 BBGD O=C(C[n+]1ccccc1)NN=C1CC(C(=O)O)C1 1776058166 KXUJIMLQAWOBGY-UHFFFAOYSA-O 248.262 -0.059 50 20 BBGD CCOC(=O)NNC(=O)NCCOC 42843045 YNTCMNTUQSPHHH-UHFFFAOYSA-N 205.214 -0.407 50 20 BBGD N#Cc1ccc(OCC(=O)NNC(N)=O)cc1 73189033 JMFKDYQNEVDOMH-UHFFFAOYSA-N 234.215 -0.363 50 20 BBGD CC[C@@H](C(=O)NN)N1CCO[C@H](CC)C1 82467636 VKDJBYPZYYKZEG-BDAKNGLRSA-N 215.297 -0.134 50 20 BBGD Cn1cc(C(=O)NNC(=O)CC2CC2)cn1 117679462 GVLUMTPPSFNMEF-UHFFFAOYSA-N 222.248 -0.019 50 20 BBGD COc1nccnc1NNC(=O)c1cc[nH]n1 131993950 IELHKZKDEOMFLC-UHFFFAOYSA-N 234.219 -0.035 50 20 BBGD O=C(NCB(O)O)c1csc([N+](=O)[O-])c1 585061147 QMGCSIGWLSDAHW-UHFFFAOYSA-N 230.010 -0.602 50 20 BBGD O=C(NNC(=O)[C@@H]1C[C@H]1C(=O)O)c1ccoc1 739454052 OGQWUQWVLZHSEX-RNFRBKRXSA-N 238.199 -0.239 50 20 BBGD Cn1cncc1C(=O)NNC(=O)c1ccccn1 763874293 HHHVEJGZIHCDHO-UHFFFAOYSA-N 245.242 -0.110 50 20 BBGD CCCOCC(=O)NNc1cnnn1C 816771694 WZZNOMSATJWINN-UHFFFAOYSA-N 213.241 -0.315 50 20 BBGD C=CCNC(=S)NNC(=O)[C@H]1CC(C)=NO1 854185849 MSVACWRQDDXHIZ-SSDOTTSWSA-N 242.304 -0.168 50 20 BBGD COC(=O)CC(=O)NNC(=S)NC(C)(C)C 905341814 CETCBPLCOGRXNK-UHFFFAOYSA-N 247.320 -0.157 50 20 BBGD Cc1ccnn1CC(=O)NN(C)C[C@@H](C)O 910141093 WZPMHNUEEQKMJJ-SECBINFHSA-N 226.280 -0.465 50 20 BBGD CNC(=O)NNC(=O)C1(O)Cc2ccccc2C1 1318913557 PHBXBUNFULRMIL-UHFFFAOYSA-N 249.270 -0.524 50 20 BBGD CC(C)NC(=O)C(=O)NNC(=S)NC(C)C 1321561508 JNIQAQQPSJNFOK-UHFFFAOYSA-N 246.336 -0.585 50 20 BBGD CC(=O)N[C@H](C)C(=O)NNc1ncncc1F 1324304852 PCBJDJFZFPRZBT-RXMQYKEDSA-N 241.226 -0.417 50 20 BBGD CCn1cnc(C(=O)N2CC[C@H](B(O)O)C2)c1 1329294023 VUAKKHVGOKSAMB-QMMMGPOBSA-N 237.068 -0.408 50 20 BBGD O=C(NNC(=O)c1cn[nH]c1)NOC1CCC1 1334936209 QMQBOAJKSMVDFF-UHFFFAOYSA-N 239.235 -0.162 50 20 BBGD O=C(C[C@H]1CCCO1)N1CC[C@H](B(O)O)C1 1335431465 JYKZGNDTZONVIT-DTWKUNHWSA-N 227.069 -0.369 50 20 BBGD C[C@@]1(C(=O)NNC(=O)NC2CC2)CCOC1 1337753705 UBDYWTQLZKECCT-SNVBAGLBSA-N 227.264 -0.094 50 20 BBGD NCC(=O)NN=c1cc[nH]c2cccnc12 1574270225 ACMSWRWOBRRGMI-UHFFFAOYSA-N 217.232 -0.547 50 20 BBGD C[C@H](N)CC(=O)NNC(=O)c1cnsn1 1579477903 ACCWBJBZZHYZAQ-BYPYZUCNSA-N 229.265 -0.964 50 20 BBGD CCOC(=O)/C(C#N)=C\NCCOCC(=O)O 1605503538 BSBIXBIQCWKRRO-VURMDHGXSA-N 242.231 -0.352 50 20 BBGD O=S(=O)(CCl)NC[C@@H](O)C1CC1 82513389 WVTBTLMQONPNQW-ZCFIWIBFSA-N 213.686 -0.127 50 20 BBGD COCCC(=O)NNC(=O)NCC(F)(F)F 170738517 PFGDEDLKJSJPIM-UHFFFAOYSA-N 243.185 -0.084 50 20 BBGD O=C(CO)NNC(=O)CCC1CCC1 182758561 XJTMZLANLWIBCB-UHFFFAOYSA-N 200.238 -0.294 50 20 BBGD COCOc1cc(OC)ccc1B(O)O 196841154 OOKSTPITTUKNKA-UHFFFAOYSA-N 212.010 -0.642 50 20 BBGD CSCCNC(=S)NNC(=O)CC#N 274800608 NAEGGIRLHWXBHD-UHFFFAOYSA-N 232.334 -0.242 50 20 BBGD N#CC1(CNC(=O)c2ccc(B(O)O)cc2)CC1 584984723 XVCQISSLNHNUKJ-UHFFFAOYSA-N 244.059 -0.600 50 20 BBGD O=C(NCB(O)O)c1cc(-n2cccn2)ccn1 585061734 ZKEPDAPZBJZYMK-UHFFFAOYSA-N 246.035 -0.991 50 20 BBGD CNC(=O)NNC(=O)CCCn1ccnc1C 727646955 NSQDBHIRDGLOLY-UHFFFAOYSA-N 239.279 -0.068 50 20 BBGD C[C@@H]1C[C@@H]1C(=O)NNC(=O)c1cn[nH]c1 730592406 LTRZQVSDKHTFAZ-VDTYLAMSSA-N 208.221 -0.173 50 20 BBGD O=C(NNC(=O)c1ncccn1)c1cccnc1 735838067 UONZENICULPSRV-UHFFFAOYSA-N 243.226 -0.054 50 20 BBGD CC[C@H](CO)C(=O)NNC(=O)c1cnn(C)c1 779787051 SWXFDFMHRYIAME-SSDOTTSWSA-N 240.263 -0.800 50 20 BBGD COC(=O)CNC(=O)NN=C(C)[C@H]1CCOC1 779818411 PYMIYRXZMSYQRD-QMMMGPOBSA-N 243.263 -0.129 50 20 BBGD C[C@H]1C[C@H](C(=O)NNC(=O)NC2CC2)CO1 784149752 RZACXFBMHRLGNB-BQBZGAKWSA-N 227.264 -0.096 50 20 BBGD C=CCNC(=S)NNC(=O)[C@H]1CCN(C)C1 798305553 UVAINUPAVPAKAX-QMMMGPOBSA-N 242.348 -0.381 50 20 BBGD Cn1cc(C=NNC(=O)C(F)F)c(O)n1 814227159 QRZZMSJPTUDBHZ-UHFFFAOYSA-N 218.163 -0.159 50 20 BBGD C=C[C@](C)(O)C(=O)NNC(=O)NC1CC1 823767591 HYROMDJOCLXXGF-VIFPVBQESA-N 213.237 -0.584 50 20 BBGD CCN(CCO)NC(=O)c1cn(C)nc1C 823860694 YQEDRGBBRYVMSS-UHFFFAOYSA-N 226.280 -0.312 50 20 BBGD C[C@H](CO)N(C)NC(=O)[C@@]1(O)CCSC1 823939368 JUIOPXMNDZNSBZ-VXNVDRBHSA-N 234.321 -0.802 50 20 BBGD Cc1nonc1CC(=O)NNC(=O)NC1CC1 845298171 BTVCSTVZKSJPKL-UHFFFAOYSA-N 239.235 -0.587 50 20 BBGD CNC[C@@H](C)NC(=O)NNc1cccnn1 851681661 QLUAINXNLPSWNS-SSDOTTSWSA-N 224.268 -0.289 50 20 BBGD Cc1cc(=NNC(=O)C[C@H]2CC(=O)N2)cc[nH]1 862515107 JJDZHRGCBQCWTL-SECBINFHSA-N 234.259 -0.466 50 20 BBGD CC(C)ONC(=O)c1cc(B(O)O)ccc1F 863883670 IYFJCLMUGZBCIZ-UHFFFAOYSA-N 241.027 -0.425 50 20 BBGD COCCOCC(=O)NNC(=O)CCCF 869903090 JBQVSOTYHRMUSD-UHFFFAOYSA-N 236.243 -0.454 50 20 BBGD COc1cc(C(=O)NN(C)C[C@H](C)O)on1 910151491 FVRCGJIXZBWLCB-LURJTMIESA-N 229.236 -0.359 50 20 BBGD Cn1ncnc1C=NNC(=O)C(F)F 1118170370 MBRCLWKJJSKFBN-UHFFFAOYSA-N 203.152 -0.470 50 20 BBGD O=C1C[C@@H](C(=O)NNc2ncccn2)CCN1 1319685637 IKNPDPAUBUJSEW-ZETCQYMHSA-N 235.247 -0.554 50 20 BBGD C=CCNC(=S)NNC(=O)CCC(=O)O 1588465465 LBDYFVQLULODGG-UHFFFAOYSA-N 231.277 -0.468 50 20 BBGD CC(=O)NNS(=O)(=O)c1ccco1 307749950 IMJBLFCNLFBQJE-UHFFFAOYSA-N 204.207 -0.391 50 20 BBGD C[C@H](CF)NCc1ccc(B(O)O)cc1F 585041064 MOGKNFQGATXJOS-SSDOTTSWSA-N 229.035 -0.047 50 20 BBGD Cn1ccc(C(=O)NNC(=O)c2ccccn2)n1 727363984 DBMXRPZOZQKPJX-UHFFFAOYSA-N 245.242 -0.110 50 20 BBGD CO[C@H](C)C(=O)NNC(=O)C1CCC1 732141640 LRYHNQQALXHYSL-ZCFIWIBFSA-N 200.238 -0.031 50 20 BBGD CCC(=O)NNC(=O)[C@H](C)N1CCCOCC1 732200534 YQEXROVUXVNQKW-VIFPVBQESA-N 243.307 -0.345 50 20 BBGD C#CCCCC(=O)NNC(=O)CC(=O)OCC 757793344 OVMGKTYJOYVHDT-UHFFFAOYSA-N 240.259 -0.110 50 20 BBGD CNC(=O)NNC(=O)C(=O)N1CCC(C)CC1 769687745 DHMBSUOUQPIRTR-UHFFFAOYSA-N 242.279 -0.795 50 20 BBGD O=C(Cn1cccn1)NN=c1cc[nH]cc1 780754848 CUWVAZLJLXHGTP-UHFFFAOYSA-N 217.232 -0.157 50 20 BBGD Cc1ncc(C(=O)NN=c2cc[nH]cc2)c(N)n1 780761241 RQDQEGPFOAZLDQ-UHFFFAOYSA-N 244.258 -0.059 50 20 BBGD C=C[C@@H](O)C(=O)NNC(=O)NCC1CC1 823803846 GJBCVQGHHLUDNQ-SSDOTTSWSA-N 213.237 -0.726 50 20 BBGD C[C@H](CO)N(C)NC(=O)CCCC(=O)N(C)C 823959358 GXAOQMHINYGFNC-SECBINFHSA-N 245.323 -0.411 50 20 BBGD CC(C)[C@@H](F)C(=O)NNC(=O)c1ncon1 832825739 FZIRSHNNDYZXQJ-RXMQYKEDSA-N 230.199 -0.175 50 20 BBGD COC/C(C)=C\C(=O)NNC(=O)N(C)C 845337638 ZPQOMPXNDRQQNW-ALCCZGGFSA-N 215.253 -0.119 50 20 BBGD CC(=NNC(=O)C(=O)NC1CC1)c1cnc[nH]1 853282782 QJMCPBFFSRTAQX-UHFFFAOYSA-N 235.247 -0.472 50 20 BBGD Cc1ccnn1CC(=O)NNC(=O)NC(C)C 858865685 MAHSNRIAKRUMRP-UHFFFAOYSA-N 239.279 -0.070 50 20 BBGD COc1cc(NC(=O)NNC(C)=O)[nH]n1 861382335 XALYLUKFRJLZIP-UHFFFAOYSA-N 213.197 -0.409 50 20 BBGD O=C(CO)NNC(=O)[C@@H]1[C@H]2Cc3ccccc3[C@@H]21 863903259 ACUMEVAOROCQFG-ZMLRMANQSA-N 246.266 -0.288 50 20 BBGD CCC(=O)NNS(=O)(=O)c1c(C)n[nH]c1C 916108861 OXCPZLVJMAOBGF-UHFFFAOYSA-N 246.292 -0.254 50 20 BBGD CC(=NNC(=O)C(N)=O)c1ccc(C#N)cc1 916272195 DETLXPKAQLQISU-UHFFFAOYSA-N 230.227 -0.116 50 20 BBGD CC[C@@](C)(O)C(=O)NNC(=O)NCCCOC 930733499 UOCAYNNORXRVSM-SNVBAGLBSA-N 247.295 -0.486 50 20 BBGD NC(=O)[C@@H]1CC[C@@H]1C(=O)NNc1ncccn1 1118369233 XWIPZAACUMHFEM-RQJHMYQMSA-N 235.247 -0.569 50 20 BBGD CN(C)CC(=O)NNC(=O)CCc1ccon1 1328987052 DNGBVVXQMDETHZ-UHFFFAOYSA-N 240.263 -0.684 50 20 BBGD CN(NC(=O)Nc1ccc(=O)n(C)n1)C1CC1 1330719105 HDFNLMZIKNHEIP-UHFFFAOYSA-N 237.263 -0.089 50 20 BBGD CC[C@H](CO)C(=O)NNC(=O)C1CCOCC1 1354180665 GDNQCVYOCVJTOM-MRVPVSSYSA-N 244.291 -0.421 50 20 BBGD C[C@@H]1[C@@H](C(=O)NN(C)C(N)=O)C1(F)F 1528080242 VXZXLVPWXLBAEE-DMTCNVIQSA-N 207.180 -0.071 50 20 BBGD CC(=O)NNC(=O)c1cnc(N)s1 1575015432 SLXVWKSFMCMSQB-UHFFFAOYSA-N 200.223 -0.494 50 20 BBGD CN(C)CC(=O)NNC(=O)NC1CC1 263857870 CAPKFBUIHLRCRI-UHFFFAOYSA-N 200.242 -0.959 50 20 BBGD CCNC(=O)NCCNC(=O)CCl 308311368 RTGZOSDUALDJLS-UHFFFAOYSA-N 207.661 -0.340 50 20 BBGD Cc1nc(CNCc2ccccc2B(O)O)n[nH]1 585032938 ROYQSNAPJHWAIP-UHFFFAOYSA-N 246.079 -0.917 50 20 BBGD CC[C@H](C(=O)NNC(=O)NC)N1CCCC1=O 746158984 CKGCIBCHOHGMET-SSDOTTSWSA-N 242.279 -0.652 50 20 BBGD O=C(Cc1cc[nH]n1)NNC(=O)NCC1CC1 746167833 ZPTSZWRRYLAONS-UHFFFAOYSA-N 237.263 -0.307 50 20 BBGD O=C(CO)NNC(=O)c1csc2cncn12 753444298 IWYBYHVXJQTMEA-UHFFFAOYSA-N 240.244 -0.851 50 20 BBGD CCNC(=O)NNC(=O)C1(CC)COC1 755237677 LKYKDYKQEPQQFF-UHFFFAOYSA-N 215.253 -0.237 50 20 BBGD CCC(=O)N[C@@H](C)C(=O)NNC(=O)OC 765853869 WGVIANIGPHKJJB-YFKPBYRVSA-N 217.225 -0.712 50 20 BBGD COCC(C)(C)C(=O)NNC(=O)C(C)(C)O 768241656 PHDHZSHPNRQYKB-UHFFFAOYSA-N 232.280 -0.423 50 20 BBGD CC(C)(O)C(=O)NNC(=O)CC[C@@H]1CCCO1 768260840 GRZWEGXYHVUDJO-QMMMGPOBSA-N 244.291 -0.136 50 20 BBGD CC(=NNC(=O)C(N)=O)[C@@]1(C)CCCO1 782119568 LCEBPHYAQGIWGW-SECBINFHSA-N 213.237 -0.467 50 20 BBGD CC(C)C(=O)NNC(=O)[C@H]1CCCC(=O)N1 799520184 NFQACGDATWJZLX-SSDOTTSWSA-N 227.264 -0.542 50 20 BBGD C[C@@](O)(C(=O)NNC(=O)c1ccc[nH]1)C1CC1 804182619 AFMFIWDTMWUWJI-NSHDSACASA-N 237.259 -0.063 50 20 BBGD CC(=NNC(=O)C(N)=O)c1cc(N)ccc1F 814696915 QXRMLVVCQNQDIV-UHFFFAOYSA-N 238.222 -0.267 50 20 BBGD Cn1cc(C=NNC(=O)c2cnccn2)cn1 818285608 GANHXMWYRMIZIF-UHFFFAOYSA-N 230.231 -0.026 50 20 BBGD COC(OC)C(=O)NNC(=O)[C@H]1CCCCO1 823237226 PNIKZGNCVDONJL-SSDOTTSWSA-N 246.263 -0.678 50 20 BBGD CCN(CCO)NC(=O)c1cnc(OC)nc1 823860557 VNVPYFQSLIBNHQ-UHFFFAOYSA-N 240.263 -0.556 50 20 BBGD C[C@@H](CO)N(C)NC(=O)c1cnn(CCF)c1 823923937 VQVGJPMPSRNEEI-QMMMGPOBSA-N 244.270 -0.190 50 20 BBGD C#CCNC(=O)NNC(=O)[C@H]1CCO[C@@H]1C 825534130 GJOZUQOSNBVLCZ-SFYZADRCSA-N 225.248 -0.625 50 20 BBGD O=C(CO)NNC(=O)c1cnn(CC2CC2)c1 879395154 ACGKOHGJGBMHDO-UHFFFAOYSA-N 238.247 -0.954 50 20 BBGD O=C(CO)NNC(=O)c1cccc2c1OCC2 897606789 UDSYBAITYNNARU-UHFFFAOYSA-N 236.227 -0.625 50 20 BBGD CC[C@H](O)[C@H](C)C(=O)NN(C)C[C@@H](C)O 910141185 QHYZRXYHDKIVSU-VGMNWLOBSA-N 218.297 -0.263 50 20 BBGD C[C@@H]1COC[C@@H]1NC(=O)c1ccc(B(O)O)cc1 928883156 HQKOFAQWJJOWSC-KCJUWKMLSA-N 249.075 -0.869 50 20 BBGD CN(NC(=O)C[C@@H]1CC(=O)NC1=O)C1CC1 1119899719 GANRSEVUWWDLKK-LURJTMIESA-N 225.248 -0.835 50 20 BBGD O=C(Cc1cc[nH]n1)NNC(=O)[C@H]1C[C@@H]1F 1123650799 FDNMBUSHHQTBLX-BQBZGAKWSA-N 226.211 -0.542 50 20 BBGD C=C[C@H](COC)NC(=O)NNC(=O)COCC 1320439687 PJSVVITUXXGUAI-MRVPVSSYSA-N 245.279 -0.446 50 20 BBGD Cc1nonc1CC(=O)NNC(=O)N(C)C 1328672108 SQWCKXQOTUCDIM-UHFFFAOYSA-N 227.224 -0.777 50 20 BBGD CON=CC(=O)NNc1ncc(F)cn1 1329824183 MTZFDNPBSOMFEF-UHFFFAOYSA-N 213.172 -0.309 50 20 BBGD O=C(NNC(=O)c1cn[nH]c1)C1=CCOCC1 1335330344 UODFGORTIDMFRY-UHFFFAOYSA-N 236.231 -0.483 50 20 BBGD CN(C)C(=O)NNC(=O)C1(C(=O)O)CC=CC1 1593687045 QQGHEFZLWNFDRF-UHFFFAOYSA-N 241.247 -0.290 50 20 BBGD C[C@H](C(=O)O)C(=O)NNC(=O)c1ccncc1 1602803830 AKUAEDZWFATOAQ-LURJTMIESA-N 237.215 -0.437 50 20 BBGD CC(=NNC(=O)NCC(=O)O)c1ncc[nH]1 1602990995 URBBOFVZFYJDAS-UHFFFAOYSA-N 225.208 -0.483 50 20 BBGD O=C(O)C(=O)NN=Cc1ccc([N+](=O)[O-])o1 1608530903 LWGILACSKVUUPY-UHFFFAOYSA-N 227.132 -0.278 50 20 BBGD CCNC(=S)NNC(=O)NC1CC1 64372187 NZBVGMAZOYRQBC-UHFFFAOYSA-N 202.283 -0.153 50 20 BBGD CC(=O)[C@@H]1C[C@H](C(=O)NNC(=O)CO)C1(C)C 121727020 KUTPBPBDLCKCBJ-JGVFFNPUSA-N 242.275 -0.623 50 20 BBGD COCCC(=O)NNc1nccnc1OC 132040362 DONCMZQATPBUBF-UHFFFAOYSA-N 226.236 -0.035 50 20 BBGD CN(NC(=O)CNC(=O)OC(C)(C)C)C(N)=O 271237672 AQWUVCVYEYYGDR-UHFFFAOYSA-N 246.267 -0.447 50 20 BBGD CC(C)[C@@H](C#N)NC(=O)c1ccc(B(O)O)cc1 584978854 YPLXGEOIUAXSNL-LLVKDONJSA-N 246.075 -0.356 50 20 BBGD CCn1nccc1CNCc1ccc(B(O)O)o1 585049643 IVPRDIPXZZBBIT-UHFFFAOYSA-N 249.079 -0.534 50 20 BBGD CN(C(=O)NCB(O)O)C1CCCCC1 585059205 DFKGXXDTFCJMNR-UHFFFAOYSA-N 214.074 -0.028 50 20 BBGD O=C(NCB(O)O)[C@H]1CC(c2ccccc2)=NO1 585062853 OETDAVPOHDBBNW-SNVBAGLBSA-N 248.047 -0.692 50 20 BBGD O=C(NN=Cc1cnc[nH]1)N1CCOCC1 755672572 NLBOQPSWABDTIE-UHFFFAOYSA-N 223.236 -0.215 50 20 BBGD C[C@@H](C(=O)NN=c1cc[nH]cc1)S(C)(=O)=O 780756901 FJSSONZXFGQFMI-ZETCQYMHSA-N 243.288 -0.620 50 20 BBGD CCNC(=O)N(C)NC(=O)c1[nH]nnc1C 790016455 ZLNAFFONYSRFEV-UHFFFAOYSA-N 226.240 -0.581 50 20 BBGD C=CCOCC(=O)NN(CC)CCO 823856020 KQECRRGTZOFICI-UHFFFAOYSA-N 202.254 -0.466 50 20 BBGD CCN(CCO)NC(=O)[C@@](C)(O)C1CCC1 823889193 LMJZRPOXXAUVDC-NSHDSACASA-N 230.308 -0.117 50 20 BBGD C[C@H](CO)N(C)NC(=O)[C@@H]1CC1(F)F 823918058 QWGOBOZEDKQCJY-RITPCOANSA-N 208.208 -0.015 50 20 BBGD CSCC[C@H](O)C(=O)NN(C)[C@H](C)CO 823939406 KISBIGFFQREARK-SFYZADRCSA-N 236.337 -0.556 50 20 BBGD CCC(=O)NNC(=O)[C@@H](C)N1CCC[C@H](N)C1 843345354 CDPSTUHRTYKIHV-BDAKNGLRSA-N 242.323 -0.645 50 20 BBGD CC(=O)CCC(=O)NNC(=O)[C@H]1CCO[C@@H]1C 843971939 CSHDWEKGRFUWMT-BDAKNGLRSA-N 242.275 -0.072 50 20 BBGD CC(C)C#CC(=O)NNC(=O)c1ncccn1 854953845 WXNIVVDKGXELJV-UHFFFAOYSA-N 232.243 -0.103 50 20 BBGD CC[C@H](C)CC(=O)NNC(=O)[C@@H]1CCC(=O)N1 862458253 BGZCIAGEDGOPTF-YUMQZZPRSA-N 241.291 -0.151 50 20 BBGD O=C(NOCCC1CC1)c1ccc(B(O)O)cc1 863884022 VVZABRSVCIRRNE-UHFFFAOYSA-N 249.075 -0.172 50 20 BBGD NNC(=O)c1ccc(-n2cccn2)nc1 871596611 UNNKLRSQAJCLLJ-UHFFFAOYSA-N 203.205 -0.129 50 20 BBGD CCOCC(=O)NNC(=O)N[C@@H]1COC[C@@H]1C 925999527 HQJBMNBHXAICBO-JGVFFNPUSA-N 245.279 -0.612 50 20 BBGD CN(NC(=O)Cn1ccc(O)nc1=O)C1CC1 1118096566 QQXQKYZXHUKRQY-UHFFFAOYSA-N 238.247 -0.926 50 20 BBGD CC(=O)NNC(=O)c1nc(O)c(C)s1 1123477566 WDSHJXYNTRWRBZ-UHFFFAOYSA-N 215.234 -0.062 50 20 BBGD CC(=O)NNS(=O)(=O)c1cnc(C)s1 1320403682 MUDXMUKUQOEWPA-UHFFFAOYSA-N 235.290 -0.219 50 20 BBGD NC(=O)NC1(C(=O)NNC(=O)CC2CC2)CC1 1324332255 UOMMVQMVODKWRP-UHFFFAOYSA-N 240.263 -0.865 50 20 BBGD COC(=O)NNC(=O)c1cnc2n1CCC2 1328482880 RWNXGSTUEDRTDL-UHFFFAOYSA-N 224.220 -0.170 50 20 BBGD CN(N)C(=O)Cc1ccc(-n2cnnn2)cc1 1573877071 AXMUJAHYYRFQCA-UHFFFAOYSA-N 232.247 -0.463 50 20 BBGD CC(C)NC(=O)NNC(=O)[C@]1(C)CNCCO1 1575709185 FLDBBMBJSVVZNW-JTQLQIEISA-N 244.295 -0.896 50 20 BBGD Cc1nn(C)c(C)c1C=NNC(=O)C(=O)O 1608000343 GHXSLBZNWHSGKL-UHFFFAOYSA-N 224.220 -0.428 50 20 BBGD CCc1ocnc1C(=O)NNC(=O)CN(C)C 265800334 HZIPLIXULGRKMG-UHFFFAOYSA-N 240.263 -0.440 50 20 BBGD CCn1cc(C(=O)NNC(=O)C(C)(C)O)cn1 276292744 RNRJUJQTGDKUAQ-UHFFFAOYSA-N 240.263 -0.565 50 20 BBGD CC(C)[C@H](O)C(=O)NNC(=O)c1ccncc1 291430309 JEMRTFMADQVCJK-VIFPVBQESA-N 237.259 -0.141 50 20 BBGD C#CCO[C@H](C)C(=O)NNC(=S)NCC=C 294283250 HLJZBIJJDDLYPC-MRVPVSSYSA-N 241.316 -0.294 50 20 BBGD C[C@H](Cl)C(=O)N1C[C@@H]2C(=O)NC(=O)[C@H]2C1 306523772 UZPQTUBEFLSKRU-ZLUOBGJFSA-N 230.651 -0.655 50 20 BBGD O=C(NCB(O)O)c1ccc2c(c1)CCC2 585058237 WBWGMIZKKLWBMT-UHFFFAOYSA-N 219.049 -0.083 50 20 BBGD C/C=C/C(=O)NNC(=O)c1cnn(C)c1 735444086 ANXFZWCKFFEYGF-ONEGZZNKSA-N 208.221 -0.243 50 20 BBGD Cn1[nH]cnc1=NC(=O)NNC(=O)c1ccc[nH]1 757760772 INECLMAQRHLHOV-UHFFFAOYSA-N 249.234 -0.968 50 20 BBGD O=C(CO)NNC(=O)c1c[nH]nc1C1CC1 789905471 PUHFAMNZLCDDBZ-UHFFFAOYSA-N 224.220 -0.960 50 20 BBGD C#CCC(C)(C)C(=O)NNC(=O)c1ncon1 832826208 SXGZWXKHMHNUEU-UHFFFAOYSA-N 236.231 -0.120 50 20 BBGD O=C(O)CCC(=O)NNc1ncccn1 842546943 GEFVNDMNJZTQDJ-UHFFFAOYSA-N 210.193 -0.216 50 20 BBGD O=C1CC(C(=O)NCC(Cl)Cl)=NN1 848384427 LPUJGAPCDOOLIH-UHFFFAOYSA-N 224.047 -0.218 50 20 BBGD C[C@@H]1CC(=NNC(=O)[C@@H]2CCC(=O)N2)CO1 863150849 CSXIJKHFAPDUTG-SVRRBLITSA-N 225.248 -0.454 50 20 BBGD COC(=O)CCc1nnn(C/C=C\C#N)n1 882213564 ANMJLQVUBGQSAA-IHWYPQMZSA-N 221.220 -0.142 50 20 BBGD COC(=O)/C(C#N)=C/c1cn(C)c(=O)n(C)c1=O 884003318 LDXYTCARIKCPPH-QPJJXVBHSA-N 249.226 -0.836 50 20 BBGD Cc1cc(C(=O)NN)c2c(O)nn(C)c2n1 915189957 IZKFBXOERVHVJF-UHFFFAOYSA-N 221.220 -0.414 50 20 BBGD Cn1ccc(NNC(=O)C2=COCCO2)n1 1116852326 LGTZFCHGDQDSPE-UHFFFAOYSA-N 224.220 -0.249 50 20 BBGD COCCCNC(=O)NNC(=O)c1cnco1 1319523960 DQCPWRCYQFUKSG-UHFFFAOYSA-N 242.235 -0.345 50 20 BBGD Cn1cc(C(=O)NNC(=O)c2cncnc2)cn1 1320177870 OPJHSKYZPMOOTG-UHFFFAOYSA-N 246.230 -0.715 50 20 BBGD O=C(Cn1cncn1)NNc1ncncc1F 1324304611 JXNUDJZMLCMGDG-UHFFFAOYSA-N 237.198 -0.650 50 20 BBGD CC(C)(C)N1C[C@@H](CNC(=O)NN)CC1=O 1328350846 OCLDSSBKYMSHFZ-SSDOTTSWSA-N 228.296 -0.194 50 20 BBGD O=C(CO)NNC(=O)C1(c2ccccn2)CC1 1331596302 WPCGHEMXVRLFHA-UHFFFAOYSA-N 235.243 -0.747 50 20 BBGD CO[C@@H](C)CNC(=O)NNC(=O)c1cn[nH]c1 1348111110 UHXFKVWHSZRWIC-LURJTMIESA-N 241.251 -0.611 50 20 BBGD C[C@H](O)CN(C)NC(=O)CCc1nccn1C 1348728195 SMXRCJRQSGZENR-VIFPVBQESA-N 240.307 -0.304 50 20 BBGD CCNC(=O)NNC(=O)CC1COC1 1353877017 UOAWEYKQWZZHMC-UHFFFAOYSA-N 201.226 -0.627 50 20 BBGD CNC(=O)NNC(=O)CCCC(=O)O 1593792853 FKXKHIVOTFRQOD-UHFFFAOYSA-N 203.198 -0.799 50 20 BBGD CC(=O)NNC(=O)Nc1ccn(CC(=O)O)n1 1602760957 VELSLYPRZUHWBR-UHFFFAOYSA-N 241.207 -0.860 50 20 BBGD C[C@H]1CC(=NNC(=O)C(=O)O)CCN1C 1604645019 FUYGXEAZDBNRKK-LURJTMIESA-N 213.237 -0.343 50 20 BBGD CON=CC(=O)NNc1ccc(C(=O)O)cn1 1606994763 SZCGQYJWWKSWGK-UHFFFAOYSA-N 238.203 -0.145 50 20 BBGD Cc1cccc(C(=O)NNC(=O)[C@H](C)O)n1 279738382 ADOPMKOGSRTXAY-ZETCQYMHSA-N 223.232 -0.468 50 20 BBGD C=CCNC(=S)NNC(=O)CNC(=O)OC 281299655 RILSMJXLDGCKJJ-UHFFFAOYSA-N 246.292 -0.976 50 20 BBGD CNC(=O)NNC(=O)c1cncs1 306499180 IEDKJMNRPPHZEJ-UHFFFAOYSA-N 200.223 -0.283 50 20 BBGD CCN1CCO[C@H](C(=O)NN(C)C(=O)OC)C1 376012293 FCNGPXMDMAAEPG-QMMMGPOBSA-N 245.279 -0.564 50 20 BBGD COCC[C@H](C)NCc1cccc(B(O)O)c1 585021507 VZGXCZQLYLAUHF-JTQLQIEISA-N 237.108 -0.119 50 20 BBGD Cc1nc(CNCc2ccc(B(O)O)cc2)n[nH]1 585032720 KUVIXIKWSYXAMT-UHFFFAOYSA-N 246.079 -0.917 50 20 BBGD OB(O)c1ccc(CN[C@H]2CCC[C@H](O)C2)o1 585033140 YOQAKBXNSLIVHC-IUCAKERBSA-N 239.080 -0.648 50 20 BBGD NC(=O)C(=O)NN=Cc1cccc(Cl)c1O 753163244 SVRAZOWSLOWESP-UHFFFAOYSA-N 241.634 -0.019 50 20 BBGD C#CCOCCC(=O)NNC(=O)NCC 755665720 ZGIXBUGXZQHQHG-UHFFFAOYSA-N 213.237 -0.623 50 20 BBGD C[C@@H]1CN(C)CC1=NNC(=O)C(C)(C)O 785463985 ZHHCEUCMUDYMHL-SSDOTTSWSA-N 213.281 -0.189 50 20 BBGD CCn1nc(C)c(C(=O)NNC(C)=O)n1 814699720 IDIWGDYBMAUSAG-UHFFFAOYSA-N 211.225 -0.613 50 20 BBGD CCC[C@H](O)C(=O)NN(C)C[C@H](C)O 822556874 ITFAVWQRUDAOMM-YUMQZZPRSA-N 204.270 -0.509 50 20 BBGD COc1nccnc1NNC(=O)C(C)(C)CO 848225610 LLXKSGWKYSEZQI-UHFFFAOYSA-N 240.263 -0.053 50 20 BBGD CCC[C@H](O)CC(=O)NNC(=O)c1cc[nH]n1 855357971 WWDYOAXBXLAWTL-ZETCQYMHSA-N 240.263 -0.278 50 20 BBGD CC[C@]1(C(=O)NN(C)C(=O)OC)CCNC1=O 868241167 PJMSUNGPPHFRNQ-JTQLQIEISA-N 243.263 -0.368 50 20 BBGD CC(=O)N1CC[C@](C)(C(=O)NN(C)C(N)=O)C1 1319892999 SGERIHKPKVCIJY-JTQLQIEISA-N 242.279 -0.713 50 20 BBGD Cc1nccc(C(=O)NN(C)C(N)=O)n1 1320142551 LNLJLVIPYHIVGH-UHFFFAOYSA-N 209.209 -0.560 50 20 BBGD CC(C)(CO)C(=O)NNC(=O)Cc1cc[nH]n1 1332877570 FSERZVWZIMLLQP-UHFFFAOYSA-N 240.263 -0.882 50 20 BBGD CC(CCO)=NNC(=O)c1cnccn1 1339964324 FAWRXZYNMPHKKG-UHFFFAOYSA-N 208.221 -0.035 50 20 BBGD CN(NC(=O)CCc1nccn1C)C(N)=O 1528079741 QIWKUSBJDVHNLW-UHFFFAOYSA-N 225.252 -0.606 50 20 BBGD CCNC(=O)NNC(=O)[C@@H](C)C(=O)O 1589909801 YAFHXHNNPSMNNJ-SCSAIBSYSA-N 203.198 -0.943 50 20 BBGD O=C(O)C(=O)NN=Cc1cnn2cccnc12 1601636180 VSVPEVBFOYYZCY-UHFFFAOYSA-N 233.187 -0.736 50 20 BBGD COC(=O)N(C)NC(=O)c1cc(C(=O)O)no1 1606488229 UTQYMRZKDMWRKI-UHFFFAOYSA-N 243.175 -0.284 50 20 BBGD CCOC(=O)NNC(=O)[C@@H](NC(C)=O)C(C)C 68518151 NAFBMGZGCVRAHH-QMMMGPOBSA-N 245.279 -0.076 50 20 BBGD O=S(=O)(CCl)NCC1(O)CCOCC1 88034589 CJPDPEWTNIKZCX-UHFFFAOYSA-N 243.712 -0.356 50 20 BBGD C[C@H](O)CCCOc1ccc(B(O)O)cc1 584910222 OMXPSJFYPBHRIZ-VIFPVBQESA-N 224.065 -0.094 50 20 BBGD O=C(Nc1cccc(B(O)O)c1)[C@H]1CC1(F)F 584912288 QXMCSLFXHCAMLA-MRVPVSSYSA-N 241.002 -0.040 50 20 BBGD OB(O)c1ccc(CNCCOCC2CC2)cc1 585024318 UFOQDYNWFZEUPO-UHFFFAOYSA-N 249.119 -0.117 50 20 BBGD CN(C)Cc1cccc(C(=O)NCB(O)O)c1 585061124 LONDSLMRDQSCHD-UHFFFAOYSA-N 236.080 -0.510 50 20 BBGD O=C(NCB(O)O)c1cc(N2CCCC2)ccn1 585062822 NYGHXHGCLUGYTH-UHFFFAOYSA-N 249.079 -0.576 50 20 BBGD CC(C)OCCC(=O)N1CC[C@@H](B(O)O)C1 585077342 RJFZKNJLHLFIPY-SECBINFHSA-N 229.085 -0.123 50 20 BBGD COC(=O)NNC(=O)c1cnc(OC)nc1 765840160 PKXNHSJYCWZFJP-UHFFFAOYSA-N 226.192 -0.514 50 20 BBGD CCNC(=O)N(C)NC(=O)CSCC#N 768409959 OAXACQQLMIXRRH-UHFFFAOYSA-N 230.293 -0.064 50 20 BBGD CNC(=O)NNC(=O)[C@@](C)(O)C1CCC1 813419912 CSAYXCREOWWYFI-VIFPVBQESA-N 215.253 -0.502 50 20 BBGD Cc1cc(CC(=O)NN=C2COC2)n[nH]1 814787809 UTLSTNUOYWONHK-UHFFFAOYSA-N 208.221 -0.237 50 20 BBGD COCCC(C)=NNC(=O)NCC(=O)OC 814901022 TWKYOSKAUWFZAT-UHFFFAOYSA-N 231.252 -0.129 50 20 BBGD CCN(CCO)NC(=O)[C@@H]1CCCOC1 823856567 VEDDRFJGWNHKNA-SECBINFHSA-N 216.281 -0.242 50 20 BBGD C[C@@H](CO)N(C)NC(=O)COCC(F)(F)F 823935727 WBCVCIIDZRJKIO-LURJTMIESA-N 244.213 -0.091 50 20 BBGD C[C@H](N)CCNC(=O)NNC(=O)C1CCC1 857113409 VJKAZDARTRLGGW-ZETCQYMHSA-N 228.296 -0.146 50 20 BBGD O=C1CC[C@@H](C(=O)NN=C2CCn3cccc32)N1 863145362 NOLFKMMEDRJIMG-VIFPVBQESA-N 246.270 -0.009 50 20 BBGD COC1CC(C(=O)NNc2cnnn2C)C1 863920950 ZZRFGRXQVWYBED-UHFFFAOYSA-N 225.252 -0.317 50 20 BBGD CCC[C@H](O)C(=O)NNC(=O)C1CC1 929232861 XWMMFKXLVKYMKO-ZETCQYMHSA-N 200.238 -0.295 50 20 BBGD CC(=O)N[C@H](C)C(=O)NNC(=S)NC(C)C 1317668202 PVTGFPIRXYIPEQ-ZCFIWIBFSA-N 246.336 -0.585 50 20 BBGD COC(=O)C(=O)NN=C1CCN2CCC[C@@H]12 1319638970 NGKINHKODPULOI-QMMMGPOBSA-N 225.248 -0.500 50 20 BBGD Cn1ncc(C(=O)NNC(=O)CO)c1C1CC1 1324976229 HZLUXBAVIJITJW-UHFFFAOYSA-N 238.247 -0.949 50 20 BBGD COCc1nocc1C(=O)NN(C)C[C@@H](C)O 1339540289 RTCMYSAQCVAWRR-SSDOTTSWSA-N 243.263 -0.222 50 20 BBGD O=C(CCO)NNC(=O)Nc1nccs1 1342573284 LHDOXKXDHUQJLR-UHFFFAOYSA-N 230.249 -0.322 50 20 BBGD CCO/C=C(\C#N)C(=O)N1CC(C(N)=O)C1 1347912676 WTJYFJVIBXHXAS-VOTSOKGWSA-N 223.232 -0.626 50 20 BBGD COC(=O)N(C)NC(=O)[C@H]1C[C@@H](C(=O)OC)C1 1353679919 SKYQFXCWRADEJN-KNVOCYPGSA-N 244.247 -0.085 50 20 BBGD Cc1cc(=NNC(=O)NCCN)cc[nH]1 1579638299 VVMUUBUIODPDRQ-UHFFFAOYSA-N 209.253 -0.603 50 20 BBGD Cn1cc(C(=O)NN[C@@H](C(=O)O)C2CC2)cn1 1600932809 RLGYUWJLKIEQEC-MRVPVSSYSA-N 238.247 -0.482 50 20 BBGD O=C(NNC(=O)c1cn[nH]n1)c1ccccc1 48888996 YXWRDTXRUGDOIZ-UHFFFAOYSA-N 231.215 -0.121 50 20 BBGD O=C1CC(C(=O)NNc2ncccn2)C1 136312362 DQADYDDZEWRRAX-UHFFFAOYSA-N 206.205 -0.101 50 20 BBGD CCN1C[C@@H](C(=O)NN(C)C(=O)OC)CC1=O 286556140 ZLJFPRMCIFLIMH-ZETCQYMHSA-N 243.263 -0.416 50 20 BBGD O=C(Nc1cccc(B(O)O)c1)[C@H]1CCCO1 404981338 OTARTGDNMQBITL-SNVBAGLBSA-N 235.048 -0.516 50 20 BBGD Cn1nccc1CN1CC[C@H](B(O)O)C1 585076384 LXAFMKMKSGKDGI-QMMMGPOBSA-N 209.058 -0.531 50 20 BBGD CNC(=O)NNC(=O)C[C@H]1CCCC[C@@H]1O 773847353 JJZOIYWUDOYWFX-SFYZADRCSA-N 229.280 -0.112 50 20 BBGD C[C@@H](CO)N(C)NC(=O)c1cnsn1 823971446 UHCXMYMKSKNFHB-YFKPBYRVSA-N 216.266 -0.505 50 20 BBGD COCC(=O)NNc1cccc(-c2nn[nH]n2)c1 826147569 BQBYXGVJTVOILN-UHFFFAOYSA-N 248.246 -0.044 50 20 BBGD CCNC(=O)N(C)NC(=O)c1ncc[nH]1 831858249 OEEVZFGSCRGJPG-UHFFFAOYSA-N 211.225 -0.284 50 20 BBGD CCNC(=O)NNC(=O)C(C)(C)CNC(C)=O 845300888 ZPRAHQJEACEKCY-UHFFFAOYSA-N 244.295 -0.501 50 20 BBGD CC[C@H](C#N)C(=O)NNC(=O)c1ncccn1 846264608 LTBIHYHYVMCLAE-SSDOTTSWSA-N 233.231 -0.213 50 20 BBGD C=C[C@@H](O)C(=O)NNC(=S)N[C@H](C)C1CC1 855097180 KVXYBKOOFNBNTQ-HTRCEHHLSA-N 243.332 -0.173 50 20 BBGD CC(C)(C)OC(=O)C(=O)NNC(=O)CCCN 857764713 YHCUGVVAWABPBL-UHFFFAOYSA-N 245.279 -0.786 50 20 BBGD CC(C)C(=O)NNC(=O)[C@@H](C)[C@@H]1CCC(=O)N1 858143620 PESNZTLYHWBXQA-YUMQZZPRSA-N 241.291 -0.296 50 20 BBGD Cc1cc(=NNC(=O)CCNC(N)=O)cc[nH]1 862509466 NFYGUBISERBZMG-UHFFFAOYSA-N 237.263 -0.687 50 20 BBGD CCNC(=O)N(C)NC(=O)c1cnc(O)n1C 867279268 YCQCLGKQFZPUQB-UHFFFAOYSA-N 241.251 -0.568 50 20 BBGD CC(C)(C#N)CNC(=O)c1cccc(B(O)O)c1 867320186 VFNZPWAATGUUQC-UHFFFAOYSA-N 246.075 -0.354 50 20 BBGD Cc1cc(C(=O)NN(C)C[C@H](C)O)on1 910180644 YCKYTSUTUSTTDG-ZETCQYMHSA-N 213.237 -0.060 50 20 BBGD CC(=O)N[C@@H](C)C(=O)NNC(=O)C(C)C 915775803 VFJFBDKWBABBIE-LURJTMIESA-N 215.253 -0.686 50 20 BBGD CCCC(=O)NNC(=O)[C@@H]1CCC(=O)N1 1118883780 IMSPFCVCSPMODX-LURJTMIESA-N 213.237 -0.788 50 20 BBGD C=C[C@](C)(O)C(=O)NNC(=S)NC(C)C 1261661381 ORQACQDGNJSFJR-VIFPVBQESA-N 231.321 -0.173 50 20 BBGD CCOC(=O)CN(CC(N)=O)C(=O)CCl 1319923631 UMSIHYMJPZGYJV-UHFFFAOYSA-N 236.655 -0.898 50 20 BBGD COC(=O)C(=O)NN=Cc1ccc(OC)nc1 1321537365 PSLSNASXCPXDIM-UHFFFAOYSA-N 237.215 -0.287 50 20 BBGD NC(=O)C(=O)NN=Cc1cc(C(F)(F)F)n[nH]1 1322614189 GFQSMJTVFNTGQA-UHFFFAOYSA-N 249.152 -0.636 50 20 BBGD Cn1cc(CCC(=O)NNc2nc[nH]n2)cn1 1324553874 GTAAFYSIZWJWEW-UHFFFAOYSA-N 235.251 -0.386 50 20 BBGD C[C@H](O)CN(C)NC(=O)c1ccc[n+]([O-])c1 1333347549 NLTIXFJOQMTJBN-QMMMGPOBSA-N 225.248 -0.723 50 20 BBGD CS/C=C\C(=O)NNC(=O)[C@H]1CCC(=O)N1 1335329212 GCDMFVGUZPHMRF-WWVFMHICSA-N 243.288 -0.711 50 20 BBGD C[C@@H](CO)N(C)NC(=O)CCc1nccn1C 1521670947 MLIYWDIUQYAQIZ-VIFPVBQESA-N 240.307 -0.304 50 20 BBGD NC[C@H](O)CC(=O)NNc1ncccc1F 1580231692 CKJUJHBSUICHKS-ZCFIWIBFSA-N 228.227 -0.627 50 20 BBGD N[C@@H]1C[C@H]2C[C@@]2(C(=O)NNc2nc[nH]n2)C1 1580404871 FQEMXJPZTJPZPB-CCGCGBOQSA-N 222.252 -0.625 50 20 BBGD NNC(=O)[C@@H]1CCCN(C(=O)C2CC2)C1 37400297 KUTIORNAMCHUMC-MRVPVSSYSA-N 211.265 -0.375 50 20 BBGD CC(=O)NCC(=O)NNc1cc(C)ccn1 176729785 ZETCXSIHJPYQDH-UHFFFAOYSA-N 222.248 -0.031 50 20 BBGD O=C(NNc1ncccn1)[C@H]1CCCN1 238104505 ORXIKEKZWZMWEH-SSDOTTSWSA-N 207.237 -0.328 50 20 BBGD CC(=O)NNC(=O)c1csc(=O)[nH]1 307427198 RCQVLETVZBCWQA-UHFFFAOYSA-N 201.207 -0.783 50 20 BBGD CCOC(=O)c1cc(B(O)O)c(C)cn1 498035696 ANMYJMVFGGXLNR-UHFFFAOYSA-N 209.010 -0.753 50 20 BBGD C[C@@H]1C[C@H]1NC(=O)c1ccc(B(O)O)c(F)c1 584940762 ZPBGWFJJYQVVOI-LHLIQPBNSA-N 237.039 -0.356 50 20 BBGD CC[C@H](NCc1cccc(B(O)O)c1)[C@H](C)O 585044829 VRXYOPIHUMAHIK-CABZTGNLSA-N 237.108 -0.385 50 20 BBGD CC1(C)C(=NNC(=O)C(N)=O)[C@@H]2CCCO[C@@H]21 743421244 TWTVCOZHRQCDLV-XPUUQOCRSA-N 239.275 -0.221 50 20 BBGD CCC1(C(=O)NNC(=O)CN(C)C)CC1 749530701 KZFLPBQPAMQAJE-UHFFFAOYSA-N 213.281 -0.114 50 20 BBGD CC#CCN(C)CC(=O)NNC(=O)C1CC1 815286695 NEWFFTQNTRLLKY-UHFFFAOYSA-N 223.276 -0.501 50 20 BBGD CC(C)[C@H](NC=O)C(=O)NN(C)[C@@H](C)CO 823908045 SKHWXPWGYXYOJU-IUCAKERBSA-N 231.296 -0.899 50 20 BBGD CCOCCO[C@H](C)C(=O)NN(C)[C@@H](C)CO 823965592 PQDDIWHTFCFVEX-VHSXEESVSA-N 248.323 -0.228 50 20 BBGD CCO/C=C(\C#N)C(=O)NC[C@@H]1COCO1 861974488 PCBBCFOPMXHOID-WHXYTISESA-N 226.232 -0.081 50 20 BBGD CCCCOCC(=O)NNC(=O)c1cn[nH]c1 862472107 VGRQHYIZXOKHHM-UHFFFAOYSA-N 240.263 -0.013 50 20 BBGD O=C(NCCC1CC1)c1cccc(B(O)O)c1 866132801 WRWLRYIDGDZEAI-UHFFFAOYSA-N 233.076 -0.104 50 20 BBGD CCC(=O)NNC(=O)[C@H](C)N1C[C@H]2C[C@@H]2C1 886344398 DHXJYABJJQFDLO-DJLDLDEBSA-N 225.292 -0.116 50 20 BBGD CCCNC(=O)NNC(=O)CSCC#N 921039149 CWXWDHPZJYGBRF-UHFFFAOYSA-N 230.293 -0.016 50 20 BBGD CC(C)(F)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 1118884730 OSUCIFDUKKUUMT-YFKPBYRVSA-N 231.227 -0.840 50 20 BBGD COC(=O)C(=O)NN=Cc1[nH]cnc1C 1253647022 PPVFWBPEBLPAFJ-UHFFFAOYSA-N 210.193 -0.659 50 20 BBGD C[C@H](C(=O)NNC(=O)N(C)C)n1cncn1 1253935122 MRIDEMRXPUQWPL-ZCFIWIBFSA-N 226.240 -0.859 50 20 BBGD CCOc1cc(C(=O)NN(C)C[C@H](C)O)[nH]n1 1262177752 GJQPBAORVLUADT-ZETCQYMHSA-N 242.279 -0.234 50 20 BBGD CN(NC(=O)c1cnn2ccncc12)C(N)=O 1321205758 SJQRPQSJOIVAED-UHFFFAOYSA-N 234.219 -0.615 50 20 BBGD Cc1nnccc1C(=O)NN(C)[C@@H](C)CO 1330880040 OZBXECMWYFDZIS-ZETCQYMHSA-N 224.264 -0.258 50 20 BBGD CCCNC(=O)NNC(=O)CC1COC1 1331899548 JHIHJMVQRLRXOW-UHFFFAOYSA-N 215.253 -0.237 50 20 BBGD COC(=O)N(C)NC(=O)c1cc(C(N)=O)c[nH]1 1341212706 WKXXWEUKXMHOCK-UHFFFAOYSA-N 240.219 -0.543 50 20 BBGD COCC#CC(=O)NNC(=O)Cc1ccncc1 1347617027 NVBXNEPIGNKGLN-UHFFFAOYSA-N 247.254 -0.579 50 20 BBGD C#CCCCC(=O)NNC(=O)[C@@H]1NC[C@@H]2C[C@@H]21 1574544606 FHQPLYSGFNEHPG-ATZCPNFKSA-N 235.287 -0.455 50 20 BBGD NNC(=O)c1ccc(-n2ccnc2)nc1 37390067 XDAOIZRNHFYAHT-UHFFFAOYSA-N 203.205 -0.129 50 20 BBGD OB(O)c1ccccc1CNCC1(O)CCCC1 585024445 XWLVARWCNOPJCL-UHFFFAOYSA-N 249.119 -0.239 50 20 BBGD C[C@H]1C[C@@H](C)O[C@H]1C(=O)N1CC[C@@H](B(O)O)C1 585064756 SUKAIHHKRTXZHP-SGIHWFKDSA-N 241.096 -0.125 50 20 BBGD O=S(=O)(CCl)NC[C@@]1(O)CCSC1 642861552 KEBUCOQQAWNACR-LURJTMIESA-N 245.753 -0.030 50 20 BBGD CNC(=O)C1(C(=O)NNC(=O)C(C)C)CC1 729966671 VYRNKRLLUMPSGL-UHFFFAOYSA-N 227.264 -0.684 50 20 BBGD CN(NC(=O)CNC(=O)C(C)(C)C)C(N)=O 770438406 USVPKSRUSYADAJ-UHFFFAOYSA-N 230.268 -0.810 50 20 BBGD CN(NC(=O)C1(N(C)C)CCC1)C(N)=O 778411796 IMPBSVRMUVETGW-UHFFFAOYSA-N 214.269 -0.488 50 20 BBGD Cc1cc(C(=O)NNC(=O)c2ccncn2)n[nH]1 779039983 GFTVOTYQMDJIOB-UHFFFAOYSA-N 246.230 -0.417 50 20 BBGD Cc1c[nH]nc1C(=O)NNC(=O)C1CC1 799408064 MYXKMAQQCRQIGX-UHFFFAOYSA-N 208.221 -0.111 50 20 BBGD CC1=NO[C@@H](C(=O)NNC(=O)NC2CC2)C1 823767233 CXMVKNBNGCMIQL-SSDOTTSWSA-N 226.236 -0.356 50 20 BBGD CCN(CCO)NC(=O)c1cc2n(n1)CCO2 823884910 OJOULCAWHRZEPV-UHFFFAOYSA-N 240.263 -0.766 50 20 BBGD N#CC1=CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 831488788 VTLVUOGRPQMERO-QMMMGPOBSA-N 248.242 -0.733 50 20 BBGD O=C(C[C@@H]1CC(=O)N1)NNC(=O)c1ccccc1 854138346 HHULKTPCSPTGGS-VIFPVBQESA-N 247.254 -0.274 50 20 BBGD CNC(=S)N(C)NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 854928102 XADKHLOGNUCYMU-RFZPGFLSSA-N 232.265 -0.881 50 20 BBGD CCNC(=O)NNC(=O)c1cc(CC)[nH]n1 920858508 YLEFQNKDOZAVOL-UHFFFAOYSA-N 225.252 -0.064 50 20 BBGD Cc1cc(NNC(=O)c2cnn[nH]2)ncn1 1116070701 ZLBBWLQFLYCPHO-UHFFFAOYSA-N 219.208 -0.340 50 20 BBGD C[C@H](O)CN(C)NC(=O)[C@H](C)n1cncn1 1119581858 NQJFDJHSEVWBJT-YUMQZZPRSA-N 227.268 -0.817 50 20 BBGD CN(NC(=O)c1cn(C(C)(C)C)nn1)C(N)=O 1320707583 OICJGUFLGBOCAQ-UHFFFAOYSA-N 240.267 -0.312 50 20 BBGD NC(=O)[C@@H]1CCCN1CCCNC(=O)CCl 1329304467 RRSOVLGYEZORTN-QMMMGPOBSA-N 247.726 -0.319 50 20 BBGD O=C(NNC(=O)C1CCOCC1)c1ncc[nH]1 1333149220 NRHPSJHASBFZNN-UHFFFAOYSA-N 238.247 -0.403 50 20 BBGD CCn1nccc1C(=O)NN(C)C(N)=O 1338320368 OAZHHAZZBJFHHQ-UHFFFAOYSA-N 211.225 -0.442 50 20 BBGD O=C(CC1CC1)NNC(=O)CC1COC1 1350731400 LVKKYAYEVVECSV-UHFFFAOYSA-N 212.249 -0.030 50 20 BBGD CNC(=O)NNC(=O)c1ccc(C(=O)O)nc1 1606280976 NBOGMUVGXCKRCR-UHFFFAOYSA-N 238.203 -0.646 50 20 BBGD CC(C)CC(=O)NNC(=O)c1ccc(O)nn1 22699047 ZXQBIWCSUHJFCQ-UHFFFAOYSA-N 238.247 -0.011 50 20 BBGD CC(C)C[C@H](C)OCCC(=O)NNC(=O)CO 180966714 PZLXLNGKIJHSGD-VIFPVBQESA-N 246.307 -0.033 50 20 BBGD Cc1ocnc1C(=O)NNC(=O)[C@@H]1CCCO1 294521876 FFGYNMKGAFXPAQ-ZETCQYMHSA-N 239.231 -0.077 50 20 BBGD N#C/C(=C/c1ccc(O)cc1)C(=O)NCC(N)=O 490872089 BFWVZKNOYLBGGE-UITAMQMPSA-N 245.238 -0.099 50 20 BBGD C[C@H]1OC(=O)N[C@H]1C(=O)NN(C)C1CC1 496499927 MJWREMFIDMUFIE-IYSWYEEDSA-N 213.237 -0.391 50 20 BBGD OB(O)c1ccc(CNCCc2cccnc2)o1 585017974 PIVRFJDVUOWEAY-UHFFFAOYSA-N 246.075 -0.313 50 20 BBGD C=C(C)CS(=O)(=O)N1CC[C@H](B(O)O)C1 585059034 XOXRQTZMZOUJTE-QMMMGPOBSA-N 233.098 -0.559 50 20 BBGD Nc1c(F)cc(Cl)cc1C(=O)NCB(O)O 585062060 CDPORWJOXBQURO-UHFFFAOYSA-N 246.434 -0.197 50 20 BBGD O=C(CCN1CCCC1=O)NNC(=O)C1CC1 727723013 RXZZZODVSMJLGI-UHFFFAOYSA-N 239.275 -0.444 50 20 BBGD CNC(=S)NNC(=O)N1CCOCC1 745730329 QHQBNTBNZVKSAG-UHFFFAOYSA-N 218.282 -0.963 50 20 BBGD CC(=NNC(=O)C(=O)NC1CC1)c1nccn1C 755610816 KAIRMJWOPWHUBP-UHFFFAOYSA-N 249.274 -0.461 50 20 BBGD Cc1cc(C=NNC(=O)C(N)=O)c(C)o1 767892115 BLDJUIBKMHUTBL-UHFFFAOYSA-N 209.205 -0.168 50 20 BBGD Cn1nncc1NC(=O)NNC(=O)C1CCC1 809902232 UVRPTWXSOPLXPI-UHFFFAOYSA-N 238.251 -0.232 50 20 BBGD CC(=NNC(=O)C(=O)NC1CC1)c1cc[nH]n1 814778247 WZOGCJRDQBOYFR-UHFFFAOYSA-N 235.247 -0.472 50 20 BBGD Cn1c2c(ccc1=O)C(=NNC(=O)CO)CCC2 814896125 KAVZPFBDFIOXGN-UHFFFAOYSA-N 249.270 -0.466 50 20 BBGD CCN(CCO)NC(=O)Cn1cccn1 823841807 KMBJKDJFDNRCFX-UHFFFAOYSA-N 212.253 -0.772 50 20 BBGD CCN(CCO)NC(=O)CCn1ccnn1 823841934 NDNYUBHCGUBUHX-UHFFFAOYSA-N 227.268 -0.986 50 20 BBGD CCN(CCO)NC(=O)c1cc(COC)on1 823865553 UABNZKRITTZDMC-UHFFFAOYSA-N 243.263 -0.220 50 20 BBGD CCN(CCO)NC(=O)/C=C(\C)COC 823893408 IKIYPJBBPQOFNW-VQHVLOKHSA-N 216.281 -0.076 50 20 BBGD C[C@@H](CO)N(C)NC(=O)[C@@H]1CCCO1 823939457 LCRJWQBNLUMKAJ-YUMQZZPRSA-N 202.254 -0.491 50 20 BBGD COc1nccnc1NNC(=O)[C@H](C)O 857539849 HYQCIIYUTNJXKF-YFKPBYRVSA-N 212.209 -0.691 50 20 BBGD CN(C)C(=O)NNC(=O)[C@@H](O)c1ccccn1 1335759236 JBODRXCBLDCBNB-QMMMGPOBSA-N 238.247 -0.583 50 20 BBGD CCOC(=O)NNC(=O)c1ncn(C)n1 1343484759 XWGKBGJURJKERZ-UHFFFAOYSA-N 213.197 -0.794 50 20 BBGD C[C@@H](C(=O)NNC(=O)c1ccnnc1)C1CNC1 1575071906 QFLKQPVVWRQWLR-SSDOTTSWSA-N 249.274 -0.907 50 20 BBGD CCc1nc[nH]c1C(=O)NNC(=O)CCN 1578296823 GOURJYZBCFUJAV-UHFFFAOYSA-N 225.252 -0.918 50 20 BBGD CCCC[C@H](NC(N)=O)C(=O)NN(C)C(N)=O 272249230 YYMUGLAOQMFJID-LURJTMIESA-N 245.283 -0.745 50 20 BBGD CCNC(=O)N(C)NC(=O)[C@@H]1NC(=O)O[C@H]1C 497017279 FYRKFAVGNPLMED-NTSWFWBYSA-N 244.251 -0.824 50 20 BBGD CC(C)N(C)C(=O)c1ccc(B(O)O)c(F)c1 584927148 DIWAZNJZYLPBPH-UHFFFAOYSA-N 239.055 -0.014 50 20 BBGD O=C(c1ccc(B(O)O)c(F)c1)N1CC2(CC2)C1 584995519 WITODNRJGBRZPW-UHFFFAOYSA-N 249.050 -0.259 50 20 BBGD CC1(CNCc2ccc(B(O)O)o2)COC1 585024656 ZPQZGPUPWYTWJX-UHFFFAOYSA-N 225.053 -0.915 50 20 BBGD OC[C@H]1C=C[C@@H](NCc2ccc(B(O)O)cc2)C1 585035207 ZPVVKLOLCMBKAJ-WCQYABFASA-N 247.103 -0.607 50 20 BBGD C[C@H](NCc1ccccc1B(O)O)C1(CO)CC1 585047407 ORYAVTUWXJKXDE-JTQLQIEISA-N 249.119 -0.383 50 20 BBGD C[C@H]1CC(=NNC(=O)C(N)=O)CN1C1CC1 753954584 DYKAEVWLFOMDQW-LURJTMIESA-N 224.264 -0.800 50 20 BBGD Cc1c(C(=O)NNC(=O)C(C)(C)O)cnn1C 768247959 QHWKTYIJISWKDN-UHFFFAOYSA-N 240.263 -0.740 50 20 BBGD C[C@H](CO)N(C)NC(=O)c1cncc(O)c1 823929283 XKMUJEJLEFIUOZ-SSDOTTSWSA-N 225.248 -0.255 50 20 BBGD Cc1cc(C(=O)NN(C)[C@H](C)CO)nn1C 823971813 ZOLSXILYGXRSDJ-MRVPVSSYSA-N 226.280 -0.314 50 20 BBGD CC(C)(CO)C(=O)NNc1ccncn1 848163210 HOBDWLFFCZFCNR-UHFFFAOYSA-N 210.237 -0.062 50 20 BBGD O=C(NNC(=O)[C@@H]1CCNC1=O)c1ccccc1 854138162 DQFZKNIXOXEUHC-SECBINFHSA-N 247.254 -0.416 50 20 BBGD C[C@H](NCc1ccccc1B(O)O)C(C)(C)O 863888667 JCYKTECWJPFBDF-VIFPVBQESA-N 237.108 -0.385 50 20 BBGD C[C@@H]1COCC1=NNC(=O)C(=O)N1CCCC1 884424953 QHVPDAWWMRFATI-MRVPVSSYSA-N 239.275 -0.253 50 20 BBGD C[C@H](O)CN(C)NC(=O)c1cnn2cccnc12 910174145 RANJYGLIGHLWOV-QMMMGPOBSA-N 249.274 -0.313 50 20 BBGD O=C(C[C@@H]1CCOC1)NNc1nc[nH]n1 1117759861 FEOVNTSNECWMSK-LURJTMIESA-N 211.225 -0.326 50 20 BBGD CCNC(=O)NNC(=O)c1cc(C)nn1C 1318005229 YZMKNAXHXHJOIH-UHFFFAOYSA-N 225.252 -0.308 50 20 BBGD C[C@H](CS(C)(=O)=O)C(=O)NNC(=O)C1CC1 1318875736 CEUOVJGWXDTKOE-ZCFIWIBFSA-N 248.304 -0.776 50 20 BBGD NC(=O)C1(CNC(=O)CCl)CCOCC1 1319674426 MJUDBGDNTYJIQZ-UHFFFAOYSA-N 234.683 -0.377 50 20 BBGD CNC(=O)NNC(=O)c1cncc(C)c1 1322095751 PEVCKOWHCVVJGR-UHFFFAOYSA-N 208.221 -0.036 50 20 BBGD C[C@@H](O)CN(C)NC(=O)C1CCN(C)CC1 1333348331 XKKCKMFVTYZPIZ-SECBINFHSA-N 229.324 -0.328 50 20 BBGD CC(=O)c1c[nH]c(C(=O)NN(C)C(N)=O)c1 1341907861 BVZAROZNUZFFEZ-UHFFFAOYSA-N 224.220 -0.127 50 20 BBGD COC(=O)N(C)NC(=O)[C@H]1CCCCN1 1574082615 VLVBQITZMPKBCI-SSDOTTSWSA-N 215.253 -0.142 50 20 BBGD CC[C@H](C(=O)O)C(=O)NN(C)CCOC 1594755344 HDQHDGXZXSBKNK-ZETCQYMHSA-N 218.253 -0.293 50 20 BBGD O=C(O)CC(=O)NNC(=O)N=c1cc[nH]cc1 1601887909 GHCAFQBRUBWGAJ-UHFFFAOYSA-N 238.203 -0.869 50 20 BBGD O=C(O)CNC(=O)NN=Cc1cnc[nH]1 1610783233 LFDRPBXTNPTSLK-UHFFFAOYSA-N 211.181 -0.873 50 20 BBGD N#CC1=CCN(C(=O)CSCC(N)=O)CC1 1636505561 OEFHCZDPDLTCNL-UHFFFAOYSA-N 239.300 -0.113 50 20 BBGD N#CC(C#N)=CNCCN1CCOCC1 22920746 OZSSLXPJFOMOCM-UHFFFAOYSA-N 206.249 -0.161 50 20 BBGD CNC(=O)NNC(=O)CCn1cc(Cl)cn1 299117605 KEDWOIXVZDRTEK-UHFFFAOYSA-N 245.670 -0.113 50 20 BBGD C[C@@H](CF)NC(=O)c1ccc(B(O)O)cc1 584989361 CGFLOQYYRINBSJ-ZETCQYMHSA-N 225.028 -0.546 50 20 BBGD OB(O)c1cccc(CNC[C@H]2[C@@H]3COC[C@H]23)c1 585041197 VTGYGASWOHFBQD-XYYAHUGASA-N 247.103 -0.652 50 20 BBGD CC[C@@H]1COC[C@H]1NCc1ccccc1B(O)O 585047161 JAKFHICHRCFEQP-ZWNOBZJWSA-N 249.119 -0.119 50 20 BBGD Cc1ccc(COCC(=O)NCB(O)O)cc1 585062779 NDSBRIGHXGTOHA-UHFFFAOYSA-N 237.064 -0.360 50 20 BBGD COC1CCC(CC(=O)NNC(=O)CO)CC1 753444372 LVYUYHOLAZGCDC-UHFFFAOYSA-N 244.291 -0.279 50 20 BBGD CCn1nncc1C(=O)NNC(=O)c1ccc[nH]1 814796720 MTOPNOGBRLLEGF-UHFFFAOYSA-N 248.246 -0.299 50 20 BBGD Cn1nc(C(=O)NNC(=O)C(C)(C)C)cc1O 822251471 FMMLYWRCORATGW-UHFFFAOYSA-N 240.263 -0.067 50 20 BBGD CCC(=O)NNC(=O)[C@H](C)N1CC[C@@H](F)C1 830479895 LFRKSKKOZNSDDO-JGVFFNPUSA-N 231.271 -0.024 50 20 BBGD COc1nccnc1NNC(=O)[C@@H](O)C(C)C 840572012 NRMGYJLPBKCIDE-ZETCQYMHSA-N 240.263 -0.055 50 20 BBGD CN1CCC[C@@H]1C(=O)NNC(=O)c1cc[nH]n1 855358633 QIXRWXVDJGKEFS-MRVPVSSYSA-N 237.263 -0.735 50 20 BBGD CN1CCO[C@@H](C(=O)NNc2ccncn2)C1 857520678 IUSMBASUPMVCJC-MRVPVSSYSA-N 237.263 -0.750 50 20 BBGD CC(=O)NNC(=O)/C=C\CN1CCOCC1 864427586 SWCBMLMDUZZRJD-IHWYPQMZSA-N 227.264 -0.958 50 20 BBGD CCNC(=O)NC1(C(=O)NN)CCCC1 919973925 PCAHQNRDSARWKR-UHFFFAOYSA-N 214.269 -0.392 50 20 BBGD O=C(Cc1cc[nH]n1)NNC(=O)c1cnccn1 1115998915 WBDDQCZMVBXVJP-UHFFFAOYSA-N 246.230 -0.797 50 20 BBGD Cc1onc(CO)c1C(=O)NN(C)[C@@H](C)CO 1119047930 PNKGLOJLVGWDAL-LURJTMIESA-N 243.263 -0.567 50 20 BBGD O=C1CCC[C@H](C(=O)NNc2ncccn2)N1 1256575897 RAZQSKGKNPRPLX-SSDOTTSWSA-N 235.247 -0.412 50 20 BBGD COC(=O)C(=O)NN=Cc1ccccc1C(N)=O 1320661555 KOQJPZVMXXNJDS-UHFFFAOYSA-N 249.226 -0.591 50 20 BBGD CO[C@@H](C(=O)NNc1cnnn1C)C1CC1 1331392906 LPLWOSVMKCZUFT-MRVPVSSYSA-N 225.252 -0.317 50 20 BBGD C[C@H](O)CN(C)NC(=O)C[C@@H]1CCOC1 1332148568 MNSKKNFEADJOLE-IUCAKERBSA-N 216.281 -0.243 50 20 BBGD Cc1cc(NNC(=O)c2ncn(C)n2)nc(C)n1 1343516960 MLXULDYUJWKTCX-UHFFFAOYSA-N 247.262 -0.021 50 20 BBGD CN(NC(=O)C1(N)CCCC1)C(N)=O 1574078900 IUERSKHWRPDOMV-UHFFFAOYSA-N 200.242 -0.700 50 20 BBGD CCOC(=O)[C@@H](N)C(=O)NNc1ccccn1 1577922004 TUTRVZQLHUKGON-QMMMGPOBSA-N 238.247 -0.585 50 20 BBGD C[C@H](C(=O)O)C(=O)NNC(=O)NCC1CC1 1588573637 GZCPQKWYMXLJIW-YFKPBYRVSA-N 229.236 -0.553 50 20 BBGD COC(=O)N(C)NC(=O)[C@H]1C[C@H]1C(=O)O 1598875562 HZUSNOVDKUXLQO-CRCLSJGQSA-N 216.193 -0.564 50 20 BBGD Cc1cnc(C(=O)NNC(=O)NC2CC2)cn1 49144582 YANIRCWRHWJDQE-UHFFFAOYSA-N 235.247 -0.109 50 20 BBGD CC(C)NC(=O)C(=O)NNC(=O)[C@H](C)C(C)C 171958325 OGBODBHPCIINFO-MRVPVSSYSA-N 243.307 -0.050 50 20 BBGD COC(=O)N(C)NC(=O)CCn1cncn1 496727061 XJRLOHKQLWMXAT-UHFFFAOYSA-N 227.224 -0.602 50 20 BBGD C[C@H]1CN(C)C[C@@H]1NCc1cccc(B(O)O)c1 585029564 AWQNBMVYSHWVLW-GWCFXTLKSA-N 248.135 -0.594 50 20 BBGD C[C@H]1COCC[C@H]1NCc1ccc(B(O)O)o1 585038213 WKZBEAMMWCVWKT-WCBMZHEXSA-N 239.080 -0.526 50 20 BBGD N#CCc1ccc(C(=O)NNC(=O)CO)cc1 753437578 AKANARAPCFTDNM-UHFFFAOYSA-N 233.227 -0.494 50 20 BBGD COc1cc(C(C)=NNC(=O)CO)ccn1 782266755 DAQSBHDVBLJXLO-UHFFFAOYSA-N 223.232 -0.077 50 20 BBGD CC1(C)OCCC1=NNC(=O)C(=O)NC1CC1 814778190 UTVOXKBVWXHCFJ-UHFFFAOYSA-N 239.275 -0.064 50 20 BBGD C[C@@H](CO)N(C)NC(=O)c1ccnc2ccnn12 823907680 OJDVSYITGMFCDR-QMMMGPOBSA-N 249.274 -0.313 50 20 BBGD C[C@@H](CO)N(C)NC(=O)Cc1ccn(C)n1 823912780 LLUUFOWBIMFTSD-QMMMGPOBSA-N 226.280 -0.694 50 20 BBGD C[C@H](CO)N(C)NC(=O)[C@H]1CCCN1C 823959922 SFAAUHPNNUCNDL-RKDXNWHRSA-N 215.297 -0.576 50 20 BBGD CC(C)C#CC(=O)NNC(=O)c1cc[nH]n1 855354917 NCZJBEARGVOGTP-UHFFFAOYSA-N 220.232 -0.170 50 20 BBGD Cc1nc[nH]c1C(=O)NNC(=O)CN(C)C 896128246 IKDMIBULZUYUDZ-UHFFFAOYSA-N 225.252 -0.959 50 20 BBGD C[C@@H](O)CN(C)NC(=O)COCC1CC1 910170979 QESGMEFWVYPXFK-MRVPVSSYSA-N 216.281 -0.243 50 20 BBGD Cc1nn[nH]c1C(=O)NNC(=O)CC1CC1 1117735168 QVAHUMBSOJNKSQ-UHFFFAOYSA-N 223.236 -0.326 50 20 BBGD CC(=O)N1CC[C@@](C)(C(=O)NN(C)C(N)=O)C1 1319893000 SGERIHKPKVCIJY-SNVBAGLBSA-N 242.279 -0.713 50 20 BBGD COCCN(C)NC(=O)CCc1nc[nH]n1 1327099847 VTWMVSZXQGCTGH-UHFFFAOYSA-N 227.268 -0.653 50 20 BBGD O=C(c1ccco1)N1CC[C@H](B(O)O)C1 1335434944 ZKGMZTMRBJFNER-ZETCQYMHSA-N 209.010 -0.032 50 20 BBGD CC(C)(C)C(=O)NNC(=O)CNC1CC1 1574068162 WYVQNVPTXPFWJA-UHFFFAOYSA-N 213.281 -0.068 50 20 BBGD Cc1ccccc1C(=O)NNC(=O)CON 1579788694 QLVJOECZXHXPGO-UHFFFAOYSA-N 223.232 -0.354 50 20 BBGD CO[C@@](C)(C(=O)O)C(=O)NNc1ccncn1 1593927062 SSBYPVXSJXTDMP-SECBINFHSA-N 240.219 -0.591 50 20 BBGD COCC[C@@H](NC=C(C#N)C#N)C(=O)O 1599219362 XSQUODCDNRZOKM-MRVPVSSYSA-N 209.205 -0.003 50 20 BBGD O=C(O)C(=O)NN=Cc1cnn2ccccc12 1608530829 HWQLPFUGXHEDPK-UHFFFAOYSA-N 232.199 -0.131 50 20 BBGD C[C@@H]1C[C@@H]1C(=O)NNc1ccc(C(N)=O)nn1 154407424 MOFKOMVDPIKZNN-RITPCOANSA-N 235.247 -0.325 50 20 BBGD O=C(NNC(=O)[C@H]1CCCCO1)c1c[nH]nn1 157752716 VCCGJBWZKZDFGK-SSDOTTSWSA-N 239.235 -0.865 50 20 BBGD CCO[C@H]1C[C@](N)(C(=O)NN)C1(C)C 162532583 ZCCIHRLVBWRQIW-RCOVLWMOSA-N 201.270 -0.491 50 20 BBGD C[C@@]1(NC(=O)c2cccc(B(O)O)c2)CCOC1 584966618 GNDVKXSJUOSTKJ-GFCCVEGCSA-N 249.075 -0.725 50 20 BBGD Cc1cc(CNCc2ccc(B(O)O)o2)on1 585033146 YPNWHPKELHXVJI-UHFFFAOYSA-N 236.036 -0.454 50 20 BBGD CN(C)C(=O)NNC(=O)[C@H]1CCCO1 755773854 CADAJLGXELWPLN-ZCFIWIBFSA-N 201.226 -0.532 50 20 BBGD CCc1cc(C(=O)NNc2cnnn2C)n[nH]1 816771398 LADIQNUABLTWDB-UHFFFAOYSA-N 235.251 -0.143 50 20 BBGD CN(NC(=O)CSc1n[nH]c(O)n1)C1CC1 819649738 KBFAGEDWUAYDAG-UHFFFAOYSA-N 243.292 -0.272 50 20 BBGD C#C[C@@H](C)NC(=O)NNC(=O)[C@@H]1CCCCO1 820401032 VABPGMKTHQMESU-BDAKNGLRSA-N 239.275 -0.092 50 20 BBGD COC(=O)N(C)NC(=O)CN1CCCC1 822838249 TWHMHWWOMQZGCR-UHFFFAOYSA-N 215.253 -0.188 50 20 BBGD CCN(CCO)NC(=O)Cn1ccccc1=O 823838923 YMEHKXJNUVIIKG-UHFFFAOYSA-N 239.275 -0.806 50 20 BBGD CCN(CCO)NC(=O)CCCC(=O)N(C)C 823860249 OTKCTXQFJRRXTM-UHFFFAOYSA-N 245.323 -0.410 50 20 BBGD CCn1ccc(CC(=O)NNC(=O)N(C)C)n1 845335656 GUUOQAIOHZNFQB-UHFFFAOYSA-N 239.279 -0.252 50 20 BBGD CNC(=S)N(C)NC(=O)c1cn(C)nc1C 854923624 CBSDUFQYPHJRBK-UHFFFAOYSA-N 241.320 -0.191 50 20 BBGD CN(C)CC(=O)NNC(=O)CCCF 857107883 ACTPWLFMLVPXNH-UHFFFAOYSA-N 205.233 -0.555 50 20 BBGD CCOC(=O)NNC(=O)[C@H](CC)NC(C)=O 864430007 KCWONMAMOPWLLG-ZETCQYMHSA-N 231.252 -0.322 50 20 BBGD CCO[C@@H](C)C(=O)NNC(=O)NCCCOC 920862604 BVQYKRZBZNGNIA-QMMMGPOBSA-N 247.295 -0.222 50 20 BBGD CN(C)c1ncccc1C=NNC(=O)C(N)=O 1117482193 RUGQGXDTCCUPOS-UHFFFAOYSA-N 235.247 -0.917 50 20 BBGD COC(=O)C(=O)NN=C1COC(C)(C)C1 1118024331 CYMJOXBGBFPOJW-UHFFFAOYSA-N 214.221 -0.170 50 20 BBGD CCn1ccc(C(=O)NN(C)C[C@@H](C)O)n1 1119645152 PAWKFFZNFPNFBI-MRVPVSSYSA-N 226.280 -0.140 50 20 BBGD C[C@@H](CS(C)(=O)=O)C(=O)NNC(=O)C1CC1 1318875731 CEUOVJGWXDTKOE-LURJTMIESA-N 248.304 -0.776 50 20 BBGD CCNC(=O)NNC(=O)c1cc2n(n1)CCO2 1324036848 KWIMMTKVWSKXAC-UHFFFAOYSA-N 239.235 -0.761 50 20 BBGD Cc1nc(C)c(C(=O)NNC(=O)N(C)C)[nH]1 1334748617 WMTBFOMHLXGHBX-UHFFFAOYSA-N 225.252 -0.057 50 20 BBGD CCC(=O)NNc1ccc(C(N)=O)nn1 1340251434 TXRKSNAXSMBWOG-UHFFFAOYSA-N 209.209 -0.571 50 20 BBGD O=C(CCc1nc[nH]n1)NN=c1cc[nH]cc1 1342038884 ZKVYOMLDBLXWQL-UHFFFAOYSA-N 232.247 -0.303 50 20 BBGD CCN(CCO)NC(=O)[C@@]1(C)CC(C)=NO1 1358319435 BLRZGBHAXSGCHL-SNVBAGLBSA-N 229.280 -0.113 50 20 BBGD Cn1cc(C(=O)NNC(=O)[C@@H]2C[C@@H]2F)cn1 1517381422 AXLDLYHETBGTBJ-RQJHMYQMSA-N 226.211 -0.461 50 20 BBGD C=C(CC)C(=O)NNC(=O)C(=O)NC(C)C 1518800913 QFFINXCBUKOYSU-UHFFFAOYSA-N 227.264 -0.375 50 20 BBGD CC[C@@](C)(C#N)C(=O)NNC(=O)C(C)(C)O 286638415 BGWSHOYOFXQLMV-JTQLQIEISA-N 227.264 -0.155 50 20 BBGD COC(=O)NNC(=O)CN(C)[C@@H]1CCSC1 495906155 UNQFLIWJARKOCR-SSDOTTSWSA-N 247.320 -0.189 50 20 BBGD C=CCOCCNCc1cccc(B(O)O)c1 585050066 PZXWPKQNPYAYLL-UHFFFAOYSA-N 235.092 -0.341 50 20 BBGD CCCN(C)CC(=O)NNC(=O)NCC 741211660 JUAMDPGWBOBBAT-UHFFFAOYSA-N 216.285 -0.322 50 20 BBGD C[C@H]1C[C@@H]1C(=O)NNC(=O)c1ncccn1 743339309 LLUPQWPBOHJPIO-BQBZGAKWSA-N 220.232 -0.106 50 20 BBGD O=C(NNC(=O)c1ncccn1)c1ccncc1 746090737 OPYDMIPFVDRALP-UHFFFAOYSA-N 243.226 -0.054 50 20 BBGD CO[C@@H](C(=O)NNC(=O)CN(C)C)C(C)C 771740727 IQSNZDKYNHADEA-SECBINFHSA-N 231.296 -0.634 50 20 BBGD CCNC(=O)N(C)NC(=O)Cc1ccn(C)n1 782851831 UOEIQBPACFUHMM-UHFFFAOYSA-N 239.279 -0.345 50 20 BBGD CCN(CCO)NC(=O)c1cccc(C#N)n1 823884863 MQOUIWKWGJJKGQ-UHFFFAOYSA-N 234.259 -0.088 50 20 BBGD C[C@@H](CO)N(C)NC(=O)c1cccc2ncnn12 823935416 RPYVKROJZYSPBN-QMMMGPOBSA-N 249.274 -0.313 50 20 BBGD O=C(NNC(=O)C1CCC1)c1ncon1 832821664 XERJIFDXSVRSIG-UHFFFAOYSA-N 210.193 -0.369 50 20 BBGD CC[C@@H](SC)C(=O)NNC(=O)c1ncon1 832825948 MRMMJEGLZPBBKZ-RXMQYKEDSA-N 244.276 -0.028 50 20 BBGD O=C(CCN1CCCC1=O)NNc1ccncn1 857520970 VSQOPOIRKCKYJW-UHFFFAOYSA-N 249.274 -0.068 50 20 BBGD CN(C)CC(=O)NNC(=O)[C@@]12CCC[C@@H]1C2 894133943 GGJWQHYKIRKPPZ-LDYMZIIASA-N 225.292 -0.114 50 20 BBGD Cc1ccnn1CC(=O)NN(C)C[C@H](C)O 910141094 WZPMHNUEEQKMJJ-VIFPVBQESA-N 226.280 -0.465 50 20 BBGD C[C@H](O)CN(C)NC(=O)[C@H](O)c1ccccn1 910152208 JQBAPSGHHNRDBK-WCBMZHEXSA-N 239.275 -0.541 50 20 BBGD C[C@@H](O)CN(C)NC(=O)CC1OCCO1 910159077 HIFMAURMWOYURS-SSDOTTSWSA-N 218.253 -0.907 50 20 BBGD CNC(=O)NN=C(C)c1cc(C(N)=O)n(C)c1 920377311 ULBPRSQWCQTJIL-UHFFFAOYSA-N 237.263 -0.223 50 20 BBGD Cn1ccc(NNC(=O)[C@@H]2CCOC2)n1 1321105475 PQBWQPAZOZUIIO-SSDOTTSWSA-N 210.237 -0.100 50 20 BBGD Cn1cnc(C(=O)NNC(=O)NCC2CC2)c1 1335905699 LBTBFGWOWRILBQ-UHFFFAOYSA-N 237.263 -0.226 50 20 BBGD Cn1ccc(/C=C(\C#N)S(N)(=O)=O)n1 1344578043 APGRYOZJPDSJFJ-QPJJXVBHSA-N 212.234 -0.427 50 20 BBGD CNC(=O)NNC(=O)[C@@H]1CC[C@H]1C(=O)O 1574039078 OMNWXNMLWKNERE-RFZPGFLSSA-N 215.209 -0.943 50 20 BBGD CC(C)NC(=S)NNC(=O)[C@@H]1NC[C@@H]2C[C@@H]21 1575723228 XIRVDYJYRMBKHB-BIIVOSGPSA-N 242.348 -0.502 50 20 BBGD C[C@H]1NCC[C@@H]1C(=O)NNC(=O)c1cccnn1 1576886968 WANRNILKGPURKK-SFYZADRCSA-N 249.274 -0.764 50 20 BBGD Cn1ncc(N)c1C(=O)NNc1ncccn1 1580005010 QXCZIDHLGQPKNG-UHFFFAOYSA-N 233.235 -0.451 50 20 BBGD C[C@H](O)CN(C)NC(=O)CCCC(=O)O 1593457041 OJGGKYSKWTYDQK-ZETCQYMHSA-N 218.253 -0.415 50 20 BBGD CC[C@H](C)[C@H](C)NC(=O)NNC(=O)C(=O)O 1609898600 HGFOHHOWOOSMNM-WDSKDSINSA-N 231.252 -0.164 50 20 BBGD Cn1cc(C(=O)NNC(=O)c2ccc[nH]2)cn1 102491823 UJWXXCMHRGWTBV-UHFFFAOYSA-N 233.231 -0.177 50 20 BBGD CCC[C@H](C)CC(=O)NNC(=O)CO 182753334 CFZOFWDOEYMNGX-ZETCQYMHSA-N 202.254 -0.048 50 20 BBGD CCC[C@@](C)(O)C(=O)NNC(=O)NC 269320478 RRXXTLOVMFXAFD-MRVPVSSYSA-N 203.242 -0.502 50 20 BBGD CN1C(=O)[C@H]2CCN(C(=O)CCl)C[C@@H]2C1=O 409426047 HJARPLLPKSDVDM-BQBZGAKWSA-N 244.678 -0.312 50 20 BBGD CN(C(=O)COc1ccc(B(O)O)cc1)C1CC1 584909447 LQFDZLZVZBGNQC-UHFFFAOYSA-N 249.075 -0.634 50 20 BBGD OB(O)c1ccc(CN2CCc3n[nH]cc3C2)o1 585050430 YMPDSECEYZEAKY-UHFFFAOYSA-N 247.063 -0.759 50 20 BBGD O=C(COCC1CC1)N1CC[C@H](B(O)O)C1 585077197 QGMJQLMBSGADPS-VIFPVBQESA-N 227.069 -0.512 50 20 BBGD CCOCC(=O)NNC(=O)N[C@H](CC)COC 739050847 YIIQTVMNEHURFU-MRVPVSSYSA-N 247.295 -0.222 50 20 BBGD CN(C)CC(=O)NNC(=O)Nc1cnn(C)c1 763267575 LDTKXPMCKXZZAG-UHFFFAOYSA-N 240.267 -0.866 50 20 BBGD CN(NC(=O)c1ccnc(N(C)C)c1)C(N)=O 770439585 LEIBPCVMYMPOAP-UHFFFAOYSA-N 237.263 -0.197 50 20 BBGD COc1ccc2c(c1)OCC2=NNC(=O)CO 776779836 CMZAIIBLPNVDPB-UHFFFAOYSA-N 236.227 -0.100 50 20 BBGD Cc1ccc(C(=O)NNC(=O)c2cnn(C)n2)o1 786299964 FWSRHNBYSJUDMJ-UHFFFAOYSA-N 249.230 -0.209 50 20 BBGD COCC(=O)NNC(=S)NC1(C)CC1 789271095 RXEODZNPROUFDM-UHFFFAOYSA-N 217.294 -0.319 50 20 BBGD CNC(=O)CCCC(=O)NNC(=O)CC1CC1 819131938 RMNOIJGPXHAMAI-UHFFFAOYSA-N 241.291 -0.150 50 20 BBGD C[C@H](CO)N(C)NC(=O)c1ccnc2ccnn12 823907679 OJDVSYITGMFCDR-MRVPVSSYSA-N 249.274 -0.313 50 20 BBGD CCC[C@@](C)(O)C(=O)NNC(=O)c1cn[nH]c1 862472565 MWICJJAHIAVHCO-SNVBAGLBSA-N 240.263 -0.278 50 20 BBGD C[C@H]1CC(=NC(=O)c2cccc(B(O)O)c2)NO1 863878606 SWSBLNFLCSLISO-ZETCQYMHSA-N 248.047 -0.782 50 20 BBGD COCCN(C)NC(=O)[C@@H]1CCCNC1=O 868242518 PZMFSBJZWSZIFF-MRVPVSSYSA-N 229.280 -0.878 50 20 BBGD COCCOCC(=O)NNC(=O)C1CCCC1 914842653 IMEAXVNRIKTTTL-UHFFFAOYSA-N 244.291 -0.013 50 20 BBGD CCOCCO[C@@H](C)C(=O)NNC(C)=O 920430458 SZLZLVQBYKXVAO-ZETCQYMHSA-N 218.253 -0.405 50 20 BBGD CCC[C@H](NNC(=O)C(=O)OC)C(=O)OCC 1252517847 CAPVHAFMXARBSL-ZETCQYMHSA-N 246.263 -0.488 50 20 BBGD CNC(=O)C(=O)NNc1cccnc1Cl 1257192113 AEAUPEDKUHLIPF-UHFFFAOYSA-N 228.639 -0.076 50 20 BBGD CCC(=O)N1CC[C@@H](C(=O)NNC(C)=O)C1 1261253351 ZZQZBHJFBVGGLP-MRVPVSSYSA-N 227.264 -0.588 50 20 BBGD CCOC(=O)NNC(=O)CCS(C)(=O)=O 1319056902 JONONXFFURGIGX-UHFFFAOYSA-N 238.265 -0.802 50 20 BBGD Cc1ncoc1C(=O)NNC(=O)c1cnn(C)c1 1322368125 VCVPTYPFOGMVJB-UHFFFAOYSA-N 249.230 -0.209 50 20 BBGD COC(=O)C(=O)NNC(=O)NCCC1(C)CC1 1339564570 NRFXGYICZMSWFJ-UHFFFAOYSA-N 243.263 -0.320 50 20 BBGD CC[C@@](C)(N)C(=O)NNc1nnc(C)n1C 1574074407 UDBUJLFXELNEIV-SECBINFHSA-N 226.284 -0.306 50 20 BBGD Cc1cc(CC(=O)NNC(=O)[C@H]2CCN2)no1 1579590440 ZWRRQDDOPOHPDI-MRVPVSSYSA-N 238.247 -0.965 50 20 BBGD C[C@H](NNC(=O)COCC(=O)O)C(F)(F)F 1603250750 KRQWORJLEKQNPJ-BYPYZUCNSA-N 244.169 -0.341 50 20 BBGD CNC(=O)NNC(=O)CCn1cc(C)cn1 48950924 CGZQOJJZUXLOEP-UHFFFAOYSA-N 225.252 -0.458 50 20 BBGD CCOC(=O)NNC(=O)Cc1cnn(C)c1 72064110 QMTVNRHFYVAXOQ-UHFFFAOYSA-N 226.236 -0.260 50 20 BBGD COCc1cccc(C(=O)NNC(=O)CO)c1 180944228 CJADLSBBJOYCPL-UHFFFAOYSA-N 238.243 -0.414 50 20 BBGD O=C(CO)NNC(=O)c1ccc2c(c1)CCC2 182772019 IDMOZPGIZVHXDR-UHFFFAOYSA-N 234.255 -0.071 50 20 BBGD CSCCNC(=O)c1ccc(B(O)O)cc1 585007834 IMSYDBIGWGGYLZ-UHFFFAOYSA-N 239.105 -0.541 50 20 BBGD CC[C@@H](NCc1cccc(B(O)O)c1)[C@@H](C)O 585044828 VRXYOPIHUMAHIK-BXKDBHETSA-N 237.108 -0.385 50 20 BBGD Cc1c(C(=O)NCB(O)O)cnn1CC(C)C 585062917 PQYDAODUZDTGCK-UHFFFAOYSA-N 239.084 -0.411 50 20 BBGD O=C(CO)NNC(=O)c1cccc(Cl)c1O 753443107 RXHNMCGRZXCGTB-UHFFFAOYSA-N 244.634 -0.201 50 20 BBGD C#CCNC(=S)NNC(=O)NC(C)C 758216499 ZXYQPADMXHABET-UHFFFAOYSA-N 214.294 -0.294 50 20 BBGD CN1CC[C@@H](C(=O)NNc2cnccn2)C1=O 775280608 JGYIEVCXGYRMRH-ZETCQYMHSA-N 235.247 -0.602 50 20 BBGD O=C(NNc1nc[nH]n1)[C@H]1CCCOC1 816634065 XMSGIFZBVFIDPU-LURJTMIESA-N 211.225 -0.326 50 20 BBGD CCN(CCO)NC(=O)c1cnc2n1CCC2 823893712 TZEJXBVAMSGPTL-UHFFFAOYSA-N 238.291 -0.212 50 20 BBGD CC(C)C(=O)NNC(=O)[C@H]1CCOC(=O)N1 858143473 KTFFQSMONMDDAD-ZCFIWIBFSA-N 229.236 -0.712 50 20 BBGD C[C@@H]1CC(=NC(=O)c2ccc(B(O)O)cc2)NO1 863877524 GKDNKUJDAJYIDB-SSDOTTSWSA-N 248.047 -0.782 50 20 BBGD CCCCS(=O)(=O)N1CCC[C@H]1C(=O)NN 916039923 JUYUHXRMUPZDAN-QMMMGPOBSA-N 249.336 -0.429 50 20 BBGD C=C(C)CNC(=S)NNC(=O)COC 920436849 ILAKFPGCSHIUIY-UHFFFAOYSA-N 217.294 -0.296 50 20 BBGD C[C@H](O)CN(C)NC(=O)CCc1ncc[nH]1 1119643803 GEMJUOLNTBKXFD-QMMMGPOBSA-N 226.280 -0.314 50 20 BBGD CCc1n[nH]cc1C(=O)NNC(=O)NC 1251227866 RWGGXVQSFPTGRY-UHFFFAOYSA-N 211.225 -0.454 50 20 BBGD O=C1CC[C@@H](C(=O)NNc2ncccn2)N1 1261845066 MVAVVJUGHJNGHF-LURJTMIESA-N 221.220 -0.802 50 20 BBGD O=C(NNC(=O)C(=O)NCC1CC1)NC1CC1 1320663351 UZHFXFXGUDZQFL-UHFFFAOYSA-N 240.263 -0.995 50 20 BBGD COC(=O)C(=O)NN=C1C[C@@H](C)O[C@@H]1C 1325317566 CQGGZJTYRLAKCE-PHDIDXHHSA-N 214.221 -0.171 50 20 BBGD O=C(c1cccc(F)n1)N1CC[C@@H](B(O)O)C1 1329213981 CLKGEJSRZQTEFP-SSDOTTSWSA-N 238.027 -0.090 50 20 BBGD Cc1nn(CCO)c(C)c1C=NNC(N)=O 1338560491 CDQOLEKLTBNZLP-UHFFFAOYSA-N 225.252 -0.506 50 20 BBGD CC(C)(O)C(=O)NNC(=O)C[C@H](N)C(C)(C)C 1575378210 KFQADHHPBBLWGE-ZETCQYMHSA-N 245.323 -0.332 50 20 BBGD Cc1ccccc1C(=O)NNC(=O)C(N)=O 5943144 XYLUHYZHWVBLGQ-UHFFFAOYSA-N 221.216 -0.759 50 20 BBGD O=C1OC(=O)C([C@@H]2COCCO2)=C1Cl 101028214 XKLQOVLLZJCAOI-BYPYZUCNSA-N 218.592 -0.022 50 20 BBGD O=C1CC(C(=O)NNc2cnccn2)C1 183540583 GXDVQJPOJATPLW-UHFFFAOYSA-N 206.205 -0.101 50 20 BBGD CC1(NCc2ccc(B(O)O)o2)CCC1 585033297 CNMAVGUJCDOPPY-UHFFFAOYSA-N 209.054 -0.008 50 20 BBGD Cc1cc(C(=O)NCB(O)O)c2c(C)noc2n1 585060698 IHDCDBLJDIYXFD-UHFFFAOYSA-N 249.035 -0.419 50 20 BBGD O=C1CC(C(=O)NNC(=O)C2CCCC2)=NN1 732271546 JQKZUPMAYNYUOD-UHFFFAOYSA-N 238.247 -0.800 50 20 BBGD CC(C)c1ocnc1C(=O)NNC(=O)CO 753444353 KPFRZXZSWFICEL-UHFFFAOYSA-N 227.220 -0.449 50 20 BBGD CN(NC(=O)[C@H]1C[C@H]2CC[C@H]1O2)C(N)=O 778416565 CLLRNCBXBIRPLV-DSYKOEDSSA-N 213.237 -0.404 50 20 BBGD CCO[C@H](C)C(=O)NNC(=O)C(C)(C)O 787947503 RGVASYIMYHPRTD-ZCFIWIBFSA-N 218.253 -0.670 50 20 BBGD CC(Cn1cccn1)=NNC(=O)CN(C)C 814832347 MKAVKXRHWMXJDZ-UHFFFAOYSA-N 223.280 -0.063 50 20 BBGD CO[C@@H](C(=O)NN(C)[C@H](C)CO)C1CC1 823927789 GIUXRWJQEMWBTQ-VXNVDRBHSA-N 216.281 -0.245 50 20 BBGD CC(=O)NC(C)(C)C(=O)NN(C)[C@@H](C)CO 823965827 UJUUUYSFTJKTSX-ZETCQYMHSA-N 231.296 -0.755 50 20 BBGD CCc1[nH]ccc1C(=O)NNC(=O)CO 846637434 WUCUNZUVADQAMT-UHFFFAOYSA-N 211.221 -0.670 50 20 BBGD O=C(NNC(=O)[C@@H]1CCC=CO1)c1cc[nH]n1 855357983 XFPUSMWAZVGTOK-QMMMGPOBSA-N 236.231 -0.137 50 20 BBGD C[C@@H]1COCCC1=NNC(=O)[C@@H]1CCC(=O)N1 863153091 MNVKHMZFYSUMJS-APPZFPTMSA-N 239.275 -0.206 50 20 BBGD CNC(=O)NNC(=O)[C@]1(OC)CCSC1 900352459 FORKSJZTOQBDKF-QMMMGPOBSA-N 233.293 -0.531 50 20 BBGD CC[C@@H](CO)C(=O)NNC(=O)[C@@H]1CCCCO1 908517797 QNDZIHSCJRQMFC-IUCAKERBSA-N 244.291 -0.279 50 20 BBGD CCO/C=C(/C#N)C(=O)NN(C)C[C@@H](C)O 910160814 PJIJXEVVHDMMFP-XZZQCUQZSA-N 227.264 -0.226 50 20 BBGD O=C(CC(F)(F)F)NNC(=O)c1cnn[nH]1 918367544 YIMHLZKKVSZWJK-UHFFFAOYSA-N 237.141 -0.482 50 20 BBGD CC(C)C(=O)NNC(=O)[C@@H]1CCC(=O)NC1 1115851554 CGKFTRSEFFMVCP-SSDOTTSWSA-N 227.264 -0.684 50 20 BBGD CC#CCCNC(=O)NNC(=O)c1cccnn1 1119346430 BCFIMRMLCMFLLI-UHFFFAOYSA-N 247.258 -0.166 50 20 BBGD O=C(CC1COC1)NNC(=O)N1CCOCC1 1119527399 PNXNJQWMUVRJQA-UHFFFAOYSA-N 243.263 -0.904 50 20 BBGD C[C@H]1OCC[C@@H]1C(=O)NN=Cc1ncnn1C 1261480075 DVXPTBQZSGAURZ-SFYZADRCSA-N 237.263 -0.310 50 20 BBGD C#CCCCC(=O)NNC(=O)CCn1cncn1 1334791450 SWORKZGXBXNJRN-UHFFFAOYSA-N 249.274 -0.381 50 20 BBGD CCNC(=O)NNC(=O)CCc1nccn1C 1346318765 ODXNNQATZPXERQ-UHFFFAOYSA-N 239.279 -0.297 50 20 BBGD COC(=O)N(C)NC(=O)N[C@@]1(C)CCOC1=O 1346944903 JMGRGCNGZQJLOY-VIFPVBQESA-N 245.235 -0.396 50 20 BBGD CCn1cncc1C=NNC(=O)[C@@H]1CCC(=O)N1 1348410815 CQWXAERTOZLMLG-VIFPVBQESA-N 249.274 -0.368 50 20 BBGD CN(C)C(=O)NNC(=O)[C@H]1CC[C@@H](C(=O)O)C1 1573982858 GRKHLAWEFJQRDE-NKWVEPMBSA-N 243.263 -0.210 50 20 BBGD CC(=O)NNC(=O)[C@]1(C)C[C@H](N)CCO1 1575015266 PMSZMMXNPAPXQN-APPZFPTMSA-N 215.253 -0.950 50 20 BBGD Cc1ccc(C(=O)NNC(=O)c2c[nH]nn2)o1 170901466 PAOLQHPQVJJSRM-UHFFFAOYSA-N 235.203 -0.219 50 20 BBGD C=CCNC(=S)NNC(=O)N(C)C 388663879 WBNVNJKVSXMMRA-UHFFFAOYSA-N 202.283 -0.177 50 20 BBGD C#CCN1CCC(C(=O)NNC(=O)C2CC2)CC1 490555676 IPOCYGVKQMGRGE-UHFFFAOYSA-N 249.314 -0.111 50 20 BBGD COCCCNCc1ccc(B(O)O)o1 585013973 DWNYPUBPULCMRU-UHFFFAOYSA-N 213.042 -0.915 50 20 BBGD CC(C)(O)CNCc1ccc(B(O)O)cc1F 585022864 BOFTULQSAQIWPW-UHFFFAOYSA-N 241.071 -0.634 50 20 BBGD C[C@@H]1CN(C)C[C@H]1NCc1cccc(B(O)O)c1 585029567 AWQNBMVYSHWVLW-ZWNOBZJWSA-N 248.135 -0.594 50 20 BBGD Cc1cccc(OCCC(=O)NCB(O)O)c1 585057472 VDUFJYZCVNXSKX-UHFFFAOYSA-N 237.064 -0.108 50 20 BBGD CC(C)(C(=O)NCB(O)O)[C@@H]1CCCCO1 585068257 ZDZRTADZZLMXGY-QMMMGPOBSA-N 229.085 -0.290 50 20 BBGD CCOCCCC(=O)N1CC[C@@H](B(O)O)C1 585074992 FDZNXKGRKHZVHK-SECBINFHSA-N 229.085 -0.122 50 20 BBGD O=C(CO)NNC(=O)c1ccncc1Cl 753436630 BDAFZYUZIOFFIT-UHFFFAOYSA-N 229.623 -0.512 50 20 BBGD COCCC(=NNC(=O)CO)C1CCOCC1 764907293 HJVCPLGWBJFCNV-UHFFFAOYSA-N 244.291 -0.086 50 20 BBGD C[C@@H]1C[C@@H](C)[C@H](C(=O)NNC(=O)C(C)(C)O)O1 800546153 AYMOKMJOGFDONE-BWZBUEFSSA-N 244.291 -0.282 50 20 BBGD C[C@@H](CO)N(C)NC(=O)c1ccn(C)c(=O)c1 823977304 UCKLQENQLONDHY-QMMMGPOBSA-N 239.275 -0.657 50 20 BBGD CCn1ccc(NC(=O)NNC(=O)COC)n1 824942720 BPZHZFQKEKUSOR-UHFFFAOYSA-N 241.251 -0.298 50 20 BBGD CCNC(=O)N(C)NC(=O)[C@H](C)C(=O)O 842651092 QNPHTMPCFWIWBT-YFKPBYRVSA-N 217.225 -0.600 50 20 BBGD O=C(NNC(=O)[C@H]1CC1(F)F)c1cn[nH]c1 862469375 ISUMWBRATLDYRA-RXMQYKEDSA-N 230.174 -0.174 50 20 BBGD O=C1CC[C@H](C(=O)NN=Cc2ccc(O)nc2)N1 863151954 YSJHWFFCXRAIRH-MRVPVSSYSA-N 248.242 -0.484 50 20 BBGD OC[C@@H](NCc1ccc(B(O)O)cc1)C1CC1 877044599 DDBJVBBTIIJBKF-GFCCVEGCSA-N 235.092 -0.773 50 20 BBGD CCNC(=O)N(C)NC(=O)CC(=O)OC 907252801 KYZOSUAAQQQQRG-UHFFFAOYSA-N 217.225 -0.758 50 20 BBGD COC(=O)C1(C(=O)NN(C)C[C@H](C)O)CC1 910158022 CCMKHMZJJRSYRO-ZETCQYMHSA-N 230.264 -0.717 50 20 BBGD C[C@H](O)CN(C)NC(=O)[C@](C)(O)C1CC1 910158995 YDNYBTBEFMSYHI-OIBJUYFYSA-N 216.281 -0.509 50 20 BBGD O=C(CO)NNC(=O)c1ncc(Cl)s1 1116861457 RYUJBAGDIBPJDW-UHFFFAOYSA-N 235.652 -0.450 50 20 BBGD CN(NC(=O)Cc1cscn1)C(N)=O 1118803348 VYXAJPRWOVIGDJ-UHFFFAOYSA-N 214.250 -0.273 50 20 BBGD COC(=O)C(=O)NNC(=O)NC[C@H]1C=CCC1 1262032955 KECVKLYBHYJJBD-ZETCQYMHSA-N 241.247 -0.544 50 20 BBGD CNC(=O)NNC(=O)CC[C@H]1CCOC1 1319120695 UBBMHQSPYJJDPU-ZETCQYMHSA-N 215.253 -0.237 50 20 BBGD N#CCC(=O)NNC(=O)Cc1ccncc1 1320506071 ZUGVNLILMMGFFE-UHFFFAOYSA-N 218.216 -0.315 50 20 BBGD N#Cc1cc(C(=O)NNc2nc[nH]n2)c[nH]1 1325023835 YYZJYWJUMHIJSL-UHFFFAOYSA-N 217.192 -0.239 50 20 BBGD NC(=O)[C@@H]1CC[C@H]1C(=O)NNc1ccncn1 1327112418 JCBMHQKKRWDLSQ-RNFRBKRXSA-N 235.247 -0.569 50 20 BBGD COCC(=O)NN=Cc1cc(C(=O)O)nn1C 1776048693 RGKGGCDQUNNVIW-UHFFFAOYSA-N 240.219 -0.785 50 20 BBGD CN(CC(N)=O)S(=O)(=O)CCCCCl 162539097 XWBBFFGHURQCRQ-UHFFFAOYSA-N 242.728 -0.248 50 20 BBGD N#C[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)C1 202051790 HWTUNLGVQAYBSX-SECBINFHSA-N 244.059 -0.648 50 20 BBGD CC(=O)NNC(=O)[C@@H](C(C)C)N1CCCC1=O 299542732 PGNYHCGGOVUWCJ-SNVBAGLBSA-N 241.291 -0.199 50 20 BBGD CCO/C=C(\C#N)C(=O)N(C)[C@@H]1CCNC1=O 490782249 IUMFAMDAIKBHEC-FCZSHJHJSA-N 237.259 -0.223 50 20 BBGD COCCN(C)NC(=O)[C@H]1NC(=O)O[C@H]1C 495933873 KKLRIJUILKSFLM-BQBZGAKWSA-N 231.252 -0.907 50 20 BBGD OB(O)c1cccc(CNCC2CCOCC2)c1 585019673 FDUKWHPZOUDRGE-UHFFFAOYSA-N 249.119 -0.117 50 20 BBGD CN(C)C1(CNCc2ccc(B(O)O)cc2)CC1 585045547 CWGMUJAMYYYFHY-UHFFFAOYSA-N 248.135 -0.450 50 20 BBGD CCCCNC(=O)NNC(=O)CN(C)C 727373989 SVGJFZNCGXCVBW-UHFFFAOYSA-N 216.285 -0.322 50 20 BBGD CC(=O)NNC(=O)CCCNC(=O)O 736155584 JYYFRCOVEFGHCW-UHFFFAOYSA-N 203.198 -0.799 50 20 BBGD C[C@@H]1CC[C@H](C(=O)NNC(=O)CO)C1 753443819 CEEKCCAPTAPBKK-RQJHMYQMSA-N 200.238 -0.438 50 20 BBGD C[C@](O)(C(=O)NNC(=O)NCC1CC1)C1CC1 804303820 ZWHUJZFPVKSJIG-LLVKDONJSA-N 241.291 -0.112 50 20 BBGD CCOCC(=O)NNC(=O)N[C@@H](C)CN(C)C 807577374 OQUPZHSKUWNIQG-QMMMGPOBSA-N 246.311 -0.697 50 20 BBGD COCCN(C)NC(=O)CCc1cncn1C 816561490 ZLDDHNBGTOVTDZ-UHFFFAOYSA-N 240.307 -0.038 50 20 BBGD Cn1nc(C(=O)NNC(=O)CC2CC2)cc1O 854667952 UILWQNUUYGZYNS-UHFFFAOYSA-N 238.247 -0.313 50 20 BBGD C=C[C@](C)(O)C(=O)NN(C)C(=S)NC 854927348 DPAWEVSYDKZIGC-QMMMGPOBSA-N 217.294 -0.609 50 20 BBGD CC[C@@H](OC)C(=O)NNC(=O)c1cc[nH]n1 855359057 DIMVGUYDJJCPEA-SSDOTTSWSA-N 226.236 -0.404 50 20 BBGD CO[C@@H](C)C(=O)NNC(=O)c1cn[nH]c1 862474067 FFTXTCHXCPPAFC-YFKPBYRVSA-N 212.209 -0.794 50 20 BBGD CC(=NNC(=O)[C@@H]1CCC(=O)N1)[C@@H]1CCCO1 863147540 IJGGCHWZHVHJOD-IUCAKERBSA-N 239.275 -0.064 50 20 BBGD C#C[C@@H](CC)NC(=O)c1ccc(B(O)O)cc1 863880155 PMPUSAWQBIIIGZ-NSHDSACASA-N 231.060 -0.492 50 20 BBGD O=C(NNc1cccnn1)c1nc[nH]n1 1116546032 PVRXJLJOLMKHLC-UHFFFAOYSA-N 205.181 -0.648 50 20 BBGD CC[C@H](F)C(=O)NNC(=O)C(C)(C)O 1262619831 KSRQRRZZUYBMLI-YFKPBYRVSA-N 206.217 -0.347 50 20 BBGD Cc1cc(=O)c(C(=O)NNC(=O)C2CC2)cn1C 1321302853 FUUNMJAKDLEUTF-UHFFFAOYSA-N 249.270 -0.135 50 20 BBGD NC[C@@H]1OCC[C@@H]1C(=O)NNc1ncccn1 1327595677 AFBYWSBIRZKIGU-YUMQZZPRSA-N 237.263 -0.717 50 20 BBGD CC(=O)NCCCCCC(=O)NNC(C)=O 1338019943 JALXBNCSIFRYSV-UHFFFAOYSA-N 229.280 -0.150 50 20 BBGD C#CCNCC(=O)NNc1nc(C)cc(OC)n1 1341566207 ALTRNPZBRJZKPY-UHFFFAOYSA-N 249.274 -0.540 50 20 BBGD CC(C)NC(=O)C(=O)NNC(=O)c1ccoc1 48482470 IWNLJULKENFKKY-UHFFFAOYSA-N 239.231 -0.435 50 20 BBGD CN(C)CC(=O)NNC(=O)Cc1ccccc1 171179467 OZMHWCOSPBPWMX-UHFFFAOYSA-N 235.287 -0.062 50 20 BBGD COC(=O)N(C)NC(=O)c1c[nH]nc1[N+](=O)[O-] 496505276 OTCSFUCTMAQARN-UHFFFAOYSA-N 243.179 -0.339 50 20 BBGD CN(NC(=O)CCN1CCOC1=O)C1CC1 496725422 FJQYSEASPMHUDN-UHFFFAOYSA-N 227.264 -0.046 50 20 BBGD CC[C@H](OC)C(=O)Nc1cccc(B(O)O)c1 584911791 YVBFTIMDPGYGAK-JTQLQIEISA-N 237.064 -0.270 50 20 BBGD O=C(NCCCF)c1cccc(B(O)O)c1 584963343 RWUHLXHGASIXFP-UHFFFAOYSA-N 225.028 -0.544 50 20 BBGD CC[C@@](C)(O)CNCc1ccccc1B(O)O 585014904 IEAHULQSWJZZTE-GFCCVEGCSA-N 237.108 -0.383 50 20 BBGD CCn1nc(C)c(CN2CC[C@H](B(O)O)C2)n1 585078677 JNPCIYFHWGMLCW-VIFPVBQESA-N 238.100 -0.345 50 20 BBGD CC(C)C(=O)NNC(=O)C(C)(C)NC(=O)O 736347873 ZGQAPUZHJPNSLU-UHFFFAOYSA-N 231.252 -0.164 50 20 BBGD CCC(=O)NNS(=O)(=O)N(C)CC1CC1 737755696 FCBTXVBSFAOCRP-UHFFFAOYSA-N 235.309 -0.396 50 20 BBGD O=C(NNc1ncccn1)[C@H]1C[C@H]1C(=O)O 739548620 PTBNFPLFZFCODB-NTSWFWBYSA-N 222.204 -0.360 50 20 BBGD CC(=O)N[C@@H](C(=O)NNC(=O)N(C)C)C(C)C 746013068 SNJMMAAZKUKAKM-MRVPVSSYSA-N 244.295 -0.551 50 20 BBGD CN(NC(=O)C1CCN(C2CC2)CC1)C(N)=O 787484252 CPFITEVWNXJIIJ-UHFFFAOYSA-N 240.307 -0.098 50 20 BBGD Cc1cc(C(=O)NN(C)[C@@H](C)CO)ncn1 823947429 XYBIQVPEYDFIJC-QMMMGPOBSA-N 224.264 -0.258 50 20 BBGD COCCN(C)NC(=O)[C@@H]1CC[C@H]1C(N)=O 848057538 WRGYGHJSXZHBHC-HTQZYQBOSA-N 229.280 -0.893 50 20 BBGD CC(C)OCCNCc1ccc(B(O)O)cc1 877336375 QKFULMFGCDOARG-UHFFFAOYSA-N 237.108 -0.119 50 20 BBGD C[C@H](O)CN(C)NC(=O)c1cc(C=O)c[nH]1 910144404 HQIUOCHYSXEQDE-ZETCQYMHSA-N 225.248 -0.215 50 20 BBGD C#CCO[C@@H](C)C(=O)NN(C)C[C@H](C)O 910144558 KPXOPTURADPDLV-IUCAKERBSA-N 214.265 -0.632 50 20 BBGD C[C@@H]1COC[C@H]1NC(=O)c1cccc(B(O)O)c1 928887763 YEVZBIVRJQJZLO-LDYMZIIASA-N 249.075 -0.869 50 20 BBGD C[C@@H](NNC(=O)[C@H]1CCC(=O)N1)C(F)(F)F 1329058550 BIMNAQBQSIFIAZ-RFZPGFLSSA-N 239.197 -0.163 50 20 BBGD Cn1ccc(C(=O)N2CC[C@@H](B(O)O)C2)n1 1330261931 IZMXEXHMIIKYHQ-SSDOTTSWSA-N 223.041 -0.891 50 20 BBGD Cn1cnc2cc(C=NNC(=O)C(N)=O)ccc21 1336105374 PGQXZHPIDFRCAT-UHFFFAOYSA-N 245.242 -0.491 50 20 BBGD CNC(=O)NNC(=O)C1CCC(O)CC1 1339563834 GHZOLISZDWLXOS-UHFFFAOYSA-N 215.253 -0.502 50 20 BBGD Cc1cc(N2CC[C@H](B(O)O)C2)nc(CO)n1 1351728427 GDBHNKIXDPXCGN-QMMMGPOBSA-N 237.068 -0.670 50 20 BBGD CCCNC(=O)NNC(=O)[C@@H]1CCCCN1 1574076737 WJLICHMIIINYIP-QMMMGPOBSA-N 228.296 -0.131 50 20 BBGD CNC(=O)NNC(=O)C1(CC(=O)O)CCC1 1593792917 GMTKOIVIQAPHIZ-UHFFFAOYSA-N 229.236 -0.408 50 20 BBGD CC[C@@H](C)CCNC(=O)NNC(=O)C(=O)O 1594959480 VPPHUKDDBSJOMG-ZCFIWIBFSA-N 231.252 -0.162 50 20 BBGD O=C(NNC(=O)C(=O)O)NOC/C=C/Cl 1601552898 MVWUZGYNISBCPC-OWOJBTEDSA-N 237.599 -0.915 50 20 BBGD CS(=O)(=O)Nc1ccccc1C(=O)NN 116738779 XIRAHCAMJNBLTR-UHFFFAOYSA-N 229.261 -0.338 50 20 BBGD CCOC(=O)/C(C#N)=C\NC[C@H]1COCCO1 127551682 KLQQEQCTXXGRRM-MBACFSSFSA-N 240.259 -0.038 50 20 BBGD Cc1ccc(C(=O)NNC(=O)CO)c(F)c1 182745798 WQGUGJKFOSIVRM-UHFFFAOYSA-N 226.207 -0.113 50 20 BBGD O=C(NNC(=O)[C@H]1CCOC1)c1ccncc1 195330271 CSSWYUPSNDSZIS-VIFPVBQESA-N 235.243 -0.121 50 20 BBGD COC(=O)NNC(=O)CN1CCCCCC1=O 298314515 UDAXPOOPYUKDAI-UHFFFAOYSA-N 243.263 -0.224 50 20 BBGD CN1C(=O)[C@H]2CN(C(=O)CCl)C[C@@H]2C1=O 409425226 FMSPGGCGOBKCAM-WDSKDSINSA-N 230.651 -0.702 50 20 BBGD CCNC(=O)NNC(=O)[C@H](NC(=O)O)C(C)C 737123947 NPAUNIBOGDUXBA-ZCFIWIBFSA-N 246.267 -0.371 50 20 BBGD Cc1ccnc(NNC(=O)C2=NNC(=O)C2)c1 755851118 WGIDRGSKHRQBEN-UHFFFAOYSA-N 233.231 -0.291 50 20 BBGD CC(C)[C@@](C)(O)C(=O)NNC(=O)C(C)(C)O 768259513 GRSFBWXJGUFEIQ-SNVBAGLBSA-N 232.280 -0.688 50 20 BBGD Cn1nnc2cc(C=NNC(=O)CO)ccc21 776783603 QOMHMFBJFRVGQH-UHFFFAOYSA-N 233.231 -0.589 50 20 BBGD O=C(CO)NNC(=O)[C@H](F)C(F)(F)F 810919153 DXNOVRIAEOSLHW-VKHMYHEASA-N 218.106 -0.974 50 20 BBGD CCN(CCO)NC(=O)c1cccn1C 823842338 QWOLPYSCPLXLLR-UHFFFAOYSA-N 211.265 -0.016 50 20 BBGD C[C@H](CO)N(C)NC(=O)[C@H]1CCC(=O)C1 823913148 PBZXEMDLNNENKC-SFYZADRCSA-N 214.265 -0.301 50 20 BBGD CCC[C@H](O)C(=O)NNC(=O)C1CCOCC1 829557422 GOCQGOIKCPINKR-VIFPVBQESA-N 244.291 -0.279 50 20 BBGD O=C(CO)NNC(=O)C1CCC=CCC1 879395588 QABVRMAYKGZAOE-UHFFFAOYSA-N 212.249 -0.128 50 20 BBGD C#CCCCC(=O)NNS(=O)(=O)CCOC 901966578 OIBMFTIYEMODTP-UHFFFAOYSA-N 248.304 -0.613 50 20 BBGD COC(=O)C(=O)NNC(=O)N[C@@H]1CCC[C@@H]1C 1116181958 NETAGDJYGMXEPJ-NKWVEPMBSA-N 243.263 -0.322 50 20 BBGD Cc1nnsc1C(=O)NN(C)C(N)=O 1116747500 AUOPGLWUIGAJPA-UHFFFAOYSA-N 215.238 -0.498 50 20 BBGD NCC(=O)NNC(=O)OCC(F)(F)F 1118979480 UQVKOEOKBXXXLE-UHFFFAOYSA-N 215.131 -0.735 50 20 BBGD CC(C)C(=O)NNC(=O)NCc1cnccn1 1122388460 CLIPOYHFXRZAFG-UHFFFAOYSA-N 237.263 -0.037 50 20 BBGD NNC(=O)c1ccccc1OCC(N)=O 1328493340 RTJYTSFZFLKWJY-UHFFFAOYSA-N 209.205 -0.846 50 20 BBGD CNC(=O)NN=Cc1cccn1CC(=O)O 1598650552 JPXPLPLTLAZYMP-UHFFFAOYSA-N 224.220 -0.164 50 20 BBGD O=C(O)CCC(=O)NNC(=O)c1ccoc1 1606101610 APBVBJLQSNDJLT-UHFFFAOYSA-N 226.188 -0.095 50 20 BBGD NNC(=O)Cn1cnc2sccc2c1=O 36962679 SNCAQSFBHGFYLL-UHFFFAOYSA-N 224.245 -0.552 50 20 BBGD COc1ccnc(NNC(=O)C2CC(=O)C2)n1 136355756 PBOZEZVHKHFCIQ-UHFFFAOYSA-N 236.231 -0.093 50 20 BBGD Cc1ccc(C(=O)NNC(=O)c2nc[nH]n2)o1 746208984 QTWDNMSYKIYLKT-UHFFFAOYSA-N 235.203 -0.219 50 20 BBGD CN1CCCC(=NNC(=O)C(N)=O)CC1 758091089 BGWCNMRCUFKHRO-UHFFFAOYSA-N 212.253 -0.940 50 20 BBGD CC(C)CO[C@@H](C)C(=O)NNC(=O)C(C)(C)O 768261084 LEHRCJIFMVSVOU-QMMMGPOBSA-N 246.307 -0.034 50 20 BBGD CNC(=O)NNC(=O)c1ccc(C#N)c(O)c1 785410081 TWBCMCSNSRGNPR-UHFFFAOYSA-N 234.215 -0.162 50 20 BBGD CC(C)(C)C(=O)NNC(=O)C(=O)NCC1CC1 788500487 KZHVMQLTODXKFE-UHFFFAOYSA-N 241.291 -0.294 50 20 BBGD CCNC(=O)NNS(=O)(=O)C[C@@H](C)OC 800834301 UOCOPVJMCANZJS-ZCFIWIBFSA-N 239.297 -0.825 50 20 BBGD CN(N=Cc1cnc(N(C)C)nc1)C(N)=O 814890980 JMPWROOSGCKXAN-UHFFFAOYSA-N 222.252 -0.113 50 20 BBGD CCn1cc(C(=O)NN(C)[C@H](C)CO)cn1 823959631 MWNJIUBKQADGFW-MRVPVSSYSA-N 226.280 -0.140 50 20 BBGD CNC(=O)NN=C1CCN(OC)CC1 834944598 UFJLZSGTUWCYIA-UHFFFAOYSA-N 200.242 -0.071 50 20 BBGD CCN(CCO)CCNS(=O)(=O)CCl 849387253 QDKLGNZMKZVPDY-UHFFFAOYSA-N 244.744 -0.584 50 20 BBGD CNC(=S)N(C)NC(=O)[C@H]1CC(C)=NO1 854922124 YGSDMNZBKHTJPS-ZCFIWIBFSA-N 230.293 -0.382 50 20 BBGD CCOC(=O)NNC(=O)c1cc(O)ncn1 858113006 XNJMGUIYGKAHOG-UHFFFAOYSA-N 226.192 -0.427 50 20 BBGD COc1cc(C)nc(N2CC[C@H](B(O)O)C2)n1 864233667 KYJPAGCJDSMLBK-QMMMGPOBSA-N 237.068 -0.153 50 20 BBGD C[C@@H](O)CN(C)NC(=O)COC[C@@H]1CCCO1 910167808 MTDZBVLUJSDRPI-ZJUUUORDSA-N 246.307 -0.474 50 20 BBGD CCO/C=C(\C#N)C(=O)NCC(=O)NCC#N 1322594332 AEWIPCQRJWMHMZ-BQYQJAHWSA-N 236.231 -0.814 50 20 BBGD Cn1ccc(NNC(=O)c2ccnn2C)n1 1324864785 RHRGTZMLQQIRSU-UHFFFAOYSA-N 220.236 -0.090 50 20 BBGD C[C@H](C(=O)O)C(=O)NNC(=O)C(C)(C)C 1588574048 UGABJPYSSZOZMQ-YFKPBYRVSA-N 216.237 -0.099 50 20 BBGD CC(C)C(=O)NNC(=O)C(C)(C)C(=O)O 1588799533 OYGBOQHMLNTPQS-UHFFFAOYSA-N 216.237 -0.099 50 20 BBGD O=C(O)C1(C(=O)NNc2cccnn2)CC1 1594868116 YYTFYLRRJDRXDF-UHFFFAOYSA-N 222.204 -0.216 50 20 BBGD CNC(=O)NNC(=O)c1ccc(C(=O)O)o1 1606280326 BTFQUSBUOCAGFE-UHFFFAOYSA-N 227.176 -0.448 50 20 BBGD CNC(=S)NNC(=O)NCCCOC 42900451 DXDXBKWVICAUKI-UHFFFAOYSA-N 220.298 -0.669 50 20 BBGD COC(=O)N1CCC(=NNC(N)=O)CC1 54861111 OMBCCTZHDGCEFW-UHFFFAOYSA-N 214.225 -0.127 50 20 BBGD O=C(CC1CC1)NNC(=O)c1cc[nH]n1 294056362 GCDYYKPNNBGMED-UHFFFAOYSA-N 208.221 -0.029 50 20 BBGD NC(=O)NNC(=S)NCC1CCC1 307570679 DPYKJODOEPNOPO-UHFFFAOYSA-N 202.283 -0.166 50 20 BBGD O=C(CCl)N1C[C@H](O)[C@@H](n2ccnc2)C1 409428633 GUFLHORJLYIUDL-YUMQZZPRSA-N 229.667 -0.134 50 20 BBGD OC[C@@H](CNCc1ccc(B(O)O)cc1)C1CC1 585041668 SCCGPAPPZBWGMQ-GFCCVEGCSA-N 249.119 -0.526 50 20 BBGD O=C(Cc1ccc2c(c1)CCO2)NCB(O)O 585061221 SOOYVCUGLPULBO-UHFFFAOYSA-N 235.048 -0.708 50 20 BBGD COC(=O)c1cc2cccc(B(O)O)c2cn1 725328419 IYZZIELUIPZZOI-UHFFFAOYSA-N 231.016 -0.299 50 20 BBGD C#CCN1CCC[C@H]1C(=O)NNC(=O)C1CC1 730104242 MQJZBGOYJLWVFT-JTQLQIEISA-N 235.287 -0.359 50 20 BBGD O=C(CC1CCC1)NNC(=O)C(=O)NC1CC1 742488071 FVLLMDGOOOXGSV-UHFFFAOYSA-N 239.275 -0.397 50 20 BBGD CC(C)(O)C(=O)NNC(=O)NCc1ccco1 756811675 GNBXSNOFTCFMSQ-UHFFFAOYSA-N 241.247 -0.119 50 20 BBGD Cn1cccc1C(=O)NNC(=O)C1(O)CCC1 771931087 QOWRJSSNWRZBAE-UHFFFAOYSA-N 237.259 -0.299 50 20 BBGD COCCNC(=O)NNC(=O)[C@H]1CCCCO1 772686456 DEHQWMKYOWNELG-MRVPVSSYSA-N 245.279 -0.468 50 20 BBGD COCCCC(=O)NNC(=O)C(C)(C)O 787949765 GYRWIQGBTQMXSQ-UHFFFAOYSA-N 218.253 -0.669 50 20 BBGD C#CCCCS(=O)(=O)NN(C)C(=O)NCC 805064244 GKPWYZYHPBTFNL-UHFFFAOYSA-N 247.320 -0.105 50 20 BBGD CON=CC(=O)NNc1nc2ccccn2n1 809795592 TXMAEUAQUSTEDO-UHFFFAOYSA-N 234.219 -0.195 50 20 BBGD NNC(=O)[C@@H]1COCCN1C1CCCC1 825644704 FOUOZHRCTIKYJT-VIFPVBQESA-N 213.281 -0.380 50 20 BBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)C(F)F 843975700 OJAHZGCBFVWDKM-WHFBIAKZSA-N 222.191 -0.176 50 20 BBGD C#C[C@](C)(CC)NC(=O)c1cccc(B(O)O)c1 863883510 CQOJFNXHVBEGSZ-CYBMUJFWSA-N 245.087 -0.102 50 20 BBGD COC/C=C\C(=O)NNC(=O)C(C)(C)O 867672193 DXAVADJLUYTEBK-PLNGDYQASA-N 216.237 -0.893 50 20 BBGD O=C(NNC(=O)c1cccnn1)C1=CCCCO1 882058700 PHDIRGPJHDMCNY-UHFFFAOYSA-N 248.242 -0.068 50 20 BBGD NNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 917107484 WXAKWPZFHFTIJY-UHFFFAOYSA-N 239.187 -0.031 50 20 BBGD C[C@@H](CO)N(C)NC(=O)CO[C@H]1CCOC1 1119104805 MHLQPGGYPWZTDW-IUCAKERBSA-N 232.280 -0.864 50 20 BBGD O=C(CCn1cccn1)N1CC[C@H](B(O)O)C1 1331828736 ZAKOJELNSKSGKI-VIFPVBQESA-N 237.068 -0.652 50 20 BBGD CC(=O)NNC(=O)c1csc(CO)n1 1335448268 LLSLPCLAHWYTRL-UHFFFAOYSA-N 215.234 -0.584 50 20 BBGD COC(=O)C(=O)NN=Cc1cn(C(C)C)nn1 1346851682 DGOBJUBPIVTLPX-UHFFFAOYSA-N 239.235 -0.518 50 20 BBGD O=C(O)c1cnc(C(=O)NNc2nc[nH]n2)cn1 1602508932 CUOANFJTSCZZFU-UHFFFAOYSA-N 249.190 -0.950 50 20 BBGD NC(=O)C(=O)NNC(=O)Nc1ccccc1 6864353 WHHZDSMGAHLKMD-UHFFFAOYSA-N 222.204 -0.675 50 20 BBGD O=C1CN(S(=O)(=O)CCCCl)CCN1 36881365 PDDPNNOKXKRPNY-UHFFFAOYSA-N 240.712 -0.623 50 20 BBGD CN(C)CC(=O)NNC(=O)[C@H]1CCCOC1 113425949 CZDVMUWXEWAOPO-QMMMGPOBSA-N 229.280 -0.878 50 20 BBGD C[C@@H]1OCC[C@@H]1C(=O)Nc1cccc(B(O)O)c1 405004193 PZBCPLAXLGMSLG-KWQFWETISA-N 249.075 -0.270 50 20 BBGD CCO[C@@H]1C[C@@H]1NC(=O)c1cccc(B(O)O)c1 584981924 JLFXLJBMIINFGJ-WDEREUQCSA-N 249.075 -0.726 50 20 BBGD COCC[C@@H](C)NCc1ccccc1B(O)O 585021086 PBACCTQIHVDMDH-SNVBAGLBSA-N 237.108 -0.119 50 20 BBGD N#CCCCNCc1cccc(B(O)O)c1 585034508 JRLCRVWSVHQFHM-UHFFFAOYSA-N 218.065 -0.240 50 20 BBGD CC[C@H](NCc1ccc(B(O)O)o1)[C@H](C)O 585044714 RBDQHWDTIOVVAK-CBAPKCEASA-N 227.069 -0.792 50 20 BBGD Cc1cc(NNC(=O)[C@@H]2C[C@@H]2C(=O)O)ncn1 738461506 FRMORHUQIAQUHI-RQJHMYQMSA-N 236.231 -0.051 50 20 BBGD C[C@H](NC(=O)O)C(=O)NNC(=O)C1CCC1 738993260 BXCODCUBSXCBOP-YFKPBYRVSA-N 229.236 -0.410 50 20 BBGD CN(C)C(=O)NNC(=O)CNC(=O)C(C)(C)C 746007761 ANDUFXCULNLURY-UHFFFAOYSA-N 244.295 -0.549 50 20 BBGD CNC(=O)NNC(=O)CCCn1cccn1 749172396 AWQBOJCFGBGXTP-UHFFFAOYSA-N 225.252 -0.377 50 20 BBGD COCCOCC(=O)NNc1cnccn1 775277980 UGHRCWGPLOYPHJ-UHFFFAOYSA-N 226.236 -0.417 50 20 BBGD CCNC(=O)NNC(=O)C1(COC)CC1 778651687 YWTHITNHEYQRSG-UHFFFAOYSA-N 215.253 -0.237 50 20 BBGD CNC(=O)NNC(=O)[C@@H]1CO[C@H](C)C1 784143957 GFUOVYIWTXHUPH-RITPCOANSA-N 201.226 -0.628 50 20 BBGD Cn1cnc(C(=O)NNC(=O)c2cccn2C)n1 809972093 QULVKDMYRNBNLH-UHFFFAOYSA-N 248.246 -0.772 50 20 BBGD CN(NC(=O)C1(C(N)=O)CCC1)C1CC1 819647215 KCSYBMDOMRNSSM-UHFFFAOYSA-N 211.265 -0.233 50 20 BBGD CCN(CCO)NC(=O)c1ncccn1 823860670 XVORONVZMGRXFC-UHFFFAOYSA-N 210.237 -0.564 50 20 BBGD COCCN(C)NC(=O)c1cnc(C)nc1N 848378251 NCDXNIUKLVVXRV-UHFFFAOYSA-N 239.279 -0.410 50 20 BBGD CN[C@@H](C)C(=O)NNc1nc(C)cc(OC)n1 848400843 OAEKDFATVISEQB-ZETCQYMHSA-N 239.279 -0.155 50 20 BBGD CC(C)[C@H](NC=O)C(=O)NNc1cnccn1 860937350 ZOXIHRJKIHIQJK-VIFPVBQESA-N 237.263 -0.310 50 20 BBGD CN1CCC[C@H]1C(=O)NNC(=O)c1cn[nH]c1 862471378 BZJLZVYMTALYSQ-QMMMGPOBSA-N 237.263 -0.735 50 20 BBGD CN(NC(=O)[C@@H]1[C@H]2CCC(=O)[C@H]21)C(N)=O 907187192 OBVUGCYAWRJLRH-JSKYLQRQSA-N 211.221 -0.747 50 20 BBGD CC(C)(O)C(=O)NNC(=O)[C@@H]1[C@@H]2CCC(=O)[C@H]21 907627532 RLOOKJOANKLUMJ-MHSYXAOVSA-N 240.259 -0.870 50 20 BBGD C[C@H](O)CN(C)NC(=O)c1cncc(O)c1 910150127 NYOOPRCBKXCYCH-ZETCQYMHSA-N 225.248 -0.255 50 20 BBGD CCO/C=C(/C#N)C(=O)NN(C)C[C@H](C)O 910160810 PJIJXEVVHDMMFP-FZGDARCMSA-N 227.264 -0.226 50 20 BBGD CC(C)=CC(=O)NNC(=O)CN1CCCC1=O 913730545 ZKUHMFIXMJOZPN-UHFFFAOYSA-N 239.275 -0.278 50 20 BBGD CNC(=O)NNC(=O)C1(C(C)C)COC1 930588364 YSVIKVYZMBYKJN-UHFFFAOYSA-N 215.253 -0.381 50 20 BBGD Cn1cc(C(=O)NNC(=O)CCCCO)cn1 1118988968 DWVKJPNPEBIGIG-UHFFFAOYSA-N 240.263 -0.656 50 20 BBGD NCCN(CC(=O)NN)Cc1ccccc1 1329513652 IDCNGQPRRCDMHV-UHFFFAOYSA-N 222.292 -0.563 50 20 BBGD C[C@H](C(=O)NNc1ccncn1)[C@@H]1CCC(=O)N1 1348344185 JOOWZGBSTQMFNX-YUMQZZPRSA-N 249.274 -0.166 50 20 BBGD O=C(CCl)N1CCN2C(=O)NC[C@H]2C1 85807869 IQXGNOSUFVHSLF-LURJTMIESA-N 217.656 -0.539 50 20 BBGD Cc1cc(C(=O)NNC(=O)CN(C)C)[nH]n1 113425322 DQCZTBQZCJVZEO-UHFFFAOYSA-N 225.252 -0.959 50 20 BBGD CCNC(=O)N(C)NC(=O)C1CN(C(C)=O)C1 276414978 BPWDFZBIWSFJOT-UHFFFAOYSA-N 242.279 -0.843 50 20 BBGD Cc1[nH]c(=N)sc1C(=O)NN=C1COC1 378861712 RMZJKSHFCGUOCE-UHFFFAOYSA-N 226.261 -0.020 50 20 BBGD COCC(=O)NN=C(C)c1ccc(=N)[nH]c1 382157498 RQJUUTBEGQREEJ-UHFFFAOYSA-N 222.248 -0.019 50 20 BBGD COC[C@H]1CC[C@H]1NCc1cccc(B(O)O)c1 585043309 MKYRVCFTPCQGNF-DGCLKSJQSA-N 249.119 -0.119 50 20 BBGD C=CCOCC(=O)NNC(=O)c1ccc[nH]1 729303605 RFSPIKAWFCXRPO-UHFFFAOYSA-N 223.232 -0.022 50 20 BBGD CSCC[C@H](O)C(=O)NN(C)C(N)=O 778414822 KYGFIHLYBGNZKE-YFKPBYRVSA-N 221.282 -0.858 50 20 BBGD C[C@@H]1C[C@@H](C(=O)NNC(=O)N(C)C)CO1 784148838 AQGDAELNKFWPJG-RNFRBKRXSA-N 215.253 -0.286 50 20 BBGD CC(=NNC(=O)C(=O)N1CCCC1)c1ncc[nH]1 790164907 FYMILMLBIYARQY-UHFFFAOYSA-N 249.274 -0.128 50 20 BBGD CCN(CCO)NC(=O)c1ccc(C#N)cn1 823860564 VQKJPRPZPAEWNB-UHFFFAOYSA-N 234.259 -0.088 50 20 BBGD CCN(CCO)NC(=O)[C@@H](CC(C)C)C(N)=O 823889296 QAYHWPGPYVHRJZ-VIFPVBQESA-N 245.323 -0.521 50 20 BBGD C[C@@H](CO)N(C)NC(=O)c1n[nH]c2c1CCC2 823971210 QPVJCRXRNGUTSF-ZETCQYMHSA-N 238.291 -0.144 50 20 BBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N1CCC1 827274600 PQJISVVIWCRSFS-YUMQZZPRSA-N 227.264 -0.142 50 20 BBGD C=C[C@@](C)(O)C(=O)NN(C)C(=O)NCC 831858792 VTTIBVMNTGHTBL-SECBINFHSA-N 215.253 -0.384 50 20 BBGD COc1cc(C)nc(NNC(=O)CO)n1 857459574 OHXYSNRXPACUML-UHFFFAOYSA-N 212.209 -0.771 50 20 BBGD COC1CC(C(=O)NNC(=O)c2cc[nH]n2)C1 862168134 NMTXXKQKZXHWAO-UHFFFAOYSA-N 238.247 -0.404 50 20 BBGD CCOC(=O)NNC(=O)[C@@H](C)N(C)C 873741804 GEOYFPSFGUNGLK-ZCFIWIBFSA-N 203.242 -0.286 50 20 BBGD CCNC(=O)N(C)NC(=O)[C@](C)(O)CC 935290492 OXTFSDUHWAIQOE-SECBINFHSA-N 217.269 -0.160 50 20 BBGD N#CCOc1ccc(C=NNC(=O)C(N)=O)cc1 1317746381 KYGGBOISXQZWTQ-UHFFFAOYSA-N 246.226 -0.476 50 20 BBGD COC(=O)C(=O)NN=Cc1ccc(F)nc1 1320753449 XUNAQJWSFATFIR-UHFFFAOYSA-N 225.179 -0.156 50 20 BBGD CN(NC(=O)c1nccnc1C(N)=O)C1CC1 1326170643 SBKKZVCRKLLQAZ-UHFFFAOYSA-N 235.247 -0.686 50 20 BBGD CC1(NC(=O)c2ccc(B(O)O)cc2)CC1 1331964812 FZASCJPNXPEQHS-UHFFFAOYSA-N 219.049 -0.351 50 20 BBGD COC1(C(=O)NN(C)[C@@H](C)CO)CCOCC1 1332365623 HVOIUGDRSNXNMO-VIFPVBQESA-N 246.307 -0.474 50 20 BBGD O=C(C[C@H]1CCC(=O)N1)NNC(=O)C1CCC1 1347454019 CSUSZWSOZCCXRV-MRVPVSSYSA-N 239.275 -0.397 50 20 BBGD O=C(NNC(=O)[C@H]1C[C@@H]1F)C1CCOCC1 1349774899 FEIRSGHDPSPMMM-YUMQZZPRSA-N 230.239 -0.082 50 20 BBGD C[C@H](NC(=O)c1ccc(B(O)O)cc1)C(F)F 1548717379 PGSFVKUGGKZUSO-LURJTMIESA-N 243.018 -0.250 50 20 BBGD CCOC(=O)/C(C#N)=C/NC[C@H]1COCCO1 48629681 KLQQEQCTXXGRRM-ZKXNXJMVSA-N 240.259 -0.038 50 20 BBGD CC(C)=NNC(=O)N[C@@H]1CCS(=O)(=O)C1 63420726 LUCWFKOOVSXKSH-SSDOTTSWSA-N 233.293 -0.132 50 20 BBGD COC(=O)[C@@H]1CN(C(=O)CCl)CCO1 125325286 JZSYGTFTYWESGY-LURJTMIESA-N 221.640 -0.374 50 20 BBGD COC(=O)N(C)NC(=O)CC(C)(C)O 286360390 MZLXSPXTGVUMRP-UHFFFAOYSA-N 204.226 -0.123 50 20 BBGD CCO/C=C(/C#N)C(=O)N1C[C@@H](O)C[C@H]1CO 490913143 YQRFMLCERWREGR-OWSSEVEYSA-N 240.259 -0.616 50 20 BBGD CO[C@H](C(=O)Nc1cccc(B(O)O)c1)C1CC1 584913725 IQGAZCBDSSPMNG-NSHDSACASA-N 249.075 -0.270 50 20 BBGD OB(O)c1ccc(CNC2CCC(O)CC2)o1 585013909 BNUZNCDONGFYGU-UHFFFAOYSA-N 239.080 -0.648 50 20 BBGD O=S(=O)(NCB(O)O)c1ccsc1 585059602 UFZROCTWAPPDKU-UHFFFAOYSA-N 221.068 -0.962 50 20 BBGD O=C(NNC(=O)[C@H]1C[C@H]1C(=O)O)c1cccnc1 739454486 RSCHHLKXCIDUIR-JGVFFNPUSA-N 249.226 -0.437 50 20 BBGD CCC[C@@H](O)CC(=O)NNC(=O)N(C)C 750263938 VTTCBNPXVMOMIC-SSDOTTSWSA-N 217.269 -0.160 50 20 BBGD CC1CCC(OCC(=O)NNC(=O)CO)CC1 795238081 HFKZCJLUJTYPLM-UHFFFAOYSA-N 244.291 -0.279 50 20 BBGD COc1cc(NC(=O)NNC(=O)CO)ccn1 806665719 DLMGFPZFIWFEHQ-UHFFFAOYSA-N 240.219 -0.765 50 20 BBGD O=C(c1ccc(B(O)O)cc1)N1CCC[C@H]2C[C@H]21 863881996 DXRURCQMHREWJP-CMPLNLGQSA-N 245.087 -0.009 50 20 BBGD O=C(CCCF)NNC(=O)CN1CCCC1=O 913734261 MEZHTUNPNLWZRN-UHFFFAOYSA-N 245.254 -0.494 50 20 BBGD O=C(NNC(=O)[C@H]1COCCO1)c1ccc[nH]1 915051997 CPQAYALCQLGHLN-MRVPVSSYSA-N 239.231 -0.809 50 20 BBGD CNC(=O)NNC(=O)CCc1ccncc1 1115994627 ANOSFRLEWVCUEB-UHFFFAOYSA-N 222.248 -0.026 50 20 BBGD O=C(c1cccnc1)N1CC[C@@H](B(O)O)C1 1118973949 DJZANGVLGAPLOT-SECBINFHSA-N 220.037 -0.230 50 20 BBGD CC(C)NC(=O)NNC(=O)c1cn[nH]c1 1318069627 SHJLDDJHDLOMGH-UHFFFAOYSA-N 211.225 -0.238 50 20 BBGD Cc1nccc(C(=O)NNC(=O)N(C)C)n1 1318076247 SHHQPJJQZLXESI-UHFFFAOYSA-N 223.236 -0.299 50 20 BBGD CC(C)NC(=O)C(=O)NN=Cc1cncn1C 1319491894 YQLKGIPZXAAJFX-UHFFFAOYSA-N 237.263 -0.605 50 20 BBGD CC(=O)NNC(=O)CC1OCCCO1 1321014170 KEGFCQBKOXDFPG-UHFFFAOYSA-N 202.210 -0.693 50 20 BBGD CC(C)(O)C(=O)NNC(=O)[C@]1(F)CCOC1 1326074476 JVMCIBGEBBXPTQ-VIFPVBQESA-N 234.227 -0.967 50 20 BBGD COC(=O)N1CCC(C(=O)NNC(C)=O)CC1 1327719809 WTCNFUDGNKSWJL-UHFFFAOYSA-N 243.263 -0.368 50 20 BBGD CCc1cc(C(=O)NN(C)[C@H](C)CO)nn1C 1329861373 HZMXQBRQQXVULR-MRVPVSSYSA-N 240.307 -0.060 50 20 BBGD Cc1onc(CO)c1C(=O)NN(C)C[C@@H](C)O 1339538197 AJHFAKJDZZELIX-ZCFIWIBFSA-N 243.263 -0.567 50 20 BBGD CCO/C=C(\C#N)C(=O)N[C@@](C)(CO)C(=O)O 1596864566 WWZPLWNDAIWAFG-STUBTGCMSA-N 242.231 -0.618 50 20 BBGD CCc1nc(C(=O)NNC(=O)CN(C)C)co1 163102006 RQTGBBJDNJIYHN-UHFFFAOYSA-N 240.263 -0.440 50 20 BBGD CCO/C=C(\C#N)C(=O)N(C)C[C@H](O)CO 273941085 XDWQPIBVJRDOQA-FLOXNTQESA-N 228.248 -0.758 50 20 BBGD C=C(CN(C)C)C(=O)NN(C)C(=O)OC 495693639 QRQXCCAJNDROAQ-UHFFFAOYSA-N 215.253 -0.166 50 20 BBGD CC[C@@H](C)[C@H](CO)NCc1ccc(B(O)O)o1 585025371 RXNKGUZLCZXAKE-SCZZXKLOSA-N 241.096 -0.544 50 20 BBGD O=C(NCB(O)O)c1ccc(F)s1 585062323 GQKSVESPBNXMAO-UHFFFAOYSA-N 203.003 -0.371 50 20 BBGD C[C@H](NC(N)=O)C(=O)NNc1ccnc(F)c1 775893431 PCMDEYFDFLWOQO-YFKPBYRVSA-N 241.226 -0.279 50 20 BBGD Cc1ncccc1C(=O)NNC(=O)CO 777781033 FDSVAPMBKZXOBQ-UHFFFAOYSA-N 209.205 -0.857 50 20 BBGD C[C@H]1C[C@H](C(=O)NN(C)C(N)=O)CO1 784461054 NJNWJIYFWNYLFZ-WDSKDSINSA-N 201.226 -0.547 50 20 BBGD Cn1ncc(C(=O)NNC(=O)c2ccccn2)n1 785668626 KRXQVDKGCWOFJM-UHFFFAOYSA-N 246.230 -0.715 50 20 BBGD C[C@H]1COC(=O)C1=NNC(=O)C(F)F 794929075 OHQZDBWECFIKQX-VKHMYHEASA-N 206.148 -0.083 50 20 BBGD CC(=NNC(=O)C(C)(C)O)c1cnnn1C 814910522 YZFIPZBTCPMRLD-UHFFFAOYSA-N 225.252 -0.574 50 20 BBGD CN(NC(=O)C(C)(C)S(C)(=O)=O)C1CC1 819646588 CGKCSMFXYCOBCP-UHFFFAOYSA-N 234.321 -0.065 50 20 BBGD CC(=O)CCC(=O)NNC(=O)[C@@H]1CCO[C@H]1C 843971941 CSHDWEKGRFUWMT-DTWKUNHWSA-N 242.275 -0.072 50 20 BBGD CC(C)(CO)C(=O)NNC(=O)c1ccncc1 847280772 HHKKXOXGPIRDKT-UHFFFAOYSA-N 237.259 -0.139 50 20 BBGD CC[C@@H](C(=O)NNC(=O)c1cc[nH]n1)[C@@H](C)O 857305548 JGYJQQWIYNYZOP-RNFRBKRXSA-N 240.263 -0.422 50 20 BBGD C[C@H](O)C(=O)NN[C@H](C)C(F)(F)F 862317067 UTRFLGJRCKGQMB-IUYQGCFVSA-N 200.160 -0.061 50 20 BBGD CC[C@@H](NC(C)=O)C(=O)NNC(=O)N(C)C 865047384 LBCUOWKXVDGHEB-SSDOTTSWSA-N 230.268 -0.797 50 20 BBGD COCCN(C)NC(=O)c1cnc2nccn2c1 868242127 ZLZWXRZXGIKQNV-UHFFFAOYSA-N 249.274 -0.048 50 20 BBGD NNC(=O)[C@]1(C2CCCC2)CCNC1=O 876789948 NSMAUOQCUCXSJM-JTQLQIEISA-N 211.265 -0.327 50 20 BBGD CN(C)CC1(C(=O)NNc2nc[nH]n2)CC1 880018132 MSBKBMLHWPMGAG-UHFFFAOYSA-N 224.268 -0.410 50 20 BBGD Cc1ncc(C(=O)NNC(=O)C(C)(C)O)n1C 907626072 KJXGGEZQVISUQS-UHFFFAOYSA-N 240.263 -0.740 50 20 BBGD Cc1coc(C(=O)NNC(=O)CO)c1C 1261087162 JZKNFFMWBSRWBH-UHFFFAOYSA-N 212.205 -0.350 50 20 BBGD CC[C@](C)(N)C(=O)NNC(=O)c1ccncc1 1574073443 FQLRYQAOHOVGFT-NSHDSACASA-N 236.275 -0.030 50 20 BBGD CC(=O)NNC(=O)C1CC2(CNC[C@H]2C#N)C1 1575014635 HKYIWEZUZCOJKG-INWMGODYSA-N 236.275 -0.707 50 20 BBGD C[C@H](C(=O)O)C(=O)NNc1cnccn1 1609701120 PYTOTRZZEGTEQD-YFKPBYRVSA-N 210.193 -0.360 50 20 BBGD COCCC(=O)NNc1ncnc2nc[nH]c12 173953030 CQGZQAKIORKDEL-UHFFFAOYSA-N 236.235 -0.168 50 20 BBGD CC(C)(O)C(=O)NNC(=O)C1(C#N)CCCC1 276330608 YCNNSNUKOPWCRY-UHFFFAOYSA-N 239.275 -0.011 50 20 BBGD CC(=O)NCC(=O)NNC(=O)OC(C)(C)C 298291037 DUCNQAXDCOOTBX-UHFFFAOYSA-N 231.252 -0.322 50 20 BBGD COC(=O)N(C)NC(=O)CCn1ccnn1 496482894 WCKCBYHCKDVJKC-UHFFFAOYSA-N 227.224 -0.602 50 20 BBGD CC(C)CCO[C@H](C)C(=O)NCB(O)O 585063183 ZUILNVWMXRIJBC-MRVPVSSYSA-N 217.074 -0.434 50 20 BBGD CNC(=O)NNC(=O)[C@H](O)c1ccccc1 746159306 HNHSVSLLLLVJKE-MRVPVSSYSA-N 223.232 -0.320 50 20 BBGD COCC(=O)NNC(=O)N=c1cc[nH]cc1C 757807044 DAAAAFWAMRHYAL-UHFFFAOYSA-N 238.247 -0.389 50 20 BBGD CCOCCNC(=S)NNC(=O)COC 761839935 XSIBLKLQQBMZRR-UHFFFAOYSA-N 235.309 -0.835 50 20 BBGD COC(=O)NNC(=O)c1cnc2[nH]cnc2c1 765846695 UPEIIUAOGCINKJ-UHFFFAOYSA-N 235.203 -0.041 50 20 BBGD CC(C)(O)C(=O)NNC(=O)C[C@@H]1CCCO1 768243872 JBOVSPNFBBOYAO-ZETCQYMHSA-N 230.264 -0.526 50 20 BBGD CCNC(=O)NNC(=O)[C@@H]1CC(C)=NO1 823799718 TYRNBCWFFQGWHJ-LURJTMIESA-N 214.225 -0.499 50 20 BBGD CCOC(=O)c1cc(C=NNC(N)=O)[nH]n1 842523295 YOZXIASCVGERCA-UHFFFAOYSA-N 225.208 -0.411 50 20 BBGD C[C@@H](NNC(=O)[C@@]1(O)CCOC1)C(F)(F)F 862323030 OTQVVTGERZROSD-IYSWYEEDSA-N 242.197 -0.291 50 20 BBGD Cc1cccc(NNC(=O)[C@]2(O)CCOC2)n1 862518275 OGQPNBAHJUSJSG-NSHDSACASA-N 237.259 -0.015 50 20 BBGD CC(=O)C[C@@H](C)NC(=O)c1cccc(B(O)O)c1 863876004 LBEIEOVFTGHDEK-MRVPVSSYSA-N 249.075 -0.536 50 20 BBGD CC[C@@]1(C(=O)NN(C)C(=O)OC)CCNC1=O 868241168 PJMSUNGPPHFRNQ-SNVBAGLBSA-N 243.263 -0.368 50 20 BBGD CON(C)CC(=O)NNC(=O)c1ccccc1 917171954 WERUVILXHQOVFO-UHFFFAOYSA-N 237.259 -0.059 50 20 BBGD CC[C@](C)(O)C(=O)NNC(=O)NC1CC1 930720590 QSEBRZVYGKPNBL-VIFPVBQESA-N 215.253 -0.360 50 20 BBGD C[C@@H](O)CN(C)NC(=O)c1cc(O)n(C)n1 1262178109 QKBYPYBVEGSSAS-ZCFIWIBFSA-N 228.252 -0.917 50 20 BBGD Cc1nonc1C(=O)NNC(=O)NC1CC1 1318912732 GFUGRXUSGHHRQK-UHFFFAOYSA-N 225.208 -0.516 50 20 BBGD CN1CCC(NC(=S)NNC(N)=O)CC1 1319968356 LGIVCDLJXIHWJI-UHFFFAOYSA-N 231.325 -0.872 50 20 BBGD COC(=O)C(=O)NN=C(C)c1cnoc1C 1321179395 CGRWEDXHFJKOSG-UHFFFAOYSA-N 225.204 -0.004 50 20 BBGD C=CCNC(=S)NNC(=O)[C@@]1(F)CCOC1 1324024098 NRFADVKFONPUQB-SECBINFHSA-N 247.295 -0.204 50 20 BBGD Cn1nncc1NNC(=O)c1ccccn1 1325023573 TZCZGXXGSPKNLA-UHFFFAOYSA-N 218.220 -0.033 50 20 BBGD CC(=O)NNC(=O)[C@@H](C)[C@H]1CCC(=O)N1 1329711218 VXTUYVLJPSHPRE-CAHLUQPWSA-N 213.237 -0.932 50 20 BBGD COc1cc(C#N)ccc1C(=O)NNC(=O)CN 1579139252 RMQQRXFRLCTDEH-UHFFFAOYSA-N 248.242 -0.713 50 20 BBGD Cc1cc(C(=O)NNC(=O)[C@H](C)C(=O)O)n[nH]1 1594280961 BMFXHHBXVTZCGF-YFKPBYRVSA-N 240.219 -0.800 50 20 BBGD C[C@H](C(=O)O)C(=O)NNC(=O)C1CCOCC1 1602804700 JHKVEKFFQAXQGV-LURJTMIESA-N 244.247 -0.719 50 20 BBGD CC(C)C(=O)NNC(=O)NCC1(C(=O)O)CC1 1609682718 GZBYDQUCZOKYQG-UHFFFAOYSA-N 243.263 -0.162 50 20 BBGD O=C(NNC(=O)c1csnn1)NC1CC1 49150432 PRRWEYQGMPUKQU-UHFFFAOYSA-N 227.249 -0.356 50 20 BBGD CCO[C@H](C)C(=O)NNC(=O)c1cc(C)n[nH]1 151223547 GKQOYWXMLQSFEB-SSDOTTSWSA-N 240.263 -0.096 50 20 BBGD C#C[C@@H](C)NC(=O)NNC(=O)Cc1cccnc1 185987277 UURBCJREVSESNY-SECBINFHSA-N 246.270 -0.024 50 20 BBGD O=C(NNc1ncccn1)[C@H]1CCCNC1 195159418 PHHHSQJNYOQCFT-QMMMGPOBSA-N 221.264 -0.081 50 20 BBGD CN(C)CC(=O)NNC(=O)c1cncc(F)c1 268288701 UAHAFTFDNBDSJF-UHFFFAOYSA-N 240.238 -0.457 50 20 BBGD COC(=O)NNC(=O)[C@@H]1CCc2c[nH]nc2C1 495449105 UGXLCHJPEGVGIW-ZCFIWIBFSA-N 238.247 -0.098 50 20 BBGD C[C@H](CC#N)C(=O)Nc1cccc(B(O)O)c1 584910598 CIEVZPHJWYCJQW-MRVPVSSYSA-N 232.048 -0.145 50 20 BBGD O=C(O)CSCC(=O)NNc1cccnn1 740485506 SRXVWSWLIYKVKE-UHFFFAOYSA-N 242.260 -0.263 50 20 BBGD CCC(=O)NNC(=O)[C@H](C)N(C)CC[C@@H](C)O 744406405 JUKKXSQRFDPKDO-BDAKNGLRSA-N 245.323 -0.365 50 20 BBGD CNC(=O)NNC(=O)C1(CCOC)CC1 746138404 NAKGUGVZSDEJLK-UHFFFAOYSA-N 215.253 -0.237 50 20 BBGD COCCONC(=O)NNC(=O)C1CCC1 789336320 FQUPEBKDHPNUDL-UHFFFAOYSA-N 231.252 -0.305 50 20 BBGD CC#CC(=O)NNC(=O)c1cnn(C)c1 801159811 VUKGNWIZTDMFHW-UHFFFAOYSA-N 206.205 -0.796 50 20 BBGD COCC(=O)NN=C(C)C[C@@H]1CCC(=O)N1 811644889 OQMNUBRSGWKIJY-QMMMGPOBSA-N 227.264 -0.206 50 20 BBGD COC(=O)c1cc(C=NN(C)C(N)=O)on1 814891021 LBDNVMOSQMLEOR-UHFFFAOYSA-N 226.192 -0.194 50 20 BBGD CN(NC(=O)Cn1cc(C2CC2)cn1)C(N)=O 831518750 CBOXXTZBCKXBQX-UHFFFAOYSA-N 237.263 -0.198 50 20 BBGD Cc1ccoc1CC(=O)NNC(=O)CO 857169232 GFYOQEMRTVSKQG-UHFFFAOYSA-N 212.205 -0.730 50 20 BBGD CNNC(=O)Nc1nc2nc(C)cc(C)n2n1 857764342 PQHXZONOKPPHKB-UHFFFAOYSA-N 235.251 -0.003 50 20 BBGD O=C(C#CC1CC1)NNC(=O)c1cn[nH]c1 862469913 VQPCFWCVZBRTRU-UHFFFAOYSA-N 218.216 -0.416 50 20 BBGD CCC1(C(=O)NNC(=O)CS(C)(=O)=O)CC1 863462568 RTGLZRLKFPCROS-UHFFFAOYSA-N 248.304 -0.631 50 20 BBGD O=C(c1cccc(B(O)O)c1)N1C[C@@H]2C[C@H]2C1 863887517 LPALQMVDCUAVRZ-UWVGGRQHSA-N 231.060 -0.542 50 20 BBGD CN(C)C(=O)NNC(=O)C1CSC1 865047525 PZHOXPBAWHXOGU-UHFFFAOYSA-N 203.267 -0.348 50 20 BBGD CCCCNC(=S)NNC(=O)c1ncon1 899575592 ROEOYAZKBNJLEQ-UHFFFAOYSA-N 243.292 -0.021 50 20 BBGD NC(=O)CCCC(=O)NNc1ncc(F)cn1 1116830456 WLBCPEMOWHNEHG-UHFFFAOYSA-N 241.226 -0.286 50 20 BBGD COC(=O)C(=O)NNC(=O)NC1CCCCC1 1252447184 GEAGKVLDBVETFA-UHFFFAOYSA-N 243.263 -0.178 50 20 BBGD CC(=O)N[C@@H](C)C(=O)NNC(=O)C1CC1 1317667040 CXMATMICPULREA-YFKPBYRVSA-N 213.237 -0.932 50 20 BBGD COC(=O)C(=O)NN=C(C)c1ccnc(O)c1 1324899521 ABUUCMIUGFDOHV-UHFFFAOYSA-N 237.215 -0.200 50 20 BBGD Cc1nn(C(C)C)cc1C=NNC(=O)C(N)=O 1327013245 OMVGJUMHEIVAGN-UHFFFAOYSA-N 237.263 -0.292 50 20 BBGD C[C@@H](O)C(=O)NNC(=O)Cc1ccncc1 1338765911 CTGKKSVLQVQINT-SSDOTTSWSA-N 223.232 -0.848 50 20 BBGD O=C(NCCC(F)F)c1ccc(B(O)O)cc1 1348759494 KEBOHLBPSHBTJE-UHFFFAOYSA-N 243.018 -0.249 50 20 BBGD CC(C)(C)C(=O)NNC(=O)C1(CN)CC(O)C1 1575106921 YKYYWTSXRFQIPA-UHFFFAOYSA-N 243.307 -0.720 50 20 BBGD N[C@@H]1C[C@@H]1C(=O)NNc1ncc(F)cn1 1580398817 ZJWSCMTZPXWZCJ-NTSWFWBYSA-N 211.200 -0.594 50 20 BBGD CC/C=C/CNC(=O)NNC(=O)C(=O)O 1605186156 HQDNOYWVXTVDDZ-ONEGZZNKSA-N 215.209 -0.632 50 20 BBGD O=C(O)CC(=O)NNC(=O)[C@@H]1CCCCO1 1608664572 YWGVYGSYHCDBAJ-LURJTMIESA-N 230.220 -0.822 50 20 BBGD COc1nccnc1NNC(=O)c1cn(C)cn1 184366603 ULYNOXDZDRRELT-UHFFFAOYSA-N 248.246 -0.024 50 20 BBGD OB(O)c1ccnc(OC2CCOCC2)c1 200997425 JMSJBOIROKJFHD-UHFFFAOYSA-N 223.037 -0.681 50 20 BBGD CCNC(=O)N(C)NC(=O)Cc1cc(C)[nH]n1 272643557 DXHFMVZRHFKUEV-UHFFFAOYSA-N 239.279 -0.047 50 20 BBGD CCc1ccnc(C(=O)NCB(O)O)c1 585062089 CSNNWNKNLSJTCL-UHFFFAOYSA-N 208.026 -0.614 50 20 BBGD COC(=O)C[C@@H](C)C(=O)NNC(=O)NC(C)C 758461068 NSNCDRDLIILWPB-SSDOTTSWSA-N 245.279 -0.076 50 20 BBGD CC[C@@H](NNC(=O)COC)C(=O)OC 790446435 ZZMCULUZYCFVFW-ZCFIWIBFSA-N 204.226 -0.795 50 20 BBGD C[C@@H](CO)N(C)NC(=O)c1cc(=O)cc[nH]1 823384032 ABJLBBUYHOPLBQ-ZETCQYMHSA-N 225.248 -0.668 50 20 BBGD COCCCOCCC(=O)NN(C)[C@@H](C)CO 823912451 GPMAJRZJUMCOCV-JTQLQIEISA-N 248.323 -0.227 50 20 BBGD O=C(NNc1ncc(F)cn1)[C@@H](O)C1CC1 831352061 TWHVUSWGXPCLGV-ZETCQYMHSA-N 226.211 -0.170 50 20 BBGD C[C@H]1OCC[C@@H]1C(=O)NN=C1COCCOC1 842549164 HQGNHTCVSFPJFG-SCZZXKLOSA-N 242.275 -0.070 50 20 BBGD C=C(CO)C(=O)NNC(=O)[C@H]1CCO[C@@H]1C 843972604 VEKCJKCKVREVKG-SFYZADRCSA-N 228.248 -0.893 50 20 BBGD COCCN(C)NC(=O)C[C@H]1CCC(=O)N1 854413893 UUJKNOOSAQCADA-MRVPVSSYSA-N 229.280 -0.736 50 20 BBGD CCO[C@@H](C(=O)NNC(C)=O)C1CC1 858108819 HQGPEWPHCVKFDH-MRVPVSSYSA-N 200.238 -0.031 50 20 BBGD Cc1cc(=NNC(=O)[C@H](C)CC(N)=O)cc[nH]1 862514244 VLJDANSZYMOOET-SSDOTTSWSA-N 236.275 -0.233 50 20 BBGD C[C@@H](O)CN(C)NC(=O)[C@@](C)(O)C1CCC1 910146956 HOSXRCRXVZGOTC-KCJUWKMLSA-N 230.308 -0.119 50 20 BBGD Cc1nn(C)cc1CC(=O)NN(C)C[C@H](C)O 910150782 WBUBOIMZNXLFCY-QMMMGPOBSA-N 240.307 -0.385 50 20 BBGD C[C@H](O)CN(C)NC(=O)c1ccc(C#N)[nH]1 910159974 DEUCPCPOAMMQQV-ZETCQYMHSA-N 222.248 -0.156 50 20 BBGD COCCCC(=O)NN(C)C[C@@H](C)O 910169982 HVBXHZTWBFZNOX-MRVPVSSYSA-N 204.270 -0.243 50 20 BBGD CC(=O)NNC(=O)[C@H](C)OCC1CC1 920805649 QZGMYVGJIJPXQK-LURJTMIESA-N 200.238 -0.031 50 20 BBGD COC(=O)NNC(=O)c1coc(C(N)=O)c1 1116629784 QLZWDXRWFBNPCU-UHFFFAOYSA-N 227.176 -0.621 50 20 BBGD CS(=O)(=O)C1(C(=O)NNC(=O)C2CC2)CC1 1116892822 BKJFBGACAKQATM-UHFFFAOYSA-N 246.288 -0.879 50 20 BBGD O=C(c1cscn1)N1CC[C@H](B(O)O)C1 1118916831 XDEMTNOFXNVRPA-LURJTMIESA-N 226.066 -0.168 50 20 BBGD Cc1nnc(NNC(=O)c2ccc[nH]2)nc1O 1248515134 WZEJLAHLVKOXAR-UHFFFAOYSA-N 234.219 -0.029 50 20 BBGD CNC(=O)NNC(=O)CCn1ccnc1 1318169683 HCJWKHSOVNEHEI-UHFFFAOYSA-N 211.225 -0.767 50 20 BBGD Cn1cc(C=NNC(=O)Cc2ccncc2)nn1 1319490111 NWBAFPYCWNBLMC-UHFFFAOYSA-N 244.258 -0.097 50 20 BBGD Cn1ncc2c(N3CC[C@H](B(O)O)C3)ncnc21 1329294005 VGSRKSJJYBAKQK-ZETCQYMHSA-N 247.067 -0.584 50 20 BBGD CCn1ncnc1C=NNC(=O)Cc1cc[nH]n1 1332928590 KUUCBKFNZSDGPG-UHFFFAOYSA-N 247.262 -0.286 50 20 BBGD CCO[C@@H](C)C(=O)N1CC[C@H](B(O)O)C1 1348490590 TYHAOFIQTKSNGL-YUMQZZPRSA-N 215.058 -0.513 50 20 BBGD C[C@@H](O)CN(C)NC(=O)CCc1nccn1C 1348728192 SMXRCJRQSGZENR-SECBINFHSA-N 240.307 -0.304 50 20 BBGD CN(NC(=O)C[C@@H](O)CN)c1ccccn1 1578506011 CYOGOOAZKUISBO-MRVPVSSYSA-N 224.264 -0.741 50 20 BBGD N[C@H](CC(F)F)C(=O)NNc1nc[nH]n1 1580121599 CNEUAGPIMVLOML-GSVOUGTGSA-N 220.183 -0.770 50 20 BBGD C[C@H](CO)N(C)NC(=O)[C@@]1(C(=O)O)CC1(C)C 1589072773 CWRFJXGTTGAZBY-RDDDGLTNSA-N 244.291 -0.169 50 20 BBGD CCOC(=O)NNC(=O)[C@]1(C(=O)O)C[C@H]1C 1590883810 CJBZTMCEXQFVKZ-ANLVUFKYSA-N 230.220 -0.126 50 20 BBGD COc1cc(C=NNC(=O)C(=O)O)ccc1O 1610293590 HRVWWRCXEWKHTR-UHFFFAOYSA-N 238.199 -0.065 50 20 BBGD CCC[C@H](NNC(=O)COC)C(=O)OCC 126071534 YBGBGIYFTFFARI-QMMMGPOBSA-N 232.280 -0.015 50 20 BBGD C[C@@H]1OCC[C@@H]1NCc1ccc(B(O)O)o1 585031315 CNSGSOQWBWRHPG-CBAPKCEASA-N 225.053 -0.774 50 20 BBGD Cc1ccc(CCC(=O)NCB(O)O)o1 585061508 UHSDRAASACORHK-UHFFFAOYSA-N 211.026 -0.351 50 20 BBGD O=C(NCB(O)O)c1c(F)ccc(F)c1F 585063224 WOGKCSVMHDNFBT-UHFFFAOYSA-N 232.954 -0.154 50 20 BBGD Cn1cc(C(=O)NNC(=O)Cn2cccn2)cn1 735446299 MEKCKKTVNGSPMB-UHFFFAOYSA-N 248.246 -0.922 50 20 BBGD C=C[C@H](O)C(=O)NNC(=O)c1ccccc1 816817137 UGIVASCXQMOXKP-VIFPVBQESA-N 220.228 -0.006 50 20 BBGD O=C(NNC(=O)[C@H]1C[C@@H](O)C1)[C@@H]1CCCCO1 823236881 HUYMTYBAARJDQA-YIZRAAEISA-N 242.275 -0.526 50 20 BBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)[C@@H](C)N(C)C 824017040 YXGHPDHXPAHYOC-HLTSFMKQSA-N 243.307 -0.491 50 20 BBGD CCNCCNC(=O)NNC(=O)CC(C)C 841934627 CXCFQPMFSNRZCJ-UHFFFAOYSA-N 230.312 -0.028 50 20 BBGD C[C@@H]1OCC[C@@H]1C(=O)NN=Cc1cnon1 842550045 UXHKIEKWOBJPEG-XPUUQOCRSA-N 224.220 -0.055 50 20 BBGD COCCN(C)NC(=O)c1ccn(C)n1 848377876 VSZCXBBQASWSNO-UHFFFAOYSA-N 212.253 -0.357 50 20 BBGD CO[C@@H](C)CC(=O)NNC(=O)c1cn[nH]c1 862474088 FSRRSAKVXZCUDD-LURJTMIESA-N 226.236 -0.404 50 20 BBGD COCC(=O)NNC(=O)NCC(F)F 879759049 CIYWKCJHZJYDEZ-UHFFFAOYSA-N 211.168 -0.772 50 20 BBGD O=C1CC[C@@H]2[C@H]1[C@H]2C(=O)NNc1nc[nH]n1 899126857 HDBKMJKFDJTFLV-QXRNQMCJSA-N 221.220 -0.527 50 20 BBGD CC(C)[C@H](O)C(=O)NN(C)C[C@@H](C)O 910154841 FTZLACFJZOITBJ-SFYZADRCSA-N 204.270 -0.653 50 20 BBGD O=C(Cn1cccn1)NNC(=O)NCC1CC1 920859149 UBDPKJROZOBOCP-UHFFFAOYSA-N 237.263 -0.377 50 20 BBGD CC(=O)NNC(=O)C[C@@H]1CCCC(=O)N1 1117664754 ICAVJGNOJNRCAR-ZETCQYMHSA-N 213.237 -0.788 50 20 BBGD CN(NC(=O)c1cc(C=O)c[nH]1)C(N)=O 1117718933 YVDWGNFCDDJTOE-UHFFFAOYSA-N 210.193 -0.518 50 20 BBGD C[C@H]1OCC[C@H]1C(=O)NN=Cc1ncnn1C 1261480073 DVXPTBQZSGAURZ-HTQZYQBOSA-N 237.263 -0.310 50 20 BBGD COC(=O)C(=O)NN=C1C[C@@H](C)N(C2CC2)C1 1319514777 UZEHRGXXDZUEST-SSDOTTSWSA-N 239.275 -0.112 50 20 BBGD CN(C)c1ncc(C=NNC(=O)C(N)=O)s1 1319587276 BKNDAAQIBYUMBP-UHFFFAOYSA-N 241.276 -0.856 50 20 BBGD Cc1noc(C)c1[C@H](C)C(=O)NNC(=O)CO 1319869275 DFHSUTOIZXETRV-YFKPBYRVSA-N 241.247 -0.465 50 20 BBGD O=C(CCO)NN=C1CCC(O)CC1 1321134756 IOVLQXKKVYILOC-UHFFFAOYSA-N 200.238 -0.224 50 20 BBGD CN(NC(=O)c1ccc(O)nn1)C1CC1 1325902853 IMIFNIGAOCVWCS-UHFFFAOYSA-N 208.221 -0.079 50 20 BBGD CCC(=O)NNS(=O)(=O)c1cnc(C)n1C 1329568982 IQLOQHQEQKGHER-UHFFFAOYSA-N 246.292 -0.552 50 20 BBGD N#CC(C#N)=CNC[C@@H]1CC[C@@H](C(N)=O)O1 1332658542 VALOBQKQKOHOGS-IUCAKERBSA-N 220.232 -0.460 50 20 BBGD NNC(=O)[C@@H]1C[C@@]12C(=O)Nc1ccccc12 1340262727 QXSWMFPHCVITCY-CPCISQLKSA-N 217.228 -0.114 50 20 BBGD CSSCCNC(=O)[C@H](N)CO 1574084482 IPBRVUCXAAXJQJ-RXMQYKEDSA-N 210.324 -0.567 50 20 BBGD NNC(=O)c1ccc(CN2C(=O)CCC2=O)cc1 70243122 HZNYTWLRHKRMAS-UHFFFAOYSA-N 247.254 -0.061 50 20 BBGD CN(Cc1nc[nH]n1)S(=O)(=O)CCl 70819217 WVGONNLEFJGIHN-UHFFFAOYSA-N 224.673 -0.237 50 20 BBGD COC(=O)[C@@H](C)NCc1cccc(B(O)O)c1 214176160 LSNMMDJXJGJJNC-MRVPVSSYSA-N 237.064 -0.983 50 20 BBGD CC(C)OCC(=O)NNC(=O)c1cnn(C)c1 265282711 ADVMNVIPWJWHBX-UHFFFAOYSA-N 240.263 -0.394 50 20 BBGD CC[C@@H](CO)C(=O)NNC(=O)C1CCC1 779778899 PIUVGJQFDSPSBU-ZETCQYMHSA-N 214.265 -0.048 50 20 BBGD CC(C)[C@@H](O)C(=O)NNC(=O)NCC1CC1 795586636 FTZGZUMSQUMJCM-MRVPVSSYSA-N 229.280 -0.256 50 20 BBGD NC(=O)NCCC(=O)NNc1cccc(F)n1 804772075 ZSXMNRQZEUWXAA-UHFFFAOYSA-N 241.226 -0.278 50 20 BBGD CO[C@@](C)(C=NNC(=O)C(N)=O)C1CC1 814696497 HUISCQYPEBSBBG-VIFPVBQESA-N 213.237 -0.611 50 20 BBGD CCN(CCO)NC(=O)COc1cc(C)on1 823838422 QGWJMVRTYKEONU-UHFFFAOYSA-N 243.263 -0.293 50 20 BBGD CSC[C@@H](C)C(=O)NNC(=O)c1ncon1 832825982 NTWFGBQNRAXXHN-RXMQYKEDSA-N 244.276 -0.170 50 20 BBGD CCC(COC)=NNC(=O)CS(C)(=O)=O 863189290 HKDKECKJWBPEAN-UHFFFAOYSA-N 236.293 -0.440 50 20 BBGD C/C=C/C(=O)NNC(=O)COCCOC 869914106 UOLBDCGCIITWFS-ONEGZZNKSA-N 216.237 -0.627 50 20 BBGD CCC1(C(=O)NN(C)C[C@@H](C)O)COC1 910165404 IENNLYYIYUYQHE-MRVPVSSYSA-N 216.281 -0.243 50 20 BBGD CC(C)NC(=O)C(=O)NNC(=O)C(C)C 1318232585 VJFRFAAIPYBOBN-UHFFFAOYSA-N 215.253 -0.686 50 20 BBGD COC(=O)C(=O)NN=C1CCO[C@@H](C)C1 1319782986 HMQVMICEZNALLH-LURJTMIESA-N 214.221 -0.170 50 20 BBGD CC(=O)CCC(=O)NNC(=O)N(C)C 1321701486 PPDYRHYYRKMRBN-UHFFFAOYSA-N 201.226 -0.342 50 20 BBGD CN(C)CC(=O)NNC(=O)c1ccnc(O)c1 1324075467 VWQRCWHLCSTDBQ-UHFFFAOYSA-N 238.247 -0.890 50 20 BBGD COCCn1cc(C(=O)NNC(C)=O)c(C)n1 1344041179 IZALYJLKQYQEKD-UHFFFAOYSA-N 240.263 -0.381 50 20 BBGD CC[C@H](C)[C@@H](NNC(=O)C(=O)OC)C(=O)OC 1353980024 BSNQQRZRDJCLPM-NKWVEPMBSA-N 246.263 -0.632 50 20 BBGD CCN[C@@H](C)C(=O)NNC(=O)c1cccnn1 1577810655 NFBUWXWFASIOCL-ZETCQYMHSA-N 237.263 -0.764 50 20 BBGD C[C@H](CC(=O)O)NC(=O)NNc1ccncn1 1589001246 IKDOSQKJKSAPMD-ZCFIWIBFSA-N 239.235 -0.034 50 20 BBGD CO[C@@H](C(=O)O)C(=O)NNC(=O)CC(C)(C)C 1604434739 MFMXVAODBUIVQP-SSDOTTSWSA-N 246.263 -0.330 50 20 BBGD O=C(NCC1CC1)NNC(=O)C1(C(=O)O)CC1 1610692881 XIYSCVWDNCLEHA-UHFFFAOYSA-N 241.247 -0.408 50 20 BBGD CCO[C@@H]1C[C@H]1C(=O)NNC(=O)NC 299094599 BCMOXXVVIFHYQO-PHDIDXHHSA-N 201.226 -0.628 50 20 BBGD C[C@H]1CC(=NNC(=O)CO)CC[C@H]1C(=O)O 382039786 XDPZKADPPZQKCY-POYBYMJQSA-N 228.248 -0.028 50 20 BBGD CC1(C)CN(C(=O)c2ccc(B(O)O)cc2)C1 382725695 QBFZAUMVIGLLEL-UHFFFAOYSA-N 233.076 -0.152 50 20 BBGD COC(=O)N(C)CC(=O)NN(C)C1CC1 496875014 LIOZFXPNMFOPSU-UHFFFAOYSA-N 215.253 -0.190 50 20 BBGD COC(=O)N(C)NS(=O)(=O)c1ccn(C)n1 497241535 WRNGXKCYSJJDFR-UHFFFAOYSA-N 248.264 -0.688 50 20 BBGD OB(O)c1ccc(CNC[C@H]2[C@@H]3COC[C@H]23)cc1 585041351 XQCFYNVMYGUVPB-XYYAHUGASA-N 247.103 -0.652 50 20 BBGD CC[C@@H](C)n1ncc(C(=O)NCB(O)O)c1C 585062435 HSSIOHFSBKWJCB-SSDOTTSWSA-N 239.084 -0.096 50 20 BBGD CC(C)(NC(=O)O)C(=O)NNC(=O)C1CCC1 736337072 MEKXXZXRHYHUOX-UHFFFAOYSA-N 243.263 -0.020 50 20 BBGD COCCOC(=O)/C(C#N)=C/c1cnnn1C 751031686 BGBUVZLPPWJIPW-VMPITWQZSA-N 236.231 -0.088 50 20 BBGD C[C@@H](C(=O)NN(C)[C@@H](C)CO)N(C)C 823912964 MMRAOAALAKFFAN-YUMQZZPRSA-N 203.286 -0.720 50 20 BBGD C[C@H](CO)N(C)NC(=O)[C@H](O)c1cccnc1 823923932 VOGOWLMGQKPPKP-PSASIEDQSA-N 239.275 -0.541 50 20 BBGD C[C@H](CO)N(C)NC(=O)[C@@H]1CCCOC1 823959546 KXADEFMNIISGBB-RKDXNWHRSA-N 216.281 -0.243 50 20 BBGD C[C@H]1OCC[C@@H]1C(=O)NN=Cc1cnnn1C 842556130 RVNGMDQFLUJBBF-APPZFPTMSA-N 237.263 -0.310 50 20 BBGD O=S(=O)(CCl)N[C@@H](CO)C1CC1 849378488 MCYAZKPUCCEPDD-LURJTMIESA-N 213.686 -0.127 50 20 BBGD C[C@@H](N)CNS(=O)(=O)CBr 850586689 COLSASBYQYWNCH-SCSAIBSYSA-N 231.115 -0.395 50 20 BBGD CC(C)(C)OCC(=O)NNC(=O)c1cc[nH]n1 855356259 JVSYDNHIDFTQRD-UHFFFAOYSA-N 240.263 -0.014 50 20 BBGD CCC(=O)CNC(=O)c1cccc(B(O)O)c1 863878012 MOGDVULLHWNIDQ-UHFFFAOYSA-N 235.048 -0.925 50 20 BBGD CNC(=O)NNC(=O)[C@@]1(Cl)C[C@H]2CC[C@H]1O2 906393951 GLOGWJBUHHOWKO-HCVRKRLWSA-N 247.682 -0.125 50 20 BBGD COc1cncc(C(=O)NN(C)C[C@H](C)O)n1 910153041 POGDDEYOGZKQAV-ZETCQYMHSA-N 240.263 -0.557 50 20 BBGD O=C(CCN1CCOCC1)NNC(=O)C1CC1 912852369 SBXQGSZCXKETRC-UHFFFAOYSA-N 241.291 -0.734 50 20 BBGD CCO[C@H]1C[C@@H]1C(=O)NNC(=O)C1CC1 916093406 QGUGCSCQWLAKMT-YUMQZZPRSA-N 212.249 -0.031 50 20 BBGD CN(C)C(=O)NNC(=O)CC1OCCCO1 1116865650 KNBYGRAGKCNJJY-UHFFFAOYSA-N 231.252 -0.558 50 20 BBGD Cn1c(C(=O)NNc2ccncn2)cccc1=O 1118834956 HOAPQVWGBMCFGO-UHFFFAOYSA-N 245.242 -0.068 50 20 BBGD CCc1cc(C(=O)NNC(=O)NC)n(C)n1 1330835406 GSGPOXYIELOSMU-UHFFFAOYSA-N 225.252 -0.444 50 20 BBGD Cc1nn(C)cc1C=NNC(=O)[C@@H]1CCC(=O)N1 1335346846 DRBCGIYITDFLEK-VIFPVBQESA-N 249.274 -0.543 50 20 BBGD C[C@@H](C(=O)O)C(=O)NN(C)[C@H](C)CO 1588574114 XMHUIEDLVOPARM-PHDIDXHHSA-N 204.226 -0.949 50 20 BBGD CCOC(=O)NNC(=O)CN(C)C(=O)OC 61381657 DIUXSUGHKPEYQV-UHFFFAOYSA-N 233.224 -0.538 50 20 BBGD C=C[C@@](C)(CC)C(=O)NNC(=O)CO 135168668 AZNGRCKWXJSRDA-VIFPVBQESA-N 200.238 -0.272 50 20 BBGD O=C(COc1ccc(B(O)O)cc1)NC1CC1 196167894 CWAIHXCDZXNINA-UHFFFAOYSA-N 235.048 -0.976 50 20 BBGD CNc1nnc(CC(=O)NN(C)C(N)=O)s1 309631823 IALMPLIDIIEHBV-UHFFFAOYSA-N 244.280 -0.836 50 20 BBGD CC(C)[C@H](C#N)NC(=O)c1ccc(B(O)O)cc1 584977595 YPLXGEOIUAXSNL-NSHDSACASA-N 246.075 -0.356 50 20 BBGD C[C@H](CCO)CNCc1ccc(B(O)O)cc1 585027700 YAZFVMRMNOFVDU-SNVBAGLBSA-N 237.108 -0.526 50 20 BBGD OB(O)c1ccc(CNC[C@H]2CC[C@H](O)C2)cc1 585037612 DPPSTAOVVQNLPZ-AAEUAGOBSA-N 249.119 -0.383 50 20 BBGD CN(C)C1(CNCc2ccccc2B(O)O)CC1 585046596 UJYWWVZQLXAWPF-UHFFFAOYSA-N 248.135 -0.450 50 20 BBGD Cc1[nH]nc(C(=O)NNC(=O)C(C)C)c1O 749185157 QAKNJBDWKLAKRG-UHFFFAOYSA-N 226.236 -0.159 50 20 BBGD COCc1nc(C(=O)NNC(=O)C(C)C)no1 775373444 JRULILRISRKOAH-UHFFFAOYSA-N 242.235 -0.367 50 20 BBGD O=C(CO)NNC(=O)c1ccc2c(c1)OCO2 777781650 DZEOILQHXFPJRD-UHFFFAOYSA-N 238.199 -0.831 50 20 BBGD COc1ccnc(NNC(=O)c2cnn(C)n2)n1 785835136 PFMUZSYQHAIJEV-UHFFFAOYSA-N 249.234 -0.629 50 20 BBGD Cc1nn(C)cc1C(=O)NNC(=O)C(C)(C)O 787949508 KZDZANXQBKGKEQ-UHFFFAOYSA-N 240.263 -0.740 50 20 BBGD Cc1c(C(=O)NNC(=O)CC2CC2)nnn1C 819109839 LUQYABDUTOZDBM-UHFFFAOYSA-N 237.263 -0.315 50 20 BBGD C[C@H](CO)N(C)NC(=O)/C=C/c1cn(C)cn1 823384301 HVDIVBKCQPMFGC-XNPJLODASA-N 238.291 -0.223 50 20 BBGD CC(C)(C)C(=O)Cn1cc(C(=O)NN)nn1 825652378 RFBJJMWPWVHZKO-UHFFFAOYSA-N 225.252 -0.503 50 20 BBGD Cn1c(C(=O)NNC(=O)C(C)(C)C)cnc1O 864889063 OEPDVRBHOFFBTN-UHFFFAOYSA-N 240.263 -0.067 50 20 BBGD COC/C=C\C(=O)NNC(=O)N(C)C 865047505 OZUBGZFZWRPPIL-PLNGDYQASA-N 201.226 -0.509 50 20 BBGD CCn1cc(C(=O)NN(C)CCOC)nn1 935911121 AZBNDEAXRAGBAJ-UHFFFAOYSA-N 227.268 -0.479 50 20 BBGD C[C@H]1CC(=NNC(=O)CCO)CCN1C 1318993645 SQPJWEWREWHNPR-QMMMGPOBSA-N 213.281 -0.045 50 20 BBGD N#CC1=CCN(C(=O)C2(C(N)=O)CC2)CC1 1321048849 OMYCTBOZEGNINO-UHFFFAOYSA-N 219.244 -0.066 50 20 BBGD CN(C)c1nccc(NNC(=O)c2cnn[nH]2)n1 1323099476 DNRMSWPRAKLYNS-UHFFFAOYSA-N 248.250 -0.582 50 20 BBGD Nc1ncccc1C=NNC(=O)[C@@H]1CCC(=O)N1 1331723023 PLYPOSVWWWAMNR-QMMMGPOBSA-N 247.258 -0.608 50 20 BBGD O=C(C[C@H]1COC(=O)C1)NN=c1cc[nH]cc1 1337467359 OUNUCDHWLAZPOG-MRVPVSSYSA-N 235.243 -0.100 50 20 BBGD CC(C)c1nccnc1NNC(=O)[C@H](N)CO 1573532805 BPGOTGKWYCKRFB-SSDOTTSWSA-N 239.279 -0.637 50 20 BBGD CCOC(=O)NNC(=O)C(C)(C)C(=O)O 1590883987 HKTPVLDKUURUQH-UHFFFAOYSA-N 218.209 -0.126 50 20 BBGD COCC(C)(C)CNC(=O)NNC(=O)C(=O)O 1599145212 JSQZDPJQTLWYSG-UHFFFAOYSA-N 247.251 -0.926 50 20 BBGD COC(=O)NNC(=O)C12CC(C(=O)O)(C1)C2 1606494558 FLRCCDZOZTVFBN-UHFFFAOYSA-N 228.204 -0.372 50 20 BBGD COC(=O)NNC(=O)[C@@H]1CCCOC1 185418735 YUPHSBGDCQIBCM-ZCFIWIBFSA-N 202.210 -0.200 50 20 BBGD NC(=O)C(=O)NN=Cc1ccccc1F 254412359 UQPZQKYFAANSRB-UHFFFAOYSA-N 209.180 -0.239 50 20 BBGD NC(=O)C(=O)NN=Cc1cccc([N+](=O)[O-])c1 254435177 ZDZOLJATJSMKAR-UHFFFAOYSA-N 236.187 -0.470 50 20 BBGD O=C(Cn1cccn1)NNC(=O)[C@@H]1CCCO1 294514312 DSPPVJLRVQIJGN-QMMMGPOBSA-N 238.247 -0.791 50 20 BBGD O=C(NCB(O)O)[C@H]1COc2ccccc2C1 585060787 KAGXYFREDZQSKV-SECBINFHSA-N 235.048 -0.634 50 20 BBGD CC(C)[C@H]1OCC[C@H]1C(=O)NCB(O)O 585062874 OZZFEUWEWODKRK-HTQZYQBOSA-N 215.058 -0.824 50 20 BBGD C#CCCCC(=O)NNC(=O)[C@H]1CCOC1 758076244 PKPPPQSHWGAQRD-VIFPVBQESA-N 224.260 -0.026 50 20 BBGD CC(=O)NNC(=O)c1cc(C)nc(O)c1 777521028 KSKWKHQJHINCIZ-UHFFFAOYSA-N 209.205 -0.123 50 20 BBGD CN1CCN(C(=O)NNC2=N[C@H]3C=C[C@H]2C3)CC1 790178540 AUMKKPGCFWOETD-UWVGGRQHSA-N 249.318 -0.195 50 20 BBGD Cc1nnsc1C=NNC(=O)CN(C)C 814220684 FIQLVQZMGOKWCN-UHFFFAOYSA-N 227.293 -0.142 50 20 BBGD CN(NC(=O)CCN1CCOCC1)C1CC1 819648338 ZQLHNKVOIFESBE-UHFFFAOYSA-N 227.308 -0.166 50 20 BBGD CCOCC(=O)NNC(=O)NC[C@H](C)OC 821464124 CRAOSTZLTKROED-ZETCQYMHSA-N 233.268 -0.612 50 20 BBGD COC(=O)C[C@@H](C)CC(=O)NN(C)[C@@H](C)CO 823924227 YQQOAOKCHDCZLF-IUCAKERBSA-N 246.307 -0.081 50 20 BBGD CC(C)(O)C(=O)NNC(=O)CCCF 832754898 VTAGKDACFFWOHR-UHFFFAOYSA-N 206.217 -0.346 50 20 BBGD O=C1CC[C@@H](C(=O)NN=Cc2ccc[nH]2)N1 863144847 CAQUCZANYXOHQA-QMMMGPOBSA-N 220.232 -0.257 50 20 BBGD CS(=O)(=O)CC(=O)NNC1=N[C@H]2C=C[C@H]1C2 863189312 IBFFENHQDBQAOU-BQBZGAKWSA-N 243.288 -0.991 50 20 BBGD CC[C@@H](NC(C)=O)C(=O)NN=c1cc[nH]cc1 867284042 DBSJFKKOVGLLRO-SNVBAGLBSA-N 236.275 -0.139 50 20 BBGD CCc1ocnc1C(=O)N1CC[C@H](B(O)O)C1 1118975996 SUFDSRAXNAYELR-ZETCQYMHSA-N 238.052 -0.074 50 20 BBGD O=C(NNC(=O)N1CCOCC1)[C@H]1C[C@@H]1F 1123630471 JZGQCVOJSREKPQ-BQBZGAKWSA-N 231.227 -0.583 50 20 BBGD COC(=O)NNC(=O)CO[C@@H]1CCOC1 1320262579 YAWTZONRJJQHDG-ZCFIWIBFSA-N 218.209 -0.821 50 20 BBGD O=C(CCCCO)NNC(=O)N1CCOCC1 1330306361 ZIUBTJXTZUDIEP-UHFFFAOYSA-N 245.279 -0.778 50 20 BBGD O=C(NNC(=O)c1cn[nH]c1)NC(CF)CF 1334933897 JSFXKQRYRVWOBU-UHFFFAOYSA-N 247.205 -0.339 50 20 BBGD C=C(CCN(C)C)C(=O)NNC(=O)CCCN 1574849026 HXSGSJNYCOKCMA-UHFFFAOYSA-N 242.323 -0.619 50 20 BBGD CO[C@@](C)(C(=O)O)C(=O)NNC(=O)C1CC1 1593926590 KRSMWUQLIMRDSJ-SECBINFHSA-N 230.220 -0.967 50 20 BBGD O=C(NNc1ncccn1)N[C@@H]1CCOC1 179158588 ASYXMHMQJBZJCU-SSDOTTSWSA-N 223.236 -0.108 50 20 BBGD CC(C)c1nc(Cl)ncc1B(O)O 238181163 BCUUEHRKVLGZIK-UHFFFAOYSA-N 200.434 -0.067 50 20 BBGD Cn1nccc1C(=O)NNC(=O)CC1CC1 294321616 YGQNZZBRKGDMGY-UHFFFAOYSA-N 222.248 -0.019 50 20 BBGD CC[C@H](O)CC(=O)Nc1cccc(B(O)O)c1 584912986 YNONEHMDFLDPCS-JTQLQIEISA-N 237.064 -0.534 50 20 BBGD CC(=O)NN[C@@H](C(N)=O)c1ccc(F)cc1 727462577 NDAUUWRYKYFZJZ-SECBINFHSA-N 225.223 -0.007 50 20 BBGD CCNC(=O)N(C)NC(=O)N1CCOCC1 767196591 WWHNFJCCXALKSE-UHFFFAOYSA-N 230.268 -0.396 50 20 BBGD CC(=O)CCCC(=O)NN(C)C(N)=O 773558275 IOEWZFUUVHYVMX-UHFFFAOYSA-N 201.226 -0.213 50 20 BBGD Cn1nncc1NC(=O)NN=c1cc[nH]cc1 809900456 OMGMIOSACAVDIY-UHFFFAOYSA-N 233.235 -0.219 50 20 BBGD CCNC(=O)NN=C(C)c1cnnn1C 814817627 PNJKWPOAKBAOLZ-UHFFFAOYSA-N 210.241 -0.142 50 20 BBGD C[C@@H](C(=O)NNC(=O)c1ncccn1)N(C)C 823683282 TXNXIPIXNBJGGE-ZETCQYMHSA-N 237.263 -0.812 50 20 BBGD CC1=NO[C@H](C(=O)NNC(=O)NC2CC2)C1 823767234 CXMVKNBNGCMIQL-ZETCQYMHSA-N 226.236 -0.356 50 20 BBGD C[C@@H](CO)N(C)NC(=O)[C@H]1CCC(=O)C1 823913149 PBZXEMDLNNENKC-YUMQZZPRSA-N 214.265 -0.301 50 20 BBGD C[C@@H](CO)N(C)NC(=O)c1cc2n(n1)CCC2 823918303 UPIPKDTURDKQBM-QMMMGPOBSA-N 238.291 -0.213 50 20 BBGD C=C[C@H](O)C(=O)NNc1nc(C)cc(OC)n1 829488538 UWVQBJNAOIQQBP-ZETCQYMHSA-N 238.247 -0.216 50 20 BBGD CCNC(=O)N(C)NC(=O)C(C)(C)CN 831945989 YYXDKVYLWBZHBH-UHFFFAOYSA-N 216.285 -0.336 50 20 BBGD O=C1NCC[C@@H]1C(=O)NNc1cccc(F)n1 854443107 NQSNROYCUPUQJA-LURJTMIESA-N 238.222 -0.200 50 20 BBGD CNC(=S)N(C)NC(=O)c1c(C)cnn1C 854927743 QPMZPKHXIGLSSY-UHFFFAOYSA-N 241.320 -0.191 50 20 BBGD CC(C)C(=O)NNC(=O)[C@H](C)[C@H]1CCC(=O)N1 858143617 PESNZTLYHWBXQA-HTQZYQBOSA-N 241.291 -0.296 50 20 BBGD CO[C@@H](C=NNC(=O)[C@H]1CCC(=O)N1)C1CC1 863151730 SGJGKOXSKVNLBF-BDAKNGLRSA-N 239.275 -0.208 50 20 BBGD CCC(=O)NNC(=O)[C@H](C)N(C)C[C@H](C)N 863567062 BIGFBCUYHHRPSI-YUMQZZPRSA-N 230.312 -0.789 50 20 BBGD CC[C@@H](O)[C@H](C)C(=O)NNC(=O)NC 900353282 PLBNPKNQSDXOHH-NTSWFWBYSA-N 203.242 -0.646 50 20 BBGD C[C@H](O)CN(C)NC(=O)c1cnc2nccn2c1 910185053 XLAAOZWFYXOMGC-QMMMGPOBSA-N 249.274 -0.313 50 20 BBGD COC(=O)N(C)NC(=O)NCC1(N(C)C)CC1 922983249 ZQEMURISAPNAFC-UHFFFAOYSA-N 244.295 -0.007 50 20 BBGD Cc1n[nH]cc1C=NNC(=O)C(=O)NC1CC1 1248684463 ZHLFZFKAVOPLJB-UHFFFAOYSA-N 235.247 -0.553 50 20 BBGD O=C(NNC(=O)[C@@H]1C[C@@H]1F)c1cccnn1 1263856577 WFPUJMMAGUARDC-RITPCOANSA-N 224.195 -0.404 50 20 BBGD CCO/C=C(/C#N)C(=O)NCC(=O)NCC#N 1322594333 AEWIPCQRJWMHMZ-FPLPWBNLSA-N 236.231 -0.814 50 20 BBGD COC(=O)c1cc(C(=O)NN(C)C(N)=O)on1 1325005546 GWIAIUDHMHJFTM-UHFFFAOYSA-N 242.191 -0.884 50 20 BBGD NNC(=O)NCc1ccc(N2CCNC2=O)cc1 1331431596 MIFYGVMPQKDRJF-UHFFFAOYSA-N 249.274 -0.111 50 20 BBGD CCOC(=O)NNS(=O)(=O)c1cnc[nH]1 1339062627 LFQDYUJPAAXFAQ-UHFFFAOYSA-N 234.237 -0.651 50 20 BBGD CCOC(=O)[C@@H]1CC[C@@H]1C(=O)NNC 1578017698 PIWVBEDYIMHVBV-NKWVEPMBSA-N 200.238 -0.174 50 20 BBGD CN(C)C(=O)CNS(=O)(=O)CCCCl 36881233 NQGFECFZNQSQQD-UHFFFAOYSA-N 242.728 -0.377 50 20 BBGD CN1C[C@H](C(=O)NNC(=O)CC2CC2)CC1=O 294327931 YTUGPEWCTPCOGZ-MRVPVSSYSA-N 239.275 -0.588 50 20 BBGD O=C(c1cccc(B(O)O)c1)N1CC[C@@H](F)C1 584996030 VOVYAPOLZOYKOP-SNVBAGLBSA-N 237.039 -0.450 50 20 BBGD OC[C@H](CC(F)F)NCc1ccc(B(O)O)o1 585037576 CGOIWHLECZYUSU-LURJTMIESA-N 249.022 -0.935 50 20 BBGD CCCS(=O)(=O)N1CC[C@H](B(O)O)C1 585058137 TYTAQJHXSIOCAW-ZETCQYMHSA-N 221.087 -0.725 50 20 BBGD CCNC(=O)NNC(=O)[C@@H]1CCCOC1 727731039 COTPWONDERFCGM-SSDOTTSWSA-N 215.253 -0.237 50 20 BBGD CN(CC(=O)NNc1cccnn1)C(=O)C1CC1 736702379 UALJGVSIOZLYFP-UHFFFAOYSA-N 249.274 -0.212 50 20 BBGD CC(C)(C)C(=O)NNC(=O)C(C)(C)C(N)=O 767621727 BQNJAPSHSUXEAD-UHFFFAOYSA-N 229.280 -0.309 50 20 BBGD CC(C)N(C[C@H](O)CO)S(=O)(=O)CCl 817150394 BCTCDBQYUBYNIA-ZETCQYMHSA-N 245.728 -0.424 50 20 BBGD C[C@@H](CO)N(C)NC(=O)/C=C\c1cn(C)cn1 823384300 HVDIVBKCQPMFGC-WBSSQXGSSA-N 238.291 -0.223 50 20 BBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)N1CC(F)C1 827260928 YAAXHBFBEAXHFU-HTRCEHHLSA-N 245.254 -0.194 50 20 BBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)C1=COCC1 843976209 WEPNCTMEVUCGII-APPZFPTMSA-N 240.259 -0.137 50 20 BBGD COCCN(C)NC(=O)c1ccn(COC)n1 854414412 ZKPDJHWYZUROLA-UHFFFAOYSA-N 242.279 -0.290 50 20 BBGD CCNC(=O)NNC(=O)C1CSC1 865015540 ANKLSHGWNFKTJW-UHFFFAOYSA-N 203.267 -0.300 50 20 BBGD Cc1c(C#N)c(=O)n(C/C=C/C#N)c(=O)n1C 882266583 HRLJIULAZNIPMQ-ONEGZZNKSA-N 230.227 -0.193 50 20 BBGD Cc1cc(C(=O)NN(C)C[C@H](C)O)ncn1 910160018 FEIJLKSKOYRDQC-QMMMGPOBSA-N 224.264 -0.258 50 20 BBGD CO[C@@H]1CCCCC1=NNC(=O)C(N)=O 915934809 HUTRYIJGFMTBNS-SSDOTTSWSA-N 213.237 -0.467 50 20 BBGD COCCNC(=O)NNC(=O)CC(F)(F)F 918054791 UIUXDRBSUOVHFS-UHFFFAOYSA-N 243.185 -0.084 50 20 BBGD CCNC(=O)CCC(=O)NNC(=O)N(C)C 1251762107 XEJXPGRFPGMTQF-UHFFFAOYSA-N 230.268 -0.795 50 20 BBGD Cc1conc1NC(=O)NNC(=O)CO 1320138541 NUCCQKFDDNAXTE-UHFFFAOYSA-N 214.181 -0.872 50 20 BBGD Cc1cc(NC(=O)NNC(=O)CCO)n(C)n1 1320557211 LONAVPWQWVLMSN-UHFFFAOYSA-N 241.251 -0.736 50 20 BBGD COCCN(C)NC(=O)C[C@@H]1CCC(=O)NC1 1327662580 OCSUBYRDNAFGCU-VIFPVBQESA-N 243.307 -0.488 50 20 BBGD COC(=O)N(C)NC(=O)c1csc(CO)n1 1329937885 LJKQQKICXFHFJF-UHFFFAOYSA-N 245.260 -0.022 50 20 BBGD C[C@@H]1C[C@H](C(=O)NNC(=O)CO)CCC1=O 1342320005 KALZUCPPDVGLSQ-RNFRBKRXSA-N 228.248 -0.869 50 20 BBGD N#CC(C#N)=CNCCN1CCNC1=O 1353362430 VWEQWHOGWCZXDC-UHFFFAOYSA-N 205.221 -0.468 50 20 BBGD CC(C)N1CC(=NNC(=O)C(=O)O)[C@@H](C)C1 1604786710 PKNCJCSVHVZJSY-ZETCQYMHSA-N 227.264 -0.097 50 20 BBGD CCNC(=O)NNC(=O)[C@H]1C[C@@H](C(=O)O)C1 1605495386 XSWRDWSJSZDNPE-OLQVQODUSA-N 229.236 -0.553 50 20 BBGD CNC(=O)NNC(=O)C[C@@H]1CCCO1 48950288 GAXVCIJYIGYLPA-LURJTMIESA-N 201.226 -0.484 50 20 BBGD NNC(=O)COc1ccc(C(N)=O)cc1 70153056 RJMWNNKIQRTZFG-UHFFFAOYSA-N 209.205 -0.846 50 20 BBGD NNC(=O)CCCCN1C(=O)C=CC1=O 95093131 HGDLVVAFLRBLKJ-UHFFFAOYSA-N 211.221 -0.928 50 20 BBGD CCn1ncnc1COc1ccc(B(O)O)cc1 203555733 GESQYFMIGHJBAF-UHFFFAOYSA-N 247.063 -0.443 50 20 BBGD CC1(C(=O)NNC(=O)c2ccncc2)COC1 272763988 AVOZNXDVSZXXSX-UHFFFAOYSA-N 235.243 -0.121 50 20 BBGD Cc1cc[nH]c1C(=O)NNC(=O)C(C)(C)O 280820735 NHMIVLJLQHQSKN-UHFFFAOYSA-N 225.248 -0.145 50 20 BBGD CC(C)[C@@H](O)C(=O)NNC(=O)c1cccn1C 285151098 RWCQTEJHUQOAIE-SECBINFHSA-N 239.275 -0.197 50 20 BBGD CC[C@@](C)(O)CNCc1ccc(B(O)O)cc1 585014873 GZMDEPWLQURMEO-GFCCVEGCSA-N 237.108 -0.383 50 20 BBGD Cc1nc(CC(C)C)oc1C(=O)NCB(O)O 585063405 YRXLDAKBXVQYKQ-UHFFFAOYSA-N 240.068 -0.077 50 20 BBGD C[C@H]1C[C@@H]1C(=O)NNC(=O)c1cn[nH]c1 730592404 LTRZQVSDKHTFAZ-FSPLSTOPSA-N 208.221 -0.173 50 20 BBGD Cc1ocnc1C(=O)NNC(=O)CN(C)C 733359452 IRIMAYFBMAZCRZ-UHFFFAOYSA-N 226.236 -0.694 50 20 BBGD CC(C)C(=O)NNC(=O)c1ncccn1 740738639 LXDZZKMHJARQQT-UHFFFAOYSA-N 208.221 -0.106 50 20 BBGD CNC(=O)NCC(=O)NNc1ccc(C#N)cc1 761996677 MYMMNBAFEZIPAX-UHFFFAOYSA-N 247.258 -0.070 50 20 BBGD CNC(=O)NNC(=O)CCOCC(F)F 790489651 GQMPVLSOPMOUMP-UHFFFAOYSA-N 225.195 -0.382 50 20 BBGD COC(=O)N(C)NC(=O)c1ccn(C)n1 804125069 DGWZMDOYOZWCTI-UHFFFAOYSA-N 212.209 -0.237 50 20 BBGD CN(NC(=O)CN1CCCC1=O)C1CC1 819642331 FEVSYSIZNATZNZ-UHFFFAOYSA-N 211.265 -0.266 50 20 BBGD CCc1cc(C(=O)NN(C)C(N)=O)n(C)n1 821459454 NDFZFNGZCXYUJR-UHFFFAOYSA-N 225.252 -0.362 50 20 BBGD CCN(CCO)NC(=O)c1coc(C)n1 823874693 XALKOCDOVCQKPS-UHFFFAOYSA-N 213.237 -0.058 50 20 BBGD COc1ncc(C(=O)NN(C)[C@H](C)CO)cn1 823960119 WDFKSGAXFSHVNM-SSDOTTSWSA-N 240.263 -0.557 50 20 BBGD CN(N=Cc1ccc(-c2nn[nH]n2)o1)C(N)=O 826004273 QJLIQBWTZWQWQJ-UHFFFAOYSA-N 235.207 -0.196 50 20 BBGD CC1=NO[C@@H](C(=O)NN(C)C(N)=O)C1 831524700 KOHRCXRIDQSCJP-RXMQYKEDSA-N 200.198 -0.807 50 20 BBGD COCCC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 843643795 AIXYQSOFPHBBBS-HTQZYQBOSA-N 230.264 -0.405 50 20 BBGD CC[C@@H](C#N)C(=O)NNC(=O)c1cnn(C)c1 845554530 LVKMHFDSACBAMT-ZETCQYMHSA-N 235.247 -0.269 50 20 BBGD CC(C)N(C)CC(=O)NNc1cnnn1C 857271244 GCFWOOBQEXGPBK-UHFFFAOYSA-N 226.284 -0.402 50 20 BBGD CC(=O)NNC(=O)[C@H](NC(C)=O)C(C)C 858109374 VEHRGAYSPVAPRP-MRVPVSSYSA-N 215.253 -0.686 50 20 BBGD CC(=O)NN[C@H](C(N)=O)c1ccc(C#N)cc1 1116078393 HFMQFELQBAVFEC-JTQLQIEISA-N 232.243 -0.275 50 20 BBGD CC(C)NC(=O)NNC(=O)c1cncn1C 1117665793 KPXUCHSGPAHDOP-UHFFFAOYSA-N 225.252 -0.228 50 20 BBGD Cn1ncc2c(O)nc(NNC(=O)C3CC3)nc21 1319493370 FORCEFNDHGCSFJ-UHFFFAOYSA-N 248.246 -0.078 50 20 BBGD CCCn1cc(C(=O)NNC(=O)NC)nn1 1324657611 DANPUJXLPYDOKS-UHFFFAOYSA-N 226.240 -0.738 50 20 BBGD CC(C)(O)C(=O)NNC(=O)CCc1ccon1 1328667118 RRPZLWKULPHRKA-UHFFFAOYSA-N 241.247 -0.475 50 20 BBGD CCN(CCO)NC(=O)C1(N)CCCC1 1574076594 RUHIZRGWQIEOFO-UHFFFAOYSA-N 215.297 -0.397 50 20 BBGD O=C(NNc1ccc(F)cn1)[C@@H]1C[C@@H](O)CN1 1574333367 DFZRLUANIHXSEZ-SFYZADRCSA-N 240.238 -0.613 50 20 BBGD O=C(O)COCC(=O)NN=c1cc[nH]cc1 1608756658 HJQXNOKETLHKML-UHFFFAOYSA-N 225.204 -0.952 50 20 BBGD CCCCNC(=O)NNC(=O)CN(C)C(C)=O 49143663 RSYYAGMMGIGODL-UHFFFAOYSA-N 244.295 -0.405 50 20 BBGD C#CCOCCC(=O)NNC(=O)c1ccncc1 157188274 JZHTZCYYOAIGMD-UHFFFAOYSA-N 247.254 -0.118 50 20 BBGD Nc1cc(C(=O)NNC(=O)CO)cc(Cl)n1 182763634 HYXAVOLHLFUQMQ-UHFFFAOYSA-N 244.638 -0.930 50 20 BBGD CC(C)(O)C(=O)NNC(=O)C1(O)CCCCC1 192924281 JBAIMFQIMMYIJX-UHFFFAOYSA-N 244.291 -0.400 50 20 BBGD COc1ccccc1/C=C/C(=O)NCB(O)O 585057141 NDCHWCQXPOXIIS-VOTSOKGWSA-N 235.048 -0.163 50 20 BBGD Cc1cccc(OCC(=O)NCB(O)O)c1 585057408 UCCWCHWROCMCNE-UHFFFAOYSA-N 223.037 -0.498 50 20 BBGD Cc1cnn(C)c1CN1CC[C@@H](B(O)O)C1 585077494 VCDWVRHWIXWVRW-SECBINFHSA-N 223.085 -0.223 50 20 BBGD OB(O)[C@H]1CCN(C[C@H]2CCCOC2)C1 585077575 VVXKBMLJDFJIBI-ZJUUUORDSA-N 213.086 -0.038 50 20 BBGD CO[C@H](C)C(=O)NNC(=O)c1cnn(C)c1 735445918 IJKDLXNSYRFIDI-ZCFIWIBFSA-N 226.236 -0.784 50 20 BBGD CCN1CCO[C@@H](C(=O)NNC(=O)C(C)C)C1 746095780 BVUFUHXACMNAAW-SECBINFHSA-N 243.307 -0.490 50 20 BBGD O=C(Cn1cnnn1)NNc1ccccn1 777473709 VIZAIEMTZABTGT-UHFFFAOYSA-N 219.208 -0.789 50 20 BBGD O=C(NNC(=O)[C@H]1CC[C@@H](C(=O)O)O1)C1CC1 785402886 ACIBNRZTMKQURX-RQJHMYQMSA-N 242.231 -0.824 50 20 BBGD NC(=O)[C@H]1CC[C@@H]1C(=O)NN=c1cc[nH]cc1 847690705 MWBCQQLXFNHBCE-IUCAKERBSA-N 234.259 -0.542 50 20 BBGD O=C1C[C@@H](C(=O)NNc2ncc(Cl)cn2)N1 857730256 OCDXNCUIHAENBT-YFKPBYRVSA-N 241.638 -0.538 50 20 BBGD CC[C@@H](C)NC(=O)NNC(=O)[C@@H]1CCC(=O)N1 858100107 JXVIWHMFKIDGFT-RQJHMYQMSA-N 242.279 -0.606 50 20 BBGD COC(=O)NNC(=O)c1c2c(nn1C)CCC2 891769689 CPARIYCTDKIUIJ-UHFFFAOYSA-N 238.247 -0.090 50 20 BBGD C=C(C)[C@@H]1OCC[C@@H]1C(=O)NNC(=O)CO 897606974 WTMMXUFRUDJBKH-CBAPKCEASA-N 228.248 -0.893 50 20 BBGD O=C(CN1CCC[C@@H](F)C1)NNC(=O)C1CC1 902996515 TYHAFPCQCCTSRK-SECBINFHSA-N 243.282 -0.022 50 20 BBGD CNC(=S)N(C)NC(=O)[C@@H]1[C@@H]2CCC(=O)[C@H]21 909994058 UAYWISIYSRACQO-MHSYXAOVSA-N 241.316 -0.321 50 20 BBGD CCO/C=C(\C#N)C(=O)NN(C)C[C@H](C)O 910160812 PJIJXEVVHDMMFP-INTFFVIUSA-N 227.264 -0.226 50 20 BBGD CCNC(=O)CCC(=O)NN(C)C[C@@H](C)O 910163394 BRSLUBSAOSPFMA-MRVPVSSYSA-N 231.296 -0.754 50 20 BBGD Cn1nc(C2CC2)cc1CNC(=O)NN 1120568150 ULOQZZCRVVUUHS-UHFFFAOYSA-N 209.253 -0.030 50 20 BBGD COC(=O)C(=O)NN=CC1CCOCC1 1319705308 ISAYAMXDLLAAEK-UHFFFAOYSA-N 214.221 -0.312 50 20 BBGD CC(=O)NNC(=O)[C@H](O)c1ccccn1 1322366670 UZMMFTYXDKJPHU-MRVPVSSYSA-N 209.205 -0.718 50 20 BBGD O=C(C[C@H]1CNCCO1)NNc1ncccn1 1326300103 YBZGBHWCEIEVLY-QMMMGPOBSA-N 237.263 -0.702 50 20 BBGD Cn1ccc(NNC(=O)[C@@H](C(=O)O)C2CC2)n1 1594550836 WEKFAAWFNPOAIA-QMMMGPOBSA-N 238.247 -0.026 50 20 BBGD CC(C)[C@@H](C(=O)O)C(=O)NNC(=O)C1CC1 1602970315 PRFSCSXDNSBAGM-SSDOTTSWSA-N 228.248 -0.099 50 20 BBGD COC(=O)c1cccc(C(=O)NNC(C)=O)n1 48823378 JNEJLTDOKGERPG-UHFFFAOYSA-N 237.215 -0.351 50 20 BBGD CCNC(=O)NNC(=O)C1=COCCO1 49166042 MEPZYZDNHGAYOD-UHFFFAOYSA-N 215.209 -0.775 50 20 BBGD O=C(NCC1CC1)NNC(=O)c1cc[nH]n1 49166491 QEZHJVLNOLPDLY-UHFFFAOYSA-N 223.236 -0.236 50 20 BBGD CC(C)NC(=O)C(=O)NNC(=O)COC(C)C 57304850 KEWUIIZIFXZJTM-UHFFFAOYSA-N 245.279 -0.917 50 20 BBGD CCc1onc(C)c1NC(=O)NNC(=O)CO 183401496 YNJFRVKOJJBMHB-UHFFFAOYSA-N 242.235 -0.310 50 20 BBGD COC(=O)NNC(=O)CCc1cnn(C)c1 495449715 ZMBJBEUHVSYJGY-UHFFFAOYSA-N 226.236 -0.260 50 20 BBGD Cc1ccc(C)c(CC(=O)NCB(O)O)c1 585060216 AUUKWXPMKSERMH-UHFFFAOYSA-N 221.065 -0.026 50 20 BBGD Cc1ccc(C(=O)NCB(O)O)c(F)c1 585060723 ITRQESFYIDEHCH-UHFFFAOYSA-N 211.001 -0.124 50 20 BBGD C#CCOCCC(=O)NNC(=O)C(C)C 755406436 LZTPZASNJFWCHC-UHFFFAOYSA-N 212.249 -0.170 50 20 BBGD CCNC(=O)CCCC(=O)NN(C)C(N)=O 770439635 QUFQLKPPCPIVPT-UHFFFAOYSA-N 230.268 -0.666 50 20 BBGD Cc1n[nH]cc1C(=O)NNC(=O)C1(C)COC1 782662890 KHDXNSVDUDJWRK-UHFFFAOYSA-N 238.247 -0.484 50 20 BBGD CN(C)C(=O)NNC(=O)c1cc([N+](=O)[O-])c[nH]1 804030109 QLUMLUAGUGPRHA-UHFFFAOYSA-N 241.207 -0.161 50 20 BBGD CC(C)(C(N)=O)C(=O)NNc1ncncc1F 817083113 WXYBFGNXMGSSFK-UHFFFAOYSA-N 241.226 -0.430 50 20 BBGD CCN(CCO)NC(=O)c1cccc2ncnn12 823874408 SSBPMIJLITXVSP-UHFFFAOYSA-N 249.274 -0.312 50 20 BBGD COC[C@@H](OC)C(=O)NNc1cnccn1 832395522 MFGLQEMSMPXRMD-SSDOTTSWSA-N 226.236 -0.419 50 20 BBGD CN(NC(=O)[C@@H]1CCCN1C=O)C1CC1 854983532 KNWBPNNHOHLQQY-VIFPVBQESA-N 211.265 -0.267 50 20 BBGD Cn1ccc(C=NNC(=O)[C@@H]2CCC(=O)N2)c1 863148654 HBFDKIQGPDFQKN-VIFPVBQESA-N 234.259 -0.246 50 20 BBGD CN(NC(=O)Nc1cc(=O)n(C)cn1)C1CC1 888499914 UVUARIUCMWSQAT-UHFFFAOYSA-N 237.263 -0.089 50 20 BBGD C[C@@H](C(=O)NN(C)C[C@@H](C)O)N(C)C 910138143 BWRUOLSBBXQWDZ-SFYZADRCSA-N 203.286 -0.720 50 20 BBGD C[C@@H](O)CN(C)NC(=O)c1cnn(CCF)c1 910159063 ZNHQURJROIALAO-MRVPVSSYSA-N 244.270 -0.190 50 20 BBGD CCC(=O)N[C@H](C)C(=O)NN(C)C[C@H](C)O 910170344 KIIJOVNALKGKFO-JGVFFNPUSA-N 231.296 -0.755 50 20 BBGD NC(=O)C(=O)NN=Cc1cc(Cl)ccc1O 916274796 SUWNDWZTQVPAEK-UHFFFAOYSA-N 241.634 -0.019 50 20 BBGD NNC(=O)CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O 916665600 OCVNWZAHIPRIDS-HTQZYQBOSA-N 239.275 -0.458 50 20 BBGD C[C@@H](C(=O)NN(C)C[C@@H](C)O)n1cncn1 1119581857 NQJFDJHSEVWBJT-SFYZADRCSA-N 227.268 -0.817 50 20 BBGD CC(C)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 1317702727 SEUXPLJVLOLSPR-LURJTMIESA-N 213.237 -0.932 50 20 BBGD CC[C@@H](F)C(=O)NNC(=O)c1ncon1 1336095743 PYLNLYWIHUOFMJ-SCSAIBSYSA-N 216.172 -0.421 50 20 BBGD CC(C)[C@H](O)C(=O)NNC(=O)[C@H]1CCCCO1 1347903887 NEVIQBKCIDWNDW-BDAKNGLRSA-N 244.291 -0.280 50 20 BBGD C#C[C@H](C)NC(=O)NNC(=O)Cc1cccnc1 185987259 UURBCJREVSESNY-VIFPVBQESA-N 246.270 -0.024 50 20 BBGD COC(=O)N[C@@H](C)C(=O)NNC(=O)C1CCC1 270707926 WDPIOLZUGUODPI-LURJTMIESA-N 243.263 -0.322 50 20 BBGD COC(=O)NNC(=O)CNC(=O)CCC(C)C 274324037 XYJHGABFRNOUGO-UHFFFAOYSA-N 245.279 -0.074 50 20 BBGD COC(=O)N(C)CC(=O)NNC(=O)CC(C)C 298598988 ZNGJVPJRMKDYAX-UHFFFAOYSA-N 245.279 -0.122 50 20 BBGD CCCN(C)S(=O)(=O)NN(C)C(=O)OC 495842006 SJEXQIDQWAGEFH-UHFFFAOYSA-N 239.297 -0.224 50 20 BBGD CC(C)C[C@H](CO)NCc1ccc(B(O)O)o1 585018908 WKSUKIKDOYYBBQ-SECBINFHSA-N 241.096 -0.544 50 20 BBGD O=C(NNC(=O)c1ccccc1O)c1nc[nH]n1 781418251 VLYRWHPWGMCKDT-UHFFFAOYSA-N 247.214 -0.415 50 20 BBGD CNC(=O)NNC(=O)[C@H](O)C1CCCCC1 783576969 VKZMSVXBTBKBDQ-MRVPVSSYSA-N 229.280 -0.112 50 20 BBGD C=CCNC(=S)NNC(=O)Cc1cc[nH]n1 798304823 LQWUJEROVVZLEC-UHFFFAOYSA-N 239.304 -0.367 50 20 BBGD O=C(CN1CCOC1=O)NNc1ccncn1 823278920 BAPBCWFPXNYNJY-UHFFFAOYSA-N 237.219 -0.628 50 20 BBGD CCN(CCO)NC(=O)c1ccc2nc[nH]c2n1 823869649 NRDAJRXQLBYOAY-UHFFFAOYSA-N 249.274 -0.083 50 20 BBGD CCNC(=O)N(C)NC(=O)CCNC 831944590 CQGMPZJKYDZYGN-UHFFFAOYSA-N 202.258 -0.712 50 20 BBGD O=S(=O)(CCl)N1C[C@H]2C[C@]2(CO)C1 849388290 QDBRORZQKHIQMJ-RNFRBKRXSA-N 225.697 -0.173 50 20 BBGD Cc1cc(=NNC(=O)[C@@]2(O)CCOC2)cc[nH]1 862514945 CEDGTMFLXUYZAJ-LLVKDONJSA-N 237.259 -0.594 50 20 BBGD CCC(=O)NNC(=O)[C@@H](C)N(CC)CCN 863551019 HSCGDTCDVSTYAN-MRVPVSSYSA-N 230.312 -0.787 50 20 BBGD C[C@@H](O)CN(C)NC(=O)c1cc(C#N)c[nH]1 910162695 JEKFYCODDLASHW-SSDOTTSWSA-N 222.248 -0.156 50 20 BBGD CCC(=O)NNC(=O)NCCCOC 920862952 JBGOSJZJOUIPFN-UHFFFAOYSA-N 203.242 -0.237 50 20 BBGD COC(=O)NNS(=O)(=O)c1c[nH]nc1C 1318481842 WKTXTEKGSLEMAC-UHFFFAOYSA-N 234.237 -0.733 50 20 BBGD Cc1n[nH]cc1C(=O)NN=Cc1cn(C)nn1 1319495359 CXRBBFPFKBQGCF-UHFFFAOYSA-N 233.235 -0.389 50 20 BBGD Cc1nn[nH]c1C(=O)NN=c1cc[nH]cc1 1326744597 KEYVTYBEZVESRK-UHFFFAOYSA-N 218.220 -0.313 50 20 BBGD CCn1ncc(Cl)c1C(=O)NNC(=O)CO 1329572830 ROZXMMJWJAYLAX-UHFFFAOYSA-N 246.654 -0.690 50 20 BBGD C[C@@H](O)CN(C)NC(=O)c1cc(N)ccn1 1347685779 VSXWQRSSSGWGBW-SSDOTTSWSA-N 224.264 -0.379 50 20 BBGD Cc1oc(C(=O)N(C)N)cc1S(N)(=O)=O 1574206905 VRPWAQLMTROBNA-UHFFFAOYSA-N 233.249 -0.819 50 20 BBGD O=C(O)[C@@H]1OCC[C@@H]1NS(=O)(=O)CCl 1608815613 MAQHISLTHHMVQQ-CRCLSJGQSA-N 243.668 -0.656 50 20 BBGD COCC(=O)NNC(=O)Cn1nc(C)cc1C 47466080 XKPRXKXJJMMWTM-UHFFFAOYSA-N 240.263 -0.706 50 20 BBGD Cc1ccc(C(=O)NNC(=O)CN(C)C)n1C 113425704 DCTZUIWTBNLKNV-UHFFFAOYSA-N 238.291 -0.344 50 20 BBGD O=C(CO)NNC(=O)c1ccc([N+](=O)[O-])s1 182769154 DVQOPXWNSBLFPH-UHFFFAOYSA-N 245.216 -0.590 50 20 BBGD COC(=O)N(C)NC(=O)CN1CSCC1=O 286416480 QDJNDDQLWXEXQL-UHFFFAOYSA-N 247.276 -0.751 50 20 BBGD COC(=O)[C@H]1CC[C@@H]1C(=O)NN(C)C(=O)OC 286549732 ZDSBHTLELIDILJ-BQBZGAKWSA-N 244.247 -0.085 50 20 BBGD CC(C)N(C)CCNCc1ccc(B(O)O)o1 585020961 NBPTVCATLIMEHZ-UHFFFAOYSA-N 240.112 -0.611 50 20 BBGD Cn1c(O)nc2ccc(C(=O)NCB(O)O)cc21 585061972 AHEFGZMIXZALRO-UHFFFAOYSA-N 249.035 -0.979 50 20 BBGD CCO[C@H](C(=O)NCB(O)O)C(C)C 585062408 IJSRZTPGGBIDCU-ZETCQYMHSA-N 203.047 -0.824 50 20 BBGD C[C@@H]1[C@H](C(=O)N2CC[C@H](B(O)O)C2)CCN1C 585065258 WJMBPAHWZQDERC-KXUCPTDWSA-N 240.112 -0.598 50 20 BBGD Cc1cc(C(=O)NNC(=O)c2cnco2)n[nH]1 760172570 LFPHSQKGOXALEL-UHFFFAOYSA-N 235.203 -0.219 50 20 BBGD CC[C@@H](CO)C(=O)NNC(=O)NC1CC1 779748461 FVSPOVINLYTPMI-LURJTMIESA-N 215.253 -0.502 50 20 BBGD COC(=O)CNC(=O)NN=Cc1cncs1 779822558 FXGSOIBLYADXBJ-UHFFFAOYSA-N 242.260 -0.051 50 20 BBGD C=C[C@H](NNC(=O)c1cnccn1)C(=O)OC 799977097 SCOKERXTCLPCPO-ZETCQYMHSA-N 236.231 -0.561 50 20 BBGD CNC(=O)NNC(=O)[C@](C)(O)C1CCC1 813419909 CSAYXCREOWWYFI-SECBINFHSA-N 215.253 -0.502 50 20 BBGD NC(=O)C(=O)NN=C1CCn2cccc21 818203016 BPTZFSAEFYNSAB-UHFFFAOYSA-N 206.205 -0.803 50 20 BBGD CCN(CCO)NC(=O)CCn1ccnc1 823855985 JPMPMQQJINWMFM-UHFFFAOYSA-N 226.280 -0.381 50 20 BBGD CC(C)(CO)C(=O)NNC(=O)C1CCC1 847482409 VGBWNVHPAVQQSW-UHFFFAOYSA-N 214.265 -0.048 50 20 BBGD CC[C@@H](C(=O)NN(C)C(=S)NC)N(C)C 854923254 OLWBCUMJBDEWKN-ZETCQYMHSA-N 232.353 -0.206 50 20 BBGD CC[C@H](C)NC(=O)NNC(=O)[C@H]1CCC(=O)N1 858100105 JXVIWHMFKIDGFT-NKWVEPMBSA-N 242.279 -0.606 50 20 BBGD CC(=NNC(=O)C(=O)NC1CC1)c1cn(C)cn1 872337414 DOSMXDUWUCWLJJ-UHFFFAOYSA-N 249.274 -0.461 50 20 BBGD C#CCCCC(=O)NNC(=O)CNC(=O)OC 887142076 VAQRADSNFLBEDX-UHFFFAOYSA-N 241.247 -0.707 50 20 BBGD CCN(CCO)NC(=O)Cc1cnc(C)o1 911441496 ZIDHBEWIFNOIDC-UHFFFAOYSA-N 227.264 -0.129 50 20 BBGD CCN1C[C@H](CNC(=O)NN)CC1=O 1118251385 NVYOMPBLIQTSBA-LURJTMIESA-N 200.242 -0.972 50 20 BBGD CN(C)CC[C@H](N)C(=O)NNc1ncccn1 1118338000 VIMSGIILULBQIF-QMMMGPOBSA-N 238.295 -0.801 50 20 BBGD Cn1nncc1NNC(=O)CO[C@H]1CCOC1 1118770964 WHMXOOYIESSCHR-ZETCQYMHSA-N 241.251 -0.936 50 20 BBGD O=C(Cc1nc[nH]n1)NNC(=O)CC1CC1 1119036699 BOUZZHFEBIMLKR-UHFFFAOYSA-N 223.236 -0.705 50 20 BBGD CC(C)NC(=S)NNC(=O)c1cncn1C 1261216448 XSVMTCGVALOXHG-UHFFFAOYSA-N 241.320 -0.063 50 20 BBGD CCOC(=O)NNC(=O)c1c[nH]c(C(N)=O)c1 1317873449 WUGFBMUBLFARMW-UHFFFAOYSA-N 240.219 -0.496 50 20 BBGD O=C(NNC(=O)[C@@H]1C[C@H]1F)C(=O)N1CCCC1 1345832075 GGQOGWUFWXJENN-RNFRBKRXSA-N 243.238 -0.886 50 20 BBGD CCN(CCO)NC(=O)[C@]1(F)CCOC1 1348956950 YSWBXQAFNTYIOB-VIFPVBQESA-N 220.244 -0.540 50 20 BBGD CC(C)C(=O)NNC(=O)C[C@H]1CCC(=O)N1 1350525368 PCCCBTZFBXCHSE-SSDOTTSWSA-N 227.264 -0.542 50 20 BBGD C[C@H](CO)N(C)NC(=O)[C@@H]1CCCCN1 1574067254 MXYHZCJSCHHEKC-BDAKNGLRSA-N 215.297 -0.528 50 20 BBGD CCCNNC(=O)[C@H]1C[C@H]1C(=O)OC 1577574497 CSNMBFZXXKENQM-NKWVEPMBSA-N 200.238 -0.174 50 20 BBGD C[C@@H](C(=O)O)C(=O)NNc1ncc(F)cn1 1588576418 QKROKOGUQXADIH-SCSAIBSYSA-N 228.183 -0.221 50 20 BBGD CN(CCNS(=O)(=O)CCl)CC(=O)O 1598495947 UQPVRLGORSWLOH-UHFFFAOYSA-N 244.700 -0.882 50 20 BBGD O=C(O)C(=O)NN=C1CCCn2nccc21 1601637693 IJESKBDDMNDMRF-UHFFFAOYSA-N 222.204 -0.418 50 20 BBGD CCC(=NNC(=O)NCC(=O)O)c1cn[nH]c1 1604852377 RBBJGKWKPALZOO-UHFFFAOYSA-N 239.235 -0.092 50 20 BBGD CCOC(=O)NNC(=O)[C@H]1CCN(C)C(=O)C1 44338592 KACNRAIVNSWBEE-ZETCQYMHSA-N 243.263 -0.368 50 20 BBGD CCCNC(=O)NNC(=O)C1=COCCO1 49279829 AXHCPRPBPRMDJD-UHFFFAOYSA-N 229.236 -0.385 50 20 BBGD CCNC(=O)N(C)NC(=O)C(C)(C)O 277103324 MMSLPEVFTSVERI-UHFFFAOYSA-N 203.242 -0.550 50 20 BBGD O=S(=O)(CCl)N1CC[C@@H](O)[C@@H](CO)C1 307332246 ACCIYCOEBBFUAZ-RNFRBKRXSA-N 243.712 -0.812 50 20 BBGD COC(=O)NNC(=O)[C@@H](NC(C)=O)C(C)C 490558485 DWMYSNGOLSMPKR-ZETCQYMHSA-N 231.252 -0.466 50 20 BBGD CCOC(=O)NNC(=S)NCCN(C)C 490596269 LTFUROACMQEFTQ-UHFFFAOYSA-N 234.325 -0.327 50 20 BBGD COCCN(C)NC(=O)[C@@H]1NC(=O)O[C@@H]1C 495933884 KKLRIJUILKSFLM-RNFRBKRXSA-N 231.252 -0.907 50 20 BBGD CCNC(=O)N(C)NC(=O)[C@H]1NC(=O)O[C@@H]1C 497017282 FYRKFAVGNPLMED-RITPCOANSA-N 244.251 -0.824 50 20 BBGD CO[C@@H](C)[C@H](C)NCc1ccc(B(O)O)o1 585037403 WIFKFKMSRCARGQ-YUMQZZPRSA-N 227.069 -0.528 50 20 BBGD O=C(COc1ccc(F)cc1)NCB(O)O 585058752 OYNQOPATCOXCAR-UHFFFAOYSA-N 227.000 -0.667 50 20 BBGD CN1CCCC[C@H]1C(=O)N1CC[C@H](B(O)O)C1 585068877 GOTIVBMQGOCESZ-UWVGGRQHSA-N 240.112 -0.454 50 20 BBGD O=C(O)NCC(=O)NNc1ccc(Cl)nn1 738651436 DBBHNYYBDOBARR-UHFFFAOYSA-N 245.626 -0.159 50 20 BBGD O=C(NN=Cc1cc[nH]n1)C(=O)N1CCCC1 755680453 NZEVUTGEKHKZJP-UHFFFAOYSA-N 235.247 -0.518 50 20 BBGD CNC(=O)NNC(=S)NC[C@@H]1CCCCO1 758215471 NNDCDTYGYPUBCS-ZETCQYMHSA-N 246.336 -0.136 50 20 BBGD CCOC(=O)NNC(=O)[C@@H]1CCC(=O)N1C 771607548 BWALBILLJGPDNE-LURJTMIESA-N 229.236 -0.616 50 20 BBGD COCCN(C)NC(=O)Cc1ccn(C)n1 816562378 JEFDVRREWPLZLE-UHFFFAOYSA-N 226.280 -0.428 50 20 BBGD O=C(CN1CCOC1=O)NN=c1cc[nH]cc1 821788100 FWHYFOPZONLFSB-UHFFFAOYSA-N 236.231 -0.601 50 20 BBGD C=C[C@@](C)(O)C(=O)NN(C)CCOC 854409931 OVDJKUJSLXKDTD-SECBINFHSA-N 202.254 -0.467 50 20 BBGD C[C@H]1C[C@H]1C(=O)NNC(=O)c1cc[nH]n1 855361855 KAPNEOMSOQAMIM-NTSWFWBYSA-N 208.221 -0.173 50 20 BBGD CN(NC(=O)[C@@H]1CCCNC1=O)C1CC1 868962339 VROONHWRBGZNDS-MRVPVSSYSA-N 211.265 -0.362 50 20 BBGD C[C@@H](O)CN(C)NC(=O)c1cnsn1 910170399 KCSWTGDKIQJZHW-RXMQYKEDSA-N 216.266 -0.505 50 20 BBGD CC(=O)NNC(=O)c1ccc2c(c1)NC(=O)CO2 917510461 UJSPPRFDKOFWFN-UHFFFAOYSA-N 249.226 -0.202 50 20 BBGD COCCN(C)NC(=O)c1cc(=O)cc[nH]1 935910558 KIUONLJABJLNEI-UHFFFAOYSA-N 225.248 -0.402 50 20 BBGD Cc1noc(CCC(=O)NNC(=O)C2CC2)n1 1115893867 IEUNDQAAYAWFGC-UHFFFAOYSA-N 238.247 -0.132 50 20 BBGD CC(C)C(=O)NNC(=O)C[C@H]1CC(=O)N1 1261661089 FWZDOCNAGATLMN-ZCFIWIBFSA-N 213.237 -0.932 50 20 BBGD N#CC1=CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC1 1331524366 VBERRHQWLUOIMB-VHSXEESVSA-N 249.270 -0.298 50 20 BBGD CCc1cc(C(=O)NN(C)C[C@H](C)O)nn1C 1350778282 KGVDFFFDWROFII-QMMMGPOBSA-N 240.307 -0.060 50 20 BBGD COCCCC=NNC(=O)NCC(=O)O 1599224101 PCIDSTICHDHRRE-UHFFFAOYSA-N 217.225 -0.217 50 20 BBGD O=S(=O)(CCl)NCCN1CCOCC1 82512301 GTQLWGVFQSYXHD-UHFFFAOYSA-N 242.728 -0.566 50 20 BBGD CNCCN(C)S(=O)(=O)CBr 127474846 RDFAIBGWWFMERA-UHFFFAOYSA-N 245.142 -0.180 50 20 BBGD CC[C@@H](O)CC(=O)Nc1cccc(B(O)O)c1 584912987 YNONEHMDFLDPCS-SNVBAGLBSA-N 237.064 -0.534 50 20 BBGD CCO[C@@H]1C[C@H]1NC(=O)c1cccc(B(O)O)c1 584981918 JLFXLJBMIINFGJ-GHMZBOCLSA-N 249.075 -0.726 50 20 BBGD C[C@H](NCc1ccc(B(O)O)cc1)[C@H]1CCOC1 585026196 CYRFSVQBIUCRQW-JQWIXIFHSA-N 249.119 -0.119 50 20 BBGD Cc1ccc([N+](=O)[O-])cc1C(=O)NCB(O)O 585056731 VYNDMRBBNNHXTJ-UHFFFAOYSA-N 238.008 -0.355 50 20 BBGD O=C(NCB(O)O)N1CCc2ccccc21 585059214 DPNYSBCDGATTNC-UHFFFAOYSA-N 220.037 -0.229 50 20 BBGD C=CCOCC(=O)NNC(=O)Cc1cc[nH]n1 755286513 MXSHWJAZMFFPKC-UHFFFAOYSA-N 238.247 -0.698 50 20 BBGD COCCO[C@@H](C)C(=O)NN=Cc1cc[nH]n1 755759887 GXVACDBNSYXRSH-QMMMGPOBSA-N 240.263 -0.089 50 20 BBGD CCc1nn(C)cc1NC(=O)NNC(=O)CO 757895324 HMVVAKADEJTVIG-UHFFFAOYSA-N 241.251 -0.873 50 20 BBGD CN(NC(=O)C1(C)COC(C)(C)OC1)C(N)=O 778415118 PYENHYFFCVGBGT-UHFFFAOYSA-N 245.279 -0.183 50 20 BBGD CNC(=O)C(=O)NN(C)c1ccccc1 789692683 CDFXOOUMCCCRHF-UHFFFAOYSA-N 207.233 -0.100 50 20 BBGD C=C[C@@H](O)C(=O)NNC(=O)C1CCCC1 821754553 IMHOCONPMCNZKN-MRVPVSSYSA-N 212.249 -0.129 50 20 BBGD CCOC(=O)[C@H](CC)C(=O)NN(CC)CCO 823893613 PJQCGAUGTMIROW-SECBINFHSA-N 246.307 -0.079 50 20 BBGD CC(C)C(=O)NNC(=O)c1cccnn1 858143819 XLFGOIOVSLKCRQ-UHFFFAOYSA-N 208.221 -0.106 50 20 BBGD Cc1ccnn1CC(=O)NNC(=O)NC1CC1 858778110 ABXYPJABLCNCST-UHFFFAOYSA-N 237.263 -0.316 50 20 BBGD C[C@@H](C(=O)NNc1ncnc2[nH]cnc12)N(C)C 878901577 QNBQOGPNUUTFHX-LURJTMIESA-N 249.278 -0.254 50 20 BBGD CC(=O)NNS(=O)(=O)c1c(C)cnn1C 1117130684 OQLZAUMVTFKJHH-UHFFFAOYSA-N 232.265 -0.942 50 20 BBGD CC[C@@H](NC(C)=O)C(=O)NNC(C)=O 1118979705 XDEVUTFFVPYMDE-SSDOTTSWSA-N 201.226 -0.932 50 20 BBGD Cn1nc2c(cc1=O)CN(C(=O)CCl)CC2 1253967936 IFXGNBCABXFMCN-UHFFFAOYSA-N 241.678 -0.096 50 20 BBGD O=C(CCO)NN=CC1CCOCC1 1320193411 APMKALNZMYBPBJ-UHFFFAOYSA-N 200.238 -0.103 50 20 BBGD O=C(Cn1cncn1)NNc1cccnn1 1320353692 VTZRDDNVJAHRDS-UHFFFAOYSA-N 219.208 -0.789 50 20 BBGD O=C1NCC[C@@H]1C(=O)NNc1ccncn1 1328403060 STXZMJGTOPIALH-LURJTMIESA-N 221.220 -0.944 50 20 BBGD C=C[C@H](COC)NCc1ccccc1B(O)O 1330224554 LJEBGNLLRLHITI-LLVKDONJSA-N 235.092 -0.343 50 20 BBGD C[C@@H](O)CN(C)NC(=O)C1(C#N)CCOCC1 1332174207 BCFSEHRLONSAOI-SECBINFHSA-N 241.291 -0.349 50 20 BBGD C#CCCCC(=O)NNC(=O)[C@H]1CCNC1=O 1334789916 GYTWBOZHJZQRQA-QMMMGPOBSA-N 237.259 -0.927 50 20 BBGD O=C(O)CCNC(=O)NNc1ccncn1 1611452532 JEAOJKSTMWCLCM-UHFFFAOYSA-N 225.208 -0.423 50 20 BBGD CCOC(=O)NNC(=O)c1nccnc1N 23241793 UJAPLXLHWCURKP-UHFFFAOYSA-N 225.208 -0.550 50 20 BBGD C[C@H](CO)CNCc1cccc(B(O)O)c1 585018834 UOFOVBNAMQZFNI-VIFPVBQESA-N 223.081 -0.916 50 20 BBGD OCC1(CCNCc2cccc(B(O)O)c2)CC1 585044922 XGJUXMIWCCSFTF-UHFFFAOYSA-N 249.119 -0.381 50 20 BBGD CC#CC[C@H](CO)NS(=O)(=O)CCl 717771082 WLYJMBBCIFBEDC-SSDOTTSWSA-N 225.697 -0.124 50 20 BBGD O=C(NCCn1ccnc1)NNc1cccnn1 737026382 DGLFIUYXCPPIDR-UHFFFAOYSA-N 247.262 -0.001 50 20 BBGD O=C(O)NCCCC(=O)NNc1ncccn1 739957584 WYIFYKSSQUQNLP-UHFFFAOYSA-N 239.235 -0.033 50 20 BBGD CCOC(=O)C1(C(=O)NNC(=O)NC)CC1 746159684 MJFVJZMFXHUCGE-UHFFFAOYSA-N 229.236 -0.710 50 20 BBGD Cc1nnccc1C(=O)NNC(=O)C1CC1 752993281 WPVGLNNXIVSTJP-UHFFFAOYSA-N 220.232 -0.044 50 20 BBGD COC[C@@](C)(O)C(=O)NNC(=O)NC(C)C 754988712 PUXPSGNPIHGJRK-SECBINFHSA-N 233.268 -0.877 50 20 BBGD CC(C)n1nccc1NC(=O)NNC(=O)CO 755440490 BQRDNMIUVWBXJY-UHFFFAOYSA-N 241.251 -0.391 50 20 BBGD C#CCCCC(=O)NNC(=O)[C@@H]1COCCO1 757983357 BJFSDFDZNLTIBJ-VIFPVBQESA-N 240.259 -0.647 50 20 BBGD CCCNC(=O)NNC(=O)[C@@H]1CCN(C)C1=O 772451788 ZXNJZLKNAZQWJB-ZETCQYMHSA-N 242.279 -0.795 50 20 BBGD Cn1cc(C(=O)NN=Cc2cnn(C)n2)cn1 814852460 ZTEJYVIRDALZKA-UHFFFAOYSA-N 233.235 -0.688 50 20 BBGD C[C@@H](CO)N(C)NC(=O)[C@@H](O)C1CC1 823922264 JLEUNLXADOKPIQ-XPUUQOCRSA-N 202.254 -0.899 50 20 BBGD COC[C@H](OC)C(=O)NN=c1cc[nH]c(C)c1 862516073 JYQLBQTZLVAPFT-JTQLQIEISA-N 239.275 -0.084 50 20 BBGD Cc1conc1C(=O)NN(C)C[C@@H](C)O 910183271 MMRLWWADHSMUCP-SSDOTTSWSA-N 213.237 -0.060 50 20 BBGD COCCOCCNC(=O)NNC(=O)C(C)C 916628412 NPQSHEOSSOUVHP-UHFFFAOYSA-N 247.295 -0.364 50 20 BBGD CCC(=O)N[C@H](C)C(=O)NNc1ncccn1 920444390 ZXBBJQKIPIVGIS-SSDOTTSWSA-N 237.263 -0.166 50 20 BBGD COCCC(C)=NNC(=O)C(=O)OC 1117704280 SJNPSTAFXPGUNC-UHFFFAOYSA-N 202.210 -0.312 50 20 BBGD CN(NC(=O)c1ccc2nonc2c1)C(N)=O 1261247141 NGLPZEOFJVUUBJ-UHFFFAOYSA-N 235.203 -0.122 50 20 BBGD COC(=O)C(=O)NNC(=O)Nc1cccnc1 1318898605 MXDSONKQTDIVSR-UHFFFAOYSA-N 238.203 -0.593 50 20 BBGD CC(=O)c1cc(C(=O)NN(C)C(N)=O)n(C)c1 1319973739 UYAVCMXQHPXBIU-UHFFFAOYSA-N 238.247 -0.117 50 20 BBGD COCCn1cc(C(=O)NNC(C)=O)cn1 1329681695 KGVYJDQIQZJMLP-UHFFFAOYSA-N 226.236 -0.690 50 20 BBGD N#CCCCC(=O)NNC(=O)[C@@H]1CCC(=O)N1 1330107877 JNOYHDZNYJGIJJ-ZETCQYMHSA-N 238.247 -0.894 50 20 BBGD COC(=O)[C@H]1C[C@@H](C(=O)NNC(=O)C2CC2)C1 1335394522 JMTLBDZRECCFJL-OCAPTIKFSA-N 240.259 -0.257 50 20 BBGD CCO[C@H](C)C(=O)N1CC[C@@H](B(O)O)C1 1348490587 TYHAOFIQTKSNGL-HTQZYQBOSA-N 215.058 -0.513 50 20 BBGD O=C(NNC(=O)C1CCOCC1)c1cocn1 1349785963 IEXLATLFXKEXDF-UHFFFAOYSA-N 239.231 -0.138 50 20 BBGD CN(NC(=O)[C@@]12CCCC[C@@H]1NCC2)C(N)=O 1578505830 ATTNUEZLWPDVIP-GZMMTYOYSA-N 240.307 -0.050 50 20 BBGD COC[C@H](N)C(=O)NNC(=O)C(C)(C)C 1579087042 VCGDDGAFMMBMSV-LURJTMIESA-N 217.269 -0.846 50 20 BBGD C=CC[C@H](NNC(=O)[C@@H]1COCCO1)C(=O)O 1588750765 ZVEWIPVIWIAYOI-YUMQZZPRSA-N 244.247 -0.948 50 20 BBGD COc1cnc2c(B(O)O)cc(C)cc2n1 1857776372 XTGAPFYXJBHXEU-UHFFFAOYSA-N 218.021 -0.373 50 20 BBGD NC(=O)C(=O)NN=Cc1ccccc1[N+](=O)[O-] 254393328 GIMVPEMGQVXSTF-UHFFFAOYSA-N 236.187 -0.470 50 20 BBGD C=CCCn1cc(C(=O)NNC(=O)OC)nn1 496231167 XBXHHPVJXKQTGA-UHFFFAOYSA-N 239.235 -0.145 50 20 BBGD CCC[C@@H](C#N)NC(=O)c1cccc(B(O)O)c1 584936714 MBJHQMHIYBABRH-NSHDSACASA-N 246.075 -0.212 50 20 BBGD C[C@H](CF)NCc1cccc(B(O)O)c1 585041585 RBDANHFAJOQAGZ-MRVPVSSYSA-N 211.045 -0.186 50 20 BBGD CC[C@H](CNCc1cccc(B(O)O)c1)OC 585042115 ZVOBAQLRFXCYSY-GFCCVEGCSA-N 237.108 -0.119 50 20 BBGD CO[C@@H](CNCc1ccc(B(O)O)o1)C1CC1 585043529 QNVACWFOHSDWHV-JTQLQIEISA-N 239.080 -0.526 50 20 BBGD C[C@@]1(C(=O)N2CC[C@H](B(O)O)C2)CCCOC1 585064563 HTDKDXYPVCWQHW-GXSJLCMTSA-N 241.096 -0.122 50 20 BBGD COCCC(=O)NNC(=O)NCC1CC1 727104200 ZMDYLLJSHBERKW-UHFFFAOYSA-N 215.253 -0.237 50 20 BBGD CC(C)NC(=O)NNC(=O)CCNC(=O)O 736476107 CFWOHGIGYQYTOC-UHFFFAOYSA-N 232.240 -0.617 50 20 BBGD COc1ncnc(N)c1C=NNC(=O)N(C)C 747630042 HVBJXOVTAAPJOF-UHFFFAOYSA-N 238.251 -0.328 50 20 BBGD CCC(=O)NNC(=O)[C@@H](C)N1CC[C@H](OC)C1 752327445 SZGCWRCVHMLPMZ-BDAKNGLRSA-N 243.307 -0.347 50 20 BBGD C=C[C@](C)(O)C(=O)NNC(=O)NCC 823804088 KCRSXWCHGLZXFJ-QMMMGPOBSA-N 201.226 -0.726 50 20 BBGD CCNC(=O)NNC(=O)[C@@H]1CCC(=O)C1 843774927 KMFLTEGNRXAIOB-ZCFIWIBFSA-N 213.237 -0.294 50 20 BBGD CCOCCO[C@@H](C)C(=O)NN(C)C[C@H](C)O 910167511 HABIXTFSLWXWCX-UWVGGRQHSA-N 248.323 -0.228 50 20 BBGD Cc1conc1C(=O)NN(C)C[C@H](C)O 910183273 MMRLWWADHSMUCP-ZETCQYMHSA-N 213.237 -0.060 50 20 BBGD C[C@@H]1COC[C@@H]1NC(=O)c1cccc(B(O)O)c1 928887741 YEVZBIVRJQJZLO-KCJUWKMLSA-N 249.075 -0.869 50 20 BBGD Cc1cc(C)c(C(=O)NNC(=O)CN(C)C)[nH]1 1116274571 FGTWTHLEEIDFGC-UHFFFAOYSA-N 238.291 -0.046 50 20 BBGD CN(C)CCC(=O)NNC=C(C#N)C#N 1321415184 OBBUZZKSUUHXIX-UHFFFAOYSA-N 207.237 -0.510 50 20 BBGD NNC(=O)[C@@H]1CC[C@@H](C(F)(F)F)NC1=O 1326349487 IDXHJGABIZLMFJ-DMTCNVIQSA-N 225.170 -0.567 50 20 BBGD C[C@H](O)CN(C)NC(=O)[C@@H](C)[C@@H]1CCC(=O)N1 1332628780 AHYRPLQGVHNPSO-CIUDSAMLSA-N 243.307 -0.755 50 20 BBGD CCOC(=O)/C(C#N)=C/NNC(=O)CCCO 7698148 FBDCLXPEKQAAJC-BQYQJAHWSA-N 241.247 -0.650 50 20 BBGD Cn1cccc1C(=O)NNC(=O)c1c[nH]nn1 120283830 KZLDBXMFGMQAAP-UHFFFAOYSA-N 234.219 -0.782 50 20 BBGD CC(C)C(=O)NNC(=O)[C@H]1CCCO1 124371049 UYQVELDNWYHTQB-SSDOTTSWSA-N 200.238 -0.031 50 20 BBGD CC#CCNC(=O)NNC(=O)Cc1ccncc1 136042606 CNBFWNCXJSIAPJ-UHFFFAOYSA-N 246.270 -0.022 50 20 BBGD CO[C@@H](C)C(=O)NNc1ncnc2nc[nH]c12 173942421 FIPFUDCTLZGKLQ-YFKPBYRVSA-N 236.235 -0.169 50 20 BBGD NC(=O)NN=Cc1ccc(C(N)=O)cc1 252453378 IIVIUBCPFGDRCI-UHFFFAOYSA-N 206.205 -0.212 50 20 BBGD C[C@@H](C(=O)NN(C)C(N)=O)n1cccn1 271275595 JTGNSLSSBUKNPG-LURJTMIESA-N 211.225 -0.514 50 20 BBGD CCNC(=O)N(C)NC(=O)[C@H]1CC(=O)N(C)C1 272663912 IJBOVCLDYPIYRJ-ZETCQYMHSA-N 242.279 -0.843 50 20 BBGD COC(=O)[C@@H]1CC[C@H]1C(=O)NNC(=O)C1CC1 285301416 YGZDFZUBIPMBOD-HTQZYQBOSA-N 240.259 -0.257 50 20 BBGD O=C(C[C@@H]1CCCO1)Nc1cccc(B(O)O)c1 405036723 SRSPTMCGVYOGJL-NSHDSACASA-N 249.075 -0.126 50 20 BBGD CC(C)(C)OC(=O)NNC(=O)[C@@H]1COCCO1 490787367 OLLXDWZRTWLQQZ-ZETCQYMHSA-N 246.263 -0.042 50 20 BBGD CC[C@@H](CO)NCc1ccc(B(O)O)cc1F 585015376 YBDOPSDAGHZNEI-JTQLQIEISA-N 241.071 -0.634 50 20 BBGD CCO[C@@H](C)CNCc1cccc(B(O)O)c1 585032103 BEHHYNWKAMFDAL-JTQLQIEISA-N 237.108 -0.119 50 20 BBGD C[C@H](NCc1ccc(B(O)O)o1)C1CC1 585043907 VLKNJTOKRJHKHE-ZETCQYMHSA-N 209.054 -0.153 50 20 BBGD CCn1ccc(CNCc2ccc(B(O)O)o2)n1 585046562 SXJTTZKNQQSFQG-UHFFFAOYSA-N 249.079 -0.534 50 20 BBGD O=C(Cc1cccc(F)c1)NCB(O)O 585055768 DZCMBXNKYVYBHH-UHFFFAOYSA-N 211.001 -0.504 50 20 BBGD COc1ccc([C@@H]2C[C@H]2C(=O)NCB(O)O)cc1 585063288 WJDHWCGHBAWWDD-WDEREUQCSA-N 249.075 -0.073 50 20 BBGD CCOc1cc(N2CC[C@@H](B(O)O)C2)ncn1 585073913 QHVKCZSMWBQYCB-MRVPVSSYSA-N 237.068 -0.072 50 20 BBGD O=C(NNC(=O)[C@@]1(O)CCSC1)C1CCC1 765797199 QGVVHZCZDVIMPV-SNVBAGLBSA-N 244.316 -0.198 50 20 BBGD CN1CC[C@@H](C(=O)NN=c2cc[nH]cc2)CC1=O 780761461 WCQNMSJVVDKLHT-SECBINFHSA-N 248.286 -0.185 50 20 BBGD O=C(NNC(=O)[C@@H]1CCOC1)[C@@H]1CCCO1 792625637 YTUQYEFLGLGSDW-SFYZADRCSA-N 228.248 -0.651 50 20 BBGD COC[C@H](C)[C@H](C)C(=O)NN(C)C(N)=O 812542377 ZIHZQLBHXASVEZ-BQBZGAKWSA-N 217.269 -0.053 50 20 BBGD C[C@@H](CC(=O)NN(C)C(N)=O)n1ccnc1 845905595 CXINMKBXHCOYCH-ZETCQYMHSA-N 225.252 -0.124 50 20 BBGD COC(=O)CNC(=O)NN=C[C@H](OC)C1CC1 853331356 PRICBEBCTJOLNV-QMMMGPOBSA-N 243.263 -0.131 50 20 BBGD O=C1CC[C@@H]2[C@@H]1[C@@H]2C(=O)N1CC[C@@H](B(O)O)C1 902552073 SHZFPMHBLDPOSN-GTDKDYCYSA-N 237.064 -0.713 50 20 BBGD CCCOCC(=O)NN(C)C[C@H](C)O 910168755 QORDJZTYZTWIDR-QMMMGPOBSA-N 204.270 -0.243 50 20 BBGD Cc1nccc(C(=O)NN(C)C[C@H](C)O)n1 910171470 XZHZCGMYSFCLLG-ZETCQYMHSA-N 224.264 -0.258 50 20 BBGD CCc1cnc(O)c(C(=O)NNC(=O)NC)c1 1118570170 BPQWKBTYDFQBTD-UHFFFAOYSA-N 238.247 -0.077 50 20 BBGD Cc1n[nH]cc1C(=O)NN=Cc1cnc(N)nc1 1254422412 IKHIBZRFXCHQGF-UHFFFAOYSA-N 245.246 -0.146 50 20 BBGD Cc1nccnc1C(=O)NN(C)C[C@H](C)O 1332148532 MGXRLRYMKWBPIJ-ZETCQYMHSA-N 224.264 -0.258 50 20 BBGD CN(N)CC(=O)NNC(=O)c1cccs1 1573882517 JAYTVXRRCCXPBI-UHFFFAOYSA-N 228.277 -0.685 50 20 BBGD CN(N)C(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1 1573882585 KVWLLCCGHXQQFV-ZJUUUORDSA-N 243.307 -0.802 50 20 BBGD Cc1cccc(NNC(=O)[C@H](N)CO)n1 1574165443 JEKZNKWLTNSBHB-SSDOTTSWSA-N 210.237 -0.847 50 20 BBGD N[C@@H]1C[C@H](C(=O)NNC(=O)C2CC2)[C@H]2C[C@H]21 1580401443 DHHULEHZRXFSKQ-UYXSQOIJSA-N 223.276 -0.473 50 20 BBGD COC(=O)CC[C@@H](NC=C(C#N)C#N)C(=O)O 1606460512 SLXSXZOYNBRWDO-MRVPVSSYSA-N 237.215 -0.087 50 20 BBGD O=C(O)C(=O)NN=C1CCN2CCC[C@@H]12 1608530793 FTWTXKVGVVCWNG-ZETCQYMHSA-N 211.221 -0.589 50 20 BBGD COC(=O)CNS(=O)(=O)CCl 82511979 WOWUSFJFYSQKSZ-UHFFFAOYSA-N 201.631 -0.725 50 20 BBGD CCO/C=C(/C#N)C(=O)N[C@@H](C)C(=O)NC 490781815 FFSKPIPMPRAGKD-VQKCLUMFSA-N 225.248 -0.319 50 20 BBGD OB(O)c1ccccc1CNC[C@H](O)C1CC1 585040587 NUEJGOVMIPJDAP-LBPRGKRZSA-N 235.092 -0.773 50 20 BBGD CC(C)(CCl)CS(=O)(=O)NCB(O)O 585057393 SOAAGXAYYOMRAI-UHFFFAOYSA-N 243.521 -0.817 50 20 BBGD O=C(NCB(O)O)c1ccc2cncn2c1 585062419 HMOLUHZKXMIIGK-UHFFFAOYSA-N 219.009 -0.924 50 20 BBGD O=C(NCB(O)O)[C@@H]1C[C@H]1C1CCCC1 585063046 RTNMYBAMSRTDFQ-DTWKUNHWSA-N 211.070 -0.059 50 20 BBGD COCCC(=O)NNC(=O)N1CCOCC1 727103323 GITUXCZMQYMQSU-UHFFFAOYSA-N 231.252 -0.904 50 20 BBGD Cc1n[nH]cc1C(=O)NNC(=O)c1ccnn1C 732082503 HPSGUHKFBNYLGB-UHFFFAOYSA-N 248.246 -0.474 50 20 BBGD CN1CC[C@@H](C(=O)NNc2cnccn2)C1 734244581 OZODAOBESJYIPO-MRVPVSSYSA-N 221.264 -0.129 50 20 BBGD CC(C)(C)[C@H](O)C(=O)NNC(=O)C1CC1 735834468 AXCHTMIHQSQONP-SSDOTTSWSA-N 214.265 -0.049 50 20 BBGD O=C(O)CC(=O)NNC(=O)Cc1ccccn1 738555431 BQXDWEBZGBWABH-UHFFFAOYSA-N 237.215 -0.754 50 20 BBGD Cc1cc(CC(=O)NNC(=O)C2CC2)n[nH]1 755037555 ACTLZPQYQXOGBE-UHFFFAOYSA-N 222.248 -0.182 50 20 BBGD CC(C)CC(=O)NNC(=O)[C@@H]1CC[C@@H]1C(N)=O 816831539 XODHVBAMDRIDHT-JGVFFNPUSA-N 241.291 -0.309 50 20 BBGD O=C(O)CSCC(=O)NN=c1cc[nH]cc1 821536434 FQUDYTNVLWBIIC-UHFFFAOYSA-N 241.272 -0.236 50 20 BBGD CCc1cc(C(=O)NN(CC)CCO)n[nH]1 823847495 WHHRTKJXKQBKDT-UHFFFAOYSA-N 226.280 -0.069 50 20 BBGD CCCOCC(=O)NN(C)[C@@H](C)CO 823964723 DVHPVKOGDJSZQV-QMMMGPOBSA-N 204.270 -0.243 50 20 BBGD C=C(CBr)CNC(CO)CO 846937034 FCNFHFOCZWQBFT-UHFFFAOYSA-N 224.098 -0.120 50 20 BBGD COCCN(C)NC(=O)Cc1cnn(C)c1C 848378658 YABVFYUHPWBCDL-UHFFFAOYSA-N 240.307 -0.120 50 20 BBGD C=CC(C)(C)CC(=O)NNC(=O)CO 879395743 VTOCXZGVUGJMMT-UHFFFAOYSA-N 200.238 -0.272 50 20 BBGD NNC(=O)c1ccnc(-n2ccnc2)c1 918551153 POGMWBFRNOMIBA-UHFFFAOYSA-N 203.205 -0.129 50 20 BBGD O=C(NC[C@H]1COCO1)NNc1ncccn1 923857923 CNTZPULGHDHSCU-ZETCQYMHSA-N 239.235 -0.524 50 20 BBGD Cn1ccc(NNC(=O)Cn2ccccc2=O)n1 1116838159 XMYHAITZZZGPHF-UHFFFAOYSA-N 247.258 -0.275 50 20 BBGD CN(C)C(=O)NNC(=O)[C@H]1CCC(=O)C1 1118276954 WFDFHLAEOFJSBI-LURJTMIESA-N 213.237 -0.342 50 20 BBGD CNC(=O)NNC(=O)c1cc(C(=O)OC)no1 1254265030 OGAHCUKQSIWYOJ-UHFFFAOYSA-N 242.191 -0.965 50 20 BBGD CN1CCO[C@H](C(=O)NNc2ccn(C)n2)C1 1320948172 BJEHDMUYZHIMME-QMMMGPOBSA-N 239.279 -0.806 50 20 BBGD CCNC(=O)N(C)NC(=O)[C@@]1(F)CCOC1 1324317129 XWDQGMNGPCNKQZ-SECBINFHSA-N 233.243 -0.193 50 20 BBGD Cc1noc(CCC(=O)NN(C)[C@H](C)CO)n1 1352229157 HXIVZQIMLKDIDW-SSDOTTSWSA-N 242.279 -0.346 50 20 BBGD O=C(O)COCC(=O)NNc1cccnn1 1595106968 FRTFVVCAVYSYDO-UHFFFAOYSA-N 226.192 -0.979 50 20 BBGD COC(=O)C(=O)NN=C1CCC(C(=O)O)CC1 1610964620 AOMLZVJEIFXGHX-UHFFFAOYSA-N 242.231 -0.094 50 20 BBGD O=C(CO)NNC(=O)Nc1ccncc1F 184212966 YYYXFAYCGPQCLC-UHFFFAOYSA-N 228.183 -0.634 50 20 BBGD COC[C@H](C)NC(=S)NNC(C)=O 308265243 OYGPHMNWWYPIKL-YFKPBYRVSA-N 205.283 -0.464 50 20 BBGD O=C(NCB(O)O)c1cc(-c2ccoc2)[nH]n1 585061645 BXBKMUBXEAURFD-UHFFFAOYSA-N 235.008 -0.589 50 20 BBGD CC(=O)NCC(=O)NNC(=O)CC(C)C 726714410 RJPBXLJDIDRTES-UHFFFAOYSA-N 215.253 -0.684 50 20 BBGD C[S@@](=O)CCNC(=O)NNC(=O)C(C)(C)C 735098856 AFYKGIONRBIXQL-MRXNPFEDSA-N 249.336 -0.259 50 20 BBGD CCC(=O)NNS(=O)(=O)N1CCCC1 742025941 TULGDLOFBOYYGT-UHFFFAOYSA-N 221.282 -0.642 50 20 BBGD Cc1cc(C(=O)NNC(=O)c2ccn(C)n2)n[nH]1 768275941 FVRDZXSITHJNHB-UHFFFAOYSA-N 248.246 -0.474 50 20 BBGD C[C@H]1CC(=NNC(=O)C(=O)NC2CC2)CCO1 773191971 UVKSRVURNQDBNN-ZETCQYMHSA-N 239.275 -0.064 50 20 BBGD CC(=NNC(=O)C(=O)N1CCCC1)c1cc[nH]n1 814824557 APQCSADBFKOQHQ-UHFFFAOYSA-N 249.274 -0.128 50 20 BBGD C[C@H](C(=O)NN(C)C1CC1)N1CCN(C)CC1 819647439 OVXKFHHKWQZKOU-SNVBAGLBSA-N 240.351 -0.252 50 20 BBGD CCN(CCO)NC(=O)C[C@@H](C)OC 823856208 MXWPJOOMJFNEJC-MRVPVSSYSA-N 204.270 -0.243 50 20 BBGD CC[C@]1(C(=O)NNc2cnccn2)CCNC1=O 867494443 ZVLOIOKODKNVMJ-NSHDSACASA-N 249.274 -0.164 50 20 BBGD NNC(=O)c1cncc(N2CCCC2)n1 876788582 FAKPGGURYGGKLT-UHFFFAOYSA-N 207.237 -0.320 50 20 BBGD C[C@H](O)CN(C)NC(=O)c1cccc2nn[nH]c12 910152165 MDAYIJNWCSQBJL-ZETCQYMHSA-N 249.274 -0.085 50 20 BBGD CN(C)C(=O)NNC(=O)/C=C/c1cn(C)cn1 931118744 IOSHDAGZUZKIAZ-SNAWJCMRSA-N 237.263 -0.264 50 20 BBGD CO[C@H](C(=O)NNC(C)=O)c1cnn(C)c1 1256523553 PLKRBDKMTVPEAF-QMMMGPOBSA-N 226.236 -0.725 50 20 BBGD COC(=O)C(=O)NNC(=O)NCC1CCC1 1323432715 MGFQPQJUTAPRKT-UHFFFAOYSA-N 229.236 -0.710 50 20 BBGD CC(=O)NNC(=O)c1c(C)c(C)nn(C)c1=O 1323972255 OGXAIQMKIXRGDQ-UHFFFAOYSA-N 238.247 -0.822 50 20 BBGD O=C1NCCC[C@@H]1C(=O)NNc1ncccn1 1331965579 VQGQHDSSPAIWDT-ZETCQYMHSA-N 235.247 -0.554 50 20 BBGD N#CC(C#N)=CNC[C@H]1CC[C@H](C(N)=O)O1 1332658543 VALOBQKQKOHOGS-RKDXNWHRSA-N 220.232 -0.460 50 20 BBGD CCOc1cc(C(=O)NN(C)C(N)=O)[nH]n1 1334375317 WYPMTZOVEJGZRS-UHFFFAOYSA-N 227.224 -0.536 50 20 BBGD C=C(CC)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 1348888470 VYZFAPCDUXOLDN-ZETCQYMHSA-N 225.248 -0.621 50 20 BBGD O=C(NCc1ccoc1)NNC(=O)C(=O)O 1608473105 ZCCZNJWKFQKOFN-UHFFFAOYSA-N 227.176 -0.805 50 20 BBGD CCNC(=O)NNC(=O)c1cnn(C)c1C 49165283 VMWGBJTVIZUNGH-UHFFFAOYSA-N 225.252 -0.308 50 20 BBGD O=C(NNc1ncccn1)N[C@H]1CCOC1 179158596 ASYXMHMQJBZJCU-ZETCQYMHSA-N 223.236 -0.108 50 20 BBGD O=C(CO)NN=Cc1ccc2c(c1)OCCO2 254485705 ALXUGWKEIZKYCT-UHFFFAOYSA-N 236.227 -0.100 50 20 BBGD Cc1ncccc1C(=O)NNC(=O)C(C)(C)O 276164995 AMUNXJZOZQTTTR-UHFFFAOYSA-N 237.259 -0.078 50 20 BBGD CCO/C=C(\C#N)C(=O)N(C)CCOCCO 282229776 UGLNSXSOOZJYPG-MDZDMXLPSA-N 242.275 -0.102 50 20 BBGD C[C@H](Cn1ccnc1)NCc1ccc(B(O)O)o1 585017644 GKIVFSJIIKRWJB-SECBINFHSA-N 249.079 -0.666 50 20 BBGD CCC(=O)N[C@H](C)C(=O)NNc1cccnn1 736698156 BUJYJAONECWJMR-SSDOTTSWSA-N 237.263 -0.166 50 20 BBGD COC[C@@](C)(O)C(=O)NNC(=O)C1CCCC1 754979744 CQHGEKABUHBUCI-LLVKDONJSA-N 244.291 -0.279 50 20 BBGD CCc1cc(C(=O)NNC(=O)CO)c(C)nn1 760428115 XQJWTYCMHHXJJT-UHFFFAOYSA-N 238.247 -0.899 50 20 BBGD C[C@@]1(C=NNC(=O)C(N)=O)CCCS1 792882341 FFKBRDCWTSCAEK-QMMMGPOBSA-N 215.278 -0.141 50 20 BBGD COCC(=O)NN=C(C)C[C@H]1CCC(=O)N1 811644888 OQMNUBRSGWKIJY-MRVPVSSYSA-N 227.264 -0.206 50 20 BBGD O=C(Cc1ncc[nH]1)NNC(=O)c1ccc[nH]1 816824309 VQGDWNNHYBOTRA-UHFFFAOYSA-N 233.231 -0.259 50 20 BBGD C[C@@H](CO)N(C)NC(=O)CC1(O)CCC1 823917284 GZBFMVJWADJTOG-QMMMGPOBSA-N 216.281 -0.365 50 20 BBGD CCCN1C[C@@H](C(=O)NNC(=O)NC)CC1=O 840282520 AWFOOHIZGMFVHS-ZETCQYMHSA-N 242.279 -0.795 50 20 BBGD CNC(=S)N(C)NC(=O)Cc1cc(C)[nH]n1 854924737 PVHPYMSFCUBIID-UHFFFAOYSA-N 241.320 -0.272 50 20 BBGD COC[C@H](C)NCc1ccccc1B(O)O 863890483 WSXWBFGHFWAEQO-VIFPVBQESA-N 223.081 -0.509 50 20 BBGD CCCNC(=O)NNC(=O)[C@@H](O)CCC 930791687 SIFKKNQWPBDRJE-ZETCQYMHSA-N 217.269 -0.112 50 20 BBGD Cn1cc(C=NNC(=O)Cc2cccnc2)nn1 1116379763 BKVICLDPYXMRBU-UHFFFAOYSA-N 244.258 -0.097 50 20 BBGD CN1CC[C@@H](C(=O)NNc2cccnn2)C1=O 1116669631 GOFMVEMBRIMRIL-ZETCQYMHSA-N 235.247 -0.602 50 20 BBGD COC(=O)C(=O)NNC(=S)NCC1CCC1 1318911338 HJIBEOIQHWCWIK-UHFFFAOYSA-N 245.304 -0.545 50 20 BBGD COC(=O)C(=O)NN=Cc1c(C)cnn1C 1321818822 LUNUHURKZDNYGA-UHFFFAOYSA-N 224.220 -0.648 50 20 BBGD COCC(=O)NN=Cc1snnc1C 1324217534 OFCOZZKQMWLYIU-UHFFFAOYSA-N 214.250 -0.057 50 20 BBGD Cn1nc(C(=O)NNc2ccccn2)ccc1=O 1324980401 XTXWHFYPIDUXBT-UHFFFAOYSA-N 245.242 -0.068 50 20 BBGD COC(=O)NNC(=O)c1c(O)nnc(C)c1C 1325555449 ULUGBWICWDHPEF-UHFFFAOYSA-N 240.219 -0.200 50 20 BBGD COc1nn(C)cc1C(=O)NNC(=O)N(C)C 1331954544 FVECLPYWPDXBMB-UHFFFAOYSA-N 241.251 -0.655 50 20 BBGD O=C(NNC(=O)[C@H]1C[C@H]1F)c1cn[nH]c1 1337617395 LMTLXQWIDVNUOQ-NTSWFWBYSA-N 212.184 -0.471 50 20 BBGD COCCN(CC(C)C)NC(=O)CN 1574082370 FJVJOQQGESVWRZ-UHFFFAOYSA-N 203.286 -0.419 50 20 BBGD COC(=O)NNC(=O)CCn1cc(C)cn1 158734442 HNYZPFXFDGCDHP-UHFFFAOYSA-N 226.236 -0.031 50 20 BBGD CC(=O)N1CC(C(=O)NNC(=O)C(C)(C)C)C1 191744296 QZQHNQUOCKFOAO-UHFFFAOYSA-N 241.291 -0.342 50 20 BBGD O=C(NCc1cccc(B(O)O)c1)C1CC1 205256579 WTSXPKMOIGMSHQ-UHFFFAOYSA-N 219.049 -0.607 50 20 BBGD CCN(CC)CC(=O)NNC(=O)NC 299368098 HKBQMXYFOZTPAN-UHFFFAOYSA-N 202.258 -0.712 50 20 BBGD COC(=O)N[C@@H](C)C(=O)NNC(=O)C(C)C 494167066 JWSYLYBLRMOVBZ-LURJTMIESA-N 231.252 -0.466 50 20 BBGD C[C@H]1CC[C@@H]1NCc1ccc(B(O)O)o1 585040846 QMLZMBHSYLZYMK-CBAPKCEASA-N 209.054 -0.153 50 20 BBGD CCC(CC)n1nccc1C(=O)NCB(O)O 585061095 KZFIVNVMZSFABR-UHFFFAOYSA-N 239.084 -0.014 50 20 BBGD CC(C)(C)C(=O)NCCCC(=O)NNC(N)=O 700876659 LVJBUEVQIAYSCR-UHFFFAOYSA-N 244.295 -0.372 50 20 BBGD O=C(NCC1CC1)NNC(=O)[C@@H]1C[C@@H]1C(=O)O 739408496 YXXWQOUMGQGOKV-RQJHMYQMSA-N 241.247 -0.553 50 20 BBGD CCCNC(=S)NNC(=O)C(=O)NC(C)C 747756645 PRBBTKZLWRECIX-UHFFFAOYSA-N 246.336 -0.584 50 20 BBGD C[C@H](O)CN(C)NC(=O)Cc1cnn(C)c1 821217248 GVHICGBSKQSCGK-QMMMGPOBSA-N 226.280 -0.694 50 20 BBGD CC[C@@H](C(=O)NN(C)[C@H](C)CO)N(C)C 823945943 ATSLPXSQDRPRPF-BDAKNGLRSA-N 217.313 -0.330 50 20 BBGD CCCNC(=O)NNC(=O)[C@H]1NC(=O)O[C@H]1C 841384808 GBRNSSGAGLZSFT-WDSKDSINSA-N 244.251 -0.776 50 20 BBGD C=CCOCC(=O)NNC(=O)[C@@H]1CCO[C@H]1C 843654017 YTARHDKZXSRITL-DTWKUNHWSA-N 242.275 -0.239 50 20 BBGD C#CCCCC(=O)NNC(=O)C(OC)OC 887151584 CMETVTMCDNUENN-UHFFFAOYSA-N 228.248 -0.444 50 20 BBGD CCC[C@H](O)CC(=O)NN(C)C[C@@H](C)O 910160583 KYRGSLXXOOXASY-BDAKNGLRSA-N 218.297 -0.119 50 20 BBGD COC(=O)N(C)NC(=O)N[C@@H]1COC[C@@H]1C 926031751 REMLIQVIFFCQFI-NKWVEPMBSA-N 231.252 -0.066 50 20 BBGD Cn1nncc1NNC(=O)[C@]1(F)CCOC1 1328637883 UDNGNOISRHNLDF-QMMMGPOBSA-N 229.215 -0.613 50 20 BBGD C[C@@H](C(=O)NNc1ccncn1)[C@H]1CCC(=O)N1 1348344181 JOOWZGBSTQMFNX-HTQZYQBOSA-N 249.274 -0.166 50 20 BBGD N#Cc1ccc(NNC(=O)NCCN)nc1 1580070480 YKANYIKHFSBURK-UHFFFAOYSA-N 220.236 -0.462 50 20 BBGD COC(=O)N(C)NC(=O)[C@H]1CC[C@H]1C(=O)O 1598876542 XKKZZDHHMNAMOA-NTSWFWBYSA-N 230.220 -0.173 50 20 BBGD C[C@@H]1CC[C@H](C(=O)NNC(=O)CCC(=O)O)O1 1605004490 WZDKEQZMZNHEOJ-RNFRBKRXSA-N 244.247 -0.434 50 20 BBGD CCNC(=O)NNC(=O)/C=C/c1cnn(C)c1 49183396 UIUXCOMWCGVXQS-SNAWJCMRSA-N 237.263 -0.216 50 20 BBGD COCCCNC(=O)NNC(=S)NC1CC1 64937335 KPKATDQAZARGHO-UHFFFAOYSA-N 246.336 -0.136 50 20 BBGD Nc1nccnc1C(=O)NNC(=O)C1CCC1 264955810 VJYPECHQCHEQID-UHFFFAOYSA-N 235.247 -0.380 50 20 BBGD Cn1ccc(C(=O)NNC(=O)NCC2CC2)n1 727374075 VCEZQKHAFUTPTJ-UHFFFAOYSA-N 237.263 -0.226 50 20 BBGD CCCNC(=O)CCCC(=O)NNC(=O)NC 732754962 MDYCSORZYXZATG-UHFFFAOYSA-N 244.295 -0.357 50 20 BBGD COCCCC(=O)NNC(=O)c1cnn(C)c1 735446254 IGNSWEAPRMVRLL-UHFFFAOYSA-N 240.263 -0.392 50 20 BBGD CNC(=O)NCC(=O)NNc1cccc(C#N)c1 761996932 ULBOWHSNVUGLRA-UHFFFAOYSA-N 247.258 -0.070 50 20 BBGD CN1CCO[C@@H](C(=O)N2CC=C(C#N)CC2)C1 767160151 NLUHQAITLWMVGF-LLVKDONJSA-N 235.287 -0.001 50 20 BBGD O=C(CO)NNC(=O)CCCc1ccccn1 777781489 UWIAMBYFWIPFPT-UHFFFAOYSA-N 237.259 -0.456 50 20 BBGD COc1ccc(NNC(=O)c2nc[nH]n2)nc1 781537746 SPVWQUMBSXKNCD-UHFFFAOYSA-N 234.219 -0.035 50 20 BBGD CCOC(=O)NNC(=O)Nc1cnnn1C 809899260 HFKHVFTYASALKC-UHFFFAOYSA-N 228.212 -0.402 50 20 BBGD CC(=O)N(C)CC(=O)NNc1ncncc1F 817078775 UGTGSVKOMPNHCQ-UHFFFAOYSA-N 241.226 -0.463 50 20 BBGD CNC(=S)N(C)NC(=O)[C@H]1CCCN1C=O 854927459 JFEIVUIKCVDGDI-SSDOTTSWSA-N 244.320 -0.926 50 20 BBGD O=C1N[C@@H](C(=O)NNC(=O)C2CC2)CCO1 858122547 WXWGEDQDRFONRY-ZCFIWIBFSA-N 227.220 -0.958 50 20 BBGD COCCCC(=O)NNC(=O)c1cn[nH]c1 862474486 MELOFBHATKDISW-UHFFFAOYSA-N 226.236 -0.403 50 20 BBGD COC(=O)N(C)NC(=O)N[C@H]1C[C@@H](C)OC1=O 896373405 RYUBCADWHBKGDD-RITPCOANSA-N 245.235 -0.397 50 20 BBGD CN1C(=O)CCC[C@H]1C(=O)NNc1ncccn1 905898151 RZYKLBSMBXODHW-QMMMGPOBSA-N 249.274 -0.069 50 20 BBGD C=C[C@](C)(O)C(=O)NN(C)C[C@@H](C)O 910150963 XQENFBMSWSYFAY-APPZFPTMSA-N 202.254 -0.733 50 20 BBGD CCn1nccc1C(=O)NN(C)C[C@@H](C)O 910160406 NQRMGJCFXJKBSK-MRVPVSSYSA-N 226.280 -0.140 50 20 BBGD NC(=O)[C@@H]1CC[C@H](CNC(=O)CCl)O1 1253967859 DAHSWRXFNNEEHM-RITPCOANSA-N 220.656 -0.626 50 20 BBGD O=C(CCO)NN=Cc1cnc2cnccn12 1318991919 GSQGLFKXBVSPAL-UHFFFAOYSA-N 233.231 -0.438 50 20 BBGD O=C(NNC(=O)C1(O)CCOCC1)C1CCC1 1321351077 WEXKHMVXDUXSIX-UHFFFAOYSA-N 242.275 -0.525 50 20 BBGD CO[C@@H](CN)C(=O)NNC(=S)NC(C)(C)C 1579110998 AYMIKEMMCQYAQN-LURJTMIESA-N 248.352 -0.746 50 20 BBGD CC[C@@H](C)[C@@H](NNC(=O)C(=O)O)C(=O)OC 1604945119 KTPDRKZQDMTLAV-PHDIDXHHSA-N 232.236 -0.721 50 20 BBGD Cc1ccnc(NNC(=O)COCC(=O)O)c1 1605359555 GSQIVIKVOFVRCN-UHFFFAOYSA-N 239.231 -0.066 50 20 BBGD COc1ccc(C(=O)NNC(=O)CO)cc1 11638901 QFOIIRLHOMCERV-UHFFFAOYSA-N 224.216 -0.552 50 20 BBGD CN(C)CC(=O)NNC(=O)Nc1nccs1 155420541 JPAOMLBHUMRDGH-UHFFFAOYSA-N 243.292 -0.143 50 20 BBGD CO[C@H](C)CCNCc1ccccc1B(O)O 585021279 RTCWYMXOHCBXMF-SNVBAGLBSA-N 237.108 -0.119 50 20 BBGD OB(O)c1ccccc1CNCC1=CCCOC1 585040454 KLGZKCLGHZGIQE-UHFFFAOYSA-N 247.103 -0.197 50 20 BBGD C=C[C@@H]1OCC[C@H]1NCc1ccc(B(O)O)cc1 585042968 GOGOWBLJQIXIOK-OLZOCXBDSA-N 247.103 -0.201 50 20 BBGD CCC(CC)(C(=O)O)C(=O)NCB(O)O 585062771 MUXZVWNXVVMBEE-UHFFFAOYSA-N 217.030 -0.994 50 20 BBGD O=C(NNC(=O)[C@H](O)c1cccnc1)C1CC1 731867144 XFMSUFQISRKNDK-SECBINFHSA-N 235.243 -0.328 50 20 BBGD C[C@H]1C[C@@H]1C(=O)NNC(=O)C(=O)N1CCCC1 748247016 SEGTUEHMVYTPRT-YUMQZZPRSA-N 239.275 -0.588 50 20 BBGD COC[C@@](C)(O)C(=O)NNC(=O)C(C)(C)C 754988342 NSXXVAXMPJXBCT-SNVBAGLBSA-N 232.280 -0.423 50 20 BBGD CCNC(=O)NNC(=O)C[C@@](C)(O)C1CC1 755664063 GPHDCIOEPZYKBT-SNVBAGLBSA-N 229.280 -0.112 50 20 BBGD Cc1n[nH]cc1C(=O)NNC(=O)c1cn(C)cn1 759013616 OGODTFBKIKONAA-UHFFFAOYSA-N 248.246 -0.474 50 20 BBGD Cn1cccc1C(=O)NNC(=O)c1cncnc1 760474068 CQLNUUZQRHEWMH-UHFFFAOYSA-N 245.242 -0.110 50 20 BBGD CON=CC(=O)NNC(=O)c1ccccc1O 774326234 BUOOVJQVPRAIKY-UHFFFAOYSA-N 237.215 -0.215 50 20 BBGD O=C(CN1C[C@H]2C=C[C@H]1C2)NNC(=O)C1CC1 791295351 SYSJWERXBYMGCT-WPRPVWTQSA-N 235.287 -0.196 50 20 BBGD CCNC(=O)N(C)NC(=O)CSCC(=O)O 820354029 KUSPEYHDSZXGPD-UHFFFAOYSA-N 249.292 -0.503 50 20 BBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)C1(O)CCC1 843970776 LEHWQTCXSXGPAR-HTQZYQBOSA-N 242.275 -0.526 50 20 BBGD COCCOCC(=O)NNC(=O)/C=C/SC 869909648 DWFZHSSCXRKMBS-ZZXKWVIFSA-N 248.304 -0.327 50 20 BBGD CCOCC(=O)NNC(=O)NCC(F)F 879758976 ACDIXSFZIHRYPE-UHFFFAOYSA-N 225.195 -0.382 50 20 BBGD Cc1nc[nH]c1C(=O)NN(C)C[C@H](C)O 910140753 MBKCQPXGVDQEDP-LURJTMIESA-N 212.253 -0.324 50 20 BBGD C[C@@H](O)CN(C)NC(=O)Cn1cccn1 910179335 KURIOPFBASYNGF-MRVPVSSYSA-N 212.253 -0.773 50 20 BBGD COCCCNC(=O)NNC(=O)c1ccc[nH]1 915879624 HTGYRACMGHKDGD-UHFFFAOYSA-N 240.263 -0.005 50 20 BBGD CNC(=O)NNC(=O)C1(C(=O)NC2CC2)CC1 1115950786 DRAAQRMAXGFUDR-UHFFFAOYSA-N 240.263 -0.995 50 20 BBGD COCCN(C)NC(=O)c1cnn(CCO)c1 1123881965 ZBUWGOWEGPURGV-UHFFFAOYSA-N 242.279 -0.902 50 20 BBGD COc1nccnc1NNC(=O)c1[nH]nnc1C 1261364386 HWTHCIRUMYKYLN-UHFFFAOYSA-N 249.234 -0.331 50 20 BBGD CNC(=O)NNC(=O)c1cc(C(C)=O)c[nH]1 1317992705 KNSPAZFMCXTDFE-UHFFFAOYSA-N 224.220 -0.209 50 20 BBGD O=C(NNc1ncccc1[N+](=O)[O-])c1cnn[nH]1 1319178244 SDZMAPPGSYBBKP-UHFFFAOYSA-N 249.190 -0.135 50 20 BBGD COc1coc(C(=O)NNC(C)=O)cc1=O 1322576108 QZNVXVUDOPCGOE-UHFFFAOYSA-N 226.188 -0.571 50 20 BBGD Cn1cccc1C(=O)NNc1cnnn1C 1324290531 LUBNFORTPXCIEX-UHFFFAOYSA-N 220.236 -0.090 50 20 BBGD COCCN(C)NC(=O)CCS(C)(=O)=O 1324335699 DTSZZLDLXQUWRJ-UHFFFAOYSA-N 238.309 -0.970 50 20 BBGD C[C@H](C#N)C(=O)NNC(=O)Cc1cc[nH]n1 1337766769 OXUVUMRFTHPABC-ZCFIWIBFSA-N 221.220 -0.741 50 20 BBGD O=C(NCC1CC1)NNC(=O)c1ccncn1 1343074227 XSXUDEBZEAXIHB-UHFFFAOYSA-N 235.247 -0.169 50 20 BBGD CCN(CCO)NC(=O)[C@]1(C)CC(C)=NO1 1358319433 BLRZGBHAXSGCHL-JTQLQIEISA-N 229.280 -0.113 50 20 BBGD CNC(=O)NNC(=O)c1cccc(CN)c1 1574078838 DDNZDVYOABHTJI-UHFFFAOYSA-N 222.248 -0.281 50 20 BBGD CCO/C=C(\C#N)C(=O)NC[C@@](C)(O)C(=O)O 1591765149 NOCPCPOZDWRVGS-BREXMAIKSA-N 242.231 -0.618 50 20 BBGD C[C@@H]1C[C@H]1CNC(=O)NNC(=O)C(=O)O 1609846978 KXSVDBAWPGQCLG-UHNVWZDZSA-N 215.209 -0.943 50 20 BBGD O=C(O)/C=C/c1ccc(C=NNC(=O)CO)o1 1776052639 CWOBXRNQSIBELG-UJZLBUEPSA-N 238.199 -0.180 50 20 BBGD CC(=O)N[C@@H](C(=O)NNC(=O)C1CC1)C(C)C 26967446 YXGCOLQMNDWVGJ-SECBINFHSA-N 241.291 -0.296 50 20 BBGD CN(C)CC(=O)NNC(=O)c1cc(C#N)c[nH]1 175539682 XFVOTQPSABHKBA-UHFFFAOYSA-N 235.247 -0.791 50 20 BBGD CC(C)CS(=O)(=O)N1CC[C@H](B(O)O)C1 585057501 FVVNARGRIJLXRE-QMMMGPOBSA-N 235.114 -0.479 50 20 BBGD CCCCCc1cc(C(=O)NCB(O)O)n[nH]1 585063338 YDPMYDYGCFODQT-UHFFFAOYSA-N 239.084 -0.116 50 20 BBGD CN(Cc1cn(C)nn1)S(=O)(=O)CCl 701769580 AVOOLOXCUROLMN-UHFFFAOYSA-N 238.700 -0.227 50 20 BBGD CCCNC(=O)NNC(=O)C(C)(C)NC(=O)O 737025279 RRKGVFPJAVNGNY-UHFFFAOYSA-N 246.267 -0.227 50 20 BBGD CCC(=O)N[C@H](C)C(=O)NNC(=O)N(C)C 746001265 FLDWTCOJWJHGRR-ZCFIWIBFSA-N 230.268 -0.797 50 20 BBGD CCNC(=O)NNC(=O)COCCCOC 775675660 HHQIXBIATIDRDI-UHFFFAOYSA-N 233.268 -0.610 50 20 BBGD COC(=O)N(C)NC(=O)CCCn1cncn1 804123979 REOFWXFVGJVZAL-UHFFFAOYSA-N 241.251 -0.212 50 20 BBGD C[C@@](C#N)(CC(=O)O)C(=O)NNc1ncccn1 819849297 YTYWEPYXPJBBOX-JTQLQIEISA-N 249.230 -0.076 50 20 BBGD CC[C@](C)(O)C(=O)NNC(=O)[C@H]1CCCCO1 820936521 MVYCHUDFRATZQG-KCJUWKMLSA-N 244.291 -0.136 50 20 BBGD CN1CCC(=NNC(=O)[C@H]2CCCCO2)C1=O 834987431 XJUNHALMBVRHHD-SECBINFHSA-N 239.275 -0.110 50 20 BBGD Cc1[nH]nc(C(=O)NNc2ccncn2)c1O 857520807 OPRCZQANUXFTFX-UHFFFAOYSA-N 234.219 -0.029 50 20 BBGD COC1CC(C(=O)NNC(=O)C(C)(C)O)C1 861206233 SKEPHQJOBTYUAK-UHFFFAOYSA-N 230.264 -0.670 50 20 BBGD CC(=O)OC(C)(C)C(=O)NN(C)C[C@H](C)O 910161544 VPCQYGNVAVGNNN-ZETCQYMHSA-N 232.280 -0.328 50 20 BBGD C[C@H](O)CN(C)NC(=O)CCN1CCOC1=O 910168421 NXCFSVUWCQSJDM-QMMMGPOBSA-N 245.279 -0.828 50 20 BBGD O=C(NNS(=O)(=O)C1CC1)C1CCOCC1 1119287568 KRWAEISOVDXKCL-UHFFFAOYSA-N 248.304 -0.474 50 20 BBGD C[C@@H](CO)N(C)NC(=O)c1ccc[n+]([O-])c1 1261910677 GLXNKDUYDABLIZ-QMMMGPOBSA-N 225.248 -0.723 50 20 BBGD CCc1ocnc1C(=O)NNC(=O)NC 1322012495 MSETUDJHCUXQES-UHFFFAOYSA-N 212.209 -0.189 50 20 BBGD CN(NC(=O)c1nc(O)nc(O)c1N)C1CC1 1326618669 YRDCJFBTAZNMOY-UHFFFAOYSA-N 239.235 -0.791 50 20 BBGD O=S(=O)(CCl)N1CC[C@@H](B(O)O)C1 1331897671 YLWXCFAHKSDWBX-RXMQYKEDSA-N 227.478 -0.939 50 20 BBGD CC(=O)NNC(=O)[C@H](c1cncn1C)N(C)C 1339801689 DUNNLMHMKYGKHU-VIFPVBQESA-N 239.279 -0.810 50 20 BBGD CC(CS(C)(=O)=O)=NNC(=O)c1cc[nH]n1 1347219692 NQKOATWVSJOGKT-UHFFFAOYSA-N 244.276 -0.440 50 20 BBGD CCC[C@H](OCC)C(=O)NNC(=O)NCCN 1577371585 BPFWFGQNDPSEFO-QMMMGPOBSA-N 246.311 -0.519 50 20 BBGD CN1CCO[C@H](CNC(=O)[C@H](F)Cl)C1 2088605370 WEBYAFJPEYUGMT-RQJHMYQMSA-N 224.663 -0.032 50 20 BBGD COC(=O)N(C)CC(=O)NNc1ncccn1 48890821 HWSVRJLMRHGFBW-UHFFFAOYSA-N 239.235 -0.382 50 20 BBGD COC(=O)N(C)NC(=O)[C@H]1COCCO1 286171765 BVHJTWJZNFDCPB-ZCFIWIBFSA-N 218.209 -0.869 50 20 BBGD CC(=NNC(=O)C(N)=O)c1ccc(O)c(F)c1 728427038 GHEUARNJDMJCHG-UHFFFAOYSA-N 239.206 -0.143 50 20 BBGD NC(=O)c1ccc(C=NNC(=O)CO)cc1 776779880 MTGQTAVCEMHNRW-UHFFFAOYSA-N 221.216 -0.772 50 20 BBGD CCNC(=O)CCCC(=O)NN(C)CCOC 808074414 BVNSLKBLXHCGGN-UHFFFAOYSA-N 245.323 -0.098 50 20 BBGD CCOC(=O)[C@@H]1C[C@H]1C(=O)NN(C)[C@H](C)CO 823384885 WPLXZHQYQJYGGR-IWSPIJDZSA-N 244.291 -0.471 50 20 BBGD C[C@@H](CO)N(C)NC(=O)CCCC(=O)N(C)C 823959359 GXAOQMHINYGFNC-VIFPVBQESA-N 245.323 -0.411 50 20 BBGD CCCN(C)C(=O)NNC(=O)[C@H]1CCC(=O)N1 858698097 VCKZALUEUDBUKM-SSDOTTSWSA-N 242.279 -0.652 50 20 BBGD CCOC(=O)NNC(=O)[C@@H]1[C@H]2CCC(=O)[C@@H]21 905070375 DXFPYZGWHJZCTR-UIISKDMLSA-N 226.232 -0.011 50 20 BBGD Cc1nnsc1C(=O)NN(C)C[C@H](C)O 910178032 RJVZZMDXNZNOPJ-YFKPBYRVSA-N 230.293 -0.196 50 20 BBGD CCC(=O)NNC(=O)[C@H](C)N[C@@H]1COC[C@H]1C 932486456 DMPCGCWVPWJLDU-HRDYMLBCSA-N 243.307 -0.443 50 20 BBGD CC[C@@H](F)C(=O)NNC(=O)Cc1cc[nH]n1 1262607465 BHGMTADLFIVATI-SSDOTTSWSA-N 228.227 -0.152 50 20 BBGD CC(C)n1cc(C=NNC(=O)C(N)=O)cn1 1318420888 KTQLTMTXHHCPRE-UHFFFAOYSA-N 223.236 -0.601 50 20 BBGD Cn1cc(C(=O)NNC(=O)CC#N)cn1 1325745730 YGIHRIYRIOGZBC-UHFFFAOYSA-N 207.193 -0.905 50 20 BBGD CNC(=S)N(C)NC(=O)c1cnns1 1347797929 YEEKKXCWDGXFDI-UHFFFAOYSA-N 231.306 -0.381 50 20 BBGD CNC(=O)NNC(=O)C1(F)CCNCC1 1578558453 SRIYVGNMEQCIQL-UHFFFAOYSA-N 218.232 -0.962 50 20 BBGD Cn1ccc(NNC(=O)[C@@H]2CC[C@@H]2C(=O)O)n1 1594550862 XHSCIRBMSNHCFQ-RQJHMYQMSA-N 238.247 -0.026 50 20 BBGD CC[C@@H](C(=O)O)C(=O)NNC(=O)C(C)C 1594756174 ZHNYUMDEEXEBCV-ZCFIWIBFSA-N 216.237 -0.099 50 20 BBGD CNC(=S)N(C)NC(=O)[C@@H]1C[C@@H]1C(=O)O 1598662098 SEDXMZVICCOKJC-UHNVWZDZSA-N 231.277 -0.826 50 20 BBGD CO[C@@H](C(=O)O)C(=O)NNC(=O)C1CCC1 1604433145 CRYWSXCYFSCRMX-ZCFIWIBFSA-N 230.220 -0.967 50 20 BBGD Cc1nsc(C=NNC(=O)CO)c1C(=O)O 1776052640 DFFRCPJHEOYAER-UHFFFAOYSA-N 243.244 -0.408 50 20 BBGD O=C(NNC(=S)NC1CC1)c1cnccn1 22082710 BTOLIKGRPKVHBD-UHFFFAOYSA-N 237.288 -0.252 50 20 BBGD CC(=NNC(=O)C(N)=O)c1cc(F)ccc1O 254870625 ZCAWUMGYCGNRNJ-UHFFFAOYSA-N 239.206 -0.143 50 20 BBGD CCO/C=C(\C#N)C(=O)N(CCO)CCOC 271775512 JQPFPOHPQFYTNF-MDZDMXLPSA-N 242.275 -0.102 50 20 BBGD Cc1nonc1C(=O)NNC(=O)[C@@H]1CCCO1 294217125 YOYMZULIWWUSJJ-LURJTMIESA-N 240.219 -0.682 50 20 BBGD CC(C)(CO)C(=O)Nc1cccc(B(O)O)c1 584914370 VZHJKTOWBDDTEI-UHFFFAOYSA-N 237.064 -0.677 50 20 BBGD C[C@@H](O)C1(NCc2ccc(B(O)O)cc2)CC1 585049360 DUKLHVYCYLSDPA-SECBINFHSA-N 235.092 -0.631 50 20 BBGD COC(=O)N(C)NC(=O)CN(C)C(=O)C1CC1 804125302 AUKMBVLWROMRKH-UHFFFAOYSA-N 243.263 -0.416 50 20 BBGD CCCCNC(=O)NNC(=O)[C@@H](O)C1CC1 823756009 QNLHTLRRMCWSAH-QMMMGPOBSA-N 229.280 -0.112 50 20 BBGD C[C@H](CO)N(C)NC(=O)c1ccn(C)n1 823959517 KFQQMDABNWJAQC-SSDOTTSWSA-N 212.253 -0.623 50 20 BBGD CC(C)[C@H](C(=O)NN(C)[C@H](C)CO)N(C)C 823959709 OGHZKBZCUNATJG-NXEZZACHSA-N 231.340 -0.084 50 20 BBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)[C@H]1C[C@@H](O)C1 824016542 NQWXTUDTQMSKLQ-LURQLKTLSA-N 242.275 -0.670 50 20 BBGD COCC1(CC(=O)NN(C)C(N)=O)CC1 843845154 TZEBTPDRPAYAAZ-UHFFFAOYSA-N 215.253 -0.155 50 20 BBGD CC(=O)CCC(=O)NNC(=O)[C@H]1CCO[C@H]1C 843971942 CSHDWEKGRFUWMT-IUCAKERBSA-N 242.275 -0.072 50 20 BBGD CNC(=S)N(C)NC(=O)CCCOC 854925893 PAPOIFKUQJSTAE-UHFFFAOYSA-N 219.310 -0.120 50 20 BBGD O=C(NNc1nc[nH]n1)[C@H]1CCc2nccn2C1 857261107 HNZCAZHNFVIYBC-ZETCQYMHSA-N 247.262 -0.293 50 20 BBGD C[C@@H]1O[C@H](C)[C@@H](C(=O)NNC(=O)CO)[C@@H]1C 863903824 VCZYQYVVXIRGQX-AYHNYZOXSA-N 230.264 -0.814 50 20 BBGD OB(O)c1ccccc1CNC[C@H]1C[C@H](O)C1 877811571 PMCGZVAOSZHPBD-HOMQSWHASA-N 235.092 -0.773 50 20 BBGD C#CCCCC(=O)NNC(=O)[C@H](C)OC 887142108 WMXMCQJUHKZLNX-QMMMGPOBSA-N 212.249 -0.028 50 20 BBGD C[C@H](O)CN(C)NC(=O)c1nc[nH]c2nccc1-2 910138509 JPYLIKOTSSPIJO-ZETCQYMHSA-N 249.274 -0.133 50 20 BBGD Cc1nnsc1C(=O)NNC(=O)NC1CC1 1116759290 SWZODTRGFSCVFI-UHFFFAOYSA-N 241.276 -0.047 50 20 BBGD CC(=O)NNC(=O)CC[C@@H]1CCOC1 1117738193 ATWNAUWYERDWDM-MRVPVSSYSA-N 200.238 -0.030 50 20 BBGD COCCCNC(=O)NNC(=O)c1ncc[nH]1 1118572796 VHPDIYPRDQHDBV-UHFFFAOYSA-N 241.251 -0.610 50 20 BBGD CCc1cc(C(=O)NNC(=O)OC)nn1C 1320261261 QSHDFXDGAJJSNF-UHFFFAOYSA-N 226.236 -0.017 50 20 BBGD CN(NC(=O)c1c[nH]nc1C1CC1)C(N)=O 1321004044 ARZFWNZUSIBYBZ-UHFFFAOYSA-N 223.236 -0.058 50 20 BBGD CCNC(=O)NNC(=O)c1cc(C=O)c[nH]1 1326248534 PSNIPQCAIAOTKY-UHFFFAOYSA-N 224.220 -0.209 50 20 BBGD COC(=O)C(=O)NNC(=O)N[C@H]1C=CCC1 1330142595 NZRCAQDAMTXKCW-LURJTMIESA-N 227.220 -0.792 50 20 BBGD C[C@@H](O)CN(C)NC(=O)c1cc(CO)on1 1332148536 MHLWXPYIZAEQMV-ZCFIWIBFSA-N 229.236 -0.876 50 20 BBGD CN(NC(=O)CCn1cncn1)C1CC1 1348980160 UESHGMRLAXLXAO-UHFFFAOYSA-N 209.253 -0.206 50 20 BBGD C[C@@H](C(=O)NNC(=O)c1cccnn1)C1CNC1 1575071000 FXKJQGLMKIDSCP-SSDOTTSWSA-N 249.274 -0.907 50 20 BBGD C=C(C)CCNC(=O)NNC(=O)C(=O)O 1588559720 RPWYHJYXVXVDDB-UHFFFAOYSA-N 215.209 -0.632 50 20 BBGD Cc1ncsc1C=NNC(=O)C(=O)O 1610564980 RUHBARSNMCXIEY-UHFFFAOYSA-N 213.218 -0.014 50 20 BBGD O=C(O)CNC(=O)NN=Cc1cc[nH]c1 1610783656 OUTVRMYOYWFPKX-UHFFFAOYSA-N 210.193 -0.268 50 20 BBGD O=S(=O)(CCl)N1CC[C@@H](CO)C1 156851621 RRVPSNGDAPNQRL-ZCFIWIBFSA-N 213.686 -0.173 50 20 BBGD Cc1cc(C(=O)NNC(=O)CN(C)C)co1 189250947 OBVJUMOKWJOMQZ-UHFFFAOYSA-N 225.248 -0.089 50 20 BBGD CCOc1cncc(N2CC[C@H](B(O)O)C2)n1 585078482 FAXIKZKFSKLBTP-QMMMGPOBSA-N 237.068 -0.072 50 20 BBGD CCCC(=O)NNC(=O)Cc1cc[nH]n1 730091510 DDVSPMDZPSDQCA-UHFFFAOYSA-N 210.237 -0.100 50 20 BBGD CC(C)CC(=O)NNC(=O)C1(C(N)=O)CC1 731603965 XDBHJCGDECSBQC-UHFFFAOYSA-N 227.264 -0.555 50 20 BBGD CCOCC(=O)NN=C(C)CS(C)(=O)=O 732532755 OXCHRVIWCKFBGL-UHFFFAOYSA-N 236.293 -0.440 50 20 BBGD CC[C@@H](C)[C@@H](OC)C(=O)NNC(=O)CN(C)C 795071113 QJEOAQSAVGTWSV-PSASIEDQSA-N 245.323 -0.244 50 20 BBGD NC(=O)C1(C(=O)NNc2cccc(F)n2)CC1 804770295 ZSFNJRVTIGXIMN-UHFFFAOYSA-N 238.222 -0.071 50 20 BBGD Cc1cc(C)nc(NNC(=O)[C@@H]2CCNC2=O)n1 820523656 PKSCOZIFZCJNDR-MRVPVSSYSA-N 249.274 -0.327 50 20 BBGD CCO[C@H](CC)C(=O)NNC(=O)CN(C)C 839638053 HGNBMZFKJVFVSJ-MRVPVSSYSA-N 231.296 -0.490 50 20 BBGD COCCN(C)NC(=O)COc1cc(C)on1 848377243 DYABLESQRFVHDH-UHFFFAOYSA-N 243.263 -0.029 50 20 BBGD CCNC(=O)N(C)NC(=O)[C@H](C)NCC 876885832 RDTRZVKLDJBVEM-ZETCQYMHSA-N 216.285 -0.323 50 20 BBGD OCc1ccnc(N2CC[C@@H](B(O)O)C2)c1 900965819 OBOWUXRIWNFAHH-SECBINFHSA-N 222.053 -0.373 50 20 BBGD COC/C=C\C(=O)NN(C)C[C@@H](C)O 910151576 CUITXCHMZQHSBW-PULIVWKDSA-N 202.254 -0.467 50 20 BBGD CCC(=O)NNC(=O)[C@@H](C)N1C[C@@H](N)[C@H](C)C1 923510489 USXAHKASVZXFQS-IWSPIJDZSA-N 242.323 -0.789 50 20 BBGD CCNC(=O)NNC(=O)Cc1ncc[nH]1 1118570953 AQNWBNKZCYTLRL-UHFFFAOYSA-N 211.225 -0.698 50 20 BBGD COC(=O)N(C)NC(=O)NCc1cnccn1 1123849789 KUWGTLLMSSOFJK-UHFFFAOYSA-N 239.235 -0.111 50 20 BBGD NC(=O)CN1CCC[C@@H](NC(=O)CCl)C1 1253968339 NNPVVZCHPVBSQH-SSDOTTSWSA-N 233.699 -0.709 50 20 BBGD CCOCCC(=O)NNc1cnnn1C 1324568496 BIFHBUWSSGXBRW-UHFFFAOYSA-N 213.241 -0.315 50 20 BBGD O=C(C[C@@H]1CC(=O)N1)NNC(=O)c1ccc[nH]1 1327736000 UDBRLMQOSFDNTN-LURJTMIESA-N 236.231 -0.946 50 20 BBGD O=C1NCC[C@@H]1C(=O)NNc1ncncc1F 1328703421 DKGNCWJZWMHYHR-YFKPBYRVSA-N 239.210 -0.805 50 20 BBGD O=C(CO)NNC(=O)[C@@H]1CCOC2(CCC2)C1 1332060469 IBTJQCMPWCRFLH-MRVPVSSYSA-N 242.275 -0.525 50 20 BBGD CC(C)C(=O)NNC(=O)[C@@]12CNC[C@@H]1CCO2 1575399018 TZXJNEVNWVPEHJ-GZMMTYOYSA-N 241.291 -0.832 50 20 BBGD CC[C@@H](C)[C@H](NNC(=O)C(=O)O)C(=O)OC 1604945121 KTPDRKZQDMTLAV-RITPCOANSA-N 232.236 -0.721 50 20 BBGD CC(C)NC(=S)NNC(=O)[C@H](C)C(=O)O 1609828163 IDHYBAJXSMBPND-YFKPBYRVSA-N 233.293 -0.389 50 20 BBGD O=S(=O)(CCl)N1CCC[C@@H]1CO 82513069 DEZDALJUHGJWQG-ZCFIWIBFSA-N 213.686 -0.031 50 20 BBGD CN(C)CC(=O)NNC(=O)Nc1ccncc1 156239273 HNFGGBLOEUKESS-UHFFFAOYSA-N 237.263 -0.204 50 20 BBGD C[C@@H](C(=O)NNC(=O)CN(C)C)C1CC1 175831194 AEUPGSMBLZSYSG-SSDOTTSWSA-N 213.281 -0.259 50 20 BBGD CN(C)CC#Cc1cccc(B(O)O)c1 205042208 NSZXRNCJAVWUQE-UHFFFAOYSA-N 203.050 -0.721 50 20 BBGD CC[C@H](OC)C(=O)NNC(=O)c1cnn(C)c1 265353919 UXXCMJJSDHWYSL-QMMMGPOBSA-N 240.263 -0.394 50 20 BBGD C=CCNC(=S)NNC(=O)[C@H](O)C(C)C 285305145 YMYMIUJBGUJQGV-SSDOTTSWSA-N 231.321 -0.315 50 20 BBGD CN(NC(=O)[C@H](F)C(F)(F)F)C(N)=O 291510824 TYSRYPKGXGGAPZ-REOHCLBHSA-N 217.122 -0.072 50 20 BBGD COC(=O)NNC(=O)Cc1cnn(C)c1 495366936 KQQLEEHXIBFOOG-UHFFFAOYSA-N 212.209 -0.650 50 20 BBGD COCCc1nc(-c2cccc(B(O)O)c2)no1 585051896 OGCDNRWZLUXWPL-UHFFFAOYSA-N 248.047 -0.395 50 20 BBGD O=S(=O)(CC1CCC1)N1CC[C@@H](B(O)O)C1 585058612 KRRKRYJDWMPXEL-SECBINFHSA-N 247.125 -0.335 50 20 BBGD COc1cccc(OCC(=O)NCB(O)O)c1 585061488 YVTDBMHINOLULG-UHFFFAOYSA-N 239.036 -0.798 50 20 BBGD CC(C)C(=O)NNC(=O)[C@H]1CN(C)CCO1 746095839 FBYBGUAHEAFIRT-MRVPVSSYSA-N 229.280 -0.880 50 20 BBGD CC(C)C(=O)NNC(=O)c1ccnnc1 756746259 SMUCEVZHHNLJDA-UHFFFAOYSA-N 208.221 -0.106 50 20 BBGD CCN(CCO)NC(=O)c1cc(C)[nH]n1 823852582 JXHDHALNPXWDEE-UHFFFAOYSA-N 212.253 -0.323 50 20 BBGD CC(C)NC(=O)NNC(=O)[C@H](C)NC(=O)O 833503346 XRFPCVFKGAYKNS-YFKPBYRVSA-N 232.240 -0.619 50 20 BBGD C[C@H]1COC(=O)C1=NNC(=O)c1cc[nH]n1 853392985 YBDHLWRZWIZEOX-YFKPBYRVSA-N 222.204 -0.312 50 20 BBGD CN1CCC[C@@H]1C(=O)NNC(=O)c1cccnc1 895472697 FVLOLXVJDDJLGB-SNVBAGLBSA-N 248.286 -0.063 50 20 BBGD O=C(O)C1CC(NCc2ccccc2B(O)O)C1 901796367 PPDLYXHMXSDRBG-UHFFFAOYSA-N 249.075 -0.681 50 20 BBGD COCC1(C(=O)NN(C)C[C@H](C)O)CC1 1119582053 RBXIXMJSHVSHRZ-QMMMGPOBSA-N 216.281 -0.243 50 20 BBGD CN(NC(=O)c1csc(O)n1)C(N)=O 1321052896 FNHLBMOHMXCVBP-UHFFFAOYSA-N 216.222 -0.496 50 20 BBGD CN(C)N(C(=O)C1CC1)[C@@H]1CCS(=O)(=O)C1 1321497974 PFETYXISTWIMJI-SECBINFHSA-N 246.332 -0.111 50 20 BBGD CNC(=O)NNC(=O)c1scnc1COC 1321632631 PFKBRPGUWXIRNA-UHFFFAOYSA-N 244.276 -0.137 50 20 BBGD COC(=O)C(=O)NN=C1CCO[C@H]1C 1322845508 NAUYDCAVSPPDAO-YFKPBYRVSA-N 200.194 -0.560 50 20 BBGD COC(=O)c1cccc(C=NNC(=O)C(N)=O)c1 1332888871 JNOLZQDMFVHMJY-UHFFFAOYSA-N 249.226 -0.591 50 20 BBGD CC[C@@H](NC(=O)NNC(=O)C(=O)O)C1CC1 1595253604 UVTYTPKAULRMNT-ZCFIWIBFSA-N 229.236 -0.410 50 20 BBGD O=C(NN[C@@H](C(=O)O)C1CC1)c1cccnn1 1601557757 RODSRLBRVVHQLQ-MRVPVSSYSA-N 236.231 -0.426 50 20 BBGD O=C(O)C(=O)NN=C1COc2ccccc21 1608531153 SJNXNEGEOQGNJS-UHFFFAOYSA-N 220.184 -0.016 50 20 BBGD CN(C)CC(=O)NNC(=O)c1ccc(F)cn1 182723749 FVFLHZPXGPJLIY-UHFFFAOYSA-N 240.238 -0.457 50 20 BBGD C[C@@H]1CC(=NNC(=O)CO)CC[C@H]1C(=O)O 382039781 XDPZKADPPZQKCY-HTRCEHHLSA-N 228.248 -0.028 50 20 BBGD CCN(C)CCNCc1ccc(B(O)O)o1 585020814 KAGXTRCCTGUYGR-UHFFFAOYSA-N 226.085 -0.999 50 20 BBGD CCNC(=O)NNC(=O)C1(C(=O)NC)CCC1 729968038 FZBYRJBSAOFCPG-UHFFFAOYSA-N 242.279 -0.747 50 20 BBGD NC(=O)c1cc(C(=O)NNC(=O)C2CC2)co1 758998892 DBBKXUJJTYKUMZ-UHFFFAOYSA-N 237.215 -0.451 50 20 BBGD CC(C)[C@H](F)C(=O)NNC(=O)CN(C)C 784773678 OUVIITUJUYNPJB-QMMMGPOBSA-N 219.260 -0.311 50 20 BBGD CC(C)(O)C(=O)NNC(=O)COCC1CC1 787951197 PNJGTVOABBQGAX-UHFFFAOYSA-N 230.264 -0.669 50 20 BBGD COc1cnc(C(=O)NN(C)[C@@H](C)CO)nc1 823916950 BPWHHVSXLFHUCD-ZETCQYMHSA-N 240.263 -0.557 50 20 BBGD COC[C@@H](OC)C(=O)NNC(=O)C1CCC1 827216198 MZAHZIYBDGHPTO-MRVPVSSYSA-N 230.264 -0.405 50 20 BBGD C[C@@H]1CC(=NNC(=O)CN2CCCC2=O)CO1 842521900 QKRCQUZXMAZEKQ-MRVPVSSYSA-N 239.275 -0.110 50 20 BBGD COCC(=O)NN=Cc1cc(C(=O)O)cn1C 901198718 OLXNIWQVWFOBAB-UHFFFAOYSA-N 239.231 -0.180 50 20 BBGD C=CCn1cc(C(=O)NN(C)C[C@@H](C)O)nn1 910145913 FUKQDTGGQZYZTN-MRVPVSSYSA-N 239.279 -0.579 50 20 BBGD Cc1c(CC(=O)NN(C)C[C@H](C)O)cnn1C 910148811 XZGBWVBVGMPQFE-QMMMGPOBSA-N 240.307 -0.385 50 20 BBGD NNC(=O)Nc1ccnc(OCCO)c1 1118543074 VFIOQXUMQQEDPW-UHFFFAOYSA-N 212.209 -0.552 50 20 BBGD C[C@@H](O)CN(C)NC(=O)CCc1ncccn1 1332148592 NEXUWVXPSUTNSM-SECBINFHSA-N 238.291 -0.247 50 20 BBGD CCn1ncnc1C=NNC(=O)CCO 1332929469 YBEPZZUSFKBPOY-UHFFFAOYSA-N 211.225 -0.870 50 20 BBGD COC(=O)C(=O)NN=Cc1ccc([N+](=O)[O-])o1 1339878876 GPRMMYYWJKZXPY-UHFFFAOYSA-N 241.159 -0.189 50 20 BBGD O=C(C[C@H]1CC(=O)N1)NNC(=O)C1CCC1 1350684547 MYQLPNOIGQPRTI-SSDOTTSWSA-N 225.248 -0.788 50 20 BBGD COCCOCC(=O)NN=Cc1cncn1C 1352117719 YKUJYCAISMMLNA-UHFFFAOYSA-N 240.263 -0.467 50 20 BBGD CNC(=O)NNC(=O)CCNC(=O)C(C)(C)C 48949914 HXXXXQSSKWLUTN-UHFFFAOYSA-N 244.295 -0.501 50 20 BBGD O=C1NC(=O)[C@H]2CN(C(=O)CCl)CC[C@@H]12 409429367 RBAGFLDBLNVPRQ-RITPCOANSA-N 230.651 -0.654 50 20 BBGD COCCNCc1ccccc1B(O)O 585014727 ZOPTUNWMHMXUIH-UHFFFAOYSA-N 209.054 -0.898 50 20 BBGD Cc1cc(C)c(S(=O)(=O)NCB(O)O)s1 585059727 YIBMSQJWRGGXSV-UHFFFAOYSA-N 249.122 -0.345 50 20 BBGD CC(C)=NNC(=O)Cc1cc(O)nc(O)n1 743446400 WIKVOHDYHPMLDC-UHFFFAOYSA-N 224.220 -0.058 50 20 BBGD COc1cccc(C(=O)NN(C)C(N)=O)n1 778416564 CLENXQNMCKTKBF-UHFFFAOYSA-N 224.220 -0.255 50 20 BBGD CC(C)(O)C(=O)NNC(=O)N=c1cc[nH]cc1 802033596 FMSXEMGLQJMMBJ-UHFFFAOYSA-N 238.247 -0.573 50 20 BBGD O=C(NN=c1cc[nH]cc1)c1cc([N+](=O)[O-])n[nH]1 803078361 HWSFUVUADDYYGK-UHFFFAOYSA-N 248.202 -0.108 50 20 BBGD CCOCC(=O)NNC(=O)NC[C@H](CC)OC 812592387 PNRMGHCZCWRBIX-QMMMGPOBSA-N 247.295 -0.222 50 20 BBGD Cn1ncc(C=NNC(=O)c2cccnc2)n1 814687340 UWYNQFRUGMLJAJ-UHFFFAOYSA-N 230.231 -0.026 50 20 BBGD COC(OC)C(=O)NNc1ncncc1F 823125878 PPSJIKDBXOCORU-UHFFFAOYSA-N 230.199 -0.322 50 20 BBGD CN(C)C1(C(=O)NNC(=O)NCC2CC2)CC1 823804977 VQSDWLGZJQKHLB-UHFFFAOYSA-N 240.307 -0.179 50 20 BBGD CCCOCC(=O)NN(C)[C@H](C)CO 823964722 DVHPVKOGDJSZQV-MRVPVSSYSA-N 204.270 -0.243 50 20 BBGD C[C@@H](CO)N(C)NC(=O)Cc1ccncc1 823976978 LXRUHTDJBVNWTK-VIFPVBQESA-N 223.276 -0.032 50 20 BBGD CCNC(=O)NNC(=O)CCOCCOC 920857392 GBOLHZMFOWOTCS-UHFFFAOYSA-N 233.268 -0.610 50 20 BBGD CCOc1cc(C(=O)NN(C)C[C@@H](C)O)[nH]n1 1262177751 GJQPBAORVLUADT-SSDOTTSWSA-N 242.279 -0.234 50 20 BBGD CC(C)[C@H](NC=O)C(=O)NNc1ccn(C)n1 1329288442 QCERGUSSKCNVMA-VIFPVBQESA-N 239.279 -0.366 50 20 BBGD CNC(=S)N(C)NC(=O)c1cnc(O)n1C 1330580925 DZOMJVUFVZCOTQ-UHFFFAOYSA-N 243.292 -0.793 50 20 BBGD O=C(C[C@H]1CCC(=O)N1)NNc1ccncn1 1331205208 JADKQSXXYUBPRT-SSDOTTSWSA-N 235.247 -0.412 50 20 BBGD NC(=O)C(=O)NN=Cc1ccnn1CC1CC1 1333692358 LFFJDPMSVWSVCM-UHFFFAOYSA-N 235.247 -0.772 50 20 BBGD N#Cc1c[nH]c(C(=O)NNc2nc[nH]n2)c1 1343972513 ICUGPBAXBSPMLK-UHFFFAOYSA-N 217.192 -0.239 50 20 BBGD CCCCOCCNC(=O)NNC(=O)C(=O)O 1595771699 HERUZQJBMVHGOC-UHFFFAOYSA-N 247.251 -0.782 50 20 BBGD COC(=O)Cn1ccc(=NC(=O)[C@@H](F)Cl)[nH]1 2088605554 FADPFKNFXJVOEY-SSDOTTSWSA-N 249.629 -0.049 50 20 BBGD C=C[C@@](C)(O)CC(=O)NNC(=O)OC 496604191 LOSYUIPTGWFBRY-MRVPVSSYSA-N 202.210 -0.299 50 20 BBGD CCCNC(=O)NNC(=O)C(C)(C)NC(C)=O 726770421 VIKOKEXKIVPFNP-UHFFFAOYSA-N 244.295 -0.359 50 20 BBGD CN1CC[C@@H](C(=O)NNC(=O)c2ccccn2)C1 729509350 IVDHYPFXRKJNEX-SECBINFHSA-N 248.286 -0.206 50 20 BBGD CC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)nc1 735482972 XWSXPATWWCDFAV-UHFFFAOYSA-N 247.218 -0.957 50 20 BBGD CCNC(=O)NNC(=O)CCCN(C)C(=O)O 737124080 VDJKKOGGBJIETA-UHFFFAOYSA-N 246.267 -0.273 50 20 BBGD O=C(O)NCCCC(=O)NNc1cnccn1 739956795 LSLVMSWPBPZYFO-UHFFFAOYSA-N 239.235 -0.033 50 20 BBGD CCNC(=O)N(C)NC(=O)CC1OCCCO1 793786840 RAWKWMNMNDXYMZ-UHFFFAOYSA-N 245.279 -0.168 50 20 BBGD CCOC1CC(C(=O)NNC(=O)C(C)(C)O)C1 813530556 UYBKWNDFASVSEM-UHFFFAOYSA-N 244.291 -0.280 50 20 BBGD CCOC(=O)NNC(=O)[C@@H]1CC[C@H]1C(N)=O 816829636 YPISDTAPUGWXEV-PHDIDXHHSA-N 229.236 -0.725 50 20 BBGD Cn1cnc(C(=O)NNC(=O)CC2CC2)n1 819126885 YCKGHHSNVGETRZ-UHFFFAOYSA-N 223.236 -0.624 50 20 BBGD O=C(CN1CCOC1=O)NNc1cccnn1 821855925 FFUZMLDNADSXDS-UHFFFAOYSA-N 237.219 -0.628 50 20 BBGD CCC(F)(F)C(=O)NNC(=O)C(C)(C)O 832755070 ZSPOIEYENYKRQM-UHFFFAOYSA-N 224.207 -0.050 50 20 BBGD CC(C)C(=O)NNC(=O)CN1CC(C)(C#N)C1 846884241 ZYQCETADNKKHFO-UHFFFAOYSA-N 238.291 -0.365 50 20 BBGD O=S(=O)(CCCCl)NC[C@@H]1COCO1 882258185 WIAMJLQPWWVFNP-SSDOTTSWSA-N 243.712 -0.092 50 20 BBGD CC[C@H](O)[C@@H](C)C(=O)NN(C)C[C@@H](C)O 910141184 QHYZRXYHDKIVSU-HLTSFMKQSA-N 218.297 -0.263 50 20 BBGD CCC[C@H](O)C(=O)NNC(=O)c1cccn1C 929437598 XXLDYTPYNKPZQZ-VIFPVBQESA-N 239.275 -0.053 50 20 BBGD COCC#CC(=O)NNC(=O)c1c[nH]nc1C 1118582180 CFQJIYVFILDPMN-UHFFFAOYSA-N 236.231 -0.871 50 20 BBGD C[C@H](CO)N(C)NC(=O)c1cc(O)n(C)n1 1119047692 MEZTWAZDXTUKMR-ZCFIWIBFSA-N 228.252 -0.917 50 20 BBGD CN(NC(=O)CCc1ccon1)C(N)=O 1324348806 PBMNYOMOTHRNDU-UHFFFAOYSA-N 212.209 -0.351 50 20 BBGD CCNC(=O)N(C)NC(=O)c1nc[nH]n1 1325108901 SWPDWXHQOHTSRZ-UHFFFAOYSA-N 212.213 -0.889 50 20 BBGD O=C(CO)NNC(=O)c1cnn(C(F)F)c1 1330687925 GCYYYEGVJNNIHI-UHFFFAOYSA-N 234.162 -0.969 50 20 BBGD NC(=O)C(=O)NNC(=O)Cc1ccccc1F 1332352930 MKABVUUYUNKLPW-UHFFFAOYSA-N 239.206 -0.999 50 20 BBGD CO[C@H]1CCC[C@H]1C(=O)NNC(=O)CCCN 1578936110 AWOCBKBDAZPNSZ-BDAKNGLRSA-N 243.307 -0.312 50 20 BBGD CN(C)C(=O)CN(C)S(=O)(=O)CCl 82511876 LBPGREYVYYYFBY-UHFFFAOYSA-N 228.701 -0.468 50 20 BBGD C[C@H]1CC[C@@H](C(=O)NNC(=O)c2cn[nH]c2)O1 293940109 PAKHJEPGFVQDCT-XPUUQOCRSA-N 238.247 -0.262 50 20 BBGD CN(C)CC(=O)NNc1nncc(N)c1Cl 309262354 IJGFTAALLHBUDV-UHFFFAOYSA-N 244.686 -0.283 50 20 BBGD O=C(NNC(=O)[C@H]1C[C@H]1C(=O)O)c1ccoc1 739454051 OGQWUQWVLZHSEX-NKWVEPMBSA-N 238.199 -0.239 50 20 BBGD COC[C@@H](C)CC(=O)NNC(=O)CN(C)C 755775758 HRCDYLLWZBKDBO-QMMMGPOBSA-N 231.296 -0.632 50 20 BBGD CN(C)CC(=O)NNC(=O)[C@H]1CCSC1 762521862 BCBRFECUVXUTRE-ZETCQYMHSA-N 231.321 -0.552 50 20 BBGD CCn1nccc1C(=O)NNC(=O)OC 776101372 GJAYCNODJFPCLE-UHFFFAOYSA-N 212.209 -0.096 50 20 BBGD C[C@H]1C[C@@H](C)O[C@H]1C(=O)NNC(=O)C(C)(C)O 800546156 AYMOKMJOGFDONE-XLPZGREQSA-N 244.291 -0.282 50 20 BBGD CC(=O)N1CCCC[C@H]1C(=O)NN(C)C(N)=O 802961308 RBWBUUNUCNFNGR-QMMMGPOBSA-N 242.279 -0.571 50 20 BBGD CC(C)[C@@H](O)C(=O)NNC(=O)CC1CC1 819131970 SMGANVHUFKJXOV-SECBINFHSA-N 214.265 -0.049 50 20 BBGD CCN(CCO)NC(=O)c1c[nH]nc1C 823847640 ZCJRBFANFUSCEW-UHFFFAOYSA-N 212.253 -0.323 50 20 BBGD C[C@@H](CO)N(C)NC(=O)c1cnc(O)n1C 823912209 CCJYJECQIUQVEW-LURJTMIESA-N 228.252 -0.917 50 20 BBGD Cc1ccc(C(=O)NNC(=O)CNC(=O)O)o1 830225442 ORGIWUUFRANVTL-UHFFFAOYSA-N 241.203 -0.383 50 20 BBGD CC(C)(O)C(=O)NNC(=O)c1cc(O)cs1 832754579 MMKCEGFFPLGZBB-UHFFFAOYSA-N 244.272 -0.014 50 20 BBGD COCCN(C)NC(=O)c1[nH]c(O)nc1C 848055781 IEEZCZZJSYHABQ-UHFFFAOYSA-N 228.252 -0.353 50 20 BBGD C[C@H](CN)CNS(=O)(=O)CBr 850587109 PEVGURYKVDQXON-RXMQYKEDSA-N 245.142 -0.147 50 20 BBGD C=C[C@](C)(O)CC(=O)NNC(=O)c1cn[nH]c1 862469960 GKRDJYCXIYYYPC-JTQLQIEISA-N 238.247 -0.502 50 20 BBGD CCOCC(C)=NNC(=O)[C@@H]1CCC(=O)N1 863146280 VIASJAXUMONKPI-QMMMGPOBSA-N 227.264 -0.206 50 20 BBGD CC[C@@H](NC(C)=O)C(=O)NNC(=O)C1CCC1 865701340 LMNXQPQVHACSEQ-SECBINFHSA-N 241.291 -0.151 50 20 BBGD C[C@@H]1CCN1C(=O)NNC(=O)[C@@H]1CCC(=O)N1 883737914 MXFAKXKTDFZOOJ-RQJHMYQMSA-N 240.263 -0.900 50 20 BBGD CNC(=S)N(C)NC(=O)c1cnc(C)n1C 909992196 AYPKYLJVUPIKJA-UHFFFAOYSA-N 241.320 -0.191 50 20 BBGD Cn1nccc1C=NNC(=O)c1cnccn1 914559639 GKNOMKWCPNQYRB-UHFFFAOYSA-N 230.231 -0.026 50 20 BBGD COC(=O)COc1cccc(C(=O)NN)c1 917610450 PIAGIRMOVQVMOL-UHFFFAOYSA-N 224.216 -0.158 50 20 BBGD CN(NC(=O)[C@H]1CCc2c[nH]nc2C1)C(N)=O 1324777047 SYHXEQMJLNBPPD-LURJTMIESA-N 237.263 -0.444 50 20 BBGD Cn1nc(C(=O)NNc2ncccn2)cc1O 1329607693 NYIFCULPJSUVMP-UHFFFAOYSA-N 234.219 -0.327 50 20 BBGD O=C1CC[C@@H](CC(=O)NNc2ncccn2)CN1 1334789520 ZLMUNNGXPYJCNV-QMMMGPOBSA-N 249.274 -0.164 50 20 BBGD CN(C)C(=O)NNC(=O)c1cnn(CCF)c1 1343689861 VTPBPWBQAGDIQF-UHFFFAOYSA-N 243.242 -0.231 50 20 BBGD CN(C)C(=O)NNC(=O)CCc1cnc[nH]1 1344382564 ZMGBNWNSEJRDIT-UHFFFAOYSA-N 225.252 -0.355 50 20 BBGD CC(C)C(=O)NNC(=O)CCC(=O)O 49812332 ZOXCFXPSZUSZAH-UHFFFAOYSA-N 202.210 -0.345 50 20 BBGD CCCN(CCO)CC(=O)NNC(=O)C1CC1 112976924 BPVZCSKLUNIOMA-UHFFFAOYSA-N 243.307 -0.752 50 20 BBGD CC(C)(C)C(=O)N1CSC[C@H]1C(=O)NN 121220494 VGNRTZDNXWTYFI-LURJTMIESA-N 231.321 -0.076 50 20 BBGD CC(C)(O)C(=O)NNC(=O)c1ccc(C#N)[nH]1 277866657 CLADZWDYIDLCNR-UHFFFAOYSA-N 236.231 -0.582 50 20 BBGD CN(NC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)C(N)=O 377331576 UPVVEYVEEQJTLT-BIIVOSGPSA-N 227.264 -0.157 50 20 BBGD O=C(c1cccc(B(O)O)c1)N1CCCCN1 584988996 IAJNZTXUVIZIIA-UHFFFAOYSA-N 234.064 -0.893 50 20 BBGD C[C@@H](CN(C)C)NCc1cccc(B(O)O)c1 585040276 HXZYIJIJRWTDPX-JTQLQIEISA-N 236.124 -0.594 50 20 BBGD Cc1cc(C(=O)NCB(O)O)c2n[nH]cc2c1 585061918 MNAHVVAVWBEVEP-UHFFFAOYSA-N 233.036 -0.387 50 20 BBGD CCCNC(=O)NNC(=O)CCOC 727104131 WTXSLHCFWIOBIR-UHFFFAOYSA-N 203.242 -0.237 50 20 BBGD CCO[C@@H]1CCCC1=NNC(=O)C(N)=O 766432072 UCSSNEDWKCDVOB-SSDOTTSWSA-N 213.237 -0.467 50 20 BBGD COCc1cc(C=NNC(=O)CN(C)C)no1 794902402 PEWMTZGEPXQKFX-UHFFFAOYSA-N 240.263 -0.167 50 20 BBGD C[C@H]1CCCC[C@@H]1C(=O)NNC(=O)CO 819924430 FJXHNHHZGJKSLY-YUMQZZPRSA-N 214.265 -0.048 50 20 BBGD CCN(CCO)NC(=O)[C@@H]1CCCCN1C 823860462 SVDGOMVAGPQZIJ-JTQLQIEISA-N 229.324 -0.184 50 20 BBGD CCOC(=O)NCCC(=O)NN(C)[C@@H](C)CO 823971212 QPYVWSAEHJUUOB-QMMMGPOBSA-N 247.295 -0.534 50 20 BBGD Cc1nn(C)c(C)c1C(=O)NN(C)[C@H](C)CO 823983601 XTVAPVVBNAVLDP-SSDOTTSWSA-N 240.307 -0.006 50 20 BBGD O=C(CO)NNc1ccc(C(F)(F)F)nn1 857476855 WKVIZYPYDJXFLA-UHFFFAOYSA-N 236.153 -0.069 50 20 BBGD COC/C=C/C(=O)NNC(=O)Cc1cc[nH]n1 865197395 CKYBPFIYOSLJMK-NSCUHMNNSA-N 238.247 -0.698 50 20 BBGD COCC1(S(=O)(=O)NNC(C)=O)CC1 882659396 CODIEKLVJOGNCI-UHFFFAOYSA-N 222.266 -0.864 50 20 BBGD CCc1ncncc1C(=O)NN(C)C[C@H](C)O 910170475 MDEMROCJRSIXNX-QMMMGPOBSA-N 238.291 -0.004 50 20 BBGD Cn1cnc(/C=C/C(=O)NNC(=O)C2CC2)c1 929231196 DAFCWDRRYGPSPK-SNAWJCMRSA-N 234.259 -0.009 50 20 BBGD COc1ccnc(NNC(=O)c2[nH]nnc2C)n1 1321826384 ZYOBPQOJUKHBJP-UHFFFAOYSA-N 249.234 -0.331 50 20 BBGD CC(=O)NNC(=O)C[C@@H]1CCCOC1 1322405820 VIYBWBKMYOXDPO-QMMMGPOBSA-N 200.238 -0.030 50 20 BBGD NC(=O)[C@H]1CC[C@H]1C(=O)NNC(=O)C1CC1 1332860531 BXGMAKUWPOPXDP-NKWVEPMBSA-N 225.248 -0.945 50 20 BBGD C[C@@H](O)CN(C)NC(=O)C1(C(=O)O)CC=CC1 1589152646 QNNONYLLZHVIOX-MRVPVSSYSA-N 242.275 -0.249 50 20 BBGD Cc1cc(C=NNC(=O)CCO)[nH]c1C(=O)O 1600185023 CSJICJGIZJVSHL-UHFFFAOYSA-N 239.231 -0.146 50 20 BBGD COCCN(C)NC(=O)C1(C(=O)O)CCC1 1604583830 GNLCAIWWUWMIQW-UHFFFAOYSA-N 230.264 -0.149 50 20 BBGD COC(=O)c1cc(B(O)O)c2ocnc2c1 1857790860 AKFAETCLOXFYNB-UHFFFAOYSA-N 220.977 -0.706 50 20 BBGD C[C@@H](OCC1CC1)C(=O)NNC(=O)CN(C)C 113423444 VYWBXTTXRYBIQV-MRVPVSSYSA-N 243.307 -0.490 50 20 BBGD C[C@H](CO)NS(=O)(=O)CBr 127372721 JKOJOFAPPNWYEN-SCSAIBSYSA-N 232.099 -0.361 50 20 BBGD CNC(=O)NNC(=S)NC1CCC1 307084220 LFQKIBAFGWTTNS-UHFFFAOYSA-N 202.283 -0.153 50 20 BBGD COCCNCc1ccc(B(O)O)cc1 585014213 KUXIETJLYROJQH-UHFFFAOYSA-N 209.054 -0.898 50 20 BBGD CC(C)c1cc(C(=O)NCB(O)O)nn1C 585059836 CMFOBLCPBGEGMA-UHFFFAOYSA-N 225.057 -0.715 50 20 BBGD CCOCC(=O)NNC(=O)NCCCC(=O)O 737161033 CJZZSLOEAAVDPW-UHFFFAOYSA-N 247.251 -0.782 50 20 BBGD CO[C@H]1CCN(CC(=O)NNC(=O)C2CC2)C1 752320279 JAJAKRQXJQDDNQ-VIFPVBQESA-N 241.291 -0.736 50 20 BBGD O=C(NNC(=O)C1CC1)c1cnc2[nH]nnc2c1 771499526 ALARKBNKFKIICF-UHFFFAOYSA-N 246.230 -0.476 50 20 BBGD CCC[C@H](O)CC(=O)NN(C)C(N)=O 778412253 OFZNCKXDOSMEQA-LURJTMIESA-N 203.242 -0.421 50 20 BBGD O=C(CO)NNC(=O)Nc1cncc(F)c1 799235454 GCGJIQHLVVRTDK-UHFFFAOYSA-N 228.183 -0.634 50 20 BBGD CCC1=C(C(=O)NNC(=O)CO)CCCO1 807196597 YDIIRIHTVSKHBB-UHFFFAOYSA-N 228.248 -0.399 50 20 BBGD C=CCCOCC(=O)NN(CC)CCO 823852482 IHBKUQJTZPQJNO-UHFFFAOYSA-N 216.281 -0.076 50 20 BBGD C[C@H](CO)N(C)NC(=O)CC1OCCO1 823935917 YEGRRSPCPVYRTO-SSDOTTSWSA-N 218.253 -0.907 50 20 BBGD CCNC(=O)NNC(=O)[C@H](C)CC(=O)O 829799163 FJDJIJDEOVMXJH-RXMQYKEDSA-N 217.225 -0.553 50 20 BBGD C[C@H](C#N)C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 843974670 CRLCKTSBLMTERD-BWZBUEFSSA-N 225.248 -0.282 50 20 BBGD CCC1CCN(S(=O)(=O)NNC(C)=O)CC1 849305209 MAYMICLPQWMAPL-UHFFFAOYSA-N 249.336 -0.006 50 20 BBGD COC(=O)N(C)NC(=O)C[C@H]1CCC(=O)N1C 854410090 SNMQSZAMYNWVDB-SSDOTTSWSA-N 243.263 -0.273 50 20 BBGD CCC[C@@H](C)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862455835 RNHFQCDEEXVBCD-SFYZADRCSA-N 241.291 -0.151 50 20 BBGD C[C@@H]1COC[C@H]1NCc1cccc(B(O)O)c1 896733439 PMMRYGQEPLIEOZ-BXKDBHETSA-N 235.092 -0.509 50 20 BBGD CN(NC(=O)c1cn(C)c(=O)n1C)C1CC1 911296189 NRZWDEMHNWCWQD-UHFFFAOYSA-N 224.264 -0.537 50 20 BBGD CCC(=O)N[C@@H](C)C(=O)NNC(=O)C(C)C 915261813 YZYNMHRXEXDTJV-ZETCQYMHSA-N 229.280 -0.296 50 20 BBGD O=C(NNC(=O)C(=O)N1CCCC1)NC1CC1 1320950564 BOMKLHXPIKEUPX-UHFFFAOYSA-N 240.263 -0.898 50 20 BBGD NNC(=O)c1cnn([C@@H]2CCCNC2)c1 1325999892 ROUHKLOZBIOTKE-MRVPVSSYSA-N 209.253 -0.589 50 20 BBGD CCNC(=O)N(C)NC(=O)C1CCNCC1 1326037881 LWKXNPKMDVKBJD-UHFFFAOYSA-N 228.296 -0.322 50 20 BBGD CC(C)NC(=S)NNC(=O)CCC(N)=O 1333217823 FNDWIAROGKTMDG-UHFFFAOYSA-N 232.309 -0.844 50 20 BBGD COCCCC(=O)NNC(=O)C1CCOCC1 1336935992 QUWVKDJSNQLWDO-UHFFFAOYSA-N 244.291 -0.013 50 20 BBGD CCn1nc(C)c(C(=O)NNC(=O)NC)n1 1347647250 LSKCKSBQCAKUDS-UHFFFAOYSA-N 226.240 -0.820 50 20 BBGD C=C(Cl)C[C@H](N)C(=O)NN(C)[C@H](C)CO 1574067184 LWTBPSILFGZERO-SFYZADRCSA-N 235.715 -0.200 50 20 BBGD CC[C@@](C)(N)C(=O)NNC(=O)c1ccncc1 1574073442 FQLRYQAOHOVGFT-LLVKDONJSA-N 236.275 -0.030 50 20 BBGD CNNC(=O)c1cc(S(N)(=O)=O)oc1C 1578745358 VWFNFUGYFCGPTB-UHFFFAOYSA-N 233.249 -0.900 50 20 BBGD C[C@H](CC(=O)O)C(=O)NNC(=O)C(C)(C)O 1604095716 ZQWSZXRYPFVVHH-RXMQYKEDSA-N 232.236 -0.985 50 20 BBGD COC(=O)N(C)NC(=O)c1cc(C(=O)O)on1 1610187691 OKCUKLHUUOHHOG-UHFFFAOYSA-N 243.175 -0.284 50 20 BBGD CCNC(=O)NNC(=O)c1cnn2cccnc12 49165223 ZGRMIHMWLZVKHW-UHFFFAOYSA-N 248.246 -0.307 50 20 BBGD CC(=O)N[C@@H](CC(C)C)C(=O)NN(C)C(N)=O 273002215 ZNULVFNPLCIUCH-QMMMGPOBSA-N 244.295 -0.421 50 20 BBGD COC(=O)NNS(=O)(=O)N(C)CC1CC1 491406699 RFCNIARUSDAQJC-UHFFFAOYSA-N 237.281 -0.566 50 20 BBGD CCCN(C)C(=O)c1ccc(B(O)O)c(F)c1 584936131 FSKQVJDQUARYQR-UHFFFAOYSA-N 239.055 -0.013 50 20 BBGD OC/C=C/CNCc1ccc(B(O)O)cc1 585046949 DTMYXBMFOIETPV-OWOJBTEDSA-N 221.065 -0.996 50 20 BBGD CC(=O)NNC(=O)c1c(C)nn2cccnc12 726620893 LBRYYRBFCMVLEP-UHFFFAOYSA-N 233.231 -0.181 50 20 BBGD O=C(NN=Cc1ncc[nH]1)C(=O)N1CCCC1 731153382 JENVRIYEIYNXPN-UHFFFAOYSA-N 235.247 -0.518 50 20 BBGD CC(C)C(=O)NNC(=O)N[C@@H]1CCOC1 752257144 SUZOMYBJGWCPGA-SSDOTTSWSA-N 215.253 -0.238 50 20 BBGD CCn1nccc1C=NNC(=O)CN(C)C 753697355 LBRKLCOVFFCVOF-UHFFFAOYSA-N 223.280 -0.085 50 20 BBGD CCCn1nccc1C(=O)NNC(=O)NC 823425140 MVPCRWUBCMBZHH-UHFFFAOYSA-N 225.252 -0.133 50 20 BBGD C[C@@H](CO)N(C)NC(=O)[C@@]1(O)CCSC1 823939367 JUIOPXMNDZNSBZ-IONNQARKSA-N 234.321 -0.802 50 20 BBGD C[C@H]1OCC[C@H]1C(=O)NN=Cc1cnnn1C 842556158 RVNGMDQFLUJBBF-VXNVDRBHSA-N 237.263 -0.310 50 20 BBGD C[C@H](CNC(=O)NNc1ncccn1)C(=O)O 848585861 DZSBTNCIMMOYQX-ZCFIWIBFSA-N 239.235 -0.177 50 20 BBGD CC(C)OCCC(=O)NNC(=O)c1cc[nH]n1 855359059 DNNIADRSAVRTII-UHFFFAOYSA-N 240.263 -0.014 50 20 BBGD C#CCOCCOc1ccc(B(O)O)cc1 863866085 IAQDXTVHQUJDNS-UHFFFAOYSA-N 220.033 -0.605 50 20 BBGD C#CC(C)(C)NC(=O)c1cccc(B(O)O)c1 863872417 GYSVKXQTDQXEIG-UHFFFAOYSA-N 231.060 -0.492 50 20 BBGD C#CC(C)(C)NC(=O)c1cc(B(O)O)ccc1F 863873146 YFVNRYCQGSVRRM-UHFFFAOYSA-N 249.050 -0.353 50 20 BBGD CN(C)CC(=O)NNC(=O)Nc1ncccn1 888692503 BVWLGUISBHZUBV-UHFFFAOYSA-N 238.251 -0.809 50 20 BBGD CC1=NO[C@@H](CNCc2ccc(B(O)O)cc2)C1 895301846 LWJGFPDTLSDMTN-GFCCVEGCSA-N 248.091 -0.379 50 20 BBGD CC(=O)NNC(=O)CN1CSCCSC1 899925848 BQUCRVSVFQZHHG-UHFFFAOYSA-N 249.361 -0.149 50 20 BBGD COC(=O)CC(=O)NNC(=O)[C@H]1CCO[C@H]1C 911502971 OQWPJDGSJMGMSG-BQBZGAKWSA-N 244.247 -0.878 50 20 BBGD CCOC(=O)NNC(=O)CO[C@H]1CCOC1 1252537819 NTBBMPQRUZLLPX-ZETCQYMHSA-N 232.236 -0.431 50 20 BBGD CN(NC(=O)[C@H]1CCC(=O)NC1)C1CC1 1326146388 JOKSOWVDFRYEMT-ZETCQYMHSA-N 211.265 -0.362 50 20 BBGD CCC(=O)NNS(=O)(=O)c1c(N)noc1C 1327224192 YGYIZZJEZGRYDE-UHFFFAOYSA-N 248.264 -0.715 50 20 BBGD C[C@H]1CC[C@@H](NC(=O)NNC(=O)C(=O)O)C1 1594312599 CTKGZYAFMHDLGG-NTSWFWBYSA-N 229.236 -0.410 50 20 BBGD O=C(NNC(=O)[C@]1(C(=O)O)CCCO1)C1CC1 1605814594 JBEJHBSWQWUJAK-JTQLQIEISA-N 242.231 -0.822 50 20 BBGD Cn1cnc(C(=O)NNC(=O)c2ccc[nH]2)c1 179355070 LCVJBJHSJYQCSV-UHFFFAOYSA-N 233.231 -0.177 50 20 BBGD CO[C@H]1CN(C(=O)CCCl)C[C@H]1O 409430746 IXSNECFDGFZWOM-RQJHMYQMSA-N 207.657 -0.167 50 20 BBGD O=C(c1cccc(B(O)O)c1)N1CC(CF)C1 585002254 REBJERLTGLXOOZ-UHFFFAOYSA-N 237.039 -0.592 50 20 BBGD OCC[C@H](NCc1ccc(B(O)O)o1)C1CC1 585025532 WMNFSAAUUJWSQP-JTQLQIEISA-N 239.080 -0.790 50 20 BBGD Cc1ncc(CO)c(C=NNC(=O)CO)c1O 776780255 GVDSXTUGDROXLE-UHFFFAOYSA-N 239.231 -0.970 50 20 BBGD CC[C@@H](CO)C(=O)NNC(=O)c1cnn(C)c1 779787064 SWXFDFMHRYIAME-ZETCQYMHSA-N 240.263 -0.800 50 20 BBGD CCCCNC(=O)NNC(=O)c1cnn(C)n1 785956869 XXACHEUIPIDZGN-UHFFFAOYSA-N 240.267 -0.441 50 20 BBGD C[C@@H](O)C(=O)NNC(=O)c1cccc(C#N)c1 786898909 GRULKMJFXSWAMI-SSDOTTSWSA-N 233.227 -0.300 50 20 BBGD C[C@@H](O)C(=O)NNc1ccc(-n2ccnc2)nn1 804958158 LXLNAABLHQBBGU-SSDOTTSWSA-N 248.246 -0.514 50 20 BBGD Cc1cc(NNC(=O)[C@H]2CCC(=O)N2C)ncn1 806863825 STSZEWOLFINCOA-MRVPVSSYSA-N 249.274 -0.151 50 20 BBGD COCCOCC(=O)NNc1ncncc1F 817071609 XBVRYHJWNDFSRZ-UHFFFAOYSA-N 244.226 -0.278 50 20 BBGD CN1C(=O)CC[C@@H]1CC(=O)NNc1ncccn1 820935024 MOEQIHZZMDIDGQ-MRVPVSSYSA-N 249.274 -0.069 50 20 BBGD C[C@H](CO)N(C)NC(=O)c1cnc2[nH]cnc2c1 823939113 FUOZFKZETIAMNM-SSDOTTSWSA-N 249.274 -0.085 50 20 BBGD N#CC[C@]1(O)CCN(S(=O)(=O)CCl)C1 828045053 HUJMBNJTNOJQDN-ZETCQYMHSA-N 238.696 -0.137 50 20 BBGD O=C1CC[C@@H](C(=O)NNC(=O)C2CC2)C1 843752782 YRSYYPMDRFVQMB-SSDOTTSWSA-N 210.233 -0.087 50 20 BBGD CCNC(=O)NNC(=O)Cc1ccn(CC)n1 845300517 UTHNUOKHYALTEZ-UHFFFAOYSA-N 239.279 -0.204 50 20 BBGD COC/C=C/C(=O)NN(C)CCOC 868242084 XXFRGXHPWOJPSD-SNAWJCMRSA-N 202.254 -0.202 50 20 BBGD COC(=O)NNC(=O)[C@H](C)n1cncn1 1116604958 ZDUAWGGSBFPYSQ-YFKPBYRVSA-N 213.197 -0.774 50 20 BBGD CN(C)S(=O)(=O)/C(C#N)=C\c1ncnn1C 1120077744 BRWCVTHMKCUHTR-DAXSKMNVSA-N 241.276 -0.429 50 20 BBGD CCCCNC(=S)NNC(=O)C(=O)OC 1318967983 HLLWVMXMLNKGDM-UHFFFAOYSA-N 233.293 -0.545 50 20 BBGD CNC(=O)NNC(=O)C1CC(F)(F)C1 1319031950 ZYPWSLBNXYSOQR-UHFFFAOYSA-N 207.180 -0.008 50 20 BBGD C=CCNC(=S)NNC(=O)c1cncn1C 1330104266 MRYGFCMEYZJCHQ-UHFFFAOYSA-N 239.304 -0.285 50 20 BBGD C[C@@H](CO)N(C)NC(=O)[C@H]1CC[C@H]1C(=O)O 1592761508 CVBUPSBETFYSNP-BIIVOSGPSA-N 230.264 -0.559 50 20 BBGD CC[C@H](C(=O)O)C(=O)NN(C)C(=O)OC 1594755778 RPPAJWDCXVHINZ-YFKPBYRVSA-N 218.209 -0.173 50 20 BBGD O=C(NC[C@@]12CCC[C@@H]1C2)NNC(=O)C(=O)O 1601521065 TUDUYCCIYQOUKT-LDWIPMOCSA-N 241.247 -0.408 50 20 BBGD Cn1cc2c(n1)CCCC2=NNC(=O)C(=O)O 1610607071 FNBFNVRZAHBGIE-UHFFFAOYSA-N 236.231 -0.339 50 20 BBGD CCO/C=C(\C#N)C(=O)N[C@@H](CCO)COC 270283591 YNNUNVULMSDBAS-PCYYEKQGSA-N 242.275 -0.056 50 20 BBGD OB(O)c1ccccc1CNC1CCOCC1 585016818 AGEXBGAPKUYVSU-UHFFFAOYSA-N 235.092 -0.365 50 20 BBGD O=C(NN=C1CCOC1)c1cnccn1 731926132 NJQGZJUUAVLLPI-UHFFFAOYSA-N 206.205 -0.017 50 20 BBGD Cn1ccc(C(=O)NNC(=O)C2CCC2)cc1=O 732143020 OTHQMRDGOJEQBJ-UHFFFAOYSA-N 249.270 -0.054 50 20 BBGD O=C(CN1CCCOCC1)NNC(=O)C1CC1 733194593 BZXCMIVNLSHNGI-UHFFFAOYSA-N 241.291 -0.734 50 20 BBGD CC(C)NC(=O)NNC(=O)[C@H](C)N(C)C 750611130 XMWNCLIFJCSNFF-ZETCQYMHSA-N 216.285 -0.325 50 20 BBGD CCn1nccc1NC(=O)NNC(=O)COC 757903023 MCXQIOBSOWEMEH-UHFFFAOYSA-N 241.251 -0.298 50 20 BBGD CN1CC[C@H](C(=O)NNc2ncccn2)C1=O 772063579 GDAQILZQJVQIRB-SSDOTTSWSA-N 235.247 -0.602 50 20 BBGD CCO[C@H](CC)C(=O)NN(C)C(N)=O 778412338 UTBMVFSUQIKJQJ-ZCFIWIBFSA-N 203.242 -0.157 50 20 BBGD C=CCNC(=S)NNC(=O)COC(F)F 794609602 USVNXGSSTSFBPZ-UHFFFAOYSA-N 239.247 -0.093 50 20 BBGD C[C@H](O)CN(C)NC(=O)[C@H]1C[C@@H](O)C1 821217838 PUQNDRYWVLPSDX-BIIVOSGPSA-N 202.254 -0.899 50 20 BBGD O=C(NNC(=O)[C@@H]1CCNC1=O)C1CCCC1 821750792 QLNYTIBCWGEPLK-MRVPVSSYSA-N 239.275 -0.540 50 20 BBGD CC(C)[C@H](O)C(=O)NN(C)[C@@H](C)CO 823923762 UZCYCKHAJHKDBF-YUMQZZPRSA-N 204.270 -0.653 50 20 BBGD CCc1cc(C(=O)NN(C)[C@H](C)CO)n[nH]1 823977413 WJQOYSJCYAQSFT-SSDOTTSWSA-N 226.280 -0.071 50 20 BBGD C[C@H]1NCC[C@@H]1C(=O)NNc1ncccn1 826726424 QNVJGUKLZKGUDN-SFYZADRCSA-N 221.264 -0.082 50 20 BBGD CS(=O)(=O)C1(CNC(=O)NN)CCCCC1 851674523 FTTCJSNECJPOIX-UHFFFAOYSA-N 249.336 -0.093 50 20 BBGD CC(=O)CCCC(=O)NNC(=O)c1cc[nH]n1 855362809 VLSKLEVPIFKQEN-UHFFFAOYSA-N 238.247 -0.070 50 20 BBGD CC(=O)N1CC[C@@H](NS(=O)(=O)CCl)C1 856758232 CLOJNEBYHKDPSP-SSDOTTSWSA-N 240.712 -0.277 50 20 BBGD CC(C)[C@H](NC=O)C(=O)NN=c1cc[nH]cc1 860675539 OYYLURBVNHDWHE-JTQLQIEISA-N 236.275 -0.283 50 20 BBGD O=C(NNC(=O)C1CC1)c1cc2ncccn2n1 864443875 MPJGZYLEJZURBE-UHFFFAOYSA-N 245.242 -0.100 50 20 BBGD COC(OC)C(=O)NNC(=O)NC1CCCC1 874245544 XNYXCYSPBFFXDN-UHFFFAOYSA-N 245.279 -0.122 50 20 BBGD CCNC(=O)NNC(=O)[C@@H](C)[C@@H](O)CC 900386530 ZKQSADZPHMZFPF-BQBZGAKWSA-N 217.269 -0.256 50 20 BBGD CN(NC(=O)c1ncccc1N(C)C)C(N)=O 901279942 TWAYQXLEMTZSCI-UHFFFAOYSA-N 237.263 -0.197 50 20 BBGD CCc1cc(C(=O)NN(C)C[C@@H](C)O)n(C)n1 910181669 DHGOUWXJKVBAPA-MRVPVSSYSA-N 240.307 -0.060 50 20 BBGD Cc1cc(NNC(=O)c2ncn(C)n2)ncn1 1117635773 JURJPBQISDTILL-UHFFFAOYSA-N 233.235 -0.330 50 20 BBGD CN(NC(=O)[C@@H]1CCNC(=O)C1)C1CC1 1118096354 NJXLNRUFGBVMPD-SSDOTTSWSA-N 211.265 -0.362 50 20 BBGD C=CC[C@H](NCc1ccc(B(O)O)cc1)C(=O)O 1119536441 LYDFJGUQIIPKOZ-NSHDSACASA-N 249.075 -0.515 50 20 BBGD CN(C)CC(=O)NNC(=O)C1CCOCC1 1251833682 CXFUSRBHXRLTLL-UHFFFAOYSA-N 229.280 -0.878 50 20 BBGD C[C@@H]1OCC[C@H]1C(=O)NNC=C(C#N)C#N 1327072742 SWNREXHIIFJBAC-IONNQARKSA-N 220.232 -0.037 50 20 BBGD Cc1ncc(C=NNC(=O)CCO)n1C 1328011462 ZFUYTBDIFUWANX-UHFFFAOYSA-N 210.237 -0.439 50 20 BBGD CN(NC(=O)[C@@H]1CC(C(=O)O)=NO1)C1CC1 1593766693 WVLITEWJUPCCDZ-ZETCQYMHSA-N 227.220 -0.659 50 20 BBGD CC[C@H](C(=O)O)C(=O)NNC(=O)N(C)C 1594755700 PNFOUFYJYFUCMI-YFKPBYRVSA-N 217.225 -0.600 50 20 BBGD CCCCCNC(=O)NNC(=O)C(=O)O 1595721055 FFQWTHYETOIIRM-UHFFFAOYSA-N 217.225 -0.408 50 20 BBGD O=C(O)CNC(=O)NN=Cc1ccc(CO)o1 1608754525 LALSONUNPVNCCL-UHFFFAOYSA-N 241.203 -0.510 50 20 BBGD CC(C)C(=O)NNC(=O)c1cnn(C)c1 20915628 XNTNGDXIYKAPPB-UHFFFAOYSA-N 210.237 -0.163 50 20 BBGD CNC(=O)NNC(=O)COc1ccccc1C#N 53919570 JCQJNKOJFHLMLH-UHFFFAOYSA-N 248.242 -0.103 50 20 BBGD COC(=O)N[C@@H](CC(C)C)C(=O)NN 118364347 JFJUGKUKZAFYKW-LURJTMIESA-N 203.242 -0.253 50 20 BBGD CCOC(=O)/C(C#N)=C/N[C@H]1CCN(C)C1=O 172559007 JPZCDCUXFBITNF-FLOXNTQESA-N 237.259 -0.223 50 20 BBGD COCCC1(C(=O)NN(C)C(N)=O)CC1 182653074 AHMZSKLLPABTGQ-UHFFFAOYSA-N 215.253 -0.155 50 20 BBGD CN1C(=O)c2ccc(C(=O)NN)cc2C1=O 301818091 HUEBUZDBZSQIOP-UHFFFAOYSA-N 219.200 -0.484 50 20 BBGD COC(=O)NNC(=O)C[C@@H]1CCCC(=O)N1 496191482 XZMBUJGDHXOUGK-LURJTMIESA-N 229.236 -0.568 50 20 BBGD CC#CCCNCc1cccc(B(O)O)c1 585033468 GRYFAYUQRQAKKA-UHFFFAOYSA-N 217.077 -0.131 50 20 BBGD CC[C@H](C(=O)N1CC[C@H](B(O)O)C1)N(C)C 585065651 FAOKKCUMWSGQRF-DTWKUNHWSA-N 228.101 -0.598 50 20 BBGD O=C(CC1CC1)NNC(=O)CN1CCOCC1 819123218 UOMYIUAAYCKXHU-UHFFFAOYSA-N 241.291 -0.734 50 20 BBGD CC[C@](C)(O)C(=O)NN(C)C[C@H](C)O 822559155 ZZUDDWCMLLHGSL-CBAPKCEASA-N 204.270 -0.509 50 20 BBGD CCOC(=O)C(C)(C)C(=O)NN(C)[C@H](C)CO 823939578 MDYBTOPRQDCTBP-MRVPVSSYSA-N 246.307 -0.081 50 20 BBGD C[C@H](CNC(=O)NNC(=O)C1CCC1)C(=O)O 848584961 DKNISMPVSUWQRQ-ZCFIWIBFSA-N 243.263 -0.162 50 20 BBGD C[C@@H](CN)N(C)S(=O)(=O)CBr 850583015 XOLYDNHQCKEISZ-YFKPBYRVSA-N 245.142 -0.052 50 20 BBGD NNC(=O)NC[C@@H]1Cc2ccccc2CN1 892789196 LUKSMLCKNUFGGM-JTQLQIEISA-N 220.276 -0.126 50 20 BBGD C[C@H](O)CN(C)NC(=O)c1csc(CO)n1 910149176 HSRPMXKCQGLNDN-LURJTMIESA-N 245.304 -0.407 50 20 BBGD CO[C@]1(C(=O)NN(C)[C@@H](C)CO)CCSC1 911445462 VVJYXWWWIBZPGH-WCBMZHEXSA-N 248.348 -0.148 50 20 BBGD C[C@@H](O)C(=O)NNC(=O)Cc1cccnc1 1136708766 LCCFCCHZINHKAG-SSDOTTSWSA-N 223.232 -0.848 50 20 BBGD CCNC(=O)NNC(=O)CCc1nc(C)no1 1318090287 YLPHJOFHFZSEHG-UHFFFAOYSA-N 241.251 -0.339 50 20 BBGD CC(=O)NNC(=O)Cc1nnn(C(C)(C)C)n1 1327719152 QBKSBMKGYXSQCA-UHFFFAOYSA-N 240.267 -0.862 50 20 BBGD NNC(=O)c1ccc(OCC(N)=O)cc1 5768228 LPIUIWDOEZVZFN-UHFFFAOYSA-N 209.205 -0.846 50 20 BBGD CCCCNC(=O)NNC(=O)C(=O)NC1CC1 48644871 KDBSRDLJPNUKLO-UHFFFAOYSA-N 242.279 -0.605 50 20 BBGD CC(C)CN(CC(N)=O)S(=O)(=O)CCl 82512587 DYNVQJVSYJMMJI-UHFFFAOYSA-N 242.728 -0.044 50 20 BBGD O=C(CN1CCC[C@H]1CO)NNC(=O)C1CC1 118401198 IDKPRBIPTFMVQA-VIFPVBQESA-N 241.291 -1.000 50 20 BBGD C[C@@H]1C[C@@H]1C(=O)NNC(=O)c1cnn(C)c1 170969123 KXAYNHQICYFLLL-SVRRBLITSA-N 222.248 -0.163 50 20 BBGD NC(=O)NN=C1CCCS(=O)(=O)C1 252459673 RBQZUSODBAGKHX-UHFFFAOYSA-N 205.239 -0.781 50 20 BBGD CN1C[C@@H](C(=O)NNc2cccnn2)CC1=O 265494811 ABCGABCCETVHMS-ZETCQYMHSA-N 235.247 -0.602 50 20 BBGD O=C(O)CC(=O)NNC(=O)C1CCC1 389271387 LVUSWZBXELCQPY-UHFFFAOYSA-N 200.194 -0.591 50 20 BBGD CCn1cc(S(=O)(=O)NNC(=O)OC)cn1 491076595 OVQZXKMWCQDWSF-UHFFFAOYSA-N 248.264 -0.548 50 20 BBGD COCCN(C)NC(=O)CCCNC(=O)OC 495679330 IRTGUMGZSKGUOF-UHFFFAOYSA-N 247.295 -0.268 50 20 BBGD C[C@H]1CN(C)C[C@@H]1NCc1ccc(B(O)O)cc1 585031500 WGUZSURKDIIEAD-GWCFXTLKSA-N 248.135 -0.594 50 20 BBGD O=C(CCc1ccc(F)cc1)NCB(O)O 585058212 VSEXDAKYFHVRFJ-UHFFFAOYSA-N 225.028 -0.114 50 20 BBGD CCN(CC)C(=O)N1CC[C@H](B(O)O)C1 585058995 WPPMXUYSNVPERB-QMMMGPOBSA-N 214.074 -0.003 50 20 BBGD CCN1CCOC[C@H]1C(=O)NNC(=O)C1CC1 767162179 WEZJAHLQIHTWDW-VIFPVBQESA-N 241.291 -0.736 50 20 BBGD C[C@H]1C[C@@H]1C(=O)NNC(=O)C(C)(C)O 768254739 CKQYSIXQUIMHSH-WDSKDSINSA-N 200.238 -0.439 50 20 BBGD Cc1cc(C(=O)NN=Cc2cnc(N)nc2)n[nH]1 781594247 DHFKTPFTECUJNK-UHFFFAOYSA-N 245.246 -0.146 50 20 BBGD C=CCNC(=S)NNC(=O)[C@H](CC)CO 798305426 OMTGLPXNGMMXEB-SSDOTTSWSA-N 231.321 -0.314 50 20 BBGD COC(=O)CNC(=O)NN=C1CC(C(=O)O)C1 814900612 AKXDACBEKPZJBP-UHFFFAOYSA-N 243.219 -0.691 50 20 BBGD CCN(CC(=O)NNc1cnnn1C)C1CC1 816772359 WSWBTLRAPTTZIB-UHFFFAOYSA-N 238.295 -0.258 50 20 BBGD CCOCCC(=O)NNC(=O)[C@@H]1CCO[C@H]1C 843652363 SFCPBOVHINNPBR-DTWKUNHWSA-N 244.291 -0.015 50 20 BBGD C=C[C@@H](O)C(=O)NNC(=O)[C@H]1CCCCO1 854682397 AEMCODCSCSJTQD-HTQZYQBOSA-N 228.248 -0.750 50 20 BBGD COC(=O)NCC(=O)NNc1ccncn1 857520724 KMADMNBWEXQEGV-UHFFFAOYSA-N 225.208 -0.724 50 20 BBGD CC(=NNC(=O)[C@@H]1CCC(=O)N1)c1cc[nH]n1 863149757 FAMFKCIPBGYPKS-QMMMGPOBSA-N 235.247 -0.472 50 20 BBGD C[C@@H](O)CN(C)NC(=O)[C@@H]1CC1(F)F 910145413 SICJARCBRMNDMT-RITPCOANSA-N 208.208 -0.015 50 20 BBGD CC(=O)NCC(=O)NNC(=O)C(C)(C)C 920452040 MLDOSPTXUJHRHP-UHFFFAOYSA-N 215.253 -0.684 50 20 BBGD CNC(=O)NNC(=O)c1ncccc1O 1116693716 WIKPPLPIXPRRNE-UHFFFAOYSA-N 210.193 -0.639 50 20 BBGD CC(C[C@H]1CCC(=O)N1)=NNC(=O)CCO 1117646322 BSOHPJOIGNXZDJ-MRVPVSSYSA-N 227.264 -0.470 50 20 BBGD CCONC(=O)NNC(=O)c1ccc[nH]1 1320731648 SBEVZOWXTSTYQX-UHFFFAOYSA-N 212.209 -0.090 50 20 BBGD CNC(=O)NNC(=O)c1cccnc1F 1326058303 NLLQCFAPMILGBY-UHFFFAOYSA-N 212.184 -0.206 50 20 BBGD Cc1ncncc1C(=O)NN(C)[C@H](C)CO 1329862324 MCPYXWMHQORYMP-SSDOTTSWSA-N 224.264 -0.258 50 20 BBGD C#CC(=O)NNC(=O)Cn1nc(C)cc1C 1334097170 NATVLJDHSSCKGX-UHFFFAOYSA-N 220.232 -0.719 50 20 BBGD O=C(NNC(=O)C1CC1)c1cnn2ccncc12 1343527520 WREYYIXLNOLBHU-UHFFFAOYSA-N 245.242 -0.100 50 20 BBGD CC[C@H](C(=O)O)C(=O)NNC(=O)c1ccc[nH]1 1604878570 QMQOUJGLQPTTKM-LURJTMIESA-N 239.231 -0.114 50 20 BBGD Cn1nc(C(=O)O)cc1C=NNC(N)=O 1776032997 NLRHRRIZYJJONY-UHFFFAOYSA-N 211.181 -0.880 50 20 BBGD Cn1cccc1C(=O)NNC(=O)C(C)(C)O 277135193 OXUFTGCSJHMBFF-UHFFFAOYSA-N 225.248 -0.443 50 20 BBGD CCC(=O)N1CCCC[C@H]1C(=O)NNC(C)=O 299207043 CSSOAAAHJQPQHR-VIFPVBQESA-N 241.291 -0.055 50 20 BBGD CCN(C)CCNCc1ccccc1B(O)O 585020905 LRBHULSGUVYDOW-UHFFFAOYSA-N 236.124 -0.592 50 20 BBGD OB(O)c1ccc(CN[C@@H]2CCC[C@@H](O)C2)o1 585033141 YOQAKBXNSLIVHC-RKDXNWHRSA-N 239.080 -0.648 50 20 BBGD Cn1nccc1CN1CC[C@@H](B(O)O)C1 585076381 LXAFMKMKSGKDGI-MRVPVSSYSA-N 209.058 -0.531 50 20 BBGD CN(C)C(=O)NNC(=O)C[C@@](C)(O)C1CC1 755775714 SXKXGRRTIXCAHH-SNVBAGLBSA-N 229.280 -0.160 50 20 BBGD COC(=O)c1coc(C(C)=NNC(=O)CO)c1 766455958 VTPCAVVPWAVMQC-UHFFFAOYSA-N 240.215 -0.101 50 20 BBGD CCC(=O)NNC(=O)Nc1ccnn1C 775753694 VPEVKHFKPWHVAS-UHFFFAOYSA-N 211.225 -0.017 50 20 BBGD CO[C@@H](C)CNC(=O)NNC(=O)c1ccc[nH]1 821468979 FXZVOKVJDXUHOV-ZETCQYMHSA-N 240.263 -0.006 50 20 BBGD Cc1n[nH]cc1C(=O)NNC(=O)[C@H](O)C1CC1 826755148 SGZHHTMNHBQZRN-MRVPVSSYSA-N 238.247 -0.750 50 20 BBGD CC(C)OCC(=O)NNC(=O)c1cccnn1 882060220 QKQDXWQKZGNVJO-UHFFFAOYSA-N 238.247 -0.337 50 20 BBGD C[C@H](O)CN(C)NC(=O)C1CC(=O)C1 910155060 JGYHUYFBPNSVAR-LURJTMIESA-N 200.238 -0.691 50 20 BBGD CO[C@@]1(C(=O)NN(C)[C@H](C)CO)CCSC1 911445461 VVJYXWWWIBZPGH-SCZZXKLOSA-N 248.348 -0.148 50 20 BBGD NC(=O)C(=O)NN=Cc1cccc2c[nH]nc12 1252080745 URTNGEIDFDNUAM-UHFFFAOYSA-N 231.215 -0.502 50 20 BBGD O=C(NN=Cc1cnc[nH]1)C(=O)NC1CC1 1322997948 ARIZTURBCGMSHO-UHFFFAOYSA-N 221.220 -0.862 50 20 BBGD Cn1cncc1C=NNC(=O)[C@H]1CCC(=O)N1 1329111074 PHWHBRGKIVILQM-MRVPVSSYSA-N 235.247 -0.851 50 20 BBGD O=C(NNC(=O)c1cn[nH]c1)N[C@H]1CCOC1 1329745672 MPWMFBWVJADLJE-ZETCQYMHSA-N 239.235 -0.857 50 20 BBGD CC(C)NC(=S)NNC(=O)[C@@H](C)N(C)C 1335954573 HOPCAAZBKRGBBF-SSDOTTSWSA-N 232.353 -0.160 50 20 BBGD NCCC(=O)NNC(=O)c1cccc(F)n1 1574087914 YKLKCWOYOBIFSP-UHFFFAOYSA-N 226.211 -0.670 50 20 BBGD Cc1c(C(=O)O)cc(C=NNC(=O)CO)n1C 1610407004 GSKOOWUXFIQICJ-UHFFFAOYSA-N 239.231 -0.526 50 20 BBGD CCOCC(=O)NNC(=O)C1CCC1 66654911 AQMXNHYDFUIZKI-UHFFFAOYSA-N 200.238 -0.030 50 20 BBGD CCCCOCC(=O)NNC(=O)CN(C)C 118495454 HFIBOYKOLVOWOE-UHFFFAOYSA-N 231.296 -0.488 50 20 BBGD Cc1cc(C)c(C(=O)NNC(=O)CO)[nH]1 182769274 DEFJLIYPKKPJHS-UHFFFAOYSA-N 211.221 -0.615 50 20 BBGD CCC[C@](C)(O)C(=O)NNC(=O)NC 269320479 RRXXTLOVMFXAFD-QMMMGPOBSA-N 203.242 -0.502 50 20 BBGD CNC(=O)[C@H](C)NC(=O)NNC(=O)C(C)(C)C 292490485 BMMROLLDDMOBDH-LURJTMIESA-N 244.295 -0.503 50 20 BBGD COCCN(C)NC(=O)c1cnns1 293565712 ILBHTRKDLFTYOU-UHFFFAOYSA-N 216.266 -0.239 50 20 BBGD Cc1cccc(CC(=O)NCB(O)O)c1 585060982 NCNLYNBMCQVFPY-UHFFFAOYSA-N 207.038 -0.334 50 20 BBGD CCN1CC[C@@H](NS(=O)(=O)CCl)C1=O 708626255 KIWLZAHILQFOJX-ZCFIWIBFSA-N 240.712 -0.277 50 20 BBGD COC[C@@H](C)NC(=S)NNC(=O)N(C)C 745736154 VHPMKWRFKIPSAL-ZCFIWIBFSA-N 234.325 -0.328 50 20 BBGD C#CCOCCC(=O)NNC(=O)C1CCC1 755881059 DEDUACWCZNFFIB-UHFFFAOYSA-N 224.260 -0.026 50 20 BBGD COCCn1cc(C=NN(C)C(N)=O)cn1 767901671 WYCAJPPMTVAQGM-UHFFFAOYSA-N 225.252 -0.126 50 20 BBGD CN(NC(=O)CN(C)S(C)(=O)=O)C1CC1 819645876 VJTZWULGGPIUNR-UHFFFAOYSA-N 235.309 -0.997 50 20 BBGD O=C(NNC(=O)[C@@H](O)C1CC1)NC1CC1 823767318 FNQUSYDUGFUMDG-ZETCQYMHSA-N 213.237 -0.750 50 20 BBGD CCC(=O)N[C@@H](C)C(=O)NN(C)[C@@H](C)CO 823971319 RXEXGBXYVSQEOK-YUMQZZPRSA-N 231.296 -0.755 50 20 BBGD C#CCNC(=O)NNC(=O)[C@@H]1CCO[C@H]1C 825534129 GJOZUQOSNBVLCZ-JGVFFNPUSA-N 225.248 -0.625 50 20 BBGD COCCN(C)NC(=O)CC(C)(C)O 848378530 VHCYPKAWCRGJRL-UHFFFAOYSA-N 204.270 -0.243 50 20 BBGD CN(C)C1(C(=O)NNC(=O)c2cccnc2)CC1 854146441 PMFYWPUXDXCEHV-UHFFFAOYSA-N 248.286 -0.063 50 20 BBGD Cc1nc(C)c(CC(=O)NNC(=O)CO)s1 897312296 BZZIKOCKMHNJDR-UHFFFAOYSA-N 243.288 -0.558 50 20 BBGD CN1CCO[C@@H](C(=O)N2CC=C(C#N)CC2)C1=O 901267920 VLRDSOSOFWYJLZ-SNVBAGLBSA-N 249.270 -0.474 50 20 BBGD NC(=O)[C@@H]1C[C@@H]1C(=O)NN=c1cc[nH]cc1 907256835 LESXRPONLLRZAD-SFYZADRCSA-N 220.232 -0.932 50 20 BBGD COC1(C(=O)NN(C)C[C@H](C)O)CCC1 910152151 LZAXAIXUIYUISS-QMMMGPOBSA-N 216.281 -0.101 50 20 BBGD C[C@@H](O)CN(C)NC(=O)[C@@H](O)C(C)(C)C 910156212 QYOQSJVJSHNRQQ-HTQZYQBOSA-N 218.297 -0.263 50 20 BBGD C[C@@H](O)CN(C)NC(=O)CNCC(F)(F)F 910166087 SAPZVGLLSVYQDN-ZCFIWIBFSA-N 243.229 -0.518 50 20 BBGD CC(C)CC(=O)NNC(=O)NC[C@H]1COCO1 923859465 LUENLXZCPJKZOE-QMMMGPOBSA-N 245.279 -0.264 50 20 BBGD CC(C)C(=O)NNC(=O)CCCC(N)=O 1256104389 KMJJLUOBQRXUCY-UHFFFAOYSA-N 215.253 -0.555 50 20 BBGD CNC(=O)NNC(=O)[C@H](O)CCSC 1319627602 VTVZTYMXMIVWOT-RXMQYKEDSA-N 221.282 -0.939 50 20 BBGD O=C1C[C@H](C(=O)NNc2cccnn2)CCN1 1320057746 NUSFINQVGYIBGE-SSDOTTSWSA-N 235.247 -0.554 50 20 BBGD Cn1ncnc1C=NNC(=O)C1CCOCC1 1330895128 BEEGCEKASGNVSF-UHFFFAOYSA-N 237.263 -0.308 50 20 BBGD O=C(CC1CC1)NNC(=O)Cn1cncn1 1344018556 XCWSNTCWKVTJJA-UHFFFAOYSA-N 223.236 -0.774 50 20 BBGD N#CC1=CCN(C(=O)Cn2ncnn2)CC1 1346722228 OVAFDOFVWWTBEI-UHFFFAOYSA-N 218.220 -0.645 50 20 BBGD CN(CC(Cl)Cl)C(=O)Cn1ncnn1 1348643358 NVAIKLBAEOPOPN-UHFFFAOYSA-N 238.078 -0.065 50 20 BBGD COCCC(=O)NNC(=O)c1ccccn1 263935005 VDASPAPETLBDNL-UHFFFAOYSA-N 223.232 -0.121 50 20 BBGD C=CCNC(=S)NNC(=O)CC(C)(C)O 280878839 CHFPJOKWBXDMGE-UHFFFAOYSA-N 231.321 -0.171 50 20 BBGD COC(=O)NNC(=O)c1cc(C#N)c[nH]1 495446964 AXZLCMUUKKGOFN-UHFFFAOYSA-N 208.177 -0.113 50 20 BBGD O=C(c1cccc(B(O)O)c1)N1N[C@H]2CC[C@H]1C2 585010316 NAKURVKAUDNYAN-QWRGUYRKSA-N 246.075 -0.752 50 20 BBGD Cn1ccc(CCNCc2ccc(B(O)O)o2)n1 585034080 GACXSKFFBUOGPJ-UHFFFAOYSA-N 249.079 -0.975 50 20 BBGD CC1(C)[C@@H](O)C[C@H]1NCc1cccc(B(O)O)c1 585037268 XLXSJTOLRHQPGF-NEPJUHHUSA-N 249.119 -0.385 50 20 BBGD O=C(NCB(O)O)[C@@H](O)C1CCCCC1 585062068 CGJGUNBJPVHWKJ-QMMMGPOBSA-N 215.058 -0.944 50 20 BBGD CN(C)C(=O)NNC(=O)[C@@H]1CCCOC1 727737582 VGWCJQUPFATOJC-SSDOTTSWSA-N 215.253 -0.285 50 20 BBGD Cc1nccc(C(=O)NNC(=O)C(C)(C)O)n1 768244802 NIWNDZAPNAQBNH-UHFFFAOYSA-N 238.247 -0.683 50 20 BBGD CCOCC(=O)NNC(=O)Nc1ccnn1C 775752162 QTSQHRWYINSRCJ-UHFFFAOYSA-N 241.251 -0.391 50 20 BBGD CC[C@H](C)[C@@H](OC)C(=O)NNC(=O)C(C)(C)O 793927032 WRQCIICXKZYSGM-JGVFFNPUSA-N 246.307 -0.034 50 20 BBGD COCC(=O)NN=Cc1cnc(N(C)C)nc1 814872723 WRJDWKKEZUDGBC-UHFFFAOYSA-N 237.263 -0.361 50 20 BBGD O=C(CN1CCCC1)NNC(=O)c1ccnnc1 823759734 ZWVHMUUOJAYFCO-UHFFFAOYSA-N 249.274 -0.667 50 20 BBGD CCOC(=O)[C@H](CC)C(=O)NN(C)[C@H](C)CO 823917847 OSFNVNDDWPUMMI-RKDXNWHRSA-N 246.307 -0.081 50 20 BBGD C[C@@H]1OCC[C@@H]1C(=O)NN(C)[C@@H](C)CO 823940479 YFEFJFYLJMNPMB-CIUDSAMLSA-N 216.281 -0.245 50 20 BBGD C=C[C@@H](O)C(=O)NNC(=O)NCCC 823951549 RZGULLKTARRQSY-ZCFIWIBFSA-N 201.226 -0.726 50 20 BBGD Cc1cc(=NNC(=O)[C@H]2CCC(=O)N2C)cc[nH]1 827030403 IKNSQZWQHIKOLD-SNVBAGLBSA-N 248.286 -0.124 50 20 BBGD CC(C)(C)N1CC[C@H](NC(=O)NN)C1=O 831230017 AQAPRZROOKESAN-LURJTMIESA-N 214.269 -0.441 50 20 BBGD Cc1ncc(C=NNC(=O)C(C)(C)O)n1C 853337133 WUDZGWMWULKTEC-UHFFFAOYSA-N 224.264 -0.050 50 20 BBGD O=C(NNC(=O)C1CC1)c1cc(O)ncn1 858122293 RXYTYQZNWBQHSG-UHFFFAOYSA-N 222.204 -0.647 50 20 BBGD COC(=O)CC(=O)NNC(=O)CC(F)(F)F 911427053 OGIZKLHGZMHUIC-UHFFFAOYSA-N 242.153 -0.351 50 20 BBGD C#C[C@H](C)NC(=O)NNC(=O)c1cnn(C)c1 1116667515 HSILZRAJVBSFNZ-ZETCQYMHSA-N 235.247 -0.614 50 20 BBGD C[C@H](CO)N(C)NC(=O)CCc1ccncn1 1332368057 VBLSFKARPXLBQE-SECBINFHSA-N 238.291 -0.247 50 20 BBGD CCNC(=O)N(C)NC(=O)[C@H]1C[C@H]1C(=O)O 1596463172 ROMVDVXXLSWNDU-NTSWFWBYSA-N 229.236 -0.600 50 20 BBGD O=C(NCCC1(F)CCC1)NNC(=O)C(=O)O 1601489991 ARKKZZBKTPRZAF-UHFFFAOYSA-N 247.226 -0.316 50 20 BBGD COC(=O)NNC(=O)[C@H](C(=O)O)C(C)C 1604345185 UKLNYDGOOUHWEU-RXMQYKEDSA-N 218.209 -0.270 50 20 BBGD N#C/C=C/Cn1cncc(-c2nn[nH]n2)c1=O 1606344948 CKIMAEWXMDHGHI-OWOJBTEDSA-N 229.203 -0.497 50 20 BBGD Cc1ccc(C=NNC(=O)C(N)=O)cc1C(=O)O 1776015501 BHJAYJQGBYDVMI-UHFFFAOYSA-N 249.226 -0.371 50 20 BBGD COCc1cc(C)cc(B(O)O)c1OC 196103391 KMPWQZAPFKFJFQ-UHFFFAOYSA-N 210.038 -0.170 50 20 BBGD COc1ncncc1NC(=O)NNC(C)=O 273244537 UXFMSIHJHKLNPS-UHFFFAOYSA-N 225.208 -0.342 50 20 BBGD CC(=O)OC(C)(C)C(=O)NNC(=O)C1CC1 275297944 NITZRCDCLIBHHE-UHFFFAOYSA-N 228.248 -0.115 50 20 BBGD CC[C@@H](COC)NCc1ccccc1B(O)O 585025430 UIOOAEDOIZYNQH-NSHDSACASA-N 237.108 -0.119 50 20 BBGD OB(O)c1ccccc1CNCCC1CC(O)C1 585037991 PDOJHNYAJHVLSI-UHFFFAOYSA-N 249.119 -0.383 50 20 BBGD CC1(C)C[C@H](NCc2ccc(B(O)O)o2)CO1 585046507 WCLLYWRYGQCFJU-QMMMGPOBSA-N 239.080 -0.384 50 20 BBGD O=C(NCB(O)O)C1(Oc2ccccc2)CC1 585062502 JUFYJWZKWIHAIL-UHFFFAOYSA-N 235.048 -0.274 50 20 BBGD O=C([C@@H]1CCCS1)N1CC[C@@H](B(O)O)C1 585066114 LHUTXKXSKDFPRP-SFYZADRCSA-N 229.110 -0.043 50 20 BBGD OB(O)[C@@H]1CCN(c2ncc(F)cn2)C1 585074599 ZYYAAXVLWNZHBN-ZCFIWIBFSA-N 211.005 -0.331 50 20 BBGD CCOCC(=O)NN=C1CCCS(=O)(=O)C1 731927724 PWUWOZFNRDLEPK-UHFFFAOYSA-N 248.304 -0.296 50 20 BBGD CCNC(=O)NNC(=O)[C@H]1C[C@@]12CCOC2 763750929 UAIHTRDJVDULRI-GMSGAONNSA-N 227.264 -0.237 50 20 BBGD CCOC(C)(OCC)C(=O)NNC(=O)COC 790064100 SZDOABWZZRISID-UHFFFAOYSA-N 248.279 -0.431 50 20 BBGD CC(C)CC(=O)NNC(=O)[C@H]1CCC(=O)N1C 806346442 MFZZXZCWZSWUGZ-MRVPVSSYSA-N 241.291 -0.199 50 20 BBGD CCO/C=C\C(=O)NN(CC)CCO 823884701 GHXHVLQQNKLMBY-YVMONPNESA-N 202.254 -0.118 50 20 BBGD COC/C=C/C(=O)NN(C)[C@H](C)CO 823901924 IERYQJYDEGQTTM-WTSVBCDHSA-N 202.254 -0.467 50 20 BBGD COc1cccc(NNC(=O)[C@H]2CC(=O)N2)n1 831882096 RUHUYNRMZOKMJW-ZCFIWIBFSA-N 236.231 -0.578 50 20 BBGD CC(C)(CO)C(=O)NNC(=O)c1ccc[nH]1 847298480 SMUSNKAJGQSHOW-UHFFFAOYSA-N 225.248 -0.206 50 20 BBGD NC(=O)[C@H]1CC[C@@H]1C(=O)NNC(=O)CC1CC1 848144582 XJZYHNPJYJAMEG-YUMQZZPRSA-N 239.275 -0.555 50 20 BBGD COCCOCC(=O)NNC(=O)C1=COCC1 869909187 MCWDXACNLPLAIL-UHFFFAOYSA-N 244.247 -0.899 50 20 BBGD COCCOCC(=O)NNC(=O)C[C@@H](C)OC 869909488 XYONNGRHRQFJPQ-MRVPVSSYSA-N 248.279 -0.778 50 20 BBGD C[C@H](O)CN(C)NC(=O)CC1OCCCO1 910161548 VQDTZSNDEVFAKG-QMMMGPOBSA-N 232.280 -0.517 50 20 BBGD C[C@@H](C(=O)NN(C)C[C@@H](C)O)n1cccn1 910168679 QBWZRZVYZNDASD-BDAKNGLRSA-N 226.280 -0.212 50 20 BBGD COc1ncc(C(=O)NNC(=O)N(C)C)cn1 1116063720 DKRAXXBUKROZSN-UHFFFAOYSA-N 239.235 -0.599 50 20 BBGD C#Cc1ccc(C(=O)NNC(=O)NC)nc1 1318503174 MIZRWOWXQKPFNQ-UHFFFAOYSA-N 218.216 -0.363 50 20 BBGD CCn1ccnc1C(=O)NNC(=O)N(C)C 1324743296 WDNQVGRGDZKDAJ-UHFFFAOYSA-N 225.252 -0.181 50 20 BBGD CS(=O)(=O)CC(=O)NNC(=O)C1=CCCC1 1348434835 BINLRKSESOVSGQ-UHFFFAOYSA-N 246.288 -0.711 50 20 BBGD CC(=O)NNC(=O)[C@H]1COc2ccccc2O1 23080810 GXYIPHYCFRLWMC-SNVBAGLBSA-N 236.227 -0.006 50 20 BBGD CCOCCC(=O)NNC(=O)c1cc(C)n[nH]1 151162624 WYNRTFFXEDLTSV-UHFFFAOYSA-N 240.263 -0.094 50 20 BBGD CC(=O)NNC(=O)c1ncn(C(C)(C)C)n1 290883147 CCBSKZCHBHNXSI-UHFFFAOYSA-N 225.252 -0.186 50 20 BBGD Cn1ccc(CNCc2ccccc2B(O)O)n1 585035363 SSDNERONRLNAPX-UHFFFAOYSA-N 245.091 -0.610 50 20 BBGD CCN(CC)CC(=O)NNC(=O)N(C)C 746850231 ZRPNJTWYIZCHFR-UHFFFAOYSA-N 216.285 -0.369 50 20 BBGD CCCC(=O)NNC(=O)N1CCN(C)CC1 773660158 VKBFBBJDFFUIOC-UHFFFAOYSA-N 228.296 -0.225 50 20 BBGD CCNC(=O)NNC(=O)[C@@H](CC)CO 779749440 LUKGHIYZSSKZDX-LURJTMIESA-N 203.242 -0.645 50 20 BBGD CCC[C@@H]1C[C@H]1C(=O)NNC(=O)CO 812544752 SPPRROLOQOHDRC-RNFRBKRXSA-N 200.238 -0.438 50 20 BBGD CC(C)[C@H](O)C(=O)NNC(=O)NC1CC1 813423999 RFHIZXLYFGITOK-ZETCQYMHSA-N 215.253 -0.504 50 20 BBGD CC(C)[C@@H](NC(=O)O)C(=O)NN(C)C(N)=O 833468958 SJIHWNAYWLZZNI-RXMQYKEDSA-N 232.240 -0.680 50 20 BBGD C/C=C(/C)C(=O)NNC(=O)N1CCN(C)CC1 854379072 NGMHORCCYQVDBS-WTKPLQERSA-N 240.307 -0.059 50 20 BBGD CC(C)[C@H](O)C(=O)NNC(=O)c1cc[nH]n1 855355792 HQVYJSMISLOUTR-ZETCQYMHSA-N 226.236 -0.812 50 20 BBGD C[C@@H]1C[C@@H](C(=O)NNC(=O)c2cn[nH]c2)CO1 862470780 JEZDUSSCRYIPHR-RNFRBKRXSA-N 238.247 -0.404 50 20 BBGD CC(=NNC(=O)C(N)=O)c1cccc(C#N)c1 915934833 JHOHIMOFXIFXTB-UHFFFAOYSA-N 230.227 -0.116 50 20 BBGD O=C(c1cnc(C2CC2)[nH]1)N1CC[C@@H](B(O)O)C1 1118916059 JUCHAPXOMZNZOA-MRVPVSSYSA-N 249.079 -0.024 50 20 BBGD Cc1nc(C)c(C(=O)N2CC[C@H](B(O)O)C2)o1 1118916475 OLRAKNHCLGLKRP-QMMMGPOBSA-N 238.052 -0.020 50 20 BBGD Nc1ncc(C=NNC(=O)c2cnccn2)cn1 1319974492 UHXLCDLQFROSLL-UHFFFAOYSA-N 243.230 -0.387 50 20 BBGD COc1ncccc1C(=O)NNc1cnnn1C 1325023561 SHNPNKNIIMEBMU-UHFFFAOYSA-N 248.246 -0.024 50 20 BBGD C[C@@H](CO)N(C)NC(=O)[C@@H](C)n1cncn1 1330261203 KZFTWSSYFXWJOE-JGVFFNPUSA-N 227.268 -0.817 50 20 BBGD COC(=O)C(=O)NN=Cc1cnc2ncccn12 1341145127 ONYORTRLGDPBGN-UHFFFAOYSA-N 247.214 -0.648 50 20 BBGD CNC(=O)CCCC(=O)NNC(=O)N(C)C 1343146641 PZXGWUGRVUDYFJ-UHFFFAOYSA-N 230.268 -0.795 50 20 BBGD Cn1nncc1NNC(=O)[C@@]1(C)CCOC1 1347988873 ZIGKGNRCBPCYPH-VIFPVBQESA-N 225.252 -0.315 50 20 BBGD CC1(C)CCC[C@@H]1NC(=O)NNC(=O)C(=O)O 1609817615 KUOQGQFISJRGQO-LURJTMIESA-N 243.263 -0.020 50 20 BBGD CC(=O)c1ccc(C(=O)NNC(=O)CO)cc1 182767213 SLBOAWALODFVSZ-UHFFFAOYSA-N 236.227 -0.358 50 20 BBGD COC(=O)NNC(=O)[C@H](C)NC(=O)C(C)(C)C 298137063 NHFFAZKLAVLIFY-LURJTMIESA-N 245.279 -0.076 50 20 BBGD CCO/C=C(/C#N)C(=O)N[C@H]1CCN(C)C1=O 490909624 OLYRWVDZGSFYHA-FUOZMLNRSA-N 237.259 -0.223 50 20 BBGD CN(C)S(=O)(=O)NNC(=O)c1ccccn1 742025884 JZFXZWNYORKTST-UHFFFAOYSA-N 244.276 -0.878 50 20 BBGD CC(=O)N[C@H](C(=O)NNC(=O)N(C)C)C(C)C 746013070 SNJMMAAZKUKAKM-QMMMGPOBSA-N 244.295 -0.551 50 20 BBGD O=C(NNC(=O)[C@@H]1[C@H]2CCCO[C@H]21)C1CC1 780321061 UXCVLZULTYBJKP-IWSPIJDZSA-N 224.260 -0.031 50 20 BBGD CC[C@@H](NNC(=O)c1cnccn1)C(=O)OC 790445893 JWROMBQTNSUQGR-SSDOTTSWSA-N 238.247 -0.337 50 20 BBGD COCCN(C)NC(=O)C1=COCCO1 808074485 XTVVJEJVEAGMDK-UHFFFAOYSA-N 216.237 -0.516 50 20 BBGD CCN(CCO)NC(=O)c1ccc(C#N)n1C 823889019 FQPWPCUMCPVMBX-UHFFFAOYSA-N 236.275 -0.144 50 20 BBGD COCCCOCCC(=O)NN(C)C(N)=O 831519537 ODGMBBJLBUXKPO-UHFFFAOYSA-N 233.268 -0.529 50 20 BBGD O=C1NCC[C@H]1C(=O)NNc1ccnc(F)c1 831919373 XRYXZASABJRWOW-SSDOTTSWSA-N 238.222 -0.200 50 20 BBGD CC(C)(C)NC(=O)NNC(=O)[C@@H]1CCC(=O)N1 864392846 XJGKJRMKRMGBCG-LURJTMIESA-N 242.279 -0.606 50 20 BBGD COC/C=C\C(=O)NN(C)CCOC 868242083 XXFRGXHPWOJPSD-PLNGDYQASA-N 202.254 -0.202 50 20 BBGD COC(OC)C(=O)NNC(=O)C(C)C 873797757 ZBJKKTFOSUWSFJ-UHFFFAOYSA-N 204.226 -0.591 50 20 BBGD CCNC(=O)NNC(=O)[C@@H]1[C@@H]2CCC(=O)[C@H]21 906417378 LJCRKDZIQYEOQX-MHSYXAOVSA-N 225.248 -0.438 50 20 BBGD CC(=O)NNC(=O)COc1ccc(CO)cc1 914683841 PNXHIYFYQOQRSC-UHFFFAOYSA-N 238.243 -0.275 50 20 BBGD COCCOCC(=O)NNC(=O)CC(C)C 914878949 HRLKMRFOBABCAJ-UHFFFAOYSA-N 232.280 -0.157 50 20 BBGD CNC(=O)NNC(=O)C(=O)C(C)(C)C 1319268573 QGOCFMZFAQIPRF-UHFFFAOYSA-N 201.226 -0.438 50 20 BBGD Cn1nncc1C=NNC(=O)Cc1cccnc1 1319430684 LPVLULGXVYFMPU-UHFFFAOYSA-N 244.258 -0.097 50 20 BBGD CC(C)(F)C(=O)NNC(=O)C(=O)N1CCCC1 1319694334 KRRYPYZAWRSZCR-UHFFFAOYSA-N 245.254 -0.496 50 20 BBGD CNC(=O)NNC(=O)c1ncc(F)cc1F 1324593989 PRZQXJSVMMQCOT-UHFFFAOYSA-N 230.174 -0.066 50 20 BBGD CC(C)C(=O)NNC(=O)Cc1nc[nH]n1 1329241974 DFNZLMHGXFIMMB-UHFFFAOYSA-N 211.225 -0.849 50 20 BBGD CCCNC(=S)NNC(=O)c1cnccn1 30809048 KRJKPJSVIKUCEY-UHFFFAOYSA-N 239.304 -0.005 50 20 BBGD CC(C)C(=O)NNC(=O)c1nccnc1N 53945481 SNOUPHMRWMJLPB-UHFFFAOYSA-N 223.236 -0.524 50 20 BBGD Cc1cc(C(=O)NNC(=O)c2cc(C)n[nH]2)[nH]n1 153352703 MQOFWRJNBNYPKX-UHFFFAOYSA-N 248.246 -0.176 50 20 BBGD C=CCNC(=S)NNC(=O)[C@H]1COCCO1 266661278 IJMKFDUODRBHCU-SSDOTTSWSA-N 245.304 -0.917 50 20 BBGD CC(C)(O)C(=O)NNC(=O)C(C)(C)C#N 276207163 GQTAGALVIUMMPJ-UHFFFAOYSA-N 213.237 -0.546 50 20 BBGD Cn1ncc(C(=O)NNC(=O)C(C)(C)C)n1 284174413 XNYNZZCEFQQFKH-UHFFFAOYSA-N 225.252 -0.378 50 20 BBGD COC(=O)N(C)NC(=O)c1cnn(C)c1 495760126 GMZVPZYDALUTGE-UHFFFAOYSA-N 212.209 -0.237 50 20 BBGD CC[C@@H](C(=O)N1CC[C@@H](B(O)O)C1)N(C)C 585065650 FAOKKCUMWSGQRF-BDAKNGLRSA-N 228.101 -0.598 50 20 BBGD CN(C)C(=O)NNC(=O)CCSCC(=O)O 737349512 FSIFOZXPEKLWPG-UHFFFAOYSA-N 249.292 -0.503 50 20 BBGD CCNC(=O)N(C)NC(=O)[C@H](CC)CO 779836070 URXODYYWLQFCOU-SSDOTTSWSA-N 217.269 -0.303 50 20 BBGD C=C[C@H](O)C(=O)NNC(=O)C1CCCC1 821754554 IMHOCONPMCNZKN-QMMMGPOBSA-N 212.249 -0.129 50 20 BBGD C[C@H](CO)N(C)NC(=O)[C@H]1CC1(F)F 823918057 QWGOBOZEDKQCJY-PHDIDXHHSA-N 208.208 -0.015 50 20 BBGD Cc1cc(C)n(CC(=O)NN(C)[C@H](C)CO)n1 823983272 OZTRKJATXKLPOO-SNVBAGLBSA-N 240.307 -0.156 50 20 BBGD O=C(NNC(=O)C1CSC1)c1ncon1 832830339 MZCDPMJRNLAMMU-UHFFFAOYSA-N 228.233 -0.806 50 20 BBGD NNC(=O)[C@@H]1CC(=O)N[C@H]2CCCC[C@H]21 852771972 FBAJMDVDJQISKV-RNJXMRFFSA-N 211.265 -0.329 50 20 BBGD CC(=O)NNC(=O)CN1CCCCC1=O 920430333 JLDMNBJPXOHJMJ-UHFFFAOYSA-N 213.237 -0.834 50 20 BBGD O=C(CCO)NN=C1C(=O)Nc2cc(O)ccc21 1116205047 KOXHYSNOOIZWAJ-UHFFFAOYSA-N 249.226 -0.453 50 20 BBGD COCCNC(=O)/C(C#N)=C/c1ncnn1C 1120079226 QAZQXMOBTFDUSR-VMPITWQZSA-N 235.247 -0.515 50 20 BBGD CNC(=O)NNC(=O)CCCCOC 1251364827 OUEJWNYCMIBDCW-UHFFFAOYSA-N 203.242 -0.237 50 20 BBGD Cc1nn(C)c(C)c1C=NNC(=O)CO 1319848250 GRIAWOHXBNTMMD-UHFFFAOYSA-N 210.237 -0.521 50 20 BBGD C[C@H](C(=O)NNC(=O)NCCN)n1cccc1 1575070352 YGJSSLFWQNPYGQ-MRVPVSSYSA-N 239.279 -0.662 50 20 BBGD CC1(C)CO[C@@H](CC(=O)NNC(=O)CCN)C1 1576484257 PZYMRZCKJIIUMY-QMMMGPOBSA-N 243.307 -0.312 50 20 BBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)CCC(=O)O 1603479454 BOLNHWJFBBYHRN-BQBZGAKWSA-N 244.247 -0.576 50 20 BBGD OCC[C@H](O)COCC[C@H](O)CCl 2048529572 PBKBEDMONRKXTA-YUMQZZPRSA-N 212.673 -0.264 50 20 BBGD COCC(=O)N1CCN(C(=O)CCl)CC1 37654211 RUJPHYPUWCNZRL-UHFFFAOYSA-N 234.683 -0.458 50 20 BBGD COC[C@H](CO)NS(=O)(=O)CCl 229357840 ZIPMNUZGDLEVTL-YFKPBYRVSA-N 217.674 -0.891 50 20 BBGD CCN1C[C@@H](C(=O)NNC(=O)C2CC2)CC1=O 298335877 IVDVJNSXCMPJBH-QMMMGPOBSA-N 239.275 -0.588 50 20 BBGD COC[C@@H](C)NC(=S)NNC(N)=O 379392238 RKTXRSADXBFAGS-SCSAIBSYSA-N 206.271 -0.931 50 20 BBGD COC(=O)N[C@@H](C)C(=O)NNc1ncccn1 495740274 ZMQYFQMSSWCAFO-LURJTMIESA-N 239.235 -0.336 50 20 BBGD CNC(=O)C1(C(=O)NNC(=O)C(C)(C)C)CC1 729967394 IMYWCEDPWNFPGP-UHFFFAOYSA-N 241.291 -0.294 50 20 BBGD COCCC1(C(=O)NNC(C)=O)CC1 746292182 APEKYBBTWVRVPW-UHFFFAOYSA-N 200.238 -0.030 50 20 BBGD Cn1cncc1C(=O)NNC(=O)c1ccncc1 809538211 KXLWIYHNOVKLIA-UHFFFAOYSA-N 245.242 -0.110 50 20 BBGD CCN(CCO)NC(=O)C(=O)C(C)(C)C 823860563 VPUNYTIXGZLYCH-UHFFFAOYSA-N 216.281 -0.053 50 20 BBGD C[C@@H](CO)N(C)NC(=O)[C@@](C)(O)C1CC1 823922733 MNLCHCNBCYCHPM-XVKPBYJWSA-N 216.281 -0.509 50 20 BBGD NNC(=O)c1ccc(C[C@H]2CC(=O)NC2=O)cc1 825651528 AXXHOIKAFVIVKQ-VIFPVBQESA-N 247.254 -0.505 50 20 BBGD CC(=O)NNC(=O)[C@@H]1CCCN1C(=O)C1CC1 843750962 WBZCYWQXSSPOPU-VIFPVBQESA-N 239.275 -0.445 50 20 BBGD Cc1n[nH]cc1C(=O)NNC(=O)C(C)(C)CO 847462515 XSSJUJAYFCUEPG-UHFFFAOYSA-N 240.263 -0.502 50 20 BBGD CC[C@@H](C#N)C(=O)NNC(=O)c1cc[nH]n1 855354846 KLUGUAJIRBYHDK-LURJTMIESA-N 221.220 -0.280 50 20 BBGD CCC[C@@H](OCC)C(=O)NNC(=O)CO 863903578 LUVLHZQEDFLILI-SSDOTTSWSA-N 218.253 -0.669 50 20 BBGD Cn1c(C(=O)NNC(=O)C2CC2)cnc1O 864443659 FHNHUJSRYYGZOM-UHFFFAOYSA-N 224.220 -0.703 50 20 BBGD C[C@@]1(C(=O)NNC(=O)C2CC2)CCNC1=O 873752053 YZKXGBJHMPUGQG-SNVBAGLBSA-N 225.248 -0.930 50 20 BBGD CCCCCNC(=O)NNC(=O)C(=O)OC 1252438000 HUBWKWNILWGYGJ-UHFFFAOYSA-N 231.252 -0.320 50 20 BBGD CC(C)NC(=S)NNC(=O)[C@H](O)C(C)C 1322407185 GELYUTVPGLCBPY-SSDOTTSWSA-N 233.337 -0.093 50 20 BBGD CC(=O)NNC(=O)[C@@H]1CCc2nccn2C1 1330619137 UOMVNXROQKOLRQ-MRVPVSSYSA-N 222.248 -0.387 50 20 BBGD CC(C)NC(=O)C(=O)NN=Cc1ccn(C)n1 1343877711 IFIGENODTQQNDG-UHFFFAOYSA-N 237.263 -0.605 50 20 BBGD CC(=O)NN=Cc1nc(-c2nn[nH]n2)cs1 1588870054 UYVJSLHBOPAOGH-UHFFFAOYSA-N 237.248 -0.207 50 20 BBGD C[C@@H](CO)N(C)NC(=O)C(C)(C)C(=O)O 1589072713 AXZVSVPBJLIERA-LURJTMIESA-N 218.253 -0.559 50 20 BBGD C[C@@H](CC#N)NC(=O)c1ccc(B(O)O)cc1 584944391 LFFYIBWNINPXOR-QMMMGPOBSA-N 232.048 -0.602 50 20 BBGD C[C@H]1C[C@H](NC(=O)c2ccc(B(O)O)cc2)CO1 585003030 GARMDAXNULTZDU-KWQFWETISA-N 249.075 -0.726 50 20 BBGD OB(O)c1ccc(CN[C@H]2CCCC[C@@H]2O)o1 585037470 ZBKBJFLGCNXPDH-UWVGGRQHSA-N 239.080 -0.648 50 20 BBGD C[C@H](C(=O)NNC(=O)CN(C)C)C(F)(F)F 743333108 JSMVDPJVBBOZTA-RXMQYKEDSA-N 241.213 -0.106 50 20 BBGD CN1CC[C@H](C(=O)NNC(=O)C2CC2)C1=O 771857444 IKRXBQFVJANRJV-SSDOTTSWSA-N 225.248 -0.978 50 20 BBGD O=C(NN=C1CCS(=O)(=O)CC1)C(F)F 814902565 VAUATMLGZWBOSY-UHFFFAOYSA-N 240.231 -0.068 50 20 BBGD CC(C)(O)C(=O)NNc1ncncc1F 817077176 BLCBPZBYGXGAPO-UHFFFAOYSA-N 214.200 -0.170 50 20 BBGD CCN1CCO[C@@H](C(=O)NN(C)[C@H](C)CO)C1 823951169 ITTOVGHZUWGTGJ-NXEZZACHSA-N 245.323 -0.949 50 20 BBGD C[C@H](C(=O)NNC(=O)c1ncon1)C1CC1 832826408 YYYXHUZBZLGBNN-YFKPBYRVSA-N 224.220 -0.123 50 20 BBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1cnc[nH]1 843975216 QNRQNCWQRFWPKE-NKWVEPMBSA-N 238.247 -0.404 50 20 BBGD CCC(=O)N[C@H](C)C(=O)NN(C)CCOC 848377514 MXXWRMJAQHZPET-MRVPVSSYSA-N 231.296 -0.490 50 20 BBGD COCCCNC(=S)N(C)NC(=O)CC#N 854284031 UUDKRWNYGDPNFE-UHFFFAOYSA-N 244.320 -0.226 50 20 BBGD C#C[C@H](CCC)NC(=O)c1cccc(B(O)O)c1 863879939 IFTPSILEGFCDND-GFCCVEGCSA-N 245.087 -0.102 50 20 BBGD CC#CCCNC(=O)NNC(=O)c1cn[nH]c1 875504948 WOSAKPSROGPSSX-UHFFFAOYSA-N 235.247 -0.233 50 20 BBGD C#CCCCC(=O)NNC(=O)C1(O)CCC1 887147133 ZBSGKTPGQPMCMG-UHFFFAOYSA-N 224.260 -0.148 50 20 BBGD C[C@H](NNC(=O)[C@@H]1C[C@@H]1C(N)=O)C(F)(F)F 912897887 CRQOOGMOOYASIY-VAYJURFESA-N 239.197 -0.321 50 20 BBGD CCN(CCO)NC(=O)c1ccc[n+]([O-])c1 1119106148 ZZOGXDUAWZEVBG-UHFFFAOYSA-N 225.248 -0.721 50 20 BBGD NC(=O)C(=O)NN=Cc1c[nH]c2ncccc12 1318749661 SVHBBXRVBYJICJ-UHFFFAOYSA-N 231.215 -0.502 50 20 BBGD C[C@@H](O)CN(C)NC(=O)CCc1cncnc1 1339541151 YKZHQZMXUOEJJN-SECBINFHSA-N 238.291 -0.247 50 20 BBGD CNC(=O)NNC(=O)c1nnc2ccccc2n1 1340104435 HBUJEMLGMRTWAD-UHFFFAOYSA-N 246.230 -0.401 50 20 BBGD O=C1CC[C@@H](C(=O)NN=C[C@H]2CCOC2)N1 1348412313 VPUAYFRLIZCDQG-SFYZADRCSA-N 225.248 -0.597 50 20 BBGD C[C@@H](O)CN(C)NC(=O)C1=CCOCC1 1350777772 COACYLFQPRBUGR-MRVPVSSYSA-N 214.265 -0.323 50 20 BBGD COC(=O)N(C)NC(=O)CCCC(=O)O 1598875408 CBJHTOVCLFXERP-UHFFFAOYSA-N 218.209 -0.029 50 20 BBGD COC(=O)[C@@H]1C[C@@H]1C(=O)NNC(=O)NC(C)C 263890925 KLWCJTPWHXNSOC-NKWVEPMBSA-N 243.263 -0.466 50 20 BBGD CC(C)(O)C(=O)NNC(=O)c1cccnc1 276225940 IYIRSWHYHOUXLM-UHFFFAOYSA-N 223.232 -0.387 50 20 BBGD COC(=O)N(C)NC(=O)CN1CCCC1=O 286502315 WPKCQSYNGBGVOQ-UHFFFAOYSA-N 229.236 -0.662 50 20 BBGD CC(=O)NNC(=O)c1cnn(C(C)C)c1N 381568219 UKLAHJOUHITYIM-UHFFFAOYSA-N 225.252 -0.173 50 20 BBGD O=C(c1cccc(B(O)O)c1)N1CC(F)C1 584974320 UNRHEPQDPJZREG-UHFFFAOYSA-N 223.012 -0.840 50 20 BBGD CO[C@@H](C)CNC(=O)c1cccc(B(O)O)c1 584979356 RNYZLDSBLJKJFK-QMMMGPOBSA-N 237.064 -0.869 50 20 BBGD C[C@H](NCc1ccccc1B(O)O)[C@@H]1CCOC1 585026203 DBHGKDXOHNXDKI-CMPLNLGQSA-N 249.119 -0.119 50 20 BBGD CC(C)(C)CS(=O)(=O)N1CC[C@@H](B(O)O)C1 585058793 PZHKWOPTRNXMKJ-MRVPVSSYSA-N 249.141 -0.089 50 20 BBGD Nc1cc(C(=O)NCB(O)O)cc(Cl)n1 585062929 XOOIQSQIYRTWAA-UHFFFAOYSA-N 229.432 -0.941 50 20 BBGD Cc1cc(C)n2nc(C(=O)N(C)N)nc2n1 707534691 IAMYCASUTZTOEZ-UHFFFAOYSA-N 220.236 -0.313 50 20 BBGD CC(C)C(=O)NNC(=O)c1ccn(C)n1 727365511 UDINHSKPVZMTMY-UHFFFAOYSA-N 210.237 -0.163 50 20 BBGD O=C(NNC(=O)C1=COCC1)NC1CC1 734125418 GLJZBONSTIJYAN-UHFFFAOYSA-N 211.221 -0.217 50 20 BBGD COCC(=O)NNC(=S)NCC(F)(F)F 746397397 KCZWDNKPTRZNHL-UHFFFAOYSA-N 245.226 -0.310 50 20 BBGD CCc1ccc(C=NNC(=O)C(N)=O)o1 760226346 TYIKTQKHHDGXPO-UHFFFAOYSA-N 209.205 -0.223 50 20 BBGD COc1ccc(C=NNC(=O)CO)cn1 780242573 GUYQSWZGPJKWHW-UHFFFAOYSA-N 209.205 -0.467 50 20 BBGD CN(C)CC(=O)NNC(=O)[C@H]1CCCCS1 783649096 COTXFYPSIKMVKX-MRVPVSSYSA-N 245.348 -0.019 50 20 BBGD COc1nccnc1NNC(=O)Cc1ncc[nH]1 816971055 RXALUVXCBNPNRR-UHFFFAOYSA-N 248.246 -0.106 50 20 BBGD O=C(CC1CC1)NNC(=O)C(=O)NCC1CC1 819126230 KQESXBDNRRGQNF-UHFFFAOYSA-N 239.275 -0.540 50 20 BBGD O=C(CC(F)(F)F)NNC(=O)[C@H]1C[C@@H](O)C1 823829677 WFGKRVUCQSUKLM-SYDPRGILSA-N 240.181 -0.143 50 20 BBGD C=C[C@@](C)(O)C(=O)NNC(=O)Cc1cc[nH]n1 826667384 NTGIVCYZTYRJBZ-SNVBAGLBSA-N 238.247 -0.963 50 20 BBGD CC(C)(NC(=O)O)C(=O)NN=c1cc[nH]cc1 833461019 JSURTVAIDSWGGR-UHFFFAOYSA-N 238.247 -0.007 50 20 BBGD CCn1ccc(C(=O)NNC(=O)CN(C)C)n1 844133187 UDMLBUSLKZLFPV-UHFFFAOYSA-N 239.279 -0.774 50 20 BBGD CC[C@H]1COCC1=NNC(=O)[C@H]1CCC(=O)N1 863151529 NXJAJMRAEJERCJ-JGVFFNPUSA-N 239.275 -0.206 50 20 BBGD OB(O)c1ccccc1CNC[C@H]1CCCOC1 876956150 HWVIGZZXOBQIRA-LLVKDONJSA-N 249.119 -0.117 50 20 BBGD CNC(=O)NNC(=O)[C@@H]1[C@@H]2CCC(=O)[C@H]21 906393827 MKFXQVWGOYRDHF-PRMYIZFSSA-N 211.221 -0.828 50 20 BBGD NC(=O)NN=C1CCC2(CC1)NC(=O)NC2=O 1116388665 WOVGBMAIZJPRRF-UHFFFAOYSA-N 239.235 -0.837 50 20 BBGD Cc1c(C(=O)NNC(=O)N(C)C)cnn1C 1324684536 QJGLLFXMPGMLAW-UHFFFAOYSA-N 225.252 -0.355 50 20 BBGD CCNC(=O)N(C)NC(=O)c1ncnn1C 1327728852 UWOCTENHTOJJHC-UHFFFAOYSA-N 226.240 -0.879 50 20 BBGD CNC(=S)N(C)NC(=O)c1[nH]c(O)nc1C 1328744871 MNUZJDQKMAYOHU-UHFFFAOYSA-N 243.292 -0.495 50 20 BBGD COC(OC)C(=O)NNc1ccn(C)n1 1331667310 NODAPZSCTICWLP-UHFFFAOYSA-N 214.225 -0.518 50 20 BBGD C=CCNC(=S)NNC(=O)CNC1CC1 1574067631 XYZZMRKWDVHXJN-UHFFFAOYSA-N 228.321 -0.580 50 20 BBGD CNC(=O)NNC(=O)[C@@H](NC(=O)OC)C(C)C 264524318 BNJJCMPXBKCPIE-LURJTMIESA-N 246.267 -0.673 50 20 BBGD CC(C)CC(=O)NNC(=O)c1ncn(C)n1 289642387 WSMDSGKILDJDDE-UHFFFAOYSA-N 225.252 -0.378 50 20 BBGD Cn1cncc1C(=O)NNC(=O)CC1CC1 294135039 LHELCDOXLCBLPT-UHFFFAOYSA-N 222.248 -0.019 50 20 BBGD CCN1C[C@H](C(=O)NNC(C)=O)CC1=O 299227242 PDZVUPPVSSABPB-SSDOTTSWSA-N 213.237 -0.978 50 20 BBGD C[C@@]1(C(=O)Nc2cccc(B(O)O)c2)CCOC1 584913818 KFGXWNWMYQXNIZ-GFCCVEGCSA-N 249.075 -0.269 50 20 BBGD CCO[C@H]1C[C@@H]1NCc1cccc(B(O)O)c1 585038350 AZZJACMHDGTUTJ-RYUDHWBXSA-N 235.092 -0.367 50 20 BBGD O=S(=O)(CCc1cccs1)NCB(O)O 585059153 ATYBJYFSRVWYAV-UHFFFAOYSA-N 249.122 -0.778 50 20 BBGD OB(O)c1ccncc1OC[C@H]1CCCO1 714032834 JPWXPRNNBBHHNT-MRVPVSSYSA-N 223.037 -0.681 50 20 BBGD Cn1nccc1C=NNC(=O)N1CCOCC1 745591376 XMIVZWQKLRILQW-UHFFFAOYSA-N 237.263 -0.204 50 20 BBGD CC(=NNC(=O)C(N)=O)c1ccc(C#N)s1 762437417 CYRDIYCESZDFGM-UHFFFAOYSA-N 236.256 -0.055 50 20 BBGD CC(C)(O)C(=O)NNC(=O)COC1CCCC1 768260968 JGQJIIGCHOCDEC-UHFFFAOYSA-N 244.291 -0.136 50 20 BBGD CC[C@@H](CO)C(=O)NNC(=O)c1ccc[nH]1 779724700 VBPXIGQKWFMXHM-ZETCQYMHSA-N 225.248 -0.206 50 20 BBGD C[C@H](NC(N)=O)C(=O)NNc1ncccc1F 804215752 DSEYHXOZLWCTQA-YFKPBYRVSA-N 241.226 -0.279 50 20 BBGD O=C(NNc1ncncc1F)C1=COCCO1 817083660 QYOJZDZSROVMPO-UHFFFAOYSA-N 240.194 -0.053 50 20 BBGD CNC(=S)N(C)NC(=O)[C@@H](COC)OC 854929692 OPIWRIJNJXGOPH-ZCFIWIBFSA-N 235.309 -0.885 50 20 BBGD COC[C@@H](OC)C(=O)NNc1cc(C)ncn1 857126727 CWLROWYYIKSGTQ-MRVPVSSYSA-N 240.263 -0.110 50 20 BBGD C#CC(C)(C)NC(=O)c1ccc(B(O)O)cc1 863872614 JVGMLXCEAWUJAW-UHFFFAOYSA-N 231.060 -0.492 50 20 BBGD C[C@H](O)CN(C)NC(=O)c1cnns1 910171175 UWARDYAXYYKJBC-YFKPBYRVSA-N 216.266 -0.505 50 20 BBGD O=C1CC[C@@H](C(=O)NNC(=O)C2CC2)CN1 1115892439 UXRBRNHAHBPNPH-SSDOTTSWSA-N 225.248 -0.930 50 20 BBGD CC(=O)NCC(C)(C)C(=O)NNC(C)=O 1118234346 HFNBPCYRGPDLNG-UHFFFAOYSA-N 215.253 -0.684 50 20 BBGD CN1CCN(C)[C@@H](CNC=C(C#N)C#N)C1 1318669114 BPVYPUDTGGQGOD-NSHDSACASA-N 219.292 -0.247 50 20 BBGD O=C(NNC(=O)C(F)F)C(=O)N1CCCC1 1320917125 TXAOYOIGWDKLQX-UHFFFAOYSA-N 235.190 -0.979 50 20 BBGD CNS(=O)(=O)[C@H]1CCN(C(=O)CCl)C1 1327857914 PPDRWNJHMZUTIS-LURJTMIESA-N 240.712 -0.625 50 20 BBGD 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225.208 -0.641 50 20 BBGD CN(NC(=O)C1(O)CCCCC1)C(N)=O 182666806 HGTJPRUNPHGEKK-UHFFFAOYSA-N 215.253 -0.277 50 20 BBGD CCCNS(=O)(=O)NN(C)C(=O)OC 496972131 BLPNETJCAINVBT-UHFFFAOYSA-N 225.270 -0.566 50 20 BBGD C=CC[C@@H](CO)CNCc1ccc(B(O)O)o1 585035859 YQEUFLRFSHIAII-SECBINFHSA-N 239.080 -0.766 50 20 BBGD O=C(NCB(O)O)c1ccc2c(c1)CCO2 585060610 HQXKOMVYAQAHBH-UHFFFAOYSA-N 221.021 -0.637 50 20 BBGD CN(C)C(=O)NNC(=O)[C@@H]1C[C@@H]1C(=O)O 737349500 FJFYXEZCNQCSBM-UHNVWZDZSA-N 215.209 -0.991 50 20 BBGD COc1ccc(C=NNC(=O)C(N)=O)cc1F 751378766 DKBDZIRGBCIZJN-UHFFFAOYSA-N 239.206 -0.230 50 20 BBGD CC[C@@H](CO)C(=O)NNC(=O)NC(C)C 779753936 QXSJJBWZLVLUEH-ZETCQYMHSA-N 217.269 -0.256 50 20 BBGD C[C@@H]1C[C@@H](C(=O)NNC(=O)CN(C)C)CO1 784772405 GLTXWVFCPRCSEK-HTQZYQBOSA-N 229.280 -0.880 50 20 BBGD Cn1cnc(C=NNC(=O)CN2CCCC2=O)c1 794486499 REUWVAANWOKNKW-UHFFFAOYSA-N 249.274 -0.507 50 20 BBGD O=C(Cn1cncn1)NNc1ncccc1F 804219184 SBRPBJGOSSUZJQ-UHFFFAOYSA-N 236.210 -0.045 50 20 BBGD Cn1nncc1NNC(=O)[C@H]1CCCCO1 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WALWLHVFSXKULZ-NSHDSACASA-N 249.075 -0.703 50 20 BBGD C[C@H](O)CN(C)NC(=O)C1(CO)CCOCC1 1334996553 HWJDNHIWNFBQIZ-VIFPVBQESA-N 246.307 -0.881 50 20 BBGD COC(=O)C(=O)NNC(=O)N[C@H](C)CSC 1339817673 KFBFEPNNKBNQAU-RXMQYKEDSA-N 249.292 -0.759 50 20 BBGD N[C@@H](CC(F)F)C(=O)NNc1nc[nH]n1 1580121600 CNEUAGPIMVLOML-VKHMYHEASA-N 220.183 -0.770 50 20 BBGD CCOCC(=O)NNC(=O)c1cc(C)n[nH]1 108906590 CLZDWZSRABNBEQ-UHFFFAOYSA-N 226.236 -0.484 50 20 BBGD CN(C)C(=O)NNC(=O)[C@H]1CCCCO1 153475684 VBJTWOJNISFCPH-SSDOTTSWSA-N 215.253 -0.142 50 20 BBGD COCC[C@H](C)NCc1ccc(B(O)O)cc1 585021772 ZMRZCAHQCZTRNP-JTQLQIEISA-N 237.108 -0.119 50 20 BBGD CC(C)NC(=O)NNC(=O)[C@@]1(O)CCSC1 765724659 QSWVERJZGFFZSK-SECBINFHSA-N 247.320 -0.407 50 20 BBGD CCNC(=O)N(C)NC(=O)[C@@H](C)NC(=O)CC 780712550 YKABVSHAMZRTNU-SSDOTTSWSA-N 244.295 -0.406 50 20 BBGD CNC(=O)NN=C(CCOC)COC 812227126 RJSPPWIKMSOXNU-UHFFFAOYSA-N 203.242 -0.046 50 20 BBGD CCN(CCO)NC(=O)[C@H]1CCCN1C1CC1 823879568 PNLJPQYHWIPCEQ-LLVKDONJSA-N 241.335 -0.041 50 20 BBGD CCNC(=O)N(C)NC(=O)[C@H](C)CNC 831944860 JZSOEDHECALWHN-SSDOTTSWSA-N 216.285 -0.466 50 20 BBGD O=C(NNC(=O)c1ccccc1)N[C@H]1CCNC1 851672327 BIROFUAJBNTYSK-JTQLQIEISA-N 248.286 -0.008 50 20 BBGD CCNC(=O)N(C)NC(=O)[C@H]1CCO[C@H]1CN 852884823 OXYOMRVFJHGKKU-YUMQZZPRSA-N 244.295 -0.957 50 20 BBGD COC/C=C/C(=O)NNC(=O)C(C)C 864490216 BPLSGTFCJQDWJZ-SNAWJCMRSA-N 200.238 -0.008 50 20 BBGD CNC(=O)NNC(=O)[C@@H]1[C@H]2CCC(=O)[C@H]21 906393825 MKFXQVWGOYRDHF-JSKYLQRQSA-N 211.221 -0.828 50 20 BBGD CC(=NNC(=O)C(=O)NC(C)C)c1cnccn1 1318634342 OTHOABAHNMXMHJ-UHFFFAOYSA-N 249.274 -0.159 50 20 BBGD C#CCCCCNC(=O)NNC(=O)C(=O)OC 1319268997 WSTSJXZLKAGXHJ-UHFFFAOYSA-N 241.247 -0.707 50 20 BBGD O=C(CCO)NNC(=O)Nc1ccccn1 1320346472 AKFVOQBXGSPAEX-UHFFFAOYSA-N 224.220 -0.383 50 20 BBGD Cn1ccnc(NNC(=O)c2ccc[nH]2)c1=O 1321133720 QSIAMXMUBXGSBJ-UHFFFAOYSA-N 233.231 -0.135 50 20 BBGD C=CCNC(=S)NNC(=O)c1csnn1 1321626403 YOVYZAOKBGTSSC-UHFFFAOYSA-N 243.317 -0.167 50 20 BBGD COCCNC(=O)/C(C#N)=C/c1cnnn1C 1322368108 VAGCOURRCDMYDV-VMPITWQZSA-N 235.247 -0.515 50 20 BBGD Cc1nn[nH]c1C(=O)NNC(=O)N(C)C 1324885431 BONSRABVFBSTLS-UHFFFAOYSA-N 212.213 -0.971 50 20 BBGD O=C(CCl)N1CCn2ncnc2C1 1330543037 FGOPEGJRAMHBTQ-UHFFFAOYSA-N 200.629 -0.141 50 20 BBGD Cc1n[nH]cc1C(=O)NNC(=O)[C@H]1C[C@H]1F 1346416496 TYJHONGWHCOWDF-CAHLUQPWSA-N 226.211 -0.163 50 20 BBGD COC[C@@H](OC)C(=O)NNc1cccnn1 1347750828 KFVYPVQDDUMRFF-SSDOTTSWSA-N 226.236 -0.419 50 20 BBGD CO[C@@](C)(C(=O)O)C(=O)NNC(=O)NC(C)C 1604463569 REBUFGFLJONQFJ-SECBINFHSA-N 247.251 -0.785 50 20 BBGD O=C(CCn1cncn1)NNc1ncccn1 44717147 TZUFXAYMROWJKW-UHFFFAOYSA-N 233.235 -0.399 50 20 BBGD CS[C@@H](C)C(=O)NNC(=O)c1cnn(C)c1 117679992 QXPOXCVYXADDIL-LURJTMIESA-N 242.304 -0.067 50 20 BBGD Cc1cc(B(O)O)n([C@H]2CCCCO2)n1 169990717 CPFJUNLFQXGHCT-SECBINFHSA-N 210.042 -0.430 50 20 BBGD COC(=O)C1(C(=O)NNc2ncccn2)CC1 274270645 AVKDXCRIIMQRTO-UHFFFAOYSA-N 236.231 -0.127 50 20 BBGD CC#CC(=O)NNC(=O)NCC(F)(F)F 282717981 HFXSNLKUZVJGJM-UHFFFAOYSA-N 223.154 -0.098 50 20 BBGD CNC(=O)NN=C(C)CS(C)(=O)=O 308450553 DHZVZPRHABFNHL-UHFFFAOYSA-N 207.255 -0.664 50 20 BBGD CC(F)(F)CNC(=O)c1cccc(B(O)O)c1 584993033 SDSYKWSYHCUOEQ-UHFFFAOYSA-N 243.018 -0.249 50 20 BBGD C[C@H](NCc1ccc(B(O)O)o1)[C@@H]1CCOC1 585026904 LVPXJJSZABMGDX-DTWKUNHWSA-N 239.080 -0.526 50 20 BBGD O=C(C[C@@H]1OCc2ccccc21)NCB(O)O 585062061 ARDVQLXRIXQYGN-JTQLQIEISA-N 235.048 -0.224 50 20 BBGD CN(C)CC(=O)NNC(=O)[C@H]1CCCCN1C 733359277 CAJLELFQASFKBT-SECBINFHSA-N 242.323 -0.820 50 20 BBGD CCNC(=O)NNC(=O)c1cc(C#N)c[nH]1 748530143 WFDAZRACMXDTIB-UHFFFAOYSA-N 221.220 -0.150 50 20 BBGD CC(C)[C@H](O)C(=O)NNC(=O)NCC1CC1 813424070 FTZGZUMSQUMJCM-QMMMGPOBSA-N 229.280 -0.256 50 20 BBGD CCN1CCOC[C@H]1C(=O)NN(C)[C@H](C)CO 823939023 DVZJUAXNHFIVJE-ZJUUUORDSA-N 245.323 -0.949 50 20 BBGD C[C@@H](CO)N(C)NC(=O)c1ccn(C)c1 823947540 ZANQYDUZVOQZSQ-QMMMGPOBSA-N 211.265 -0.018 50 20 BBGD O=C(CO)NNC(=O)[C@H]1CCCCC1(F)F 827894198 LVBPDZYKNCIJLR-ZCFIWIBFSA-N 236.218 -0.048 50 20 BBGD O=S(=O)(CCl)N[C@H](CO)C1CC1 849378504 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CO[C@@H](C)C(=O)NNC(=S)NC(C)C 1323583809 PFUHQCCKNZJVET-LURJTMIESA-N 219.310 -0.075 50 20 BBGD O=C(NNC(=O)c1cn[nH]c1)N[C@@H]1CCOC1 1329745670 MPWMFBWVJADLJE-SSDOTTSWSA-N 239.235 -0.857 50 20 BBGD Cc1cc2nc(C(=O)O)cn2cc1B(O)O 1857783304 ZKOVOMOSEDIETH-UHFFFAOYSA-N 219.993 -0.979 50 20 BBGD COC[C@@H](O)CCNS(=O)(=O)CCl 230188760 HPHUXHZUXSNJFM-LURJTMIESA-N 231.701 -0.501 50 20 BBGD CCNC(=O)N(C)NC(=O)CCn1cccn1 273028045 SFQVYMOGMDHYDO-UHFFFAOYSA-N 239.279 -0.034 50 20 BBGD O=C(NCB(O)O)c1ccc(-c2cnc[nH]2)cc1 585065010 APFJEJKHMNRRMC-UHFFFAOYSA-N 245.047 -0.182 50 20 BBGD CCOCC(=O)NNC(=O)NOCC(C)C 750490303 INHPKYJDZZLYCO-UHFFFAOYSA-N 233.268 -0.059 50 20 BBGD C#CCCCC(=O)NNc1ccc(C(N)=O)nn1 760849253 AXMFJGPFODTUIT-UHFFFAOYSA-N 247.258 -0.178 50 20 BBGD CC(C)(O)C(=O)NN=Cc1cnc2ncccn12 785458324 WHPPOYYRLULTCO-UHFFFAOYSA-N 247.258 -0.050 50 20 BBGD C[C@H](CO)N(C)NC(=O)c1cnc2n1CCC2 823913580 XHWFPHSIKCLPAW-MRVPVSSYSA-N 238.291 -0.213 50 20 BBGD CC[C@H](CO)C(=O)NNC(=O)[C@H]1CCO[C@@H]1C 843970921 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CCC(=O)NNC(=O)[C@H](C)N(C)CC[C@H](C)O 744406407 JUKKXSQRFDPKDO-IUCAKERBSA-N 245.323 -0.365 50 20 BBGD O=C(Cc1ccncc1)NNC(=O)[C@@H]1CCCO1 747322809 NWFWXXBOWLBRMS-JTQLQIEISA-N 249.270 -0.050 50 20 BBGD Cn1c(C(=O)NNC(=O)C2CCC2)cccc1=O 756987357 CIAGCSWZEMTOMB-UHFFFAOYSA-N 249.270 -0.054 50 20 BBGD C=C[C@@](C)(O)CC(=O)NNC(=O)NC 773847466 KFVRJUPWPAJOSJ-MRVPVSSYSA-N 201.226 -0.726 50 20 BBGD CNC(=O)NNC(=O)[C@@H](C)[C@H](C)COC 812533536 BUQSAPGEHXERKF-RQJHMYQMSA-N 217.269 -0.135 50 20 BBGD CN(NC(=O)[C@H]1CCc2cncn2C1)C(N)=O 816958466 SXARMFKMRNEBPZ-ZETCQYMHSA-N 237.263 -0.513 50 20 BBGD CCN1CCO[C@@H](C(=O)NN(C)C2CC2)C1 819648846 UVOGYRNATUBJOZ-SNVBAGLBSA-N 227.308 -0.168 50 20 BBGD COC[C@H](OC)C(=O)NNC(=O)NCC1CC1 823805191 ZZUUEOJRDBGQKL-QMMMGPOBSA-N 245.279 -0.612 50 20 BBGD C=C[C@@](C)(O)CC(=O)NN(C)[C@H](C)CO 823928080 KGZFAHXEPBOFIQ-PSASIEDQSA-N 216.281 -0.343 50 20 BBGD COc1ccc(NNC(=O)[C@@H]2CC(=O)N2)nc1 832646941 WHUSJIDTVYPCET-ZETCQYMHSA-N 236.231 -0.578 50 20 BBGD Cc1cc(=NNC(=O)[C@@H](C)CC(N)=O)cc[nH]1 862514245 VLJDANSZYMOOET-ZETCQYMHSA-N 236.275 -0.233 50 20 BBGD CCC/C=C/C(=O)NNC(=O)CS(C)(=O)=O 863459538 VONZTTFNQIZDPL-AATRIKPKSA-N 248.304 -0.465 50 20 BBGD O=C(NN1CCCCC1)c1ccc(B(O)O)cc1 863877992 MGLOMMUBFYDBLS-UHFFFAOYSA-N 248.091 -0.503 50 20 BBGD CCOC(=O)NNC(=O)c1cn(C)nc1OC 883955489 UDAWCPFCYDDSRY-UHFFFAOYSA-N 242.235 -0.180 50 20 BBGD CC[C@@H](NNC(=O)c1cccnn1)C(=O)OC 905793207 MKWGJOIPZQPJTO-SSDOTTSWSA-N 238.247 -0.337 50 20 BBGD C[C@H](O)CN(C)NC(=O)[C@@H]1[C@@H]2CCC(=O)[C@H]21 910185044 XFYRONQMUGAKOL-WPYKOPORSA-N 226.276 -0.445 50 20 BBGD CNC(=O)NNC(=O)c1cnc(C)nc1C 1116485444 XRAWPWXEFBQUTI-UHFFFAOYSA-N 223.236 -0.333 50 20 BBGD CN(NC(=O)c1ccn(C(F)F)n1)C(N)=O 1320144686 ZLGADJMFIHWGRV-UHFFFAOYSA-N 233.178 -0.067 50 20 BBGD CC(=O)NNC(=O)C(=O)Nc1ccsc1 1320224262 LNBDXIXIXRUORS-UHFFFAOYSA-N 227.245 -0.146 50 20 BBGD Cn1cc(C(=O)NNC(=O)[C@@H]2CCOC2)cn1 1328625547 GUZMTSIZUYNAQI-SSDOTTSWSA-N 238.247 -0.782 50 20 BBGD COC(OC)C(=O)NNC(=O)C1CCOCC1 1331905542 CVLCKOXXISBYJL-UHFFFAOYSA-N 246.263 -0.821 50 20 BBGD Cn1cncc1C(=O)NNc1ccncn1 1334803775 RPWCEWVFBWYYIA-UHFFFAOYSA-N 218.220 -0.033 50 20 BBGD CCn1cc(C(=O)NN(C)C(=S)NC)nn1 1336513522 XUWFTCGIAFZISQ-UHFFFAOYSA-N 242.308 -0.621 50 20 BBGD NNC(=O)[C@@H]1C[C@]12C(=O)Nc1ccccc12 1340262731 QXSWMFPHCVITCY-WRWORJQWSA-N 217.228 -0.114 50 20 BBGD CC(C)(N)C(=O)NNC(=O)c1ccncc1 1574068066 TYBVYLYGHMISBL-UHFFFAOYSA-N 222.248 -0.420 50 20 BBGD CNNC(=O)Cn1ncc(=O)c2ccccc21 1578745322 ULXLZQMLLLPJIF-UHFFFAOYSA-N 232.243 -0.353 50 20 BBGD O=C(O)CC(=O)NNC(=O)Cc1ccsc1 1601888098 MFDNCURPSPPKAJ-UHFFFAOYSA-N 242.256 -0.087 50 20 BBGD NC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 70187094 AAMYHUOXSZSCPN-UHFFFAOYSA-N 224.176 -0.092 50 20 BBGD CN(NC(=O)CCOCC(F)F)C(N)=O 276833176 OWORSLVVXOLJCN-UHFFFAOYSA-N 225.195 -0.300 50 20 BBGD COC(=O)N(C)NC(=O)[C@@H]1CCCO1 286295289 JMSUXOSHHNGOAW-LURJTMIESA-N 202.210 -0.105 50 20 BBGD CCO/C=C(\C#N)C(=O)NCCNC(C)=O 490781725 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O=C(C[C@@H]1CCOC1)NNC(=O)c1cc[nH]n1 855358705 TVGBAYOCBPYWJR-ZETCQYMHSA-N 238.247 -0.403 50 20 BBGD Cc1cc(CC(=O)NNC(=O)C#CC2CC2)n[nH]1 869017728 QTUGMEKXYWOVSS-UHFFFAOYSA-N 246.270 -0.179 50 20 BBGD NC(=O)[C@@H]1C[C@@H]1C(=O)NNc1ccnc(F)c1 907277704 UXRRTOVBWWSIJU-RQJHMYQMSA-N 238.222 -0.215 50 20 BBGD CCN(CCO)NC(=O)CN(C)C1CCC1 911444156 OZAHBHPJFWFYLC-UHFFFAOYSA-N 229.324 -0.184 50 20 BBGD CCC[C@H](O)C(=O)NNC(=O)C(C)(C)O 935562808 INEWJXIKKMEKPK-LURJTMIESA-N 218.253 -0.934 50 20 BBGD C[C@H](CO)N(C)NC(=O)CO[C@@H]1CCOC1 1119104806 MHLQPGGYPWZTDW-RKDXNWHRSA-N 232.280 -0.864 50 20 BBGD CN(NC(=O)c1ccc(F)nc1)C(N)=O 1319890551 YCAMURGWQVQUEU-UHFFFAOYSA-N 212.184 -0.124 50 20 BBGD CCCC[C@H](NNC(=O)C(=O)OC)C(=O)OC 1320325578 PFVOBBAQMKVROT-ZETCQYMHSA-N 246.263 -0.488 50 20 BBGD Cn1nncc1C=NNC(=O)c1cnccn1 1331288946 OVTHUYSWKJRESM-UHFFFAOYSA-N 231.219 -0.631 50 20 BBGD C[C@H](C(=O)NNc1ccn(C)n1)N(C)C 1336817096 LTBGGCKKXQSGOW-SSDOTTSWSA-N 211.269 -0.187 50 20 BBGD CC(C)C(=O)NNC(=O)C1(F)CCNCC1 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CCC[C@@](C)(O)C(=O)NN(C)C[C@H](C)O 910161366 XYNYOCUSDPBNGQ-WCBMZHEXSA-N 218.297 -0.119 50 20 BBGD C#CCSCC(=O)NN(C)C[C@@H](C)O 910183165 OCBOPOVKPGZVIV-MRVPVSSYSA-N 216.306 -0.303 50 20 BBGD CCCNC(=S)NNC(=O)[C@@H]1CCC(=O)N1 913164556 XAGKCHSPFOQBBO-LURJTMIESA-N 244.320 -0.830 50 20 BBGD COc1nccnc1NNC(=O)c1cnnn1C 1321652138 DJBGEYBZLNRLIT-UHFFFAOYSA-N 249.234 -0.629 50 20 BBGD C[C@@H](NNC(=O)[C@@H]1CCNC1=O)C(F)(F)F 1329521858 KUKMOFDXJWUTBT-RFZPGFLSSA-N 239.197 -0.306 50 20 BBGD CC(=O)NNC(=O)CCn1cc([N+](=O)[O-])cn1 1338019441 BUPNOOVFEZDTBI-UHFFFAOYSA-N 241.207 -0.651 50 20 BBGD CCc1cc(C(=O)NN(C)C[C@@H](C)O)nn1C 1350778269 KGVDFFFDWROFII-MRVPVSSYSA-N 240.307 -0.060 50 20 BBGD CC(C)(O)C(=O)NNC(=O)[C@H]1CC[C@H]1C(=O)O 1590882687 MSHWHUDQPXCFKG-NTSWFWBYSA-N 244.247 -0.985 50 20 BBGD C[C@@H](CC(=O)O)CC(=O)NN(C)[C@H](C)CO 1592391308 HKRGZMPXZIDXBF-HTQZYQBOSA-N 232.280 -0.169 50 20 BBGD Cc1ccc(O)c(C=NNC(=O)C(=O)O)n1 1600464527 FFBIKCPDFYRJKR-UHFFFAOYSA-N 223.188 -0.370 50 20 BBGD CC(=NNC(=O)NCC(=O)O)c1cn[nH]c1 1609553138 IHXIJQISPMVTRG-UHFFFAOYSA-N 225.208 -0.483 50 20 BBGD CCN1C(=O)[C@@H]2CN(C(=O)CCl)C[C@@H]2C1=O 409424062 BBXSSGRYLJUNFL-KNVOCYPGSA-N 244.678 -0.312 50 20 BBGD C[C@@H](CC#N)N(C)C(=O)c1cccc(B(O)O)c1 584942872 NPKHJRQLRKWSPX-VIFPVBQESA-N 246.075 -0.259 50 20 BBGD O=C(c1ccc(B(O)O)c(F)c1)N1CCC1 584945126 OEUDIBLMPIZVNW-UHFFFAOYSA-N 223.012 -0.649 50 20 BBGD CC(C)(CO)CCNCc1ccc(B(O)O)o1 585042611 AMXQRDFXCRKOAU-UHFFFAOYSA-N 241.096 -0.542 50 20 BBGD O=C(NCB(O)O)C1(c2ccccc2F)CC1 585059527 QNEXFLHDAJOLJP-UHFFFAOYSA-N 237.039 -0.015 50 20 BBGD O=C(NCB(O)O)c1ccc2nccn2c1 585061723 YWOPAQWGDHABOX-UHFFFAOYSA-N 219.009 -0.924 50 20 BBGD CC(=O)N[C@H](C)C(=O)NNc1cc(C)ncn1 734253708 XLYWSMGNNFHVJO-SSDOTTSWSA-N 237.263 -0.247 50 20 BBGD Cn1nccc1C(=O)NNC(=O)c1ccccn1 745415684 UIERICRSSPOADV-UHFFFAOYSA-N 245.242 -0.110 50 20 BBGD CNC(=S)NNC(=O)Cc1ccncc1 747669880 BARQFOLZJJTUJQ-UHFFFAOYSA-N 224.289 -0.251 50 20 BBGD COCCNC(=O)/C(C#N)=C/c1cnn(C)n1 821027065 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CC(=O)NNC(=O)Nc1cc(C(=O)O)ccn1 1589150499 UJUDUEHXFXTADU-UHFFFAOYSA-N 238.203 -0.048 50 20 BBGD CCN(CCO)NC(=O)[C@H]1C[C@H]1C(=O)O 1596340654 JNGVODQXEDVPJQ-NKWVEPMBSA-N 216.237 -0.948 50 20 BBGD Cc1nc([N+](=O)[O-])cn1CCC(=O)NN 39123351 ZNMTYXJMACIXGU-UHFFFAOYSA-N 213.197 -0.520 50 20 BBGD CCCNC(=O)NNC(=O)C(=O)NC1CC1 49266240 ZSYNCGRJSIIZAM-UHFFFAOYSA-N 228.252 -0.995 50 20 BBGD COc1ccnc(NNC(=O)[C@@H]2CCOC2)n1 66914718 WYAVIEBUTZRZIB-SSDOTTSWSA-N 238.247 -0.035 50 20 BBGD COC(=O)C[C@@H](C)CC(=O)NN(C)C(N)=O 289382638 CSYNKQJFCOVOLN-LURJTMIESA-N 231.252 -0.383 50 20 BBGD O=S(=O)(CCl)N1CCN2CC[C@H]1C2 306936312 JJSAGYYGZLKQPJ-ZETCQYMHSA-N 224.713 -0.098 50 20 BBGD C[C@H](O)C1(NC(=O)c2cccc(B(O)O)c2)CC1 585006074 QWXWOYDBXIFCMZ-QMMMGPOBSA-N 249.075 -0.990 50 20 BBGD C=CCNC(=S)NNC(=O)[C@@H]1C[C@H]1C(=O)O 736105607 ALJWOPOVHYKUAS-PHDIDXHHSA-N 243.288 -0.612 50 20 BBGD O=C(NN=Cc1ccc[nH]1)C(=O)NC1CC1 744823735 CMFHIEMBRAWJTC-UHFFFAOYSA-N 220.232 -0.257 50 20 BBGD Cc1cc(C(=O)NNC(=O)C(C)(C)O)n[nH]1 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O=C(NCB(O)O)c1cc(F)cc([N+](=O)[O-])c1 585060820 ZLHJAFPAXILQGG-UHFFFAOYSA-N 241.971 -0.524 50 20 BBGD CNC(=O)C1(C(=O)NNC(=O)N(C)C)CCC1 729968007 DVQCWUCTIZUPFX-UHFFFAOYSA-N 242.279 -0.795 50 20 BBGD CCNC(=O)NNC(=O)COC[C@@H]1CCCO1 733255526 BIHAFGJOICXMJW-QMMMGPOBSA-N 245.279 -0.468 50 20 BBGD O=C(NNc1cnccn1)[C@@H]1CCOC1 734244295 DLLKREMTUWXXCJ-SSDOTTSWSA-N 208.221 -0.044 50 20 BBGD CN(NC(=O)c1cnc2ccccn12)C(N)=O 778412258 OQVVREGQUGONQL-UHFFFAOYSA-N 233.231 -0.010 50 20 BBGD Cc1cnn(C)c1C(=O)NN(C)[C@@H](C)CO 823918561 YHMHFRJDMODHJV-QMMMGPOBSA-N 226.280 -0.314 50 20 BBGD CC(=O)C1(C(=O)NNC(=O)c2cc[nH]n2)CC1 855355660 CXODQAZMWCYFGR-UHFFFAOYSA-N 236.231 -0.460 50 20 BBGD C=CCCC(=O)NNC(=O)[C@@H]1CCC(=O)N1 862453380 LIXXMMFBPAAGMW-ZETCQYMHSA-N 225.248 -0.621 50 20 BBGD COC(=O)NNC(=O)[C@@H](NC=O)C(C)C 863853917 GJACGOKLZYYOBY-LURJTMIESA-N 217.225 -0.856 50 20 BBGD CC[C@H](NC(C)=O)C(=O)NN(C)CCOC 868242587 RXEGKCQGUDCWSJ-VIFPVBQESA-N 231.296 -0.490 50 20 BBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)C1CSC1 869068702 VDWJVOSGHJRNEW-POYBYMJQSA-N 244.316 -0.078 50 20 BBGD C=CCNC(=S)NNC(=O)[C@@H](C)N(C)C 873766108 YBEXUMWWDHSXOU-SSDOTTSWSA-N 230.337 -0.382 50 20 BBGD O=C(NN=C1COCCOC1)c1ncon1 901285107 DYQHDOXKBVHJDW-UHFFFAOYSA-N 226.192 -0.798 50 20 BBGD CCCNC(=O)NNC(=O)[C@@H]1[C@@H]2CCC(=O)[C@H]21 906426702 SQCFIDPJVLCYMK-BWVDBABLSA-N 239.275 -0.048 50 20 BBGD CCc1cc(C(=O)N2CC[C@H](B(O)O)C2)no1 1262159878 MCUFCFVPHDWDAD-ZETCQYMHSA-N 238.052 -0.074 50 20 BBGD O=C1C[C@@H](C(=O)NNC(=O)NC2CC2)CCN1 1323870230 FCJBYWAQMWVSAV-LURJTMIESA-N 240.263 -0.995 50 20 BBGD CNC(=S)N(C)NC(=O)c1ncc[nH]1 1330860496 BORGNXKTOPNDOP-UHFFFAOYSA-N 213.266 -0.509 50 20 BBGD Cc1csc(C(=O)NNC(=O)CN)n1 1331462733 YRUGWSIVXKCNDO-UHFFFAOYSA-N 214.250 -0.829 50 20 BBGD O=C(CCO)NN=Cc1cnc2ncccn12 1341145144 OREOUPXOEFDTAV-UHFFFAOYSA-N 233.231 -0.438 50 20 BBGD C[C@H](CN)C(=O)NNC(=O)Cc1cccnc1 1574066943 BNXNLKDLCNFAEP-MRVPVSSYSA-N 236.275 -0.634 50 20 BBGD CCN(CCO)NC(=O)[C@]1(C(=O)O)C[C@H]1C 1589733652 FHZNIADNSCSMCO-XCBNKYQSSA-N 230.264 -0.557 50 20 BBGD CCOC(=O)NNC(=O)[C@H]1C[C@@H](C(=O)O)C1 1596664622 BKZJVZHJXPMAKO-OLQVQODUSA-N 230.220 -0.126 50 20 BBGD C[C@@H](C(=O)O)C(=O)NNC(=O)C1CCOCC1 1602804702 JHKVEKFFQAXQGV-ZCFIWIBFSA-N 244.247 -0.719 50 20 BBGD COC(=O)[C@H](Cl)CS(=O)(=O)O 1772508963 ZTROEXDHWOOFQB-GSVOUGTGSA-N 202.615 -0.345 50 20 BBGD O=S(=O)(CCl)N(CCO)C1CC1 82511893 RGEFISRFHCFVJP-UHFFFAOYSA-N 213.686 -0.031 50 20 BBGD CCn1nc(C)c(C(=O)NNC(=O)C2CC2)n1 292741774 QTJXCLAEDRKDTI-UHFFFAOYSA-N 237.263 -0.223 50 20 BBGD CCO[C@@H](C)CNCc1ccc(B(O)O)cc1 585033057 WGHPWBUOTUMMKY-JTQLQIEISA-N 237.108 -0.119 50 20 BBGD C[C@@H](C(=O)NCB(O)O)c1ccsc1 585059808 BICGZKGFUSAZDW-ZCFIWIBFSA-N 213.067 -0.020 50 20 BBGD CC(C)S(=O)(=O)NNC=C(C#N)C#N 749838810 ZWYCFORODHIDME-UHFFFAOYSA-N 214.250 -0.250 50 20 BBGD CCOC(=O)NNC(=O)C(C)(C)C(N)=O 767403512 NFLANOSJUBZGCC-UHFFFAOYSA-N 217.225 -0.725 50 20 BBGD Cc1cc(C(=O)NNC(=O)c2cncn2C)n[nH]1 809723567 KRMZKFUEDKQJCM-UHFFFAOYSA-N 248.246 -0.474 50 20 BBGD CO[C@H](C(=O)NN(C)[C@@H](C)CO)C1CC1 823927787 GIUXRWJQEMWBTQ-CBAPKCEASA-N 216.281 -0.245 50 20 BBGD COC(=O)C[C@H](C)C(=O)NN(C)[C@H](C)CO 823945954 AYIWYUNWAFTMDL-JGVFFNPUSA-N 232.280 -0.471 50 20 BBGD C[C@@H]1[C@H](O)CCN1S(=O)(=O)CCl 849396512 IVFDYBVGJHULDY-PHDIDXHHSA-N 213.686 -0.032 50 20 BBGD O=C1NCC[C@@H]1C(=O)NNc1ccc(F)cn1 874647228 OTOTZDMIZCTOJB-ZETCQYMHSA-N 238.222 -0.200 50 20 BBGD Cc1cc(C(=O)NNC(=O)NCC(F)F)n[nH]1 879759657 VYZLCJDFYCEFQP-UHFFFAOYSA-N 247.205 -0.073 50 20 BBGD C=CCCC(=O)NNC(=O)CN1CCCC1=O 913730951 OMEJOLKMWBQSNU-UHFFFAOYSA-N 239.275 -0.278 50 20 BBGD Cn1cnc(CNC(=O)NNc2cccnn2)n1 1116441850 VVGOMULFQJHGIB-UHFFFAOYSA-N 248.250 -0.569 50 20 BBGD C[C@@H](Cc1cnc[nH]1)C(=O)NNc1cnnn1C 1118910573 JLHMHMBTCASRMM-ZETCQYMHSA-N 249.278 -0.140 50 20 BBGD CCn1ccc(C(=O)N2CC[C@@H](B(O)O)C2)n1 1119598684 VPGBFIPWKXQCKN-MRVPVSSYSA-N 237.068 -0.408 50 20 BBGD O=C1CC[C@H](C(=O)NN=Cc2nccs2)N1 1261833268 RQFFCDXMWJOXHV-ZCFIWIBFSA-N 238.272 -0.128 50 20 BBGD CC(C)NC(=O)NNC(=O)[C@@H]1CCC(=O)N1 1318049810 UAUYFTZPCFXFQE-LURJTMIESA-N 228.252 -0.996 50 20 BBGD Cn1nncc1NNC(=O)Cn1ccccc1=O 1324568674 JQMKBUSZFWAWMA-UHFFFAOYSA-N 248.246 -0.880 50 20 BBGD Cn1nncc1NNC(=O)[C@@H]1CCC(=O)C1 1329009233 QCNOZLPHKFVOJK-ZCFIWIBFSA-N 223.236 -0.373 50 20 BBGD O=C(CN1C(=O)CCC1=O)NNc1cccnn1 1346272288 MCFCYRPLZWGOHD-UHFFFAOYSA-N 249.230 -0.931 50 20 BBGD Cc1nc(C(=O)NNC(=O)[C@@H]2CCCO2)c[nH]1 294778083 YUQNTZXHSAMLCX-QMMMGPOBSA-N 238.247 -0.342 50 20 BBGD CCO[C@H]1C[C@@H]1C(=O)Nc1cccc(B(O)O)c1 584910877 RVKUAIVACDEEJK-QWRGUYRKSA-N 249.075 -0.270 50 20 BBGD CCN1CC[C@@H](NCc2ccc(B(O)O)o2)C1 585046178 OUCGRGFMDREBOO-SECBINFHSA-N 238.096 -0.857 50 20 BBGD C[C@H]1C[C@H](NCc2ccccc2B(O)O)CO1 585048440 PLKKYFHMIBUNLU-ONGXEEELSA-N 235.092 -0.367 50 20 BBGD Cc1csc(S(=O)(=O)NCB(O)O)c1 585056828 BUAYVAFTYUWRCM-UHFFFAOYSA-N 235.095 -0.653 50 20 BBGD CN(C)C(=O)NNC(=O)[C@@H](O)C(C)(C)C 764934323 MFLNXBLEGFUBHE-ZCFIWIBFSA-N 217.269 -0.304 50 20 BBGD COc1cccc(C=NNC(=O)CO)c1O 776781091 XJUVGNANWUQAPT-UHFFFAOYSA-N 224.216 -0.157 50 20 BBGD COc1ccc(C=NNC(=O)C(N)=O)cc1C 812377868 ATTKVCAPDQYWLZ-UHFFFAOYSA-N 235.243 -0.061 50 20 BBGD CCN(CCO)NC(=O)Cc1cnn(C)c1 823856757 ZDDMJDJNZURJOA-UHFFFAOYSA-N 226.280 -0.692 50 20 BBGD C[C@@H](CO)N(C)NC(=O)C[C@](C)(O)C1CC1 823939336 JEAXWHBGPISWML-KWQFWETISA-N 230.308 -0.119 50 20 BBGD CC[C@H](C(=O)NN(C)[C@@H](C)CO)N(C)C 823945944 ATSLPXSQDRPRPF-DTWKUNHWSA-N 217.313 -0.330 50 20 BBGD C[C@@H](C(=O)O)n1cccc1C=NNC(=O)CO 833406945 KTXAZZFSTHIOHD-ZETCQYMHSA-N 239.231 -0.424 50 20 BBGD CC(C)(C)C(=O)NNC(=O)[C@H]1CC[C@H]1C(N)=O 847345764 MUGQOHIISVLLJC-RQJHMYQMSA-N 241.291 -0.309 50 20 BBGD CN1C(=O)CCC[C@H]1C(=O)NNc1cccnn1 907330359 UEUZFBFZGGKAOD-QMMMGPOBSA-N 249.274 -0.069 50 20 BBGD COC(=O)NCCCC(=O)NN(C)C[C@@H](C)O 910167083 HDTIQGZBLPARTK-MRVPVSSYSA-N 247.295 -0.534 50 20 BBGD CCC1(CNC(=O)NNC(=O)C(=O)OC)CC1 1116234973 LKDINSGTPQTKGT-UHFFFAOYSA-N 243.263 -0.320 50 20 BBGD COCCN(C)NC(=O)c1cccc[n+]1[O-] 1327094080 ANOSGSGDRJHMCL-UHFFFAOYSA-N 225.248 -0.457 50 20 BBGD C#CCCCNC(=O)NNC(=O)c1cn[nH]c1 1328789585 SWIUNYPUTPXLTI-UHFFFAOYSA-N 235.247 -0.233 50 20 BBGD COC(=O)NNC(=O)CSCC(=O)O 1604345125 QGDMMPWYLMDMSX-UHFFFAOYSA-N 222.222 -0.809 50 20 BBGD CN(C)S(=O)(=O)c1ccc(C(=O)NN)o1 37390166 WCCPVYHJRKAXCR-UHFFFAOYSA-N 233.249 -0.867 50 20 BBGD C=C[C@](C)(CC)C(=O)NNC(=O)CO 135168652 AZNGRCKWXJSRDA-SECBINFHSA-N 200.238 -0.272 50 20 BBGD CN(C)c1cnc(C(=O)NNC(=O)C2CC2)cn1 770467311 ZCQGXQVQHIRASJ-UHFFFAOYSA-N 249.274 -0.286 50 20 BBGD CC(C)[C@H]1CC(=NNC(=O)C(N)=O)CCO1 776758830 YUPYNMFSOVTNAK-MRVPVSSYSA-N 227.264 -0.221 50 20 BBGD Cn1nnc(CNC(=O)NNc2ccccn2)n1 787438202 ZLWDNIAIJKSIBD-UHFFFAOYSA-N 248.250 -0.569 50 20 BBGD CC(=O)NNC(=O)[C@@H](NC(N)=O)C(C)(C)C 800321475 SJADVHSCVKLZNM-ZCFIWIBFSA-N 230.268 -0.763 50 20 BBGD C[C@](O)(C(=O)NNC(=O)c1ccc[nH]1)C1CC1 804182617 AFMFIWDTMWUWJI-LLVKDONJSA-N 237.259 -0.063 50 20 BBGD Cc1cc(C)nc(NNC(=O)C[C@H]2CC(=O)N2)n1 820523160 GBJDWYOKKBPTLP-MRVPVSSYSA-N 249.274 -0.185 50 20 BBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NCCF 826693181 RYIDZTBICZAQHV-BQBZGAKWSA-N 233.243 -0.289 50 20 BBGD COC/C(C)=C\C(=O)NN(C)C(N)=O 845907771 SGDDDIVLAAEICS-XQRVVYSFSA-N 201.226 -0.379 50 20 BBGD O=S(=O)(CCl)N1CC[C@@](F)(CO)C1 849392124 BVIBWQYKFWTMBJ-LURJTMIESA-N 231.676 -0.081 50 20 BBGD C[C@H](O)CN(C)NC(=O)c1cnsn1 910170400 KCSWTGDKIQJZHW-YFKPBYRVSA-N 216.266 -0.505 50 20 BBGD CCN(CCO)NC(=O)[C@@H]1[C@@H]2CCC(=O)[C@H]21 911443731 LGNTXBJXLFSDFS-FKTZTGRPSA-N 226.276 -0.443 50 20 BBGD CNC(=O)NN=Cc1c(CO)cnc(C)c1O 920377561 GIMFEFFZOVGDPJ-UHFFFAOYSA-N 238.247 -0.149 50 20 BBGD C=CCNC(=S)NNC(=O)[C@](C)(O)CC 929242576 MSFUYTMBTQBDQY-SECBINFHSA-N 231.321 -0.171 50 20 BBGD O=C(NNc1cccnn1)c1cnc[nH]1 1116562748 OTXSVGWNUZFAMR-UHFFFAOYSA-N 204.193 -0.043 50 20 BBGD CCNC(=O)NNC(=O)[C@@H](C)[C@@H]1CCC(=O)N1 1331326186 RLYGYGOHWIAAGF-BQBZGAKWSA-N 242.279 -0.749 50 20 BBGD C[C@@H]1CN2CCN1C[C@@H]2C(=O)NN(C)C1CC1 1347193866 HDPAEAHKFGJGEC-MWLCHTKSSA-N 238.335 -0.500 50 20 BBGD CCO/C=C(/C#N)C(=O)N[C@H](COC)C(=O)O 1605618147 GUHCWSXNMOLNDN-GRKOMRHMSA-N 242.231 -0.354 50 20 BBGD C[C@@H]1CCCC[C@@H]1NC(=O)NNC(=O)C(=O)O 1609853223 UCQBPYSEPRCFSV-RQJHMYQMSA-N 243.263 -0.020 50 20 BBGD CC(=O)NNS(=O)(=O)C[C@@H]1CCCCO1 163405243 QTNDYKANJFNDGS-QMMMGPOBSA-N 236.293 -0.474 50 20 BBGD CCOC(=O)NCC(=O)NNC(=O)NC(C)C 279694824 QGKOSHKRCIQGFR-UHFFFAOYSA-N 246.267 -0.529 50 20 BBGD COC(=O)N(C)NC(=O)[C@H](O)C(C)C 286306747 KCVCIMMAFFMTSO-ZCFIWIBFSA-N 204.226 -0.267 50 20 BBGD COC(=O)N(C)NC(=O)C1(C(=O)OC)CC1 286386031 OKSZDQHHUBLBSH-UHFFFAOYSA-N 230.220 -0.331 50 20 BBGD OB(O)c1ccc(CN[C@H]2CCCC[C@@H]2O)cc1 585036660 LAFVHERTOAIWKV-STQMWFEESA-N 249.119 -0.241 50 20 BBGD O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)NCB(O)O 585057122 MHJXZFPRFVHVHR-CIUDSAMLSA-N 211.070 -0.059 50 20 BBGD Cc1ccc(C)c(OCC(=O)NCB(O)O)c1 585057423 UGAVSOUXVMUZQH-UHFFFAOYSA-N 237.064 -0.190 50 20 BBGD COc1ccnc(NNC(=O)c2cnc[nH]2)n1 725883115 BNNZZEIETMEEIR-UHFFFAOYSA-N 234.219 -0.035 50 20 BBGD CCNC(=O)NNC(=O)[C@@H]1C[C@@H]1C(=O)O 737124172 YWQQGKBFYDAOBJ-UHNVWZDZSA-N 215.209 -0.943 50 20 BBGD CCNC(=O)NN=C(C)CN1C(=O)CCC1=O 754943614 QYWQHCRVKBZTIA-UHFFFAOYSA-N 240.263 -0.170 50 20 BBGD CC(C)[C@@H]1CC(=NNC(=O)C(N)=O)CCO1 776758831 YUPYNMFSOVTNAK-QMMMGPOBSA-N 227.264 -0.221 50 20 BBGD CC(=NNC(=O)CO)c1cnn(C)c1C 778543680 PCXKLIPVVSAAAP-UHFFFAOYSA-N 210.237 -0.439 50 20 BBGD CN(NC(=O)CCC(C)(C)O)C(N)=O 787486509 XFIWIQLFXYGTBP-UHFFFAOYSA-N 203.242 -0.421 50 20 BBGD CCCOCC(=O)NNC(=O)C(C)(C)O 787946538 VGFNHHMEFATVGF-UHFFFAOYSA-N 218.253 -0.669 50 20 BBGD CNC(=O)NNC(=O)C(C)(C)N1CCOCC1 801139787 QGCMLCISJVKGBN-UHFFFAOYSA-N 244.295 -0.943 50 20 BBGD CCN(CCO)NC(=O)[C@@H](C)CC(=O)OC 823865661 WGUPWGWZNJDFRW-QMMMGPOBSA-N 232.280 -0.469 50 20 BBGD CCNC(=O)CCC(=O)NN(C)C(=S)NC 854924279 SNVLCFNHRVBIME-UHFFFAOYSA-N 246.336 -0.630 50 20 BBGD CC[C@H](C#N)C(=O)NNC(=O)c1cc[nH]n1 855354847 KLUGUAJIRBYHDK-ZCFIWIBFSA-N 221.220 -0.280 50 20 BBGD COC/C=C/C(=O)NNC(=O)Cc1cccnc1 865166875 FMYLVSAXIGXDBJ-HWKANZROSA-N 249.270 -0.026 50 20 BBGD CC(C)NC(=S)NNC(=O)[C@@H]1CCCN1C 1119592604 GBCYQBMAGFMJPA-QMMMGPOBSA-N 244.364 -0.016 50 20 BBGD O=C(NNC(=O)[C@@H]1C[C@@H]1F)NC1CC1 1263712397 CGMLHHXLACKWHH-RITPCOANSA-N 201.201 -0.163 50 20 BBGD CNC(=O)C(=O)NNc1ccnc(F)c1 1321669469 DOFJMMCNVVWUDN-UHFFFAOYSA-N 212.184 -0.590 50 20 BBGD N#CCCNC(=O)NNC(=O)Cc1cccnc1 1326658024 XTNHKDCKCSDQSP-UHFFFAOYSA-N 247.258 -0.132 50 20 BBGD CO[C@H](C)CNC(=O)NNC(=O)c1cn[nH]c1 1331316078 UHXFKVWHSZRWIC-ZCFIWIBFSA-N 241.251 -0.611 50 20 BBGD CNC(=O)NNC(=O)CCc1cncn1C 1344377129 BJINVFOUJARKLY-UHFFFAOYSA-N 225.252 -0.687 50 20 BBGD COC(=O)c1cnc(Cl)c(B(O)O)c1 238330095 BWJCBRITHBCDQN-UHFFFAOYSA-N 215.401 -0.799 50 20 BBGD CCNC(=O)N(C)NC(=O)[C@@H]1CCCC(=O)N1 272484000 BLVZBKZLUFLVTN-ZETCQYMHSA-N 242.279 -0.652 50 20 BBGD NC(=O)NNC(=S)NCC(F)(F)F 307387743 FAGAHZSKYZQNEJ-UHFFFAOYSA-N 216.188 -0.404 50 20 BBGD COC(=O)NCC(=O)NNC(=O)C(C)C 490770412 LYEDDYQMXUCWON-UHFFFAOYSA-N 217.225 -0.854 50 20 BBGD CCOCCNCc1ccc(B(O)O)cc1F 585032875 PGKOLUVODBWCRO-UHFFFAOYSA-N 241.071 -0.368 50 20 BBGD CC[C@](C)(CO)NCc1ccc(B(O)O)o1 585032884 PNDWENNQZJSFQV-SNVBAGLBSA-N 227.069 -0.790 50 20 BBGD Cc1cccnc1/C=C/C(=O)NCB(O)O 585062076 CLCHHUYJFLEVQN-SNAWJCMRSA-N 220.037 -0.469 50 20 BBGD CCNC(=O)NNC(=O)[C@]1(C)CCOC1 755162397 LQEAENJMGQNBDB-SECBINFHSA-N 215.253 -0.237 50 20 BBGD Cn1cncc1C=NNC(=O)C(=O)N1CCCC1 755679073 BSEURGOXUUKHBN-UHFFFAOYSA-N 249.274 -0.507 50 20 BBGD Cc1n[nH]cc1C(=O)NN=C1CCN(C)C1=O 761815857 JZRVLWRQHNBFHH-UHFFFAOYSA-N 235.247 -0.334 50 20 BBGD C=CCNC(=S)NNC(=O)c1cnsn1 798305339 XNWWSJMOMUZABY-UHFFFAOYSA-N 243.317 -0.167 50 20 BBGD COCCCOCC(=O)NNc1ccncn1 857521034 YIKNVESWWAFMIY-UHFFFAOYSA-N 240.263 -0.027 50 20 BBGD C=C[C@H](C)NC(=O)NNC(=O)[C@H]1CCC(=O)N1 858292533 AUETUHLCSZEEGH-NKWVEPMBSA-N 240.263 -0.830 50 20 BBGD COC(=O)N(C)NC(=O)N[C@H](C)C(=O)N(C)C 875097322 VMDIIRFRTNWCMD-ZCFIWIBFSA-N 246.267 -0.625 50 20 BBGD CC(C)C1(C(=O)NNC(=O)CN(C)C)COC1 894133524 CQYQTNSWXZYWPM-UHFFFAOYSA-N 243.307 -0.632 50 20 BBGD O=C(NNC(=O)c1ccc[nH]1)c1cn[nH]c1 916131428 GZIJENIZKVQPNJ-UHFFFAOYSA-N 219.204 -0.187 50 20 BBGD CCNC(=O)NNC(=O)c1ccc(O)nc1 920858701 IOTXWMHTDVPBQF-UHFFFAOYSA-N 224.220 -0.249 50 20 BBGD O=C(NCC1CC1)NNC(=O)c1ncc[nH]1 1118571002 BJSLVRMBVKDLPQ-UHFFFAOYSA-N 223.236 -0.236 50 20 BBGD CN(NC(=O)c1ccnn1CC(F)F)C(N)=O 1320989630 OBINKLQYLSRJOO-UHFFFAOYSA-N 247.205 -0.197 50 20 BBGD CN(C)N(C(=O)C1CC1)[C@H]1CCS(=O)(=O)C1 1321497975 PFETYXISTWIMJI-VIFPVBQESA-N 246.332 -0.111 50 20 BBGD COCC(=NNC(=O)C(N)=O)C1CCOCC1 1324264384 BPJUFPBYVUCYDW-UHFFFAOYSA-N 243.263 -0.983 50 20 BBGD Cn1nncc1NNC(=O)[C@@H]1[C@@H]2CCC(=O)[C@H]21 1333840233 FJVLAXVMWMTTPZ-HFHMMWAZSA-N 235.247 -0.517 50 20 BBGD O=C1CC[C@H](C(=O)NNc2cccnn2)CN1 1342264560 YBUNVBBMWIEJGK-ZETCQYMHSA-N 235.247 -0.554 50 20 BBGD Cc1nnc(NNC(=O)CC(C)(C)N)nc1O 1574197986 NTZNBXJSBUDLRX-UHFFFAOYSA-N 240.267 -0.544 50 20 BBGD C[C@H](C(=O)O)C(=O)NNc1nc2ccccn2n1 1588576727 WFRTUBZORHLGBD-LURJTMIESA-N 249.230 -0.107 50 20 BBGD Cc1oc(C(=O)O)cc1C(=O)NN(C)C(N)=O 1600826506 VBBLGZMIXFKDPN-UHFFFAOYSA-N 241.203 -0.058 50 20 BBGD Cn1nncc1NNC(=O)CCCCC(=O)O 1601044746 MTXJZXWIUOJXNL-UHFFFAOYSA-N 241.251 -0.097 50 20 BBGD CCn1ccnc1C=NNC(=O)C(=O)O 1610084032 BMYRCTDLSQKSNA-UHFFFAOYSA-N 210.193 -0.562 50 20 BBGD CCOC(=O)C(C)(C)C(=O)NNC(=O)OC 274290619 MKZKKLONRQZFRE-UHFFFAOYSA-N 232.236 -0.037 50 20 BBGD COC(=O)C1(C(=O)NNC(=O)C2CC2)CC1 274328093 VKOTXGAHICCMBQ-UHFFFAOYSA-N 226.232 -0.503 50 20 BBGD O=C(c1cccc(B(O)O)c1)n1cccc1 309407577 WHGNCRXDIHUGMV-UHFFFAOYSA-N 215.017 -0.144 50 20 BBGD CC(C)(O)CCNCc1cccc(B(O)O)c1 585037317 YTWLAUCHAUTUPP-UHFFFAOYSA-N 237.108 -0.383 50 20 BBGD O=C(NCB(O)O)c1cccc(-n2cccn2)n1 585061372 QWAKFQLDYDVHQQ-UHFFFAOYSA-N 246.035 -0.991 50 20 BBGD O=C(O)c1cc(N2CC[C@@H](B(O)O)C2)ccn1 585079154 STCLXMBDJJKTID-SSDOTTSWSA-N 236.036 -0.167 50 20 BBGD O=C(CN1CCCC1=O)NN=C1CCOC1 731925128 QLIYANLYSOBUIK-UHFFFAOYSA-N 225.248 -0.499 50 20 BBGD O=C(NNC(=O)c1ncccn1)c1ccccn1 743283140 XFEPBZKXAISVIM-UHFFFAOYSA-N 243.226 -0.054 50 20 BBGD COC(=O)NNC(=O)CN(C)C(=O)C1CC1 765842775 NYEYZJBFGFWZJU-UHFFFAOYSA-N 229.236 -0.758 50 20 BBGD C[C@H](CO)N(C)NC(=O)[C@H]1C[C@@H](O)C1 823913417 UFPPPQVBUJPBRP-PRJMDXOYSA-N 202.254 -0.899 50 20 BBGD Cc1ccn(CC(=O)NN(C)[C@H](C)CO)n1 823918582 YOWLNVNMKHYRCV-SECBINFHSA-N 226.280 -0.465 50 20 BBGD COc1ccc(C(=O)NNC(=O)N(C)C)nn1 1116110991 CFLADKJZGOCGIP-UHFFFAOYSA-N 239.235 -0.599 50 20 BBGD CCNC(=O)N(C)NC(=O)CO[C@@H]1CCOC1 1116610943 NDJAUCBCSNLWCB-MRVPVSSYSA-N 245.279 -0.516 50 20 BBGD COC(=O)NNC(=O)c1cc(OC)n(C)n1 1320716574 AWDGZIKWNDOUHV-UHFFFAOYSA-N 228.208 -0.571 50 20 BBGD COC(=O)C(=O)NN=C(C)[C@H]1CCCO1 1323706069 PJKHTQMWHPIKTG-SSDOTTSWSA-N 214.221 -0.170 50 20 BBGD CC(C)(O)C(=O)NNC(=O)c1cccc(O)n1 1325914600 LDHXNSMCISTSMZ-UHFFFAOYSA-N 239.231 -0.681 50 20 BBGD O=C(NNC(=O)[C@H]1C[C@@H](O)C1)C1CCOCC1 1332267543 WSPHFTFVLHGGIX-DTORHVGOSA-N 242.275 -0.669 50 20 BBGD COCCONC(=O)NNc1ncncc1F 1343848681 LNCVCGOWYKQSHZ-UHFFFAOYSA-N 245.214 -0.180 50 20 BBGD CO[C@@H](C(=O)O)C(=O)NNc1ncccc1C 1593911252 JELRIUPEPCMLFS-SSDOTTSWSA-N 239.231 -0.067 50 20 BBGD CN(NC(=O)[C@H]1CSCCS1)C(N)=O 272145166 FBWLDFRSLSIXJQ-RXMQYKEDSA-N 235.334 -0.123 50 20 BBGD CCOC(=O)NNC(=O)C[C@@H]1CCCC(=O)N1 367974486 UDWBLPVECOZPTP-ZETCQYMHSA-N 243.263 -0.178 50 20 BBGD C[C@H]1C[C@@H]1C(=O)Nc1cccc(B(O)O)c1 404993738 WHRCYAMSZMDLKN-XVKPBYJWSA-N 219.049 -0.039 50 20 BBGD C[C@H](O)CCNCc1ccccc1B(O)O 585050029 OTHPMGGERQQITP-VIFPVBQESA-N 223.081 -0.773 50 20 BBGD CCC[C@H](OCC)C(=O)NCB(O)O 585063268 VUHGAMHCXDZEMR-ZETCQYMHSA-N 203.047 -0.680 50 20 BBGD CC(C)C(=O)NNC(=O)NCCn1cccn1 734280223 JDTRFODKILEABX-UHFFFAOYSA-N 239.279 -0.131 50 20 BBGD COC1(C(=O)NNC(=O)C(C)(C)O)CCC1 768248004 SOIGORHDPHWELF-UHFFFAOYSA-N 230.264 -0.526 50 20 BBGD COCCN(C)NC(=O)[C@@H](C)S(C)(=O)=O 808075385 XLZKQQZHZQEDBC-SSDOTTSWSA-N 238.309 -0.971 50 20 BBGD Cc1nonc1CC(=O)NN(C)[C@H](C)CO 823916896 AUQFJTSBZZLAAU-ZCFIWIBFSA-N 228.252 -0.736 50 20 BBGD O=C1CC[C@@H](C(=O)NNC(=O)NC2CC2)C1 843775294 URRUJOIRJDBMIH-ZCFIWIBFSA-N 225.248 -0.152 50 20 BBGD C=CCCn1cc(C=NNC(=O)COC)nn1 853318801 SSEXNMCRQZVHCF-UHFFFAOYSA-N 237.263 -0.049 50 20 BBGD CCC(COC)=NNC(=O)[C@@H]1CCC(=O)N1 863149371 YGRGAGHVNRGUSC-QMMMGPOBSA-N 227.264 -0.206 50 20 BBGD COCCN(C)NC(=O)c1cn(C)nc1OC 883969429 KCQROHDNXGDLSE-UHFFFAOYSA-N 242.279 -0.348 50 20 BBGD Cc1cnn(CCC(=O)NN(C)C[C@H](C)O)c1 910167228 FLFFXLHUOVLRRW-JTQLQIEISA-N 240.307 -0.075 50 20 BBGD CCNC(=O)NNC(=O)c1cc(C)ncn1 1319618232 NKUHJSPFXPIHDL-UHFFFAOYSA-N 223.236 -0.251 50 20 BBGD O=C1CC[C@H](C(=O)NNC(=O)c2ccc[nH]2)N1 1321601529 NPQDUVGJCCXFOC-SSDOTTSWSA-N 236.231 -0.946 50 20 BBGD CN(C)C(=O)NNC(=O)[C@H]1CCOC1 1324986256 AQIXLLHCAUAYGS-LURJTMIESA-N 201.226 -0.675 50 20 BBGD C[C@H](NNC(=O)CCNC(N)=O)C(F)(F)F 1330100860 XBNUSDCGMRGKIX-BYPYZUCNSA-N 242.201 -0.384 50 20 BBGD O=S(=O)(CCl)N1CCC[C@H]1CO 82513070 DEZDALJUHGJWQG-LURJTMIESA-N 213.686 -0.031 50 20 BBGD CCOC(=O)c1sccc1B(O)O 221778698 AZLKJXPIJBJJFG-UHFFFAOYSA-N 200.024 -0.395 50 20 BBGD COC(=O)N[C@@H](C)C(=O)NNC(=O)N(C)C 494119375 HLBXRQLMKGIQBZ-YFKPBYRVSA-N 232.240 -0.967 50 20 BBGD CCOC(=O)N1CCC[C@H](C(=O)NN)C1 495779757 JSDGFTZGYUTGKQ-ZETCQYMHSA-N 215.253 -0.155 50 20 BBGD CC#CCCNC(=O)c1ccc(B(O)O)cc1 584972295 SIZAOEOQMARXOH-UHFFFAOYSA-N 231.060 -0.490 50 20 BBGD CC(C)(CCO)CNCc1ccc(B(O)O)o1 585026051 BUXWCKXJVUEUBH-UHFFFAOYSA-N 241.096 -0.542 50 20 BBGD C[C@@H]1C[C@H](NCc2ccc(B(O)O)o2)CO1 585048008 IQQHWVGJSWIVDV-SFYZADRCSA-N 225.053 -0.774 50 20 BBGD C=C(C)[C@@H](CC(=O)NNC(=O)CO)OCC 753438547 FSOAORZZPKGMSN-MRVPVSSYSA-N 230.264 -0.503 50 20 BBGD CO[C@@H](C(=O)NNC(=O)C(C)(C)O)C(C)C 768255671 NBPSCZZANHYJSL-SSDOTTSWSA-N 232.280 -0.424 50 20 BBGD COC(=O)CNC(=O)NN=Cc1ncc[nH]1 779822922 ISULHEVKOMQRBA-UHFFFAOYSA-N 225.208 -0.784 50 20 BBGD CC(=O)CCC(=O)NNC(=O)C(C)(C)O 800546810 HKHCLBWOJYFBQQ-UHFFFAOYSA-N 216.237 -0.726 50 20 BBGD CC(=NNC(=O)CN(C)C)c1csnn1 814832647 SRWVCUWPTOPLII-UHFFFAOYSA-N 227.293 -0.060 50 20 BBGD CCOC(=O)c1cc(C=NN(C)C(N)=O)[nH]n1 842530015 FKKIGWPWQNUNTJ-UHFFFAOYSA-N 239.235 -0.069 50 20 BBGD CNC(=S)N(C)NC(=O)CCNC(=O)OC 854923843 KUYNGYYZVCUGNT-UHFFFAOYSA-N 248.308 -0.800 50 20 BBGD C[C@@H]1O[C@H](C)[C@H](C(=O)NNC(=O)CO)[C@H]1C 863903827 VCZYQYVVXIRGQX-XZMZPDFPSA-N 230.264 -0.814 50 20 BBGD CC[C@@H](NC(C)=O)C(=O)NNC(=O)C1CC1 864443859 MDDFRRJUNXTRFS-MRVPVSSYSA-N 227.264 -0.542 50 20 BBGD CCCS(=O)(=O)N1CCCC[C@H]1C(=O)NN 918553590 CWCMGNUZBCUATH-QMMMGPOBSA-N 249.336 -0.429 50 20 BBGD CNS(=O)(=O)CCCNC(=O)CCl 1118920929 XUHBTXVPQGBYRE-UHFFFAOYSA-N 228.701 -0.719 50 20 BBGD CCNC(=O)NNC(=O)CCn1ccnn1 1255565358 YDZMVEHLIAXQHQ-UHFFFAOYSA-N 226.240 -0.982 50 20 BBGD CN(C)C(=O)NNC(=O)Cc1cnn(C)c1 1318144066 XSGXMXSVPFLOLC-UHFFFAOYSA-N 225.252 -0.735 50 20 BBGD NC(=O)c1ccc(NNC(=O)c2ccc[nH]2)nn1 1321133649 OYBUJWXVNSNCKW-UHFFFAOYSA-N 246.230 -0.340 50 20 BBGD CNC(=S)N(C)NC(=O)[C@H](C)n1ccnc1 1328744966 OOQIEANRDNBHEB-ZETCQYMHSA-N 241.320 -0.089 50 20 BBGD O=C(Cc1ncc[nH]1)NNc1cccnn1 1329045619 UYWXAYBSYOXSGS-UHFFFAOYSA-N 218.220 -0.115 50 20 BBGD Cc1cc(NNC(=O)c2cnnn2C)nc(C)n1 1344549321 LZONDKUMCLCHHI-UHFFFAOYSA-N 247.262 -0.021 50 20 BBGD COCCN(C)NC(=O)[C@H]1[C@H]2CCNC[C@H]21 1579022461 WEANPCFIJGUZKY-AEJSXWLSSA-N 227.308 -0.549 50 20 BBGD O=C(NNC(=O)C1=COCCO1)NC1CC1 49128945 WRNFFRMHPJKCBC-UHFFFAOYSA-N 227.220 -0.633 50 20 BBGD COc1cccc(C[C@H](N)C(=O)NN)c1 258972698 IJEXSCXSMAIUBH-VIFPVBQESA-N 209.249 -0.445 50 20 BBGD CNC(=O)C(=O)NCCSSC 283740332 AMVKCJXEJSEDAX-UHFFFAOYSA-N 208.308 -0.140 50 20 BBGD C[C@@H]1CN(C(=O)c2ccc(B(O)O)cc2)CCO1 584926019 AZAPYMOQRJEVOZ-SECBINFHSA-N 249.075 -0.773 50 20 BBGD OC[C@@H]1CCC[C@@H]1NCc1ccc(B(O)O)o1 585044582 NEOYKCQPCVDVFB-WPRPVWTQSA-N 239.080 -0.790 50 20 BBGD C[C@H](O)C1(NCc2cccc(B(O)O)c2)CC1 585049049 ANVHZCCQNOYGPU-VIFPVBQESA-N 235.092 -0.631 50 20 BBGD C[C@H](CO)SCC(=O)NNC(=O)C1CC1 742459543 HMSGVSJRXRFMIU-ZCFIWIBFSA-N 232.305 -0.342 50 20 BBGD O=C(CO)NNC(=O)c1cncc2ccccc12 753436788 CNQCYEOEVKNKSA-UHFFFAOYSA-N 245.238 -0.012 50 20 BBGD CN(NC(=O)COC[C@H]1CCCO1)C(N)=O 770436777 RBXXJBMQFRWSGF-SSDOTTSWSA-N 231.252 -0.776 50 20 BBGD CC[C@@H](CO)C(=O)NNc1nccc(OC)n1 779601577 DGYCGBMBTYDINQ-ZETCQYMHSA-N 240.263 -0.053 50 20 BBGD COC[C@@H](C)[C@@H](C)C(=O)NNC(=O)C(C)(C)O 813530339 PIPNIUSWRLETRA-HTQZYQBOSA-N 246.307 -0.177 50 20 BBGD CCC[C@H](O)C(=O)NNC(=O)[C@@H]1CCCCO1 820936227 IHRPJLFQLZDSRX-IUCAKERBSA-N 244.291 -0.136 50 20 BBGD C[C@H](CO)N(C)NC(=O)C1(CN(C)C)CC1 823913412 UDUZFKCGNJJSTD-SECBINFHSA-N 229.324 -0.328 50 20 BBGD O=C(NNC(=O)C1[C@@H]2CCC[C@@H]12)c1ncon1 832825814 IFVZEMKUSJGPRL-PHDIDXHHSA-N 236.231 -0.123 50 20 BBGD CC(C)(C)C#CC(=O)NNC(=O)c1ncon1 832826343 XFKZIVQLVOGWEE-UHFFFAOYSA-N 236.231 -0.120 50 20 BBGD C#CC1CCC(=NNC(=O)C(N)=O)CC1 853260574 ZGRCXAWQSKRKFU-UHFFFAOYSA-N 207.233 -0.233 50 20 BBGD O=C(NNC(=O)[C@@H]1CCCCO1)c1cc[nH]n1 855358035 YUESZJZFQKBFLV-QMMMGPOBSA-N 238.247 -0.260 50 20 BBGD C=CCCNC(=O)NNC(=O)[C@@H]1CCC(=O)N1 858604337 KZIPIXJARXNIIC-ZETCQYMHSA-N 240.263 -0.829 50 20 BBGD Cc1n[nH]cc1C(=O)NNC(=O)C1CSC1 865568647 WRGXUIROKNFRIN-UHFFFAOYSA-N 240.288 -0.158 50 20 BBGD C[C@]1(C(=O)NNC(=O)C2CC2)CCNC1=O 873752052 YZKXGBJHMPUGQG-JTQLQIEISA-N 225.248 -0.930 50 20 BBGD CNC(=O)NNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 900352773 KRTDYDTZAUCZOG-BIIVOSGPSA-N 227.264 -0.238 50 20 BBGD COCCN(C)NC(=O)[C@H]1[C@H]2C(=O)CC[C@H]21 908115578 QMDVHYMOIQEPCP-SZEHBUNVSA-N 226.276 -0.179 50 20 BBGD C=C[C@](C)(O)CC(=O)NNc1cnnn1C 1118828527 ZVNXHRBHLWSNBK-VIFPVBQESA-N 225.252 -0.415 50 20 BBGD CNC(=O)NNC(=O)c1ccc(NC=O)cc1 1252396742 GWCDLIZLLXWOKP-UHFFFAOYSA-N 236.231 -0.171 50 20 BBGD O=C1CC[C@@H](C(=O)NNc2cccnn2)N1 1254615379 MRLCCCAFFPUOPY-LURJTMIESA-N 221.220 -0.802 50 20 BBGD CNC(=O)NNC(=O)[C@@H]1C[C@]12CCOC2 1254888500 FQWVURGLSAULCP-RCOVLWMOSA-N 213.237 -0.627 50 20 BBGD CCO/C=C(\C#N)C(=O)N[C@@H](COC)C(N)=O 1319760638 QNBCLHHJRQUZDP-IVGLGHLBSA-N 241.247 -0.953 50 20 BBGD COC(=O)N(C)NC(=O)N[C@@H]1CCN(C)C1=O 1330697450 QBGBHFIHDBVEOH-ZCFIWIBFSA-N 244.251 -0.871 50 20 BBGD C[C@@H]1C[C@@H](C(=O)NN(C)C(N)=O)CCO1 1337548738 FPKBVENDGVDRDE-RQJHMYQMSA-N 215.253 -0.157 50 20 BBGD Cc1ncccc1CC(=O)NNC(=O)[C@@H]1CCN1 1579880330 DEQKYJMVLPENFR-JTQLQIEISA-N 248.286 -0.558 50 20 BBGD CC[C@@H](NNC(=O)c1cnccn1)C(=O)O 1595306184 VYWUTAKIUBSQFE-ZCFIWIBFSA-N 224.220 -0.426 50 20 BBGD COC(=O)NNC(=O)[C@@H](C(=O)O)C(C)C 1604345186 UKLNYDGOOUHWEU-YFKPBYRVSA-N 218.209 -0.270 50 20 BBGD O=C(NNC(=O)C1(C(=O)O)CC1)C1CCC1 1605814514 DSJARPRQDJJHRP-UHFFFAOYSA-N 226.232 -0.201 50 20 BBGD CCOC(=O)NNC(=O)COC[C@@H]1CCCO1 49492688 FEKNGVBPGNVFBY-QMMMGPOBSA-N 246.263 -0.041 50 20 BBGD CC(C)(CNS(=O)(=O)CCl)OCCO 389224109 OXWCXIZCVJUDHI-UHFFFAOYSA-N 245.728 -0.110 50 20 BBGD CCc1n[nH]cc1C(=O)NNC(=O)N(C)C 746001797 WONRYFVSCXCBFY-UHFFFAOYSA-N 225.252 -0.112 50 20 BBGD CC(C)NC(=O)NN=Cc1cn(C)nn1 755673176 QCIXGUGYHOEESI-UHFFFAOYSA-N 210.241 -0.143 50 20 BBGD O=C(NNC(=O)C1CC1)c1cncnc1 760622395 XIYPFFRUBVNGJS-UHFFFAOYSA-N 206.205 -0.352 50 20 BBGD CC(C)[C@@](C)(O)C(=O)NN(C)C(N)=O 771439126 FDZMXPNGEBVCCD-MRVPVSSYSA-N 203.242 -0.565 50 20 BBGD C[C@H]1COC(=O)C1=NNC(=O)C(C)(C)O 794932892 KQALPNLSCLKQHT-YFKPBYRVSA-N 214.221 -0.578 50 20 BBGD CC1(C(=O)NNC(=O)CC2CC2)COC1 819109519 GKTBMPSNKAMEJK-UHFFFAOYSA-N 212.249 -0.030 50 20 BBGD CC(C)CC(=O)NNC(=O)[C@@H]1CCNC1=O 820710896 WQPDDSDETQVAHE-SSDOTTSWSA-N 227.264 -0.684 50 20 BBGD Cc1ncoc1C(=O)NN(C)C[C@@H](C)O 821216942 BCWGCEZBMFGRAB-ZCFIWIBFSA-N 213.237 -0.060 50 20 BBGD C[C@@H](CO)N(C)NC(=O)[C@](C)(O)C1CC1 823922729 MNLCHCNBCYCHPM-OIBJUYFYSA-N 216.281 -0.509 50 20 BBGD CCC(=O)NNC(=O)[C@@H](C)N(C)CCCN 843351414 SNCUNHOMEXOKPE-MRVPVSSYSA-N 230.312 -0.787 50 20 BBGD COCCOCC(=O)NNC(=O)C[C@H](C)OC 869909489 XYONNGRHRQFJPQ-QMMMGPOBSA-N 248.279 -0.778 50 20 BBGD C[C@H](C(=O)NNc1ncccn1)N(C)C 873959416 KXDLMNYGGHZZIY-SSDOTTSWSA-N 209.253 -0.130 50 20 BBGD C[C@]1(C(=O)NNC(=O)C2CCC2)CCNC1=O 874456144 VOTYPHMWEHDJOM-NSHDSACASA-N 239.275 -0.540 50 20 BBGD C[C@H](O)CN(C)NC(=O)c1cnn2c1CCC2 910144251 GPSNNKROBPMMOE-QMMMGPOBSA-N 238.291 -0.213 50 20 BBGD C[C@@H](O)CN(C)NC(=O)C1(N(C)C)CCC1 910151072 ZGTIEZUXOGKYHJ-SECBINFHSA-N 229.324 -0.186 50 20 BBGD CC(=O)CSCC(=O)NN(C)C[C@H](C)O 910153351 SDDPLXDYGFWZMO-ZETCQYMHSA-N 234.321 -0.348 50 20 BBGD NC(=O)C1(C(=O)NNc2ncccn2)CC1 1116020306 HFCHJCGJLXRUFG-UHFFFAOYSA-N 221.220 -0.815 50 20 BBGD CCn1cc(C(=O)NN(C)C(N)=O)cn1 1116450904 FUGCXTXRUDLHKY-UHFFFAOYSA-N 211.225 -0.442 50 20 BBGD CNC(=O)CCCCC(=O)NN(C)C(N)=O 1116930283 ULNFBQZZLLNKEC-UHFFFAOYSA-N 230.268 -0.666 50 20 BBGD C[C@H](NNC(=O)CCC(N)=O)C(F)(F)F 1119658575 BHUVJOXCEXOARN-BYPYZUCNSA-N 227.186 -0.177 50 20 BBGD Cn1ccc(NNC(=O)c2cncnc2)n1 1256183427 DARNVZRICWQXKP-UHFFFAOYSA-N 218.220 -0.033 50 20 BBGD COC(=O)NNC(=O)c1cccc(C(N)=O)n1 1320546006 IZLLBLDDIMBMAL-UHFFFAOYSA-N 238.203 -0.819 50 20 BBGD COC(=O)NNC(=O)CCc1ncc[nH]1 1323034927 OBFFXVFIPSNUTR-UHFFFAOYSA-N 212.209 -0.271 50 20 BBGD CN(NC(=O)CCCCNC(N)=O)C1CC1 1326616337 GKFPWJYJKNBJGS-UHFFFAOYSA-N 228.296 -0.050 50 20 BBGD O=C1CC[C@H](CC(=O)NNc2cccnn2)CN1 1334794401 MCOOMLWVUKMGBP-MRVPVSSYSA-N 249.274 -0.164 50 20 BBGD Cc1ccnc(O)c1C(=O)NN(C)C(N)=O 1337411843 DQQHNIMZNWZPDN-UHFFFAOYSA-N 224.220 -0.249 50 20 BBGD C[C@@H](NC(=O)/C(C#N)=C\c1cnn(C)c1)C(=O)O 1604983375 ZONDYRYQIJXKJB-LVWLXAFTSA-N 248.242 -0.084 50 20 BBGD O=C(CO)NNC(=O)[C@@H]1CCC[C@H](C(=O)O)C1 1608342527 DASDXRGDALNCNT-RQJHMYQMSA-N 244.247 -0.983 50 20 BBGD CCN(CCO)S(=O)(=O)CCl 82512504 IHZXTLKYPUDOBW-UHFFFAOYSA-N 201.675 -0.173 50 20 BBGD CC(C)CC(=O)NNC(=O)c1cnnn1C 281350994 VJUQAVXTDNDIHC-UHFFFAOYSA-N 225.252 -0.378 50 20 BBGD C[C@@H]1CN(S(=O)(=O)CCl)C[C@H](CO)O1 299919449 WLJMIVPNYDUSLK-RNFRBKRXSA-N 243.712 -0.406 50 20 BBGD O=C(Nc1cccc(B(O)O)c1)[C@H]1CCOC1 404990819 BZKNMZJQGYZABM-QMMMGPOBSA-N 235.048 -0.659 50 20 BBGD O=C(NCB(O)O)[C@@H]1CCc2ccccc2C1 585062647 LKPLFQJKIYTOJF-LLVKDONJSA-N 233.076 -0.080 50 20 BBGD CC(C)(C)C(=O)NNS(=O)(=O)c1cnc[nH]1 736539352 KJOJOKPMLAWWIR-UHFFFAOYSA-N 246.292 -0.235 50 20 BBGD CCCC(=O)NNc1ccc(C(N)=O)nn1 757408000 OYYZYNURVGWKEG-UHFFFAOYSA-N 223.236 -0.181 50 20 BBGD CSCC[C@@H](O)C(=O)NNC(=O)C(C)C 765469621 UVYYYDXOQCSMSV-SSDOTTSWSA-N 234.321 -0.096 50 20 BBGD CN1CCCC[C@H]1C(=O)NNC(=O)C(C)(C)O 768245034 QBZSBOBTJZMPLH-QMMMGPOBSA-N 243.307 -0.611 50 20 BBGD O=C(NN=c1cc[nH]cc1)c1cc[nH]n1 780759210 CUUJBAUAATXOIF-UHFFFAOYSA-N 203.205 -0.017 50 20 BBGD CC(C)[C@@](C)(O)C(=O)NN(C)[C@H](C)CO 823934363 FXGLDFLIGQVQDZ-PSASIEDQSA-N 218.297 -0.263 50 20 BBGD CC(C)[C@@H](C(=O)NN(C)[C@@H](C)CO)N(C)C 823959710 OGHZKBZCUNATJG-UWVGGRQHSA-N 231.340 -0.084 50 20 BBGD C[C@H]1CC(=NNC(=O)NCC(=O)O)CCO1 833587757 MSLWTQDYVUDIQS-LURJTMIESA-N 229.236 -0.075 50 20 BBGD COCCN(C)NC(=O)COC[C@@H]1CCCO1 848377183 ASXPZOINSVHQTI-JTQLQIEISA-N 246.307 -0.209 50 20 BBGD COCCN(C)NC(=O)CCc1ccn(C)n1 848377865 FILRIZOHYNBBAE-UHFFFAOYSA-N 240.307 -0.038 50 20 BBGD NNC(=O)[C@]1(c2ccccc2)CCC(=O)NC1 848416975 GEFUHAHUKQDYJP-GFCCVEGCSA-N 233.271 -0.176 50 20 BBGD Cc1nonc1C(=O)NNc1ccncn1 857520693 JKHLYMYSXQNZKK-UHFFFAOYSA-N 220.192 -0.075 50 20 BBGD O=C(NNC(=O)[C@H]1CCCO1)c1cccnn1 858481492 HDMGBFAFFYQTLD-MRVPVSSYSA-N 236.231 -0.583 50 20 BBGD CCNC(=O)N(C)NC(=O)OCCOC 885109533 USLRWFPAOMBNDZ-UHFFFAOYSA-N 219.241 -0.065 50 20 BBGD CC[C@@H](CO)C(=O)NN(C)C[C@H](C)O 910139432 ABCNHNOHLQPOIZ-YUMQZZPRSA-N 204.270 -0.651 50 20 BBGD CC(=O)NNC(=O)[C@@H]1CCO[C@H](C)C1 1117738335 GGHGMDUHTVAZER-HTRCEHHLSA-N 200.238 -0.031 50 20 BBGD O=C(Cc1cc[nH]n1)NNc1ccncn1 1118777624 BGZUWMRXQJHFFB-UHFFFAOYSA-N 218.220 -0.115 50 20 BBGD CC(C)C(=O)NNC(=O)CCCCO 1254076596 FPESDIFXFDYSAG-UHFFFAOYSA-N 202.254 -0.048 50 20 BBGD O=C(Cc1ccncc1)NNC(=O)[C@H]1CCOC1 1319321944 WPJYAVPWZLSJTF-JTQLQIEISA-N 249.270 -0.192 50 20 BBGD CCO/C=C(\C#N)C(=O)Nc1cc(C(N)=O)[nH]n1 1319891698 KXBXUQPZPCSFLY-AATRIKPKSA-N 249.230 -0.109 50 20 BBGD CC(C)NC(=S)NNC(=O)c1ccncn1 1321483646 FTASGJLYHOPJJO-UHFFFAOYSA-N 239.304 -0.006 50 20 BBGD CCC(=O)NNC(=O)C(=O)N1CCCC1 1322186440 ATDSTVVMVOOIEE-UHFFFAOYSA-N 213.237 -0.834 50 20 BBGD O=C(CO)NNC(=O)c1occ2c1CCOC2 1323070449 NJPLATUFUIYCNP-UHFFFAOYSA-N 240.215 -0.894 50 20 BBGD CCOC(=O)NCC(=O)NNc1cnnn1C 1324333800 JFXZBHYVPWBPIL-UHFFFAOYSA-N 242.239 -0.996 50 20 BBGD CN[C@@H](C)C(=O)NNc1cc(C)nc(N)n1 1578751272 SZURAJYGJYXGGA-LURJTMIESA-N 224.268 -0.582 50 20 BBGD NC1CC(CC(=O)NNC(=O)c2ccc[nH]2)C1 1580160673 VISXTAAKYZBVRZ-UHFFFAOYSA-N 236.275 -0.097 50 20 BBGD NC[C@@H]1C[C@@H]1C(=O)NNC(=O)Cc1cccnc1 1580323996 XUUDRSZTADMYEP-UWVGGRQHSA-N 248.286 -0.634 50 20 BBGD O=C(O)CNC(=O)NNC(=S)NC1CCC1 1610784243 XXMUOSQMRDLAKK-UHFFFAOYSA-N 246.292 -0.698 50 20 BBGD CC[C@@H](C(=O)NNC(=O)OC)C(=O)OC 283035082 UQOPOOSOWXSICD-YFKPBYRVSA-N 218.209 -0.427 50 20 BBGD CCOCC(=O)NN=Cc1cnc(N)nc1 309311862 XIGIBIURIRLWSA-UHFFFAOYSA-N 223.236 -0.455 50 20 BBGD O=C(Nc1cccc(B(O)O)c1)C1(O)CCCC1 584913125 OUUDZCVDALJXKR-UHFFFAOYSA-N 249.075 -0.390 50 20 BBGD CC[C@H](CC#N)NC(=O)c1cccc(B(O)O)c1 584973481 AEIAYPOBYPIPDC-LLVKDONJSA-N 246.075 -0.212 50 20 BBGD CC[C@@H]1COC[C@H]1NCc1cccc(B(O)O)c1 585047826 WEZHBZIMLRGHDK-DGCLKSJQSA-N 249.119 -0.119 50 20 BBGD C[C@@H]1O[C@H](C)[C@@H](C(=O)NCB(O)O)[C@@H]1C 585062627 LHTWGWYYJGTEKM-CWKFCGSDSA-N 215.058 -0.826 50 20 BBGD CNC(=O)NNC(=O)[C@H](C(C)C)N(C)C 732061727 MVIXGMAPZXIDKM-ZETCQYMHSA-N 216.285 -0.467 50 20 BBGD COCCC(=O)NNC(=O)Cc1ccncc1 747326713 UIJOQYRQHJXNCS-UHFFFAOYSA-N 237.259 -0.192 50 20 BBGD O=C(O)CCNC(=O)NNC(=O)c1ccc[nH]1 819492332 CAEAXXMEJHPXJX-UHFFFAOYSA-N 240.219 -0.567 50 20 BBGD COC(OC)C(=O)NNC(=O)[C@H]1CCO[C@H]1C 824015679 CNCQZPVUGCJPTF-BQBZGAKWSA-N 246.263 -0.822 50 20 BBGD COCCN(C)NC(=O)c1cc(OC)n(C)n1 848378079 HRKUYNBNPXKGCP-UHFFFAOYSA-N 242.279 -0.348 50 20 BBGD C=CCNC(=S)NNC(=O)C(OC)OC 873766090 XOBUFNNUYIFTEH-UHFFFAOYSA-N 233.293 -0.713 50 20 BBGD COCCONC(=O)NN(C)C(=O)OC 875543721 LWGAEUSGBCPNCP-UHFFFAOYSA-N 221.213 -0.523 50 20 BBGD C=C[C@@](C)(O)C(=O)NNC(=O)C1CCOCC1 883070819 DVYPUHWLZTWDJF-LLVKDONJSA-N 242.275 -0.503 50 20 BBGD CCNC(=O)NNC(=O)[C@@H]1C[C@H]1C(=O)OCC 930734685 QMSADEIHLWMVCK-RNFRBKRXSA-N 243.263 -0.464 50 20 BBGD Cn1cc(/C=C(/C#N)S(N)(=O)=O)cn1 1116924429 KVXIJUDHDQCVBF-UQCOIBPSSA-N 212.234 -0.427 50 20 BBGD CCNC(=O)N(C)NC(=O)c1ccncn1 1321516830 NGVBAHDPNPYMTD-UHFFFAOYSA-N 223.236 -0.217 50 20 BBGD CCNC(=O)NNC(=O)c1cc(O)ncn1 1328816212 XZHRMDHUOAFWTA-UHFFFAOYSA-N 225.208 -0.854 50 20 BBGD C[C@H](C(=O)NN(C)[C@@H](C)CO)[C@@H]1CCC(=O)N1 1332366214 LCUFXBLBDJKKSK-CIUDSAMLSA-N 243.307 -0.755 50 20 BBGD Cc1nnc(CC(=O)NN(C)[C@H](C)CO)s1 1336010899 LJAPHNICWSOICZ-ZCFIWIBFSA-N 244.320 -0.267 50 20 BBGD CC[C@@H](F)C(=O)NNC(=O)[C@H]1CCC(=O)N1 1336569727 RJBXLDKZAUQKLQ-PHDIDXHHSA-N 231.227 -0.840 50 20 BBGD CC(C)NC(=S)NNC(=O)CC#N 6827677 PLUIETRTISBLRR-UHFFFAOYSA-N 200.267 -0.196 50 20 BBGD O=S(=O)(CCl)NCCn1ccnc1 82513062 HYHRNUVADNYHNG-UHFFFAOYSA-N 223.685 -0.001 50 20 BBGD CO[C@H](C)CCC(=O)NN(C)C(N)=O 184155196 BXVHSJFDSCSVCU-ZCFIWIBFSA-N 203.242 -0.157 50 20 BBGD CCO/C=C(\C#N)C(=O)N[C@H](CO)CCOC 281215678 DWRHECFTSMNUIX-DDXVTDLHSA-N 242.275 -0.056 50 20 BBGD C[C@@H](N)[C@@H](C)C(=O)NNc1ncccn1 390614223 GFBWEKKEPCUIGK-RNFRBKRXSA-N 209.253 -0.097 50 20 BBGD O=C(N[C@@H]1C=CCC1)c1ccc(B(O)O)cc1 585006904 RCTNUZAVQMMJCC-LLVKDONJSA-N 231.060 -0.185 50 20 BBGD OB(O)c1ccccc1CN[C@@H]1CCOC1 585030768 ZKOBGAAQERBBKW-SNVBAGLBSA-N 221.065 -0.755 50 20 BBGD C[C@H](NCc1ccccc1B(O)O)c1cn[nH]c1 585034530 MAQDLGTWPZOQQM-VIFPVBQESA-N 245.091 -0.060 50 20 BBGD O=C(NCB(O)O)c1cc(F)c(F)c(F)c1 585060938 LXUXWILEMGHUSM-UHFFFAOYSA-N 232.954 -0.154 50 20 BBGD CCNC(=O)NNC(=O)CCN1CCCC1=O 727732539 SHBWWNFGCHEUGF-UHFFFAOYSA-N 242.279 -0.651 50 20 BBGD CCc1cccnc1C(C)=NNC(=O)C(N)=O 779758196 QTZSBZBMVFROSW-UHFFFAOYSA-N 234.259 -0.031 50 20 BBGD CO[C@H](C)CC(=O)NNC(=O)C(C)(C)O 787946644 YUJLLJKSBFOKPA-ZCFIWIBFSA-N 218.253 -0.670 50 20 BBGD COc1nccnc1NNC(=O)c1cncn1C 791225802 PFCYNUWYXLHSPL-UHFFFAOYSA-N 248.246 -0.024 50 20 BBGD C=C[C@@H](NNC(=O)c1cnccn1)C(=O)OC 799977096 SCOKERXTCLPCPO-SSDOTTSWSA-N 236.231 -0.561 50 20 BBGD COC/C=C\C(=O)NN(C)C(=O)OC 804125759 VDEJCOOVAWMBJC-PLNGDYQASA-N 202.210 -0.082 50 20 BBGD CO[C@@H](C)C(=O)NNC(=O)CC1CC1 819110121 UIXVSAWXCLBSKM-LURJTMIESA-N 200.238 -0.031 50 20 BBGD O=C(O)CCNC(=O)NNC(=O)c1ccoc1 819492570 MPZILMBPPNSKIX-UHFFFAOYSA-N 241.203 -0.302 50 20 BBGD CC1CCC(NS(=O)(=O)CC(=O)NN)CC1 825645181 QRBXKIVGLQORBV-UHFFFAOYSA-N 249.336 -0.526 50 20 BBGD COC(=O)N[C@@H](C)C(=O)NNc1ccncn1 857520928 TYZJZMNXYCVBKT-LURJTMIESA-N 239.235 -0.336 50 20 BBGD C[C@H]1CN(C)CC1=NNC(=O)[C@@H]1CCC(=O)N1 863148413 BKXGPOIBTMECIQ-YUMQZZPRSA-N 238.291 -0.681 50 20 BBGD CC1=NO[C@H](C(=O)NN(C)C[C@H](C)O)C1 910145137 QDSDWKHKKYEIOC-YUMQZZPRSA-N 215.253 -0.505 50 20 BBGD N#Cc1ncn(CC(=O)NNc2ccccn2)n1 1319985515 NSMMRILVOZIRNW-UHFFFAOYSA-N 243.230 -0.312 50 20 BBGD CN(C)C(=O)NNC(=O)c1ccc2nncn2c1 1321398225 IUIRZPXTGIJZSB-UHFFFAOYSA-N 248.246 -0.355 50 20 BBGD CC[C@H](F)C(=O)NNC(=O)C(=O)NC(C)C 1335503817 IANWCAGVZGFYED-LURJTMIESA-N 233.243 -0.594 50 20 BBGD Cc1nccnc1C(=O)NNC(=O)N(C)C 1347387337 RODFKPXZNIEMBW-UHFFFAOYSA-N 223.236 -0.299 50 20 BBGD CNS(=O)(=O)c1cc(C(=O)N(C)N)co1 1573910977 XAORFMVKPPKTCK-UHFFFAOYSA-N 233.249 -0.867 50 20 BBGD CNC[C@@H](C)C(=O)NNC(=O)c1cnsn1 1578623523 VQPRASVTECXCKP-RXMQYKEDSA-N 243.292 -0.845 50 20 BBGD CCCNC(=O)NNC(=O)CCC(=O)O 1589677340 JESJKQVVAMGMGG-UHFFFAOYSA-N 217.225 -0.408 50 20 BBGD CCC(C)(CC)C(=O)NNC(=O)CO 118954777 UDZJMAAPZZUHSH-UHFFFAOYSA-N 202.254 -0.048 50 20 BBGD O=C(CO)NNC(=O)COc1ccccc1 180955869 AAALFFGAFRMBKZ-UHFFFAOYSA-N 224.216 -0.795 50 20 BBGD CNS(=O)(=O)NN(C)C(=O)OC(C)(C)C 496444536 RWVODLAFPNUYLS-UHFFFAOYSA-N 239.297 -0.178 50 20 BBGD Cn1cnc(CCNCc2ccc(B(O)O)o2)c1 585045735 GLOQZMYYXZOGPA-UHFFFAOYSA-N 249.079 -0.975 50 20 BBGD CC(CS(C)(=O)=O)=NNC(=O)N(C)C 732528798 ZFGKUSUGGINPGK-UHFFFAOYSA-N 221.282 -0.322 50 20 BBGD O=C(NNC(=O)[C@@H]1C[C@]12CCOC2)NC1CC1 763750525 OOQVTRLMDZCTCR-KWQFWETISA-N 239.275 -0.094 50 20 BBGD CCNC(=O)N(C)NC(=O)[C@@H]1COCCO1 770549215 NJAXJUTYZNRXLQ-ZETCQYMHSA-N 231.252 -0.906 50 20 BBGD COCCCOCC(=O)NNC(=O)C1CCC1 775732339 MYOCKMRSLKJHJP-UHFFFAOYSA-N 244.291 -0.013 50 20 BBGD CC(C)(O)C(=O)NNC(=O)[C@@H]1C[C@@H]1C1CC1 787948383 CXKMLKQZUAQCRH-HTQZYQBOSA-N 226.276 -0.049 50 20 BBGD C[C@@H](CO)N(C)NC(=O)[C@H]1CCCN1C 823959920 SFAAUHPNNUCNDL-DTWKUNHWSA-N 215.297 -0.576 50 20 BBGD CC(C)[C@H](F)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862462179 VGYKQJVYVGOCPR-XPUUQOCRSA-N 245.254 -0.594 50 20 BBGD CC(=NNC(=O)[C@@H]1CCC(=O)N1)[C@H]1CCCO1 863147539 IJGGCHWZHVHJOD-DTWKUNHWSA-N 239.275 -0.064 50 20 BBGD C#CCCCC(=O)NNC(=O)C1(C)COC1 887147078 WYCRLYUYAMVJJV-UHFFFAOYSA-N 224.260 -0.026 50 20 BBGD Cc1ncc(C(=O)NN(C)[C@H](C)CO)n1C 911443906 BGVJDYLVOVXFSH-SSDOTTSWSA-N 226.280 -0.314 50 20 BBGD CCNC(=O)NNC(=O)C1=CCOCC1 1321499733 AANGTPNLXFRNAF-UHFFFAOYSA-N 213.237 -0.317 50 20 BBGD CC(C)NC(=O)NNC(=O)Cn1cncn1 1322101390 VUFRQMDBGYCTMQ-UHFFFAOYSA-N 226.240 -0.983 50 20 BBGD CC(C)(C#N)C(=O)NNC(=O)Cc1cc[nH]n1 1323812511 WFRDWWQRFGEUKR-UHFFFAOYSA-N 235.247 -0.351 50 20 BBGD CC(C)C(=O)NNC(=O)c1cc(N)nn1C 1575399282 VBZRNUPUZYUKRQ-UHFFFAOYSA-N 225.252 -0.581 50 20 BBGD NCCC(=O)NNC(=O)c1cncc2[nH]ccc12 1580281946 ZETKZFQURNCCQB-UHFFFAOYSA-N 247.258 -0.327 50 20 BBGD C=CCNC(=S)NNC(=O)C1(C(=O)O)CC1 1588465654 WDZJEQVFSRENFW-UHFFFAOYSA-N 243.288 -0.468 50 20 BBGD O=C(O)[C@@H]1CC[C@@H]1C(=O)N1CC[C@@H](B(O)O)C1 1608803488 ZWUJTSBLMZYXGR-GJMOJQLCSA-N 241.052 -0.828 50 20 BBGD C[C@@H](C(=O)O)C(=O)NNC(=O)[C@H]1CCCCO1 1609701311 YYICGDHMRFBSBE-RNFRBKRXSA-N 244.247 -0.576 50 20 BBGD CCNC(=O)NNC(=O)c1cnc(C)cn1 49183619 OOGWRJAJHVRYPH-UHFFFAOYSA-N 223.236 -0.251 50 20 BBGD Cc1cc(C(=O)NNC(=O)CO)ccc1F 180954852 XYVWQGAGTNOVFI-UHFFFAOYSA-N 226.207 -0.113 50 20 BBGD C=C[C@@H](CO)NS(=O)(=O)CBr 290268060 UAELGKVCPSTSAS-YFKPBYRVSA-N 244.110 -0.195 50 20 BBGD CNC(=O)NNC(=O)c1nccs1 307193207 NKXQASONPOSVHU-UHFFFAOYSA-N 200.223 -0.283 50 20 BBGD O=C(NCB(O)O)c1noc2c1CCCC2 585061023 OCRQSTHFYXHABX-UHFFFAOYSA-N 224.025 -0.705 50 20 BBGD CCc1cc(C(=O)N2CC[C@H](B(O)O)C2)n[nH]1 585076116 LIVSEDLKIVOLEV-ZETCQYMHSA-N 237.068 -0.339 50 20 BBGD CCC1(C(=O)NNC(=O)CO)CCOCC1 753445380 IDEKKMXCMJZLJN-UHFFFAOYSA-N 230.264 -0.667 50 20 BBGD NC(=O)NN=Cc1cccc(C(N)=O)c1 755464010 JRZXBTHPVNDGEM-UHFFFAOYSA-N 206.205 -0.212 50 20 BBGD Cn1ncc(C=NNC(=O)c2cccn2C)n1 814780094 YPVVZYQZKAEDPO-UHFFFAOYSA-N 232.247 -0.083 50 20 BBGD O=C(NNc1ccncn1)[C@H]1C[C@@H](O)C1 823279350 NDKCHVCHEAVEAQ-KNVOCYPGSA-N 208.221 -0.309 50 20 BBGD CCc1cc(C(=O)NN(C)[C@H](C)CO)n(C)n1 823903057 YDMIPSGMHRKSLE-MRVPVSSYSA-N 240.307 -0.060 50 20 BBGD CCNC(=O)N(C)NC(=O)[C@@H](N)CC 831945850 XFKDQMYWBJIGHX-LURJTMIESA-N 202.258 -0.584 50 20 BBGD COCC(=O)NN=C(C)Cn1cncn1 853319076 WLGVJZUXLYSGFA-UHFFFAOYSA-N 211.225 -0.583 50 20 BBGD CNC(=S)N(C)NC(=O)[C@@H]1C[C@]12CCOC2 854922380 HXSMWFXFURFRRW-XVKPBYJWSA-N 243.332 -0.120 50 20 BBGD CNC(=S)N(C)NC(=O)c1nonc1C 854923654 DLGNGQRYIOCXPM-UHFFFAOYSA-N 229.265 -0.541 50 20 BBGD C[C@@H]1C[C@@H]1C(=O)NNC(=O)c1cc[nH]n1 855361856 KAPNEOMSOQAMIM-RITPCOANSA-N 208.221 -0.173 50 20 BBGD CC[C@@H](C(=O)NNc1cnnn1C)N(C)C 857272767 GZEVKUZDSBDVFK-ZETCQYMHSA-N 226.284 -0.402 50 20 BBGD CCCNC(=O)NNC(=O)CN1CCOC1=O 874213852 HFULOPFTAHUJCE-UHFFFAOYSA-N 244.251 -0.821 50 20 BBGD CN(CC(=O)NNC(=O)NC1CC1)C1CCC1 900383538 VHQOTFNMECKFOW-UHFFFAOYSA-N 240.307 -0.037 50 20 BBGD CC(C)NC(=O)NNC(=O)[C@@H]1[C@H]2CCC(=O)[C@@H]21 906442540 INNQNNVZKJNJDU-NBEYISGCSA-N 239.275 -0.050 50 20 BBGD O=S(=O)(CCl)NCCO[C@H]1CCOC1 921884013 MUIYAEPTJAWIQT-ZETCQYMHSA-N 243.712 -0.092 50 20 BBGD Cc1cc(NNC(=O)c2n[nH]c(O)n2)nc(C)n1 1116104066 VZTDDDZPTAMUDZ-UHFFFAOYSA-N 249.234 -0.326 50 20 BBGD CN1CC[C@@H](C(=O)NNc2cccnn2)C1 1323745140 UAYAEMLXVBZUKO-MRVPVSSYSA-N 221.264 -0.129 50 20 BBGD COC(=O)N(C)NC(=O)c1ncnn1C 1328587611 VMVANQRNTLKZOL-UHFFFAOYSA-N 213.197 -0.842 50 20 BBGD CCNC(=O)NNC(=O)CCc1cn[nH]c1 1332390489 HOEHULKNGYLISU-UHFFFAOYSA-N 225.252 -0.307 50 20 BBGD CCN(CC)CCOCCNC(=O)NN 1577691093 KDJCZZPIFWSSNE-UHFFFAOYSA-N 218.301 -0.482 50 20 BBGD CCN(CCO)NC(=O)C1(C(=O)O)CCC1 1589733889 MDGRBRJWYJUYFF-UHFFFAOYSA-N 230.264 -0.413 50 20 BBGD C[C@@H](CO)N(C)NC(=O)CCCC(=O)O 1603201510 DQMVDZQKBOTUTA-ZETCQYMHSA-N 218.253 -0.415 50 20 BBGD CC[C@@H](NNC(=O)C1CCOCC1)C(=O)O 1605099140 MXYZNODBGRAISS-MRVPVSSYSA-N 230.264 -0.103 50 20 BBGD O=C(NCC1CC1)NNC(=O)c1csnn1 49166477 RFYREBCONGFTOT-UHFFFAOYSA-N 241.276 -0.108 50 20 BBGD C#CCOCCC(=O)NNC(=O)c1cccn1C 160222720 JIYKNTBYBUCPDP-UHFFFAOYSA-N 249.270 -0.174 50 20 BBGD CNC(=O)NNC(=S)NC1(C)CC1 307230655 ANLRIWWFIRUFSN-UHFFFAOYSA-N 202.283 -0.153 50 20 BBGD C[C@@H](O)CCCNCc1ccc(B(O)O)cc1 585038689 KHIRRWRXDKELSC-SNVBAGLBSA-N 237.108 -0.383 50 20 BBGD COC(=O)c1ccc(C(=O)NNC(C)=O)[nH]1 814195754 CEETVNBMRIDXJI-UHFFFAOYSA-N 225.204 -0.418 50 20 BBGD CCN(CCO)NC(=O)[C@H](O)c1cccnc1 823869301 HMOHMVYCXUYULB-SNVBAGLBSA-N 239.275 -0.540 50 20 BBGD CCOC(=O)/C(C#N)=C\N[C@@H]1COC[C@@H]1OC 840731260 YJOZGGVOFPCKQR-ZLQFYDKZSA-N 240.259 -0.040 50 20 BBGD CCOCC(=O)NN=Cc1ncnn1CC 848405331 HILDZSIJEZGVJD-UHFFFAOYSA-N 225.252 -0.215 50 20 BBGD COC(=O)N(C)NC(=O)C1(N(C)C)CC1 854410378 YTNXBXYEVKHTHL-UHFFFAOYSA-N 215.253 -0.190 50 20 BBGD C[C@@H]1C[C@H](C(=O)NNC(=O)c2cn[nH]c2)CO1 862470781 JEZDUSSCRYIPHR-RQJHMYQMSA-N 238.247 -0.404 50 20 BBGD CCC(=O)NNC(=O)[C@H](C)N[C@H](C)CC#N 878818052 KKTJAPPWZSPTGW-SFYZADRCSA-N 226.280 -0.176 50 20 BBGD CCC(=O)NNC(=S)NCCN(C)C 916112848 OUSKJNRLJZAPMF-UHFFFAOYSA-N 218.326 -0.547 50 20 BBGD COc1cc(C(=O)NNC(=O)N(C)C)ncn1 1262297335 OFTFUAFXIXNCIJ-UHFFFAOYSA-N 239.235 -0.599 50 20 BBGD Cc1ccc(C(=O)NNC(=O)NCCN)o1 1574149083 JLVPFAGUGVLUJE-UHFFFAOYSA-N 226.236 -0.509 50 20 BBGD CCNC(=O)NNC(=O)[C@]1(C)C[C@H](N)CCO1 1577793898 VUWDBEYKUBAHSP-XCBNKYQSSA-N 244.295 -0.767 50 20 BBGD O=C(O)CCCC=NNC(=O)[C@@H]1CCC(=O)N1 1595031701 WXDUDPNQSVGADD-ZETCQYMHSA-N 241.247 -0.378 50 20 BBGD O=C(O)CCC(=O)NNC(=O)c1ncccn1 1606101839 RGZVDMGHCLQWOC-UHFFFAOYSA-N 238.203 -0.898 50 20 BBGD CCOC(=O)NNC(=O)COC[C@H]1CCCO1 49492690 FEKNGVBPGNVFBY-MRVPVSSYSA-N 246.263 -0.041 50 20 BBGD O=C(NNC(=O)c1ccc[nH]1)c1cc[nH]n1 119823696 APICJQXVESOYAG-UHFFFAOYSA-N 219.204 -0.187 50 20 BBGD CCC[C@](C)(O)C(=O)NNC(=O)NCC 123549703 NZUSBUWBNDAAFA-VIFPVBQESA-N 217.269 -0.112 50 20 BBGD CC(C)(O)C(=O)NNC(=O)C1(C#N)CCC1 278029858 UOWDGWMGKLXMRM-UHFFFAOYSA-N 225.248 -0.401 50 20 BBGD CCNC(=O)NNC(=O)CNCC(F)(F)F 381199293 BWTFCRLSKZJPQQ-UHFFFAOYSA-N 242.201 -0.511 50 20 BBGD CCOC(=O)N[C@@H](C(=O)NNC(C)=O)C(C)C 497039026 NDJUAUGBFMVNSN-MRVPVSSYSA-N 245.279 -0.076 50 20 BBGD Cc1cc(COc2ccc(B(O)O)cc2)nn1C 584909745 HYFLWFXHTTTWHG-UHFFFAOYSA-N 246.075 -0.013 50 20 BBGD O=C(NCB(O)O)[C@@H]1OCCc2ccccc21 585061594 WIUOVIVEAGTGNW-SNVBAGLBSA-N 235.048 -0.571 50 20 BBGD CC(=NNC(=O)C(N)=O)[C@]1(C)CCCO1 782119570 LCEBPHYAQGIWGW-VIFPVBQESA-N 213.237 -0.467 50 20 BBGD COCCCn1nccc1C=NNC(=O)CO 802712553 PJHWKYVVYXBOLY-UHFFFAOYSA-N 240.263 -0.638 50 20 BBGD CO[C@H](C)C(=O)NNC(=O)[C@@H]1CCO[C@H]1C 843648009 VPXWLMUSGXCMQS-XLPZGREQSA-N 230.264 -0.406 50 20 BBGD O=S(=O)(CBr)N[C@H]1CCNC1 850583005 XHSQMYCFIRCYOL-YFKPBYRVSA-N 243.126 -0.380 50 20 BBGD CC(C)C(=O)NNC(=O)C[C@H]1CCC(=O)N1C 854213441 GILPRRLHFLTPSU-MRVPVSSYSA-N 241.291 -0.199 50 20 BBGD CC(C)(C)C(=O)NNC(=O)N[C@@H]1CCNC1 861705799 PBCFIRIUTNMRNI-SSDOTTSWSA-N 228.296 -0.275 50 20 BBGD C#C[C@@H](C)N(C)C(=O)c1cc(B(O)O)ccc1F 863880786 FFGOSKBZGVRIOS-MRVPVSSYSA-N 249.050 -0.401 50 20 BBGD CCN(CC(=O)NN(C)C[C@@H](C)O)C1CC1 910161193 VIPZCGWUEVIGQL-SECBINFHSA-N 229.324 -0.186 50 20 BBGD O=C(C#CC1CC1)NNC(=O)CN1CCCC1=O 913733480 KLKILJAICFMATQ-UHFFFAOYSA-N 249.270 -0.830 50 20 BBGD CCOC(=O)NNC(=O)c1cn(C)cn1 1319840723 MOGSBVGDKHHEQT-UHFFFAOYSA-N 212.209 -0.189 50 20 BBGD Cc1cc(NNC(=O)c2[nH]nnc2C)ncn1 1321213937 XZFZZDMCLDCOED-UHFFFAOYSA-N 233.235 -0.032 50 20 BBGD CCNC(=O)NNC(=S)NC[C@H]1CCOC1 1322870971 BEKUOYMIFICKIB-SSDOTTSWSA-N 246.336 -0.279 50 20 BBGD Cc1nn(C)cc1C1=NO[C@H](C(=O)NN)C1 1341633349 CDTICFMTEIIOKI-QMMMGPOBSA-N 223.236 -0.789 50 20 BBGD C[C@@H](CO)N(C)NC(=O)c1cc(C(=O)O)n[nH]1 1573601180 IHTTUEZIFYQQJY-YFKPBYRVSA-N 242.235 -0.935 50 20 BBGD COC(=O)C(=O)NN=C1CCC[C@@H](C(=O)O)C1 1598684412 KMVUENMYYUIMNF-ZCFIWIBFSA-N 242.231 -0.094 50 20 BBGD CNC(=O)NNC(=O)c1ccc2[nH]c(=O)[nH]c2c1 48950518 YKDNXUBSTHOJAH-UHFFFAOYSA-N 249.230 -0.570 50 20 BBGD CC(=O)CCC(=O)NNC(=O)c1cc(C)n[nH]1 268813097 HRCVTSBOMMRREL-UHFFFAOYSA-N 238.247 -0.152 50 20 BBGD N#CC1=CCN(S(=O)(=O)C2COC2)CC1 277089791 RJAHQWISYFOKFJ-UHFFFAOYSA-N 228.273 -0.129 50 20 BBGD C[C@@H]1C[C@]1(C)NC(=O)c1ccc(B(O)O)cc1 585010670 WJNOYWHOZRBUTJ-PELKAZGASA-N 233.076 -0.105 50 20 BBGD CC[C@@H](C)OCC(=O)N1CC[C@H](B(O)O)C1 585065082 UQVUQHUVPJOPTR-BDAKNGLRSA-N 229.085 -0.123 50 20 BBGD CCC[C@H](O)CC(=O)NNC(=O)NC 750254317 MVEIJDAVHPLQHJ-LURJTMIESA-N 203.242 -0.502 50 20 BBGD CN(C)CC(=O)NNC(=O)[C@]1(C)CCOC1 758046795 SDSCMANCXOQVQB-SNVBAGLBSA-N 229.280 -0.878 50 20 BBGD COCc1ccccc1C(=O)NNC(=O)CO 777781858 NLVKNSBALRWCQT-UHFFFAOYSA-N 238.243 -0.414 50 20 BBGD CNC(=O)NNC(=O)C1(COC)CC1 778645995 MCYODDPEMNWBLW-UHFFFAOYSA-N 201.226 -0.627 50 20 BBGD CCNC(=O)N(C)NC(=O)CC(C)(C)O 792302626 JDFXREWMNRPPTH-UHFFFAOYSA-N 217.269 -0.160 50 20 BBGD CCOCC(=O)NNC(=O)NCC1(C#N)CC1 797582214 GBFRUNADIMGRSP-UHFFFAOYSA-N 240.263 -0.343 50 20 BBGD COC(OC)C(=O)NNC(=O)c1ccc(C)o1 820700966 QDYNERXICAFUQJ-UHFFFAOYSA-N 242.231 -0.032 50 20 BBGD C[C@@H](CO)N(C)NC(=O)c1c[nH]c(C#N)c1 823940511 YNBJJWYRTAKRFS-ZETCQYMHSA-N 222.248 -0.156 50 20 BBGD COCCN(C)NC(=O)c1cn2cccnc2n1 837621036 FAMOILNPDCBWKF-UHFFFAOYSA-N 249.274 -0.048 50 20 BBGD CN(NC(=O)[C@H]1CC[C@@H]1C(N)=O)C1CC1 848229797 PQGGOTJXACSIBI-YUMQZZPRSA-N 211.265 -0.377 50 20 BBGD N[C@H]1C[C@H](NS(=O)(=O)CBr)C1 850586716 DHMJZSTWITVBRB-URHBZAFASA-N 243.126 -0.252 50 20 BBGD CCOC(=O)NNC(=O)C1(N(C)C)CC1 854164271 ZQEUNQFVQXDTKZ-UHFFFAOYSA-N 215.253 -0.142 50 20 BBGD O=C1NCC[C@H]1C(=O)NNc1cccc(F)n1 854443108 NQSNROYCUPUQJA-ZCFIWIBFSA-N 238.222 -0.200 50 20 BBGD CCc1nnc(O)c(C(=O)NN)c1CC 1118182450 CMZZAIZZJFCISO-UHFFFAOYSA-N 210.237 -0.090 50 20 BBGD COC(=O)NNC(=O)[C@H]1CCn2cncc2C1 1320261266 QSSXUYSQNNNXLZ-ZETCQYMHSA-N 238.247 -0.167 50 20 BBGD COC(=O)NNC(=O)c1cnn2ccncc12 1323035687 UAVUYBLOFBLFSP-UHFFFAOYSA-N 235.203 -0.270 50 20 BBGD C[C@H]1OCC[C@@H]1C(=O)NNC=C(C#N)C#N 1327072740 SWNREXHIIFJBAC-APPZFPTMSA-N 220.232 -0.037 50 20 BBGD O=C(NCC(F)F)C(=O)NNc1ccccn1 1343811094 DNXZEFGCUBGHDG-UHFFFAOYSA-N 244.201 -0.094 50 20 BBGD CNC(=S)N(C)NC(=O)c1nnc(C)s1 1351033456 RRURMBDDSDOKQB-UHFFFAOYSA-N 245.333 -0.073 50 20 BBGD NNC(=O)N[C@@H]1CCC2(C1)OCCO2 1580358251 AUVURTCREJOARC-ZCFIWIBFSA-N 201.226 -0.545 50 20 BBGD O=C(O)CCCC(=O)NNC(=O)[C@H]1CCCO1 1595027838 QPYGYNWOPMGUQO-SSDOTTSWSA-N 244.247 -0.432 50 20 BBGD CCO/C=C(\C#N)C(=O)NC[C@H](O)CC(=O)O 1596860617 AWNKJKDLBSWJLF-HYDMIIDASA-N 242.231 -0.618 50 20 BBGD CCCCO[C@H](C)C(=O)NNC(=O)CN(C)C 113424527 YXZXMXDZPSRTQK-SECBINFHSA-N 245.323 -0.099 50 20 BBGD CCOC(=O)NNC(=O)CN1CCCCC1=O 490809046 QSOJZIZHPOWFRN-UHFFFAOYSA-N 243.263 -0.224 50 20 BBGD CCCCNC(=O)NNC(=O)[C@@H]1C[C@H]1C(=O)O 736999233 UMRSOOZKEXLBPU-RNFRBKRXSA-N 243.263 -0.162 50 20 BBGD COC[C@](C)(O)C(=O)NNC(=O)C1CCCC1 754979758 CQHGEKABUHBUCI-NSHDSACASA-N 244.291 -0.279 50 20 BBGD CC1(C(=O)NNC(=O)Cc2cc[nH]n2)CC1 755290776 XDXBLLAESUOZRR-UHFFFAOYSA-N 222.248 -0.100 50 20 BBGD CCn1ccnc1C=NNC(=O)CN(C)C 755690099 WSKYTUYORYLSSK-UHFFFAOYSA-N 223.280 -0.085 50 20 BBGD CN(C)C(=O)NN=C1CCS(=O)(=O)CC1 814821339 QSINPLAEAFMERY-UHFFFAOYSA-N 233.293 -0.178 50 20 BBGD O=C(CN1CCCC1)NNC(=O)c1ncccn1 823682689 LQJRZGJCMVGZMR-UHFFFAOYSA-N 249.274 -0.667 50 20 BBGD CCN(CCO)NC(=O)C1(C(=O)NC)CCC1 823856411 QVSNWRYIZOTHPB-UHFFFAOYSA-N 243.307 -0.752 50 20 BBGD C[C@H](CO)N(C)NC(=O)[C@@H](C)n1cccn1 823965153 JIDAAYZGCJDKGP-RKDXNWHRSA-N 226.280 -0.212 50 20 BBGD CC(C)NC(=O)NNC(=O)[C@H](C)CC(=O)O 826976367 UNRGKWDSWLPCFG-ZCFIWIBFSA-N 231.252 -0.164 50 20 BBGD CCNC(=O)N(C)NC(=O)C[C@H]1CCC(=O)N1 831854100 NFWDIZFUMYUTCW-SSDOTTSWSA-N 242.279 -0.652 50 20 BBGD COCC(=O)NNC(=O)[C@H]1CCO[C@H]1C 843643071 LGMUVSBYHQNJRW-BQBZGAKWSA-N 216.237 -0.795 50 20 BBGD CC(C)C(=O)NNC(=O)[C@@H]1CCN(C)C(=O)C1 913160980 BFWJJICBHNQOKI-MRVPVSSYSA-N 241.291 -0.342 50 20 BBGD CNC(=O)NNC(=O)[C@@H]1CCC[C@H]1OC 1262605023 LDOCLWSISXVJEW-RNFRBKRXSA-N 215.253 -0.238 50 20 BBGD CC(C)NC(=S)NNC(=O)Cn1cccn1 1318002129 APWKQZNYRFHTJQ-UHFFFAOYSA-N 241.320 -0.213 50 20 BBGD O=C(NNC(=O)c1ccon1)NC1CC1 1318056626 OFOLXDTVWOGBBW-UHFFFAOYSA-N 210.193 -0.219 50 20 BBGD CO[C@H](C(=O)NNc1cnnn1C)C1CC1 1331392907 LPLWOSVMKCZUFT-QMMMGPOBSA-N 225.252 -0.317 50 20 BBGD CCC(=NNC(=O)C(=O)O)[C@@H]1CCOC1 1594693946 IWKCHPNLZVRJEB-ZCFIWIBFSA-N 214.221 -0.010 50 20 BBGD Cc1ncc(C=NNC(=O)C(=O)O)n1C 1600736214 KRWMBCKSRWXYJB-UHFFFAOYSA-N 210.193 -0.737 50 20 BBGD Cn1cc(C(=O)NN[C@H](C(=O)O)C2CC2)cn1 1600932810 RLGYUWJLKIEQEC-QMMMGPOBSA-N 238.247 -0.482 50 20 BBGD C=C[C@@H](NNC(=O)[C@H]1C[C@H]2CC[C@H]1O2)C(=O)O 1602819257 QXNMLDMQWRUHNJ-BZNPZCIMSA-N 240.259 -0.186 50 20 BBGD C=C[C@@H](NNC(=O)[C@H]1CCCCO1)C(=O)O 1602819275 RMFQTZFZHSRJJL-HTQZYQBOSA-N 228.248 -0.185 50 20 BBGD COc1nnccc1NC(=O)NNC(C)=O 288856676 JDMPYARODUMJCV-UHFFFAOYSA-N 225.208 -0.342 50 20 BBGD O=S(=O)(CC1CCCCC1)NCB(O)O 585054001 FSMVPMPIEPKPDP-UHFFFAOYSA-N 235.114 -0.502 50 20 BBGD O=C(NCB(O)O)c1ccc(Br)o1 585057401 TVRYSKOFWFYXMX-UHFFFAOYSA-N 247.841 -0.216 50 20 BBGD CC(C)[C@H](C(=O)O)C(=O)N1CC[C@@H](B(O)O)C1 585063658 DXIPXKURHRRUNB-SFYZADRCSA-N 243.068 -0.582 50 20 BBGD O=C(CCn1ccnn1)NNC(=O)C1CCC1 732141660 MDCVSUIRPXRUMN-UHFFFAOYSA-N 237.263 -0.384 50 20 BBGD O=C(NN=C1CCOC1)C(=O)Nc1ccccn1 758382532 XFEMZTGMOSKKOZ-UHFFFAOYSA-N 248.242 -0.087 50 20 BBGD CCN1CCOC[C@H]1C(=O)NNC(=O)C(C)C 767180099 VHFSKUBYOAYOSZ-VIFPVBQESA-N 243.307 -0.490 50 20 BBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@H](C)N(C)C 843980966 YXGHPDHXPAHYOC-XHNCKOQMSA-N 243.307 -0.491 50 20 BBGD CCC[C@H](C)C(=O)NNC(=O)[C@H]1CCC(=O)N1 862455834 RNHFQCDEEXVBCD-JGVFFNPUSA-N 241.291 -0.151 50 20 BBGD CC(C)C#CC(=O)NNC(=O)[C@H]1CCC(=O)N1 862462172 VETJQYJKBXICGS-MRVPVSSYSA-N 237.259 -0.928 50 20 BBGD CCCONC(=O)c1cc(B(O)O)ccc1F 863884227 CRRPSUVGSQAOSH-UHFFFAOYSA-N 241.027 -0.423 50 20 BBGD Cc1cc(CC(=O)NN(C)C[C@H](C)O)no1 910168171 QFIDPHRQCSZHOM-ZETCQYMHSA-N 227.264 -0.131 50 20 BBGD C[C@H](O)CN(C)NC(=O)[C@H]1CCCC(=O)N1C 910181935 DSTMCAZLSNXQHR-DTWKUNHWSA-N 243.307 -0.659 50 20 BBGD CCC(=O)NNC(=S)NCCCN(C)C 916546047 AJXWXZCWDSNXHA-UHFFFAOYSA-N 232.353 -0.157 50 20 BBGD O=C(Cc1cccnc1)NNc1nc[nH]n1 1117721865 ADRFXOCNTRXOPI-UHFFFAOYSA-N 218.220 -0.115 50 20 BBGD Cc1nc(C=NNC(=O)[C@@H]2CCC(=O)N2)[nH]c1C 1118948879 HLLMURDWMIJKAP-QMMMGPOBSA-N 249.274 -0.245 50 20 BBGD CN(C)C(=O)NNC(=O)c1cn(C)cn1 1319522075 ZPKIJTOCCSNXAE-UHFFFAOYSA-N 211.225 -0.664 50 20 BBGD O=C1CC[C@@H](C(=O)NN=Cc2cc[nH]n2)N1 1331722739 KDMHORBUTZBVMJ-ZETCQYMHSA-N 221.220 -0.862 50 20 BBGD C[C@H](NC(N)=O)C(=O)NN[C@@H](C)C(F)(F)F 1331790946 NSTHBBSOCMSQLK-IMJSIDKUSA-N 242.201 -0.385 50 20 BBGD C[C@@H](CO)N(C)NC(=O)[C@@]1(C(=O)O)CC1(C)C 1589072774 CWRFJXGTTGAZBY-WRWORJQWSA-N 244.291 -0.169 50 20 BBGD CN(C)CC(=O)NNC(=O)c1ccccn1 171347908 DKBJIOCSYGXMSE-UHFFFAOYSA-N 222.248 -0.596 50 20 BBGD CCOc1ccccc1C(=O)NNC(=O)CO 180955974 PJHVGZLCQLOTNV-UHFFFAOYSA-N 238.243 -0.161 50 20 BBGD CCNC(=O)N(C)NC(=O)C1=COCCO1 272700113 UDBYCDJEZWGMFC-UHFFFAOYSA-N 229.236 -0.433 50 20 BBGD CC(C)(C)OC(=O)NNC(=O)[C@@H]1CCC(=O)N1 298310829 RKWJKMBZBWKHRW-LURJTMIESA-N 243.263 -0.179 50 20 BBGD CCO[C@H]1C[C@@H]1C(=O)NNC(=O)NC 299094603 BCMOXXVVIFHYQO-WDSKDSINSA-N 201.226 -0.628 50 20 BBGD CCC[C@](C)(O)CNCc1ccc(B(O)O)o1 585024129 QQGHTZNSYGXTNW-NSHDSACASA-N 241.096 -0.400 50 20 BBGD CC(C)NC(=O)C(=O)NN=C1CCOC1 731925241 VBMGVJUKSCPSRJ-UHFFFAOYSA-N 213.237 -0.597 50 20 BBGD CC(=O)NNC(=O)[C@@H](C)N1CCSCC1 763387465 JXFWNDBEYOOZMT-SSDOTTSWSA-N 231.321 -0.409 50 20 BBGD CC(=O)NNC(=O)c1cc([N+](=O)[O-])n[nH]1 794604308 GBWYCQXLJNZHPD-UHFFFAOYSA-N 213.153 -0.901 50 20 BBGD CC#CC(=O)NNC(=O)Cc1ccncc1 801164790 BJERNXZYOKGTIG-UHFFFAOYSA-N 217.228 -0.205 50 20 BBGD CCO[C@H]1CC(=NNC(=O)C(N)=O)[C@@H]1SC 807944714 MWYJIYPKPDXKGK-BQBZGAKWSA-N 245.304 -0.516 50 20 BBGD CCN1CCOC[C@@H]1C(=O)NN(C)[C@@H](C)CO 823939020 DVZJUAXNHFIVJE-VHSXEESVSA-N 245.323 -0.949 50 20 BBGD Cc1ccncc1CC(=O)NN(C)C(N)=O 831520819 ZVGMAXSPRUZZJZ-UHFFFAOYSA-N 222.248 -0.026 50 20 BBGD CN1CCO[C@H](C(=O)NNc2ccncn2)C1 857520679 IUSMBASUPMVCJC-QMMMGPOBSA-N 237.263 -0.750 50 20 BBGD CCC(CC)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862451185 JVTCTTJSWWFMLA-QMMMGPOBSA-N 241.291 -0.151 50 20 BBGD COC(=O)N(C)NC(=O)NCc1cncn1C 875591615 PHDVCMXDOMRHAD-UHFFFAOYSA-N 241.251 -0.168 50 20 BBGD C[C@H]1COCC1=NNC(=O)C(=O)N1CCCC1 884424954 QHVPDAWWMRFATI-QMMMGPOBSA-N 239.275 -0.253 50 20 BBGD COC(=O)NNC(=O)[C@](C)(NC(C)=O)C(C)C 891772727 ROHZDPAKVBAKSQ-SNVBAGLBSA-N 245.279 -0.076 50 20 BBGD CC[C@H](CO)C(=O)NNC(=S)NC(C)C 1333074510 ZUCSDGIADWYYSA-SSDOTTSWSA-N 233.337 -0.091 50 20 BBGD CC[C@H](F)C(=O)NNC(=O)c1cnn(C)c1 1357926541 ZQOKRSBYZQRADR-ZETCQYMHSA-N 228.227 -0.071 50 20 BBGD C[C@@H]1CC[C@H](NC(=O)NNC(=O)C(=O)O)C1 1594312602 CTKGZYAFMHDLGG-RITPCOANSA-N 229.236 -0.410 50 20 BBGD CCCCNC(=O)NNC(=O)[C@H](C)C(=O)O 1603648453 IKYWZNJZJNDTTC-LURJTMIESA-N 231.252 -0.162 50 20 BBGD NC(=O)C(=O)NNC(=O)c1ccccc1F 5945848 IGCXNFKRNAUWTN-UHFFFAOYSA-N 225.179 -0.928 50 20 BBGD CNC(=O)NNC(=O)[C@@H](C)Oc1cccnc1 117765735 OVMDFDZKGYHUNR-SSDOTTSWSA-N 238.247 -0.191 50 20 BBGD COCCN(CCO)S(=O)(=O)CCl 124032175 MBDOUZXXCZQJQE-UHFFFAOYSA-N 231.701 -0.547 50 20 BBGD C=CCNC(=S)NNC(=O)/C=C/CN(C)C 281399817 YMOPUFQNSVVUCW-AATRIKPKSA-N 242.348 -0.215 50 20 BBGD CCOC(=O)NCCC(=O)NNC(C)=O 495408140 PTEWKIWXWOVDDF-UHFFFAOYSA-N 217.225 -0.710 50 20 BBGD C#CCO[C@@H](C)C(=O)NNC(=O)OCC 496841207 SBBWZCJBYVHQOY-ZETCQYMHSA-N 214.221 -0.198 50 20 BBGD CC(C)[C@@H](O)C(=O)Nc1cccc(B(O)O)c1 584914239 SVGFICFDCJOOOY-SNVBAGLBSA-N 237.064 -0.678 50 20 BBGD CS/C=C/C(=O)N1CC[C@@H](B(O)O)C1 585067498 SVPIFHWWJMULHO-OHCKJTPYSA-N 215.083 -0.062 50 20 BBGD NC(=O)NNC(=O)COc1ccccc1F 700876613 JMAPLMUIBVRVMZ-UHFFFAOYSA-N 227.195 -0.096 50 20 BBGD CCOC(=O)c1nn(C)cc1C=NNC(N)=O 769764839 DDWNAJACOGVSTJ-UHFFFAOYSA-N 239.235 -0.401 50 20 BBGD CSC1(C(=O)NNC(=O)CN(C)C)CCC1 787886706 MPLWODZDLFYQKQ-UHFFFAOYSA-N 245.348 -0.019 50 20 BBGD Cc1c(CC(=O)NNC(=O)C2CC2)cnn1C 794185707 PONAOCCJQYIQMF-UHFFFAOYSA-N 236.275 -0.172 50 20 BBGD COC(=O)N(C)NC(=O)c1n[nH]c(C)c1O 804124316 NLDJXNTWINZASX-UHFFFAOYSA-N 228.208 -0.233 50 20 BBGD C[C@H](CO)N(C)NC(=O)Cc1ccncc1 823976977 LXRUHTDJBVNWTK-SECBINFHSA-N 223.276 -0.032 50 20 BBGD C=CCOCC(=O)NNC(=O)[C@@H]1CCCCO1 833251529 ZPWSGLIGNKLERQ-VIFPVBQESA-N 242.275 -0.095 50 20 BBGD CN1CCC(=NNC(=O)[C@@H]2CCCCO2)C1=O 834987432 XJUNHALMBVRHHD-VIFPVBQESA-N 239.275 -0.110 50 20 BBGD COC(=O)CNC(=O)NN=C1CO[C@@H](C)C1 842530655 ZHGKMVGQKGKLOD-LURJTMIESA-N 229.236 -0.377 50 20 BBGD CCOC(=O)NNC(=O)[C@@H]1CCCNC1=O 864430454 XICARNGFAUQWOP-ZCFIWIBFSA-N 229.236 -0.710 50 20 BBGD C[C@@H](O)CN(C)NC(=O)c1cnn(C)c1 910177698 OKLSKWXQJHEJJS-SSDOTTSWSA-N 212.253 -0.623 50 20 BBGD CC(=O)NNC(=O)CCCn1cncn1 1119530405 ZEQXICJTCQHABJ-UHFFFAOYSA-N 211.225 -0.774 50 20 BBGD O=C1NCCN1CCNS(=O)(=O)CCl 1260927713 XTFZTERRISTSRD-UHFFFAOYSA-N 241.700 -0.873 50 20 BBGD Cc1ncc(C(=O)NNC(=O)N(C)C)c(N)n1 1328186470 VSIVDZOLWBEWTL-UHFFFAOYSA-N 238.251 -0.717 50 20 BBGD O=C1NCC[C@H]1C(=O)NNc1ccncn1 1328403061 STXZMJGTOPIALH-ZCFIWIBFSA-N 221.220 -0.944 50 20 BBGD CCN(CCO)NC(=O)CCc1ccon1 1329806097 IHOCBLZWNGHWDV-UHFFFAOYSA-N 227.264 -0.047 50 20 BBGD CN(C)C(=O)NNC(=O)Cc1cnc[nH]1 1331921817 ABJKOFPKWPREPW-UHFFFAOYSA-N 211.225 -0.745 50 20 BBGD C=C(CO)C(=O)NNC(=S)NC(C)(C)C 1332378689 GNCAFCTXCKUZKX-UHFFFAOYSA-N 231.321 -0.171 50 20 BBGD NC1(CNC(=O)NNC(=O)C2CCC2)CC1 1337023569 BONQWKIQSFTJPH-UHFFFAOYSA-N 226.280 -0.392 50 20 BBGD C[C@@H](C(=O)NNC(=O)N(C)C)C1CNC1 1575070273 WLCXVQUZRKYHFE-ZCFIWIBFSA-N 214.269 -0.856 50 20 BBGD CCOC(=O)NNC(=O)[C@H](N)CCC(=O)OC 1578006342 FKPJIVGZPVTHSP-ZCFIWIBFSA-N 247.251 -0.956 50 20 BBGD C[C@H](Cl)C(=O)N1C[C@H]2C(=O)N(C)C(=O)[C@H]2C1 409432818 WLLNEKQWLWPXPN-LYFYHCNISA-N 244.678 -0.313 50 20 BBGD CCOC(=O)NNC(=O)c1ccnn1C 496106572 MNGOBUFLNXOIQC-UHFFFAOYSA-N 212.209 -0.189 50 20 BBGD C[C@@H](CCN(C)C)NCc1ccc(B(O)O)o1 585021671 YMMDTMGJBNOIQG-VIFPVBQESA-N 240.112 -0.611 50 20 BBGD OB(O)c1ccc(CNCCCCF)o1 585043929 XDIMXASENJGOOP-UHFFFAOYSA-N 215.033 -0.201 50 20 BBGD O=C(O)C1(C(=O)NCB(O)O)CCCCCC1 585062034 ANRQZWHNRYTMJW-UHFFFAOYSA-N 243.068 -0.460 50 20 BBGD CCC(=O)N[C@H](C)C(=O)NNC(=O)C1CCC1 732142161 UKWKYXJRXIBCOU-SSDOTTSWSA-N 241.291 -0.151 50 20 BBGD C[C@@H](O)CCN(C)CC(=O)NNC(=O)C1CC1 744406968 PEXOHMNXKKJHJD-MRVPVSSYSA-N 243.307 -0.754 50 20 BBGD CCOCC(=O)NNC(=O)NOCC 776210085 IEHGKWRKWKMJME-UHFFFAOYSA-N 205.214 -0.695 50 20 BBGD CC(C)N1CC(=NNC(=O)CO)[C@@H](C)C1 776780541 KUIARVVELMIXDN-QMMMGPOBSA-N 213.281 -0.189 50 20 BBGD CCCn1cc(C(=O)NN(C)C(N)=O)cn1 782025274 CRCKETOBCLFSPS-UHFFFAOYSA-N 225.252 -0.052 50 20 BBGD CCC[C@@](C)(O)C(=O)NN(CC)CCO 823870108 YXKKASXZLSGQLQ-SNVBAGLBSA-N 218.297 -0.117 50 20 BBGD CCn1ccc(CC(=O)NN(C)[C@H](C)CO)n1 823913118 OQIAVGLBSCXQQS-SECBINFHSA-N 240.307 -0.211 50 20 BBGD CCO/C=C/C(=O)NN(C)[C@@H](C)CO 823923114 PCRHOHCXNURDIX-GJIOHYHPSA-N 202.254 -0.120 50 20 BBGD COc1cc(C(=O)NN(C)[C@H](C)CO)on1 823935945 YGILWEYBDDBTSG-ZCFIWIBFSA-N 229.236 -0.359 50 20 BBGD COC(=O)NCCCC(=O)NN(C)[C@H](C)CO 823959513 KEVNVONTMQLVQZ-MRVPVSSYSA-N 247.295 -0.534 50 20 BBGD CCC(=O)NNC(=O)[C@@H](C)N1CC[C@@H](CN)C1 843348642 VDOLTGUVEFSRME-BDAKNGLRSA-N 242.323 -0.787 50 20 BBGD CN(C[C@@H]1COCCO1)S(=O)(=O)CCl 849450232 FWCONBBKKGEHFU-SSDOTTSWSA-N 243.712 -0.140 50 20 BBGD CC(C)(N)CNS(=O)(=O)CBr 850584485 NGLXLWVRPXKQLI-UHFFFAOYSA-N 245.142 -0.005 50 20 BBGD CNC(=O)CCCC(=O)NN(C)C(=S)NC 854922836 RUOQQROMDBOJPH-UHFFFAOYSA-N 246.336 -0.630 50 20 BBGD CCn1ccc(C(=O)NN(C)C(=S)NC)n1 854928139 YBHOAGRRXWQHMG-UHFFFAOYSA-N 241.320 -0.016 50 20 BBGD CC[C@H](CO)C(=O)NN(C)C[C@H](C)O 910139429 ABCNHNOHLQPOIZ-JGVFFNPUSA-N 204.270 -0.651 50 20 BBGD CNC(=O)NNC(=O)[C@@](C)(NC(C)=O)C(C)C 930584778 OVBCDLFTCHZRKU-JTQLQIEISA-N 244.295 -0.503 50 20 BBGD COC(=O)NNC(=O)c1ccc(C(N)=O)s1 1320262230 VZIIIHULYWPGSI-UHFFFAOYSA-N 243.244 -0.152 50 20 BBGD CC(C)C(=O)NNC(=O)c1cnnc(O)c1 1328084565 ATPXZTHUHHRGTE-UHFFFAOYSA-N 224.220 -0.401 50 20 BBGD COC(=O)C(=O)NN=Cc1ccn(C)c1 1331093711 FSISDIJBYLZIBH-UHFFFAOYSA-N 209.205 -0.352 50 20 BBGD Cc1cnc(C=NNC(=O)[C@H]2CCC(=O)N2)o1 1335347014 JYJZLAGCSRPVIT-SSDOTTSWSA-N 236.231 -0.288 50 20 BBGD C[C@@H](C#N)C(=O)NNC(=O)Cc1cc[nH]n1 1337766768 OXUVUMRFTHPABC-LURJTMIESA-N 221.220 -0.741 50 20 BBGD CN(C)C/C=C/C(=O)NNC(=O)c1ccc[nH]1 265689722 YGHDKYDRFRJIJS-GQCTYLIASA-N 236.275 -0.107 50 20 BBGD CCN1CC(NCc2cccc(B(O)O)c2)C1 585043652 QABNYFYMILPHIL-UHFFFAOYSA-N 234.108 -0.840 50 20 BBGD O=C(NNC(=O)[C@@H]1CCCOC1)NC1CC1 727732827 VUJWOCDIMPJZQN-SSDOTTSWSA-N 227.264 -0.094 50 20 BBGD CCNC(=O)NNC(=O)[C@@H]1CN(CC)CCO1 746167046 MGTVRTUCIGSVRM-QMMMGPOBSA-N 244.295 -0.943 50 20 BBGD CC[C@@H]1CC[C@@H](C(=O)NNC(=O)NC)O1 756922774 QXOLFOZNJPWKCM-RQJHMYQMSA-N 215.253 -0.096 50 20 BBGD CN(NC(=O)CCn1cccn1)C(N)=O 770437959 FKTFBHKUCRCBQL-UHFFFAOYSA-N 211.225 -0.685 50 20 BBGD C=CCNC(=S)NNC(=O)c1ccnn1C 798305182 KNLSJUSKQOMLKW-UHFFFAOYSA-N 239.304 -0.285 50 20 BBGD COCC(=O)NN=C(C)c1cnnn1C 814872325 KRDNIMFXTFOIRS-UHFFFAOYSA-N 211.225 -0.698 50 20 BBGD COCCOC(=O)/C(C#N)=C/c1cnn(C)n1 821027796 LSADITSFPFPHMB-VMPITWQZSA-N 236.231 -0.088 50 20 BBGD CCN(CC)CC(=O)NN(C)[C@@H](C)CO 823952984 WCOTXUVELBQOJY-VIFPVBQESA-N 217.313 -0.328 50 20 BBGD C[C@@H](CO)N(C)NC(=O)[C@H](C)n1cccn1 823965152 JIDAAYZGCJDKGP-IUCAKERBSA-N 226.280 -0.212 50 20 BBGD Cc1nc(O)[nH]c1C(=O)NNC(=O)CC1CC1 848144023 IJLGQGFYAZLVDK-UHFFFAOYSA-N 238.247 -0.015 50 20 BBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1ncc[nH]1 855005132 CCFWJVJZDASWGH-RQJHMYQMSA-N 238.247 -0.404 50 20 BBGD CN(CC(=O)NNc1nc[nH]n1)C1CCC1 863916254 CEPPCRIFUKPDEA-UHFFFAOYSA-N 224.268 -0.268 50 20 BBGD COCCOCC(=O)NNC(=O)C#CC1CC1 869906007 TWTUCFIUYKFRNO-UHFFFAOYSA-N 240.259 -0.790 50 20 BBGD C[C@H](O)CN(C)NC(=O)C1=COCCO1 910183171 OETCIQYTXPVCMV-ZETCQYMHSA-N 216.237 -0.782 50 20 BBGD CC(=O)NNC(=O)CS(=O)(=O)C1CCCC1 918688330 GBSDHTIMHXVZQP-UHFFFAOYSA-N 248.304 -0.489 50 20 BBGD CNC(=O)NNC(=O)CCc1cn(C)nc1C 1318513107 CDGIOYHELXYOMT-UHFFFAOYSA-N 239.279 -0.379 50 20 BBGD CN(NC(=O)c1ccc(C=O)[nH]1)C(N)=O 1319891550 JCRCLZFUVGGYBC-UHFFFAOYSA-N 210.193 -0.518 50 20 BBGD CC(=O)NNC(=S)NC1CCN(C)CC1 1321993859 IYXUPJNBKSPTFY-UHFFFAOYSA-N 230.337 -0.404 50 20 BBGD Cc1cc(C(=O)NNC(=O)N(C)C)on1 1324685089 WMKCVQDLJFTDGE-UHFFFAOYSA-N 212.209 -0.101 50 20 BBGD N#Cc1ccc(C=NNC(=O)CCO)o1 1339924230 HDZKKJIOHQPDGD-UHFFFAOYSA-N 207.189 -0.016 50 20 BBGD CC(C)NC(=S)NNC(=O)[C@@H]1CCNC1=O 1347279585 BZTDEVAMINLTSZ-ZCFIWIBFSA-N 244.320 -0.974 50 20 BBGD CC(=O)NNC(=O)c1cnn2c1NC[C@H](C)C2 1520729857 ZUHWWCJHBOZSEJ-LURJTMIESA-N 237.263 -0.274 50 20 BBGD C[C@@H]1C[C@@]1(C(=O)O)C(=O)NNC(=O)N(C)C 1594228118 JBBFTBGVTLGIMQ-ANLVUFKYSA-N 229.236 -0.600 50 20 BBGD COCCC(COC)=NNC(=O)C(=O)O 1599212002 QSWFJXZCZABJJT-UHFFFAOYSA-N 218.209 -0.774 50 20 BBGD O=C(O)[C@@H](NS(=O)(=O)CCl)C1CC1 1608552709 MDTALNXBUUMDMP-YFKPBYRVSA-N 227.669 -0.035 50 20 BBGD CCCCNC(=O)NNC(=O)COC 64426376 WCDXUVYVWNXVHM-UHFFFAOYSA-N 203.242 -0.237 50 20 BBGD CCOCCCC(=O)NN(C)C(N)=O 181072462 UFWGPFCLNULIAP-UHFFFAOYSA-N 203.242 -0.155 50 20 BBGD COC(=O)NNC(=O)CCCN(C)C(=O)OC 274282968 KKFQFISLCDNAHD-UHFFFAOYSA-N 247.251 -0.148 50 20 BBGD CC(C)C(=O)NNC(=O)CN1CSCC1=O 726098088 VYIRXGWVIWHIQU-UHFFFAOYSA-N 245.304 -0.677 50 20 BBGD C[C@H]1CN(C)CC1=NNC(=O)CN(C)C 752164735 LIVABZXZYJZFAW-QMMMGPOBSA-N 212.297 -0.398 50 20 BBGD COCC1(C(=O)NNC(=O)CN(C)C)CC1 779196641 FYCPCUDLXHINDP-UHFFFAOYSA-N 229.280 -0.878 50 20 BBGD COC/C(C)=C\C(=O)NN(C)[C@@H](C)CO 823913254 QQZFXLVSTJSICC-RDOCRHDPSA-N 216.281 -0.077 50 20 BBGD Cc1cc(=NNC(=O)CCn2cncn2)cc[nH]1 862509467 NGKPIQUMLKLYSR-UHFFFAOYSA-N 246.274 -0.063 50 20 BBGD CC(=NNC(=O)[C@@H]1CCC(=O)N1)[C@H]1CCOC1 863148675 HWFRWALMMQZWSN-IUCAKERBSA-N 239.275 -0.206 50 20 BBGD C#CCOCCC(=O)NNC(=O)c1cccnn1 882057198 QFPKNOHQEUOIPR-UHFFFAOYSA-N 248.242 -0.723 50 20 BBGD CN1CCC[C@@H]1C(=O)NNc1cnnn1C 897845844 GXINPOBVOFTORZ-SSDOTTSWSA-N 224.268 -0.648 50 20 BBGD CC[C@H](O)[C@@H](C)C(=O)NNC(=O)NC1CC1 900382406 CTGWVHWNICAAKN-SVRRBLITSA-N 229.280 -0.114 50 20 BBGD C[C@H](O)CN(C)NC(=O)[C@@H]1C[C@@]12CCOC2 910161292 UQHNWFTYRZSVSP-ATZCPNFKSA-N 228.292 -0.243 50 20 BBGD CNC(=O)NNC(=O)CCCC(C)=O 1115898074 CSRPPNQAOQGVNC-UHFFFAOYSA-N 201.226 -0.294 50 20 BBGD CN(NC(=O)CC[C@]1(C)CCC(=O)N1)C(N)=O 1116554113 GPFLEBDBEYISGR-JTQLQIEISA-N 242.279 -0.523 50 20 BBGD CC(=O)NNC(=O)CS(=O)(=O)C(C)(C)C 1117778500 VWCOQSQPJVLKDI-UHFFFAOYSA-N 236.293 -0.633 50 20 BBGD O=C(NNC(=O)[C@H]1CCOC1)c1cccnn1 1330802056 GLMLCSIYZSVULG-ZETCQYMHSA-N 236.231 -0.726 50 20 BBGD CCCNC(=O)NNC(=O)c1cnnn1C 1344534505 OEQLQNFVCYQPQU-UHFFFAOYSA-N 226.240 -0.831 50 20 BBGD CC(=NNC(=O)C(N)=O)C1CCN(C)CC1 1347621335 AJVPEIITJHJIHE-UHFFFAOYSA-N 226.280 -0.694 50 20 BBGD CCNC(=O)N(C)NC(=O)[C@H](CC)CN 1574076340 FAOFYILCURUGPL-SSDOTTSWSA-N 216.285 -0.336 50 20 BBGD CN(C)C(=O)NNC(=O)C12CC(C(=O)O)(C1)C2 1598140574 XSEQQRFNYMVFOY-UHFFFAOYSA-N 241.247 -0.456 50 20 BBGD CNC(=O)NNC(=O)[C@H](C)NC(=O)C(C)(C)C 97714340 WWWBLESMOYGNHU-LURJTMIESA-N 244.295 -0.503 50 20 BBGD CC1(C)C[C@@H]1C(=O)NNC(=O)C(=O)NC1CC1 152161256 MOXPYDUQEKYMHH-SSDOTTSWSA-N 239.275 -0.542 50 20 BBGD NNC(=O)CCNC(=O)Cc1ccccc1 270206146 HXOBVOLEWBWKAM-UHFFFAOYSA-N 221.260 -0.275 50 20 BBGD CC[C@@H](C(=O)NNC(C)=O)C(=O)OC 276684084 LPFJLAHBFQXDPS-LURJTMIESA-N 202.210 -0.647 50 20 BBGD CCC(=O)NN=Cc1c(N)ncnc1OC 309246465 CKQDRCIQLCEOJW-UHFFFAOYSA-N 223.236 -0.073 50 20 BBGD CCNC(=O)NNC(=O)CN(C)C(=O)OC 490833345 RSKWNSISXMGILC-UHFFFAOYSA-N 232.240 -0.965 50 20 BBGD CCO/C=C(\C#N)C(=O)N[C@H]1CNC(=O)C1 490844626 QZZHDYSESJHCMV-HYDMIIDASA-N 223.232 -0.565 50 20 BBGD COC(=O)N(C)NC(=O)c1coc(C(N)=O)c1 495764452 XEDNTXLYFVONMC-UHFFFAOYSA-N 241.203 -0.279 50 20 BBGD CCCN(C)C(=O)c1cc(B(O)O)ccc1F 584937233 SCAZDOYIUFJIMY-UHFFFAOYSA-N 239.055 -0.013 50 20 BBGD Cc1cc(CNCc2ccc(B(O)O)o2)no1 585019231 GQXZUYDKPSMIKS-UHFFFAOYSA-N 236.036 -0.454 50 20 BBGD CO[C@H](C)[C@@H](C)NCc1ccccc1B(O)O 585040433 FHUJDYOMDNRKJP-NXEZZACHSA-N 237.108 -0.121 50 20 BBGD C[C@H](OCC1CC1)C(=O)N1CC[C@@H](B(O)O)C1 585075269 FXURYXBBGRFWTJ-WCBMZHEXSA-N 241.096 -0.123 50 20 BBGD CC(=O)NNC(=O)CCCN(C)C(=O)O 736156459 WGEKZXCXWIUGHP-UHFFFAOYSA-N 217.225 -0.456 50 20 BBGD COc1ccc(C(=O)NNC(C)=O)nn1 738505556 NHDWBWSXCWDLSE-UHFFFAOYSA-N 210.193 -0.734 50 20 BBGD CN(C)CC(=O)NN=Cc1cnc2ncccn12 755689697 RXXVPIHTPMAFAE-UHFFFAOYSA-N 246.274 -0.259 50 20 BBGD Cn1ncc(C(=O)NNC(=O)c2cccnc2)n1 785671129 WRXJLZNHEUYTAM-UHFFFAOYSA-N 246.230 -0.715 50 20 BBGD COCC(=O)NN=C1CC(=O)N2CCCC[C@@H]12 799484198 XXHPWRCTHHPVLH-VIFPVBQESA-N 239.275 -0.110 50 20 BBGD Cn1cnc(C(=O)NNC(=O)c2ccccc2)n1 809953999 UMLAPHGPRFMEGQ-UHFFFAOYSA-N 245.242 -0.110 50 20 BBGD Cc1cc(C)nc(NNC(=O)[C@@H]2CC(=O)N2)n1 820523123 FHPPDEODSJWNNQ-ZETCQYMHSA-N 235.247 -0.575 50 20 BBGD CCN(CCO)NC(=O)/C=C/c1cnn(C)c1 823837504 DNQJHNNOWLYCTC-SNAWJCMRSA-N 238.291 -0.221 50 20 BBGD C[C@@H](CO)N(C)NC(=O)[C@@H]1CCCN1C1CC1 823928305 MNOKUYLTTDOXRT-ONGXEEELSA-N 241.335 -0.043 50 20 BBGD CCNC(=O)N(C)NC(=O)C(C)(C)CO 847686189 CABZCZWMHDGIIT-UHFFFAOYSA-N 217.269 -0.303 50 20 BBGD COC(=O)COCC(=O)NCCCSC#N 854360604 SWVRSVVLBRCNLG-UHFFFAOYSA-N 246.288 -0.103 50 20 BBGD C#CCCCCNC(=O)c1ccc(B(O)O)cc1 863876573 GFTRPPTWOPPKNL-UHFFFAOYSA-N 245.087 -0.100 50 20 BBGD Cc1ccn(C[C@H](C)C(=O)NN(C)C(N)=O)n1 867126945 HTUNCZMNFFBECT-ZETCQYMHSA-N 239.279 -0.131 50 20 BBGD C#CCCCC(=O)NNC(=O)[C@H]1C[C@@H](O)C1 887151629 FIXWMBFCKXDLMJ-DTORHVGOSA-N 224.260 -0.292 50 20 BBGD C[C@H]1CCN1C(=O)c1cccc(B(O)O)c1 914165731 MQHDNLSBUFHJMI-QMMMGPOBSA-N 219.049 -0.399 50 20 BBGD COC(=O)[C@@H](NNC(C)=O)c1cccnc1 1116322374 DZHPUNCLQKNITO-VIFPVBQESA-N 223.232 -0.064 50 20 BBGD COCC(=O)NN=C(C)c1ccc(O)nn1 1116744673 UCQBGMCZERPAKD-UHFFFAOYSA-N 224.220 -0.331 50 20 BBGD CC(=NNC(=O)CCO)c1cnn(C)c1C 1254294359 MCPPJJHRSGBEFR-UHFFFAOYSA-N 224.264 -0.049 50 20 BBGD CC(C)C(=O)NNC(=O)NCc1nccn1C 1318973009 VVYJKAGYKBJJBP-UHFFFAOYSA-N 239.279 -0.094 50 20 BBGD C[C@@H](C(=O)NNc1nc[nH]n1)n1cncn1 1324275503 DWSDRXHFHVRBNU-YFKPBYRVSA-N 222.212 -0.900 50 20 BBGD O=C1CC[C@@H](C(=O)NNC(=O)[C@H]2CC2(F)F)N1 1330108651 PUDUSLBBHHCIGU-UHNVWZDZSA-N 247.201 -0.932 50 20 BBGD COC(=O)N(C)NC(=O)N[C@H]1CCN(C)C1=O 1330697448 QBGBHFIHDBVEOH-LURJTMIESA-N 244.251 -0.871 50 20 BBGD COCCN(CC(C)C)NC(=O)[C@H]1C[C@H]1N 1579026993 YQDWNSAICOTBRM-VHSXEESVSA-N 229.324 -0.031 50 20 BBGD CC(C)(C)OCCNC(=O)NNC(=O)C(=O)O 1609668923 ZMQMUVRUYQYNBO-UHFFFAOYSA-N 247.251 -0.784 50 20 BBGD CC[C@@H](C)CC(=O)NNC(=O)C(=O)NC1CC1 191253622 HGDWWEATUVZSSV-SSDOTTSWSA-N 241.291 -0.151 50 20 BBGD CN1C[C@@H](C(=O)NNC(=O)CC2CC2)CC1=O 294327932 YTUGPEWCTPCOGZ-QMMMGPOBSA-N 239.275 -0.588 50 20 BBGD CNC(=O)NNC(=O)CN(C)C(C)C 299491936 IRNHLXHXBOPTRG-UHFFFAOYSA-N 202.258 -0.713 50 20 BBGD CCO/C=C/C(=O)NNC(=O)c1cnn(C)c1 493817234 HITAWTTVZZMLCU-SNAWJCMRSA-N 238.247 -0.269 50 20 BBGD COC(=O)N(C)NC(=O)c1ccc(C(N)=O)o1 496893024 PSZXSCXZPYZDOO-UHFFFAOYSA-N 241.203 -0.279 50 20 BBGD CN(C(=O)c1ccc(B(O)O)c(F)c1)C1CC1 584935356 HTGWUFAMBNXUNC-UHFFFAOYSA-N 237.039 -0.260 50 20 BBGD CO[C@H]1CC[C@@H](NCc2ccc(B(O)O)o2)C1 585038180 VLONIBKONNMGOV-BDAKNGLRSA-N 239.080 -0.384 50 20 BBGD Cn1cncc1CNCc1ccc(B(O)O)cc1 585040190 BCTHYZPBDMEIFT-UHFFFAOYSA-N 245.091 -0.610 50 20 BBGD CCNC(=O)CCC(=O)NNC(=O)C1CC1 732051343 HWMQPCHKIYOHLZ-UHFFFAOYSA-N 227.264 -0.540 50 20 BBGD COCC(=O)NNC(=O)Nc1ccon1 757852206 NTBSEFNHDDQQQO-UHFFFAOYSA-N 214.181 -0.526 50 20 BBGD CC(C)(O)C(=O)NNC(=O)C1=CCCCO1 768254816 FAXMKFOALPUFNP-UHFFFAOYSA-N 228.248 -0.401 50 20 BBGD CC(=O)NNS(=O)(=O)N1CC[C@H](C)C1 775247915 IJYBWGFSTZMKKZ-LURJTMIESA-N 221.282 -0.786 50 20 BBGD Cc1cccc(C(=O)NNS(C)(=O)=O)n1 794600130 ZSCZVLXLIUNBOQ-UHFFFAOYSA-N 229.261 -0.416 50 20 BBGD CN(NC(=O)C[C@@H]1CCCC[C@H]1O)C(N)=O 798301530 DVHXAWZPDMCYJQ-JGVFFNPUSA-N 229.280 -0.031 50 20 BBGD C[C@H](O)CN(C)NC(=O)[C@@H]1CCOC1 822557207 KELRYPOYBFUBCE-JGVFFNPUSA-N 202.254 -0.633 50 20 BBGD COC[C@@H](OC)C(=O)NNC(=O)NC(C)C 824404784 WLPNTODNFMTQDH-SSDOTTSWSA-N 233.268 -0.613 50 20 BBGD COCCCOCCC(=O)NNC(C)=O 854154914 BGQHJFRDJBZLOY-UHFFFAOYSA-N 218.253 -0.403 50 20 BBGD C[C@H](N)CCNC(=O)NNc1ncccn1 857114608 XXFQHPUPWHHZRP-ZETCQYMHSA-N 224.268 -0.160 50 20 BBGD CC(C)[C@@H](O)C(=O)NNc1ccncn1 857521187 BJQHYJYODAHGSD-MRVPVSSYSA-N 210.237 -0.063 50 20 BBGD Cc1cc(=NNC(=O)[C@H]2CCC(=O)NC2)cc[nH]1 862510473 IGVBEYLMFAQAHH-VIFPVBQESA-N 248.286 -0.219 50 20 BBGD C#C[C@H](CC)NC(=O)c1ccc(B(O)O)cc1 863880154 PMPUSAWQBIIIGZ-LLVKDONJSA-N 231.060 -0.492 50 20 BBGD COC/C=C/C(=O)NNC(=O)N1CCOCC1 865046308 IUFILLGRZRIIPY-NSCUHMNNSA-N 243.263 -0.738 50 20 BBGD CC(C)(C)NC(=S)NNC(=O)CO 899995904 BHPHXBZVBWBPDU-UHFFFAOYSA-N 205.283 -0.728 50 20 BBGD Cc1ocnc1C(=O)NN(C)C[C@@H](C)O 910167523 HCOHFHVDTLSPPV-ZCFIWIBFSA-N 213.237 -0.060 50 20 BBGD COc1cc(O)ccc1C=NNC(=O)C(N)=O 1115821937 WTPQIFHCRMAPIJ-UHFFFAOYSA-N 237.215 -0.664 50 20 BBGD NNC(=O)C1CCN(c2cnccn2)CC1 1118191966 NMPUVYARAYJMLC-UHFFFAOYSA-N 221.264 -0.317 50 20 BBGD O=C(c1ccncc1)N1CC[C@@H](B(O)O)C1 1118916795 VVYVUMDFKCTLBC-SECBINFHSA-N 220.037 -0.230 50 20 BBGD CC(C)(C(N)=O)C(=O)NNc1cccnn1 1339157951 DDQKFBHKVSBHSQ-UHFFFAOYSA-N 223.236 -0.569 50 20 BBGD CCc1ocnc1C(=O)NN(C)C(N)=O 1341910263 QSUWJQLOEKPLDQ-UHFFFAOYSA-N 212.209 -0.108 50 20 BBGD CO[C@@H](C(=O)O)C(=O)NNc1ncccn1 1574104950 MCJZZALIAVDBNH-RXMQYKEDSA-N 226.192 -0.981 50 20 BBGD O=C(NNC(=O)[C@@H]1[C@H]2CCNC[C@H]21)c1cn[nH]c1 1580735883 GPDINPFYPHOZKF-DJLDLDEBSA-N 249.274 -0.974 50 20 BBGD CNC(=O)NNC(=O)c1csc(C(=O)O)n1 1598650582 LNYITGRYGHZJHE-UHFFFAOYSA-N 244.232 -0.585 50 20 BBGD NC(=O)C(=O)NN=C1CCC[C@H](C(=O)O)C1 1601137123 JWWDQKMAAPHFRL-YFKPBYRVSA-N 227.220 -0.781 50 20 BBGD CN(N=C1CCN(CCC(=O)O)CC1)C(N)=O 1606179295 MCZITSHCSAAYBN-UHFFFAOYSA-N 242.279 -0.077 50 20 BBGD N#Cc1ccc(C=NNC(=O)C(N)=O)cc1 254578349 ZDSOEGJXRJYUKC-UHFFFAOYSA-N 216.200 -0.506 50 20 BBGD CC(C)(O)C(=O)NNC(=O)c1ccccn1 274993750 LBSXBQVIDXVUII-UHFFFAOYSA-N 223.232 -0.387 50 20 BBGD COc1c(F)ccc(F)c1C(=O)NCB(O)O 585057736 YKZRRLHZEAFRBY-UHFFFAOYSA-N 244.990 -0.285 50 20 BBGD CNC(=O)NNC(=O)CCSCC(=O)OC 730773639 KCPLWXYKGBZEJT-UHFFFAOYSA-N 249.292 -0.757 50 20 BBGD CCNC(=O)CNC(=O)NNc1cccnn1 737030290 NRARCYDYBGQLEJ-UHFFFAOYSA-N 238.251 -0.761 50 20 BBGD CN(NC(=O)CN(C)[C@H]1CCSC1)C(N)=O 778412978 ZIRCJYDQAUPOMT-ZETCQYMHSA-N 246.336 -0.535 50 20 BBGD CNC(=O)NC(=O)CN1CC=C(C#N)CC1 779589363 GTFVOUMLLQMKSF-UHFFFAOYSA-N 222.248 -0.402 50 20 BBGD O=C(O)CCNC(=O)NNC(=O)C1CCC1 819490042 KWPSHMGJXOVOTN-UHFFFAOYSA-N 229.236 -0.408 50 20 BBGD C[C@H](CO)N(C)NC(=O)CN1CCSC1=O 823983251 OIQLGWAOWGTIFD-SSDOTTSWSA-N 247.320 -0.501 50 20 BBGD CCCNC(=O)NNC(=O)[C@@H]1CC[C@@H]1C(N)=O 847392996 CBNASKPFSNEBRF-NKWVEPMBSA-N 242.279 -0.762 50 20 BBGD CCO[C@H]1C[C@H]1C(=O)NNC(=O)c1cc[nH]n1 855359065 DQUWSTGUPUPEMU-SVRRBLITSA-N 238.247 -0.404 50 20 BBGD C#CCN(CC)C(=O)c1cccc(B(O)O)c1 863871675 XPVIOQHIHJTYBB-UHFFFAOYSA-N 231.060 -0.538 50 20 BBGD CC[C@@H](NC(C)=O)C(=O)NNc1ncccn1 864768435 GUERHBCWXLQXAB-MRVPVSSYSA-N 237.263 -0.166 50 20 BBGD O=C(CN1CCCC1)NNC(=O)c1ccc[nH]1 873833900 DKPYZGAALYWJAA-UHFFFAOYSA-N 236.275 -0.129 50 20 BBGD C[C@@H](O)CN(C)NC(=O)C[C@@H]1CCCC(=O)N1 910146457 DRGJJHGMZLQECM-BDAKNGLRSA-N 243.307 -0.611 50 20 BBGD CN(C)CCNC(=S)NNC(=O)NC1CC1 920759049 FCYTWJFDDKXZKL-UHFFFAOYSA-N 245.352 -0.611 50 20 BBGD COC(=O)N(C)NC(=O)NC[C@H]1COCO1 923840902 MWAIGWVGEWPLSD-LURJTMIESA-N 233.224 -0.728 50 20 BBGD N#CC1=CCN(C(=O)CCn2cnnn2)CC1 1119563893 NLRXDGAXZQSBEN-UHFFFAOYSA-N 232.247 -0.255 50 20 BBGD C=C[C@@](C)(O)C(=O)NNC(=S)NC(C)C 1261661380 ORQACQDGNJSFJR-SECBINFHSA-N 231.321 -0.173 50 20 BBGD CN1CCN(C)[C@H](CNC=C(C#N)C#N)C1 1318669113 BPVYPUDTGGQGOD-LLVKDONJSA-N 219.292 -0.247 50 20 BBGD COC(=O)C(=O)NN=Cc1cccc(O)c1O 1319044236 FQUJWGBHSVZWDM-UHFFFAOYSA-N 238.199 -0.279 50 20 BBGD C=C[C@H](COC)NC(=O)c1ccc(B(O)O)cc1 1330226629 WALWLHVFSXKULZ-LLVKDONJSA-N 249.075 -0.703 50 20 BBGD C[C@@H](CO)N(C)NC(=O)C1(CO)CCOCC1 1332365557 GRPKBMIIODWJHD-VIFPVBQESA-N 246.307 -0.881 50 20 BBGD NNC(=O)[C@@H]1CS(=O)(=O)C[C@@H]1C(F)(F)F 1333336431 NBHAUVPZGKQONT-DMTCNVIQSA-N 246.210 -0.801 50 20 BBGD C[C@H](C(=O)NNC(=O)N(C)C)[C@@H]1CCC(=O)N1 1351362234 VUJXSJORCKQTFJ-BQBZGAKWSA-N 242.279 -0.797 50 20 BBGD CCOC(=O)/C(C#N)=C\NC[C@H](F)C(=O)O 1596509256 FILXANTXLIBLSG-NGAMADIESA-N 230.195 -0.031 50 20 BBGD N#CCCCCNC(=O)NNC(=O)C(=O)O 1610621234 BMPWOHCYAWYDMO-UHFFFAOYSA-N 228.208 -0.905 50 20 BBGD Cc1occc1C(=O)NNC(=O)CN(C)C 171178506 PQBBKBPQXPYLMH-UHFFFAOYSA-N 225.248 -0.089 50 20 BBGD OB(O)c1ccc(CNCCc2ccoc2)o1 585047089 GMQUFXFIWNMNCC-UHFFFAOYSA-N 235.048 -0.115 50 20 BBGD CNC(=O)NNC(=O)[C@H]1CCCOC1 727733043 ZDMNCKGOQUXDRN-LURJTMIESA-N 201.226 -0.627 50 20 BBGD COCCCNC(=O)NNC(=O)C1=COCC1 734126575 ZRLVVEVVSBEUEM-UHFFFAOYSA-N 243.263 -0.343 50 20 BBGD CNC(=O)NNC(=O)[C@H]1CO[C@H](C)C1 784143956 GFUOVYIWTXHUPH-PHDIDXHHSA-N 201.226 -0.628 50 20 BBGD COC1(CC(=O)NN(C)C(N)=O)CCC1 790836099 JGCDZAKCIYBRAH-UHFFFAOYSA-N 215.253 -0.013 50 20 BBGD C#CC(C)(C)N(C)CC(=O)NNC(=O)C1CC1 794574622 LHMFIOMRWXQCLD-UHFFFAOYSA-N 237.303 -0.113 50 20 BBGD C[C@H](CO)N(C)NC(=O)[C@H]1CCOC1 823384123 CHGGFCAOZFCTRR-SFYZADRCSA-N 202.254 -0.633 50 20 BBGD Cc1c(CC(=O)NN(C)[C@@H](C)CO)cnn1C 823923022 OSJMCXHRKCEILG-QMMMGPOBSA-N 240.307 -0.385 50 20 BBGD C[C@H](CO)N(C)NC(=O)[C@@H]1CCCN1C1CC1 823928303 MNOKUYLTTDOXRT-KOLCDFICSA-N 241.335 -0.043 50 20 BBGD C=CCNC(=S)NNC(=O)[C@@H](C)CC(=O)O 825692365 ROAXBWDETOXWQQ-LURJTMIESA-N 245.304 -0.222 50 20 BBGD C[C@@H](CC(=O)O)C(=O)NNC(=O)C1CC1 827303663 HLLTUXHZKBIHLE-YFKPBYRVSA-N 214.221 -0.345 50 20 BBGD CC(CCCO)=NNC(=O)[C@H]1CCC(=O)N1 863150130 NKXWWTILOOOWPI-MRVPVSSYSA-N 227.264 -0.470 50 20 BBGD CC(C)C(=O)NNC(=O)[C@]1(C)CCNC1=O 873797223 NYNGQJWBNHKKGK-SNVBAGLBSA-N 227.264 -0.684 50 20 BBGD C=CC(=O)N(CC)CC(=O)NNc1ncccn1 900111738 GUVZRZDPARPTOF-UHFFFAOYSA-N 249.274 -0.046 50 20 BBGD COC1CC(C(=O)NN(C)C[C@H](C)O)C1 910138575 CAZVWPPQMILGFA-UEJVZZJDSA-N 216.281 -0.245 50 20 BBGD C[C@@H](O)CN(C)NC(=O)C[C@](C)(O)C1CC1 910160911 PZLKUDRSZNZFKJ-KCJUWKMLSA-N 230.308 -0.119 50 20 BBGD Cc1cc(OCC(=O)NN(C)C[C@H](C)O)no1 910180016 PYOKXUASNLNSGG-ZETCQYMHSA-N 243.263 -0.294 50 20 BBGD CCO[C@H]1C[C@H]1C(=O)NNC(=O)C1CC1 916093405 QGUGCSCQWLAKMT-SFYZADRCSA-N 212.249 -0.031 50 20 BBGD COCCOCCC(=O)NNC(=O)C(C)C 920421872 JMRRMIFNJIJIAG-UHFFFAOYSA-N 232.280 -0.157 50 20 BBGD CCN(CCO)NC(=O)c1cccc(O)n1 1119048014 QZYKKRQTCGOUPA-UHFFFAOYSA-N 225.248 -0.254 50 20 BBGD CCOC(=O)NNC(=O)CCCCNC(N)=O 1317716608 ZUPCEYNQOMGTKW-UHFFFAOYSA-N 246.267 -0.398 50 20 BBGD Cc1cc(C)c(C=NNC(=O)C(N)=O)[nH]1 1319122174 ZTEBEDVOZDJMLR-UHFFFAOYSA-N 208.221 -0.433 50 20 BBGD CCNC(=O)NNC(=O)c1[nH]nnc1C 1320973968 MDQFRBYTXZXEBR-UHFFFAOYSA-N 212.213 -0.923 50 20 BBGD Cn1ccnc(NNC(=O)COC(F)F)c1=O 1322952209 MHWNKIZEVLCXSD-UHFFFAOYSA-N 248.189 -0.537 50 20 BBGD CN(NC(=O)CCCc1nn[nH]n1)C1CC1 1338628730 KYVDBXRONAPMCO-UHFFFAOYSA-N 224.268 -0.352 50 20 BBGD O=C(NNC(=O)[C@H]1C[C@H]1F)C(=O)N1CCCC1 1345832073 GGQOGWUFWXJENN-NKWVEPMBSA-N 243.238 -0.886 50 20 BBGD O=C(CN1C(=O)CCC1=O)NNc1ccccn1 1346286555 JLALGPKFZWQHGS-UHFFFAOYSA-N 248.242 -0.326 50 20 BBGD C=CCNC(=S)NNC(=O)[C@@H](C)C(=O)O 1588465699 YZURUMUBHWHQFM-RXMQYKEDSA-N 231.277 -0.612 50 20 BBGD O=C(NNc1nc[nH]n1)[C@H]1CC[C@@H](C(=O)O)C1 1594781720 TUEJLALXPGPKCE-NTSWFWBYSA-N 239.235 -0.251 50 20 BBGD COC(=O)NNC(=O)C[C@H](C)CC(=O)O 1598884452 ZQYJJWFBWWZMAS-YFKPBYRVSA-N 218.209 -0.126 50 20 BBGD NNC(=O)CN1C(=O)c2ccccc2C1=O 3071069 RDWJZUPIMOIZMH-UHFFFAOYSA-N 219.200 -0.728 50 20 BBGD NC(=S)NNC(=O)NC[C@H]1CCCO1 42868036 NNZGZHRLWJICIM-RXMQYKEDSA-N 218.282 -0.787 50 20 BBGD COC(=O)[C@H]1C[C@H]1C(=O)NNc1cnccn1 114882424 FXPRBAXDIAZDMN-RQJHMYQMSA-N 236.231 -0.271 50 20 BBGD COc1ccc(C(=O)NCB(O)O)c(F)c1 585057658 INYMWJCUCZRLCJ-UHFFFAOYSA-N 227.000 -0.424 50 20 BBGD O=C(NCB(O)O)c1ccnn1CC1CCC1 585066113 JTRFIRVRHINWEI-UHFFFAOYSA-N 237.068 -0.575 50 20 BBGD O=C(c1c[nH]nc1C1CC1)N1CC[C@@H](B(O)O)C1 585078449 DQWIXRHFNFXGLC-MRVPVSSYSA-N 249.079 -0.024 50 20 BBGD CN1CCC[C@@H]1C(=O)NNC(=O)NCC1CC1 733869258 IDRPNCMBGFIRLZ-SECBINFHSA-N 240.307 -0.179 50 20 BBGD O=C(CO)NNC(=O)Nc1ccccn1 757848573 PANBBJXXXCRSOG-UHFFFAOYSA-N 210.193 -0.773 50 20 BBGD Cc1cc(C(=O)NNC(=O)c2cncnc2)n[nH]1 760824931 OFJAXJJBKLQBAR-UHFFFAOYSA-N 246.230 -0.417 50 20 BBGD C[C@H](O)C(=O)NNc1ncc(F)cn1 787170343 XBAYNLZXMIXFOT-BYPYZUCNSA-N 200.173 -0.560 50 20 BBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@@H]1CCOC1 792625850 HIIGYXMADLIBFN-DJLDLDEBSA-N 242.275 -0.405 50 20 BBGD CNC(=O)NNC(=O)[C@@H](O)Cc1ccccc1 793174352 DCMKDBPUCZOJRT-VIFPVBQESA-N 237.259 -0.450 50 20 BBGD COC(=O)N(C)NC(=O)[C@H]1CCC(=O)N1C 804123582 CSVJRRVUAUCPKC-ZCFIWIBFSA-N 229.236 -0.663 50 20 BBGD Cn1cncc1C(=O)NN=c1cc[nH]cc1 809755184 HNNLMIPXQINDKR-UHFFFAOYSA-N 217.232 -0.006 50 20 BBGD C=C(CN(C)C)C(=O)NN(C)[C@@H](C)CO 823927577 AUKDXZSZWURUNW-VIFPVBQESA-N 215.297 -0.552 50 20 BBGD CCNC(=O)N(C)NC(=O)c1cc(O)n(C)n1 831858029 KWBPXJQSDYXXMT-UHFFFAOYSA-N 241.251 -0.568 50 20 BBGD CCn1cc(C=NNC(=O)NCC(=O)O)cn1 833681772 FKYQKWLCLBKJNX-UHFFFAOYSA-N 239.235 -0.379 50 20 BBGD COCCN(C)NC(=O)C1(C)COC1 837625924 WYKIWFABMAMQNO-UHFFFAOYSA-N 202.254 -0.368 50 20 BBGD C[C@@H]1OCC[C@H]1C(=O)NNS(=O)(=O)C1CC1 842593768 XMAQJCFQOPQZDY-POYBYMJQSA-N 248.304 -0.476 50 20 BBGD Cn1cccc1C(=O)NNC(=O)[C@@H](O)C1CC1 854287945 QJYOPLYDWVZVDT-VIFPVBQESA-N 237.259 -0.443 50 20 BBGD CC(=O)NNC(=O)CCC1(O)CCC1 864427075 HTTQNEJQEGIXEZ-UHFFFAOYSA-N 200.238 -0.151 50 20 BBGD CC(=O)NNC(=O)c1cnn(CCN(C)C)c1 864427754 VKXJNIGEBCWBAH-UHFFFAOYSA-N 239.279 -0.774 50 20 BBGD CC(=O)NNC(=O)c1ccc(N(C)C)nc1 914881971 OUZIXAYZWUDPOX-UHFFFAOYSA-N 222.248 -0.072 50 20 BBGD NC(=O)C(=O)NN=C/C=C\c1ccco1 920358580 GUPHDNPHXRWXDL-MGBCMINVSA-N 207.189 -0.120 50 20 BBGD O=C(NNC(=O)c1cnccn1)c1ccnnc1 1261389429 KNGHHQQISOSFDT-UHFFFAOYSA-N 244.214 -0.659 50 20 BBGD O=C(NNC(=O)[C@@H]1C[C@H]1F)c1ncon1 1263924573 ZXIUMXWVZZPJAN-QWWZWVQMSA-N 214.156 -0.811 50 20 BBGD O=C(CO[C@H]1CCOC1)NNC(=O)NC1CC1 1319368508 PUZAPWLGFYTHEK-QMMMGPOBSA-N 243.263 -0.715 50 20 BBGD CN(NC(=O)C[C@@H]1CCOC1)C(N)=O 1337365598 LBLBEGPQJRAZFD-LURJTMIESA-N 201.226 -0.545 50 20 BBGD CNC(=S)N(C)NC(=O)[C@H]1C[C@@H]1F 1347685154 NFFOMKIQAADDSV-WHFBIAKZSA-N 205.258 -0.188 50 20 BBGD C[C@H](CO)N(C)NC(=O)[C@@H]1CC[C@@H]1C(=O)O 1589072769 CVBUPSBETFYSNP-PRJMDXOYSA-N 230.264 -0.559 50 20 BBGD C[C@H]1[C@@H](CNCC(=O)NCC(=O)O)[C@@H]1Cl 1594190520 IOPFDKAZRXFVNQ-CCGCGBOQSA-N 234.683 -0.350 50 20 BBGD CCNC(=O)NNC(=O)C1(C(=O)O)CC1 1605494690 GLXWLNTWZCGYEL-UHFFFAOYSA-N 215.209 -0.799 50 20 BBGD CCOC(=O)NNC(=O)CNC(=O)C(C)(C)C 47836423 FESOMUFEYXYXNC-UHFFFAOYSA-N 245.279 -0.074 50 20 BBGD CC(C)[C@@H](C)C(=O)NNC(=O)C(=O)NC1CC1 171958334 SHAHUCSUAOIVSE-SSDOTTSWSA-N 241.291 -0.296 50 20 BBGD CC[C@H](SC)C(=O)NNC(=O)CO 182744671 BSZHZNDYPLLDKY-YFKPBYRVSA-N 206.267 -0.732 50 20 BBGD C[C@H]1CC[C@H]1NCc1ccc(B(O)O)o1 585040847 QMLZMBHSYLZYMK-IONNQARKSA-N 209.054 -0.153 50 20 BBGD Cn1nc(C(C)(C)C)cc1C(=O)NCB(O)O 585055838 JUHODEFUPLPMQI-UHFFFAOYSA-N 239.084 -0.541 50 20 BBGD O=C(NCB(O)O)c1cccc2[nH]ncc12 585060745 JFTOPEZMLQMZPX-UHFFFAOYSA-N 219.009 -0.695 50 20 BBGD CC(C)=NNC(=O)[C@H](C)NS(C)(=O)=O 728434256 KYOPRVFNERGOID-LURJTMIESA-N 221.282 -0.564 50 20 BBGD CCOC(=O)NNC(=O)[C@H]1CCN(C)C1=O 771851505 AJLNNVDZLZVHTM-ZCFIWIBFSA-N 229.236 -0.758 50 20 BBGD O=C(CC1CC1)NNC(=O)[C@H]1CCOC1 792623942 YOBFHNOMYJWDKO-QMMMGPOBSA-N 212.249 -0.030 50 20 BBGD C[C@H](C(=O)NN(C)[C@H](C)CO)N(C)C 823907518 MMRAOAALAKFFAN-HTQZYQBOSA-N 203.286 -0.720 50 20 BBGD CC(C)(CO)C(=O)NNc1cccnn1 847714764 AOEFNOBNZNBKAW-UHFFFAOYSA-N 210.237 -0.062 50 20 BBGD C=C[C@H](CO)NCC(=O)NNC(=O)C(C)(C)C 852714290 HMYSZYRHTUNBEM-MRVPVSSYSA-N 243.307 -0.684 50 20 BBGD O=C(C#CC1CC1)NNC(=O)c1cc[nH]n1 855355332 XBXXSFYYBMHIKN-UHFFFAOYSA-N 218.216 -0.416 50 20 BBGD COC(OC)C(=O)NNC(=O)c1cccn1C 873836451 WRTPGMLCPRQMQR-UHFFFAOYSA-N 241.247 -0.595 50 20 BBGD COCCN(C)NC(=O)Nc1nnn(C)c1C 879910522 NPJLMIQVXPSSPA-UHFFFAOYSA-N 242.283 -0.262 50 20 BBGD CC(C)[C@@H]1C[C@H](C(=O)NNC(=O)CO)CCO1 897607043 XVWNPGHMONLAMH-BDAKNGLRSA-N 244.291 -0.423 50 20 BBGD C[C@@H]1CN(C)CC1=NNC(=O)c1ncon1 901290153 QJGNGBJVFRCRJC-ZCFIWIBFSA-N 223.236 -0.263 50 20 BBGD COC(=O)N(C)NC(=O)[C@H]1[C@H]2C(=O)CC[C@H]21 908113123 NBLVINGNMMWSOV-LPBLVHEISA-N 226.232 -0.059 50 20 BBGD CC(C)C(=O)NNC(=O)[C@H]1COCCO1 915052029 DQEGSIMCAYFJLY-SSDOTTSWSA-N 216.237 -0.795 50 20 BBGD CCCNC(=O)NN=C1CCS(=O)(=O)C1 920988694 SNNXVZRXPXNQFP-UHFFFAOYSA-N 233.293 -0.130 50 20 BBGD O=C(c1ccc[nH]1)N1CC[C@H](B(O)O)C1 1118916473 OHODJWNBNYQAPY-ZETCQYMHSA-N 208.026 -0.296 50 20 BBGD COC(=O)NNC(=O)C1(C#N)CCOCC1 1254946194 XJSKFDNURHAAHP-UHFFFAOYSA-N 227.220 -0.306 50 20 BBGD C[C@@H](O)C(=O)NNC(=O)NC1CCCC1 1255564740 PNICIFYEOWXXLN-ZCFIWIBFSA-N 215.253 -0.360 50 20 BBGD COCCn1cc(C(=O)NNC(=O)OC)cn1 1262012923 LVOSGSFBKKISJB-UHFFFAOYSA-N 242.235 -0.470 50 20 BBGD CN(NC(=O)c1cn(C2CC2)nn1)C(N)=O 1329012765 QLOYAWHRDPXTTH-UHFFFAOYSA-N 224.224 -0.732 50 20 BBGD COC(=O)C(=O)NN=C(C)c1cn(C)cn1 1330108885 LKADFPDUILTZRY-UHFFFAOYSA-N 224.220 -0.567 50 20 BBGD CCC(=O)N[C@H](C)C(=O)NNc1cnnn1C 1331394569 WTXHCVTWYIPUGA-ZCFIWIBFSA-N 240.267 -0.827 50 20 BBGD O=C(NNC(=O)C1CCC1)N[C@@H]1CNOC1 1338710597 HPMAIMWWPYRHND-SSDOTTSWSA-N 228.252 -0.980 50 20 BBGD COC(=O)N(C)NC(=O)c1cncnc1 1345596140 WALPDZTZMAHANJ-UHFFFAOYSA-N 210.193 -0.180 50 20 BBGD Cc1cccc2c1N=C(O)/C2=N\NC(=O)C(N)=O 15974611 BBMIWANETUSBAG-UHFFFAOYSA-N 246.226 -0.098 50 20 BBGD C[C@H]1CN(S(=O)(=O)CCl)C[C@H](CO)O1 299919448 WLJMIVPNYDUSLK-NKWVEPMBSA-N 243.712 -0.406 50 20 BBGD OB(O)c1ccc(CN[C@H]2C[C@@H]3C[C@@H]3C2)o1 585048318 NXXNBPBBGUETNV-AYMMMOKOSA-N 221.065 -0.153 50 20 BBGD CC(C)NC(=O)NNC(=O)[C@H]1CCCN1C 733870519 SAUMHKPYQKWOGT-MRVPVSSYSA-N 228.296 -0.181 50 20 BBGD C[C@@H](C(=O)NNC(=O)c1ccccn1)N(C)C 750606772 XHHVUZBQIAGNFE-QMMMGPOBSA-N 236.275 -0.207 50 20 BBGD CCNC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 770712231 XXXHXFSRRUEBMM-RNFRBKRXSA-N 215.253 -0.238 50 20 BBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)C1CC1 771890550 KIQHQMJNBFWWOH-LURJTMIESA-N 228.248 -0.115 50 20 BBGD CN(NC(=O)c1cc(N(C)C)ccn1)C(N)=O 782123372 HQSUTNMUHFSJSZ-UHFFFAOYSA-N 237.263 -0.197 50 20 BBGD CCN(CC)CC(=O)NN(C)CCOC 808075481 OVSGIQMWXJVGIH-UHFFFAOYSA-N 217.313 -0.062 50 20 BBGD CN(CC(=O)NN(C)C1CC1)C(=O)C1CC1 819647151 KSERQDKQRGMLNR-UHFFFAOYSA-N 225.292 -0.020 50 20 BBGD COC[C@@H](OC)C(=O)NNc1ncc(F)cn1 831351838 QWJKYEYOSARXGV-SSDOTTSWSA-N 244.226 -0.280 50 20 BBGD COCC(=O)NN=C1CCN(OC)CC1 834960871 DOHUGESKDAFTTK-UHFFFAOYSA-N 215.253 -0.238 50 20 BBGD COCCN(C)NC(=O)c1cc(O)n[nH]1 854413163 NVRIZKUNQCFTTN-UHFFFAOYSA-N 214.225 -0.662 50 20 BBGD COCCOCC(=O)NN=C(C)c1cc[nH]n1 872400744 PWAXWHCBRDWWIO-UHFFFAOYSA-N 240.263 -0.087 50 20 BBGD N#CCCCC(=O)NNC(=O)C(=O)NC1CC1 1117655965 CWMWLVLXSBIEPX-UHFFFAOYSA-N 238.247 -0.894 50 20 BBGD CCOC(=O)NNC(=O)c1cncn1C 1326697318 LDDNJXLOODWVFO-UHFFFAOYSA-N 212.209 -0.189 50 20 BBGD O=C(Cc1cscn1)N1CC[C@H](B(O)O)C1 1329291229 BIDFEWHKTMVUHA-ZETCQYMHSA-N 240.093 -0.239 50 20 BBGD CCN(CCO)NC(=O)[C@@H](C)[C@@H]1CCC(=O)N1 1348953388 DNTXQWMBYWYXEG-IUCAKERBSA-N 243.307 -0.754 50 20 BBGD C[C@@H](O)CN(C)NC(=O)CO[C@@H]1CCOC1 1354062247 YGGVKAWVEONNQJ-RKDXNWHRSA-N 232.280 -0.864 50 20 BBGD NC1(C(=O)NNC(=O)c2ccccn2)CC1 1574268529 DMXUJRJXSMMDFV-UHFFFAOYSA-N 220.232 -0.666 50 20 BBGD CN(C)[C@@H]1CCC[C@H](C(=O)NNC(=O)CN)C1 1578411856 YMWPQFXDBWDGRT-DTWKUNHWSA-N 242.323 -0.787 50 20 BBGD CC(C)[C@H](C(=O)O)C(=O)NNc1cnnn1C 1588808870 ZPPXQNXSDANPKG-ZETCQYMHSA-N 241.251 -0.385 50 20 BBGD CC(=O)NN[C@H](C(=O)O)c1cccnc1 1589150386 OWDKXRAGMCCJSS-QMMMGPOBSA-N 209.205 -0.152 50 20 BBGD COC(=O)N(C)NC(=O)[C@H](C(=O)O)C1CC1 1593856061 VNEWOKHXZFBWES-ZCFIWIBFSA-N 230.220 -0.173 50 20 BBGD CO[C@H](C(=O)O)C(=O)NNC(=O)CC1CC1 1593908850 MVZIMAFMMBRQBD-ZETCQYMHSA-N 230.220 -0.967 50 20 BBGD Cn1nncc1NNC(=O)CCC(=O)O 1594597740 CDZIOMRVDKWDNZ-UHFFFAOYSA-N 213.197 -0.877 50 20 BBGD CC[C@H](C(=O)O)C(=O)NNC(=O)C(C)C 1594756173 ZHNYUMDEEXEBCV-LURJTMIESA-N 216.237 -0.099 50 20 BBGD COC(=O)N(C)NC(=O)NC[C@H]1C[C@H]1C(=O)O 1598875786 LORVYWFJGJCTAP-PHDIDXHHSA-N 245.235 -0.381 50 20 BBGD O=C(O)c1cnc(N2CC[C@H](B(O)O)C2)nc1 1602524245 ITHXUQCHRJUGHK-ZETCQYMHSA-N 237.024 -0.772 50 20 BBGD Cc1n[nH]cc1C(=O)NNC(=O)[C@@H]1CCCO1 153474564 COPZDZQGTXGXSM-QMMMGPOBSA-N 238.247 -0.342 50 20 BBGD C[C@@H]1CC[C@@H](CC(=O)NNC(=O)CO)C1 182750132 RSHIRBSBIBVBRG-HTQZYQBOSA-N 214.265 -0.048 50 20 BBGD C=CCOCCNCc1ccccc1B(O)O 585049977 NUNGXAIVXJVYEQ-UHFFFAOYSA-N 235.092 -0.341 50 20 BBGD CCc1nnc(C)cc1C(=O)NNC(=O)CO 760426136 QOUWVPUNTVBMMA-UHFFFAOYSA-N 238.247 -0.899 50 20 BBGD CC(=NNC(=O)CO)c1nccnc1C 783522439 RJBYFBIIRXRABR-UHFFFAOYSA-N 208.221 -0.382 50 20 BBGD C[C@@H]1C[C@@H](C)[C@@H](C(=O)NNC(=O)CN(C)C)O1 800690416 ULNCCQLZUFHCJS-MRTMQBJTSA-N 243.307 -0.491 50 20 BBGD CSCC(C)(C)C(=O)NNC(=O)CO 800695531 QDNVFGJXEZXGGG-UHFFFAOYSA-N 220.294 -0.485 50 20 BBGD CC(=O)NNC(=O)c1cncc(-n2ccnn2)c1 801795938 CFIVNIQRNPREGI-UHFFFAOYSA-N 246.230 -0.557 50 20 BBGD CN1CC[C@@H](C(=O)NNC(=O)CC2CC2)C1=O 819136505 ZBVMFQLVONLQRG-QMMMGPOBSA-N 239.275 -0.588 50 20 BBGD C[C@H](CO)N(C)NC(=O)[C@]1(O)CCSC1 823939365 JUIOPXMNDZNSBZ-APPZFPTMSA-N 234.321 -0.802 50 20 BBGD C[C@H]1OCC[C@@H]1C(=O)NNC1=NCC(O)=C1 842557548 VZBMSVOSQVCCCN-SVRRBLITSA-N 225.248 -0.114 50 20 BBGD O=C(CO)NN=C1CCCn2nccc21 853329327 FMLDMBDLQJNACY-UHFFFAOYSA-N 208.221 -0.511 50 20 BBGD C=CC(=O)N(C)CC(=O)NN(C)C(=O)OC 861656138 AIXORLLPXSYZNI-UHFFFAOYSA-N 229.236 -0.640 50 20 BBGD CC[C@H](NC(C)=O)C(=O)NNc1ccncn1 868646410 REJHEFVHOPZLQA-QMMMGPOBSA-N 237.263 -0.166 50 20 BBGD CC1(C=NNC(=O)c2ncon2)COC1 901285569 IOGPCYYLMCNDPW-UHFFFAOYSA-N 210.193 -0.178 50 20 BBGD COc1ccc(C(=O)NN(C)C(N)=O)nn1 1116503321 VTUOPAVNELNDSV-UHFFFAOYSA-N 225.208 -0.860 50 20 BBGD O=C(c1ccncc1F)N1CC[C@@H](B(O)O)C1 1329671000 GZBQADCZEWQKSR-SSDOTTSWSA-N 238.027 -0.090 50 20 BBGD CCc1cc(C(=O)NN(C)[C@@H](C)CO)nn1C 1329861374 HZMXQBRQQXVULR-QMMMGPOBSA-N 240.307 -0.060 50 20 BBGD O=C1CC[C@H](C(=O)NNC(=O)c2ccco2)N1 1330572405 AOLWEJBSRXGEKF-ZCFIWIBFSA-N 237.215 -0.681 50 20 BBGD C/C(C#N)=C/Cn1cncc(-c2nn[nH]n2)c1=O 1573557926 BJBOIMFRAKOVIY-UQCOIBPSSA-N 243.230 -0.107 50 20 BBGD C/C(C#N)=C\Cn1cc(-c2nn[nH]n2)nn1 1573558294 IVWNGSNQEDYWMZ-QHHAFSJGSA-N 216.208 -0.072 50 20 BBGD CCNC(=O)NNC(=O)[C@H]1CC[C@@H](C(=O)O)C1 1596471076 RZIJIEQPEOHJJU-NKWVEPMBSA-N 243.263 -0.162 50 20 BBGD C=CCCCNC(=O)NNC(=O)C(=O)O 1602875034 ROLFURYCHPXICH-UHFFFAOYSA-N 215.209 -0.632 50 20 BBGD CC(C)[C@]1(C)C[C@H]1NC(=O)NNC(=O)C(=O)O 1603746407 UYCFEYMFUYQLOW-LDWIPMOCSA-N 243.263 -0.164 50 20 BBGD CN(NC(=O)[C@@]1(C(=O)O)CC1(C)C)C(N)=O 1604195125 LHBMDWWQKPRHAV-SECBINFHSA-N 229.236 -0.471 50 20 BBGD COc1ccnc(NNC(=O)c2cnn(C)c2)n1 46364207 CXGIVJZKPXQANK-UHFFFAOYSA-N 248.246 -0.024 50 20 BBGD CS[C@H](C)C(=O)NNC(=O)c1cnn(C)c1 117679993 QXPOXCVYXADDIL-ZCFIWIBFSA-N 242.304 -0.067 50 20 BBGD O=C(Nc1cccc(B(O)O)c1)[C@@H]1CCCO1 404981336 OTARTGDNMQBITL-JTQLQIEISA-N 235.048 -0.516 50 20 BBGD C[C@H]1C[C@@H]1CNC(=O)c1cccc(B(O)O)c1 584929773 PRWATIUESKMWFL-WCBMZHEXSA-N 233.076 -0.248 50 20 BBGD N#C[C@@H]1CCC[C@@H]1NCc1ccc(B(O)O)o1 585034647 KVQPDGHIOZXWJV-WPRPVWTQSA-N 234.064 -0.259 50 20 BBGD CCc1ccc(S(=O)(=O)NCB(O)O)cc1 585054663 PGOQZNHFGXPGSK-UHFFFAOYSA-N 243.093 -0.461 50 20 BBGD C[C@@]1(CO)C[C@H](O)CN1S(=O)(=O)CCl 698129879 LFFNZRDJPGWABF-BQBZGAKWSA-N 243.712 -0.670 50 20 BBGD O=C(CN1CCCC1)NNC(=O)C1CC1 733194155 YCXRNIWERAMILW-UHFFFAOYSA-N 211.265 -0.360 50 20 BBGD CCO[C@H]1CC(=NNC(=O)C(N)=O)C12CCC2 741160160 MFYLWNFNRPRDOA-QMMMGPOBSA-N 239.275 -0.077 50 20 BBGD COCCNC(=S)NNC(=O)N(C)C 745736169 WDVGBTDJNGKHFY-UHFFFAOYSA-N 220.298 -0.717 50 20 BBGD CN1CCC[C@H]1C(=O)NNC(=O)C1CC1 748546437 JYAJGEXFZSOAQS-QMMMGPOBSA-N 211.265 -0.362 50 20 BBGD O=C(CO)NN=Cc1cccc2nccn12 776780182 PMCUKJZYWMLVEH-UHFFFAOYSA-N 218.216 -0.223 50 20 BBGD C=CCNC(=S)NNC(=O)c1nonc1C 798304820 BOVPIMBIAJUHDI-UHFFFAOYSA-N 241.276 -0.327 50 20 BBGD COc1cccc(NNC(=O)c2cnn(C)n2)n1 803081276 GHLJTUCILHCGCI-UHFFFAOYSA-N 248.246 -0.024 50 20 BBGD C#CCOCCC(=O)NN(C)C(=O)OC 804124510 ZELJFRFQXRKTIY-UHFFFAOYSA-N 214.221 -0.244 50 20 BBGD CCN(CC(=O)NNC(=O)C1CC1)[C@@H](C)CO 815184650 GISZZVWSNZMJBY-QMMMGPOBSA-N 243.307 -0.754 50 20 BBGD CCN(CCO)NC(=O)[C@@H]1C[C@@H]1C(=O)OC 823856251 NXLXISXGKQHWHB-SFYZADRCSA-N 230.264 -0.859 50 20 BBGD C[C@H](CO)N(C)NC(=O)Cc1cncn1C 823934095 BOFZXNUJRNNZCH-MRVPVSSYSA-N 226.280 -0.694 50 20 BBGD COCn1ccc(C(=O)NNC(=O)C2CC2)n1 854180023 GVROYPFEMCPFCD-UHFFFAOYSA-N 238.247 -0.342 50 20 BBGD CCO/C=C(\C#N)C(=O)N1C[C@H]2C[C@H]1C(=O)O2 861869548 MJBIQGVCOBJZNP-BXELRRQVSA-N 236.227 -0.043 50 20 BBGD C[C@@H](NNC(=O)Cn1cnnn1)C(F)(F)F 862305958 ZRAWSQHALXVVNG-SCSAIBSYSA-N 238.173 -0.755 50 20 BBGD CCN(CCC(=O)NC)S(=O)(=O)CCl 907638244 XIWSFTLQBFMFPY-UHFFFAOYSA-N 242.728 -0.030 50 20 BBGD C[C@@H](O)CN(C)NC(=O)[C@H](O)C1CCC1 910150916 WQARSMQANDBZNI-VXNVDRBHSA-N 216.281 -0.509 50 20 BBGD Cc1nc(C(=O)NN(C)C[C@H](C)O)co1 910158412 FFRGYXZCQGKIJY-LURJTMIESA-N 213.237 -0.060 50 20 BBGD O=C(NNc1ncnc2[nH]cnc12)c1cc[nH]n1 1116118367 GUFNURXQLZOGID-UHFFFAOYSA-N 244.218 -0.167 50 20 BBGD Cn1c(C(=O)NN=c2cc[nH]cc2)cccc1=O 1116511133 LBOBIJKWSKRSAA-UHFFFAOYSA-N 244.254 -0.041 50 20 BBGD Cc1cc(C(=O)NNc2nc[nH]n2)no1 1117721900 BIRHTLVDTJLJLJ-UHFFFAOYSA-N 208.181 -0.142 50 20 BBGD O=C(Cc1cnc[nH]1)NNC(=O)NC1CC1 1119594143 LWXQCTJXMDTNKS-UHFFFAOYSA-N 223.236 -0.555 50 20 BBGD COC(=O)C(=O)NN=C1CN(C2CC2)C[C@H]1C 1252815927 OKWABDIZMGRYLC-SSDOTTSWSA-N 239.275 -0.254 50 20 BBGD CC(=O)NNC(=O)[C@H]1CCC[C@H](C(N)=O)C1 1326145913 NXPARMCPUHXUCX-YUMQZZPRSA-N 227.264 -0.555 50 20 BBGD O=CN1CCC[C@H]1C(=O)NNC(=O)C1CC1 1328070514 AIKIVSZIHHFDCT-QMMMGPOBSA-N 225.248 -0.835 50 20 BBGD C[C@H](O)CN(C)NC(=O)c1csc(O)n1 1332174155 ARJHIESIARUXEX-YFKPBYRVSA-N 231.277 -0.194 50 20 BBGD COCCCNC(=O)NNC(=O)[C@@H]1C[C@@H]1F 1347395523 PWHYCQBDOAFUGG-RQJHMYQMSA-N 233.243 -0.289 50 20 BBGD N[C@@H]1C[C@@H]1C(=O)NNC(=O)OCC(F)(F)F 1580398807 YQKJOOGYAPYTMU-IUYQGCFVSA-N 241.169 -0.347 50 20 BBGD C[C@H](CC(=O)O)CC(=O)NN(C)[C@@H](C)CO 1592391313 HKRGZMPXZIDXBF-YUMQZZPRSA-N 232.280 -0.169 50 20 BBGD Cc1cc(C(=O)NNC(=O)[C@@H](C)C(=O)O)n[nH]1 1594280960 BMFXHHBXVTZCGF-RXMQYKEDSA-N 240.219 -0.800 50 20 BBGD O=C(CO)NNc1ccc(C(=O)O)c(F)c1 1608343369 VGOQLCLJVRVMHQ-UHFFFAOYSA-N 228.179 -0.041 50 20 BBGD CNC(=O)NNC(=O)c1cnn2cccnc12 48949946 LKIRZDCECJHXSQ-UHFFFAOYSA-N 234.219 -0.697 50 20 BBGD COC(=O)NNC(=O)[C@@H]1CCCCO1 158863984 SZEKJZSVDRDEDZ-LURJTMIESA-N 202.210 -0.057 50 20 BBGD O=C(NNc1ncccn1)[C@@H]1CCCN1 238104286 ORXIKEKZWZMWEH-ZETCQYMHSA-N 207.237 -0.328 50 20 BBGD CC(=NNC(=O)CCO)c1csc(N)n1 308868242 XTJSRICWPZMFMK-UHFFFAOYSA-N 228.277 -0.052 50 20 BBGD COCC(=O)NNc1nncc(N)c1Cl 379799200 LMHSJMOVTYVAGN-UHFFFAOYSA-N 231.643 -0.198 50 20 BBGD COC(=O)NCCC(=O)NNC(=O)NC(C)C 491266273 RVMCEWWOCCTNDD-UHFFFAOYSA-N 246.267 -0.529 50 20 BBGD CN1CC[C@](O)(CNS(=O)(=O)CCl)C1 702549550 JEINYLTXXPIFPQ-ZETCQYMHSA-N 242.728 -0.831 50 20 BBGD COC(=O)CC(C)(C)CC(=O)NNC(=O)CO 753452237 MJSKCJIMVXXFBR-UHFFFAOYSA-N 246.263 -0.895 50 20 BBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)C(C)(C)O 768261019 JYWOJQPNSPEOTG-RQJHMYQMSA-N 230.264 -0.670 50 20 BBGD CCNC(=O)N(C)NC(=O)[C@]1(O)CCSC1 768409709 KIOSAHJQRPHJBE-VIFPVBQESA-N 247.320 -0.453 50 20 BBGD C[C@H]1C[C@H]1C(=O)NNC(=O)N1CCN(C)CC1 788169635 SJBYZWDLMYKDKZ-DTWKUNHWSA-N 240.307 -0.369 50 20 BBGD CCNC(=O)N(C)NC(=O)[C@@H](C)[C@@H](C)N 831945432 QHIWZCKQQXIJLN-NKWVEPMBSA-N 216.285 -0.338 50 20 BBGD C[C@@H]1O[C@H](C)CC1=NNC(=O)CS(C)(=O)=O 863185965 JHLIHFIRIDFSON-RQJHMYQMSA-N 248.304 -0.300 50 20 BBGD NC(=O)C(=O)NN=C1CCCc2ncccc21 872326581 OYYDPSOUHJPYLQ-UHFFFAOYSA-N 232.243 -0.277 50 20 BBGD CCCNC(=O)NNC(=O)CN1CCCC1=O 916645884 MLYHUUNKIGTRJU-UHFFFAOYSA-N 242.279 -0.651 50 20 BBGD COC(=O)C(=O)NN=Cc1ccc(O)c(O)c1 1318903434 WWOWCHBMXQIXTC-UHFFFAOYSA-N 238.199 -0.279 50 20 BBGD COC(=O)C(=O)NN=C1CCN2CCC[C@H]12 1319638969 NGKINHKODPULOI-MRVPVSSYSA-N 225.248 -0.500 50 20 BBGD CN(NC(=O)c1ccc2nncn2c1)C(N)=O 1319992689 ZBBXZUCQZPLOTA-UHFFFAOYSA-N 234.219 -0.615 50 20 BBGD Cc1nccnc1C(=O)N1CC[C@H](B(O)O)C1 1331826301 JKULHAWVWWYMCX-QMMMGPOBSA-N 235.052 -0.526 50 20 BBGD C[C@H](O)CN(C)NC(=O)[C@@H](C)Cc1cnc[nH]1 1334998375 QQAHLYYJCVMHBF-IUCAKERBSA-N 240.307 -0.068 50 20 BBGD C[C@H](F)CCNC(=O)NNC(=O)C(=O)O 1604251892 CKDSUWVJJQBWRL-BYPYZUCNSA-N 221.188 -0.851 50 20 BBGD CCCNC(=O)NNC(=S)NCCOC 66012317 XNWOJKDLAGWXHZ-UHFFFAOYSA-N 234.325 -0.279 50 20 BBGD COCC(=O)NNC(=O)c1cccc(C)n1 279794081 KUBZENDDZVXIQK-UHFFFAOYSA-N 223.232 -0.203 50 20 BBGD C#CCNC(=O)NNC(=O)c1ccc[nH]1 490575729 UTMPCYMOLXJLPZ-UHFFFAOYSA-N 206.205 -0.408 50 20 BBGD COC(=O)NNC(=O)COCc1ccnn1C 495836448 JMWMSCZDGYYKQO-UHFFFAOYSA-N 242.235 -0.676 50 20 BBGD OB(O)c1ccc(CNC2CCOCC2)cc1 585017261 RLNKGYBPNHTNCP-UHFFFAOYSA-N 235.092 -0.365 50 20 BBGD COc1ccc(OCC(=O)NCB(O)O)cc1 585057750 ZDBYITVLWLFKFK-UHFFFAOYSA-N 239.036 -0.798 50 20 BBGD O=C(NCB(O)O)[C@H]1Cc2ccccc2S1 585060807 KEXJTZWQKBVYRL-SECBINFHSA-N 237.089 -0.168 50 20 BBGD C=CCCC(=O)NNC(=O)C(=O)N1CCCC1 726534029 SXQMQHHQDMTDHC-UHFFFAOYSA-N 239.275 -0.278 50 20 BBGD N#Cc1ccc(NNC(=O)C2=NNC(=O)C2)cc1 749268301 YIYGXNJDZJFQLD-UHFFFAOYSA-N 243.226 -0.123 50 20 BBGD COc1cccc(C(=O)NNC(C)=O)n1 752788669 GQMHUTGYXCHRAY-UHFFFAOYSA-N 209.205 -0.129 50 20 BBGD COC[C@@](C)(O)C(=O)NNc1ncccn1 754968059 SZTOXURXASFTBA-SECBINFHSA-N 226.236 -0.683 50 20 BBGD CCCNC(=O)NNC(=O)CCCC(=O)NC 780486314 XFBRTKFVHXFXAJ-UHFFFAOYSA-N 244.295 -0.357 50 20 BBGD CCNC(=O)N(C)NC(=O)Cn1cc(C)cn1 780706359 NARPJPRLKZRMFC-UHFFFAOYSA-N 239.279 -0.116 50 20 BBGD C[C@H]1COC(=O)C1=NNC(=O)Cc1cc[nH]n1 814957479 HXSQTLHDFFFXGK-LURJTMIESA-N 236.231 -0.383 50 20 BBGD C[C@@H](CO)N(C)NC(=O)[C@@H]1CCCN1C 823959921 SFAAUHPNNUCNDL-IUCAKERBSA-N 215.297 -0.576 50 20 BBGD CC(C)OCC(=O)NN(C)[C@@H](C)CO 823964925 GFXALEHEIPCXDV-QMMMGPOBSA-N 204.270 -0.245 50 20 BBGD C#CCCNC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 825994605 LHKXHJDQMNYQFK-RKDXNWHRSA-N 239.275 -0.235 50 20 BBGD CC(C)C(=O)NNC(=O)CN1CCCC1 827353705 HPMDTGKPNIMRAB-UHFFFAOYSA-N 213.281 -0.114 50 20 BBGD CCO/C=C(/C#N)C(=O)N1CCC[C@H]1C(N)=O 862896940 BTIFANNQWTWQBW-FUOZMLNRSA-N 237.259 -0.093 50 20 BBGD COCCOCC(=O)NNC1=NCC(O)=C1 872401833 KRTCKYBNTUBAHG-UHFFFAOYSA-N 229.236 -0.876 50 20 BBGD O=C(CN1CCC(F)CC1)NNC(=O)C1CC1 880241546 WPVJNBJDCGFFJA-UHFFFAOYSA-N 243.282 -0.022 50 20 BBGD C[C@H](O)CN(C)NC(=O)Cn1cccn1 910179336 KURIOPFBASYNGF-QMMMGPOBSA-N 212.253 -0.773 50 20 BBGD CC1=NO[C@](C)(C(=O)NNC(=O)N(C)C)C1 1120594246 MAGBDTJFPBKJAU-VIFPVBQESA-N 228.252 -0.156 50 20 BBGD CCCC(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 1248467970 GVLRVQAGPKGSGE-ZETCQYMHSA-N 248.304 -0.631 50 20 BBGD Cc1c(C(=O)NNC(=O)NC2CC2)nnn1C 1319066445 NMVNQONVISNEQU-UHFFFAOYSA-N 238.251 -0.770 50 20 BBGD Cn1nc(C(=O)NNC(=O)C2CC2)cc1O 1327720894 SWNXQZQJVYLMEG-UHFFFAOYSA-N 224.220 -0.703 50 20 BBGD CNC(=O)NNC(=O)c1cnc2nccnc2c1 1342448647 KUILRVANWYWYSE-UHFFFAOYSA-N 246.230 -0.401 50 20 BBGD Cc1cc(=NNC(=O)[C@@H](C)CN)cc[nH]1 1574086540 PQKYAAOAONUJMI-ZETCQYMHSA-N 208.265 -0.150 50 20 BBGD O=C(NNC(=O)c1cnccn1)c1ccncc1 192742844 KESLMFVITCZWJS-UHFFFAOYSA-N 243.226 -0.054 50 20 BBGD CC[C@@H](C)NC(=O)c1cccc(B(O)O)c1 584923802 NXDWBUZSBPTKSI-MRVPVSSYSA-N 221.065 -0.105 50 20 BBGD CC(C)[C@H](C#N)NC(=O)c1cccc(B(O)O)c1 584977569 XYQWZQMVMDGOAS-NSHDSACASA-N 246.075 -0.356 50 20 BBGD C[C@H]1C[C@@H](NCc2ccc(B(O)O)o2)CO1 585048007 IQQHWVGJSWIVDV-JGVFFNPUSA-N 225.053 -0.774 50 20 BBGD CC(C)NC(=O)NNC(=O)[C@H]1C[C@@H]1C(=O)O 736476917 XAQDHHRAORAJNR-WDSKDSINSA-N 229.236 -0.554 50 20 BBGD O=C(NNc1ncc(F)cn1)C1=COCCO1 760920863 OKFZVEGQCPETDS-UHFFFAOYSA-N 240.194 -0.053 50 20 BBGD CC[C@@H](C(=O)NNC(=O)NC1CC1)N(C)C 765118597 MWXGDGCQBTVYOB-QMMMGPOBSA-N 228.296 -0.181 50 20 BBGD CCc1nn(C)cc1C(=O)NNC(C)=O 770865558 YPTMFDCJKPTMPZ-UHFFFAOYSA-N 210.237 -0.237 50 20 BBGD N#CSCCCNC(=O)CSCC(N)=O 773593215 FPIPUKUTLMFQRN-UHFFFAOYSA-N 247.345 -0.075 50 20 BBGD COC(=O)CNC(=O)NN=C1C[C@@H](C)N(C)C1 779822887 IOSGNSMQCIMISL-SSDOTTSWSA-N 242.279 -0.461 50 20 BBGD CC(C)(O)C(=O)NNC(=O)C1[C@@H]2CCC[C@@H]12 787947080 IYQGDFQUYMTOCG-RNFRBKRXSA-N 226.276 -0.049 50 20 BBGD CONC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 826940440 INWCIMDGRMUQJM-PHDIDXHHSA-N 217.225 -0.697 50 20 BBGD CNC(=S)N(C)NC(=O)[C@]1(O)CCSC1 854923457 WMBZNFBTGZKBQD-QMMMGPOBSA-N 249.361 -0.678 50 20 BBGD O=C(C[C@H]1CCCO1)NNC(=O)c1cn[nH]c1 862469611 QIVHOGWYTJMPHY-MRVPVSSYSA-N 238.247 -0.260 50 20 BBGD O=C1CCCCN1COc1ccc(B(O)O)cc1 863865596 HYVHENGNNXSPIG-UHFFFAOYSA-N 249.075 -0.285 50 20 BBGD NNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 920087902 NQPTZDDODMONNQ-UHFFFAOYSA-N 248.202 -0.221 50 20 BBGD CC(=O)NNC(=O)CCOC[C@@H]1CCCO1 920430346 KFRADKWZNUYIOD-VIFPVBQESA-N 230.264 -0.261 50 20 BBGD CS(=O)(=O)Nc1ccc(F)cc1C(=O)NN 920433217 CENZSZQBSNNZJC-UHFFFAOYSA-N 247.251 -0.199 50 20 BBGD O=C(NN=Cc1ccccn1)C(=O)NC1CC1 1115816463 NSTAMBIUPIFQCW-UHFFFAOYSA-N 232.243 -0.190 50 20 BBGD CCNC(=O)NNC(=O)c1ccc2nnnn2c1 1116259113 RWURXSMLWLAPHH-UHFFFAOYSA-N 249.234 -0.912 50 20 BBGD N#CC1=CCN(C(=O)CCNC(N)=O)CC1 1137601412 MDFGIQUPGVIJQI-UHFFFAOYSA-N 222.248 -0.273 50 20 BBGD CN1CCC(C(=O)NNC(=O)C2CC2)CC1 1323383647 XAAYQGYCKAGNIH-UHFFFAOYSA-N 225.292 -0.114 50 20 BBGD O=C(c1ccoc1)N1CC[C@H](B(O)O)C1 1329291740 GOBNDSDXKTVFQC-QMMMGPOBSA-N 209.010 -0.032 50 20 BBGD C#CC(=O)NNC(=O)c1n[nH]c2c1CCCC2 1336655887 MLZOPQTUQZULQQ-UHFFFAOYSA-N 232.243 -0.317 50 20 BBGD CC#CC[C@H](N)C(=O)NNc1ncccn1 1574973086 SBUPZFKLCLHIMQ-QMMMGPOBSA-N 219.248 -0.340 50 20 BBGD Cn1cc(C(=O)NNC(=O)[C@H]2CCCO2)cn1 32259020 JUXJOJPKFHPZRW-MRVPVSSYSA-N 238.247 -0.640 50 20 BBGD O=C(NC1CC=CC1)c1ccc(B(O)O)c(F)c1 584962295 LIFNDRTVPDHYKV-UHFFFAOYSA-N 249.050 -0.046 50 20 BBGD Cn1ccc(C(=O)NNC(=O)c2cccnc2)n1 727364818 WAQAXSSOYQWATP-UHFFFAOYSA-N 245.242 -0.110 50 20 BBGD CC(C)(O)C(=O)NNC(=O)C1(C)CC1 768240666 GFMFDUXZHWVGPN-UHFFFAOYSA-N 200.238 -0.295 50 20 BBGD Cc1cc(C(=O)NN(C)C(N)=O)cc(O)n1 778415787 RRNLIUBYPVIUIU-UHFFFAOYSA-N 224.220 -0.249 50 20 BBGD CNC(=O)C1(C(=O)NN=c2cc[nH]cc2)CCC1 780753408 AUIQVPGSSBDKLF-UHFFFAOYSA-N 248.286 -0.137 50 20 BBGD C=CCNC(=S)NNC(=O)COCC=C 798304703 IKYZCERTMYJFJF-UHFFFAOYSA-N 229.305 -0.130 50 20 BBGD O=C(CO)NNC(=O)Nc1cc2ccccn2n1 806651994 KVYMKKUCWVHMNH-UHFFFAOYSA-N 249.230 -0.521 50 20 BBGD COCCN(C)NC(=O)C(C)(C)OC(C)=O 816562365 IUYULVJUASDABW-UHFFFAOYSA-N 232.280 -0.063 50 20 BBGD C=C[C@@H](O)C(=O)NNc1nccnc1OC 816970529 CCQQMXPVGQSDBB-ZCFIWIBFSA-N 224.220 -0.525 50 20 BBGD CC(C)(C)C(=O)NNC(=O)NCCC(=O)O 817797328 XWOCTFNNWADRTR-UHFFFAOYSA-N 231.252 -0.162 50 20 BBGD CN1C[C@H](C(=O)NN(C)C2CC2)CC1=O 819645997 XWKVPJJYVFDDPW-SSDOTTSWSA-N 211.265 -0.410 50 20 BBGD CCCCC[C@@H](O)C(=O)NNC(=O)NC 822738901 GOENYPQWMLRNHH-SSDOTTSWSA-N 217.269 -0.112 50 20 BBGD CC(C)[C@H](NC=O)C(=O)NN(C)[C@H](C)CO 823908044 SKHWXPWGYXYOJU-BDAKNGLRSA-N 231.296 -0.899 50 20 BBGD CNC(=O)NNC(=O)C[C@H](OC)C(F)(F)F 845275407 MAWAIEPNRLTXPM-BYPYZUCNSA-N 243.185 -0.086 50 20 BBGD CCONC(=O)CNS(=O)(=O)CCl 846002722 MBXREYVEGOENMA-UHFFFAOYSA-N 230.673 -0.830 50 20 BBGD COCCN(C)NC(=O)Cn1cc(C)cn1 848377345 JHPGPFPPNJCLHO-UHFFFAOYSA-N 226.280 -0.199 50 20 BBGD NNC(=O)[C@@H]1CC(=O)N[C@H]2CCCC[C@@H]21 852771970 FBAJMDVDJQISKV-PRJMDXOYSA-N 211.265 -0.329 50 20 BBGD CCO[C@H]1C[C@@H]1C(=O)NNC(=O)c1cn[nH]c1 862475071 XWTVHQVVXQWTPL-YUMQZZPRSA-N 238.247 -0.404 50 20 BBGD C[C@@H](O)CN(C)NC(=O)C1(O)CCSCC1 910155659 OMXPJUHRPHPCOA-MRVPVSSYSA-N 248.348 -0.412 50 20 BBGD COC(=O)C(=O)NNC(=O)N[C@@H](C)C1CCC1 1253663334 RIVKEELUHLETEA-LURJTMIESA-N 243.263 -0.322 50 20 BBGD C[C@H](C(=O)NNc1cnnn1C)n1ccnc1 1261772519 ACZBAMOTTDTLMG-SSDOTTSWSA-N 235.251 -0.284 50 20 BBGD CC(=O)NNC(=O)CCc1nccn1C 1263699819 APPALYOOUOLSBL-UHFFFAOYSA-N 210.237 -0.480 50 20 BBGD O=C(Cc1cccnc1)NNC(=O)[C@@H]1CCOC1 1322468876 MNPIDFVYMSNSFF-SNVBAGLBSA-N 249.270 -0.192 50 20 BBGD C=C[C@@H](O)C(=O)NNC(=S)NC(C)C 1330102364 DTEDMVBRYMMGIZ-ZCFIWIBFSA-N 217.294 -0.563 50 20 BBGD CC(=NNC(=O)[C@@H]1CCC(=O)N1)c1ccncn1 1331822341 UFOMVOIIVNINEW-VIFPVBQESA-N 247.258 -0.405 50 20 BBGD O=C(O)c1ccc(C(=O)NNc2nc[nH]n2)[nH]1 1602324410 MWOMORKCHGWWPG-UHFFFAOYSA-N 236.191 -0.412 50 20 BBGD O=C(c1ccc(B(O)O)c(F)c1)N1CC(F)C1 584973232 NOODFBNWLGSMFY-UHFFFAOYSA-N 241.002 -0.701 50 20 BBGD CSC[C@@H](C)NCc1ccc(B(O)O)o1 585028795 NGIRGCPYPHHUFT-SSDOTTSWSA-N 229.110 -0.200 50 20 BBGD CC1(C)CC[C@@H](C(=O)NNC(=O)CO)C1 753439366 MKYLIHNIMWRXRU-SSDOTTSWSA-N 214.265 -0.048 50 20 BBGD CCCCOCC(=O)NNC(=O)C(C)(C)O 787944559 ASZXBTCALHVMFY-UHFFFAOYSA-N 232.280 -0.279 50 20 BBGD CC(C)(O)C(=O)NNC(=O)[C@@H]1CCCOC1 787948266 AICYMYQMHCLIFG-SSDOTTSWSA-N 230.264 -0.669 50 20 BBGD CO[C@@H]1CCC[C@@H](CC(=O)NNC(=O)CO)C1 795238596 LJNXBYCHMUOVRO-RKDXNWHRSA-N 244.291 -0.279 50 20 BBGD O=C(Cn1cccn1)NNc1ccncn1 857520055 LPXJGLIDUVTWTE-UHFFFAOYSA-N 218.220 -0.184 50 20 BBGD CCC[C@H](O)CC(=O)NNC(=O)c1cn[nH]c1 862472925 XOUOJURVFYOKLA-QMMMGPOBSA-N 240.263 -0.278 50 20 BBGD Cc1cc(=NNC(=O)[C@H]2CC(=O)N(C)C2)cc[nH]1 862509290 IBNQNQWDNDHVMW-VIFPVBQESA-N 248.286 -0.267 50 20 BBGD CS(=O)(=O)CC(=O)NN=C[C@@H]1CCCOC1 863186309 WBUAXGPZXACVTD-QMMMGPOBSA-N 248.304 -0.440 50 20 BBGD O=C(NNC(=O)[C@@H]1CCCNC1=O)C1CCC1 865701860 QUGMGVRNDNSHJT-MRVPVSSYSA-N 239.275 -0.540 50 20 BBGD OB(O)c1ccc(CNC[C@H]2C[C@H](O)C2)cc1 877811741 VNJFWMWXNDRGLA-UMSPYCQHSA-N 235.092 -0.773 50 20 BBGD COC(=O)CC(=O)NNc1ncncc1F 908372038 PXMLDIDFPPSBOI-UHFFFAOYSA-N 228.183 -0.378 50 20 BBGD C[C@@H](O)CN(C)NC(=O)[C@@H]1CCN(C)[C@@H]1C 910145432 BDMIBOCXKPOSDL-OPRDCNLKSA-N 229.324 -0.330 50 20 BBGD C[C@H](O)CN(C)NC(=O)[C@H]1CCC(=O)C1 910145958 GYJFTNGLPZQNSI-YUMQZZPRSA-N 214.265 -0.301 50 20 BBGD Cc1nonc1CC(=O)NN(C)C[C@H](C)O 910146921 NEXASSRVUVCTAH-LURJTMIESA-N 228.252 -0.736 50 20 BBGD CN(C)C(=O)NNC(=O)c1ccc(C#N)cn1 1116012092 YYNUVNXDGKWBMZ-UHFFFAOYSA-N 233.231 -0.131 50 20 BBGD O=C(CCO)NNC(=O)Nc1cnns1 1116777365 MBXJSCBBOXFGCQ-UHFFFAOYSA-N 231.237 -0.927 50 20 BBGD CN(NC(=O)c1c2c(nn1C)CCC2)C(N)=O 1120046311 BCUGHCXESSQZBZ-UHFFFAOYSA-N 237.263 -0.436 50 20 BBGD CCOCC(=O)NNC(=O)NCc1cc[nH]n1 1318361861 CCVLZYYDWOGWTD-UHFFFAOYSA-N 241.251 -0.723 50 20 BBGD C[C@H]1OCC[C@H]1C(=O)NNC=C(C#N)C#N 1327072743 SWNREXHIIFJBAC-VXNVDRBHSA-N 220.232 -0.037 50 20 BBGD O=S(=O)(C1CC1)N1CC[C@@H](B(O)O)C1 1335433592 SJIDBADDZRIYDZ-ZCFIWIBFSA-N 219.071 -0.973 50 20 BBGD NC(=O)C(=O)NN=Cc1cccnc1Cl 1343873148 RZWZCBKWODGSCM-UHFFFAOYSA-N 226.623 -0.330 50 20 BBGD CC(C)C(=O)NNC(=O)CN(C)[C@@H](C)C(=O)O 1590940364 YRWVFBPQPOHAEP-ZETCQYMHSA-N 245.279 -0.805 50 20 BBGD Cn1nncc1NNC(=O)CCCC(=O)O 1594597800 FGYQYYQBPHVWOC-UHFFFAOYSA-N 227.224 -0.487 50 20 BBGD C[C@H]1OCC(=NNC(=O)C(=O)O)[C@H]1C 1594638493 CJIJVQZFPLDMEP-CRCLSJGQSA-N 200.194 -0.402 50 20 BBGD CO[C@H](C)CCNCc1ccc(B(O)O)cc1 585021073 OUMXIHIIFLJUNY-SNVBAGLBSA-N 237.108 -0.119 50 20 BBGD COc1cc(C(=O)NCB(O)O)ccc1C 585061459 YCTCQCSDBJAVNK-UHFFFAOYSA-N 223.037 -0.255 50 20 BBGD CCNC(=O)NNC(=O)[C@H]1CCCO1 755663648 CCCUCQKJBSXMAZ-ZCFIWIBFSA-N 201.226 -0.484 50 20 BBGD CN1C(=O)CC[C@H]1C(=O)NNC(=O)C(C)(C)C 785292162 KBRAUVQJRBVLEB-ZETCQYMHSA-N 241.291 -0.199 50 20 BBGD CCC(=O)NNC(=O)N1CCN(C)CC1 788168889 HCKBJCQQHGMYPD-UHFFFAOYSA-N 214.269 -0.615 50 20 BBGD CCCCNC(=O)NNC(=O)[C@@H]1CC(=O)N1 823763629 YRWAGBAZITVASV-LURJTMIESA-N 228.252 -0.995 50 20 BBGD C[C@@H](CO)N(C)NC(=O)CCn1cccn1 823976698 HMEBAHCCXWLGFN-VIFPVBQESA-N 226.280 -0.383 50 20 BBGD CC(=O)CCC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 843971943 CSHDWEKGRFUWMT-RKDXNWHRSA-N 242.275 -0.072 50 20 BBGD Cc1nonc1CC(=O)NNC(=O)CC1CC1 846228228 KYLGBTKSYORTKI-UHFFFAOYSA-N 238.247 -0.132 50 20 BBGD COCn1ccc(C(=O)NNC(=O)C(C)C)n1 854214041 DOMBQFCDMIRFMO-UHFFFAOYSA-N 240.263 -0.096 50 20 BBGD CNC(=S)N(C)NC(=O)Cc1nonc1C 854927682 ODISVCDVONILKH-UHFFFAOYSA-N 243.292 -0.612 50 20 BBGD CCO[C@@H](C(=O)NNC(=O)C(C)(C)O)C1CC1 861206184 RPWFQVICJOOGIA-MRVPVSSYSA-N 244.291 -0.280 50 20 BBGD CC(C)[C@@H](O)C(=O)NNC(=O)c1cn[nH]c1 862469907 FIEGRFPJHULFHX-SSDOTTSWSA-N 226.236 -0.812 50 20 BBGD CC(C)(C)C(=O)NNC(=O)CCc1cnn[nH]1 864888745 GHDHEGYZVZEXAB-UHFFFAOYSA-N 239.279 -0.069 50 20 BBGD COC(OC)C(=O)NNC(=S)NC(C)(C)C 899999731 UWUMCRNCCWKHBV-UHFFFAOYSA-N 249.336 -0.101 50 20 BBGD O=C(CN1C(=O)CNC1=O)NNc1ccccn1 1116496860 WALIFRWGKXOTIX-UHFFFAOYSA-N 249.230 -0.924 50 20 BBGD NC(=O)[C@H]1CC[C@H]1C(=O)NNc1ncccn1 1118369231 XWIPZAACUMHFEM-NKWVEPMBSA-N 235.247 -0.569 50 20 BBGD Cc1noc(CCCC(=O)NN(C)C(N)=O)n1 1323345741 MANROPGLAXMMOA-UHFFFAOYSA-N 241.251 -0.258 50 20 BBGD CN(C)C(=O)NNC(=O)c1cccc(C#N)n1 1324306722 ZGUKHGZOQKECSO-UHFFFAOYSA-N 233.231 -0.131 50 20 BBGD CCN(CCO)NC(=O)CCc1ccncn1 1330262641 YEMJEVFIMKXQRV-UHFFFAOYSA-N 238.291 -0.245 50 20 BBGD CN(NC(=O)CCc1cncn1C)C(N)=O 1344745032 PJFHHTRPEVLGKS-UHFFFAOYSA-N 225.252 -0.606 50 20 BBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@@H]1C[C@@H]1F 1346863379 RAZVPGBVVXPFLR-HSNKUXOKSA-N 230.239 -0.083 50 20 BBGD CCNC(=O)NNC(=O)c1[nH]c(C)nc1C 1353877439 WEKHHJMGSNYTMG-UHFFFAOYSA-N 225.252 -0.010 50 20 BBGD Cn1nncc1NNC(=O)[C@@H](C(=O)O)C1CC1 1594598188 LQHQFKIMPMUWMT-ZETCQYMHSA-N 239.235 -0.631 50 20 BBGD CN(NC(=O)c1ccc(C(=O)O)nc1)C(N)=O 1598541277 KWACTVSFBVZVFR-UHFFFAOYSA-N 238.203 -0.565 50 20 BBGD O=C(O)C(=O)NN=Cc1cnc2ncccn12 1608530755 DBPRYTKXUVSBGY-UHFFFAOYSA-N 233.187 -0.736 50 20 BBGD NC(=O)NNC(=O)c1ccc2c(c1)OCCO2 70193596 BZRNMGRDOMKTAX-UHFFFAOYSA-N 237.215 -0.229 50 20 BBGD OB(O)c1ccc(CN[C@H]2CCSC2)o1 585039927 ZRPLKDKBDOEROU-ZETCQYMHSA-N 227.094 -0.446 50 20 BBGD CNC(=O)c1ccc(C(=O)NNC(C)=O)cn1 728603830 RSDSYVATADLUAC-UHFFFAOYSA-N 236.231 -0.778 50 20 BBGD COCCCNC(=O)NNC(=O)[C@@H](C)C#N 746167073 NNMBTEUQZAAXLK-ZETCQYMHSA-N 228.252 -0.487 50 20 BBGD CCOc1cccc(C=NNC(=O)C(N)=O)n1 763116641 LMPUQRMKPCUTBX-UHFFFAOYSA-N 236.231 -0.584 50 20 BBGD CCNC(=O)NNC(=O)[C@H](O)c1cccnc1 764879450 DUHFPRQBPFWNCK-MRVPVSSYSA-N 238.247 -0.535 50 20 BBGD CCNC(=O)NNC(=O)c1cncc(O)c1 785956148 NUVFOOAUBAREGI-UHFFFAOYSA-N 224.220 -0.249 50 20 BBGD CON=CC(=O)NNC(=O)c1ccc(C#N)cc1 809641856 UYMCULYHIRLVDU-UHFFFAOYSA-N 246.226 -0.049 50 20 BBGD CC(C)c1nn(C)cc1C(=O)NNC(=O)CO 819924334 DJPGZPKSWBDCTF-UHFFFAOYSA-N 240.263 -0.703 50 20 BBGD CC(C)CC(=O)NNC(=O)N[C@H]1CCNC1 851672479 OFEDQTGQVFKRAF-QMMMGPOBSA-N 228.296 -0.275 50 20 BBGD CC[C@H](C(=O)NNC(=O)c1cn[nH]c1)[C@@H](C)O 863934618 FRMKDKIKALXHAZ-SVRRBLITSA-N 240.263 -0.422 50 20 BBGD O=C(NCC1CC1)NN=C1CCS(=O)(=O)C1 920828983 VZMXXAMTHMWUDN-UHFFFAOYSA-N 245.304 -0.130 50 20 BBGD COC(=O)NCC(=O)NNc1ccn(C)n1 1256185478 VIRWJVWXYFKLNP-UHFFFAOYSA-N 227.224 -0.781 50 20 BBGD C[C@H](O)CN(C)NC(=O)c1cnc2[nH]ncc2c1 1520230941 IAGCXBKSLXXPGZ-ZETCQYMHSA-N 249.274 -0.085 50 20 BBGD CC(=O)NNC(=O)[C@@H](C(=O)O)C(C)(C)C 1588514629 OVQQSNILYZYEAY-LURJTMIESA-N 216.237 -0.099 50 20 BBGD CN1CCC[C@@H]1C(=O)NNC(=O)c1ccncc1 264998294 UOUIVQFHKXZNPH-SNVBAGLBSA-N 248.286 -0.063 50 20 BBGD COC(=O)NCCCC(=O)NNC(=O)N(C)C 491265436 MWPYIYWFBCRIRM-UHFFFAOYSA-N 246.267 -0.575 50 20 BBGD CN1CCC[C@H]1CNCc1ccc(B(O)O)o1 585019264 HUGGCZZBLYDFDO-VIFPVBQESA-N 238.096 -0.857 50 20 BBGD CO[C@@H](C)[C@H](C)NCc1cccc(B(O)O)c1 585037485 ZJZMBOBIJKYKNB-UWVGGRQHSA-N 237.108 -0.121 50 20 BBGD OB(O)c1cccc(CNC[C@H]2CC[C@@H](O)C2)c1 585038021 PTZAGUCTAFNNCG-WCQYABFASA-N 249.119 -0.383 50 20 BBGD O=S(=O)(CCC1CC1)N1CC[C@H](B(O)O)C1 585058138 AMDAWWLDZHPIOG-VIFPVBQESA-N 247.125 -0.335 50 20 BBGD O=C(NCB(O)O)[C@@H]1[C@H]2Cc3ccccc3[C@@H]21 585062258 FCGUFVRSQVHDPZ-GARJFASQSA-N 231.060 -0.300 50 20 BBGD CN1C(=O)CC[C@H]1C(=O)NNC(=O)NC1CC1 751527901 JZPSTJHHEKWWKU-ZETCQYMHSA-N 240.263 -0.900 50 20 BBGD CC(C)NC(=O)NNC(=O)C(C)(C)O 756818012 KBNWRGMKIOJZPK-UHFFFAOYSA-N 203.242 -0.504 50 20 BBGD CC(C)C(=O)NNC(=O)[C@@H]1CCN(C)C1=O 771883395 IMXWMXFBDBWLFQ-ZETCQYMHSA-N 227.264 -0.732 50 20 BBGD O=C(CO)NN=C1CCN(c2cnccn2)CC1 776783156 YGGZKEQVUCBIHV-UHFFFAOYSA-N 249.274 -0.459 50 20 BBGD C#CCN1CCC[C@H]1C(=O)NN(C)C(=O)OC 804125210 QOJZUQVIFHOCIQ-VIFPVBQESA-N 239.275 -0.187 50 20 BBGD O=C(NNc1ncccn1)C1(n2cnnn2)CC1 820934969 LCTLJLMVZWDXLY-UHFFFAOYSA-N 246.234 -0.905 50 20 BBGD CN(C)CC(=O)NNC(=O)C1CC2(CC2)C1 857107977 CSMUXBSPCCONCQ-UHFFFAOYSA-N 225.292 -0.114 50 20 BBGD CC[C@@H](C)OCC(=O)NNC(=O)c1cn[nH]c1 862472571 MZVFYLYHUITSNQ-SSDOTTSWSA-N 240.263 -0.014 50 20 BBGD CN(C)c1ccnc(N2CC[C@@H](B(O)O)C2)n1 864234184 QHJFAQSDKMPDGJ-MRVPVSSYSA-N 236.084 -0.404 50 20 BBGD COC(=O)NNC(=S)NC1CCOCC1 1325990585 IYHVVUMTPJFVJR-UHFFFAOYSA-N 233.293 -0.100 50 20 BBGD CNC(=S)N(C)NC(=O)c1cn(C)cn1 1328744908 NFPHNGRNUCXDKQ-UHFFFAOYSA-N 227.293 -0.499 50 20 BBGD C[C@@H](Cc1cnc[nH]1)C(=O)NNC(=O)N(C)C 1329041087 XJCHATVEBOMMHJ-ZETCQYMHSA-N 239.279 -0.109 50 20 BBGD O=C(NN=Cc1ncc[nH]1)C(=O)NC1CC1 1338729418 LTUJYENIVUZVBI-UHFFFAOYSA-N 221.220 -0.862 50 20 BBGD N#CC1=CCN(C(=O)CN2CCNC(=O)C2)CC1 1350589618 PJBACQPCFBSELE-UHFFFAOYSA-N 248.286 -0.900 50 20 BBGD CCNC(=O)NNC(=O)CCSCCCN 1577793600 QDWDBTQBNHMKPL-UHFFFAOYSA-N 248.352 -0.191 50 20 BBGD COc1ccnc(NNC(=O)[C@H]2CCOC2)n1 66914720 WYAVIEBUTZRZIB-ZETCQYMHSA-N 238.247 -0.035 50 20 BBGD COc1nccnc1NNC(=O)C1CC(=O)C1 131962262 NQZBLIFXQMQFQH-UHFFFAOYSA-N 236.231 -0.093 50 20 BBGD OB(O)c1ccnc(-c2ccccn2)c1 195962384 SSKPTWIJWAIVCN-UHFFFAOYSA-N 200.006 -0.177 50 20 BBGD CC(C)(O)CC(=O)Nc1cccc(B(O)O)c1 584912400 FGAREYNSRSEHNG-UHFFFAOYSA-N 237.064 -0.534 50 20 BBGD OB(O)c1ccccc1CNCC1[C@H]2COC[C@H]12 585040075 FHUPSVOOFKSXMM-VXGBXAGGSA-N 247.103 -0.652 50 20 BBGD OC/C=C/CNCc1cccc(B(O)O)c1 585046839 CFZRQOSUGVDEAH-OWOJBTEDSA-N 221.065 -0.996 50 20 BBGD C=CCCCC(=O)NNC(=O)C(=O)NC1CC1 748287383 MKKLGBNMIOGOEY-UHFFFAOYSA-N 239.275 -0.231 50 20 BBGD O=C(CO)NNC(=O)c1nc(Cl)ccc1F 753438329 CVLSHIOUOZGQHB-UHFFFAOYSA-N 247.613 -0.373 50 20 BBGD C#CC(=O)NNC(=O)c1ccc2c(c1)OCCO2 753908223 YRQCUMQPPNICEC-UHFFFAOYSA-N 246.222 -0.148 50 20 BBGD COC(=O)C[C@H](C)C(=O)NNC(C)=O 758909079 KNGMXHNTDHJBBU-YFKPBYRVSA-N 202.210 -0.647 50 20 BBGD CC[C@H](C(=O)NNC(=O)N(C)C)N(C)C 765332404 XKLWZCFAKVIHQW-SSDOTTSWSA-N 216.285 -0.371 50 20 BBGD CC(C)(O)C(=O)NNC(=O)CCn1ccnc1 768241001 IIJPYGCJFOTASW-UHFFFAOYSA-N 240.263 -0.809 50 20 BBGD CN1CCN(C(=O)NNC(=O)C2CC2)CC1 788165676 FXRGNEWKNYOZQK-UHFFFAOYSA-N 226.280 -0.615 50 20 BBGD C[C@@H]1C[C@@H](C)[C@H](C(=O)NN(C)C(N)=O)O1 800527395 RJWBPKLYYBFNOF-FSDSQADBSA-N 215.253 -0.158 50 20 BBGD COCCN(C)NC(=O)CN1CCSC1=O 808074027 ODYXZUMXPBYGDH-UHFFFAOYSA-N 247.320 -0.235 50 20 BBGD C[C@@H](CO)N(C)NC(=O)COC(F)F 823923081 OVZMOYVLVRVUKQ-YFKPBYRVSA-N 212.196 -0.431 50 20 BBGD CCN(CC(=O)NN(C)[C@@H](C)CO)C1CC1 823946004 BZKKHIKLQRBRIM-VIFPVBQESA-N 229.324 -0.186 50 20 BBGD C[C@@H](CO)N(C)NC(=O)[C@H]1CCCCO1 823946237 GEKJSULQYQVSTM-DTWKUNHWSA-N 216.281 -0.101 50 20 BBGD N[C@@H]1CCN(S(=O)(=O)CBr)C1 850582549 RMAPIWADAAOHLH-RXMQYKEDSA-N 243.126 -0.298 50 20 BBGD Cc1cccc(NNC(=O)[C@H](C)NC(N)=O)n1 862521543 QQEQLJXFISAJPR-ZETCQYMHSA-N 237.263 -0.110 50 20 BBGD CCC/C=C\C(=O)NNC(=O)CS(C)(=O)=O 863459539 VONZTTFNQIZDPL-WAYWQWQTSA-N 248.304 -0.465 50 20 BBGD CCO[C@@H](C(=O)NNC(=O)CN(C)C)C1CC1 863865070 IIAGNHIJDWXJEH-SNVBAGLBSA-N 243.307 -0.490 50 20 BBGD CCO/C=C(/C#N)C(=O)N[C@@H]1COC[C@@H]1O 869936629 GYSNFXYLPRHAES-IUYFFOMESA-N 226.232 -0.694 50 20 BBGD C#CCOCCNC(=O)NN(C)C(=O)OC 875484785 DNMFWXNOKXJRQS-UHFFFAOYSA-N 229.236 -0.451 50 20 BBGD COc1cc(CO)ccc1C(=O)NNC(C)=O 899925914 CRHQASPVHSQDMW-UHFFFAOYSA-N 238.243 -0.032 50 20 BBGD C[C@@H](O)CN(C)NC(=O)[C@H](O)C(C)(C)C 910156214 QYOQSJVJSHNRQQ-SFYZADRCSA-N 218.297 -0.263 50 20 BBGD CC(C)(F)C(=O)NNC(=O)CN1CCCC1=O 913732132 JJPNIKMCUDUOMB-UHFFFAOYSA-N 245.254 -0.496 50 20 BBGD CC[C@](C)(O)C(=O)NNC(=O)C(C)C 929287100 IALBJVKXRVUVOG-VIFPVBQESA-N 202.254 -0.049 50 20 BBGD CC(=O)NNC(=O)c1ccc(S(C)(=O)=O)o1 1330503001 DESQRPDMROVCDQ-UHFFFAOYSA-N 246.244 -0.536 50 20 BBGD Cc1nn(C)cc1C=NNC(=O)NCC(=O)O 1600775513 AMOMNDZWHRJPEC-UHFFFAOYSA-N 239.235 -0.554 50 20 BBGD COC(=O)CNC(=O)NN=CC[C@@H](C)C(=O)O 1606471019 SWIVKJHTEFEICL-ZCFIWIBFSA-N 245.235 -0.445 50 20 BBGD CC(C)NC(=O)C(=O)NNC(=O)c1ccccc1 8389961 VJCMRLLPNOAQFZ-UHFFFAOYSA-N 249.270 -0.028 50 20 BBGD CNC(=O)NNC(=O)c1ccc(OC)nc1 48949811 KLBSRFKQOGPLRU-UHFFFAOYSA-N 224.220 -0.336 50 20 BBGD CCCc1ncc(C(=O)NNC(=O)CO)s1 180946518 VWHHGNCBUFJADI-UHFFFAOYSA-N 243.288 -0.151 50 20 BBGD COC(=O)c1ccc(C(=O)NNC(C)=O)nc1 199828328 XOBGACAQLSHHBK-UHFFFAOYSA-N 237.215 -0.351 50 20 BBGD CN(CCOCCO)S(=O)(=O)CCl 301046351 OOHZGEPLWDVYRH-UHFFFAOYSA-N 231.701 -0.547 50 20 BBGD CCNC(=O)CCCC(=O)NNC(=O)NCC 732754369 AXOIVLZSTCQXMH-UHFFFAOYSA-N 244.295 -0.357 50 20 BBGD Cn1cc(C=NNC(=O)N2CCOCC2)nn1 755671734 GAOXLLGISMKKJV-UHFFFAOYSA-N 238.251 -0.809 50 20 BBGD CC(C)[C@@](C)(O)C(=O)NNC(=O)NC1CC1 771271479 DPJMVONVPHGHSB-SNVBAGLBSA-N 229.280 -0.114 50 20 BBGD COCCCOCC(=O)NNC(=O)C(C)C 775642160 BDLVYMZXJBUMNN-UHFFFAOYSA-N 232.280 -0.157 50 20 BBGD CNC(=O)NNC(=O)Cc1ccccc1CO 779614780 GSNCIEKJJWQHAN-UHFFFAOYSA-N 237.259 -0.318 50 20 BBGD CCCNC(=O)NNC(=O)[C@](C)(O)C1CC1 804305737 UUTGWCBKBHLRPR-SNVBAGLBSA-N 229.280 -0.112 50 20 BBGD CCNC(=O)NN=Cc1cnn(CC)n1 841620694 KSZSHQDOAFZQSO-UHFFFAOYSA-N 210.241 -0.049 50 20 BBGD CNC[C@H](C)NC(=O)NNc1cccnn1 851681673 QLUAINXNLPSWNS-ZETCQYMHSA-N 224.268 -0.289 50 20 BBGD CC(Cn1cncn1)=NNC(=O)Cc1cc[nH]n1 853351244 ZAURPSMCIIXWFK-UHFFFAOYSA-N 247.262 -0.264 50 20 BBGD CC1=NO[C@@H](C(=O)NNC(=O)C(C)C)C1 854213761 BOPZZCLZMRULRB-SSDOTTSWSA-N 213.237 -0.045 50 20 BBGD CCCOCC(=O)NNC(=O)c1cn[nH]c1 862474249 HTMCGMWEEHENNW-UHFFFAOYSA-N 226.236 -0.403 50 20 BBGD Cc1cc(=NNC(=O)[C@H]2CC[C@H]2C(N)=O)cc[nH]1 862514315 XJVXHXPLWAGFAS-ZJUUUORDSA-N 248.286 -0.233 50 20 BBGD C#C[C@@H](CC)NC(=O)c1cccc(B(O)O)c1 863879856 FEIGSCRYYBDBRU-NSHDSACASA-N 231.060 -0.492 50 20 BBGD O=C(c1ccc(B(O)O)cc1)N1CCC[C@@H]2C[C@H]21 863882001 DXRURCQMHREWJP-ZYHUDNBSSA-N 245.087 -0.009 50 20 BBGD COC(=O)NNC(=O)[C@H]1CCCCN(C)C1=O 878000082 PLPFCFUUYPTQDW-SSDOTTSWSA-N 243.263 -0.368 50 20 BBGD C[C@H](O)CN(C)NC(=O)[C@](C)(O)C1CCC1 910146955 HOSXRCRXVZGOTC-GZMMTYOYSA-N 230.308 -0.119 50 20 BBGD COC(=O)NNC(=O)COCc1ccncc1 1323033452 FTYGEHOMQMIUEX-UHFFFAOYSA-N 239.231 -0.015 50 20 BBGD O=S(=O)(CCl)N1CCC[C@@H](O)C1 82511939 FPVJHPSCJFDFSS-ZCFIWIBFSA-N 213.686 -0.031 50 20 BBGD CCO/C=C(\C#N)C(=O)NC[C@H](O)C(=O)OC 490810675 AWKPEICDQVXJMC-CZEYKFRCSA-N 242.231 -0.920 50 20 BBGD COC(=O)NCC(=O)NNC(=O)C(C)(C)C 491139859 IULYLDYAKDLYIU-UHFFFAOYSA-N 231.252 -0.464 50 20 BBGD COC[C@](C)(O)C(=O)NNC(=O)OC(C)(C)C 493037202 WDZIGGSSVAARAU-JTQLQIEISA-N 248.279 -0.060 50 20 BBGD O=C(NCB(O)O)[C@H]1OCCc2ccccc21 585061592 WIUOVIVEAGTGNW-JTQLQIEISA-N 235.048 -0.571 50 20 BBGD C[C@H](CNC(=O)CCl)S(C)(=O)=O 697584985 KAKJGJVNXYNEAQ-RXMQYKEDSA-N 213.686 -0.226 50 20 BBGD CN(C)C(=O)NN=C1CCCS(=O)(=O)C1 731926994 VWCCHEYSRMUUQD-UHFFFAOYSA-N 233.293 -0.178 50 20 BBGD O=C(NNC(=O)[C@H]1COCCO1)C1CCC1 732141449 JTBWVTYDXINTSI-MRVPVSSYSA-N 228.248 -0.651 50 20 BBGD O=C(CO)NNC(=O)c1cnn2ccccc12 753445521 LLGBZWFKBPQBRR-UHFFFAOYSA-N 234.215 -0.912 50 20 BBGD CN1CCC(=NNC(=O)c2cccn2C)C1=O 761786919 STCNATAWNANPJM-UHFFFAOYSA-N 234.259 -0.027 50 20 BBGD CCN1CCOC[C@@H]1C(=O)NNC(=O)C1CC1 767162178 WEZJAHLQIHTWDW-SECBINFHSA-N 241.291 -0.736 50 20 BBGD C[C@@H](O)C(=O)NNC(=O)c1ccncc1 769530805 GECWJUOPZNXZAW-ZCFIWIBFSA-N 209.205 -0.777 50 20 BBGD COC(=O)c1cncc(C(=O)NNC(C)=O)c1 774255893 PNAPJTPVNWPHDL-UHFFFAOYSA-N 237.215 -0.351 50 20 BBGD O=C(NNc1cnccn1)[C@@]1(O)CCSC1 775280571 JDDJGRQQGPBYHF-SECBINFHSA-N 240.288 -0.212 50 20 BBGD CCNC(=O)CCC(=O)NN(CC)CCO 823856436 RRJLSPHQVPIGOJ-UHFFFAOYSA-N 231.296 -0.752 50 20 BBGD CCN(CCO)NC(=O)c1ccnnc1 823865074 HWOFLKRIMSHBIN-UHFFFAOYSA-N 210.237 -0.564 50 20 BBGD CCN(CCO)NC(=O)C1CC(=O)C1 823870039 WLFJZKQZVIOFSH-UHFFFAOYSA-N 200.238 -0.689 50 20 BBGD CC[C@H](C)C(=O)NNC(=O)c1ncon1 832825971 NGFKEXJIOQGNQO-YFKPBYRVSA-N 212.209 -0.123 50 20 BBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)C1(O)CCC1 843970777 LEHWQTCXSXGPAR-JGVFFNPUSA-N 242.275 -0.526 50 20 BBGD COc1ccc(C(=O)NNC(=O)CN(C)C)o1 848370079 ZGTRBLHBZLXNHS-UHFFFAOYSA-N 241.247 -0.389 50 20 BBGD C=C[C@](C)(O)C(=O)NNC(=O)[C@@H]1CCO[C@H]1C 855007049 SPQNEKGXFPKRQV-RNSXUZJQSA-N 242.275 -0.504 50 20 BBGD O=C1CC[C@@H](C(=O)NN=C[C@@H]2CCCOC2)N1 863149472 AIOYECCPOMXWLI-IUCAKERBSA-N 239.275 -0.206 50 20 BBGD O=C(c1cc(B(O)O)ccc1F)N1C[C@H]2C[C@H]2C1 863887396 HODLJHZHOFXQKG-OCAPTIKFSA-N 249.050 -0.403 50 20 BBGD C[C@H](O)CN(C)NC(=O)[C@@]1(C)CCOC1 910151710 IRPGLSJONLBAMY-WPRPVWTQSA-N 216.281 -0.243 50 20 BBGD C[C@H](O)CN(C)NC(=O)[C@H]1CCCCN1C 910166822 CMQQJFWQOYRVOE-VHSXEESVSA-N 229.324 -0.186 50 20 BBGD Cc1cnn(CC(=O)NN(C)C[C@H](C)O)c1 910166987 BBSBRNQKNNPQMB-VIFPVBQESA-N 226.280 -0.465 50 20 BBGD O=C(NNC(=O)c1cn[nH]c1)NC1CCC1 1261789822 RETRIGBVAKQJQB-UHFFFAOYSA-N 223.236 -0.094 50 20 BBGD Cn1cc(C(=O)N2CC[C@@H](B(O)O)C2)cn1 1261844569 SXAAWLVYZHIPHX-MRVPVSSYSA-N 223.041 -0.891 50 20 BBGD C#CC(=O)NNC(=O)C(C)(OCC)OCC 1262367104 IGRHUSLVUZAFLI-UHFFFAOYSA-N 228.248 -0.444 50 20 BBGD O=C(NNC(=S)NC1CC1)c1cn[nH]c1 1331731092 RAHACDBXTXPWCU-UHFFFAOYSA-N 225.277 -0.319 50 20 BBGD C[C@H](O)CN(C)NC(=O)C1(C#N)CCOCC1 1332174208 BCFSEHRLONSAOI-VIFPVBQESA-N 241.291 -0.349 50 20 BBGD CC[C@H](C(=O)NN(C)C(N)=O)N(C)C 181058405 MQJDMSYYAQQNMZ-ZCFIWIBFSA-N 202.258 -0.632 50 20 BBGD CN(C)CC(=O)NNC(=O)C1SCCS1 270708247 NUZTXIUVEHGAJO-UHFFFAOYSA-N 249.361 -0.499 50 20 BBGD COC(=O)NCCC(=O)NNC(=O)C1CC1 490894289 LLNKAKGFIBKSOX-UHFFFAOYSA-N 229.236 -0.710 50 20 BBGD CCc1ccccc1OCC(=O)NCB(O)O 585056080 JSKOMCLHVUCUMH-UHFFFAOYSA-N 237.064 -0.244 50 20 BBGD O=C(NCB(O)O)c1cc(C2CC2)[nH]n1 585060927 LSOBTARTWYVOSU-UHFFFAOYSA-N 209.014 -0.971 50 20 BBGD CCCNC(=O)NNC(=O)CCC(=O)NCC 732063589 ZRLIYTUQTKBRET-UHFFFAOYSA-N 244.295 -0.357 50 20 BBGD CCc1cccc(C(=O)NNC(=O)CO)c1O 753444675 OSWSVGYIEPAFFS-UHFFFAOYSA-N 238.243 -0.292 50 20 BBGD COc1nccnc1NNC(=O)c1cnn(C)c1 764483921 JKFUEMRXRDWVRL-UHFFFAOYSA-N 248.246 -0.024 50 20 BBGD CCO[C@H](CC)C(=O)NNC(=O)C(C)(C)O 768242168 ZUJJRLGTLHLGCW-SSDOTTSWSA-N 232.280 -0.280 50 20 BBGD CCC[C@H](O)C(=O)NNC(=O)[C@@H]1CCO[C@H]1C 823476527 ZVDNNTHXDNQPKW-YIZRAAEISA-N 244.291 -0.280 50 20 BBGD CCN(CCO)NC(=O)[C@@H]1CCCCO1 823869460 KCPKOGDKPZXNIX-VIFPVBQESA-N 216.281 -0.099 50 20 BBGD C[C@@H](CO)N(C)NC(=O)c1cc2n(n1)CCO2 823923208 PVTCLYNZXOZGCY-ZETCQYMHSA-N 240.263 -0.767 50 20 BBGD C=C[C@@](C)(O)C(=O)NNC(=O)N(C)C 824626773 CFALTKNAZOCLMW-MRVPVSSYSA-N 201.226 -0.774 50 20 BBGD COCCN(C)NC(=O)C(=O)c1cccn1C 848378097 IDAAEPXMXROLOZ-UHFFFAOYSA-N 239.275 -0.183 50 20 BBGD C=CCNC(=S)NNC(=O)[C@@H](O)C1CC1 854186234 UKJLXXUYLGILLP-ZETCQYMHSA-N 229.305 -0.561 50 20 BBGD CCO[C@H](C(=O)NN(C)C(N)=O)C1CC1 860517031 WHLKXRRGRONFIW-ZETCQYMHSA-N 215.253 -0.157 50 20 BBGD COCC#CCOc1ccc(B(O)O)cc1 865373104 GBNJSLOBROWULR-UHFFFAOYSA-N 220.033 -0.605 50 20 BBGD C[C@H](C(=O)NNC(=O)c1ccc[nH]1)N(C)C 873834133 LHMPRINGXJGULD-SSDOTTSWSA-N 224.264 -0.274 50 20 BBGD CC(C)CNC(=S)NNC(=O)c1ncon1 899575921 XMFUBKNTLOJHFZ-UHFFFAOYSA-N 243.292 -0.166 50 20 BBGD CN(NC(=O)CCc1ncc[nH]1)C(N)=O 1116951571 BKVGCOWTCBYLCJ-UHFFFAOYSA-N 211.225 -0.616 50 20 BBGD O=C1CC[C@@H](C(=O)NNC(=O)c2ccc[nH]2)N1 1118915784 NPQDUVGJCCXFOC-ZETCQYMHSA-N 236.231 -0.946 50 20 BBGD CC(=O)NNC(=O)[C@H](C)c1cnccn1 1119621386 SXVLQYZPYRZTKD-ZCFIWIBFSA-N 208.221 -0.253 50 20 BBGD CC(=O)N[C@H](C)C(=O)NNC(=O)C1CC1 1317667039 CXMATMICPULREA-RXMQYKEDSA-N 213.237 -0.932 50 20 BBGD C[C@@H](C(=O)NNC(=O)C1CCC1)S(C)(=O)=O 1318449656 CKXFOJVZAYOHRT-LURJTMIESA-N 248.304 -0.633 50 20 BBGD COC(=O)C(=O)NNC(=O)NC[C@H](C)C1CC1 1319298597 DRJOJMFRJFJQJW-LURJTMIESA-N 243.263 -0.464 50 20 BBGD COC[C@H](OC)C(=O)NNC(=S)NC(C)C 1328614265 CVJPMZCHBKPAAO-ZETCQYMHSA-N 249.336 -0.449 50 20 BBGD COCn1ccc(C(=O)NNC(=O)OC)n1 1331033291 HYLXKIYAVPRABA-UHFFFAOYSA-N 228.208 -0.512 50 20 BBGD C[C@@H]1CN2CCN1C[C@H]2C(=O)NN(C)C1CC1 1347193865 HDPAEAHKFGJGEC-KOLCDFICSA-N 238.335 -0.500 50 20 BBGD CNCCC(=O)NNC(=O)[C@@H]1CCO[C@H]1C 1574078914 KMENODPLIGZYJN-JGVFFNPUSA-N 229.280 -0.832 50 20 BBGD CCOC(=O)NNC(=O)[C@H]1CC[C@H]1C(=O)O 1590884160 MXTBGBXBVNXKFM-NTSWFWBYSA-N 230.220 -0.126 50 20 BBGD CCCCNC(=S)NNC(=O)C(=O)O 1609970576 LELGGZKHDUSAGK-UHFFFAOYSA-N 219.266 -0.634 50 20 BBGD COC(=O)c1cc(C=NNC(N)=O)cn1C 12369363 VBENUCQVJOQNIZ-UHFFFAOYSA-N 224.220 -0.186 50 20 BBGD CCNC(=O)NNC(=O)[C@@H]1OCC[C@H]1C 98095342 WORBVNHTFGSDAZ-RNFRBKRXSA-N 215.253 -0.238 50 20 BBGD in-vitro CN(C)C(=O)CNC(=O)NNC(=O)C(C)(C)C 127340931 ZRIBIQACIURUGF-UHFFFAOYSA-N 244.295 -0.549 50 20 BBGD COC(=O)c1ccc(C=NNC(=O)C(N)=O)cc1 254798242 NLGYRUBVTZAXTI-UHFFFAOYSA-N 249.226 -0.591 50 20 BBGD C[C@@H]1CN(S(=O)(=O)CCl)C[C@H]1O 306629022 CABPKLOWGFUJCV-PHDIDXHHSA-N 213.686 -0.175 50 20 BBGD COC(=O)NNC(=O)[C@@H]1CCC[C@@H](C(N)=O)C1 492200586 ISMRGXRWSGCCRX-RNFRBKRXSA-N 243.263 -0.335 50 20 BBGD CC[C@@H](OC)C(=O)Nc1cccc(B(O)O)c1 584911792 YVBFTIMDPGYGAK-SNVBAGLBSA-N 237.064 -0.270 50 20 BBGD CC1(C)[C@H](O)C[C@H]1NCc1ccc(B(O)O)cc1 585036042 CLKAEICIZYBVHF-VXGBXAGGSA-N 249.119 -0.385 50 20 BBGD CC(C)(C(=O)NCB(O)O)[C@H]1CCCCO1 585068256 ZDZRTADZZLMXGY-MRVPVSSYSA-N 229.085 -0.290 50 20 BBGD CCOCCC(=O)NNC(=O)NCCCOC 728190066 AVCJPTBKLORHGQ-UHFFFAOYSA-N 247.295 -0.220 50 20 BBGD CC(C)(C)OC(=O)NNC(=O)C1(C(N)=O)CC1 731596066 QEOWYQGJXPONHQ-UHFFFAOYSA-N 243.263 -0.192 50 20 BBGD CC[C@H](C)NC(=S)NNC(=O)COC 761839018 RAUSAOMHSIUNTC-LURJTMIESA-N 219.310 -0.073 50 20 BBGD Cc1ncc(C(=O)NNC(=O)C(C)(C)O)[nH]1 768256576 TYFMREYSKUNGIN-UHFFFAOYSA-N 226.236 -0.750 50 20 BBGD CN(NC(=O)CCCNC(=O)C1CC1)C(N)=O 770438476 YZINAJWRFYCUSH-UHFFFAOYSA-N 242.279 -0.666 50 20 BBGD O=C(NNC(=O)c1ccccn1)c1ccnnc1 771826933 PMRIMTNNALBWPY-UHFFFAOYSA-N 243.226 -0.054 50 20 BBGD CN(C)CC(=O)NNC(=O)CCCC#N 812496255 GOXOHFPKPODFOL-UHFFFAOYSA-N 212.253 -0.611 50 20 BBGD CC(C)C(=O)N[C@@H](CO)C(=O)NN(C)C1CC1 819652245 HXJZRVSJRLKLKR-VIFPVBQESA-N 243.307 -0.755 50 20 BBGD CCN(CCO)NC(=O)c1cc2ncccn2n1 823884927 OYUGZVBVRCIKSD-UHFFFAOYSA-N 249.274 -0.312 50 20 BBGD CCN(CCO)NC(=O)c1cnc2cccnn12 823889218 MTFXXZDMXHUIOM-UHFFFAOYSA-N 249.274 -0.312 50 20 BBGD O=C(NNC(=O)[C@@H]1[C@H]2CCC[C@H]21)c1ncon1 832825816 IFVZEMKUSJGPRL-ZMONIFLSSA-N 236.231 -0.123 50 20 BBGD C[C@H](CC(=O)NN(C)C(N)=O)n1ccnc1 845905456 CXINMKBXHCOYCH-SSDOTTSWSA-N 225.252 -0.124 50 20 BBGD O=C(NNC(=O)C1CCC1)c1cc(O)ncn1 859328480 QJGMCWOHRNVFGX-UHFFFAOYSA-N 236.231 -0.257 50 20 BBGD COC(=O)C[C@H](O)CNS(=O)(=O)CCl 859343683 DIURKDGFLRPEAN-YFKPBYRVSA-N 245.684 -0.974 50 20 BBGD CC(C)(O)C(=O)NNC(=O)c1cccnn1 861205360 BQFGMDQKTWUPOR-UHFFFAOYSA-N 224.220 -0.992 50 20 BBGD NC(=O)C(=O)NN=Cc1ccc2c(c1)CCO2 917531719 BQUQNTPWRYGUFG-UHFFFAOYSA-N 233.227 -0.443 50 20 BBGD CC(=O)NNC(=O)[C@@](C)(NC(C)=O)C(C)C 929182976 MJNZFPWIMVSCHI-JTQLQIEISA-N 229.280 -0.296 50 20 BBGD C[C@@H](OC1CCCCC1)C(=O)NNC(=O)CO 1116554491 UKMKNIGBQSQYJO-MRVPVSSYSA-N 244.291 -0.136 50 20 BBGD CC(C)C(=O)NNC(=O)c1cnn(CCO)c1 1123474737 BRFUYCVAPADQMH-UHFFFAOYSA-N 240.263 -0.708 50 20 BBGD Cn1cc(C=NNC(=O)c2cnccn2)nn1 1319491652 WEUPMIGEPCSPOU-UHFFFAOYSA-N 231.219 -0.631 50 20 BBGD COC(=O)c1ccc(C(=O)NNC(C)=O)o1 1330504656 PTAQVGZJPUJIBU-UHFFFAOYSA-N 226.188 -0.153 50 20 BBGD CC(F)(F)C(=O)NNC(=O)[C@H]1CCC(=O)N1 1331691085 LPNJSKUGXMJFCL-SCSAIBSYSA-N 235.190 -0.932 50 20 BBGD CCN(CCO)NC(=O)c1cnn2ccncc12 1352228184 AIOOYUMFEXUTOC-UHFFFAOYSA-N 249.274 -0.312 50 20 BBGD C=CCNC(=S)NNC(=O)[C@H]1CCC[C@H]1N 1574944284 ZKIZRTASPCDKMH-JGVFFNPUSA-N 242.348 -0.205 50 20 BBGD COc1cccc(C=NNC(=O)C(=O)O)c1O 1610355829 SELNEZVLVLRAPB-UHFFFAOYSA-N 238.199 -0.065 50 20 BBGD CNC(=O)NNC(=O)CCc1cnn(C)c1 56377320 YKYMJOIXPIGDPY-UHFFFAOYSA-N 225.252 -0.687 50 20 BBGD CC[C@H](C)[C@H](NC(C)=O)C(=O)NNC(=O)NC 285202719 VEMOQGGVMRDPIR-XPUUQOCRSA-N 244.295 -0.503 50 20 BBGD COC(=O)[C@H]1CC[C@@H]1C(=O)NN(C)C(N)=O 285912414 VZINQPBKPVLRIO-WDSKDSINSA-N 229.236 -0.773 50 20 BBGD COC(=O)NNC(=O)Nc1ccnnc1OC 288858707 JECLYIVYCBQBMB-UHFFFAOYSA-N 241.207 -0.122 50 20 BBGD CNC(=O)NNC(=O)[C@H]1CCSC1 307248657 AVHVMMAIYRJQIG-YFKPBYRVSA-N 203.267 -0.300 50 20 BBGD COC(=O)N1CC(NC(=O)CCl)C1 308452450 DYKSDXCJZIAWBP-UHFFFAOYSA-N 206.629 -0.208 50 20 BBGD O=C(CO)NN=Cc1ccc(O)cc1O 379659665 CCYZPJLCXAHPKA-UHFFFAOYSA-N 210.189 -0.460 50 20 BBGD CCOC(=O)NNC(=O)[C@H](C)CC(=O)OC 493377499 SRSBCNIDUUTLTI-ZCFIWIBFSA-N 232.236 -0.037 50 20 BBGD Cc1ccc(O)c(C(=O)NCB(O)O)c1 585062944 QBWFKCOMOHLAOY-UHFFFAOYSA-N 209.010 -0.558 50 20 BBGD CNC(=O)NNC(=S)NC[C@H]1CCCCO1 758215470 NNDCDTYGYPUBCS-SSDOTTSWSA-N 246.336 -0.136 50 20 BBGD CN1CCC(=NNC(=O)NCC2CC2)C1=O 761798789 CAIMYHIJKSNVGX-UHFFFAOYSA-N 224.264 -0.086 50 20 BBGD CC[C@@H](CO)C(=O)NNC(=O)c1ccccn1 779576735 VTJMIJVQQNANLS-QMMMGPOBSA-N 237.259 -0.139 50 20 BBGD CC(C)C(=O)NNC(=O)N[C@@H](C)C[S@](C)=O 784528819 BMVJEDDVWACTJK-GYKQLYQFSA-N 249.336 -0.260 50 20 BBGD NC(=O)C(=O)NN=C1COc2ccccc21 814695842 SUJBUAFVKYBXQX-UHFFFAOYSA-N 219.200 -0.615 50 20 BBGD O=S(=O)(CBr)N[C@@H]1CCNC1 850583004 XHSQMYCFIRCYOL-RXMQYKEDSA-N 243.126 -0.380 50 20 BBGD O=C(CC1CC1)NNC(=O)[C@@H]1CCOC(=O)N1 861842834 VEQSZMPUEVFDJK-ZETCQYMHSA-N 241.247 -0.568 50 20 BBGD O=C(NNC(=O)C1CSC1)c1ccnnc1 868930833 SAMHZESYJWXXQE-UHFFFAOYSA-N 238.272 -0.399 50 20 BBGD NC(=O)[C@@H]1CC[C@H]1C(=O)NNc1cccnn1 1327097723 QQIMDIKTQBEXGL-RNFRBKRXSA-N 235.247 -0.569 50 20 BBGD O=Cc1c[nH]c(C(=O)N2CC[C@@H](B(O)O)C2)c1 1330940096 DKZDILTUBNTHLW-MRVPVSSYSA-N 236.036 -0.484 50 20 BBGD COC(=O)NNS(=O)(=O)N1CCCC1 491879300 WQROMWKNKIZIHF-UHFFFAOYSA-N 223.254 -0.812 50 20 BBGD COC(=O)N(C)NC(=O)CNC(=O)C1CC1 496141982 MPNJFCQYAFSVIA-UHFFFAOYSA-N 229.236 -0.758 50 20 BBGD CC[C@@](C)(CO)NCc1ccc(B(O)O)cc1 585032606 JWTQJWDESZHGBR-LBPRGKRZSA-N 237.108 -0.383 50 20 BBGD CCOc1cccc(C(=O)NCB(O)O)c1 585060777 JVIMRVUAXLMJBL-UHFFFAOYSA-N 223.037 -0.173 50 20 BBGD CNC(=O)NNC(=O)[C@]1(C)CCOC1 755141580 JBTMUSPYYYNSKZ-MRVPVSSYSA-N 201.226 -0.627 50 20 BBGD CCOCC1(C(=O)NNC(=O)C(C)(C)O)CC1 799725957 LNPZNIDKJGNIEB-UHFFFAOYSA-N 244.291 -0.279 50 20 BBGD CN(C)c1ncc(C=NNC(N)=O)cn1 814686496 JJKAMBMYEVRZAJ-UHFFFAOYSA-N 208.225 -0.455 50 20 BBGD O=C(NNC(=O)[C@@H]1CCCO1)c1cn[nH]c1 817062345 CAELCQCYBGYWEA-ZETCQYMHSA-N 224.220 -0.650 50 20 BBGD CCN1CCO[C@H](C(=O)NN(C)C2CC2)C1 819648845 UVOGYRNATUBJOZ-JTQLQIEISA-N 227.308 -0.168 50 20 BBGD CC(C)(C)C(=O)NNC(=O)[C@@H](O)C1CC1 822245079 QTASSQLSMXLJPD-ZETCQYMHSA-N 214.265 -0.049 50 20 BBGD CCNC(=O)N(C)NC(=O)[C@H]1CCCN1C=O 831858392 OSLDREKFZOIIIG-MRVPVSSYSA-N 242.279 -0.700 50 20 BBGD CCC(=O)NNC(=O)Nc1ccn(C)c(=O)c1 879779932 IUMLPRSORWEYLL-UHFFFAOYSA-N 238.247 -0.052 50 20 BBGD COC(=O)NNC(=O)[C@@H]1[C@@H]2CCC(=O)[C@H]21 891772399 NATCDYZGGWDDON-PRMYIZFSSA-N 212.205 -0.401 50 20 BBGD Cc1nn(C)cc1CC(=O)NN(C)C[C@@H](C)O 910150781 WBUBOIMZNXLFCY-MRVPVSSYSA-N 240.307 -0.385 50 20 BBGD C[C@@H](O)CN(C)NC(=O)c1ncccn1 910169105 WZSYZAGDAMBITM-SSDOTTSWSA-N 210.237 -0.566 50 20 BBGD Cc1cccnc1C=NNC(=O)C(N)=O 1116523210 QVPNAIDSDXXKTH-UHFFFAOYSA-N 206.205 -0.675 50 20 BBGD C[C@H](C#N)C(=O)NNC(=O)c1cnn(C)c1 1318856791 SDAGANQNMONJQU-ZCFIWIBFSA-N 221.220 -0.659 50 20 BBGD COC(=O)NNC(=O)[C@@H](C)CS(C)(=O)=O 1325555467 VBIMTVWJHCGOHJ-YFKPBYRVSA-N 238.265 -0.946 50 20 BBGD Cn1ccc(CC(=O)N2CC[C@@H](B(O)O)C2)n1 1335432884 OIAVSRCXBWWCOZ-MRVPVSSYSA-N 237.068 -0.962 50 20 BBGD CNC(=O)NNC(=O)c1ccn(C(F)F)n1 1337240310 UNCDOQLBPLHJLF-UHFFFAOYSA-N 233.178 -0.148 50 20 BBGD COC(=O)N(C)NC(=O)c1cnn(CCO)c1 1352179791 WZIGWZDWCKNBGN-UHFFFAOYSA-N 242.235 -0.782 50 20 BBGD O=C(O)c1cc(C(=O)NN=c2cc[nH]cc2)[nH]n1 1594782169 QHAOMKFTIWWGMO-UHFFFAOYSA-N 247.214 -0.318 50 20 BBGD Cc1nccn1-c1ccc(B(O)O)s1 238499727 KNOJVYHWVJRNFA-UHFFFAOYSA-N 208.051 -0.078 50 20 BBGD C[C@@H](O)CCCNCc1cccc(B(O)O)c1 585039816 YVTFZNDPVVURIF-SNVBAGLBSA-N 237.108 -0.383 50 20 BBGD CC(CCO)=NNC(=O)C(=O)NC1CC1 749857476 ANPIKGZXYLVQJS-UHFFFAOYSA-N 213.237 -0.861 50 20 BBGD COCCN(C)NC(=O)CCn1cncn1 808074653 HFLTUWRCSNDPNP-UHFFFAOYSA-N 227.268 -0.722 50 20 BBGD CNC[C@H](C)NS(=O)(=O)CBr 850594589 SFKZUZLFTLCCOP-YFKPBYRVSA-N 245.142 -0.134 50 20 BBGD CC(C)C(=O)NNC(=O)c1nc2ncccn2n1 854213547 ISSLXUWVHXUQIS-UHFFFAOYSA-N 248.246 -0.459 50 20 BBGD COC[C@H](OC)C(=O)NNc1ncncc1F 854608753 FEWJBCSUDVZQIM-ZETCQYMHSA-N 244.226 -0.280 50 20 BBGD O=C(CC1CC1)NNC(=O)c1ncc[nH]1 854667147 GVMMOTHLBNDZEW-UHFFFAOYSA-N 208.221 -0.029 50 20 BBGD CNC(=S)N(C)NC(=O)Cn1cccn1 854927019 UEPBYEPNVGEFFI-UHFFFAOYSA-N 227.293 -0.650 50 20 BBGD C[C@H](NC(=S)NNC(=O)CO)C1CC1 855099413 YKCGHULCUHISCR-YFKPBYRVSA-N 217.294 -0.728 50 20 BBGD CN(C)CC(=O)NNC(=O)CN(C)C1CCC1 863864767 URMLTCIIJQSWJY-UHFFFAOYSA-N 242.323 -0.820 50 20 BBGD O=C(NNC(=O)[C@@H]1[C@H]2CCC(=O)[C@@H]21)NC1CC1 906417860 WZBLDMNEGLMONA-NBEYISGCSA-N 237.259 -0.296 50 20 BBGD C[C@H](CO)N(C)NC(=O)[C@@H]1[C@@H]2CCC(=O)[C@H]21 911445448 VLOZVRKVTWKNPZ-GTDKDYCYSA-N 226.276 -0.445 50 20 BBGD O=C(c1cnc(C2CC2)[nH]1)N1CC[C@H](B(O)O)C1 1118916062 JUCHAPXOMZNZOA-QMMMGPOBSA-N 249.079 -0.024 50 20 BBGD O=C(NN=c1cc[nH]cc1)c1cccc[n+]1[O-] 1320053231 LZHSWIIKTBGNTE-UHFFFAOYSA-N 230.227 -0.106 50 20 BBGD Cn1nncc1NNC(=O)CCc1cn[nH]c1 1329216592 LOFHNCXEANCYGN-UHFFFAOYSA-N 235.251 -0.386 50 20 BBGD Cc1nccnc1C(=O)N1CC[C@@H](B(O)O)C1 1331826298 JKULHAWVWWYMCX-MRVPVSSYSA-N 235.052 -0.526 50 20 BBGD CC(C)C(=O)NNC(=O)[C@@H]1CCCCN1 1574067867 JWEOPTNMVYCADW-QMMMGPOBSA-N 213.281 -0.068 50 20 BBGD O=C(NCCCC(F)F)NNC(=O)C(=O)O 1601494402 ASSSNUWZNKJVPO-UHFFFAOYSA-N 239.178 -0.553 50 20 BBGD O=C(NNC(=O)C(=O)O)N[C@H]1CCC[C@@H](F)C1 1608477178 GFYKEKYAPRVHEL-RITPCOANSA-N 247.226 -0.318 50 20 BBGD NNC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 70154818 CSVARRAWRLRMAE-UHFFFAOYSA-N 235.203 -0.066 50 20 BBGD COC(=O)[C@@H]1C[C@@H]1C(=O)NNC(=O)C1CC1 263830639 AUNRLKVGXHLKST-NKWVEPMBSA-N 226.232 -0.647 50 20 BBGD CCNC(=O)N(C)NC(=O)CN(C)C 272708018 WQQMLDTZDVMOPS-UHFFFAOYSA-N 202.258 -0.760 50 20 BBGD CCN1C[C@@H](C(=O)NNC(C)=O)CC1=O 299227245 PDZVUPPVSSABPB-ZETCQYMHSA-N 213.237 -0.978 50 20 BBGD CCOCCCCNCc1ccc(B(O)O)o1 585017094 LHPLNFJZOJPARR-UHFFFAOYSA-N 241.096 -0.134 50 20 BBGD OB(O)c1cccc(CNC[C@@H](O)C(F)F)c1 585038855 JCPAMAVYACIHBY-SECBINFHSA-N 245.034 -0.918 50 20 BBGD CC(C)NC(=O)CNC(=S)NNC(=O)O 736476124 CPALQFXCWMMCJO-UHFFFAOYSA-N 234.281 -0.842 50 20 BBGD N#Cc1cccc(NNC(=O)Cn2cnnn2)c1 748044542 SMHRGMNXELOOSE-UHFFFAOYSA-N 243.230 -0.312 50 20 BBGD CCC(=O)N[C@H](C)C(=O)NNC(=O)OC 765853868 WGVIANIGPHKJJB-RXMQYKEDSA-N 217.225 -0.712 50 20 BBGD COCCN(C)NC(=O)[C@@H]1CCN(C)C(=O)C1 808074688 ISGSIYNFJDQMEV-SECBINFHSA-N 243.307 -0.536 50 20 BBGD C=C(C)C(C)(C)C(=O)NNC(=O)CO 819927007 YFEQAYDEVXVGEZ-UHFFFAOYSA-N 200.238 -0.272 50 20 BBGD CCCn1cc(C(=O)NN(C)[C@H](C)CO)nn1 823939170 GTLLZEWOGUTTAS-MRVPVSSYSA-N 241.295 -0.355 50 20 BBGD C[C@@H](CO)N(C)NC(=O)[C@@H]1C[C@H]2CC[C@H]1O2 823960127 WKBRLHBTCGKDCR-SGIHWFKDSA-N 228.292 -0.102 50 20 BBGD C[C@H](CO)N(C)NC(=O)c1ccc(C#N)cn1 823960229 XWOSDYHWUPSSDA-MRVPVSSYSA-N 234.259 -0.089 50 20 BBGD CCN1CCO[C@H](C(=O)NN(C)CCOC)C1 837622527 BEHLWUQVQYVVMA-JTQLQIEISA-N 245.323 -0.684 50 20 BBGD CCCN(C)C(=O)N1CC[C@H](B(O)O)C1 864232268 YPQQYAVXYBHMRP-QMMMGPOBSA-N 214.074 -0.003 50 20 BBGD O=C(N[C@H]1CCC[C@@H]1O)c1ccc(B(O)O)cc1 871114368 YBMCFWJRWUVMJZ-QWRGUYRKSA-N 249.075 -0.990 50 20 BBGD O=C1CC[C@H](C(=O)NNc2ncccn2)CN1 1317966468 KXYYEYHDLSLUON-ZETCQYMHSA-N 235.247 -0.554 50 20 BBGD NC(=O)c1ccc(C(=O)NNC(=O)C2CC2)cn1 1318027312 ZCEFFRQXNLGMOJ-UHFFFAOYSA-N 248.242 -0.649 50 20 BBGD Cc1nn[nH]c1C(=O)NNC(=O)C(C)C 1321008605 ZIWXQYGZBBIFEZ-UHFFFAOYSA-N 211.225 -0.470 50 20 BBGD C#CCn1ccnc1C=NNC(=O)CCO 1323388977 BVKFZURSISNPHV-UHFFFAOYSA-N 220.232 -0.651 50 20 BBGD Cn1ccc(CC(=O)NNC(=O)C2CC2)n1 1326355762 VTVKBRFIWPXEDW-UHFFFAOYSA-N 222.248 -0.480 50 20 BBGD CCO/C=C(/C#N)C(=O)N[C@@H]1CCOC[C@H]1O 1330932815 FPMMYUKHTAVUSB-WMDQRADGSA-N 240.259 -0.304 50 20 BBGD COCCCC(=O)N1CC[C@H](B(O)O)C1 1351730334 WRJDAWITMXXECB-QMMMGPOBSA-N 215.058 -0.512 50 20 BBGD CCN(CCO)NC(=O)CCCC(=O)O 1605450242 UXHJXWVNUGTWBW-UHFFFAOYSA-N 218.253 -0.413 50 20 BBGD O=C(O)c1cc(C(=O)NNc2ncccn2)[nH]n1 1605820910 LGOIFFDXGDLHBT-UHFFFAOYSA-N 248.202 -0.345 50 20 BBGD O=C(O)CC(=O)NNC(=O)[C@H]1CCCCO1 1608664573 YWGVYGSYHCDBAJ-ZCFIWIBFSA-N 230.220 -0.822 50 20 BBGD O=C(NCCN1C(=O)CCC1=O)[C@H](F)Cl 2088605112 KUNUQMAPYZEUJA-ZETCQYMHSA-N 236.630 -0.214 50 20 BBGD NC(=O)[C@@H]1CCCN(S(=O)(=O)CCl)C1 82512259 VSQMDDHPJQQGKS-ZCFIWIBFSA-N 240.712 -0.290 50 20 BBGD CCO[C@@H]1C[C@@](N)(C(=O)NN)C1(C)C 162532672 ZCCIHRLVBWRQIW-HZGVNTEJSA-N 201.270 -0.491 50 20 BBGD O=C1CC[C@H](C(=O)NNC(=O)c2ccccc2)N1 264439590 YHIACUQMMFWTCG-SECBINFHSA-N 247.254 -0.274 50 20 BBGD O=C(NCB(O)O)c1cccc(-n2cccn2)c1 585062925 XKVAXRUDZUGDFL-UHFFFAOYSA-N 245.047 -0.386 50 20 BBGD Cn1cnc([N+](=O)[O-])c1N1CC[C@H](B(O)O)C1 585074469 ZCUHTRRTJWAUSH-LURJTMIESA-N 240.028 -0.619 50 20 BBGD Cn1nnc2cc(C=NNC(N)=O)ccc21 737416268 OJJSTKDBCYWEGY-UHFFFAOYSA-N 218.220 -0.030 50 20 BBGD CCNC(=O)N(C)NC(=O)CNC(=O)C1CC1 780709866 PMOVOSUWCHOUAO-UHFFFAOYSA-N 242.279 -0.795 50 20 BBGD CC(C)C(=O)NNC(=O)Cc1ccn(C)n1 782548010 AZWYIJBYPFFZJW-UHFFFAOYSA-N 224.264 -0.234 50 20 BBGD CO[C@@H](C)C(=O)NNC(=O)N=c1cc[nH]cc1 802027045 OKILZYOSRNILIV-ZETCQYMHSA-N 238.247 -0.309 50 20 BBGD CCN(CCO)NC(=O)/C=C\[C@@H]1CCOC1 823889521 ZQEWRUZQNTVDKT-UMBAGQNISA-N 228.292 -0.076 50 20 BBGD O=C(NN=c1cc[nH]cc1)[C@@H](O)C1CC1 831867393 BYTSOWAHEBFWFA-VIFPVBQESA-N 207.233 -0.283 50 20 BBGD Cc1cccc(C(=O)NNC(=O)[C@H](O)C2CC2)n1 834814846 DQXQUFOALLOCMU-SNVBAGLBSA-N 249.270 -0.078 50 20 BBGD CC[C@H](N)CNS(=O)(=O)CBr 850587819 KZSMEIVTGYWPPZ-YFKPBYRVSA-N 245.142 -0.005 50 20 BBGD CN(NC(=O)[C@H]1[C@H]2C(=O)CC[C@H]21)C(N)=O 907187195 OBVUGCYAWRJLRH-QPPQHZFASA-N 211.221 -0.747 50 20 BBGD CCCCNC(=O)NNC(=O)[C@@H](C)NC(C)=O 920765054 NBDPVAGPZKSGPG-SSDOTTSWSA-N 244.295 -0.359 50 20 BBGD COC(=O)N(C)NC(=O)[C@@H](C)S(C)(=O)=O 1117157193 GYSAYCAOBFIPRL-RXMQYKEDSA-N 238.265 -0.851 50 20 BBGD COCCN(C)NC(=O)c1cnn2ccncc12 1330430352 GWHANDGSNMOHTN-UHFFFAOYSA-N 249.274 -0.048 50 20 BBGD CCn1cc(S(=O)(=O)NNC(C)=O)cn1 1342932136 PDHFXZBPMCBZEO-UHFFFAOYSA-N 232.265 -0.768 50 20 BBGD C=CCNC(=S)NNC(=O)[C@H]1NCC1(C)C 1573310187 HMWAUOPGFNRHSN-SSDOTTSWSA-N 242.348 -0.334 50 20 BBGD COCCN(C)NC(=O)[C@H](C(=O)O)C(C)C 1593995646 LITHHWLCMNKQQJ-MRVPVSSYSA-N 232.280 -0.047 50 20 BBGD CN(NC(=O)c1ccc(C#N)c(O)c1)C(N)=O 188748006 KRVAFQXZMFMYRX-UHFFFAOYSA-N 234.215 -0.081 50 20 BBGD O=C1CCCC[C@@H](C(=O)NNC(=O)C2CC2)N1 278972748 NSRJBPVHQBRMRP-QMMMGPOBSA-N 239.275 -0.397 50 20 BBGD CC[C@@H](CNCc1ccc(B(O)O)o1)OC 585041941 XLPTUTSUBYKYCN-QMMMGPOBSA-N 227.069 -0.526 50 20 BBGD OB(O)c1ccc(CNCC2COC2)c(F)c1 585048641 BHPGZDNXZZSFLF-UHFFFAOYSA-N 239.055 -0.759 50 20 BBGD CC(C)(C)C(=O)NNC(=O)[C@@H]1CCNC(=O)C1 760381241 FMZMKIOLUVKVBN-SSDOTTSWSA-N 241.291 -0.294 50 20 BBGD CCNC(=O)N(C)NC(=O)C1(C(N)=O)CCC1 768413359 QIKCQRAQCCOXLB-UHFFFAOYSA-N 242.279 -0.666 50 20 BBGD COCCOCC(=O)NN(C)C1CC1 819648203 XRPRMYCBJNXTFY-UHFFFAOYSA-N 202.254 -0.225 50 20 BBGD C[C@H](CO)N(C)NC(=O)c1ccc(C#N)[nH]1 823939996 SSHOKEWPDWOSFP-SSDOTTSWSA-N 222.248 -0.156 50 20 BBGD C=C[C@H](CO)N[C@@H](C)C(=O)NNC(=O)CC 852714427 OYGBWTRKUIOCJA-JGVFFNPUSA-N 229.280 -0.931 50 20 BBGD CNC(=O)NCC(=O)NN[C@H](C)C(F)(F)F 862315022 OTGNAPPSQXSGDY-SCSAIBSYSA-N 242.201 -0.513 50 20 BBGD O=C(CCC1CC1)NNC(=O)[C@@H]1CCC(=O)N1 862454057 BVXSJMVICXPVRO-QMMMGPOBSA-N 239.275 -0.397 50 20 BBGD CCN(CC(C)=O)C(=O)c1ccc(B(O)O)cc1 908394109 VYFGIUKUEAIRRH-UHFFFAOYSA-N 249.075 -0.583 50 20 BBGD COc1cccc(C=NNC(=O)C(N)=O)n1 1255675133 GTDSMVTYUONTRE-UHFFFAOYSA-N 222.204 -0.974 50 20 BBGD CC(C)(C)c1ncc(C=NNC(=O)C(N)=O)cn1 1261235287 NSBHIHYLPFEKIK-UHFFFAOYSA-N 249.274 -0.291 50 20 BBGD O=C(CCn1ccnn1)NNC(=O)NC1CC1 1320936731 CZDQRMFQNBYHME-UHFFFAOYSA-N 238.251 -0.839 50 20 BBGD CC(C)NC(=O)NNC(=O)C(=O)NCC1CC1 1321782491 QKCLNDSYJLCPLS-UHFFFAOYSA-N 242.279 -0.749 50 20 BBGD COC(=O)C(=O)NN=C(C)[C@@H]1CCCO1 1323706071 PJKHTQMWHPIKTG-ZETCQYMHSA-N 214.221 -0.170 50 20 BBGD CCNC(=O)NNC(=O)c1ncc(OC)cn1 1324488029 JFEDYXXUCJHUQY-UHFFFAOYSA-N 239.235 -0.551 50 20 BBGD CNC(=O)NNC(=O)c1ncc(C#N)cc1C 1324489577 PTWOTYQXKIVQKL-UHFFFAOYSA-N 233.231 -0.165 50 20 BBGD Cc1c[nH]nc1C=NNC(=O)[C@H]1CCC(=O)N1 1329112173 XQBBFEKZXMSQBI-SSDOTTSWSA-N 235.247 -0.553 50 20 BBGD CNCCC(=O)NNc1nncc(N)c1Cl 1329513574 FLVGSRYBUJRMPI-UHFFFAOYSA-N 244.686 -0.235 50 20 BBGD Cc1cc(CC(=O)NN=Cc2cn(C)nn2)n[nH]1 1335768636 PFUSZAINQIRNSJ-UHFFFAOYSA-N 247.262 -0.461 50 20 BBGD C[C@@H](CO)N(C)NC(=O)C1CCC(O)CC1 1336010919 MAWNYSHCKHRXPN-IDKOKCKLSA-N 230.308 -0.119 50 20 BBGD C=CCNC(=S)NNC(=O)c1cn(C)cn1 1339804934 ZRBCMYDMQCUMAN-UHFFFAOYSA-N 239.304 -0.285 50 20 BBGD CNC(=O)NNC(=O)[C@H]1CCCCO1 153448692 QIXBWFQOGMKORC-ZCFIWIBFSA-N 201.226 -0.484 50 20 BBGD Cn1cnc(C(=O)NNC(=O)c2ccncc2)c1 179316074 WXMPUVOQXRJLLG-UHFFFAOYSA-N 245.242 -0.110 50 20 BBGD Cc1cnccc1NC(=O)NNC(=O)CO 183446310 BOQOKKIBDCCBCT-UHFFFAOYSA-N 224.220 -0.465 50 20 BBGD CNC(=O)NNC(=O)/C=C/c1ccc[nH]1 491972488 KPZPYLITYZOJIC-SNAWJCMRSA-N 208.221 -0.012 50 20 BBGD C[C@H](O)C[C@H](C)NCc1ccc(B(O)O)cc1 585035091 OYWRXZFJYSRJBT-UWVGGRQHSA-N 237.108 -0.385 50 20 BBGD OB(O)c1ccc(CNC[C@H]2CC[C@@H](O)C2)cc1 585037614 DPPSTAOVVQNLPZ-WCQYABFASA-N 249.119 -0.383 50 20 BBGD C[C@H](C(=O)NNC(=O)C1CCC1)n1cncn1 732141887 OCXJFELKANMDAZ-SSDOTTSWSA-N 237.263 -0.213 50 20 BBGD CCCNC(=O)NNC(=O)COCCOC 733138836 HUOFWPFPKSRXCP-UHFFFAOYSA-N 233.268 -0.610 50 20 BBGD CCOCCNC(=S)NNC(=O)NC1CC1 751004436 SZXYCPPEKQVJDG-UHFFFAOYSA-N 246.336 -0.136 50 20 BBGD Cc1n[nH]cc1C(=O)NNC(=O)[C@H](O)C(C)C 796247463 NMQBBJJBSNUXHV-MRVPVSSYSA-N 240.263 -0.504 50 20 BBGD CN(CC(=O)NNC(=O)C1CC1)C1(CO)CC1 796501023 LYMHWFQIJTVERE-UHFFFAOYSA-N 241.291 -1.000 50 20 BBGD CC(C)(O)C(=O)NN=C1COCCOC1 814910087 QJWZZTYTMAJUBX-UHFFFAOYSA-N 216.237 -0.724 50 20 BBGD C=C[C@@](C)(O)C(=O)NNC(=O)C1CCC1 827215870 FYSHFAVIIGQOTC-SNVBAGLBSA-N 212.249 -0.129 50 20 BBGD CCNC(=O)N(C)NC(=O)[C@@H]1CCCN1 831945567 RYLPGAWVCMPCPT-ZETCQYMHSA-N 214.269 -0.569 50 20 BBGD CCC/C=C/C(=O)NNC(=O)[C@H]1CCC(=O)N1 862449683 IZPAHLWSGKSHPD-WTSVBCDHSA-N 239.275 -0.231 50 20 BBGD C#CCSCCNCc1ccccc1B(O)O 863888313 NXYVFOAASHIPAG-UHFFFAOYSA-N 249.144 -0.178 50 20 BBGD O=C(CO)NNC(=O)[C@@H]1[C@H]2Cc3ccccc3[C@H]21 863903257 ACUMEVAOROCQFG-MVWJERBFSA-N 246.266 -0.288 50 20 BBGD O=C(CC1CC1)NNC(=O)[C@@H]1CCCNC1=O 868589631 GNBMAEFSGMGNMD-MRVPVSSYSA-N 239.275 -0.540 50 20 BBGD C[C@@H](O)CN(C)NC(=O)c1ccc(C#N)cn1 910167141 ISBOZQWLJUUTHJ-MRVPVSSYSA-N 234.259 -0.089 50 20 BBGD CC(C)C(=O)NNC(=O)[C@H](C)n1cncn1 915261808 YUDNNONOUXMFHZ-ZETCQYMHSA-N 225.252 -0.358 50 20 BBGD C[C@H](CS(C)(=O)=O)NC=C(C#N)C#N 1116057932 QUWYQNFVPOAGFR-SSDOTTSWSA-N 213.262 -0.060 50 20 BBGD O=C(Cc1cc[nH]n1)NNC(=O)[C@@H]1C[C@@H]1F 1123650802 FDNMBUSHHQTBLX-RQJHMYQMSA-N 226.211 -0.542 50 20 BBGD COCCOCC(C)=NNC(=O)CCO 1318923030 HLTPJIGLWWDUOG-UHFFFAOYSA-N 218.253 -0.476 50 20 BBGD C[C@@H](O)CN(C)NC(=O)CCc1cn[nH]c1 1334202985 OCCMVQMLVMZZFS-MRVPVSSYSA-N 226.280 -0.314 50 20 BBGD COC(=O)N(C)NC(=O)N[C@H]1CCOC1=O 1346524511 RHTGRGCORKZWSM-YFKPBYRVSA-N 231.208 -0.786 50 20 BBGD C=C(CC)C(=O)NNC(=O)[C@H]1CCC(=O)N1 1348888469 VYZFAPCDUXOLDN-SSDOTTSWSA-N 225.248 -0.621 50 20 BBGD CC(=O)NNC(=O)Cn1c(C)c(C)sc1=O 57292243 KGOTWYDDMOTTOD-UHFFFAOYSA-N 243.288 -0.306 50 20 BBGD COCC(=O)NNc1nccnc1OC 132121192 PYLZWDWNJHCUMC-UHFFFAOYSA-N 212.209 -0.425 50 20 BBGD Cc1cccnc1C(=O)NNC(=O)C(C)(C)O 277169822 RMBAUMIVIGVJEG-UHFFFAOYSA-N 237.259 -0.078 50 20 BBGD COC(=O)COCC(=O)NNc1ccncc1 288784111 YKZKJZBNUVAAKG-UHFFFAOYSA-N 239.231 -0.286 50 20 BBGD COCCCNC(=O)/C(C#N)=C/c1cn(C)nn1 491108887 YTLKFGPSACPXPT-RMKNXTFCSA-N 249.274 -0.125 50 20 BBGD CCOC(=O)NNC(=O)[C@@H]1CN(C)CCO1 492866347 PKQOUGCRDCEAPN-ZETCQYMHSA-N 231.252 -0.906 50 20 BBGD COC(=O)NNC(=S)NC[C@H]1CCOC1 493784928 YPBQFWYEQQAHJS-ZCFIWIBFSA-N 233.293 -0.242 50 20 BBGD CCc1ncsc1C(=O)NCB(O)O 585062111 DCOHWFWYRBFSOB-UHFFFAOYSA-N 214.055 -0.553 50 20 BBGD CC(=O)NNC(=O)c1nccn2ccnc12 743286335 YCQCHRGUNQPXGL-UHFFFAOYSA-N 219.204 -0.490 50 20 BBGD COC[C@](C)(O)C(=O)NNC(=O)NCC1CC1 754988779 QOSQYCYSYXNAGH-JTQLQIEISA-N 245.279 -0.876 50 20 BBGD C[C@@H]1COC(=O)C1=NNC(=O)C(C)(C)O 794932891 KQALPNLSCLKQHT-RXMQYKEDSA-N 214.221 -0.578 50 20 BBGD C=C[C@H](O)C(=O)NNC(=O)c1ccc[nH]1 816824296 UZSQLJQDFKKSNO-ZETCQYMHSA-N 209.205 -0.677 50 20 BBGD CN(NC(=O)/C=C1/SCC(=O)N1C)C(N)=O 821459657 PKPMUFMNXCKLMM-XVNBXDOJSA-N 244.276 -0.925 50 20 BBGD C#CCO[C@@H](C)C(=O)NN(CC)CCO 823889349 STENDUUWNGOUBU-VIFPVBQESA-N 214.265 -0.630 50 20 BBGD Cc1ncc(C(=O)NN(C)[C@H](C)CO)[nH]1 823960018 UNALTBJCODZHKQ-ZCFIWIBFSA-N 212.253 -0.324 50 20 BBGD CCCONC(=O)NNC(=O)COCC 828268781 NBLGPCNUPXBUBE-UHFFFAOYSA-N 219.241 -0.305 50 20 BBGD CC1=NO[C@H](C(=O)NNC(=O)c2cc[nH]n2)C1 855356774 XXBCAKOWKKDDGX-ZETCQYMHSA-N 237.219 -0.665 50 20 BBGD COC1CC(C(=O)NNC(=O)c2cn[nH]c2)C1 862466833 MHRDLDXNJKUDKH-UHFFFAOYSA-N 238.247 -0.404 50 20 BBGD CC[C@H](OC)C(=O)NN(C)C[C@@H](C)O 910168011 LTBRMELOQPECHC-SFYZADRCSA-N 204.270 -0.245 50 20 BBGD CCC[C@H](O)C(=O)NNC(=O)N1CCOCC1 931114835 ZRIACSAJQVPYOU-QMMMGPOBSA-N 245.279 -0.780 50 20 BBGD COC(=O)C(=O)NN=Cc1nccs1 1117703930 KIPAJUBMKQSXPD-UHFFFAOYSA-N 213.218 -0.234 50 20 BBGD Cc1noc(C)c1C(=O)NN(C)C(N)=O 1319992495 VCYZNAPIWAWBCG-UHFFFAOYSA-N 212.209 -0.053 50 20 BBGD COCCn1ccc(C(=O)NNC(=O)OC)n1 1324356908 BQJYGDRXXHCBID-UHFFFAOYSA-N 242.235 -0.470 50 20 BBGD Nc1nccnc1C(=O)NNC(=O)NC1CC1 1328385787 FDIDEXRINJKCOV-UHFFFAOYSA-N 236.235 -0.835 50 20 BBGD CO[C@H](C)CC(=O)NNC(=O)C1CCOCC1 1330841401 NXVCZMBCXNOVDA-MRVPVSSYSA-N 244.291 -0.015 50 20 BBGD C[C@@H](O)CN(C)NC(=O)CCc1cnc[nH]1 1332629242 HWYUOBPSUVALQF-MRVPVSSYSA-N 226.280 -0.314 50 20 BBGD CCOc1cc(C(=O)NNC(=O)NC)[nH]n1 1333884027 GNJFIELGGCXUHP-UHFFFAOYSA-N 227.224 -0.618 50 20 BBGD NNC(=O)NCc1nc(C(F)(F)F)no1 1580358707 SURXLMGXLISWQR-UHFFFAOYSA-N 225.130 -0.239 50 20 BBGD N#CCC(=O)NNc1ccc(-c2nn[nH]n2)cn1 1592671246 BEUBVGWSTGFTEM-UHFFFAOYSA-N 244.218 -0.382 50 20 BBGD Cn1ncc(Cl)c1C=NNC(=O)C(=O)O 1601028161 WDACNODIOBZGDS-UHFFFAOYSA-N 230.611 -0.392 50 20 BBGD CC(=O)N[C@@H](C)C(=O)NNC(=O)c1ccccc1 72508320 JFHZUKGDEJVTTA-QMMMGPOBSA-N 249.270 -0.028 50 20 BBGD CCOC(=O)C(C)(C)C(=O)NNC(C)=O 149284634 OCNANQJTXWFFHU-UHFFFAOYSA-N 216.237 -0.257 50 20 BBGD C[C@H]1C[C@H](O)CN1S(=O)(=O)CCl 307626949 LCBPQSJCQTZDAE-WDSKDSINSA-N 213.686 -0.032 50 20 BBGD C[C@@H]1C[C@]1(C#N)C(=O)Nc1cccc(B(O)O)c1 584911841 NPMXCONVGQJAIN-PRHODGIISA-N 244.059 -0.145 50 20 BBGD OB(O)c1cccc(CNCC2[C@@H]3COC[C@@H]23)c1 585041196 VTGYGASWOHFBQD-STQMWFEESA-N 247.103 -0.652 50 20 BBGD C=C[C@H](CO)NCc1ccccc1B(O)O 585049946 MYLQGNRCVVBTIU-SNVBAGLBSA-N 221.065 -0.997 50 20 BBGD O=C(NCCn1cncn1)NNc1ncccn1 726711595 CGTUCIZQSMYPNZ-UHFFFAOYSA-N 248.250 -0.606 50 20 BBGD O=C(NN=Cc1ncc[nH]1)N1CCOCC1 731153581 SORNCKXHVWYYBA-UHFFFAOYSA-N 223.236 -0.215 50 20 BBGD CCNC(=O)CCC(=O)NNC(=O)C(C)C 732054132 PLIGBLSOIBXPRQ-UHFFFAOYSA-N 229.280 -0.294 50 20 BBGD C[C@@H]1CN(C)CC1=NNC(=O)C(=O)NC1CC1 752162678 GTOZROCFJIAPEW-SSDOTTSWSA-N 238.291 -0.681 50 20 BBGD CC(CN1C(=O)CCC1=O)=NNC(=O)N(C)C 754943751 SFEQLTDRZISBRU-UHFFFAOYSA-N 240.263 -0.218 50 20 BBGD CCCN(C)CC(=O)NN(C)C(N)=O 778418963 XLXJHWNOCZNGQP-UHFFFAOYSA-N 202.258 -0.630 50 20 BBGD CN(C)C(=O)NNC(=O)[C@@H]1CCCN1C1CC1 787268120 UHJWOHNWLUETLR-VIFPVBQESA-N 240.307 -0.084 50 20 BBGD COCCN(C)NC(=O)[C@@H]1C[C@@H]1C(=O)OC 808075194 SNGABLVBLUVULU-SFYZADRCSA-N 230.264 -0.595 50 20 BBGD CC(Cc1ccc(O)cc1)=NNC(=O)C(N)=O 814696618 KZKUESVPPYNGTR-UHFFFAOYSA-N 235.243 -0.088 50 20 BBGD CCN(CCO)NC(=O)CCN1CCOCC1 823856052 LPRLEOPBDCYQKE-UHFFFAOYSA-N 245.323 -0.946 50 20 BBGD COC(=O)N(C)CC(=O)NN(C)[C@@H](C)CO 823970770 KWKBKZYEJCPJOT-ZETCQYMHSA-N 233.268 -0.972 50 20 BBGD O=C(NNc1ccc(F)cn1)[C@]1(O)CCOC1 874647540 XDBRZZBWMNIVBZ-JTQLQIEISA-N 241.222 -0.185 50 20 BBGD O=C(NNC(=O)C12CCN(CC1)C2)C1CC1 899936634 CDWWMJPMULJGKJ-UHFFFAOYSA-N 223.276 -0.360 50 20 BBGD C=CC(=O)N(CC)CC(=O)NN(CC)CCO 911445040 XWBYJOBAIJBXNJ-UHFFFAOYSA-N 243.307 -0.634 50 20 BBGD Cc1ccc2c(c1)C(=O)N(CC(=O)NN)C2=O 916665699 AMQKRMMLHTVMKL-UHFFFAOYSA-N 233.227 -0.419 50 20 BBGD CC[C@@](C)(O)C(=O)NNC(=O)c1cccn1C 929434594 IPLIOWOIOAGFQB-LLVKDONJSA-N 239.275 -0.053 50 20 BBGD Cn1nncc1C(=O)NNc1ncncc1F 1330459589 NFJHAOLTFOORAA-UHFFFAOYSA-N 237.198 -0.499 50 20 BBGD CNC(=O)NNC(=O)[C@]1(C)CCN(C(C)=O)C1 1339817318 CBELJRVTWCALQJ-SNVBAGLBSA-N 242.279 -0.795 50 20 BBGD CO[C@@H](C(=O)O)C(=O)NN(C)c1ccccn1 1593909305 VYXJDNSCEVAVNC-MRVPVSSYSA-N 239.231 -0.351 50 20 BBGD O=C(O)c1coc(C(=O)NNc2nc[nH]n2)c1 1608986526 KUSBMADFBLXUST-UHFFFAOYSA-N 237.175 -0.147 50 20 BBGD CC(=O)NNC(=O)c1cccc(-c2nnn[nH]2)c1 95131437 KVPIMHTULHZQGZ-UHFFFAOYSA-N 246.230 -0.352 50 20 BBGD CN(CCO)S(=O)(=O)CBr 127160028 CFDBWEVAPODJHX-UHFFFAOYSA-N 232.099 -0.407 50 20 BBGD C#CCOCCC(=O)NNC(=O)OCC 157886012 DSCJCWSGQZPMMB-UHFFFAOYSA-N 214.221 -0.196 50 20 BBGD COC(=O)N(C)NC(=O)CCCC(=O)N(C)C 286563855 ZYMZISYNXNOWIN-UHFFFAOYSA-N 245.279 -0.026 50 20 BBGD CCNC(=O)N(C)NC(=O)[C@H](C)NC(=O)OC 494970371 IUIBLFYPWTWNEN-LURJTMIESA-N 246.267 -0.577 50 20 BBGD C[C@H](CCCO)NCc1cccc(B(O)O)c1 585028757 QILAUCPHYRPYRO-SNVBAGLBSA-N 237.108 -0.383 50 20 BBGD COCC[C@@H](C)CNCc1ccc(B(O)O)o1 585046818 WJVPALZOYMOCPV-SECBINFHSA-N 241.096 -0.278 50 20 BBGD C[C@H]1C[C@@H](NCc2ccc(B(O)O)cc2)CO1 585048207 KZOZINVOIFUPSP-JOYOIKCWSA-N 235.092 -0.367 50 20 BBGD C[C@@H](CNS(=O)(=O)CCl)S(C)(=O)=O 697592634 SUUVJNLUNDGSDN-YFKPBYRVSA-N 249.741 -0.465 50 20 BBGD CNC(=O)NNC(=O)C1=C(C)C(C)(C)OC1=O 727647115 RVFWOCSXJJLUTL-UHFFFAOYSA-N 241.247 -0.402 50 20 BBGD O=C(O)NCCC(=O)NNC(=O)C1CC1 739938734 YDLHHYMQGRUYSD-UHFFFAOYSA-N 215.209 -0.799 50 20 BBGD C[C@@H](OC[C@H]1CCCO1)C(=O)NN(C)C(N)=O 770436869 ZMHRROUWCNHHSV-HTQZYQBOSA-N 245.279 -0.388 50 20 BBGD CC[C@@H]1CC[C@H](C(=O)NN(C)C(N)=O)O1 778416887 KHDUDPIGDVMYJP-RNFRBKRXSA-N 215.253 -0.014 50 20 BBGD CC[C@](C)(C#N)C(=O)NNC(=O)CN(C)C 806773002 ZKRDHJXSPQGBEF-SNVBAGLBSA-N 226.280 -0.365 50 20 BBGD O=C(C[C@H]1CCCC(=O)N1)NNc1cnccn1 809680716 XKDDGURIQNHMJC-MRVPVSSYSA-N 249.274 -0.022 50 20 BBGD CC(C)[C@H](O)C(=O)NNC(=O)c1cn[nH]c1 862469908 FIEGRFPJHULFHX-ZETCQYMHSA-N 226.236 -0.812 50 20 BBGD CCc1cc(C(=O)NN(C)C[C@@H](C)O)n[nH]1 910171521 XDBAOGUMXRHNCS-SSDOTTSWSA-N 226.280 -0.071 50 20 BBGD COc1ccnc(NNC(=O)Cn2cccn2)n1 914861592 ZJIUKCWZGYXVAO-UHFFFAOYSA-N 248.246 -0.175 50 20 BBGD CO[C@H](C)C(=O)NNc1nnc(C)c(O)n1 1317904773 BULURLXNNYBEEN-RXMQYKEDSA-N 227.224 -0.636 50 20 BBGD Cn1ccc(NNC(=O)[C@H]2CCOC2)n1 1321105476 PQBWQPAZOZUIIO-ZETCQYMHSA-N 210.237 -0.100 50 20 BBGD CC(C)(N)CC(=O)NNC(=O)c1ccc[nH]1 1573483490 NSNFPNXGCSDJON-UHFFFAOYSA-N 224.264 -0.097 50 20 BBGD Cc1cc(S(N)(=O)=O)oc1C(=O)N(C)N 1574143302 BAKQOBDNPWBYAB-UHFFFAOYSA-N 233.249 -0.819 50 20 BBGD CN(C)C(=O)NNC(=O)C1(CC(=O)O)CCC1 1593686509 JARJXHNWAAGRCX-UHFFFAOYSA-N 243.263 -0.066 50 20 BBGD COCCN(C)NC(=O)CCC(=O)O 1611000566 UDQCZPFYTLDXCT-UHFFFAOYSA-N 204.226 -0.539 50 20 BBGD CCN1CCO[C@@H](C(=O)NNC(=O)OC)C1 376796825 CIXQZOGHQKFYPI-SSDOTTSWSA-N 231.252 -0.906 50 20 BBGD COC(=O)N(C)NC(=O)COC[C@H]1CCCO1 495762745 PEAPIFJIBPNZRF-MRVPVSSYSA-N 246.263 -0.089 50 20 BBGD CC[C@](C)(C#N)NC(=O)c1cccc(B(O)O)c1 584936747 MQBMDBQOIBMAJE-GFCCVEGCSA-N 246.075 -0.212 50 20 BBGD CC1(CNC(=O)c2ccc(B(O)O)cc2)CC1 584957057 KUZOXZOFOOOZBT-UHFFFAOYSA-N 233.076 -0.104 50 20 BBGD C=CCCOCC(=O)N1CC[C@H](B(O)O)C1 585077877 UNCRTFYRGNAQGS-VIFPVBQESA-N 227.069 -0.346 50 20 BBGD Cc1cc(NNC(=O)CNC(=O)C2CC2)ncn1 734256328 GHPSNHFTJMBMJY-UHFFFAOYSA-N 249.274 -0.246 50 20 BBGD Cn1cc(C=NNC(=O)NCC2CC2)nn1 755669499 XAYDJNZJLOCCEG-UHFFFAOYSA-N 222.252 -0.142 50 20 BBGD CN1CCC(=NNC(=O)Cc2ccncc2)C1=O 761810686 QOORWHPTZDZXOG-UHFFFAOYSA-N 246.270 -0.042 50 20 BBGD CCOC1CC(C(=O)NN(C)C(N)=O)C1 807181658 TXJNACSERNMEJH-UHFFFAOYSA-N 215.253 -0.157 50 20 BBGD C#CCOCCC(=O)NN(C)[C@@H](C)CO 823939450 LCLKUFYWLREXGH-VIFPVBQESA-N 214.265 -0.630 50 20 BBGD CCCNC(=O)NNC(=O)[C@H]1CCCN1C=O 823951382 PNTMWBYYOSVQRF-MRVPVSSYSA-N 242.279 -0.652 50 20 BBGD Cc1cccc(C(=O)NNC(=O)[C@@H](O)C2CC2)n1 834814844 DQXQUFOALLOCMU-JTQLQIEISA-N 249.270 -0.078 50 20 BBGD C[C@@H]1CC(=NNC(=O)C(=O)NC2CC2)[C@@H](C)O1 834932683 IGTJZRNNQCYLEP-RNFRBKRXSA-N 239.275 -0.066 50 20 BBGD O=C(NNC(=O)[C@H]1CCCCO1)c1ncc[nH]1 854683843 VGMRAGCKTOPHCD-SSDOTTSWSA-N 238.247 -0.260 50 20 BBGD C[C@@H]1C[C@H](C(=O)NNC(=O)c2cc[nH]n2)CO1 855356430 LTMYXVKGTBEGLI-RQJHMYQMSA-N 238.247 -0.404 50 20 BBGD C/C=C(\C)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862456812 UDYOAJQJBSXJEP-ZAXDUSRUSA-N 225.248 -0.621 50 20 BBGD CN1CCC(=NNC(=O)c2cn[nH]c2)C1=O 863153789 CSLVXOZUZQSELR-UHFFFAOYSA-N 221.220 -0.642 50 20 BBGD COCCN(C)NC(=O)CCc1cn[nH]c1 863914622 KLJUGHITSWUJAP-UHFFFAOYSA-N 226.280 -0.048 50 20 BBGD C[C@H]1COCC1=NNC(=O)C(C)(C)O 884453693 WJHZCQUJSNWQIE-LURJTMIESA-N 200.238 -0.104 50 20 BBGD COCC(=O)NNC(=O)c1ccncc1 912769126 ZHXPYRSEGLDUEM-UHFFFAOYSA-N 209.205 -0.511 50 20 BBGD COC(=O)C(=O)NNC(=O)NC[C@@H](C)C1CC1 1319298598 DRJOJMFRJFJQJW-ZCFIWIBFSA-N 243.263 -0.464 50 20 BBGD CC(=NNC(=O)CO)c1ccnc(O)c1 1321023332 XPCKERKAQMELCB-UHFFFAOYSA-N 209.205 -0.380 50 20 BBGD Cn1nncc1NNC(=O)COCC1CC1 1327872890 BIPDATROBYGNES-UHFFFAOYSA-N 225.252 -0.315 50 20 BBGD C[C@@H](C(=O)NNc1ncccn1)[C@@H]1CCC(=O)N1 1331298899 XWAFRLOUPGUPSY-SFYZADRCSA-N 249.274 -0.166 50 20 BBGD CN(C)C(=O)NNC(=O)c1cc(O)ncn1 1351361639 ODWRJNVGOLGOEL-UHFFFAOYSA-N 225.208 -0.902 50 20 BBGD C=C(Cl)C[C@@H](N)C(=O)NNC(=O)NCC 1574856951 IZMVDZFWSQNDCH-ZCFIWIBFSA-N 234.687 -0.193 50 20 BBGD C=Cn1cc(C=NNC(=O)C(=O)O)cn1 1602945929 NXLDNMALDZUGAX-UHFFFAOYSA-N 208.177 -0.482 50 20 BBGD O=C(NNc1ncccn1)c1cc[nH]n1 48564231 RUPFLVAYLJDOCE-UHFFFAOYSA-N 204.193 -0.043 50 20 BBGD C[C@@H]1CN(S(=O)(=O)CCl)CC(=O)N1 307342937 LAZRUMOAWFCERH-RXMQYKEDSA-N 226.685 -0.667 50 20 BBGD O=C1CC[C@@H](c2ccc(B(O)O)cc2)N1 575441804 BQHFMMPGZCIQTC-VIFPVBQESA-N 205.022 -0.683 50 20 BBGD CSCCNCc1ccc(B(O)O)cc1 585045219 FCOZHTZYYALZQJ-UHFFFAOYSA-N 225.122 -0.181 50 20 BBGD COc1ccc(CCC(=O)NCB(O)O)cc1 585058432 FUAAPMYYUCTIFD-UHFFFAOYSA-N 237.064 -0.244 50 20 BBGD C[C@H](NC(N)=O)C(=O)NCCCSC#N 773588161 MCVSYXTWMIZGTH-LURJTMIESA-N 230.293 -0.236 50 20 BBGD CC(=O)NCC(=O)NNc1ccnc(F)c1 781365154 AKTBFKWOYHGLLN-UHFFFAOYSA-N 226.211 -0.200 50 20 BBGD CCNC(=O)NNC(=O)C1(OC)CCC1 781955388 NTKCGHWNZOPGMU-UHFFFAOYSA-N 215.253 -0.094 50 20 BBGD C[C@@H]1C[C@H](C(=O)NNC(=O)C2CC2)CO1 784145974 YFLKJXJWMJWFOA-SVRRBLITSA-N 212.249 -0.031 50 20 BBGD CC[C@H](C(=O)NNC(=O)C1CC1)[C@H](C)O 789941330 JMQNHDDEVKKATO-XPUUQOCRSA-N 214.265 -0.049 50 20 BBGD C[C@H]1COCCC1=NNC(=O)C(=O)NC1CC1 794482493 NBKSYJCKCBASSB-ZETCQYMHSA-N 239.275 -0.206 50 20 BBGD CCC(=O)NNS(=O)(=O)c1cn(C)nc1C 808069505 XNHHOIWINPXQRS-UHFFFAOYSA-N 246.292 -0.552 50 20 BBGD CCCCC[C@H](O)C(=O)NNC(=O)NC 822738902 GOENYPQWMLRNHH-ZETCQYMHSA-N 217.269 -0.112 50 20 BBGD C#CCO[C@@H](C)C(=O)NNC(=O)NCCC 822800411 XNQFVJVYXNDDGA-QMMMGPOBSA-N 227.264 -0.235 50 20 BBGD COC(=O)N(C)NC(=O)[C@@H](C)N(C)C 822838220 STASMKNKAAECMZ-ZCFIWIBFSA-N 203.242 -0.334 50 20 BBGD C#C[C@H](C)NC(=O)NNC(=O)[C@H]1CCO[C@@H]1C 826531553 NNMICTSUURALAK-YIZRAAEISA-N 239.275 -0.237 50 20 BBGD O=C(NNC(=O)[C@@H]1CCCS1)c1ncon1 832825942 MLKVOIDVGALAJJ-YFKPBYRVSA-N 242.260 -0.274 50 20 BBGD C[C@H]1CC(=NNC(=O)C(=O)N2CCCC2)CO1 842526182 NDQFVXQIQKDDCP-QMMMGPOBSA-N 239.275 -0.110 50 20 BBGD CN(C)CC(=O)NNC(=O)Cc1cscn1 857110340 VIFFQOHUJNLBDF-UHFFFAOYSA-N 242.304 -0.605 50 20 BBGD C=CCCOCC(=O)NNc1cnnn1C 857271670 VAJWPKZFSMNBIR-UHFFFAOYSA-N 225.252 -0.149 50 20 BBGD CO[C@H](C=NNC(=O)[C@H]1CCC(=O)N1)C1CC1 863151733 SGJGKOXSKVNLBF-RKDXNWHRSA-N 239.275 -0.208 50 20 BBGD NNC(=O)CNC(=O)NC1CCCCC1 917940984 SFECNKCQEDBLEW-UHFFFAOYSA-N 214.269 -0.392 50 20 BBGD CCCC(=O)NNC(=O)CN1CCCC1=O 920433852 JPZIFYYFHIHRGR-UHFFFAOYSA-N 227.264 -0.444 50 20 BBGD COCc1ccc(C=NNC(=O)C(N)=O)o1 1322629477 PRHDOWLCDIYAJK-UHFFFAOYSA-N 225.204 -0.639 50 20 BBGD COC(=O)NNC(=O)C1(OC)CCOCC1 1322809961 ZLNHVTPRBGCBKN-UHFFFAOYSA-N 232.236 -0.431 50 20 BBGD Cc1nn(C)c(C)c1CC(=O)NNc1nc[nH]n1 1326342871 JHHCURALMNFNCR-UHFFFAOYSA-N 249.278 -0.159 50 20 BBGD COC(=O)N(C)NC(=O)c1ccc(=O)n(C)n1 1342699235 HHFRXRRIYWUBSH-UHFFFAOYSA-N 240.219 -0.877 50 20 BBGD COCCN(C)NC(=O)[C@@H]1[C@H]2CCNC[C@H]21 1579022462 WEANPCFIJGUZKY-IVZWLZJFSA-N 227.308 -0.549 50 20 BBGD NCCCC(=O)NNC(=O)COC1CC1 1580288876 DEMGTEJOSQBRLW-UHFFFAOYSA-N 215.253 -0.948 50 20 BBGD C[C@H]1C(=NNC(=O)C(=O)O)CO[C@@H]1C 1594638494 CJIJVQZFPLDMEP-RFZPGFLSSA-N 200.194 -0.402 50 20 BBGD C[C@H](O)C(=O)NNc1ccc(-c2nn[nH]n2)cc1 1605441796 GMHMNRNEXBQCFT-LURJTMIESA-N 248.246 -0.309 50 20 BBGD C=CCNC(=S)NNC(=O)CN(C)C 281413055 ZJWHUTMDEOOWKH-UHFFFAOYSA-N 216.310 -0.771 50 20 BBGD CC(=O)NNC(=O)Nc1cnns1 307192336 LOGVXHPHEDDXOK-UHFFFAOYSA-N 201.211 -0.289 50 20 BBGD C[C@H]1OC(=O)N[C@H]1C(=O)NNC(=O)C1CC1 496895136 XXAKSEOZKPSGOG-INEUFUBQSA-N 227.220 -0.959 50 20 BBGD C[C@@H](CF)NC(=O)c1cccc(B(O)O)c1 584990064 NXEMXEJUEBNBIX-ZETCQYMHSA-N 225.028 -0.546 50 20 BBGD C[C@H]1CCCC[C@@H]1OCC(=O)NCB(O)O 585060070 LWXSBWYDMWNICC-IUCAKERBSA-N 229.085 -0.290 50 20 BBGD CO[C@H](C(=O)NNC(=O)C(C)(C)O)C1CC1 792478765 KIEHUOGIVZPWFZ-ZETCQYMHSA-N 230.264 -0.670 50 20 BBGD O=C(CC1OCCO1)NNC(=O)c1ccc[nH]1 792853740 UOFIHXOONNWRHO-UHFFFAOYSA-N 239.231 -0.461 50 20 BBGD CN(C)C(=O)NNC(=O)[C@H](O)C1CC1 824627234 KODQFFUYGONKRN-ZCFIWIBFSA-N 201.226 -0.940 50 20 BBGD C=C[C@](C)(O)C(=O)NNC(=O)Cc1cc[nH]n1 826667383 NTGIVCYZTYRJBZ-JTQLQIEISA-N 238.247 -0.963 50 20 BBGD CCC1(C(=O)NNC(=O)c2cn[nH]c2)COC1 862472528 LWEDPSNYEDAYAA-UHFFFAOYSA-N 238.247 -0.403 50 20 BBGD O=C1CC[C@H](C(=O)NN=Cc2ccc[nH]2)N1 863144846 CAQUCZANYXOHQA-MRVPVSSYSA-N 220.232 -0.257 50 20 BBGD C[C@@H]1CC(=NC(=O)c2cccc(B(O)O)c2)NO1 863878604 SWSBLNFLCSLISO-SSDOTTSWSA-N 248.047 -0.782 50 20 BBGD OB(O)c1ccc(CNCC[C@@H](O)C2CC2)cc1 898194836 PQLJBUVMJAQVMP-CYBMUJFWSA-N 249.119 -0.383 50 20 BBGD CCn1cc(/C=C(\C#N)C(=O)NCCOC)nn1 899338418 KQIYLYKSBRKLDG-RMKNXTFCSA-N 249.274 -0.032 50 20 BBGD CCn1cc(/C=C(/C#N)C(=O)NCCOC)nn1 899338420 KQIYLYKSBRKLDG-TWGQIWQCSA-N 249.274 -0.032 50 20 BBGD C#CCO[C@H](C)C(=O)NN(C)C[C@H](C)O 910144557 KPXOPTURADPDLV-DTWKUNHWSA-N 214.265 -0.632 50 20 BBGD C[C@H](O)CN(C)NC(=O)c1ncccn1 910169111 WZSYZAGDAMBITM-ZETCQYMHSA-N 210.237 -0.566 50 20 BBGD CC(C)NC(=S)NNC(=O)Cc1ncc[nH]1 1118605783 SKPWJXYVDVURDA-UHFFFAOYSA-N 241.320 -0.144 50 20 BBGD NNC(=O)c1ccc(N2C(=O)CCC2=O)cc1 1261495456 GZCBVGMHKKEOSI-UHFFFAOYSA-N 233.227 -0.057 50 20 BBGD NC(=O)[C@@H]1CC[C@@H]1C(=O)NNc1cccnn1 1327097724 QQIMDIKTQBEXGL-RQJHMYQMSA-N 235.247 -0.569 50 20 BBGD Cc1ccnn1CC(=O)N1CC[C@H](B(O)O)C1 1330263077 YWAGOYCDTQBRHK-VIFPVBQESA-N 237.068 -0.733 50 20 BBGD CCn1nc(C)c(C=NNC(=O)C(N)=O)c1C 1341144106 GXWQNHQNKZELMT-UHFFFAOYSA-N 237.263 -0.545 50 20 BBGD C=CC[C@H](CC)NC(=O)NNC(=O)C(=O)O 1588735536 DDXRYESOYMLWMN-LURJTMIESA-N 229.236 -0.244 50 20 BBGD CC(Cn1cccn1)=NNC(=O)C(=O)O 1592926521 RZUSAFKFMIHHAE-UHFFFAOYSA-N 210.193 -0.540 50 20 BBGD O=C(O)c1cc(C(=O)NNc2nc[nH]n2)on1 1602247591 ZAWPWEIPXAOIGI-UHFFFAOYSA-N 238.163 -0.752 50 20 BBGD C#CCNS(=O)(=O)CBr 38997229 AAJMTMVBTXIMQA-UHFFFAOYSA-N 212.068 -0.109 50 20 BBGD O=S(=O)(CCl)N1CCN(CCO)CC1 82511935 VBFVSWRQQMMEEJ-UHFFFAOYSA-N 242.728 -0.878 50 20 BBGD CCN1C[C@H](C(=O)NNC(=O)C2CC2)CC1=O 298335875 IVDVJNSXCMPJBH-MRVPVSSYSA-N 239.275 -0.588 50 20 BBGD CCOCCNC(=S)NNC(C)=O 379358218 USWYROLOJHSJQP-UHFFFAOYSA-N 205.283 -0.462 50 20 BBGD CC(C)(C)CCCS(=O)(=O)NCB(O)O 585059562 RXFDMUWFSIDXLV-UHFFFAOYSA-N 237.130 -0.256 50 20 BBGD O=C(NN=C1CCOC1)[C@H]1CCS(=O)(=O)C1 731925888 ATVOHDVMUQNGIN-ZETCQYMHSA-N 246.288 -0.686 50 20 BBGD CCCCNC(=O)NNC(=O)CCNC(=O)O 736999238 URNJUCGJCQEIPI-UHFFFAOYSA-N 246.267 -0.225 50 20 BBGD COC(=O)CSCC(=O)NNC(=O)C1CC1 742447985 SVWLGWUCAUJZAC-UHFFFAOYSA-N 246.288 -0.550 50 20 BBGD Cn1cccc1C(=O)NNC(=O)c1ncccn1 743289764 CBJSKDAIQWRKCE-UHFFFAOYSA-N 245.242 -0.110 50 20 BBGD C#CC(=O)NNC(=O)[C@H]1COc2ccccc2O1 753887406 IGFCTBVAMWXHFT-SNVBAGLBSA-N 246.222 -0.393 50 20 BBGD CC(C)(O)C(=O)NNC(=O)C1(O)CCCC1 768259853 RCMSBWBHDNZLJF-UHFFFAOYSA-N 230.264 -0.790 50 20 BBGD CNC(=O)NNC(=O)c1cc(N(C)C)ccn1 776635029 HPTZCPINDZKIQG-UHFFFAOYSA-N 237.263 -0.279 50 20 BBGD CN(NC(=O)c1cc([N+](=O)[O-])cn1C)C(N)=O 778412950 XIKSJONYAXATKA-UHFFFAOYSA-N 241.207 -0.411 50 20 BBGD CCNC(=O)NNC(=O)[C@@H]1CO[C@H](C)C1 784149721 QTXMFCSOMKZAEK-RQJHMYQMSA-N 215.253 -0.238 50 20 BBGD C[C@@H]1C[C@@H]1C(=O)NNC(=O)N1CCN(C)CC1 788169634 SJBYZWDLMYKDKZ-BDAKNGLRSA-N 240.307 -0.369 50 20 BBGD CC[C@](C)(O)C(=O)NNC(=O)[C@H]1CCO[C@@H]1C 823475170 OIULKRVZURSAHB-FYBVGQRMSA-N 244.291 -0.280 50 20 BBGD C#CCCNC(=O)NNC(=O)[C@H]1CCO[C@@H]1C 825994602 LHKXHJDQMNYQFK-BDAKNGLRSA-N 239.275 -0.235 50 20 BBGD COCCN(C)NC(=O)[C@@H]1CC[C@@H]1C(N)=O 848057539 WRGYGHJSXZHBHC-JGVFFNPUSA-N 229.280 -0.893 50 20 BBGD CC(=NNC(=O)[C@@H]1CCC(=O)N1)c1c[nH]nc1C 863149793 FVXRYFBRRIBIGX-VIFPVBQESA-N 249.274 -0.163 50 20 BBGD CCC(=O)NNC(=O)[C@H](C)N1C[C@H]2C[C@H]2C1 886344400 DHXJYABJJQFDLO-XHNCKOQMSA-N 225.292 -0.116 50 20 BBGD CC(C)(C)NC(=S)NNC(=O)CCC(N)=O 905344285 WDYKXDPUCHBULI-UHFFFAOYSA-N 246.336 -0.454 50 20 BBGD CC(C)NC(=S)NNC(=O)[C@H]1CCC(=O)N1 913445822 UFWGIRASBKEZON-ZCFIWIBFSA-N 244.320 -0.831 50 20 BBGD Cn1cc(/C=C\C(=O)NNC(=O)C2CC2)cn1 917107570 DVWIIPPDUHCSRL-DJWKRKHSSA-N 234.259 -0.009 50 20 BBGD N#CCCCCCC(=O)NNC(=O)CO 1261087903 XYHUZFVADUSHCM-UHFFFAOYSA-N 213.237 -0.400 50 20 BBGD C[C@H](C(=O)NNC(=O)CO)n1cccc1 1320967724 OZBZJNNGZHRJIE-SSDOTTSWSA-N 211.221 -0.811 50 20 BBGD C[C@H](O)CN(C)NC(=O)CCCn1cncn1 1332148292 LCNHWFIPVCSZJM-VIFPVBQESA-N 241.295 -0.598 50 20 BBGD C[C@@H]1COCC1=NNC(=O)[C@@H]1CCC(=O)N1 1333199516 IXOCRPPCUULLIV-RQJHMYQMSA-N 225.248 -0.597 50 20 BBGD O=S(=O)(C1CC1)N1CC[C@H](B(O)O)C1 1335433589 SJIDBADDZRIYDZ-LURJTMIESA-N 219.071 -0.973 50 20 BBGD Cc1ncoc1C(=O)NNC(=O)C(C)(C)O 1339158539 HNVNSEDSGDJFRZ-UHFFFAOYSA-N 227.220 -0.485 50 20 BBGD CO[C@@H](C(=O)NN(C)C(N)=O)c1cnn(C)c1 1344550294 YCWWOUYMXNODDM-SSDOTTSWSA-N 241.251 -0.851 50 20 BBGD COc1cc(C(=O)NNc2ccncn2)nn1C 1348014356 IJVOWXYCLNSMDT-UHFFFAOYSA-N 248.246 -0.024 50 20 BBGD CC(C)(N)C(=O)NNC(=O)[C@@H]1CCCS1 1574068003 NVNFTIRCDQHKKW-LURJTMIESA-N 231.321 -0.233 50 20 BBGD CCOC(=O)NNC(=O)CN1CCCC1=O 61475867 BNVQTJGWFNQBDZ-UHFFFAOYSA-N 229.236 -0.614 50 20 BBGD O=C(CCO)NNC(=O)Nc1ccc(F)cn1 122525015 QYYOEDDBIGTAKV-UHFFFAOYSA-N 242.210 -0.244 50 20 BBGD CC(C)=NNC(=O)N[C@H]1CCS(=O)(=O)C1 147166394 LUCWFKOOVSXKSH-ZETCQYMHSA-N 233.293 -0.132 50 20 BBGD COC(=O)NCC(=O)NNC(=O)CC1CC1 294137481 LLLWIAJEJMSBNM-UHFFFAOYSA-N 229.236 -0.710 50 20 BBGD CCNC(=O)NN=Cc1cnn(C)c1N 382387609 LJHJQRKWHIKDNW-UHFFFAOYSA-N 210.241 -0.345 50 20 BBGD O=C(N[C@@H]1C=CCC1)c1cccc(B(O)O)c1 585005404 AGVRLRIHYNZBNW-LLVKDONJSA-N 231.060 -0.185 50 20 BBGD Cc1cc(CNCc2ccccc2B(O)O)on1 585033177 ZLHFEFIUMXJBKU-UHFFFAOYSA-N 246.075 -0.047 50 20 BBGD CC(C)[C@H](CO)CNCc1ccc(B(O)O)o1 585040860 QTPNCCRFBRAYRZ-VIFPVBQESA-N 241.096 -0.687 50 20 BBGD CCC(CC)CS(=O)(=O)NCB(O)O 585055571 FECRIERMVULKSJ-UHFFFAOYSA-N 223.103 -0.646 50 20 BBGD COCCn1cc(C=NNC(N)=O)cn1 743418198 WSGCKYOFZWTROF-UHFFFAOYSA-N 211.225 -0.468 50 20 BBGD Cn1cc(CC(=O)NNC(=O)c2ccc[nH]2)cn1 750718191 NYBAKQFOVGHCAI-UHFFFAOYSA-N 247.258 -0.248 50 20 BBGD CC(=O)NNC(=O)Nc1c(C)ccn(C)c1=O 753935139 DPABUJRLGJMNQT-UHFFFAOYSA-N 238.247 -0.134 50 20 BBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)C(C)(C)O 768261018 JYWOJQPNSPEOTG-RNFRBKRXSA-N 230.264 -0.670 50 20 BBGD Cn1ccc(CC(=O)NN=c2cc[nH]cc2)n1 782777125 FACXCEVDYXCMLJ-UHFFFAOYSA-N 231.259 -0.077 50 20 BBGD N#C/C(=C/C1CC1)C(=O)OCC(=O)NC(N)=O 786675814 MJCFRCNSSCMRNO-CLTKARDFSA-N 237.215 -0.416 50 20 BBGD CCO/C=C(\C#N)C(=O)N[C@H](CO)COC 794142791 JTIDXRZDWBXDIW-BNICOGTQSA-N 228.248 -0.446 50 20 BBGD O=C(CO)NNC(=O)c1occ2c1CCC2 807198913 PKIISJHERQXTRV-UHFFFAOYSA-N 224.216 -0.478 50 20 BBGD O=C(NN=Cc1cnccn1)N1CCOCC1 807965727 IXJUYLIZMNVLBZ-UHFFFAOYSA-N 235.247 -0.148 50 20 BBGD CCn1ccc(C(=O)NN(C)[C@@H](C)CO)n1 823912206 CBVBROBQTVKSRY-QMMMGPOBSA-N 226.280 -0.140 50 20 BBGD Cc1ccc(F)c(CC(=O)NNC(=O)CO)c1 827893476 FVPFPBQMOMSSEJ-UHFFFAOYSA-N 240.234 -0.184 50 20 BBGD O=C(O)NCC(=O)NNc1ncc(F)cn1 833776900 BMLSPFRVLDIVAW-UHFFFAOYSA-N 229.171 -0.674 50 20 BBGD CCNC(=O)N(C)NC(=O)C1(N)CC1 843492798 HCLXCLLNDTWJGB-UHFFFAOYSA-N 200.242 -0.830 50 20 BBGD O=C(NNC(=O)[C@@H]1[C@H]2CNC[C@H]21)c1ccccc1 844203636 HIAMDMNNMKHGHI-URLYPYJESA-N 245.282 -0.087 50 20 BBGD COCC1(C(=O)NNC(=O)c2cn[nH]c2)CC1 862471033 OKCOTQFTSXHEFR-UHFFFAOYSA-N 238.247 -0.403 50 20 BBGD Cc1cc(=NNC(=O)[C@@H]2CCCN2C=O)cc[nH]1 862515637 YNYFUIDOATTXRA-NSHDSACASA-N 248.286 -0.124 50 20 BBGD CN(NC(=O)c1ccc(B(O)O)cc1)C1CC1 863884443 KVNDXKQMWSGONX-UHFFFAOYSA-N 234.064 -0.895 50 20 BBGD O=C1C[C@H](NS(=O)(=O)CCCCl)CO1 882213374 HSNLJEZXBGFTPU-LURJTMIESA-N 241.696 -0.150 50 20 BBGD C[C@H](O)CN(C)NC(=O)C[C@](C)(O)C1CC1 910160912 PZLKUDRSZNZFKJ-KWQFWETISA-N 230.308 -0.119 50 20 BBGD COc1cncc(C=NNC(=O)C(=O)O)c1C 1599726574 OAJRNXBNXMQHFD-UHFFFAOYSA-N 237.215 -0.067 50 20 BBGD O=C(NNc1ncccn1)[C@@H]1CCCNC1 195159404 PHHHSQJNYOQCFT-MRVPVSSYSA-N 221.264 -0.081 50 20 BBGD COC(=O)N(C)NC(=O)CN(C)C(C)=O 495823391 NXLKLLZKFLZDGS-UHFFFAOYSA-N 217.225 -0.806 50 20 BBGD CSc1cc(C(=O)NCB(O)O)co1 585068289 ZPIMKMJXZNFBIO-UHFFFAOYSA-N 215.039 -0.257 50 20 BBGD CC(C)NC(=O)NNC(=O)[C@H]1CN(C)CCO1 746176510 NGIUSZWAHZBKEK-MRVPVSSYSA-N 244.295 -0.944 50 20 BBGD O=C(CO)NNC(=O)CN1CCc2ccccc21 777780997 CDVSPYISCMKTEN-UHFFFAOYSA-N 249.270 -0.811 50 20 BBGD CN(NC(=O)[C@H](O)C(C)(C)C)C(N)=O 778414531 FJRVOTLGWJRANQ-YFKPBYRVSA-N 203.242 -0.565 50 20 BBGD Cn1ncc(C(=O)NNC(=O)c2cccn2C)n1 785723181 PHUFFUKRTPBWCT-UHFFFAOYSA-N 248.246 -0.772 50 20 BBGD O=C(CC1CC1)NNC(=O)[C@H]1C[C@@H](O)C1 823201656 AYXMBGGEGZGYOV-OCAPTIKFSA-N 212.249 -0.295 50 20 BBGD CCCCNC(=O)NNC(=O)[C@H](COC)OC 823755927 OCXDZIFTCXXSGB-QMMMGPOBSA-N 247.295 -0.222 50 20 BBGD CCN(CCO)NC(=O)[C@](C)(O)C(C)C 823873664 FSXXKORCPLIIBB-SNVBAGLBSA-N 218.297 -0.261 50 20 BBGD CCN(CCO)NC(=O)c1cn(CC)cn1 823898507 YUOPSPUZHSYGIF-UHFFFAOYSA-N 226.280 -0.138 50 20 BBGD CCCNC(=O)NNC(=O)Cc1ncc[nH]1 823950706 JYPPDMWSOGTAJG-UHFFFAOYSA-N 225.252 -0.307 50 20 BBGD COC[C@H](OC)C(=O)NNC(=O)NC(C)C 824404785 WLPNTODNFMTQDH-ZETCQYMHSA-N 233.268 -0.613 50 20 BBGD CC(C)C(=O)NNC(=O)[C@H](C)CC(=O)O 826658689 WCIPWNAUUUCVID-ZCFIWIBFSA-N 216.237 -0.099 50 20 BBGD CC(C)(C)OC(=O)NNC(=O)C[C@H]1CC(=O)N1 854162382 GSZZZLKKTPVBCC-ZCFIWIBFSA-N 243.263 -0.179 50 20 BBGD CCO/C=C(\C#N)C(=O)N1CCOCCN1 854691387 HWVHYGHOWLRWMC-CMDGGOBGSA-N 225.248 -0.206 50 20 BBGD CNC(=S)N(C)NC(=O)[C@H]1CCCCN1C 854923036 XUIFUUUXOJOLIJ-MRVPVSSYSA-N 244.364 -0.062 50 20 BBGD CC[C@H](C(=O)NNc1cnnn1C)N(C)C 857272765 GZEVKUZDSBDVFK-SSDOTTSWSA-N 226.284 -0.402 50 20 BBGD O=C(NNC(=O)[C@H]1CCCNC1=O)C1CCC1 865701861 QUGMGVRNDNSHJT-QMMMGPOBSA-N 239.275 -0.540 50 20 BBGD C[C@H](C(=O)NNC(=O)c1cccnn1)N(C)C 882056575 ZXWGTXBAPJNIIY-SSDOTTSWSA-N 237.263 -0.812 50 20 BBGD CC(=O)NNC(=O)CCNC(C)(C)C 929181669 DUJJHCRVHVNXED-UHFFFAOYSA-N 201.270 -0.068 50 20 BBGD CCNC(=O)N(C)NC(=O)c1cnccn1 1116448546 AWECGQYGFCCJNP-UHFFFAOYSA-N 223.236 -0.217 50 20 BBGD COC(=O)C(=O)NN=C(C)c1cnccn1 1252511364 MJBCXFBLNVMZRA-UHFFFAOYSA-N 222.204 -0.510 50 20 BBGD N#CCC(=O)NNC(=O)c1n[nH]c2c1CCCC2 1320490689 CWQPUAOEZBMCLS-UHFFFAOYSA-N 247.258 -0.037 50 20 BBGD Cc1ncoc1C(=O)NNC(=O)CN(C)C 1331289207 PZCOLOAXSLUCDM-UHFFFAOYSA-N 226.236 -0.694 50 20 BBGD O=C(CC1CC1)NNC(=O)c1ncon1 1335158054 BSZBMIALKDDDDN-UHFFFAOYSA-N 210.193 -0.369 50 20 BBGD NC(=O)C1(C(=O)NNc2cccnn2)CC1 1342261965 IAOKXAJHHYVMCS-UHFFFAOYSA-N 221.220 -0.815 50 20 BBGD O=C(NNC(=O)C(=O)O)NOC1CCCCC1 1601552658 CPGUJRFZJVDYOL-UHFFFAOYSA-N 245.235 -0.334 50 20 BBGD Cc1csc(C=NNC(=O)C(=O)O)n1 1610547086 ZFOAAHCZDCZBPV-UHFFFAOYSA-N 213.218 -0.014 50 20 BBGD COc1cc(C#N)ccc1OCC(=O)NN 70153929 XNZNCPTYTOJVDN-UHFFFAOYSA-N 221.216 -0.064 50 20 BBGD Cc1ccc(C(=O)NNS(=O)(=O)N(C)C)o1 84461381 SQKCWWZONJSJGY-UHFFFAOYSA-N 247.276 -0.371 50 20 BBGD CCCOCC(=O)NNC(=O)CN(C)C 113423452 MSQCMVDNYFEZFZ-UHFFFAOYSA-N 217.269 -0.878 50 20 BBGD CC(C)OCCC(=O)NN(C)C(N)=O 181082752 FJWMSOGCUUEPLG-UHFFFAOYSA-N 203.242 -0.157 50 20 BBGD O=C(CO)NNC(=O)CCc1ccco1 182746530 QDCNSQFUMSAKMY-UHFFFAOYSA-N 212.205 -0.648 50 20 BBGD CCO/C=C(\C#N)C(=O)N(C)[C@@H]1COC[C@H]1O 287482873 XQNXEHQCDXGLPH-STFJZOTBSA-N 240.259 -0.352 50 20 BBGD C[C@H](Cl)C(=O)N1C[C@H]2C(=O)NC(=O)[C@H]2C1 306523769 UZPQTUBEFLSKRU-HCWXCVPCSA-N 230.651 -0.655 50 20 BBGD O=S(=O)(CCl)N(CCO)CCCO 385343050 KDICPFMKJIUZQJ-UHFFFAOYSA-N 231.701 -0.811 50 20 BBGD CCO[C@H](C)C(=O)Nc1cccc(B(O)O)c1 584909703 HNVJMTQVVJDMCM-MRVPVSSYSA-N 237.064 -0.270 50 20 BBGD O=C(NCB(O)O)c1cccc(F)c1F 585060734 IYPBYGDCZSTSJH-UHFFFAOYSA-N 214.964 -0.293 50 20 BBGD CC(C)[C@@H](NC(=O)O)C(=O)NNC(=O)C1CC1 736373880 HDLHRKNVAIOOKA-SSDOTTSWSA-N 243.263 -0.164 50 20 BBGD CNC(=O)NN=C1CCN(S(C)(=O)=O)CC1 747633057 KQUUKXBNAWDRPL-UHFFFAOYSA-N 248.308 -0.673 50 20 BBGD O=C(NCC(F)F)NNC(=O)c1cnccn1 752001296 AVFDPUPJUZKTFC-UHFFFAOYSA-N 245.189 -0.314 50 20 BBGD O=C(Cc1cccnc1)NNC(=O)C1(O)CCC1 772845994 OLGQAQDOVIPGOS-UHFFFAOYSA-N 249.270 -0.314 50 20 BBGD O=C(NNC(=O)c1ccncn1)c1ccccn1 778282018 IEIIOEYJMDMAMP-UHFFFAOYSA-N 243.226 -0.054 50 20 BBGD CN1CCN(C(=O)NNC(=O)C2(C)CC2)CC1 807383491 XLLHSUYRPDQUIV-UHFFFAOYSA-N 240.307 -0.225 50 20 BBGD CNC(=S)N(C)NC(=O)CN1CCCC1 823552078 JHVAFQMNQZYTDO-UHFFFAOYSA-N 230.337 -0.451 50 20 BBGD CC(C)(CO)C(=O)NNc1cnccn1 847754868 QMRSNNAVGIKYFU-UHFFFAOYSA-N 210.237 -0.062 50 20 BBGD CON=CC(=O)NNC(=S)N[C@H](C)C1CC1 855097249 MKHMBXXJOAKXLU-ZCFIWIBFSA-N 244.320 -0.088 50 20 BBGD Cc1ncc(C(=O)NNc2ccncn2)c(N)n1 857521879 SCWROJNFFXYDMB-UHFFFAOYSA-N 245.246 -0.086 50 20 BBGD CC[C@H](O)[C@H](C)C(=O)NNC(=O)N(C)C 900428054 RORFYZXWBVISHI-BQBZGAKWSA-N 217.269 -0.304 50 20 BBGD CN(C)C(=O)NNC(=O)Cc1cncs1 1116723393 VWXNWUGBBZFPBU-UHFFFAOYSA-N 228.277 -0.012 50 20 BBGD Cc1nonc1CC(=O)NNc1ncccn1 1118776838 NLQQPWLLABGWMO-UHFFFAOYSA-N 234.219 -0.146 50 20 BBGD Cn1nncc1NNC(=O)[C@H]1C[C@H]2CC(=O)[C@@H]1C2 1183570240 DQWOHYKELKIRHO-RNJXMRFFSA-N 249.274 -0.127 50 20 BBGD Cc1cc(C(=O)NNC(=O)N(C)C)ncn1 1319617069 FQOJCWAUGWOJJH-UHFFFAOYSA-N 223.236 -0.299 50 20 BBGD COc1ccc(NNC(=O)c2ncn(C)n2)nc1 1324320162 SGDVHNYCFUJQDY-UHFFFAOYSA-N 248.246 -0.024 50 20 BBGD CC(=O)Nc1ccccc1C=NNC(=O)C(N)=O 1324432863 HWUBKYKZIBUJBA-UHFFFAOYSA-N 248.242 -0.420 50 20 BBGD CN(C)C(=O)NNC(=O)C1CCC(O)CC1 1326799860 SCDINFQEIQLUBG-UHFFFAOYSA-N 229.280 -0.160 50 20 BBGD O=C(NNC(=O)C1CCC1)c1cnnc(O)c1 1330873483 RBHRYCVPQLAUSD-UHFFFAOYSA-N 236.231 -0.257 50 20 BBGD Nc1nccnc1C(=O)NNc1ccncn1 1334803842 UXSJKCCLKQBPBH-UHFFFAOYSA-N 231.219 -0.394 50 20 BBGD C#CCCCC(=O)NNC(=O)Cc1nc[nH]n1 1335332376 YZIDCLRBDWSCCX-UHFFFAOYSA-N 235.247 -0.702 50 20 BBGD NOCC(=O)NNC(=O)c1ccccc1F 1580359299 YFDHQLMDVKKXCQ-UHFFFAOYSA-N 227.195 -0.523 50 20 BBGD O=C(NNC(=O)[C@H]1CCN1)c1ccc(Cl)[nH]1 1580733496 WLRRLLTUSDJTHV-RXMQYKEDSA-N 242.666 -0.209 50 20 BBGD O=C(NC[C@H]1CCCS1)NNC(=O)C(=O)O 1601483836 HUMSLFARVUFXKQ-RXMQYKEDSA-N 247.276 -0.703 50 20 BBGD COCC(=O)NNc1ccc(-c2nn[nH]n2)cn1 1605039598 MOFNQSJSVNGKOE-UHFFFAOYSA-N 249.234 -0.649 50 20 BBGD CCOC(=O)/C(C#N)=C\N[C@H](CF)C(=O)O 1605503857 MKHXYBRMGOPPTP-KXTMECRCSA-N 230.195 -0.031 50 20 BBGD COC[C@@H](C)C=NNC(=O)NCC(=O)O 1610243972 WPEWOUBJWKODDG-LURJTMIESA-N 217.225 -0.362 50 20 BBGD CC(C)[C@H](O)C(=O)Nc1cccc(B(O)O)c1 584914237 SVGFICFDCJOOOY-JTQLQIEISA-N 237.064 -0.678 50 20 BBGD CC(C)(O)CCNCc1ccc(B(O)O)cc1 585036458 KBWJVPWODLODHK-UHFFFAOYSA-N 237.108 -0.383 50 20 BBGD OB(O)c1ccc(CNC(CF)CF)o1 585042993 GYZURTBDTPFRQX-UHFFFAOYSA-N 218.996 -0.643 50 20 BBGD CC[C@@H](C)OCC(=O)N1CC[C@@H](B(O)O)C1 585065091 UQVUQHUVPJOPTR-RKDXNWHRSA-N 229.085 -0.123 50 20 BBGD COCCC1(C(=O)N2CC[C@@H](B(O)O)C2)CC1 585065423 XZXHGRKXTGCUSI-SECBINFHSA-N 241.096 -0.122 50 20 BBGD O=C(NNC(=O)[C@]1(O)CCSC1)C1CCC1 765797197 QGVVHZCZDVIMPV-JTQLQIEISA-N 244.316 -0.198 50 20 BBGD CC(C)(O)C(=O)NNC(=O)C1CC(F)(F)C1 768244804 NTQKCFQKXLBNQK-UHFFFAOYSA-N 236.218 -0.050 50 20 BBGD CN(NC(=O)C[C@H]1CCCC[C@@H]1O)C(N)=O 798301538 DVHXAWZPDMCYJQ-SFYZADRCSA-N 229.280 -0.031 50 20 BBGD CCN(CCO)NC(=O)Cc1cnn(CC)c1 823879687 RNUXVGJUUPAEHO-UHFFFAOYSA-N 240.307 -0.209 50 20 BBGD CC(F)(F)C(=O)NNC(=O)c1ncon1 832826209 SYEMGIWDHMFXKR-UHFFFAOYSA-N 220.135 -0.514 50 20 BBGD COC(=O)NNC(=O)[C@@H]1CCN(C)[C@@H]1C 844128761 JOZOBFLEOOHWKQ-RNFRBKRXSA-N 215.253 -0.286 50 20 BBGD CCNC(=O)N(C)NC(=O)[C@H]1CCOC(=O)N1 860667805 JOMTYEJUECFTQZ-ZCFIWIBFSA-N 244.251 -0.823 50 20 BBGD CC(C)(O)C(=O)NNC(=O)C1CSC1 867672803 UYAQSMFANTVIAI-UHFFFAOYSA-N 218.278 -0.732 50 20 BBGD CC(C)C(=O)NNC(=O)CN1C[C@@H]2C[C@H]2C1 886348185 IEYDEZYVVQZWSS-IUCAKERBSA-N 225.292 -0.259 50 20 BBGD CC(=O)NNC(=O)C(C)(C)S(=O)(=O)C1CC1 1117006238 MMZBWJRASYHDFD-UHFFFAOYSA-N 248.304 -0.491 50 20 BBGD C[C@@H](CO)N(C)NC(=O)C[C@H]1CCOC1 1119047249 FOEJAKKCOMRLAR-DTWKUNHWSA-N 216.281 -0.243 50 20 BBGD COC(=O)C(=O)NN=C1CN(C)C[C@@H]1C 1323613379 DJSYBGPUCHZKJV-LURJTMIESA-N 213.237 -0.787 50 20 BBGD C/C=C/C(=O)NNC(=O)C(=O)Nc1ccccn1 1331911302 QKTSBNYZDIQCJN-GORDUTHDSA-N 248.242 -0.256 50 20 BBGD CCNC(=O)CC(=O)NNc1ncccn1 1337464917 CDOBZUXOTTXINI-UHFFFAOYSA-N 223.236 -0.554 50 20 BBGD Cn1cc(C(=O)NNC(=O)Cc2cc[nH]n2)cn1 1338671472 HUGTXDKQQZDTSU-UHFFFAOYSA-N 248.246 -0.853 50 20 BBGD COC(=O)NNC(=O)CCc1ccncn1 1343657505 QOIMJBVGPVSFII-UHFFFAOYSA-N 224.220 -0.204 50 20 BBGD COCCN(C)NC(=O)CCn1ccnc1 294563408 XHVBQHJBWSDPTC-UHFFFAOYSA-N 226.280 -0.117 50 20 BBGD CNC(=O)NNc1nncc(N)c1Cl 306206375 BXQQTXXSWHGCOB-UHFFFAOYSA-N 216.632 -0.032 50 20 BBGD N#CCCCNC(=O)c1ccc(B(O)O)cc1 584972749 GMSIKTGOKFVNTB-UHFFFAOYSA-N 232.048 -0.600 50 20 BBGD CCCCNC(=O)NNC(=O)[C@@](C)(O)COC 754990031 UTGAWJGQUPLBDG-JTQLQIEISA-N 247.295 -0.486 50 20 BBGD O=C(NNC(=O)C1CC1)c1ccc2nnnn2c1 758150908 APROGXJUEQSUPC-UHFFFAOYSA-N 246.230 -0.705 50 20 BBGD CCNC(=O)NNC(=O)C(C)(C)OC(C)=O 779750469 WJCPCCMEFDBVHB-UHFFFAOYSA-N 231.252 -0.322 50 20 BBGD CO[C@@H](C)CS(=O)(=O)NNC(=O)N(C)C 800834193 PRXGEOACKYJNTF-LURJTMIESA-N 239.297 -0.873 50 20 BBGD CONC(=O)NNC(=O)[C@@H]1CCO[C@H]1C 826940439 INWCIMDGRMUQJM-NTSWFWBYSA-N 217.225 -0.697 50 20 BBGD CCNC(=O)N(C)NC(=O)[C@H](C)NC1CC1 831945736 UVYPINUNCHQNHA-ZETCQYMHSA-N 228.296 -0.181 50 20 BBGD CCO/C=C(/C#N)C(=O)NN1CCOC1=O 862702032 UPYZGCUXIGCXJS-SREVYHEPSA-N 225.204 -0.086 50 20 BBGD CCC[C@H](O)C(=O)NNC(=O)NC(C)C 930993591 LPHWLJQMJISPFD-ZETCQYMHSA-N 217.269 -0.114 50 20 BBGD O=C(CC1CC1)NNC(=O)C[C@H]1CCC(=O)N1 1334434942 RFBVICMSMNEIME-MRVPVSSYSA-N 239.275 -0.397 50 20 BBGD CNC(=O)NNC(=O)[C@@H](C(=O)O)C(C)C 1604240819 NAXGDUGBTRNSGR-YFKPBYRVSA-N 217.225 -0.697 50 20 BBGD CCNC(=O)NNC(=O)CCn1cccn1 139196725 UKEHVUHIVOQHAF-UHFFFAOYSA-N 225.252 -0.377 50 20 BBGD CO[C@H](CN)C(=O)NNc1nc(C)cc(C)n1 289691743 SOBPCGAMBKPJMK-MRVPVSSYSA-N 239.279 -0.490 50 20 BBGD CN(C)C(=O)NNC(=O)CNCC(F)(F)F 390535274 JXCBNCOVLRPSFA-UHFFFAOYSA-N 242.201 -0.559 50 20 BBGD Cc1ncc(C(=O)NNC(=O)c2c[nH]nc2C)[nH]1 735515898 DDQOCUBTWNPDDH-UHFFFAOYSA-N 248.246 -0.176 50 20 BBGD CCN1CCO[C@@H](C(=O)NNC(=O)C2CC2)C1 746093383 QADIUMRGJVUZLQ-SECBINFHSA-N 241.291 -0.736 50 20 BBGD CO[C@@H]1CCN(CC(=O)NNC(=O)C2CC2)C1 752321347 JAJAKRQXJQDDNQ-SECBINFHSA-N 241.291 -0.736 50 20 BBGD Cc1nn(C)c(C)c1CC(=O)NN(C)C(N)=O 778417141 NZHSJRRFQBSOHS-UHFFFAOYSA-N 239.279 -0.379 50 20 BBGD CCOc1cnc(C(=O)NNC(=O)OC)cn1 779370223 AQEJYDICXCCLJK-UHFFFAOYSA-N 240.219 -0.124 50 20 BBGD CC(C)C(=O)NNC(=O)N1CCN(C)CC1 788169850 UVAQBBUPYZTZJZ-UHFFFAOYSA-N 228.296 -0.369 50 20 BBGD CNC(=O)NCC(=O)NNc1cccc(F)n1 804771661 HZMZTMDODCUXPG-UHFFFAOYSA-N 241.226 -0.407 50 20 BBGD CNS(=O)(=O)CCN1CC=C(C#N)CC1 856732693 YSGMOOSKPCIMLY-UHFFFAOYSA-N 229.305 -0.309 50 20 BBGD CC(=O)N(C)CC(=O)NN=c1cc[nH]c(C)c1 862509033 DEDXRVUPSPWNQK-UHFFFAOYSA-N 236.275 -0.267 50 20 BBGD COC/C=C\C(=O)NNC(=O)Cc1ccncc1 866322158 VFCIRCWQGIBAPA-IHWYPQMZSA-N 249.270 -0.026 50 20 BBGD CC[C@@H](NC(C)=O)C(=O)NN(C)C(=S)NC 868860693 HFKAAFZNMVRFPL-SSDOTTSWSA-N 246.336 -0.632 50 20 BBGD C[C@H](CO)N(C)NC(=O)C12CCCN1CCC2 1119106077 YKPKIXAGPFVPMI-SNVBAGLBSA-N 241.335 -0.041 50 20 BBGD CCN(CCO)NC(=O)c1cc[n+]([O-])cc1 1261910680 GORPMBVKMNJWIB-UHFFFAOYSA-N 225.248 -0.721 50 20 BBGD Cc1cc(C(=O)NNc2cnnn2C)n[nH]1 1325026389 GRIZMDQSQZUOQW-UHFFFAOYSA-N 221.224 -0.396 50 20 BBGD O=C1CC[C@@H](CC(=O)NNc2cccnn2)CN1 1334794402 MCOOMLWVUKMGBP-QMMMGPOBSA-N 249.274 -0.164 50 20 BBGD CCC(C)(C)C(=O)NNC(=O)C(=O)NC1CC1 102634016 UOVFZPXIVDHQPA-UHFFFAOYSA-N 241.291 -0.151 50 20 BBGD NC(=O)NN=Cc1cccc(C=NNC(N)=O)c1 245265715 HHCFXIUFAASBHS-UHFFFAOYSA-N 248.246 -0.309 50 20 BBGD CC(C)[C@@H](O)C(=O)NNC(=O)c1ccccn1 285266183 VNOGSHRNPCOHST-SECBINFHSA-N 237.259 -0.141 50 20 BBGD CCC(=O)N1CCCC[C@@H]1C(=O)NNC(C)=O 299207042 CSSOAAAHJQPQHR-SECBINFHSA-N 241.291 -0.055 50 20 BBGD C[C@@H](C[C@@H](C)O)NCc1cccc(B(O)O)c1 585033754 BEQMFJOEWGNZPJ-VHSXEESVSA-N 237.108 -0.385 50 20 BBGD OB(O)c1ccccc1CNC[C@H]1[C@@H]2COC[C@H]12 585040073 FHUPSVOOFKSXMM-CNDDSTCGSA-N 247.103 -0.652 50 20 BBGD OB(O)c1ccccc1CNCCc1cn[nH]c1 585041937 XLJIXINJCKPYBK-UHFFFAOYSA-N 245.091 -0.578 50 20 BBGD Cc1cc(C(=O)NCB(O)O)c2nccn2c1 585063252 VFSPBXCUMKYIGD-UHFFFAOYSA-N 233.036 -0.615 50 20 BBGD C#Cc1ccc(C(=O)NNC(C)=O)cn1 728958396 ILJVXWRZMXABDW-UHFFFAOYSA-N 203.201 -0.156 50 20 BBGD COC[C@](C)(O)C(=O)NNc1cccnn1 753090657 UIYMHHHQGHHYRU-VIFPVBQESA-N 226.236 -0.683 50 20 BBGD CC[C@@H](C(=O)NNC(=O)C1CC1)N(C)C 764395412 JRNCMIDIMLIVFR-QMMMGPOBSA-N 213.281 -0.116 50 20 BBGD CC1(C(=O)NNC(=O)NC2CC2)COC1 782593021 DOFIOBYKKLWXLY-UHFFFAOYSA-N 213.237 -0.484 50 20 BBGD O=C(NNC(=O)[C@@H]1CCCCO1)[C@H]1CCOC1 792620824 FIAUEFQFWCPILR-IUCAKERBSA-N 242.275 -0.261 50 20 BBGD C[C@@H](CO)N(C)NC(=O)C1(O)CCCC1 823947122 SOUOVLGMSFXHJO-QMMMGPOBSA-N 216.281 -0.365 50 20 BBGD CCN1CCN(S(=O)(=O)CCl)CC1=O 831097176 UFBVDNGHMIWIAT-UHFFFAOYSA-N 240.712 -0.323 50 20 BBGD Cn1cc([C@@H](O)C(=O)NN=c2cc[nH]cc2)cn1 857482328 ABYKODSRVUFJGY-SNVBAGLBSA-N 247.258 -0.586 50 20 BBGD CC1(C)OCCC1=NNC(=O)[C@H]1CCC(=O)N1 863150602 XPSYHOUYIOSIMR-SSDOTTSWSA-N 239.275 -0.064 50 20 BBGD C#C[C@@H](CC)NCc1ccc(B(O)O)cc1 863890593 ZQGYAEBBXBEVNT-LBPRGKRZSA-N 217.077 -0.132 50 20 BBGD COCCOCC(=O)NNC(=O)CC1(C)CC1 869906859 UGEUHDYXIDGZPB-UHFFFAOYSA-N 244.291 -0.013 50 20 BBGD C[C@@H](O)CN(C)NC(=O)[C@](C)(O)C1CCC1 910146965 HOSXRCRXVZGOTC-LDYMZIIASA-N 230.308 -0.119 50 20 BBGD CC[C@@](C)(O)C(=O)NNC(=O)C1CC1 929231788 KTDSEAUZGMPNMU-SECBINFHSA-N 200.238 -0.295 50 20 BBGD CC(C)C1(C(=O)NNC(=O)C(C)(C)O)COC1 935561645 BEAKOEXCLARLMP-UHFFFAOYSA-N 244.291 -0.423 50 20 BBGD CCC(=NNC(=O)C(N)=O)C1CCOCC1 1252349589 OKFAWUAOUIAGKP-UHFFFAOYSA-N 227.264 -0.220 50 20 BBGD CC(C)n1ncc(C(=O)NN(C)C(N)=O)c1N 1321644019 ZYZCSYVRYXLBEB-UHFFFAOYSA-N 240.267 -0.299 50 20 BBGD CCn1ccnc1C=NNC(=O)[C@H]1CCC(=O)N1 1329190230 CRPBSZXUXFNQQY-MRVPVSSYSA-N 249.274 -0.368 50 20 BBGD COC(=O)N(C)NC(=O)NOC[C@@H]1CCOC1 1330435504 BFHDJYSMCNUMNR-SSDOTTSWSA-N 247.251 -0.133 50 20 BBGD CNC(=O)CCCCC(=O)NN(C)[C@@H](C)CO 1330881228 ZSYGPLSDAPXZTF-VIFPVBQESA-N 245.323 -0.363 50 20 BBGD C=C(C)CNC(=S)NNC(=O)c1ncon1 1333873914 MOUGNWCNLAKNKY-UHFFFAOYSA-N 241.276 -0.245 50 20 BBGD COCCCNC(=O)NNC(=O)[C@@H]1C[C@H]1F 1347395522 PWHYCQBDOAFUGG-RNFRBKRXSA-N 233.243 -0.289 50 20 BBGD CC(=NNC(=O)C(N)=O)c1csc(N)n1 308835682 LDGGVUWOBYEXEZ-UHFFFAOYSA-N 227.249 -0.949 50 20 BBGD CNC(=O)NNC(=O)/C=C\C1CCOCC1 491886254 RAEDUEOYGKDYQX-IHWYPQMZSA-N 227.264 -0.071 50 20 BBGD COC(=O)NNC(=O)C[C@@](C)(O)C1CC1 495325923 CRTSTPKHNMKSIL-SECBINFHSA-N 216.237 -0.075 50 20 BBGD CCO[C@H]1C[C@H]1NC(=O)c1cccc(B(O)O)c1 584981921 JLFXLJBMIINFGJ-MNOVXSKESA-N 249.075 -0.726 50 20 BBGD C[C@H](NCc1ccccc1B(O)O)[C@H]1CCOC1 585026204 DBHGKDXOHNXDKI-JQWIXIFHSA-N 249.119 -0.119 50 20 BBGD COCc1ccc(C(=O)NCB(O)O)cc1 585057720 JTDYVQRXOLTXQG-UHFFFAOYSA-N 223.037 -0.425 50 20 BBGD COc1ccc(C)cc1CC(=O)NCB(O)O 585060706 IOYLNGBUQYQYHX-UHFFFAOYSA-N 237.064 -0.326 50 20 BBGD O=C(CCn1cnc2ccccc21)NCB(O)O 585061351 QKGRXFADBLUIMK-UHFFFAOYSA-N 247.063 -0.445 50 20 BBGD O=C(Cn1ccccc1=O)NN=c1cc[nH]cc1 780761967 QUFWOXGYCGIONM-UHFFFAOYSA-N 244.254 -0.192 50 20 BBGD CCOCC(=O)NNC(=O)N1CCN(C)CC1 788166218 JZYHOWMAWJEHGP-UHFFFAOYSA-N 244.295 -0.989 50 20 BBGD CN(C)c1ncc(C=NNC(N)=O)n1C 811628831 NODANBYZYDNJOT-UHFFFAOYSA-N 210.241 -0.512 50 20 BBGD CCC[C@H](O)C(=O)NNC(=O)[C@H]1CCO[C@H]1C 823476524 ZVDNNTHXDNQPKW-CIUDSAMLSA-N 244.291 -0.280 50 20 BBGD C[C@H](CO)N(C)NC(=O)Cn1ccccc1=O 823988993 ZBNGQCUNTJGVJU-SECBINFHSA-N 239.275 -0.808 50 20 BBGD C[C@H]1OCC[C@@H]1C(=O)NN=Cc1cnon1 842550044 UXHKIEKWOBJPEG-SVRRBLITSA-N 224.220 -0.055 50 20 BBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1ccon1 843649570 VQSGZTLNTYUTQT-NKWVEPMBSA-N 239.231 -0.139 50 20 BBGD NC(=O)C(=O)NN=C[C@@H]1CC1(Cl)Cl 853260474 VTPJLJRRKDKSEU-VKHMYHEASA-N 224.047 -0.233 50 20 BBGD CCO[C@H](CC)C(=O)NNC(=O)c1cc[nH]n1 855359337 NWRAOICKQOCEIV-MRVPVSSYSA-N 240.263 -0.014 50 20 BBGD CCN(C(=O)CCl)[C@H]1CC(=O)NC1=O 1341510005 WWDYHBHRDODBMB-YFKPBYRVSA-N 218.640 -0.511 50 20 BBGD N#CCCNC(=O)NNC(=O)Cc1ccncc1 1344004198 UPVHDVIXLKYGCL-UHFFFAOYSA-N 247.258 -0.132 50 20 BBGD O=C(NNC(=O)[C@H]1C[C@H]1F)c1ncccn1 1349631834 DQZZVIUQPZUVHO-NTSWFWBYSA-N 224.195 -0.404 50 20 BBGD CCOCC(=O)NN[C@H](CC)C(=O)O 1596862600 ZLZQWVMXFRKMAE-ZCFIWIBFSA-N 204.226 -0.493 50 20 BBGD O=C(NNC(=O)C(=O)O)NC1CC(F)(F)C1 1601553260 ZMLVBKWHKLVMII-UHFFFAOYSA-N 237.162 -0.801 50 20 BBGD CC(C)(O)CNCc1cccc(B(O)O)c1 585023574 NCDBKEYIRSULJI-UHFFFAOYSA-N 223.081 -0.773 50 20 BBGD OB(O)c1ccc(CNCCC2CC(O)C2)cc1 585038403 CWJSGYUKAUNBSH-UHFFFAOYSA-N 249.119 -0.383 50 20 BBGD C=CCC[C@H](CO)NCc1ccc(B(O)O)cc1 585044292 DWZGCLUXWVJHCS-CYBMUJFWSA-N 249.119 -0.217 50 20 BBGD CCONC(=O)NNC(=O)Cc1ccncc1 747491181 QHLSMDYXWLKPJT-UHFFFAOYSA-N 238.247 -0.094 50 20 BBGD C[C@H](OC[C@@H]1CCCO1)C(=O)NN(C)C(N)=O 770436874 ZMHRROUWCNHHSV-YUMQZZPRSA-N 245.279 -0.388 50 20 BBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@H](C)OC 772039699 QLCXFIUFZSFENP-RQJHMYQMSA-N 246.263 -0.490 50 20 BBGD CON=CC(=O)NNc1nccnc1OC 774465380 JKSLCLITPOXVES-UHFFFAOYSA-N 225.208 -0.440 50 20 BBGD Cn1nncc1NC(=O)NNc1cnccn1 809909735 IGQYBWSUYQESIQ-UHFFFAOYSA-N 234.223 -0.246 50 20 BBGD COC[C@H](OC)C(=O)NNC(=O)C(C)(C)C 822244502 LQKVHDQYWAJUFJ-ZETCQYMHSA-N 232.280 -0.159 50 20 BBGD CCN(CCO)NC(=O)[C@@H](O)C(C)C 823884996 RKHNFCNEXYCKHA-QMMMGPOBSA-N 204.270 -0.651 50 20 BBGD O=C1NCC[C@H]1C(=O)NNc1ncccc1F 854415416 IHBFEPPLJIDIBV-ZCFIWIBFSA-N 238.222 -0.200 50 20 BBGD CC[C@H](C)C(=O)NNC(=O)CS(C)(=O)=O 863459469 TXMQQXVRAFVWOP-LURJTMIESA-N 236.293 -0.776 50 20 BBGD C[C@@H]1O[C@H](C)[C@@H](C(=O)NNC(=O)CO)[C@H]1C 863903826 VCZYQYVVXIRGQX-LKHWLPBLSA-N 230.264 -0.814 50 20 BBGD CS[C@@H](C)C(=O)NNC(=O)c1cccnn1 882059033 GXDOGOROOWGMQX-LURJTMIESA-N 240.288 -0.011 50 20 BBGD CC[C@H](CO)C(=O)NNC(=O)[C@@H]1CCCCO1 908517795 QNDZIHSCJRQMFC-BDAKNGLRSA-N 244.291 -0.279 50 20 BBGD O=S(=O)(CCl)NCCO[C@@H]1CCOC1 921884012 MUIYAEPTJAWIQT-SSDOTTSWSA-N 243.712 -0.092 50 20 BBGD Cc1cc(C(=O)NNc2nnc(C)c(O)n2)n[nH]1 1115861983 QFRCYFCTUJCGCH-UHFFFAOYSA-N 249.234 -0.326 50 20 BBGD C#CCCCC(=O)NNC(=O)Cn1cncn1 1119910665 AZBROCBEGGFDKE-UHFFFAOYSA-N 235.247 -0.771 50 20 BBGD CCO/C=C(\C#N)C(=O)N[C@@H](CO)C(=O)OC 1136109913 QKRWFFSOZOWLJC-CZEYKFRCSA-N 242.231 -0.920 50 20 BBGD CNC(=O)NNC(=O)c1ccc(C#N)cn1 1318347698 MSZUJQNSQOLFHO-UHFFFAOYSA-N 219.204 -0.473 50 20 BBGD NC(=O)C(=O)NN=C1CCC12CCOCC2 1321189077 FCTRTDLSPZYVMT-UHFFFAOYSA-N 225.248 -0.466 50 20 BBGD O=C(C[C@H]1CCCO1)N1CC[C@@H](B(O)O)C1 1335431468 JYKZGNDTZONVIT-RKDXNWHRSA-N 227.069 -0.369 50 20 BBGD CC(=O)NNC(=O)CCc1nc(N(C)C)no1 1343129316 SJZPSFBZDDRKTF-UHFFFAOYSA-N 241.251 -0.765 50 20 BBGD CC(C)(C)[C@@H](C(=O)O)C(=O)NNc1nc[nH]n1 1602853104 MIJZSWQORFCYGE-RXMQYKEDSA-N 241.251 -0.005 50 20 BBGD CC[C@H](C)C(=O)NNC(=O)CN(C)C 75653813 YQKDYHLPYIDHTI-ZETCQYMHSA-N 201.270 -0.259 50 20 BBGD O=C(NNC(=O)c1ccc[nH]1)c1ccnnc1 129239732 OUVLZJVUPZRDGA-UHFFFAOYSA-N 231.215 -0.121 50 20 BBGD COC(=O)C1(C(=O)NNc2cnccn2)CC1 274783798 YOKAZPWKHJEEBD-UHFFFAOYSA-N 236.231 -0.127 50 20 BBGD CCCNC(=O)NNC(=O)CN(C)C(=O)OC 490833582 ZHVCENWPYDOVOL-UHFFFAOYSA-N 246.267 -0.575 50 20 BBGD COCCCS(=O)(=O)NN(C)C(=O)OC 497156743 ZZNNCXHTHKRDQN-UHFFFAOYSA-N 240.281 -0.445 50 20 BBGD C[C@H](O)C1(NC(=O)c2ccc(B(O)O)cc2)CC1 585006323 TZUUPORESLTJLN-QMMMGPOBSA-N 249.075 -0.990 50 20 BBGD O=C(NCB(O)O)[C@@H]1Cc2cc(F)ccc2O1 585060156 NQLXIZWLMHTPFX-VIFPVBQESA-N 239.011 -0.743 50 20 BBGD Cc1ccnc(N2CC[C@H](B(O)O)C2)n1 585074105 SVAQMMTXRXMTLZ-QMMMGPOBSA-N 207.042 -0.162 50 20 BBGD C[C@H]1CN(C)CC1=NNC(=O)C(=O)NC1CC1 752162679 GTOZROCFJIAPEW-ZETCQYMHSA-N 238.291 -0.681 50 20 BBGD CC(C)C(=O)NNC(=O)c1ccc2nnnn2c1 758156678 AZNXTUJCUKSWFW-UHFFFAOYSA-N 248.246 -0.459 50 20 BBGD CNC(=O)NNC(=O)Cc1ccc(O)cc1 762061972 SWYPZSWEIYRGJI-UHFFFAOYSA-N 223.232 -0.105 50 20 BBGD CN(C)C(=O)NNC(=O)c1ccn(C)c1 763313812 VNJCXLYDHQFPPI-UHFFFAOYSA-N 210.237 -0.059 50 20 BBGD CN(C)CC(=O)NNC(=O)Nc1ccnn1C 775753166 PLHQTTJBEWGXHU-UHFFFAOYSA-N 240.267 -0.866 50 20 BBGD NC(=O)CCCC(=O)NNC(=O)c1ccc[nH]1 786731415 XUTXHRLPJDWKTO-UHFFFAOYSA-N 238.247 -0.569 50 20 BBGD CC[C@]1(C(=O)NN(C)[C@H](C)CO)CCNC1=O 823901770 GSRSCRAZUGHTQT-KCJUWKMLSA-N 243.307 -0.754 50 20 BBGD COCC(=O)NN=Cc1cnc(C)n1C 853318785 RZRRZVVOKHVKQN-UHFFFAOYSA-N 210.237 -0.175 50 20 BBGD C[C@]1(CNS(N)(=O)=O)C[C@H]1Br 856757366 YAWVNMGECOOKRO-RFZPGFLSSA-N 243.126 -0.047 50 20 BBGD CS[C@@H](C)C(=O)NNC(=O)[C@H]1CCC(=O)N1 862450896 CYYLUHVYHDTFSO-NTSWFWBYSA-N 245.304 -0.836 50 20 BBGD CN(C)C1(C(=O)NNC(=O)c2cn[nH]c2)CC1 862469260 DPIGWMWZIUAGEI-UHFFFAOYSA-N 237.263 -0.735 50 20 BBGD CCCNC(=O)NNC(=O)Cc1cnc[nH]1 900396487 ZTWRBGFSOUKRFB-UHFFFAOYSA-N 225.252 -0.307 50 20 BBGD C#CCSCC(=O)NNC(=O)N(C)C 900428802 YACINNWPOYPBQN-UHFFFAOYSA-N 215.278 -0.345 50 20 BBGD CCOC(=O)NNC(=O)[C@H]1CCCC(=O)N1C 905072444 ZCQGSBIGSDJNGD-SSDOTTSWSA-N 243.263 -0.225 50 20 BBGD CCNC(=S)NNC(=O)c1cc(C)[nH]n1 917906712 IJRLSAWLJIFTOO-UHFFFAOYSA-N 227.293 -0.153 50 20 BBGD C[C@@H]1OCC[C@H]1C(=O)NNc1cnnn1C 1327873938 LNOPIGQCQJHWSZ-NKWVEPMBSA-N 225.252 -0.317 50 20 BBGD C[C@H](CO)N(C)NC(=O)CCc1cncn1C 1336011099 OGYQCRRFYQCOBV-SECBINFHSA-N 240.307 -0.304 50 20 BBGD O=C(NCC1CC1)NNC(=O)c1cncnc1 1337874558 VTMLFOZZARHIGA-UHFFFAOYSA-N 235.247 -0.169 50 20 BBGD C[C@@H](NC(=O)c1ccc(B(O)O)cc1)C(F)F 1548717380 PGSFVKUGGKZUSO-ZCFIWIBFSA-N 243.018 -0.250 50 20 BBGD C[C@@H](C(=O)NNC(=O)NCCN)n1cccc1 1575070353 YGJSSLFWQNPYGQ-QMMMGPOBSA-N 239.279 -0.662 50 20 BBGD C[C@@](C#N)(CC(=O)O)C(=O)NNc1nc[nH]n1 1602782074 OZZPDUCZGDFYKA-QMMMGPOBSA-N 238.207 -0.748 50 20 BBGD O=C(NNC(=O)C1(C(=O)O)CC1)c1ccoc1 1605814832 VXJNNNOASMPGNA-UHFFFAOYSA-N 238.199 -0.095 50 20 BBGD O=C(COc1ccccc1)NCB(O)O 169879815 XAHKSVPAWHRDKV-UHFFFAOYSA-N 209.010 -0.806 50 20 BBGD CN(C)CC(=O)NNC(=O)c1cccnc1F 287780446 RBHRJHOHPTYHAJ-UHFFFAOYSA-N 240.238 -0.457 50 20 BBGD C#CCO[C@@H](C)C(=O)NN(C)C(=O)NCC 296995162 FPAXHLRYEVGKFH-QMMMGPOBSA-N 227.264 -0.283 50 20 BBGD OCC[C@H](NCc1cccc(B(O)O)c1)C1CC1 585025556 XBGJRHREAFYYTD-ZDUSSCGKSA-N 249.119 -0.383 50 20 BBGD Cc1ccc(C(=O)NCB(O)O)c(C)n1 585060010 JICMDUJBZROPQH-UHFFFAOYSA-N 208.026 -0.560 50 20 BBGD C[C@@H]1CCCC[C@H]1OCC(=O)NCB(O)O 585060071 LWXSBWYDMWNICC-RKDXNWHRSA-N 229.085 -0.290 50 20 BBGD O=C(O)c1cccnc1N1CC[C@@H](B(O)O)C1 585078376 CTEDUJALVCDLMG-SSDOTTSWSA-N 236.036 -0.167 50 20 BBGD CCNC(=O)NNC(=O)[C@@H](CC)OC 743900698 BVQCFOMXUNHECJ-ZCFIWIBFSA-N 203.242 -0.238 50 20 BBGD CNC(=O)C1(C(=O)NNC(=O)OC)CCC1 765835225 DQUCJJFQDVLJTH-UHFFFAOYSA-N 229.236 -0.710 50 20 BBGD O=C1C[C@@H](C(=O)NN=c2cc[nH]cc2)CCN1 780761544 VFVRFCFSWRMFBK-QMMMGPOBSA-N 234.259 -0.527 50 20 BBGD C=C[C@@H](NNC(=O)c1ccc[nH]1)C(=O)OC 799977468 WUJOJZCUPMKNGQ-SSDOTTSWSA-N 223.232 -0.023 50 20 BBGD CC(C)(C)O[C@@H]1C[C@H]1C(=O)NNC(=O)CO 857170717 SGBMKZYYILYTBB-RNFRBKRXSA-N 230.264 -0.670 50 20 BBGD Cn1c(C(=O)NNC(=O)C2CCC2)cnc1O 865701899 ROXWZFWSRKZERV-UHFFFAOYSA-N 238.247 -0.313 50 20 BBGD CCc1cc(C(=O)NNC(=O)OC)n(C)n1 878000243 FMKLPUQEGDTENT-UHFFFAOYSA-N 226.236 -0.017 50 20 BBGD NC(=O)C(=O)NN=Cc1ccc(F)cc1F 916272509 YYIJGKJKYVPLCE-UHFFFAOYSA-N 227.170 -0.100 50 20 BBGD CN1CC[C@@H]1CNC(=O)NNc1cccnn1 925407445 SLFSHQNYFZHACX-MRVPVSSYSA-N 236.279 -0.193 50 20 BBGD CC(=O)NNC(=O)[C@@H]1CCC[C@H](C(N)=O)C1 1326145906 NXPARMCPUHXUCX-JGVFFNPUSA-N 227.264 -0.555 50 20 BBGD CN(NC(=O)c1ccc(C(N)=O)s1)C(N)=O 1337366815 WUVGAQBXXPEGNL-UHFFFAOYSA-N 242.260 -0.498 50 20 BBGD CC[C@@H](CN1CCOCC1)NC(=O)NN 1346569402 IRFMPOMIQBQJMX-QMMMGPOBSA-N 216.285 -0.730 50 20 BBGD CCNC(=O)NNC(=O)C[C@H](N)C(F)F 1577793978 YKTBLGDWQKETDM-BYPYZUCNSA-N 224.211 -0.681 50 20 BBGD CO[C@H](C)CCC(=O)NNC(=O)CN(C)C 180799556 ODOICJYVGOQHNN-MRVPVSSYSA-N 231.296 -0.490 50 20 BBGD Cc1cc(C)n(CC(=O)NNC(=O)N(C)C)n1 193160371 CXMWMFWLMCSGJS-UHFFFAOYSA-N 239.279 -0.198 50 20 BBGD CSCCNC(=S)NNC(=O)[C@@H](C)O 271399077 JWQKGZIRPGWSPX-RXMQYKEDSA-N 237.350 -0.775 50 20 BBGD CC(C)[C@H](O)C(=O)NNC(=O)N(C)C 291458546 HVOVYUJORPEUMI-LURJTMIESA-N 203.242 -0.694 50 20 BBGD O=C(NNC(=O)N1CCOCC1)c1ccc[nH]1 298332316 GSZJVRGXDMUTEY-UHFFFAOYSA-N 238.247 -0.299 50 20 BBGD C[C@@H]1COCCN1C(=O)c1cccc(B(O)O)c1 584931530 YQRZTUOJJCQFAH-SECBINFHSA-N 249.075 -0.773 50 20 BBGD CC(C)[C@@H]1OCCC[C@@H]1C(=O)NCB(O)O 585063217 UDCHYVIDHPFSJE-IUCAKERBSA-N 229.085 -0.434 50 20 BBGD CC[C@@H](OC)C(=O)NNC(=O)NCCCOC 743900687 BFQMXPFJYKGVLW-MRVPVSSYSA-N 247.295 -0.222 50 20 BBGD CN(C)C(=O)NNC(=O)C1(O)CCC1 772581924 SCCYOIZSGPNKQZ-UHFFFAOYSA-N 201.226 -0.796 50 20 BBGD CNC(=O)NNC(=O)CCCC(=O)OC 781079261 GDCGAMLVNQYYTP-UHFFFAOYSA-N 217.225 -0.710 50 20 BBGD CCCCNC(=O)NNC(=O)[C@H](C)O 786827958 SZOOVOZGYNESJX-LURJTMIESA-N 203.242 -0.502 50 20 BBGD CN(NC(=O)c1ccc(=O)n(C)n1)C1CC1 819641127 NTVJUJJFWZXAMJ-UHFFFAOYSA-N 222.248 -0.481 50 20 BBGD CCNC(=O)N(C)NC(=O)[C@H]1CC[C@H]1C(N)=O 847686702 ICBVVZASRGAAOK-RQJHMYQMSA-N 242.279 -0.810 50 20 BBGD COCCCNC(=S)N(C)NC(C)=O 854280570 YQHOZUYLZBRXPO-UHFFFAOYSA-N 219.310 -0.120 50 20 BBGD CCC[C@H](OC)C(=O)NNC(=O)c1cc[nH]n1 855355666 DBUGAQYJDPNSDA-QMMMGPOBSA-N 240.263 -0.014 50 20 BBGD CC[C@H](C(=O)NNC(=O)c1cc[nH]n1)[C@@H](C)O 857305549 JGYJQQWIYNYZOP-RQJHMYQMSA-N 240.263 -0.422 50 20 BBGD O=C1N[C@@H](C(=O)NNC(=O)C2CCC2)CCO1 859329006 XIRFEHUBPOKUFW-SSDOTTSWSA-N 241.247 -0.568 50 20 BBGD O=C(NNC(=O)[C@@H]1CCSC1)c1cn[nH]c1 862472056 FALSAEGRXFTJIV-ZCFIWIBFSA-N 240.288 -0.076 50 20 BBGD Cc1cc(=NNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc[nH]1 862515368 SBNUBWDSVONJGC-RKDXNWHRSA-N 236.231 -0.080 50 20 BBGD CC1(C)OCCC1=NNC(=O)[C@@H]1CCC(=O)N1 863150603 XPSYHOUYIOSIMR-ZETCQYMHSA-N 239.275 -0.064 50 20 BBGD Cc1nc(C)c(C(=O)NN(C)[C@H](C)CO)[nH]1 911444300 CYAIAUPYKSVLDQ-ZCFIWIBFSA-N 226.280 -0.016 50 20 BBGD CCN1C[C@H](C(=O)NNC(=O)C(C)C)CC1=O 914881288 IFRZJXXKVMEOJR-MRVPVSSYSA-N 241.291 -0.342 50 20 BBGD CNC(=O)NNC(=S)NCc1ccon1 1116290193 CASVZIFJMUVATI-UHFFFAOYSA-N 229.265 -0.517 50 20 BBGD CCn1nncc1C(=O)NNc1cccnn1 1261243401 CXMYVFQNQCUFSR-UHFFFAOYSA-N 233.235 -0.155 50 20 BBGD Cc1csc(C=NNC(=O)C(N)=O)n1 1319479261 HYHLLTZWPUWWRK-UHFFFAOYSA-N 212.234 -0.613 50 20 BBGD CCNC(=O)NNC(=O)c1cc(CC)n(C)n1 1320100090 XPJXPBHIWMFBIL-UHFFFAOYSA-N 239.279 -0.054 50 20 BBGD CN(NC(=O)c1cnc(C2CC2)[nH]1)C(N)=O 1320708917 UYZAPXAEPIDCIZ-UHFFFAOYSA-N 223.236 -0.058 50 20 BBGD O=C(NNc1nc[nH]n1)c1cccnc1 1326345219 XVJDTVRDDQYUNV-UHFFFAOYSA-N 204.193 -0.043 50 20 BBGD Cc1nc(C)c(C(=O)NNc2nc[nH]n2)[nH]1 1329572333 AUSQZCVHCZKEPO-UHFFFAOYSA-N 221.224 -0.098 50 20 BBGD Cc1n[nH]c(C)c1C=NNC(=O)[C@H]1CCC(=O)N1 1331823253 ZQIYCAPDQOYEHO-SECBINFHSA-N 249.274 -0.245 50 20 BBGD C#CCCCC(=O)NNC(=O)CCc1cnn[nH]1 1342589827 IBJBHJMKFZADSX-UHFFFAOYSA-N 249.274 -0.312 50 20 BBGD C=C[C@@H](NNC(=O)[C@@H]1C[C@H]2CC[C@H]1O2)C(=O)O 1602819258 QXNMLDMQWRUHNJ-FNCVBFRFSA-N 240.259 -0.186 50 20 BBGD CCOC(=O)/C(C#N)=C/N[C@@H](CF)C(=O)O 1605503860 MKHXYBRMGOPPTP-XPPMVYLVSA-N 230.195 -0.031 50 20 BBGD O=C(O)C(=O)NN=C1C(=O)Nc2cc(O)ccc21 1608530745 CUDWDNLDDPOQDA-UHFFFAOYSA-N 249.182 -0.751 50 20 BBGD COc1ccc(C(=O)NNC(C)=O)cn1 23198911 DBDXZHGZXHGRSA-UHFFFAOYSA-N 209.205 -0.129 50 20 BBGD CC(C)CC(=O)NNC(=O)NCC(=O)N(C)C 298637123 DCQWSTASILAGKQ-UHFFFAOYSA-N 244.295 -0.549 50 20 BBGD O=C(N[C@@H]1C=CCC1)c1ccc(B(O)O)c(F)c1 585005515 BQMBBQMDVMHVGF-SECBINFHSA-N 249.050 -0.046 50 20 BBGD OB(O)c1cccc(CNCC2(O)CCCC2)c1 585024621 ZTAYSNMUAUQYDY-UHFFFAOYSA-N 249.119 -0.239 50 20 BBGD CCc1[nH]nc(NCc2ccc(B(O)O)o2)c1C 585031471 VMNOJKNRNHLLEW-UHFFFAOYSA-N 249.079 0.165 50 20 BBGD CC[C@H]1COC[C@H]1NCc1ccc(B(O)O)cc1 585047169 JIGSMGSFEYXVSY-WCQYABFASA-N 249.119 -0.119 50 20 BBGD C=CCCS(=O)(=O)N1CC[C@H](B(O)O)C1 585058714 NOOUPBXFKPYRSA-QMMMGPOBSA-N 233.098 -0.559 50 20 BBGD COC(=O)N(C)CCNS(=O)(=O)CCl 701687440 KXHINSKRJXAUFU-UHFFFAOYSA-N 244.700 -0.200 50 20 BBGD C=C(CO)C(=O)NNC(=O)c1ccccn1 791289185 FMQOLDFGCVFXHC-UHFFFAOYSA-N 221.216 -0.609 50 20 BBGD CCN1CCO[C@@H](C(=O)NN(CC)CCO)C1 823860134 KYAWUJVPQRKTTQ-SNVBAGLBSA-N 245.323 -0.948 50 20 BBGD CCNC(=O)N(C)NC(=O)c1ccc(N)cn1 831944534 BILBVHUVQOJARC-UHFFFAOYSA-N 237.263 -0.030 50 20 BBGD CC[C@H](CO)C(=O)NNC(=O)[C@@H]1CCO[C@H]1C 843970920 MZQPBTCTQJRKQR-DJLDLDEBSA-N 244.291 -0.423 50 20 BBGD CCOCC(=O)NN(C)C(=S)NC 854929378 FTTUETBVCLIJFG-UHFFFAOYSA-N 205.283 -0.510 50 20 BBGD Cc1cccc(NNC(=O)[C@@]2(O)CCOC2)n1 862518234 OGQPNBAHJUSJSG-LLVKDONJSA-N 237.259 -0.015 50 20 BBGD CC(CCCCO)=NNC(=O)[C@H]1CCC(=O)N1 863147817 MPDUNLNYPNAXMR-SECBINFHSA-N 241.291 -0.080 50 20 BBGD CN(C)C1(C(=O)NNC(=O)c2cccnn2)CC1 882058158 DISJERNKZAZMNB-UHFFFAOYSA-N 249.274 -0.668 50 20 BBGD C#CCCCC(=O)NNC(=O)[C@H]1CCN(C)C1 887143082 KRZDJOXNXZIJCG-JTQLQIEISA-N 237.303 -0.111 50 20 BBGD COC(=O)N(C)NC(=O)NCc1cn(C)cn1 898616017 ULBWIMQPUZAXEA-UHFFFAOYSA-N 241.251 -0.168 50 20 BBGD CC(C)C(=O)NNC(=O)c1csnn1 917917749 UGMJFLVFLAVHML-UHFFFAOYSA-N 214.250 -0.045 50 20 BBGD CCNC(=O)NNC(=O)[C@@](C)(O)CC 930734812 RSCMGBNXHTYBMN-QMMMGPOBSA-N 203.242 -0.502 50 20 BBGD O=C(NNC(=O)C1CCC1)c1cc(=O)cc[nH]1 932517473 XUJKWGPZCNVGML-UHFFFAOYSA-N 235.243 -0.064 50 20 BBGD CNC(=O)NNC(=S)NC1CCN(C)CC1 1115891771 BDWWRFYAKKCCPX-UHFFFAOYSA-N 245.352 -0.611 50 20 BBGD CN(C)C(=O)NNC(=O)c1ccccn1 1115915306 ATMQWKXFQQNVPX-UHFFFAOYSA-N 208.221 -0.002 50 20 BBGD CC(=NNC(=O)C(N)=O)c1cc(O)ccc1O 1317718057 UHEKXTDJPHKBBF-UHFFFAOYSA-N 237.215 -0.577 50 20 BBGD COC(=O)C(=O)NNC(=S)NCC(C)C 1318968771 MVRWLQWWTRCIMW-UHFFFAOYSA-N 233.293 -0.689 50 20 BBGD O=C(CO[C@@H]1CCOC1)NNC(=O)C1CCC1 1319361527 PANYTSNMRJKIMK-SECBINFHSA-N 242.275 -0.261 50 20 BBGD CNC(=O)CCCCC(=O)NNC(=O)C1CC1 1321524246 MOMKWPKQEFVMTN-UHFFFAOYSA-N 241.291 -0.150 50 20 BBGD COC(=O)c1ccc(NNC(=O)[C@@H](C)O)nc1 1326161332 MCGRSDDDXPDRIF-ZCFIWIBFSA-N 239.231 -0.308 50 20 BBGD COC/C=C/C(=O)NNC(=O)C1CCOCC1 1332796707 FZRJBTPOCJCARE-NSCUHMNNSA-N 242.275 -0.237 50 20 BBGD Cc1cc(C)nc(NNC(=O)C[C@H](O)CN)n1 1579590177 IEXBXYFQPMWCDI-QMMMGPOBSA-N 239.279 -0.754 50 20 BBGD CON1CCC(=NNC(=O)NCC(=O)O)CC1 1599318536 MSCKXVDEGZPMBL-UHFFFAOYSA-N 244.251 -0.617 50 20 BBGD COC(=O)[C@@H](CCC(=O)O)NC=C(C#N)C#N 1606505787 YTANEMNAVSAZSG-MRVPVSSYSA-N 237.215 -0.087 50 20 BBGD Cc1ccc(C(=O)NNC(=O)C(C)(C)O)n1C 190051186 VYZDZOYXGWGHGY-UHFFFAOYSA-N 239.275 -0.135 50 20 BBGD CC[C@@H](O)CNS(=O)(=O)CCl 230027209 NPGRUCMRFUKKPW-RXMQYKEDSA-N 201.675 -0.127 50 20 BBGD COC(=O)C[C@@H](C)C(=O)NN(C)C(N)=O 272163251 IBYZENJOQDAWDN-RXMQYKEDSA-N 217.225 -0.773 50 20 BBGD Cc1cc(C(=O)NNC(=O)CC(C)(C)O)[nH]n1 281778954 ZUBBGOSTYATWNL-UHFFFAOYSA-N 240.263 -0.360 50 20 BBGD COC(=O)NCCC(=O)NNC(=O)C(C)(C)C 491255266 KMLLIOQAMUKWIN-UHFFFAOYSA-N 245.279 -0.074 50 20 BBGD C#CCN(C)[C@H](C)C(=O)NNC(=O)CC 491304100 DAYCJFKGOSNNLK-MRVPVSSYSA-N 211.265 -0.503 50 20 BBGD OB(O)c1ccc(CNC[C@@H]2CCC[C@H]2O)o1 585044908 XAULGFFJOGHXDV-WCBMZHEXSA-N 239.080 -0.790 50 20 BBGD O=C(COCc1ccccc1)NCB(O)O 585058002 QFQMUQLBXPCKAG-UHFFFAOYSA-N 223.037 -0.669 50 20 BBGD O=C(NCB(O)O)c1ccc2ncccc2c1 585061198 MWQSXKOUJHLPTQ-UHFFFAOYSA-N 230.032 -0.023 50 20 BBGD CN1CC[C@@H](C(=O)NNC(=O)C2CC2)C1 729283958 YZBVAQVNJFABOB-MRVPVSSYSA-N 211.265 -0.505 50 20 BBGD NC(=O)CCCC(=O)NNC(=O)NCC1CC1 787202754 UMPDGDRBSQOFFK-UHFFFAOYSA-N 242.279 -0.618 50 20 BBGD CC(=O)NNC(=O)c1cnc2[nH]c(O)nc2c1 809547382 MLUOSHSEUMONLJ-UHFFFAOYSA-N 235.203 -0.556 50 20 BBGD COCCC(C)=NNC(=O)C(=O)NC1CC1 814778212 VPSNYAWGJKWRFR-UHFFFAOYSA-N 227.264 -0.206 50 20 BBGD CC[C@@H](C)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862450776 ASKFZDWJTSUCNA-RQJHMYQMSA-N 227.264 -0.542 50 20 BBGD CC/C=C(/C)C(=O)NNC(=O)CS(C)(=O)=O 863460300 RJAWVVPYANZYNP-ALCCZGGFSA-N 248.304 -0.465 50 20 BBGD OB(O)c1ccc(CN[C@H]2CCC[C@@H]2O)cc1 877700670 SOJUYRHYTCUFDI-RYUDHWBXSA-N 235.092 -0.631 50 20 BBGD CCNC(=O)NNC(=O)[C@@]1(OC)CCSC1 900385586 CQGJUXWCCXKRQX-SECBINFHSA-N 247.320 -0.141 50 20 BBGD CNC(=O)NNC(=O)c1cccnc1OC 919879089 ALIUWALWCVMUNM-UHFFFAOYSA-N 224.220 -0.336 50 20 BBGD CN(NC(=O)Nc1nnn(C)n1)C1CC1 932255006 UATLTYLQERHVRB-UHFFFAOYSA-N 211.229 -0.659 50 20 BBGD CCNC(=O)NNC(=O)c1ccn(C)n1 1251538621 ADFCBHHJJMKIGM-UHFFFAOYSA-N 211.225 -0.616 50 20 BBGD CCOC(=O)NNC(=O)CO[C@@H]1CCOC1 1252537818 NTBBMPQRUZLLPX-SSDOTTSWSA-N 232.236 -0.431 50 20 BBGD COc1ccnc(C(=O)NNc2cnnn2C)c1 1261758663 GCLFZYGKNZNEGW-UHFFFAOYSA-N 248.246 -0.024 50 20 BBGD COCC(=NNC(=O)CCO)C1CCOCC1 1320494301 MMRPAWZDBXMCCM-UHFFFAOYSA-N 244.291 -0.086 50 20 BBGD CCO/C=C(/C#N)C(=O)NCCOCC(N)=O 1324336492 VVVGKRQHOBEMGV-VURMDHGXSA-N 241.247 -0.952 50 20 BBGD CN(C)c1ccncc1C=NNC(=O)C(=O)O 1598348499 QYPZPXRSWXLJDK-UHFFFAOYSA-N 236.231 -0.318 50 20 BBGD CN1CCO[C@@H](CNC(=O)[C@@H](F)Cl)C1 2088605368 WEBYAFJPEYUGMT-NKWVEPMBSA-N 224.663 -0.032 50 20 BBGD CCOCC(=O)NNC(=O)c1cccnc1 125566142 KOGZMQSGVUJCFL-UHFFFAOYSA-N 223.232 -0.121 50 20 BBGD O=C(NNC(=O)c1cnns1)c1ccc[nH]1 194225614 LNVFYNVUBVDNNA-UHFFFAOYSA-N 237.244 -0.059 50 20 BBGD CCO/C=C(\C#N)C(=O)N1CC(=O)N[C@@H](C)C1 296968641 KKNRSWCVBLZLSZ-INTFFVIUSA-N 237.259 -0.223 50 20 BBGD O=S(=O)(CCl)N1CCC(O)(CO)CC1 307249884 KPSSLHOJSDONCO-UHFFFAOYSA-N 243.712 -0.668 50 20 BBGD CNCC(=O)NNc1nncc(N)c1Cl 381411109 SSJAWGFMYKYAJZ-UHFFFAOYSA-N 230.659 -0.625 50 20 BBGD CN(C)C1(CNCc2ccc(B(O)O)o2)CC1 585047618 DXKVQCLQBDRFDM-UHFFFAOYSA-N 238.096 -0.857 50 20 BBGD C=CCOCCNCc1ccc(B(O)O)cc1 585049953 NHBFZLVSGTYLMD-UHFFFAOYSA-N 235.092 -0.341 50 20 BBGD O=C(NCB(O)O)c1cccc2ccc(O)nc12 585063404 YQUSLDCUDKTRBY-UHFFFAOYSA-N 246.031 -0.318 50 20 BBGD CNC(=O)NNC(=O)Cn1cc2ccccc2n1 748528692 INYPIBORMHFOKK-UHFFFAOYSA-N 247.258 -0.004 50 20 BBGD C[C@H](OC[C@H]1CCCO1)C(=O)NN(C)C(N)=O 770436871 ZMHRROUWCNHHSV-JGVFFNPUSA-N 245.279 -0.388 50 20 BBGD O=C1CC[C@H](C(=O)NN=c2cc[nH]cc2)CN1 780754924 JTJXZPXMDSZWOQ-QMMMGPOBSA-N 234.259 -0.527 50 20 BBGD CCN(CCO)NC(=O)Cc1ccncc1 823842739 VZKRBEOHOROSBX-UHFFFAOYSA-N 223.276 -0.031 50 20 BBGD CCC(=O)NNC(=O)[C@@H](C)N(C)CC(C)(C)N 852754064 NWQYKQVSYOSMSV-MRVPVSSYSA-N 244.339 -0.399 50 20 BBGD CCNC(=O)N(C)NC(=O)[C@](C)(OC)C(=O)O 852942834 NCYDNIPFOYKJEE-VIFPVBQESA-N 247.251 -0.831 50 20 BBGD CCC(=O)NNC(=S)N[C@H](C)COC 913514858 QZBOUEYUHYOKRP-ZCFIWIBFSA-N 219.310 -0.073 50 20 BBGD C#CCCCC(=O)NNC(=O)CNC(C)=O 1335330660 HEVWMXQASDJXSF-UHFFFAOYSA-N 225.248 -0.927 50 20 BBGD COC(=O)N(C)NC(=O)C[C@]1(O)CCCNC1 1578822386 BZBGWPKVEIDBPL-SNVBAGLBSA-N 245.279 -0.780 50 20 BBGD CCOCC(=O)NNC(=O)c1ccc[nH]1 102491214 UHXDJRSCDKPWBR-UHFFFAOYSA-N 211.221 -0.188 50 20 BBGD OB(O)c1ccc(CNCCCn2cccn2)o1 585018501 WSODZJJITRVZLI-UHFFFAOYSA-N 249.079 -0.664 50 20 BBGD CS[C@@H]1CC[C@@H]1NCc1ccc(B(O)O)o1 585029604 AYYPZULNGRMRMG-DTWKUNHWSA-N 241.121 -0.057 50 20 BBGD N#Cc1ccc(C(=O)NNC(=O)NC2CC2)[nH]1 751712511 HNNAZPVBFOVQJX-UHFFFAOYSA-N 233.231 -0.007 50 20 BBGD CCOCC(=O)NNC(=O)Nc1ccn(C)n1 756294135 LXVPBDIKRKPGEX-UHFFFAOYSA-N 241.251 -0.391 50 20 BBGD CN(NC(=O)[C@H](NC(N)=O)C(C)(C)C)C(N)=O 774090478 HKAGUOZXXYFWMD-YFKPBYRVSA-N 245.283 -0.889 50 20 BBGD C[C@H]1CCC[C@H](OCC(=O)NNC(=O)CO)C1 777782757 MOFZJAJTEIPXFN-IUCAKERBSA-N 244.291 -0.279 50 20 BBGD O=C(CO)NNC(=O)Cc1ccc(Cl)cn1 807199242 VUXRCTGYJVCMLG-UHFFFAOYSA-N 243.650 -0.583 50 20 BBGD C[C@H](C(=O)NN=c1cc[nH]cc1)N(C)C 821788404 PEXTZLZLAHFADR-MRVPVSSYSA-N 208.265 -0.103 50 20 BBGD CC[C@](C)(O)C(=O)NN(C)[C@@H](C)CO 823384721 SEKRMMILLDREAP-CBAPKCEASA-N 204.270 -0.509 50 20 BBGD CCC1(C(=O)NN(C)[C@H](C)CO)COC1 823947231 UVACZOFYPNBSCX-MRVPVSSYSA-N 216.281 -0.243 50 20 BBGD C[C@@H]1CN(C)CC1=NNC(=O)NCC(=O)O 833627775 ULNJPQGJXQKNSQ-ZCFIWIBFSA-N 228.252 -0.692 50 20 BBGD C=C[C@@H](NNC(=O)[C@H]1CCCCO1)C(=O)OC 842150291 CJQJXCPGCFMSCU-RKDXNWHRSA-N 242.275 -0.096 50 20 BBGD N[C@H]1C[C@@H](C(=O)NNc2ncccn2)C1 843382942 UFPAZIGXJWBOMQ-KNVOCYPGSA-N 207.237 -0.343 50 20 BBGD CC(=O)N[C@@H](CCC(C)C)C(=O)NN 852772812 PGLZZQFGHCOGBE-QMMMGPOBSA-N 201.270 -0.083 50 20 BBGD CN(C)C1(C(=O)NNC(=O)c2ccc[nH]2)CC1 854278493 WWDJPANCNFJAIQ-UHFFFAOYSA-N 236.275 -0.130 50 20 BBGD C[C@H](C(=O)NNC(=O)N1CCOCC1)N(C)C 874248344 OWTOSVQKIBEIHY-MRVPVSSYSA-N 244.295 -0.991 50 20 BBGD CCOCC(=O)NNC(=O)N[C@H]1C[C@H](OC)C1 875905803 BUXZLWKBROGTPS-ZKCHVHJHSA-N 245.279 -0.469 50 20 BBGD CCO[C@@H]1C[C@H]1C(=O)NN(C)C[C@H](C)O 910170015 IPOLPERSHHAWOS-DJLDLDEBSA-N 216.281 -0.245 50 20 BBGD CCOCC(=O)NNC(=S)NC1CC1 913517385 VTGSJMMSMCAMRJ-UHFFFAOYSA-N 217.294 -0.319 50 20 BBGD CC(C)(C)NCCC(=O)NNC(=O)C(C)(C)O 935563672 PEADBDVHRAPHQH-UHFFFAOYSA-N 245.323 -0.317 50 20 BBGD O=C1CC[C@@H](C(=O)NNC(=O)C2CCC2)CN1 1116037532 WAPYDTNJQCYQKC-MRVPVSSYSA-N 239.275 -0.540 50 20 BBGD COCC(=NNC(=O)C(=O)OC)C1CC1 1116240069 UUYNEPTXUWYDAR-UHFFFAOYSA-N 214.221 -0.312 50 20 BBGD C[C@H](C(=O)NNC(=O)N(C)C)c1cnccn1 1119564357 REFUGCPSZYDROR-ZETCQYMHSA-N 237.263 -0.118 50 20 BBGD N[C@H](CC(F)F)C(=O)NNc1ncccn1 1329252309 HDESNLBUSXMANE-RXMQYKEDSA-N 231.206 -0.098 50 20 BBGD C#C[C@@H](CCC)NC(=O)NNC(=O)C(=O)OC 1330135337 KLPQPUBXDBXPOF-ZETCQYMHSA-N 241.247 -0.708 50 20 BBGD C[C@@H](CNC(=O)CCl)N1CCN(C)CC1 1336910702 YWNARNFQLFGLBV-VIFPVBQESA-N 233.743 -0.023 50 20 BBGD O=C(CO)NNC(=O)CCc1cscn1 1341889702 CVQGUOSOBOAIGL-UHFFFAOYSA-N 229.261 -0.785 50 20 BBGD C[C@@H](O)CN(C)NC(=O)[C@H](C)CC(=O)O 1593456541 IWZCTKPZKXAXCZ-RNFRBKRXSA-N 218.253 -0.559 50 20 BBGD CNC(=O)NNC(=O)[C@@H](C(=O)O)C(C)(C)C 1593792981 IBXFVOCEEWHMCC-YFKPBYRVSA-N 231.252 -0.307 50 20 BBGD CCOC(=O)N[C@@H](C(=O)NN)C(C)C 238283849 PWJPFSKXFRSJCG-ZCFIWIBFSA-N 203.242 -0.253 50 20 BBGD CCOC(=O)NCCC(=O)NN(C)C(N)=O 271373427 RDQUTNDEZSWWBO-UHFFFAOYSA-N 232.240 -0.836 50 20 BBGD C=CCOCCCC(=O)NNC(=O)C(C)(C)O 276187050 DHMGPRCKWLLFIQ-UHFFFAOYSA-N 244.291 -0.113 50 20 BBGD CCOC1CN(C(=O)c2cccc(B(O)O)c2)C1 584994360 HMHFGQKYXYFELR-UHFFFAOYSA-N 249.075 -0.773 50 20 BBGD CC[C@H](C)[C@H](CO)NCc1ccc(B(O)O)o1 585025373 RXNKGUZLCZXAKE-WPRPVWTQSA-N 241.096 -0.544 50 20 BBGD O=C(/C=C/c1ccc2c(c1)OCO2)NCB(O)O 585057119 MDYXNJYPLUSLRO-DUXPYHPUSA-N 249.031 -0.443 50 20 BBGD C#CCCCC(=O)NNC(=O)Cc1cc[nH]n1 760278911 IKWWWDFVDSTMKJ-UHFFFAOYSA-N 234.259 -0.097 50 20 BBGD CC#CC(=O)NNC(=O)c1ccccn1 763877365 YNVLHZXCJXXXAL-UHFFFAOYSA-N 203.201 -0.134 50 20 BBGD CNC(=O)NNC(=O)c1cc(C)nc(O)c1 777368831 UHGZPGXNRLNUSF-UHFFFAOYSA-N 224.220 -0.331 50 20 BBGD O=C1CC[C@@H](C(=O)NNc2ccnc(F)c2)N1 781359503 RNUFLHREAGPVCS-ZETCQYMHSA-N 238.222 -0.058 50 20 BBGD CC[C@@H](CO)C(=O)NNc1nccnc1OC 791225891 RVQYXGJQURXUMG-ZETCQYMHSA-N 240.263 -0.053 50 20 BBGD COCCOC(=O)/C(C#N)=C\c1cnn(C)n1 821027797 LSADITSFPFPHMB-YVMONPNESA-N 236.231 -0.088 50 20 BBGD C[C@H](CO)N(C)NC(=O)[C@@](C)(O)C1CCC1 823922381 KIIKAGGVLGBYHQ-KCJUWKMLSA-N 230.308 -0.119 50 20 BBGD COCCN(C)NC(=O)C(C)(C)CO 848056515 VSKSMVZEONWFSG-UHFFFAOYSA-N 204.270 -0.386 50 20 BBGD CNC(=O)NNC(=S)NCC1CC1 849254633 NJDJRFSCNVJBEA-UHFFFAOYSA-N 202.283 -0.296 50 20 BBGD O=C(NNC(=O)c1cc[nH]n1)C1=CCOCC1 855355896 BYYFXEWOJIUTBW-UHFFFAOYSA-N 236.231 -0.483 50 20 BBGD C[C@H]1OCCC1=NNC(=O)c1ncon1 901289372 GFRXGTMKCMWTRE-RXMQYKEDSA-N 210.193 -0.036 50 20 BBGD CNC(=O)NNC(=O)[C@H]1CCCN1C(C)C 930584884 ABELBMMTPIMASL-MRVPVSSYSA-N 228.296 -0.181 50 20 BBGD Cc1ncccc1CC(=O)NN(C)C(N)=O 1260263012 GIHQDCUMGFSQQJ-UHFFFAOYSA-N 222.248 -0.026 50 20 BBGD Cc1nonc1C(=O)NNC(=S)NC(C)C 1318844921 AWCCWDHRDKYEAV-UHFFFAOYSA-N 243.292 -0.105 50 20 BBGD C#CCN(CC(=O)NNC(=O)C1CC1)CC1CC1 1320136084 WSUDXDXOZMMLET-UHFFFAOYSA-N 249.314 -0.111 50 20 BBGD COc1ccc(NC(=S)NNC(N)=O)cn1 1325764284 QLGAXRHPSAEXEH-UHFFFAOYSA-N 241.276 -0.040 50 20 BBGD O=C(O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)CCl 1608810640 PHJBVYIJPMQHNP-UHNVWZDZSA-N 243.668 -0.968 50 20 BBGD C[C@@H](OC[C@@H]1CCCCO1)C(=O)NN 82463777 MCYDZPOORQMFGY-SFYZADRCSA-N 202.254 -0.050 50 20 BBGD O=C(CCl)N1CCCS(=O)(=O)CC1 218351438 DFRZJGDUCRAJLR-UHFFFAOYSA-N 225.697 -0.128 50 20 BBGD OB(O)c1cccc(CNC[C@H](O)C(F)F)c1 585038863 JCPAMAVYACIHBY-VIFPVBQESA-N 245.034 -0.918 50 20 BBGD OB(O)c1ccc(CNCC2=CCOCC2)o1 585043485 NCDPRJONWLUFGQ-UHFFFAOYSA-N 237.064 -0.604 50 20 BBGD CCN1CC(NCc2ccc(B(O)O)cc2)C1 585043941 VVQXPNXCIMHUIM-UHFFFAOYSA-N 234.108 -0.840 50 20 BBGD CCOc1nccnc1N1CC[C@H](B(O)O)C1 585078757 LBIBYOXUFQJDHJ-QMMMGPOBSA-N 237.068 -0.072 50 20 BBGD O=C(O)CSCC(=O)NNC(=O)NC1CC1 740485707 XSVYWIQSJDVNRM-UHFFFAOYSA-N 247.276 -0.703 50 20 BBGD CC(C)C(=O)NNC(=O)N[C@H]1CCOC1 752257145 SUZOMYBJGWCPGA-ZETCQYMHSA-N 215.253 -0.238 50 20 BBGD O=C(NN=CC1CC1)[C@H]1CCS(=O)(=O)C1 755620028 CKSMUPIFMXYKGZ-QMMMGPOBSA-N 230.289 -0.067 50 20 BBGD COCCC[C@H](C)C(=O)NNC(=O)C(C)(C)O 768244582 MATZRWFMDORRBG-QMMMGPOBSA-N 246.307 -0.033 50 20 BBGD CC(C)(O)C(=O)NNC(=O)[C@@H]1CCCO1 768259253 GTGWVWHAGOHJIX-LURJTMIESA-N 216.237 -0.916 50 20 BBGD CC#CCCNC(=O)NNC(=O)COCC 776204597 FUXNXQPLGUHUJE-UHFFFAOYSA-N 227.264 -0.233 50 20 BBGD CO[C@H](C)CS(=O)(=O)NNC(=O)N(C)C 800834194 PRXGEOACKYJNTF-ZCFIWIBFSA-N 239.297 -0.873 50 20 BBGD CC(C)C(=O)NNC(=O)c1cncn1C 809558210 ZOSJLWYDMYOAQI-UHFFFAOYSA-N 210.237 -0.163 50 20 BBGD CC1(C=NNC(=O)CN2CCCC2=O)COC1 814761043 MYWGCWAODGUPRP-UHFFFAOYSA-N 239.275 -0.253 50 20 BBGD C[C@](C#N)(CC(=O)O)C(=O)NNc1cnccn1 819849458 ZMVCCGRUSPTAPG-SNVBAGLBSA-N 249.230 -0.076 50 20 BBGD CCn1nncc1C(=O)NN(C)[C@H](C)CO 823918721 ZZEGJBIIRGWKSU-SSDOTTSWSA-N 227.268 -0.745 50 20 BBGD COCCC(=O)NNC(=O)[C@H]1CCO[C@@H]1C 843643799 AIXYQSOFPHBBBS-SFYZADRCSA-N 230.264 -0.405 50 20 BBGD O=C(C[C@H]1CCCO1)NNC(=O)c1cc[nH]n1 855354337 APOZYEMSIJIGMC-SSDOTTSWSA-N 238.247 -0.260 50 20 BBGD COCCCOCCC(=O)NNc1nc[nH]n1 857261058 FUALHBUKBFKCRS-UHFFFAOYSA-N 243.267 -0.309 50 20 BBGD COC[C@H](C)CC(=O)NNc1cnnn1C 857271567 QJMKTPMVWHSISB-SSDOTTSWSA-N 227.268 -0.069 50 20 BBGD C/C=C\C(=O)NNC(=O)COCCOC 869914105 UOLBDCGCIITWFS-ARJAWSKDSA-N 216.237 -0.627 50 20 BBGD O=C(CN1C[C@H]2C[C@@H]2C1)NNC(=O)C1CC1 886344995 PKXYWBVAKRAEQT-RKDXNWHRSA-N 223.276 -0.505 50 20 BBGD COC(=O)NCCC(=O)NN(C)C[C@H](C)O 910168763 VNGWGMMTCQYUSK-ZETCQYMHSA-N 233.268 -0.924 50 20 BBGD O=C(CC1COC1)NNC(=O)c1cc[nH]n1 1262182303 NYFIMUCZJMJBSL-UHFFFAOYSA-N 224.220 -0.793 50 20 BBGD Cc1nccc(C(=O)NNC(=O)NC2CC2)n1 1337848667 PUPBMGRAVMXJEZ-UHFFFAOYSA-N 235.247 -0.109 50 20 BBGD COC(=O)NNC(=O)c1cc(N)n(C)n1 1578825108 TUJAQJRNCKWQQA-UHFFFAOYSA-N 213.197 -0.997 50 20 BBGD CC(C)NC(=S)NNC(=O)c1ncccn1 5727255 RCFVJBOXTBVGIG-UHFFFAOYSA-N 239.304 -0.006 50 20 BBGD CCNC(=O)NNC(=O)[C@H](NC(C)=O)C(C)C 122950126 GEIZQQMYWRVWBX-MRVPVSSYSA-N 244.295 -0.503 50 20 BBGD COc1cc(C)nc(NNC(=O)C(C)(C)N)n1 237116741 RHUSSEGVTNDNJD-UHFFFAOYSA-N 239.279 -0.026 50 20 BBGD CNC(=O)NNC(=O)c1c(C)ccn1C 275805338 HCCFVWUMEQXIDX-UHFFFAOYSA-N 210.237 -0.093 50 20 BBGD C=C(C)CS(=O)(=O)NNC(=O)[C@@H]1CCCO1 292155217 VPYCSMRVEGCBQJ-QMMMGPOBSA-N 248.304 -0.308 50 20 BBGD Cc1nonc1C(=O)NNC(=O)CC1CC1 294271193 UZONBWXQJVUVQX-UHFFFAOYSA-N 224.220 -0.061 50 20 BBGD NNC(=O)c1ccc2c(c1)CCNCC2 309528271 VJHAIOJBZNKPIF-UHFFFAOYSA-N 205.261 -0.022 50 20 BBGD CCO/C=C(\C#N)C(=O)NOCCO 490702330 YQNMNZLXZQCWRJ-VOTSOKGWSA-N 200.194 -0.530 50 20 BBGD O=C(c1ccc(B(O)O)cc1)N1CC(CF)C1 585002452 VVYLHGNLBIUCSS-UHFFFAOYSA-N 237.039 -0.592 50 20 BBGD Cc1ccc(S(=O)(=O)NCB(O)O)cc1F 585053717 CAAKTVYQNGMYQP-UHFFFAOYSA-N 247.056 -0.576 50 20 BBGD O=C(NCB(O)O)c1cccc2c[nH]nc12 585061186 RRKDGQREKDRGSW-UHFFFAOYSA-N 219.009 -0.695 50 20 BBGD COc1ccnc(N2CC[C@H](B(O)O)C2)n1 585072892 GHOGVWYFXBWZEJ-ZETCQYMHSA-N 223.041 -0.462 50 20 BBGD C[C@@]1(C(=O)NN=c2cc[nH]cc2)CCNC1=O 821788663 XWYMXLIRHIQPJW-LLVKDONJSA-N 234.259 -0.527 50 20 BBGD CS[C@@H](C)CC(=O)NNC(=O)c1ncon1 832826385 YLILSFRSYKRNHG-YFKPBYRVSA-N 244.276 -0.028 50 20 BBGD CCOC(=O)NNC(=O)[C@H]1CCCNC1=O 864430453 XICARNGFAUQWOP-LURJTMIESA-N 229.236 -0.710 50 20 BBGD C[C@H](O)CN(C)NC(=O)CNc1ccccn1 910141460 UHOVYKYWNZJNTD-VIFPVBQESA-N 238.291 -0.163 50 20 BBGD Cc1ccc(C(=O)NNS(C)(=O)=O)c(O)c1 917754137 YJDFDQIRZDWSAK-UHFFFAOYSA-N 244.272 -0.105 50 20 BBGD CC[C@](C)(O)C(=O)NNC(=O)C1CC1 929231789 KTDSEAUZGMPNMU-VIFPVBQESA-N 200.238 -0.295 50 20 BBGD COCC#CC(=O)NNC(=O)c1cccc(C)n1 1118759023 WZYIVWBSARANDQ-UHFFFAOYSA-N 247.254 -0.199 50 20 BBGD C[C@@H](C(=O)NNc1cnnn1C)c1cnn(C)c1 1261772526 AFFMBBGMGOQXPE-SSDOTTSWSA-N 249.278 -0.205 50 20 BBGD C[C@@H](C(=O)NN(C)C1CC1)n1cnc(C#N)n1 1325865032 VWAFNDRMHJWAGK-ZETCQYMHSA-N 234.263 -0.164 50 20 BBGD N#Cc1ccc(N2CC[C@H](B(O)O)C2)nn1 1331895500 LOLUNYQOIOJWID-ZETCQYMHSA-N 218.025 -0.599 50 20 BBGD CN(C)C(=O)NNC(=O)CCc1cn[nH]c1 1333996231 XRIUMLLSMHSVHA-UHFFFAOYSA-N 225.252 -0.355 50 20 BBGD CNC(=O)NNC(=O)[C@H]1C[C@@H](C(=O)OC)C1 1335741315 YCZBSZXCFVYLRB-OLQVQODUSA-N 229.236 -0.854 50 20 BBGD N#CC(C#N)=CN[C@H]1CCS(=O)(=O)C1 1337253242 QIWDDSVITGUNRW-QMMMGPOBSA-N 211.246 -0.306 50 20 BBGD CNC(=O)NNC(=O)C[C@@H]1CNC[C@H]1C 1578557115 DLJJFBYZYZPGFC-RNFRBKRXSA-N 214.269 -0.808 50 20 BBGD C=C(CCC(=O)O)C(=O)NN(C)C[C@H](C)O 1588630578 RSEDDZGIDUTHNB-QMMMGPOBSA-N 230.264 -0.249 50 20 BBGD COCCN(C)NC(=O)[C@@H](C(=O)O)C1CC1 1593995592 JJNATCMDBBCWEO-QMMMGPOBSA-N 230.264 -0.293 50 20 BBGD Cc1nc[nH]c1C=NNC(=O)NCC(=O)O 1607975728 MBJGMNPAHDFATP-UHFFFAOYSA-N 225.208 -0.564 50 20 BBGD CCOC(=O)NNC(=O)[C@@H]1COCCO1 47954921 MVDPFRMSOZGNFT-LURJTMIESA-N 218.209 -0.821 50 20 BBGD CN1CCN([C@@H](C(=O)NN)c2ccccc2)CC1 110569207 RMFWYARVFVEUIZ-GFCCVEGCSA-N 248.330 -0.035 50 20 BBGD CCC[C@@](C)(O)C(=O)NNC(=O)NCC 123549836 NZUSBUWBNDAAFA-SECBINFHSA-N 217.269 -0.112 50 20 BBGD CN(C)c1ccc(C(=O)NNC(=O)CO)cc1 180952677 DVEKXOXDQVQPPL-UHFFFAOYSA-N 237.259 -0.494 50 20 BBGD COc1ccc(C(=O)NCB(O)O)c(OC)c1 195524390 AXVACYKBUZCSAW-UHFFFAOYSA-N 239.036 -0.554 50 20 BBGD COC(=O)N(C)NC(=O)Cn1cccn1 286421082 QJOQZSGNARKHNV-UHFFFAOYSA-N 212.209 -0.388 50 20 BBGD COC(=O)NNC(=O)c1cc([N+](=O)[O-])n[nH]1 495640685 MPLXUARWZNJHEE-UHFFFAOYSA-N 229.152 -0.681 50 20 BBGD CC(C)[C@H](O)CNCc1cccc(B(O)O)c1 585025512 WDJHHQIKNAXNGU-GFCCVEGCSA-N 237.108 -0.527 50 20 BBGD C=C(C)CS(=O)(=O)N1CC[C@@H](B(O)O)C1 585059033 XOXRQTZMZOUJTE-MRVPVSSYSA-N 233.098 -0.559 50 20 BBGD CCCCCCN(C)CC(=O)NNC(=O)CO 753445592 PNZQHFTXZIQVAY-UHFFFAOYSA-N 245.323 -0.362 50 20 BBGD COC[C@@](C)(O)C(=O)NNC(=O)NCC1CC1 754988780 QOSQYCYSYXNAGH-SNVBAGLBSA-N 245.279 -0.876 50 20 BBGD CC[C@H]1CC(=NNC(=O)C(N)=O)CCO1 756821866 ZHZSZIFMYOOHNZ-ZETCQYMHSA-N 213.237 -0.467 50 20 BBGD C#CCCCC(=O)NNC(=O)[C@@H]1CCOC1 758076243 PKPPPQSHWGAQRD-SECBINFHSA-N 224.260 -0.026 50 20 BBGD CC(C)NC(=O)NNC(=O)C1(C)COC1 782609526 VEMUHVRGXORRKO-UHFFFAOYSA-N 215.253 -0.238 50 20 BBGD N#C/C(=C/c1ccc(-c2nn[nH]n2)o1)C(N)=O 822795799 GZCGXBHBJXREJU-HYXAFXHYSA-N 230.187 -0.148 50 20 BBGD C#C[C@H](C)NC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 826531548 NNMICTSUURALAK-DJLDLDEBSA-N 239.275 -0.237 50 20 BBGD CC(C)C(=O)NNC(=O)[C@@H]1CCCN1C=O 854213263 BNMNWVQLDPCTBT-QMMMGPOBSA-N 227.264 -0.589 50 20 BBGD COCC1(C(=O)NNC(=O)c2cc[nH]n2)CC1 855357021 XUVBJNHOYWUCKG-UHFFFAOYSA-N 238.247 -0.403 50 20 BBGD CS[C@@H](C)C(=O)NNC(=O)c1cc[nH]n1 855358979 AFOAFZIJESDGQJ-YFKPBYRVSA-N 228.277 -0.078 50 20 BBGD CC(=O)NN=Cc1cn(C[C@@H]2CCCO2)nn1 872326079 TVTOSSKAMRUYEK-JTQLQIEISA-N 237.263 -0.073 50 20 BBGD COC(=O)N(C)NC(=O)NCc1cnn(C)c1 875143219 YAVRKBIQCLZAFU-UHFFFAOYSA-N 241.251 -0.168 50 20 BBGD CN1CC[C@H](NCc2ccccc2B(O)O)C1 877020215 ZUPFAVJRTYBGQO-NSHDSACASA-N 234.108 -0.840 50 20 BBGD CCC[C@H](CC)C(=O)NNC(=O)CO 879395768 WPXNFCGIYXBRIM-ZETCQYMHSA-N 202.254 -0.048 50 20 BBGD C=C[C@@H]1OCC[C@H]1C(=O)NN(C)C[C@@H](C)O 910144189 FDQSNEGCUMXGGC-BBBLOLIVSA-N 228.292 -0.079 50 20 BBGD CCC[C@H](O)C(=O)NNC(=O)N(C)C 931119182 MHIMSBYGDNTJKM-LURJTMIESA-N 203.242 -0.550 50 20 BBGD CC(=O)NNC(=O)C[C@H]1CCCC(=O)N1 1117664753 ICAVJGNOJNRCAR-SSDOTTSWSA-N 213.237 -0.788 50 20 BBGD O=C(CN1CCSC1=O)NNc1nc[nH]n1 1117760435 ZCTHEGFYTOUCKP-UHFFFAOYSA-N 242.264 -0.583 50 20 BBGD C[C@@H](CO)N(C)NC(=O)C12CCCN1CCC2 1119106076 YKPKIXAGPFVPMI-JTQLQIEISA-N 241.335 -0.041 50 20 BBGD CCNC(=O)NNS(=O)(=O)c1c[nH]nc1C 1318672519 TUPBAYWAWNHUNQ-UHFFFAOYSA-N 247.280 -0.769 50 20 BBGD COC(=O)C(=O)NN=C1CCN(C)[C@H](C)C1 1318907948 BOHSBYBHOMZZRZ-SSDOTTSWSA-N 227.264 -0.254 50 20 BBGD CCC(=O)N1CC[C@H](C(=O)NNC(=O)NC)C1 1319427150 GAIBTCIWKOBYKS-ZETCQYMHSA-N 242.279 -0.795 50 20 BBGD COC(=O)C(=O)NNC(=O)NCc1ccco1 1323434549 VMUJPBVXIMFNAD-UHFFFAOYSA-N 241.203 -0.717 50 20 BBGD Cc1ccc(C=NNC(=O)C(N)=O)nc1 1323921461 WCGSUDBPPDGPCO-UHFFFAOYSA-N 206.205 -0.675 50 20 BBGD Cn1cc(CC(=O)NNc2nc[nH]n2)cn1 1324335191 PMADITLSKXDSKC-UHFFFAOYSA-N 221.224 -0.776 50 20 BBGD C[C@H](O)CN(C)NC(=O)CCc1cnn(C)c1 1339540273 ROFLPPVJQUGMEY-VIFPVBQESA-N 240.307 -0.304 50 20 BBGD O=C(O)C(=O)NN=C1CC(=O)N2CCCC[C@H]12 1601638481 ZDXAADSHETWSJB-SSDOTTSWSA-N 239.231 -0.672 50 20 BBGD CC(C)(C(=O)O)n1ccc(NC(=O)NN)n1 1603289070 FSNGNIJSPQLTNZ-UHFFFAOYSA-N 227.224 -0.302 50 20 BBGD O=C(NCCn1cccn1)NNc1cccnn1 172467178 OBEMMIHJNUGJCK-UHFFFAOYSA-N 247.262 -0.001 50 20 BBGD CCOC(=O)NNC(=O)COCCCOC 494504795 NWWFACSCFZKLQI-UHFFFAOYSA-N 234.252 -0.183 50 20 BBGD COC[C@H](NCc1ccc(B(O)O)cc1)C1CC1 585030026 OCIVNPTZUSCYPG-ZDUSSCGKSA-N 249.119 -0.119 50 20 BBGD C[C@@H]1CSC[C@@H]1NCc1ccc(B(O)O)o1 585040293 IELMNVRLAFJXSU-APPZFPTMSA-N 241.121 -0.200 50 20 BBGD O=C(NCB(O)O)c1cnn(-c2ccccc2)c1 585060221 AXOHNHTZCOCMHU-UHFFFAOYSA-N 245.047 -0.386 50 20 BBGD O=C(CCl)N1CCC(CO)(CO)CC1 616574212 YJAXVYSILGBBHW-UHFFFAOYSA-N 221.684 -0.181 50 20 BBGD C#CCCCC(=O)NNC(=S)NCCOC 757836907 GKZFOEDRQDLQSK-UHFFFAOYSA-N 243.332 -0.068 50 20 BBGD CC[C@@H](OC)C(=O)NN(C)C(=S)NC 854926156 SYVPXSLYGCGIKM-ZCFIWIBFSA-N 219.310 -0.121 50 20 BBGD C[C@@H]1CC(=NNC(=O)[C@@H]2CCC(=O)N2)CN1C 863148989 OESPYWZCRUMXIK-APPZFPTMSA-N 238.291 -0.539 50 20 BBGD CN(NC(=O)c1cc(CO)on1)C1CC1 868962151 PQBGBUDMDJXSOK-UHFFFAOYSA-N 211.221 -0.094 50 20 BBGD COC1(C(=O)NNC(=O)CO)CCCCCC1 897605923 INWPWFUZOFKGDU-UHFFFAOYSA-N 244.291 -0.135 50 20 BBGD C#CCSCC(=O)NNc1nc[nH]n1 897778293 YJDVRSZBPJBRNX-UHFFFAOYSA-N 211.250 -0.386 50 20 BBGD COC(=O)CC(=O)NN(C)C(=O)OC 908116175 ZMXNFKPYFOQBRJ-UHFFFAOYSA-N 204.182 -0.721 50 20 BBGD Cc1cc(CC(=O)N2CC[C@H](B(O)O)C2)no1 1261844454 OZOHQVFMXIYRHJ-QMMMGPOBSA-N 238.052 -0.399 50 20 BBGD Cc1n[nH]cc1C(=O)NNC(=O)CC#N 1324120401 HEJXQWLNFZDWLC-UHFFFAOYSA-N 207.193 -0.607 50 20 BBGD CN(C)C(=O)NNC(=O)Cc1ccn(C)n1 1326354825 MKYUXROOTLBZKC-UHFFFAOYSA-N 225.252 -0.735 50 20 BBGD CN(NC(=O)[C@@]1(F)CCOC1)C(N)=O 1326822980 OTRWIJWYKVKROP-SSDOTTSWSA-N 205.189 -0.843 50 20 BBGD COCCOCC(=O)NN=C1COC[C@@H]1C 1331976302 MJLVLMJDLQYHRB-QMMMGPOBSA-N 230.264 -0.212 50 20 BBGD C[C@H]1CN2CCN1C[C@H]2C(=O)NN(C)C1CC1 1347193867 HDPAEAHKFGJGEC-ONGXEEELSA-N 238.335 -0.500 50 20 BBGD CS(=O)(=O)c1ccc(NC(=O)NN)nc1 1579351316 IMUUKNAGWLPYRV-UHFFFAOYSA-N 230.249 -0.520 50 20 BBGD Cc1cccn2cc(C(=O)NNC(=O)CN)cc12 1579807774 NIMPUBXPDAKZGR-UHFFFAOYSA-N 246.270 -0.033 50 20 BBGD C=CCNC(=S)NNC(=O)[C@H](C)C(=O)O 1588465700 YZURUMUBHWHQFM-YFKPBYRVSA-N 231.277 -0.612 50 20 BBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)CCC(=O)O 1603479457 BOLNHWJFBBYHRN-RQJHMYQMSA-N 244.247 -0.576 50 20 BBGD COC(=O)N(C)CC(=O)NNC(=O)NC1CC1 49150435 DMTAEIHUZSPLCL-UHFFFAOYSA-N 244.251 -0.823 50 20 BBGD CNC(=O)NCCC(=O)NNC(=O)C(C)(C)C 293079259 REBAQBRFVMNJQN-UHFFFAOYSA-N 244.295 -0.501 50 20 BBGD C[C@@]1(C(=O)Nc2cccc(B(O)O)c2)CCCO1 404977326 ZORJTLLPHHLOBR-LBPRGKRZSA-N 249.075 -0.126 50 20 BBGD COC[C@H](NCc1ccc(B(O)O)o1)C(C)C 585027883 FMXBSQDPSJVNDB-JTQLQIEISA-N 241.096 -0.280 50 20 BBGD C[C@@H](CCCO)NCc1cccc(B(O)O)c1 585028756 QILAUCPHYRPYRO-JTQLQIEISA-N 237.108 -0.383 50 20 BBGD CC(C)C(=O)NNS(=O)(=O)N1CCCCC1 740706477 ZYEWARIZWCNQNO-UHFFFAOYSA-N 249.336 -0.006 50 20 BBGD CCOC(=O)NNC(=O)[C@H](C)N(C)C 750014746 GEOYFPSFGUNGLK-LURJTMIESA-N 203.242 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CCN(CCO)NC(=O)[C@H]1CC(C)=NO1 823889078 HNQKUWCCCRTNEY-MRVPVSSYSA-N 215.253 -0.503 50 20 BBGD Cc1cn(C)nc1C(=O)NN(C)[C@H](C)CO 823918161 RMXNOJAATXXVRH-MRVPVSSYSA-N 226.280 -0.314 50 20 BBGD CCOCCO[C@@H](C)C(=O)NN(C)[C@H](C)CO 823965593 PQDDIWHTFCFVEX-ZJUUUORDSA-N 248.323 -0.228 50 20 BBGD CCC(=O)NNC(=O)[C@H](C)N1CCN[C@@H](C)C1 843350110 KIEGJEURORTNSP-IUCAKERBSA-N 242.323 -0.774 50 20 BBGD CNC(=S)N(C)NC(=O)[C@H]1CCC(=O)C1 854927397 GWFPKDWYJOAUNG-LURJTMIESA-N 229.305 -0.177 50 20 BBGD CO[C@]1(C=NNC(=O)c2cn[nH]c2)CCOC1 863153928 HYLNSBYDZNEUKP-JTQLQIEISA-N 238.247 -0.069 50 20 BBGD CC(C)C(=O)NNC(=O)[C@@H]1CCCNC1=O 864490371 DCMKCJFUBBJMOW-SSDOTTSWSA-N 227.264 -0.684 50 20 BBGD CSc1cc(C(=O)NNC(=O)CO)co1 897312606 JGJXFTBNBVWGAX-UHFFFAOYSA-N 230.245 -0.245 50 20 BBGD CCOC(=O)CC(=O)NN(C)C[C@H](C)O 910170937 QMEMKURYRPVXKV-ZETCQYMHSA-N 218.253 -0.717 50 20 BBGD CCCNC(=O)NNC(=O)[C@H](C)NC(=O)CC 921038384 XQBKLBPVVKXFFI-ZETCQYMHSA-N 244.295 -0.359 50 20 BBGD C[C@H](C(=O)NNC(=O)CN(C)C)n1ccnc1 1321801100 NILPSIWPVKESGQ-MRVPVSSYSA-N 239.279 -0.847 50 20 BBGD CC(=O)NNC(=O)Nc1ncccc1CN 1575015790 YCPUVQBNHAKSQT-UHFFFAOYSA-N 223.236 -0.287 50 20 BBGD CNC(=O)NNC(=O)[C@]1(C(=O)O)C[C@H]1C 1593792828 DWHHUPAIUSGNQD-VHWMUFPASA-N 215.209 -0.943 50 20 BBGD CN(C)CC(=O)NNc1ncncc1F 294021452 NHIHSKWUTFMOGN-UHFFFAOYSA-N 213.216 -0.380 50 20 BBGD CC(=O)NNC(=O)Nc1cccn(C)c1=O 753935710 PVMRMJIRVDNDFS-UHFFFAOYSA-N 224.220 -0.442 50 20 BBGD COC(OC)C(=O)NNC(=O)[C@@H]1CCO[C@H]1C 824015680 CNCQZPVUGCJPTF-NKWVEPMBSA-N 246.263 -0.822 50 20 BBGD CCNC(=O)N(C)NC(=O)[C@@H](N)CC(F)F 831945511 QWHATLWYUNHIHZ-YFKPBYRVSA-N 238.238 -0.339 50 20 BBGD C[C@@H](NNC(=O)[C@H]1COCCO1)C(F)(F)F 862307301 JUEVGVCUSFSRRI-PHDIDXHHSA-N 242.197 -0.027 50 20 BBGD CC(=NNC(=O)[C@H]1CCC(=O)N1)c1cc[nH]n1 863149756 FAMFKCIPBGYPKS-MRVPVSSYSA-N 235.247 -0.472 50 20 BBGD O=C(c1cccc(B(O)O)c1)N1C[C@H]2C[C@H]2C1 863887515 LPALQMVDCUAVRZ-AOOOYVTPSA-N 231.060 -0.542 50 20 BBGD CCOC(=O)NNC(=O)[C@@H]1CCCC(=O)N1C 905072446 ZCQGSBIGSDJNGD-ZETCQYMHSA-N 243.263 -0.225 50 20 BBGD NC(=O)C(=O)NN=Cc1cnc(C2CC2)s1 1116278832 COCNAMJKTWDIFF-UHFFFAOYSA-N 238.272 -0.044 50 20 BBGD NNC(=O)[C@H]1CC[C@H](C(F)(F)F)NC1=O 1326349493 IDXHJGABIZLMFJ-IUYQGCFVSA-N 225.170 -0.567 50 20 BBGD C=C[C@@H](COC)NCc1ccc(B(O)O)cc1 1329639980 OZYBDCYXVYKJMP-LBPRGKRZSA-N 235.092 -0.343 50 20 BBGD CC(C)(O)C(=O)NNC(=O)C1CCC(O)CC1 1339586312 MKYGFCOLYMRHGE-UHFFFAOYSA-N 244.291 -0.544 50 20 BBGD CNC(=S)N(C)NC(=O)[C@@H]1C[C@@H]1F 1347685153 NFFOMKIQAADDSV-UHNVWZDZSA-N 205.258 -0.188 50 20 BBGD NC1(CC(=O)NNc2cccc(F)n2)COC1 1580144121 LEMWLOPYJOXXKM-UHFFFAOYSA-N 240.238 -0.218 50 20 BBGD NOCC(=O)NNC(=S)NCC1CCC1 1580359075 GUWBSIZBJOYPLD-UHFFFAOYSA-N 232.309 -0.828 50 20 BBGD CNC(=O)NNC(=O)[C@]1(C(=O)O)CC=CCC1 1604241539 ZHLVNBQLCJZSBP-JTQLQIEISA-N 241.247 -0.242 50 20 BBGD Cc1ccnc(NC(=O)NNC(=O)CCO)c1 129014201 ZYKATEVDXDPTHH-UHFFFAOYSA-N 238.247 -0.075 50 20 BBGD Cc1cc(-n2cccn2)ccc1B(O)O 202817536 URUFJWIDOGVQHL-UHFFFAOYSA-N 202.022 -0.139 50 20 BBGD CC(C)NC(=O)C(=O)NNC(=O)C=C1CCC1 267943298 VAERZJCEOZOACC-UHFFFAOYSA-N 239.275 -0.231 50 20 BBGD COC(=O)N(C)CC(=O)NNC(=O)C(C)C 490770624 NOKJGMLNDAZAKT-UHFFFAOYSA-N 231.252 -0.512 50 20 BBGD OB(O)c1ccc(CNCC2[C@H]3COC[C@H]23)cc1 585041347 XQCFYNVMYGUVPB-CHWSQXEVSA-N 247.103 -0.652 50 20 BBGD C[C@H](CCCCO)NCc1ccc(B(O)O)o1 585043065 HIWQWXGNRQYTOT-SECBINFHSA-N 241.096 -0.400 50 20 BBGD C[C@H]1C[C@H](NCc2cccc(B(O)O)c2)CO1 585047809 GZOJDGISLQVDLI-CABZTGNLSA-N 235.092 -0.367 50 20 BBGD O=C(NNc1cnccn1)[C@H]1C[C@H]1C(=O)O 739545716 BMBKYFXPDGLOBU-NTSWFWBYSA-N 222.204 -0.360 50 20 BBGD CCOc1nc(C(=O)NNC(=O)N(C)C)co1 772582125 VYVCPRCRPCSLPB-UHFFFAOYSA-N 242.235 -0.011 50 20 BBGD CC#CCCNC(=O)NNC(=O)c1cnn(C)c1 776205094 JBXFUZYRTLOXOD-UHFFFAOYSA-N 249.274 -0.223 50 20 BBGD COc1cccc(O)c1C=NNC(=O)CO 776780595 LIXROAPQIIQFHC-UHFFFAOYSA-N 224.216 -0.157 50 20 BBGD CCNC(=O)N(C)NS(=O)(=O)NC1CC1 782478360 NBOWIZCMTOSBKS-UHFFFAOYSA-N 236.297 -0.851 50 20 BBGD O=C(NNc1ncncc1F)[C@H]1C[C@@H](O)C1 823125028 IUVXQYJMCKGQEI-OLQVQODUSA-N 226.211 -0.170 50 20 BBGD COC(=O)NCCC(=O)NN(C)[C@H](C)CO 823959867 RHWWXSIHTKXVHV-SSDOTTSWSA-N 233.268 -0.924 50 20 BBGD Cc1cc(C(=O)NN(C)[C@@H](C)CO)no1 823988256 QQDXCNLTSKEWGO-LURJTMIESA-N 213.237 -0.060 50 20 BBGD COc1ccnc(C=NNC(=O)CN(C)C)n1 842526453 XHGDIFIZKUJTMM-UHFFFAOYSA-N 237.263 -0.503 50 20 BBGD CC1=NO[C@@H](C(=O)NNC(=O)c2ncccn2)C1 854953580 VZYWCMJIUJCVMI-SSDOTTSWSA-N 249.230 -0.598 50 20 BBGD O=C(COC(F)F)NNC(=O)c1cccnn1 882059917 SKCCVYBGNMVWDZ-UHFFFAOYSA-N 246.173 -0.523 50 20 BBGD O=C(CCO)NN=Cc1cccc(O)c1O 1116205642 SXWBBJDZPIHKGH-UHFFFAOYSA-N 224.216 -0.070 50 20 BBGD COc1ccc(C(=O)NNC(=O)[C@H](C)O)cc1 1255558013 YUTMPWLOCBHSCB-ZETCQYMHSA-N 238.243 -0.163 50 20 BBGD CCNC(=O)N(C)NC(=O)c1ncn(C)n1 1261204917 JBGVSCZABPQWCR-UHFFFAOYSA-N 226.240 -0.879 50 20 BBGD CC(C)NC(=O)NNC(=O)C1(O)CCOCC1 1320683262 ZWERODQIPKUDGM-UHFFFAOYSA-N 245.279 -0.733 50 20 BBGD Cn1nncc1NNC(=O)C(C)(C)C#N 1326339293 BUFIYAGMIBKTAL-UHFFFAOYSA-N 208.225 -0.192 50 20 BBGD CC(C)C(=O)NNC(=O)CCc1cnn[nH]1 1330274687 MFOPZYSXBXUNAM-UHFFFAOYSA-N 225.252 -0.459 50 20 BBGD C[C@@H](C(=O)NN(C)C[C@@H](C)O)n1ccnc1 1339541192 ZQSAPASFBKNWKA-BDAKNGLRSA-N 226.280 -0.212 50 20 BBGD N#CC1=CCN(C(=O)C2(CN)CC(O)C2)CC1 1580040917 QSHBBIXXZWBRJB-UHFFFAOYSA-N 235.287 -0.232 50 20 BBGD C[C@H](O)CN(C)NC(=O)[C@H]1CC[C@H]1C(=O)O 1589151821 CDZSDWSLYZIFJU-BIIVOSGPSA-N 230.264 -0.559 50 20 BBGD CC#CCCCC(=O)NNC(=O)CN(C)C 186418730 CJBGXGIKGKWHKW-UHFFFAOYSA-N 225.292 -0.111 50 20 BBGD CCC[C@](C)(O)C(=O)NN(C)C(N)=O 272188652 NAEXOAAPJSQBAP-QMMMGPOBSA-N 203.242 -0.421 50 20 BBGD CCNC(=O)N(C)NC(=O)Cn1cccn1 272682802 OCEAJAOAMRSGJL-UHFFFAOYSA-N 225.252 -0.424 50 20 BBGD CCOC(=O)NCC(=O)NNC(=O)OC 274330048 ZPPCEWIBBVXIQZ-UHFFFAOYSA-N 219.197 -0.880 50 20 BBGD O=C(N[C@@H]1CC[C@H]2C[C@H]21)c1cccc(B(O)O)c1 584986547 ZOAAMVLMBIWGSK-XXILOJSOSA-N 245.087 -0.105 50 20 BBGD C[C@H](CO)CNCc1ccc(B(O)O)cc1F 585018163 HSTAYOSTHQHTBV-QMMMGPOBSA-N 241.071 -0.777 50 20 BBGD C[C@@H](CO)CNCc1ccccc1B(O)O 585018626 NVAOQRPUOBSSTJ-SECBINFHSA-N 223.081 -0.916 50 20 BBGD CC1(S(=O)(=O)N2CC[C@@H](B(O)O)C2)CC1 585056908 YXLYHAZXRJMMMD-SSDOTTSWSA-N 233.098 -0.583 50 20 BBGD CCCS(=O)(=O)N1CC[C@@H](B(O)O)C1 585058136 TYTAQJHXSIOCAW-SSDOTTSWSA-N 221.087 -0.725 50 20 BBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)C1CC1 770571157 BDZLVETZFBJNRB-POYBYMJQSA-N 212.249 -0.031 50 20 BBGD O=C(CO)NN=Cc1cc(F)ccc1O 776780787 NNCXRPOIQUQUGN-UHFFFAOYSA-N 212.180 -0.026 50 20 BBGD Cc1nc[nH]c1C=NNC(=O)C(C)(C)O 785462379 DRGIXPLKFUCSPO-UHFFFAOYSA-N 210.237 -0.061 50 20 BBGD COCCC(=O)NNC(=O)c1cn[nH]c1 862472123 VLJAWVAXVCHHFO-UHFFFAOYSA-N 212.209 -0.793 50 20 BBGD CC[C@H](O)[C@H](C)C(=O)NNC(=O)NC1CC1 900382407 CTGWVHWNICAAKN-XPUUQOCRSA-N 229.280 -0.114 50 20 BBGD C/C=C/[C@H](O)C(=O)NN(C)CCOC 908114287 DSYYFOTVHVQCOU-ZJELKQJVSA-N 202.254 -0.467 50 20 BBGD Cc1cc(C)nc(NNC(=O)NCC#CCO)n1 923789183 KTOKYAFZLQOZRR-UHFFFAOYSA-N 249.274 -0.285 50 20 BBGD CC(=NNC(=O)C(N)=O)c1cnn(C)c1C 1116504820 XVVYEEPXEGKCJN-UHFFFAOYSA-N 223.236 -0.946 50 20 BBGD CO[C@@H](C)CC(=O)NNc1nccn(C)c1=O 1252519181 TZDHYQFCCYSWSQ-ZETCQYMHSA-N 240.263 -0.352 50 20 BBGD C[C@H](CO)N(C)NC(=O)CCc1cnn(C)c1 1336011683 XAKQIUWRNMZWMR-SECBINFHSA-N 240.307 -0.304 50 20 BBGD CCN1CCOC[C@@H]1C(=O)NNC(=O)N(C)C 1337096660 QJCQJIDDJARNFO-MRVPVSSYSA-N 244.295 -0.991 50 20 BBGD CC1(C(=O)NNC(=O)c2ncccn2)COC1 1337321347 XCLFEKQCZUUMNC-UHFFFAOYSA-N 236.231 -0.726 50 20 BBGD CNC(=O)NNC(=O)[C@@H]1CCc2cncn2C1 1350606369 UBIBCEJCOUPQQN-SSDOTTSWSA-N 237.263 -0.594 50 20 BBGD CO[C@@H](C(=O)O)C(=O)NNc1ccnc(F)c1 1593910889 CRBBVFJCAKDAMU-SSDOTTSWSA-N 243.194 -0.237 50 20 BBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)CCC(=O)O 1603479455 BOLNHWJFBBYHRN-NKWVEPMBSA-N 244.247 -0.576 50 20 BBGD CCOC(=O)/C(C#N)=C/NCCOCC(=O)O 1605503537 BSBIXBIQCWKRRO-SOFGYWHQSA-N 242.231 -0.352 50 20 BBGD COC(=O)c1cc(F)cc2[nH]c(B(O)O)cc12 1857792842 MZICAYYBXSKODP-UHFFFAOYSA-N 236.995 -0.227 50 20 BBGD COC(=O)c1cc2ccc(B(O)O)cc2cn1 196603201 OZPMMQYAUDOBCI-UHFFFAOYSA-N 231.016 -0.299 50 20 BBGD O=S(=O)(CCl)N1CC(O)(C2CC2)C1 236478851 NYGNRIQOMJYRMD-UHFFFAOYSA-N 225.697 -0.031 50 20 BBGD COC(=O)NC(C)(C)C(=O)NNC(=O)C1CC1 264241850 FDBVOMSFYOWXQW-UHFFFAOYSA-N 243.263 -0.322 50 20 BBGD COC(=O)NNC(=O)[C@H]1CCCN(C(C)=O)C1 490596574 PWAVECYMQKGPOH-QMMMGPOBSA-N 243.263 -0.368 50 20 BBGD COC(C)(C)CNCc1ccc(B(O)O)o1 585027182 OUFZPDNKHQUQSO-UHFFFAOYSA-N 227.069 -0.526 50 20 BBGD Cc1c(CNCc2ccc(B(O)O)o2)cnn1C 585034401 KINNZINVMUESDF-UHFFFAOYSA-N 249.079 -0.709 50 20 BBGD C[C@@H](CN(C)C)NCc1ccc(B(O)O)cc1 585040876 QZAGGJFYVLDARD-JTQLQIEISA-N 236.124 -0.594 50 20 BBGD OB(O)c1ccc(CN[C@H]2CCn3ccnc32)o1 585043778 RCHVPAPIPLQNFQ-VIFPVBQESA-N 247.063 -0.610 50 20 BBGD O=C(NCB(O)O)[C@@H]1Cc2ccccc2S1 585060809 KEXJTZWQKBVYRL-VIFPVBQESA-N 237.089 -0.168 50 20 BBGD O=C(NCB(O)O)[C@H]1[C@H]2c3ccccc3C[C@H]21 585062261 FCGUFVRSQVHDPZ-OUAUKWLOSA-N 231.060 -0.300 50 20 BBGD O=C(NCCn1cncn1)NNc1ccccn1 726708260 BQHPOADPYVAEMY-UHFFFAOYSA-N 247.262 -0.001 50 20 BBGD C/C=C/C(=O)NNC(=O)NCCCOC 737819006 OTTBZDYLQZVDAY-HWKANZROSA-N 215.253 -0.071 50 20 BBGD O=C(O)NCC(=O)NNC(=O)C1CCC1 738651109 KDGNGVKQYHKHMF-UHFFFAOYSA-N 215.209 -0.799 50 20 BBGD CNC(=S)NNC(=O)c1cccn1C 747754191 YOMWHZMZEGZLPB-UHFFFAOYSA-N 212.278 -0.236 50 20 BBGD COCCCNC(=O)NNC(=O)C[C@@H](C)OC 749585311 MYFQILLTROGAIB-MRVPVSSYSA-N 247.295 -0.222 50 20 BBGD CN(C)CC(=O)NNC(=O)CCn1cccc1 751059974 CKJYSGQTTBATLM-UHFFFAOYSA-N 238.291 -0.413 50 20 BBGD CCNC(=O)N(C)NC(=O)[C@@](C)(O)COC 768413380 QWKZPONXEYTCHC-VIFPVBQESA-N 233.268 -0.924 50 20 BBGD C=C(CN(C)C)C(=O)NNC(=O)NC 773846767 IEAHLWCNHHFMLT-UHFFFAOYSA-N 200.242 -0.936 50 20 BBGD O=C(CO)NNC(=O)CC[C@@H]1CCCO1 777781967 TULBECUWCVPKOJ-ZETCQYMHSA-N 216.237 -0.915 50 20 BBGD C[C@@H]1C[C@@H](C(=O)NNC(=O)C2CC2)CO1 784145967 YFLKJXJWMJWFOA-HTRCEHHLSA-N 212.249 -0.031 50 20 BBGD COc1cccc(NNC(=O)c2ncn(C)n2)n1 810972516 VPHNQCDNAQVFOY-UHFFFAOYSA-N 248.246 -0.024 50 20 BBGD CCNC(=O)N(C)NC(=O)c1cnnn1CC 816006927 RDQUWYZVMQBXFC-UHFFFAOYSA-N 240.267 -0.396 50 20 BBGD C[C@H](CO)N(C)NC(=O)c1ncccn1 823951129 IBUKQXSGUPZNAY-SSDOTTSWSA-N 210.237 -0.566 50 20 BBGD CCn1cc(-c2nn(C)cc2C(=O)NN)cn1 825644683 DQCUQABIRIILCD-UHFFFAOYSA-N 234.263 -0.093 50 20 BBGD O=S(=O)(CCl)N1CC[C@](F)(CO)C1 849392125 BVIBWQYKFWTMBJ-ZCFIWIBFSA-N 231.676 -0.081 50 20 BBGD CC(=O)NCC(=O)NN[C@H](C)C(F)(F)F 862303108 KFDSGGHQCZZIBF-SCSAIBSYSA-N 227.186 -0.306 50 20 BBGD CCC(=O)NNC(=S)N[C@@H](C)COC 913514857 QZBOUEYUHYOKRP-LURJTMIESA-N 219.310 -0.073 50 20 BBGD CC(C)NC(=S)NNC(=O)C(=O)NC1CC1 1321403922 ITXVNSJGZFDOGG-UHFFFAOYSA-N 244.320 -0.831 50 20 BBGD COC1(C(=O)NN(C)[C@H](C)CO)CCOCC1 1332365622 HVOIUGDRSNXNMO-SECBINFHSA-N 246.307 -0.474 50 20 BBGD O=C1CC[C@H](C(=O)NN=C[C@H]2CCOC2)N1 1348412309 VPUAYFRLIZCDQG-HTQZYQBOSA-N 225.248 -0.597 50 20 BBGD C/C(C#N)=C\Cn1cnc(-c2nn[nH]n2)cc1=O 1573559002 UTPGWCHMHOKHDR-FARCUNLSSA-N 243.230 -0.107 50 20 BBGD CCNC(=O)NN[C@]1(C)CCS(=O)(=O)C1 46906127 WNULPKDLIWLXLS-MRVPVSSYSA-N 235.309 -0.613 50 20 BBGD CO[C@H](C)CC(=O)NNC(=O)c1cc(C)n[nH]1 151184940 ZFKPVKIIGBHJAY-SSDOTTSWSA-N 240.263 -0.096 50 20 BBGD COC(=O)NNC(=O)C(=O)N1CCC(C)CC1 282795555 GONHUQSGIJXFBF-UHFFFAOYSA-N 243.263 -0.368 50 20 BBGD CC(F)(F)C(=O)NNC(=O)N1CCOCC1 293024632 QXZQUPRBDNAUBN-UHFFFAOYSA-N 237.206 -0.285 50 20 BBGD CN1C[C@H](C(=O)NNc2ncccn2)CC1=O 298269400 CHFGXTALWCABGW-SSDOTTSWSA-N 235.247 -0.602 50 20 BBGD CCO/C=C(/C#N)C(=O)N[C@@H]1CC(=O)N(C)C1 490754414 OLLMHWLUIPLOCM-UFGYOYAJSA-N 237.259 -0.223 50 20 BBGD CCO[C@@H](CC(=O)NCB(O)O)C(C)C 585060082 MFTAUVCANWAZJU-QMMMGPOBSA-N 217.074 -0.434 50 20 BBGD C[C@H]1OCCC1=NNC(=O)C(=O)N1CCCC1 747754374 XEWQNRXZYHGOPX-MRVPVSSYSA-N 239.275 -0.110 50 20 BBGD C[C@H](NS(C)(=O)=O)C(=O)NN=CC1(C)CC1 782221694 NCXXVFVSMJHVRE-ZETCQYMHSA-N 247.320 -0.174 50 20 BBGD CCOCCC=NNC(=O)C(=O)NC1CC1 788422620 HUXCUTHTIUCARY-UHFFFAOYSA-N 227.264 -0.206 50 20 BBGD C[C@H](CC(=O)O)C(=O)NNC(=O)NCC1CC1 827303295 DHHCMNLTZOHFMP-ZCFIWIBFSA-N 243.263 -0.162 50 20 BBGD COCCN(C)NC(=O)C[C@H]1CCCC(=O)N1 848378632 XXBCEOOZEMQPSJ-SECBINFHSA-N 243.307 -0.345 50 20 BBGD O=C(NOC1CCC1)c1cccc(B(O)O)c1 863883673 JCGUKTQOLVBJMB-UHFFFAOYSA-N 235.048 -0.420 50 20 BBGD C[C@H](CC(=O)NNC(=O)CO)c1ccco1 863903518 JPRGUZMORZKYPK-SSDOTTSWSA-N 226.232 -0.087 50 20 BBGD OCc1ccnc(N2CC[C@H](B(O)O)C2)c1 900965829 OBOWUXRIWNFAHH-VIFPVBQESA-N 222.053 -0.373 50 20 BBGD COC(=O)N(C)NC(=O)[C@@H]1[C@@H]2CCC(=O)[C@H]21 908113124 NBLVINGNMMWSOV-MHSYXAOVSA-N 226.232 -0.059 50 20 BBGD O=C(Cc1ncc[nH]1)NNC(=O)CC1CC1 1118709211 ZUWZNEOXGRRKME-UHFFFAOYSA-N 222.248 -0.100 50 20 BBGD COCCOCC(=O)NNC(=O)[C@@H]1C[C@@H]1F 1123842889 AJTVPIPMPNDXQC-RQJHMYQMSA-N 234.227 -0.845 50 20 BBGD C[C@H](O)CN(C)NC(=O)C1CCOCC1 1262178144 RLORJVUUJAOJDR-QMMMGPOBSA-N 216.281 -0.243 50 20 BBGD CCC(=O)NNS(=O)(=O)c1ccn(C)n1 1318199180 KRUGOAYYCPJZPO-UHFFFAOYSA-N 232.265 -0.860 50 20 BBGD Cn1ccnc(NNC(=O)C2CC2)c1=O 1319352912 NYGKREIMENKCIN-UHFFFAOYSA-N 208.221 -0.367 50 20 BBGD Nc1ncncc1CNC(=O)CCl 1328382003 UZFQGOINHHWVQK-UHFFFAOYSA-N 200.629 -0.086 50 20 BBGD CN(NC(=O)[C@@H]1C[C@H]1c1cncn1C)C(N)=O 1331866926 ZXDJDILUUOUIBV-RNFRBKRXSA-N 237.263 -0.435 50 20 BBGD CCn1ccc(CC(=O)NNc2cnnn2C)n1 1334722649 GXHPODXIWJRFAT-UHFFFAOYSA-N 249.278 -0.283 50 20 BBGD COC(=O)N(C)NC(=O)[C@]1(C(=O)O)C[C@H]1C 1593855829 NSMLXMLEMQXMGY-ANLVUFKYSA-N 230.220 -0.173 50 20 BBGD Cc1cc(C(=O)NNC(=O)c2cnccn2)[nH]n1 48818935 SXGPUTFSKUDKTO-UHFFFAOYSA-N 246.230 -0.417 50 20 BBGD CNC(=O)NNC(=O)CSc1nncs1 49119630 QEBDAPSIQSXAFQ-UHFFFAOYSA-N 247.305 -0.410 50 20 BBGD CN1CCO[C@@H](C(=O)NNc2cnccn2)C1 85525644 LCLPEYUHYYRWER-MRVPVSSYSA-N 237.263 -0.750 50 20 BBGD CC(=O)NNS(=O)(=O)CCCCCl 162557086 KIWUQILBGYVSRT-UHFFFAOYSA-N 228.701 -0.024 50 20 BBGD O=C(CO)NNC(=O)COC1CCCCC1 180965149 WWMVJVQWMPVETN-UHFFFAOYSA-N 230.264 -0.525 50 20 BBGD CCOC(=O)NNC(=O)[C@@H](C)NC(C)=O 490597521 GKPLBCNCMGVYRE-RXMQYKEDSA-N 217.225 -0.712 50 20 BBGD CCNC(=O)CCCC(=O)NNC(=O)OC 495367328 OTCSZNCNXIVYBT-UHFFFAOYSA-N 231.252 -0.320 50 20 BBGD OB(O)c1ccccc1CNC(CF)CF 585044151 ZNHOQRFJOVTLNK-UHFFFAOYSA-N 229.035 -0.236 50 20 BBGD Cc1ccc(OCC(=O)NCB(O)O)cc1C 585056977 FXBMDTYPJLPPFP-UHFFFAOYSA-N 237.064 -0.190 50 20 BBGD O=C(NCB(O)O)c1ccc(-n2cccn2)cc1 585057808 KZANZDRONXICAL-UHFFFAOYSA-N 245.047 -0.386 50 20 BBGD CC[C@@H]1CC[C@@H](C(=O)NCB(O)O)O1 585059874 DSJMXENNZSIYKH-RQJHMYQMSA-N 201.031 -0.928 50 20 BBGD CCOC(=O)NNC(=O)CCNC(=O)O 737145796 FIUMLVMDDATWFX-UHFFFAOYSA-N 219.197 -0.579 50 20 BBGD CC1(C)CC[C@H](C(=O)NNC(=O)CO)C1 753439369 MKYLIHNIMWRXRU-ZETCQYMHSA-N 214.265 -0.048 50 20 BBGD CCCNC(=O)NN=Cc1cn(C)nn1 755672648 HWPGAJDJTJJHAC-UHFFFAOYSA-N 210.241 -0.142 50 20 BBGD COC[C@@](C)(O)C(=O)NN=c1cc[nH]cc1 781020554 AEYIBFGKPXQASL-SNVBAGLBSA-N 225.248 -0.656 50 20 BBGD CNC(=S)N(C)NC(=O)[C@@H]1CCCCN1C 823553640 XUIFUUUXOJOLIJ-QMMMGPOBSA-N 244.364 -0.062 50 20 BBGD C[C@@H]1C[C@H](C(=O)NN(C)[C@H](C)CO)CO1 823935840 WQXXQDFJQAIFKI-HLTSFMKQSA-N 216.281 -0.245 50 20 BBGD CNCCNS(=O)(=O)CBr 850582279 OBCMSFLDWKUWGL-UHFFFAOYSA-N 231.115 -0.522 50 20 BBGD C[C@H](NC(=S)NNC(=O)[C@@H](C)O)C1CC1 855099116 RQHGLBGIENAMMQ-NTSWFWBYSA-N 231.321 -0.339 50 20 BBGD CC1(C=NNC(=O)CS(C)(=O)=O)CC1 863186678 HUOWEBRJLMXZPX-UHFFFAOYSA-N 218.278 -0.067 50 20 BBGD CC/C=C(\C)C(=O)NNC(=O)CS(C)(=O)=O 863460301 RJAWVVPYANZYNP-FNORWQNLSA-N 248.304 -0.465 50 20 BBGD CC[C@H](CO)C(=O)NN(C)CCOC 908114706 IZQZDNISRWSQNY-MRVPVSSYSA-N 204.270 -0.386 50 20 BBGD Cc1cc(=NNC(=O)NCC#CCO)cc[nH]1 923764642 MAOSZKYZHXCANL-UHFFFAOYSA-N 234.259 -0.566 50 20 BBGD CN(NC(=O)CCNC(C)(C)C)C(N)=O 935177654 PQHPQPCVVIYBAW-UHFFFAOYSA-N 216.285 -0.194 50 20 BBGD O=C1CC[C@@H](C(=O)NNc2ncncc2F)N1 1261247805 LDRBOOHOPNWPOB-LURJTMIESA-N 239.210 -0.663 50 20 BBGD COCCCC(=O)NNc1nnc(C)c(O)n1 1317924646 PAYQUQVXFAAGHC-UHFFFAOYSA-N 241.251 -0.245 50 20 BBGD CN(C)C(=O)NNC(=O)CCN1CCCC1=O 1318263543 XCBSZOGDGMCHRD-UHFFFAOYSA-N 242.279 -0.699 50 20 BBGD CCn1cc(C=NNC(=O)CCO)cn1 1322320525 NITYQMUTWWMVQX-UHFFFAOYSA-N 210.237 -0.265 50 20 BBGD COCCN(C)NC(=O)CCc1nc(C)no1 1324619080 WEWDSWACONTRNC-UHFFFAOYSA-N 242.279 -0.080 50 20 BBGD O=C(NNC(=O)[C@H](O)C1CC1)C1CCOCC1 1332350364 CUCRTWOFUSSCSH-SECBINFHSA-N 242.275 -0.669 50 20 BBGD C[C@H](O)CN(C)NC(=O)c1ccnc(O)c1 1334998508 RWXQQEVVJFQMGJ-ZETCQYMHSA-N 225.248 -0.255 50 20 BBGD N#Cc1ccc(C=NNC(=O)C(N)=O)c(F)c1 1340809254 PNBMTOYJFXDQDL-UHFFFAOYSA-N 234.190 -0.367 50 20 BBGD COCC[C@@H](N)C(=O)NN[C@H](C)C(F)(F)F 1573978405 RZBJRYCKYYOGOY-PHDIDXHHSA-N 243.229 -0.078 50 20 BBGD N#Cc1ccc(C(=O)NNC(=O)NCCN)cc1 1574245366 NYNBZXLQTCNXLL-UHFFFAOYSA-N 247.258 -0.539 50 20 BBGD N[C@@H]1[C@@H](C(=O)NNC(=O)C2CC2)[C@H]2C=C[C@H]1C2 1574284878 YWHUNBDCUREQLB-XKNYDFJKSA-N 235.287 -0.307 50 20 BBGD C[C@H](O)CN(C)NC(=O)[C@@]1(C(=O)O)CC1(C)C 1589152953 USATUVBWCLZAJI-WRWORJQWSA-N 244.291 -0.169 50 20 BBGD NNC(=O)c1cccc(CN2C(=O)CNC2=O)c1 70154085 GEDRCHWFKCCKRZ-UHFFFAOYSA-N 248.242 -0.658 50 20 BBGD Cc1cc(C(=O)NNC(=O)Cc2cc[nH]n2)[nH]n1 151196109 VNPVLQOHCKYVPH-UHFFFAOYSA-N 248.246 -0.555 50 20 BBGD COc1cc(C)nc(NNC(=O)[C@@H](C)N)n1 160876077 KEIIAVBXUUDILE-ZCFIWIBFSA-N 225.252 -0.416 50 20 BBGD NC(=O)C(=O)NN=C1CCc2ccccc21 254290080 IFVAOHIVVMLWMZ-UHFFFAOYSA-N 217.228 -0.062 50 20 BBGD CC(=O)NNC(=O)C1SCCS1 270614732 PPSXIMRANAAKBQ-UHFFFAOYSA-N 206.292 -0.040 50 20 BBGD C[C@@H](CCCCO)NCc1ccc(B(O)O)o1 585043067 HIWQWXGNRQYTOT-VIFPVBQESA-N 241.096 -0.400 50 20 BBGD CC(C)Cn1cc(C(=O)NCB(O)O)cn1 585061971 AGRZKERXPCRLSX-UHFFFAOYSA-N 225.057 -0.719 50 20 BBGD Cc1c(F)cccc1C(=O)NCB(O)O 585062217 DIWVVLWOQWHXNS-UHFFFAOYSA-N 211.001 -0.124 50 20 BBGD CCOC(=O)CC(=O)NNC(=O)C(C)C 751294335 PGYMBZWXZPKESP-UHFFFAOYSA-N 216.237 -0.257 50 20 BBGD CCOCC(=O)NNC(=O)Nc1ccncn1 770768357 KJNSAZVEXXTGMV-UHFFFAOYSA-N 239.235 -0.334 50 20 BBGD Cc1ccc(C(=O)C(=O)NNC(=O)CO)cc1 777781061 FXXLVOBTCCAPJC-UHFFFAOYSA-N 236.227 -0.683 50 20 BBGD O=C(Cn1cncn1)NNc1ccnc(F)c1 781357248 HCXGXQJGJQPCBC-UHFFFAOYSA-N 236.210 -0.045 50 20 BBGD CO[C@H](C(=O)NNC(=O)N(C)C)C1CC1 792104553 HLFIAQBWWLSDSI-ZETCQYMHSA-N 215.253 -0.286 50 20 BBGD C=CCNC(=S)NNC(=O)c1ccn(C)n1 798306632 OXRVPYQDCFRJPX-UHFFFAOYSA-N 239.304 -0.285 50 20 BBGD O=C(NNC(=O)[C@@H]1CC1(F)F)c1ncon1 832826279 VIDNUPLDYQPQGY-VKHMYHEASA-N 232.146 -0.514 50 20 BBGD O=C(NNc1ccncn1)C1(n2cnnn2)CC1 854746722 FYCUOEDRSMMPGN-UHFFFAOYSA-N 246.234 -0.905 50 20 BBGD CNC(=S)N(C)NC(=O)C(C)(C)O 854922985 VRVKBRDAWOTNJI-UHFFFAOYSA-N 205.283 -0.775 50 20 BBGD COC(C)(C)CC(=O)NNC(=O)c1cn[nH]c1 862470592 RQIVKWUXPGCELX-UHFFFAOYSA-N 240.263 -0.014 50 20 BBGD C#C[C@H](CC)NCc1ccccc1B(O)O 863890150 NPPOXWCAGSVBLS-LLVKDONJSA-N 217.077 -0.132 50 20 BBGD C#CCCCNC(=O)c1cccc(B(O)O)c1 866133674 ZPCTTYXZSPUTEQ-UHFFFAOYSA-N 231.060 -0.490 50 20 BBGD CN(C)CC(=O)NNC(=S)NC(C)(C)C 899995187 LJPJQANBNMNJIN-UHFFFAOYSA-N 232.353 -0.158 50 20 BBGD C[C@H](O)CN(C)NC(=O)[C@]1(C)CCOC1 910151709 IRPGLSJONLBAMY-WCBMZHEXSA-N 216.281 -0.243 50 20 BBGD CNC(=O)CCCNC(=O)NNC(=O)C(C)C 918235187 KIKAQKIXRZGDQE-UHFFFAOYSA-N 244.295 -0.501 50 20 BBGD C[C@H](O)C(=O)NNC(=O)Cc1cccnc1 1136708767 LCCFCCHZINHKAG-ZETCQYMHSA-N 223.232 -0.848 50 20 BBGD CC(=O)NNC(=O)c1n[nH]c(C)c1[N+](=O)[O-] 1254955792 OHXAGXZWSQXYIY-UHFFFAOYSA-N 227.180 -0.593 50 20 BBGD N#C[C@H]1CCCC(=NNC(=O)C(N)=O)C1 1327798334 UQVRIAUQUFZJBY-LURJTMIESA-N 208.221 -0.342 50 20 BBGD CC(C)(C)CC(=O)NNC(=O)COCC(=O)O 1588642258 BNAKJJATQWKDMM-UHFFFAOYSA-N 246.263 -0.329 50 20 BBGD Cn1cc(C(=O)NN=CCCCC(=O)O)nn1 1594530167 BQXJOCICGOBTAG-UHFFFAOYSA-N 239.235 -0.214 50 20 BBGD C[C@@H]1C[C@@H]1CNC(=O)NNC(=O)C(=O)O 1609846977 KXSVDBAWPGQCLG-RFZPGFLSSA-N 215.209 -0.943 50 20 BBGD Cc1ccc(-c2nnn(CC(=O)NN)n2)cc1 6234058 PMQZFLAWFIMVFA-UHFFFAOYSA-N 232.247 -0.362 50 20 BBGD COC(=O)C[C@H](C)C(=O)NN(C)C(N)=O 272163253 IBYZENJOQDAWDN-YFKPBYRVSA-N 217.225 -0.773 50 20 BBGD CC[C@@H](Cl)C(=O)N1C[C@H]2C(=O)NC(=O)[C@H]2C1 409429774 SVMLRNZPGHIXOW-DSYKOEDSSA-N 244.678 -0.265 50 20 BBGD C[C@H]1OC(=O)N[C@@H]1C(=O)NNC(=O)CC1CC1 496570694 KTMCTHFHFMEQJT-XRGYYRRGSA-N 241.247 -0.569 50 20 BBGD O=C1NCCC[C@H]1COc1ccc(B(O)O)cc1 584909522 FPIDQCGPCXFTPS-VIFPVBQESA-N 249.075 -0.729 50 20 BBGD OB(O)c1ccc(CNCCn2cccn2)cc1 585018743 QVFCRGYDYARXSO-UHFFFAOYSA-N 245.091 -0.647 50 20 BBGD Cn1nncc1C=NNC(=O)c1ccncc1 751128203 ZMZGFJQQDWNKNJ-UHFFFAOYSA-N 230.231 -0.026 50 20 BBGD Cc1cc(C(=O)NN=Cc2cn(C)nn2)n[nH]1 755789581 LZNGTQFWDCYERY-UHFFFAOYSA-N 233.235 -0.389 50 20 BBGD CC(C)(O)C(=O)NNC(=O)C1=COCC1 768254600 AOYAYYSWGMSQAB-UHFFFAOYSA-N 214.221 -0.791 50 20 BBGD O=C(NN=c1cc[nH]cc1)c1cnc[nH]1 780757617 UIYJPKRSBKRVBZ-UHFFFAOYSA-N 203.205 -0.017 50 20 BBGD CCC(=O)NNS(=O)(=O)c1ccco1 783526796 MOQXNESEMJHBAS-UHFFFAOYSA-N 218.234 -0.001 50 20 BBGD O=C(CO)NN=Cc1cc(C(F)(F)F)n[nH]1 799486046 YBJILIGSTCRUAK-UHFFFAOYSA-N 236.153 -0.129 50 20 BBGD COCCN(C)NC(=O)[C@H]1COCCO1 816562446 MADZZVOJNKSLIL-MRVPVSSYSA-N 218.253 -0.989 50 20 BBGD COC/C=C/C(=O)NN(C)[C@@H](C)CO 823901925 IERYQJYDEGQTTM-ZJELKQJVSA-N 202.254 -0.467 50 20 BBGD NNC(=O)[C@@]1(c2ccccc2)CCNC1 825640037 XZPULIMFXJQLHP-NSHDSACASA-N 205.261 -0.092 50 20 BBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)C1(O)CCC1 843970778 LEHWQTCXSXGPAR-SFYZADRCSA-N 242.275 -0.526 50 20 BBGD COC/C(C)=C\C(=O)NNC(=O)c1cc[nH]n1 855354826 JXRLPNVGNRPXBF-ALCCZGGFSA-N 238.247 -0.237 50 20 BBGD C#C[C@H](CC)NCc1cccc(B(O)O)c1 863889673 HLODKZLFGQDNHC-GFCCVEGCSA-N 217.077 -0.132 50 20 BBGD CC(=O)NNC(=O)[C@@H](C)OC[C@H]1CCCO1 921073605 HKYJBENCLUCZMS-VXNVDRBHSA-N 230.264 -0.262 50 20 BBGD CC(=NNC(=O)C(N)=O)c1cnc(C)nc1C 1116119968 QOLDDBAZMPPJKZ-UHFFFAOYSA-N 235.247 -0.581 50 20 BBGD COC(=O)C(=O)NN=C1COC[C@@H]1C 1262035453 KBSNKKRAJGIQJP-YFKPBYRVSA-N 200.194 -0.702 50 20 BBGD Cn1cc([C@H](O)CNC(=O)CCl)cn1 1323269764 QLMIZNYKJRHQTI-SSDOTTSWSA-N 217.656 -0.192 50 20 BBGD NC(=O)Cn1ccc(NC(=O)CCl)n1 1324706814 QLRJIVLPEFWGDE-UHFFFAOYSA-N 216.628 -0.454 50 20 BBGD Cc1nc(C(=O)NN(C)C(N)=O)c(C)o1 1327851962 VONYJQYAPNSYOI-UHFFFAOYSA-N 212.209 -0.053 50 20 BBGD Cc1n[nH]cc1C(=O)NNC(=O)[C@@H]1C[C@H]1F 1346416498 TYJHONGWHCOWDF-IYSWYEEDSA-N 226.211 -0.163 50 20 BBGD COC[C@@H](C)NC(=O)NNC(=O)c1cn[nH]c1 1351341160 AYTPBIPLCCZINM-ZCFIWIBFSA-N 241.251 -0.611 50 20 BBGD CC(C)(N)CC(=O)NNC(=O)c1cccnc1 1573483571 RILIHJKRNWVUHD-UHFFFAOYSA-N 236.275 -0.030 50 20 BBGD Cc1cnc(F)c(C(=O)NNC(=O)CN)c1 1579822178 MAJDJXFFLPOPMT-UHFFFAOYSA-N 226.211 -0.751 50 20 BBGD C[C@H](O)CN(C)NC(=O)C12CC(C(=O)O)(C1)C2 1593457486 VYABBPMAGWAIPR-ARTQYDKTSA-N 242.275 -0.415 50 20 BBGD N#C/C(=C/c1cn(CC(=O)O)nn1)C(=O)O 1608170571 SCWUTMBYIKXSAZ-KTAJNNJTSA-N 222.160 -0.646 50 20 BBGD CC(=O)NNC(=O)/C=C/c1cnn(C)c1 47983467 HYDUYTMZRLNMQU-ONEGZZNKSA-N 208.221 -0.399 50 20 BBGD O=C(CO)NNC(=O)c1cc(F)ccc1O 180955247 MXOCUBFFJBNWFW-UHFFFAOYSA-N 228.179 -0.715 50 20 BBGD COC(=O)NNC(=O)CC[C@@]1(C)CCC(=O)N1 495407509 KSNYVVCFHPHDSM-SNVBAGLBSA-N 243.263 -0.178 50 20 BBGD COCC1(C(=O)Nc2cccc(B(O)O)c2)CC1 584913835 KJNZUQZYGGLBAJ-UHFFFAOYSA-N 249.075 -0.269 50 20 BBGD CCOCCNC(=O)c1cccc(B(O)O)c1 584930307 IJEXRYUEVWTZAN-UHFFFAOYSA-N 237.064 -0.867 50 20 BBGD CC[C@@H](C)C(=O)NNC(=S)NCC(N)=O 727076628 ITFJMOVSBJECGR-RXMQYKEDSA-N 232.309 -0.987 50 20 BBGD CC(C)n1cc(S(=O)(=O)NNC(=O)O)cn1 736532290 HXUGLHBTDGYHLU-UHFFFAOYSA-N 248.264 -0.075 50 20 BBGD C=C(CN(C)C)C(=O)NNC(=O)C1CC1 763917960 DNTYMZXEWBFAKA-UHFFFAOYSA-N 211.265 -0.338 50 20 BBGD O=C(CO)NN=C1C(=O)Nc2ccccc21 776779764 LHRBCPZYQNSNME-UHFFFAOYSA-N 219.200 -0.549 50 20 BBGD O=C(NNC(=O)c1ccncn1)c1ccncc1 778277729 CNEVYSRYCOIUPI-UHFFFAOYSA-N 243.226 -0.054 50 20 BBGD CCC(COC)=NNC(=O)NCC(=O)OC 779816792 NDLFOCAZIXXVTG-UHFFFAOYSA-N 231.252 -0.129 50 20 BBGD CC(=O)NNC(=O)c1cccc(NC(N)=O)c1 789817481 XBQYHCILVJJBGM-UHFFFAOYSA-N 236.231 -0.042 50 20 BBGD CC(=O)NNS(=O)(=O)c1ccc(C)nc1 795279638 YZOBMAISXXCCCC-UHFFFAOYSA-N 229.261 -0.281 50 20 BBGD CC(=O)NNC(=O)c1cccc(C#N)n1 809960044 SCWUDLYXFDITAK-UHFFFAOYSA-N 204.189 -0.266 50 20 BBGD C[C@H](O)CN(C)NC(=O)COC(F)(F)F 822558940 YZQFKOFQYXKRJZ-YFKPBYRVSA-N 230.186 -0.133 50 20 BBGD Cc1cccc(C(=O)NNC(=O)[C@H]2C[C@@H](O)C2)n1 822589818 JCYRUCMYKLCQQE-DTORHVGOSA-N 249.270 -0.078 50 20 BBGD C[C@@H](CO)N(C)NC(=O)c1nc[nH]c2nccc1-2 823913351 SINIPUHSDPCKFY-ZETCQYMHSA-N 249.274 -0.133 50 20 BBGD CC(C)(CO)C(=O)NNC(=O)CC1CC1 848144397 SEYGXUMNCZBKAE-UHFFFAOYSA-N 214.265 -0.048 50 20 BBGD C[C@@H](C(=O)NNC(=O)[C@H]1CCC(=O)N1)C1CC1 862456165 MZMSPSIKYIHUTB-HTRCEHHLSA-N 239.275 -0.542 50 20 BBGD O=C(CO)NN=Cc1cnc2n1CCC2 1118589584 LYWULFGALGKHJA-UHFFFAOYSA-N 208.221 -0.728 50 20 BBGD CC(C)(O)C(=O)NNC(=O)C1(F)CCOCC1 1118961173 ISLPOMSXRHWYEQ-UHFFFAOYSA-N 248.254 -0.577 50 20 BBGD CCNC(=O)NNC(=O)c1cn(C)nc1OC 1331955994 QCMODEFXFXNJAR-UHFFFAOYSA-N 241.251 -0.607 50 20 BBGD Cn1nncc1NNC(=O)C(C)(C)C(=O)O 1594598545 UVTMIGIKUSEBMF-UHFFFAOYSA-N 227.224 -0.631 50 20 BBGD Cc1nc(NC(=O)NNC(=O)C(=O)O)oc1C 1600714674 KIUZPPILUSPLLG-UHFFFAOYSA-N 242.191 -0.471 50 20 BBGD O=C(CCl)N1CC[C@](O)(C(=O)O)C1 1601299072 USULZQKXWRICRU-SSDOTTSWSA-N 207.613 -0.727 50 20 BBGD COC(=O)N(C)NC(=O)c1cncc(OC)n1 286365232 NHAMQBSOTISXCQ-UHFFFAOYSA-N 240.219 -0.172 50 20 BBGD C#CCO[C@H](C)C(=O)NN(C)C(=O)NCC 296995146 FPAXHLRYEVGKFH-MRVPVSSYSA-N 227.264 -0.283 50 20 BBGD CCOC(=O)NNS(=O)(=O)C[C@H](C)OC 497011784 AOBJAJFBUOLHFK-LURJTMIESA-N 240.281 -0.398 50 20 BBGD OB(O)c1ccc(OC[C@H]2C[C@@H](O)C2)cc1 584910731 SFDZWXCHCZGHTN-WAAGHKOSSA-N 222.049 -0.484 50 20 BBGD CC[C@@H](C)NC(=O)c1ccc(B(O)O)cc1 584923081 CMQOLWOBIBMAAU-MRVPVSSYSA-N 221.065 -0.105 50 20 BBGD CN1CCC(NCc2cccc(B(O)O)c2)CC1 585014293 MPHJTTJYRSLSDI-UHFFFAOYSA-N 248.135 -0.450 50 20 BBGD CC(C)(O)CNCc1ccc(B(O)O)cc1 585023491 LVXIIXXIGQCMBL-UHFFFAOYSA-N 223.081 -0.773 50 20 BBGD Cc1ccc(S(=O)(=O)NCB(O)O)c(C)c1 585055164 YPQATVILJOYMBI-UHFFFAOYSA-N 243.093 -0.406 50 20 BBGD C[C@@H](CO)SCC(=O)NNC(=O)C1CC1 742459536 HMSGVSJRXRFMIU-LURJTMIESA-N 232.305 -0.342 50 20 BBGD Cc1n[nH]cc1C(=O)NNC(=O)c1ncccn1 743339975 VSNRJFJAPQKMIM-UHFFFAOYSA-N 246.230 -0.417 50 20 BBGD C[C@H](C#N)C(=O)NNc1ncnc2[nH]cnc12 743469752 KVOFWCOGYWKAID-RXMQYKEDSA-N 231.219 -0.044 50 20 BBGD CC[C@H](C)CCC(=O)NNC(=O)CO 807198293 JBWFNDXQTZTNGO-ZETCQYMHSA-N 202.254 -0.048 50 20 BBGD C#C[C@H](C)NC(=O)NNC(=O)[C@H]1CCCCO1 820401033 VABPGMKTHQMESU-DTWKUNHWSA-N 239.275 -0.092 50 20 BBGD CCc1ncncc1C(=O)NN(CC)CCO 823853107 ZZZGJOXINGKNIE-UHFFFAOYSA-N 238.291 -0.002 50 20 BBGD CC[C@@H]1COCC1=NNC(=O)[C@H]1CCC(=O)N1 863151528 NXJAJMRAEJERCJ-HTQZYQBOSA-N 239.275 -0.206 50 20 BBGD COCCOCC(=O)NN=Cc1cc[nH]n1 872401132 HYAKQETTWMOLSU-UHFFFAOYSA-N 226.236 -0.477 50 20 BBGD O=C(CO)NN=C1CCOC2(CCOCC2)C1 884445959 BSAFIFYFNHSNEP-UHFFFAOYSA-N 242.275 -0.190 50 20 BBGD C[C@H]1CN(C)CC1=NNC(=O)c1ncon1 901290152 QJGNGBJVFRCRJC-LURJTMIESA-N 223.236 -0.263 50 20 BBGD CC(C)C(=O)NNC(=O)CSC1COC1 901633812 LEHCEURMIHTZSK-UHFFFAOYSA-N 232.305 -0.078 50 20 BBGD CCCn1cc(C(=O)NN(C)C[C@@H](C)O)nn1 910156734 WRLVKCLPFWILPZ-MRVPVSSYSA-N 241.295 -0.355 50 20 BBGD C[C@@H](O)CN(C)NC(=O)[C@H]1CCCCN1C 910166820 CMQQJFWQOYRVOE-NXEZZACHSA-N 229.324 -0.186 50 20 BBGD NC(=O)NN=C1C(=O)Nc2cc(O)ccc21 915934007 QHEXJLBWXIMYCH-UHFFFAOYSA-N 220.188 -0.283 50 20 BBGD CCNC(=O)NNC(=O)COC(F)(F)F 930731861 OVKBRMXDTUXUSY-UHFFFAOYSA-N 229.158 -0.127 50 20 BBGD Cc1nn[nH]c1C(=O)NNC(=O)C1CC1 1116743089 ZWHRUYCMJQHXTC-UHFFFAOYSA-N 209.209 -0.716 50 20 BBGD C=CC[C@H](NCc1ccccc1B(O)O)C(=O)O 1119601356 BYKNUIVMMZQATQ-NSHDSACASA-N 249.075 -0.515 50 20 BBGD CC(=NNC(=O)[C@@H]1CCC(=O)N1)c1ncc[nH]1 1120073176 BCKLYHRGKZVCNE-ZETCQYMHSA-N 235.247 -0.472 50 20 BBGD CN(NC(=O)CCc1cnn(C)c1)C(N)=O 1319729569 NRBUBOYPZQNDFP-UHFFFAOYSA-N 225.252 -0.606 50 20 BBGD CC(C)NC(=O)NNC(=O)c1cnn(C)c1N 1320447273 JVMYBHAYJOMBHN-UHFFFAOYSA-N 240.267 -0.645 50 20 BBGD O=C1CC[C@H](C(=O)NNC(=O)[C@@H]2CC2(F)F)N1 1330108642 PUDUSLBBHHCIGU-CRCLSJGQSA-N 247.201 -0.932 50 20 BBGD CN(NC(=O)c1cnc2n1CCC2)C(N)=O 1331317183 DTBKXRFKNRDTFA-UHFFFAOYSA-N 223.236 -0.515 50 20 BBGD CCNC(=O)NNC(=O)[C@H](C)c1cnccn1 1353988540 FDMNUIYWUUTPAZ-SSDOTTSWSA-N 237.263 -0.070 50 20 BBGD COC(=O)NNC(=O)c1cnc(C(=O)O)cn1 1593858302 KRNDJXUMHDAAFE-UHFFFAOYSA-N 240.175 -0.824 50 20 BBGD CCCNC(=O)NNC(=O)c1csnn1 49279198 QTVFSHLOYRKBOB-UHFFFAOYSA-N 229.265 -0.108 50 20 BBGD O=C(CO)NNC(=O)CCc1cccs1 180944131 VBHINKUZMICPNS-UHFFFAOYSA-N 228.273 -0.180 50 20 BBGD CC[C@@H](NNC(=O)c1cnn(C)c1)C(=O)OC 192850218 TZJHPCALQDWXTR-MRVPVSSYSA-N 240.263 -0.394 50 20 BBGD CN(NC(=O)CCn1cc(Cl)cn1)C(N)=O 272190305 NHPTZOSSWTVODW-UHFFFAOYSA-N 245.670 -0.032 50 20 BBGD CNS(=O)(=O)CC(=O)NCC(Cl)Cl 308330676 INEQLDXIPFMTRA-UHFFFAOYSA-N 249.119 -0.545 50 20 BBGD CC(C)NC(=O)NN=C1CCN(C)C1=O 761799575 KXKMFMMQQBREJP-UHFFFAOYSA-N 212.253 -0.088 50 20 BBGD CN(NC(=O)c1cccnc1N(C)C)C(N)=O 770436796 TUUDSFGAJDIORW-UHFFFAOYSA-N 237.263 -0.197 50 20 BBGD O=C(Cc1ccncc1)NNC(=O)[C@H](O)C1CC1 829560938 KBTRZXWIAMZGAB-LLVKDONJSA-N 249.270 -0.458 50 20 BBGD CCNC(=O)N(C)NC(=O)C[C@H](CN)OC 831944644 DUCUKCNWOYDBJQ-SSDOTTSWSA-N 232.284 -0.957 50 20 BBGD O=C(CN1CCOC1=O)NNc1ncccn1 873959406 KLLHWHBWPBWYMT-UHFFFAOYSA-N 237.219 -0.628 50 20 BBGD O=C(NNc1ncccn1)c1cn[nH]c1 1115893635 KQHNSKUCYOKEBO-UHFFFAOYSA-N 204.193 -0.043 50 20 BBGD CNC(=O)NNC(=O)C[C@@H]1CCCOC1 1116879439 AJIQBVMILVSOKO-ZETCQYMHSA-N 215.253 -0.237 50 20 BBGD CN(N)C(=O)Cc1ccc(C(N)=O)nc1 1573882479 IOAPSDCVBRAZFJ-UHFFFAOYSA-N 208.221 -0.945 50 20 BBGD NC[C@@H](O)CC(=O)NNC(=O)C1CCCC1 1580231932 MREBIGSPMPYTRA-QMMMGPOBSA-N 229.280 -0.966 50 20 BBGD NC(=O)NN=Cc1cccc(-c2nn[nH]n2)c1 1592731930 WRCDXYNKLKFRGB-UHFFFAOYSA-N 231.219 -0.131 50 20 BBGD N#CC1(c2cccc(B(O)O)c2)CCOCC1 1857776803 LSEKEMRUNIUCIV-UHFFFAOYSA-N 231.060 -0.062 50 20 BBGD CSCCNC(=S)NNC(=O)[C@H](C)O 271399080 JWQKGZIRPGWSPX-YFKPBYRVSA-N 237.350 -0.775 50 20 BBGD COC(=O)C[C@@H](C)CC(=O)NNC(=O)OC 289277470 FRPORYVTIKARBC-LURJTMIESA-N 232.236 -0.037 50 20 BBGD Nc1nccnc1C(=O)NNC(=O)CC1CC1 294317252 XZZKYBWFENTDCL-UHFFFAOYSA-N 235.247 -0.380 50 20 BBGD O=C(c1cccc(B(O)O)c1)N1CC[C@H](F)C1 584996029 VOVYAPOLZOYKOP-JTQLQIEISA-N 237.039 -0.450 50 20 BBGD CC[C@H](OC1CCCC1)C(=O)NCB(O)O 585059274 HEYGDLHPCJKCET-VIFPVBQESA-N 229.085 -0.148 50 20 BBGD C[C@@H](OCC1CC1)C(=O)N1CC[C@@H](B(O)O)C1 585075264 FXURYXBBGRFWTJ-PSASIEDQSA-N 241.096 -0.123 50 20 BBGD C#CCC[C@@H](O)CNS(=O)(=O)CCl 717911749 BXFRSBYYQBVFPX-SSDOTTSWSA-N 225.697 -0.124 50 20 BBGD CC(C)(C(=O)NNC(=O)CO)c1cccnc1 753440000 OKRRDGYKCDNHPW-UHFFFAOYSA-N 237.259 -0.501 50 20 BBGD COCC(=O)NN=C(C)CS(C)(=O)=O 761825192 RYLUZQWECVDOTQ-UHFFFAOYSA-N 222.266 -0.831 50 20 BBGD CCOCC(=O)O[C@H](C)C(=O)NNC(=O)CC 771894679 RJHAVTKYSOTFJA-SSDOTTSWSA-N 246.263 -0.488 50 20 BBGD CCNC(=O)NNC(=O)[C@@H]1CO[C@@H](C)C1 784149718 QTXMFCSOMKZAEK-BQBZGAKWSA-N 215.253 -0.238 50 20 BBGD CO[C@H](C(=O)NNC(=O)CN(C)C)C1CC1 792637080 COBYCMYQKJQXNN-VIFPVBQESA-N 229.280 -0.880 50 20 BBGD O=C(CO)NNC(=O)Cc1ccc2c[nH]nc2c1 807195569 HRZGKBBYKWKUSH-UHFFFAOYSA-N 248.242 -0.755 50 20 BBGD CC(C)OC1CC(=NNC(=O)C(N)=O)C1 814696941 RLAKSXPWKCDSMP-UHFFFAOYSA-N 213.237 -0.469 50 20 BBGD C[C@H](CO)N(C)NC(=O)[C@H]1C[C@@]12CCOC2 823934050 ANWDQRGLQXELTM-FXPVBKGRSA-N 228.292 -0.243 50 20 BBGD C[C@@H](CN)CNS(=O)(=O)CBr 850587110 PEVGURYKVDQXON-YFKPBYRVSA-N 245.142 -0.147 50 20 BBGD O=CN1CCC[C@@H]1C(=O)NNC(=O)CC1CC1 854667460 KQCLTQVWAHIGAY-SECBINFHSA-N 239.275 -0.445 50 20 BBGD CC(=O)CCCC(=O)NNC(=O)c1cn[nH]c1 862473538 UYDKUIBYOGJYMD-UHFFFAOYSA-N 238.247 -0.070 50 20 BBGD C#CCCCNC(=O)c1ccc(B(O)O)cc1 866133477 QHIUJXLNTNMUEI-UHFFFAOYSA-N 231.060 -0.490 50 20 BBGD O=C(CN1CCCC1)NNC(=O)c1ccncc1 873721641 XSNQORCFBNDIRT-UHFFFAOYSA-N 248.286 -0.062 50 20 BBGD COCCOC(=O)NN(C)C(=O)OC 885185991 ZTUSFSIGHALXCI-UHFFFAOYSA-N 206.198 -0.028 50 20 BBGD CN1C(=O)CCC[C@@H]1C(=O)NNC(=O)C1CC1 905090533 VYEMTMOEVXIJSE-MRVPVSSYSA-N 239.275 -0.445 50 20 BBGD COCCN(C)NC(=O)[C@H]1CCCC(=O)N1C 908115993 VHOQNLZHMKDOLT-SECBINFHSA-N 243.307 -0.393 50 20 BBGD CCNC(=O)NNC(=O)[C@@H](C)OCCOCC 920858153 ZXAFCNVCSHZIQJ-MRVPVSSYSA-N 247.295 -0.222 50 20 BBGD COc1cc(C(=O)NNC(=O)C2CC2)ncn1 929230231 PABZESBJJFIPFG-UHFFFAOYSA-N 236.231 -0.344 50 20 BBGD Cc1nc(CC(=O)NNC(=O)NC2CC2)n[nH]1 1118636396 OSHBONYOHRHWJW-UHFFFAOYSA-N 238.251 -0.852 50 20 BBGD Cn1nncc1NNC(=O)[C@]1(C)CCOC1 1347988872 ZIGKGNRCBPCYPH-SECBINFHSA-N 225.252 -0.315 50 20 BBGD CCNC(=O)NNC(=O)c1cc(C(=O)O)on1 1596471433 YRMPCYASVBNVHT-UHFFFAOYSA-N 242.191 -0.663 50 20 BBGD COCC(=O)NC1CCN(C(=O)CCl)CC1 37831850 HUBKKVAEMXLLEA-UHFFFAOYSA-N 248.710 -0.021 50 20 BBGD CCn1ccnc1C(=O)NNC(=O)C(C)(C)O 292729104 DNMCZDZXHBLYID-UHFFFAOYSA-N 240.263 -0.565 50 20 BBGD C#C[C@@H](C)N(C)CC(=O)NNC(=O)C1CC1 491710960 UHBIVQQUDKEVBG-MRVPVSSYSA-N 223.276 -0.503 50 20 BBGD CC(C)(O)CNCc1ccccc1B(O)O 585024616 ZKZAKXLNSGPMRB-UHFFFAOYSA-N 223.081 -0.773 50 20 BBGD CC1(C)[C@@H](O)C[C@@H]1NCc1ccc(B(O)O)o1 585036866 QRUCQSWWVRXJBF-IUCAKERBSA-N 239.080 -0.792 50 20 BBGD Cn1cc(C(=O)NNC(=O)c2cnc[nH]2)cn1 735521931 JDZKCIFLJPYWSP-UHFFFAOYSA-N 234.219 -0.782 50 20 BBGD Cc1n[nH]cc1C(=O)NNC(=O)[C@H](C)C#N 736673030 DJQNELBVBXIEJU-RXMQYKEDSA-N 221.220 -0.361 50 20 BBGD CC(=O)NNC(=O)c1cc([N+](=O)[O-])cn1C 762819559 WNNKMIORQRRGQY-UHFFFAOYSA-N 226.192 -0.286 50 20 BBGD O=C(CO)NN=C1CC(=O)N2CCCC[C@H]12 799485407 OKTQHYIZJOUTKK-MRVPVSSYSA-N 225.248 -0.764 50 20 BBGD C[C@@H](CO)N(C)NC(=O)CNC(=O)C(C)(C)C 823983396 SLYCPNXSARFKRV-QMMMGPOBSA-N 245.323 -0.508 50 20 BBGD CCNC(=O)N(C)NC(=O)[C@H](COC)OC 831853513 AYYQHWRLHCGYBE-ZETCQYMHSA-N 233.268 -0.660 50 20 BBGD CCNC(=O)N(C)NC(=O)CCCN 831945812 WQSWVUZEMIFOML-UHFFFAOYSA-N 202.258 -0.582 50 20 BBGD CC(C)[C@H](NC(=O)O)C(=O)NN(C)C(N)=O 833468962 SJIHWNAYWLZZNI-YFKPBYRVSA-N 232.240 -0.680 50 20 BBGD COc1nn(C)cc1C(=O)NN(C)[C@H](C)CO 883972798 VKMTYMBNBHUTEO-SSDOTTSWSA-N 242.279 -0.614 50 20 BBGD C[C@@H](O)CN(C)NC(=O)c1cc(C=O)c[nH]1 910144403 HQIUOCHYSXEQDE-SSDOTTSWSA-N 225.248 -0.215 50 20 BBGD CC1(C(=O)NNC(=O)CN2CCCC2=O)CC1 913731479 KDGHWUMXWUEKNL-UHFFFAOYSA-N 239.275 -0.444 50 20 BBGD C[C@@H]1CCN1C(=O)c1ccc(B(O)O)cc1 914166053 VLMBMAXIJZOWGV-MRVPVSSYSA-N 219.049 -0.399 50 20 BBGD O=C(NNC(=O)[C@@H]1CCCO1)C1CCOCC1 1331688045 SUSQXSROELALTJ-VIFPVBQESA-N 242.275 -0.261 50 20 BBGD COc1cccc2c1CC[C@]2(N)C(=O)NN 1341633547 FLEAUUKLWBLJNP-LLVKDONJSA-N 221.260 -0.215 50 20 BBGD CCOC(=O)NNC(=O)[C@@H]1CCN(C)C(=O)C1 44338588 KACNRAIVNSWBEE-SSDOTTSWSA-N 243.263 -0.368 50 20 BBGD CN(C)CC(=O)NNC(=O)C[C@@H]1CCCCO1 131032883 YVCWYWQPDMYLHX-VIFPVBQESA-N 243.307 -0.345 50 20 BBGD CN(C)CC(=O)NNC(=O)c1ccncc1 171347626 CFOAEPILWOREMT-UHFFFAOYSA-N 222.248 -0.596 50 20 BBGD Cc1cc(C(=O)NNC(=O)C2(C)COC2)[nH]n1 272898278 BAVICSSRMDCKKA-UHFFFAOYSA-N 238.247 -0.484 50 20 BBGD C[C@@H](CC(N)=O)C(=O)NNC(=O)c1ccccc1 282801000 AIVUHUBUSPNCOB-QMMMGPOBSA-N 249.270 -0.041 50 20 BBGD COC(=O)N(C)NC(=O)Cn1ccccc1=O 286208818 DXQUGQVYKPLWNY-UHFFFAOYSA-N 239.231 -0.422 50 20 BBGD C[C@@H](CF)NCc1ccccc1B(O)O 585041532 QSYMHNFZACIXKI-QMMMGPOBSA-N 211.045 -0.186 50 20 BBGD CC(C)CCn1cc(C(=O)NCB(O)O)nn1 585060651 VEBXKLXQCCDLIO-UHFFFAOYSA-N 240.072 -0.934 50 20 BBGD O=C(Cc1c[nH]c2ccccc12)NCB(O)O 585062083 CPZDSTKANDRDMV-UHFFFAOYSA-N 232.048 -0.161 50 20 BBGD C[C@H](C(=O)NC(N)=O)N1CC=C(C#N)CC1 779589294 FWZONZSRDNAFDX-SSDOTTSWSA-N 222.248 -0.275 50 20 BBGD N#Cc1ccc(C(=O)NNC(=O)CO)cc1O 785412924 BVMMPUBJSRILPF-UHFFFAOYSA-N 235.199 -0.983 50 20 BBGD Cc1ocnc1C(=O)NNC(=O)C(C)(C)O 787947047 HPWDHVQMAORCGW-UHFFFAOYSA-N 227.220 -0.485 50 20 BBGD CCCN(C)CC(=O)NN(CC)CCO 823855652 AGOLEPXPDLZSSV-UHFFFAOYSA-N 217.313 -0.326 50 20 BBGD N#C/C=C/CN1C(=O)N[C@]2(CCCNC2)C1=O 830549457 ONZUFNFLJJNLAF-GXFZAYBSSA-N 234.259 -0.260 50 20 BBGD C=CC(=O)N(C)CC(=O)NNC(=O)NC(C)C 858865902 QBOHZIMHYJJJDV-UHFFFAOYSA-N 242.279 -0.630 50 20 BBGD CCCCCC(=O)NNC(=O)[C@@H]1CCC(=O)N1 862449484 GUZAQJFAKCLCSE-QMMMGPOBSA-N 241.291 -0.007 50 20 BBGD C#CCCCC(=O)NNC(=O)[C@@H](O)C1CC1 887149026 HAVSQIKGFSRCBC-JTQLQIEISA-N 224.260 -0.292 50 20 BBGD CC[C@@H](C(=O)NN(C)C[C@H](C)O)N(C)C 910168083 ZURCAARQWXCBOY-IUCAKERBSA-N 217.313 -0.330 50 20 BBGD CO[C@]1(C(=O)NN(C)C[C@@H](C)O)CCSC1 910181520 CCYMHEPJJKCERR-PSASIEDQSA-N 248.348 -0.148 50 20 BBGD C=CCNC(=O)NNC(=O)c1cnn(C)c1 1318562228 JWLSWQGIVKQDND-UHFFFAOYSA-N 223.236 -0.450 50 20 BBGD CC[C@H](C)[C@@H](C)NC(=O)NNC(=O)C(=O)OC 1318940954 DMLTXWNCNTVDKI-NKWVEPMBSA-N 245.279 -0.076 50 20 BBGD O=C(CO[C@H]1CCOC1)NNC(=O)C1CCC1 1319361528 PANYTSNMRJKIMK-VIFPVBQESA-N 242.275 -0.261 50 20 BBGD CCCNC(=O)NNC(=O)c1[nH]c(O)nc1C 1329041025 VXPDSFIXTNEREN-UHFFFAOYSA-N 241.251 -0.222 50 20 BBGD O=C(CCc1cnn[nH]1)NNC(=O)C1CCC1 1330343357 OUEBENBXZYQXIA-UHFFFAOYSA-N 237.263 -0.315 50 20 BBGD C[C@H](O)CN(C)NC(=O)[C@@H]1[C@H]2CCCO[C@H]21 1336522290 UFGMKJQBHUFYEB-SGIHWFKDSA-N 228.292 -0.245 50 20 BBGD O=C(Cc1cc[nH]n1)NN=Cc1cnc[nH]1 1347633919 DALOFNIONCSUAH-UHFFFAOYSA-N 218.220 -0.174 50 20 BBGD COC(=O)N(C)NC(=O)N[C@H](C)CN 1578823267 WZPWNIJIAFHCEF-RXMQYKEDSA-N 204.230 -0.754 50 20 BBGD C[C@@H]1CC(=NNC(=O)NCC(=O)O)CO1 1604644449 ABNJKBFEZPLRKM-RXMQYKEDSA-N 215.209 -0.465 50 20 BBGD CSC[C@H](C)NCc1ccc(B(O)O)o1 585028796 NGIRGCPYPHHUFT-ZETCQYMHSA-N 229.110 -0.200 50 20 BBGD CCC[C@@H](CNCc1ccc(B(O)O)o1)OC 585043806 SEMNGBQWHNHVKP-VIFPVBQESA-N 241.096 -0.136 50 20 BBGD CCC(=O)NNS(=O)(=O)N(C)C(C)C 747596951 UMTWVRWNFXLANH-UHFFFAOYSA-N 223.298 -0.398 50 20 BBGD COC(=O)C1CCC(=NNC(=O)CO)CC1 754961994 RXCSVTBSIVJTKN-UHFFFAOYSA-N 228.248 -0.186 50 20 BBGD O=C(NNC(=O)C1CC1)c1ccnnc1 756753600 IFYIKFHIQDSUNC-UHFFFAOYSA-N 206.205 -0.352 50 20 BBGD O=C(CC1OCCO1)NNC(=O)NC1CC1 793202257 VJBZWFWSUULWAX-UHFFFAOYSA-N 229.236 -0.758 50 20 BBGD C[C@@H](CO)N(C)NC(=O)CCC(C)(C)O 823936048 YYSGBKHWIVUIST-QMMMGPOBSA-N 218.297 -0.119 50 20 BBGD CCO[C@@H]1C[C@H]1C(=O)NN(C)[C@H](C)CO 823971414 TVGGWMYKDRGJEG-IWSPIJDZSA-N 216.281 -0.245 50 20 BBGD C[C@H](CO)N(C)NC(=O)[C@@]1(F)CCOC1 1119105869 XQJCELNCNGIKSO-VXNVDRBHSA-N 220.244 -0.541 50 20 BBGD CC(C)NC(=S)NNC(=O)Cc1cc[nH]n1 1319260065 KKTHNWPVXKRSSW-UHFFFAOYSA-N 241.320 -0.144 50 20 BBGD Cc1nc[nH]c1C=NNC(=O)C(=O)NC(C)C 1319588130 MUKXIAKSHLCNEC-UHFFFAOYSA-N 237.263 -0.307 50 20 BBGD Cc1n[nH]cc1C(=O)NNC(=O)c1[nH]nnc1C 1321209377 OFUOABNQFHWHOS-UHFFFAOYSA-N 249.234 -0.781 50 20 BBGD CNC(=O)NNC(=O)c1ccc(O)cc1O 1323345830 NJFYMBWYEFIIAF-UHFFFAOYSA-N 225.204 -0.328 50 20 BBGD COC(=O)N(C)NC(=O)NOC[C@H]1CCOC1 1330435506 BFHDJYSMCNUMNR-ZETCQYMHSA-N 247.251 -0.133 50 20 BBGD Cc1nnc(NNC(=O)COC(F)F)nc1O 1346353529 YGFUVJJWCNORHU-UHFFFAOYSA-N 249.177 -0.432 50 20 BBGD CCO/C=C(/C#N)C(=O)N1CC[C@H](N)C1 1578099358 BTHQCMBEFLPYCI-FUOZMLNRSA-N 209.249 -0.010 50 20 BBGD O=S(=O)(CCl)NCCn1ccnn1 163929272 GZZDLWHIFOYNBA-UHFFFAOYSA-N 224.673 -0.606 50 20 BBGD N#C/C(=C/c1ccc(C(=O)O)[nH]1)S(N)(=O)=O 309716227 YYZVXDDRNSPUKT-UTCJRWHESA-N 241.228 -0.134 50 20 BBGD COCCCNC(=O)/C(C#N)=C\c1cn(C)nn1 491108888 YTLKFGPSACPXPT-TWGQIWQCSA-N 249.274 -0.125 50 20 BBGD CS[C@H]1CC[C@H]1NCc1ccc(B(O)O)o1 585029603 AYYPZULNGRMRMG-BDAKNGLRSA-N 241.121 -0.057 50 20 BBGD CC(C)NC(=O)NNC(=O)Cc1cnn(C)c1 751381482 KIFHGZOLYGKIPN-UHFFFAOYSA-N 239.279 -0.299 50 20 BBGD CN(NC(=O)c1ccc(CO)c(F)c1)C(N)=O 798302361 VLEYGBIUVQXBQW-UHFFFAOYSA-N 241.222 -0.027 50 20 BBGD Cn1cccc1C(=O)NNC(=O)Cc1ncc[nH]1 816824336 WCEAFUKKNNRHAV-UHFFFAOYSA-N 247.258 -0.248 50 20 BBGD Cc1nocc1C(=O)NNC(=O)CN(C)C 896129273 RAEIIYZXUOSIBG-UHFFFAOYSA-N 226.236 -0.694 50 20 BBGD CN(C)c1ncc(C=NNC(=O)CCO)cn1 1117704332 UDUNKPYGWLTDTI-UHFFFAOYSA-N 237.263 -0.625 50 20 BBGD CC(C)C(=O)NNC(=O)[C@@H]1CCNC(=O)C1 1253591493 KRPOGYWWDFAKHG-SSDOTTSWSA-N 227.264 -0.684 50 20 BBGD CNC(=O)NNC(=O)[C@@H](C)c1cnn(C)c1 1318954605 QOAUNOKASQDLQS-LURJTMIESA-N 225.252 -0.516 50 20 BBGD C[C@H](NNC(=O)C1(C(N)=O)CC1)C(F)(F)F 1329645280 ULLJHJYUYYBHGG-BYPYZUCNSA-N 239.197 -0.177 50 20 BBGD Cc1nnc(NC(=O)NNC(=O)CCO)s1 1337953527 LHNXJJXVJLRKMO-UHFFFAOYSA-N 245.264 -0.618 50 20 BBGD COCC#CC(=O)NN=c1cc[nH]c(C)c1 1348389420 VDRLUPJHXLUHOF-UHFFFAOYSA-N 219.244 -0.095 50 20 BBGD CCN(CCO)NC(=O)[C@H](C)[C@@H]1CCC(=O)N1 1348953384 DNTXQWMBYWYXEG-BDAKNGLRSA-N 243.307 -0.754 50 20 BBGD Cc1cccc(NNC(=O)[C@@H](N)CC(N)=O)n1 1574086553 QPNCWJJMMZWFRP-ZETCQYMHSA-N 237.263 -0.964 50 20 BBGD CC1CC(C#N)(C(=O)NNC(=O)[C@H]2CCN2)C1 1576582593 LAHOOZGRULPNFZ-JKDSDDBFSA-N 236.275 -0.564 50 20 BBGD CN(C)C(=O)NNC(=O)c1c[nH]c(C(=O)O)c1 1598139899 GPJCDQWVWBBREU-UHFFFAOYSA-N 240.219 -0.371 50 20 BBGD COC[C@H](C)C=NNC(=O)NCC(=O)O 1610243974 WPEWOUBJWKODDG-ZCFIWIBFSA-N 217.225 -0.362 50 20 BBGD O=C(O)c1c(F)cc(B(O)O)cc1Cl 1857783276 SBFXJCPPOGUMJH-UHFFFAOYSA-N 218.376 -0.143 50 20 BBGD COC(=O)NNC(=O)Nc1cc(OC)ncn1 272891622 XCWWVAFNUQLLJW-UHFFFAOYSA-N 241.207 -0.122 50 20 BBGD C#CCCCC(=O)NNC(=O)C(C)(C)O 277897808 GKRWLSIAYBUDPA-UHFFFAOYSA-N 212.249 -0.292 50 20 BBGD NC(=O)C(=O)NN=Cc1ccc(N)c(Cl)c1 381211796 HGEKXDVETZINKV-UHFFFAOYSA-N 240.650 -0.142 50 20 BBGD CN(C)C(=O)NNC(=O)CN1CCCCC1=O 729349033 YVWNXHZVKWQFQC-UHFFFAOYSA-N 242.279 -0.699 50 20 BBGD CC(C)NC(=O)NNC(=O)[C@@H]1COCCO1 745139178 ANZNSLVEILCQEQ-ZETCQYMHSA-N 231.252 -0.859 50 20 BBGD CO[C@@H](C)C(=O)NNC(=O)N1CCN(C)CC1 788168761 BTIYPVOARJHKKN-QMMMGPOBSA-N 244.295 -0.991 50 20 BBGD C=CCNC(=S)NNC(=O)[C@@H](C)C#N 798305060 HTNOMSMEZNJNAT-LURJTMIESA-N 212.278 -0.173 50 20 BBGD CC(C)(C)C(=O)NNC(=O)C[C@@H]1CCC(=O)N1 822243959 GKZQQJOMIXAFFJ-ZETCQYMHSA-N 241.291 -0.151 50 20 BBGD COCCN(C)NC(=O)CN1CCCC1 822843035 HIDMOBFWDBNGFZ-UHFFFAOYSA-N 215.297 -0.308 50 20 BBGD C#CC(=O)NNc1ccc(-c2nn[nH]n2)cc1 823838881 WEEVPDJBSUDNGR-UHFFFAOYSA-N 228.215 -0.057 50 20 BBGD COCCN(C)NC(=O)[C@@H]1CCN(C)[C@@H]1C 843882123 JPVRWVAMYLTQHL-NXEZZACHSA-N 229.324 -0.064 50 20 BBGD O=C(NN=C1CCS(=O)(=O)C1)c1cc[nH]n1 853392099 DTLWEKXGJMLNCJ-UHFFFAOYSA-N 242.260 -0.686 50 20 BBGD COCCCCC(=O)NNC(=O)c1cn[nH]c1 862473874 BUGNNDFZJTYXBB-UHFFFAOYSA-N 240.263 -0.013 50 20 BBGD O=C(NNC(=O)c1cccnn1)C1=COCCC1 882057838 BSBSSORNLRTZGL-UHFFFAOYSA-N 248.242 -0.068 50 20 BBGD CN(NC(=O)c1cccn2nnnc12)C1CC1 898012048 PRBBSHJWUNAKKY-UHFFFAOYSA-N 232.247 -0.137 50 20 BBGD CC(=NNC(=O)C(N)=O)c1ccccc1O 916272303 LKCFLCAVOKVENW-UHFFFAOYSA-N 221.216 -0.282 50 20 BBGD CN1CC[C@H]1CNC(=O)NNc1cccnn1 925407446 SLFSHQNYFZHACX-QMMMGPOBSA-N 236.279 -0.193 50 20 BBGD COc1cncc(C(=O)NN(C)C(N)=O)n1 1116771344 MZAQNAMMHZNGKX-UHFFFAOYSA-N 225.208 -0.860 50 20 BBGD CNC(=O)NNC(=O)[C@@H]1CC12CCOCC2 1319075667 CTVOCIXIWHBCRL-ZETCQYMHSA-N 227.264 -0.237 50 20 BBGD CCC[C@@H](C)NC(=O)NNC(=O)C(=O)OC 1322254357 RUHCLFLBOCEBLV-ZCFIWIBFSA-N 231.252 -0.322 50 20 BBGD Cc1c[nH]nc1C=NNC(=O)C(=O)NC1CC1 1324925015 LUEXHAVWGPMDMD-UHFFFAOYSA-N 235.247 -0.553 50 20 BBGD O=C1CCC(=NNC(=O)c2cccnn2)CCN1 1331344941 IAUJZYLINRCAEB-UHFFFAOYSA-N 247.258 -0.138 50 20 BBGD COC(=O)[C@@H]1C[C@@H]1C(=O)NNc1ccn(C)n1 1332814035 OZIZYZFUTUYYJQ-NKWVEPMBSA-N 238.247 -0.328 50 20 BBGD C=C[C@H](NNC(=O)[C@@H]1CC[C@H](C)O1)C(=O)O 1588701311 PRRUDXCQQUUXLE-FXQIFTODSA-N 228.248 -0.186 50 20 BBGD O=C(NC[C@@H]1C=CCC1)NNC(=O)C(=O)O 1601477106 FDKIGCWAHXHZFE-ZCFIWIBFSA-N 227.220 -0.632 50 20 BBGD CC(C)(O)C(=O)NNC(=O)[C@@H](C(=O)O)C1CC1 1602953644 FBDPHVDOVAYMSV-LURJTMIESA-N 244.247 -0.985 50 20 BBGD O=C(CCl)N1CCc2nn[nH]c2C1 306724756 JDFGXTIHBOHRQD-UHFFFAOYSA-N 200.629 -0.072 50 20 BBGD CN(C)CCCCNCc1ccc(B(O)O)o1 585019466 NGBPUJJHBHJBJN-UHFFFAOYSA-N 240.112 -0.609 50 20 BBGD CC(C)(C)n1cc(C(=O)NCB(O)O)cn1 585061879 KUHHWBNQVMGZAW-UHFFFAOYSA-N 225.057 -0.620 50 20 BBGD CC[C@H](C)OCC(=O)N1CC[C@H](B(O)O)C1 585065090 UQVUQHUVPJOPTR-IUCAKERBSA-N 229.085 -0.123 50 20 BBGD O=C(NNC(=O)[C@@H]1C[C@@H]1C(=O)O)c1cccnc1 739454489 RSCHHLKXCIDUIR-SFYZADRCSA-N 249.226 -0.437 50 20 BBGD O=C(O)[C@@H]1C[C@H]1C(=O)NNc1cccnn1 739547915 NRYDUMLVKCPKCC-PHDIDXHHSA-N 222.204 -0.360 50 20 BBGD C#CC(=O)NNc1ccc(C(=O)OC)cn1 759734522 JCQKFVFTAKIICS-UHFFFAOYSA-N 219.200 -0.056 50 20 BBGD O=C(NNC(=O)[C@@]1(O)CCSC1)C1CC1 765520769 NFLPDIXLCMMDGC-SECBINFHSA-N 230.289 -0.588 50 20 BBGD CC[C@H](CO)C(=O)NNC(=O)NCC1CC1 779748267 AWDUFFWICNZTQZ-MRVPVSSYSA-N 229.280 -0.255 50 20 BBGD CC(C)(O)C(=O)NNC(=O)C1[C@H]2CCC[C@H]12 787947078 IYQGDFQUYMTOCG-BQBZGAKWSA-N 226.276 -0.049 50 20 BBGD CCN(CC(=O)NNC(=O)C1CC1)[C@H](C)CO 794709999 GISZZVWSNZMJBY-MRVPVSSYSA-N 243.307 -0.754 50 20 BBGD CCOCCO[C@H](C)C(=O)NNc1nc[nH]n1 816633953 SFHRLPPOLCYAKI-SSDOTTSWSA-N 243.267 -0.311 50 20 BBGD CCN(CCO)NC(=O)c1n[nH]cc1C 823884590 AUTHJDVBIBKBCO-UHFFFAOYSA-N 212.253 -0.323 50 20 BBGD CC1=NO[C@H](C(=O)NN(C)[C@H](C)CO)C1 823918223 STGWIHUIUALGSP-SFYZADRCSA-N 215.253 -0.505 50 20 BBGD Cn1cccc1C(=O)NNC(=O)Cn1cncn1 849193884 WFYDUWQRQLILFS-UHFFFAOYSA-N 248.246 -0.922 50 20 BBGD C=CCNC(=S)NNC(=O)[C@H](COC)OC 854185550 BGSCOGOVMHLPFZ-ZETCQYMHSA-N 247.320 -0.671 50 20 BBGD CN(NC(=O)c1nn(C)cc1Cl)C(N)=O 860516509 CLYLVNCLVRUEAU-UHFFFAOYSA-N 231.643 -0.271 50 20 BBGD CNC(=S)N(C)NC(=O)Cn1nccc1C 861960896 PRYBJCRBPGXOIF-UHFFFAOYSA-N 241.320 -0.341 50 20 BBGD C[C@@H](CC(=O)NNC(=O)CO)c1ccco1 863903519 JPRGUZMORZKYPK-ZETCQYMHSA-N 226.232 -0.087 50 20 BBGD CN1CC[C@H]1CNCc1ccccc1B(O)O 896594344 AJPISRZPERQGBA-NSHDSACASA-N 234.108 -0.840 50 20 BBGD NC(=O)C(=O)NN=Cc1ccc(F)c(F)c1 916272354 OHTNGALBQBNENC-UHFFFAOYSA-N 227.170 -0.100 50 20 BBGD NNC(=O)CNC(=O)c1ccc(F)c(F)c1 918681737 QBUBXAMKQYJYMO-UHFFFAOYSA-N 229.186 -0.316 50 20 BBGD CCO/C=C(/C#N)C(=O)NCCN(C)CCO 924999183 IFCACBWUJALQJQ-KTKRTIGZSA-N 241.291 -0.529 50 20 BBGD CN1CC[C@H]1CNC(=O)NNC(=O)C1CCC1 925410898 KMNHNJSFAXLZRQ-VIFPVBQESA-N 240.307 -0.179 50 20 BBGD CCc1ocnc1C(=O)N1CC[C@@H](B(O)O)C1 1118975991 SUFDSRAXNAYELR-SSDOTTSWSA-N 238.052 -0.074 50 20 BBGD CN(NC(=O)c1cccc(C#N)n1)C(N)=O 1323961914 NERXMRYBOYVQLI-UHFFFAOYSA-N 219.204 -0.391 50 20 BBGD Cn1cnc(C=NNC(=O)[C@H]2CCC(=O)N2)c1 1351650874 LQTOKOLZVLKOHT-MRVPVSSYSA-N 235.247 -0.851 50 20 BBGD CCOCC(=O)N1CC[C@H](B(O)O)C1 1351730309 WDDJTIXXEXZPNN-ZETCQYMHSA-N 201.031 -0.902 50 20 BBGD CC[C@H](C)[C@H](NNC(=O)C(=O)OC)C(=O)OC 1353980023 BSNQQRZRDJCLPM-BQBZGAKWSA-N 246.263 -0.632 50 20 BBGD CC(C)C(=O)NNC(=O)[C@H]1CCCCN1 1574067866 JWEOPTNMVYCADW-MRVPVSSYSA-N 213.281 -0.068 50 20 BBGD O=C(C[C@]1(O)CCCNC1)NNC(=O)C1CC1 1580497790 JSCZALNVUICRFP-LLVKDONJSA-N 241.291 -0.952 50 20 BBGD O=C(O)CNC(=O)NN=Cc1cc[nH]n1 1602072193 WJKYUKMXGVXIRQ-UHFFFAOYSA-N 211.181 -0.873 50 20 BBGD CC1(C)C[C@@]1(C)CNC(=O)NNC(=O)C(=O)O 1604519785 BFAFQNPVISMJRY-JTQLQIEISA-N 243.263 -0.162 50 20 BBGD CN(CC#N)CC(=O)NNC(=O)c1ccccc1 68972906 KBOPEYCMPNQCGQ-UHFFFAOYSA-N 246.270 -0.097 50 20 BBGD O=C(NNC(=O)c1cc[nH]n1)c1ccncc1 192456305 DICWOVMCFLKPIR-UHFFFAOYSA-N 231.215 -0.121 50 20 BBGD CN(C)C[C@](C)(O)CNS(=O)(=O)CCl 228034288 KDINAIXXYGOKDN-SSDOTTSWSA-N 244.744 -0.585 50 20 BBGD COC(=O)CCCC(=O)NN(C)C(N)=O 274105322 PTAWOGSLAATXSL-UHFFFAOYSA-N 217.225 -0.629 50 20 BBGD CN(C)C(=O)NNC(=O)Cn1cc(Cl)cn1 291429069 DYJVKWRCIJLZQT-UHFFFAOYSA-N 245.670 -0.161 50 20 BBGD COCCN(C)NC(=O)Cn1cccn1 294571309 YBCMEZWIIRVNPK-UHFFFAOYSA-N 212.253 -0.508 50 20 BBGD N#CCCCCNC(=O)c1ccc(B(O)O)cc1 584941436 CCPQWIXRLWHGCR-UHFFFAOYSA-N 246.075 -0.210 50 20 BBGD O=C(c1ccc(B(O)O)cc1)N1CC2(CC2)C1 584995446 TYKCJTPTMWOPRW-UHFFFAOYSA-N 231.060 -0.398 50 20 BBGD CN1CCC[C@@H]1CNCc1ccc(B(O)O)o1 585019263 HUGGCZZBLYDFDO-SECBINFHSA-N 238.096 -0.857 50 20 BBGD CCOCCNCc1ccc(B(O)O)cc1 585033048 WAMMHIWUDCERDD-UHFFFAOYSA-N 223.081 -0.508 50 20 BBGD C[C@@H](NCc1cccc(B(O)O)c1)C1(CO)CC1 585046901 CXKCYLDWGIIZCG-SNVBAGLBSA-N 249.119 -0.383 50 20 BBGD COCC(=O)NN=Cc1ccc(C(N)=O)cc1 761818148 SAUOXPUCWGQOTF-UHFFFAOYSA-N 235.243 -0.118 50 20 BBGD C=CCNC(=O)CNC(=O)NNC(=O)C(C)C 776960316 MVMGVJGHNCGIRT-UHFFFAOYSA-N 242.279 -0.725 50 20 BBGD CNC(=O)NN=C(C)C[C@H]1CCC(=O)N1 811640453 SDJSALNCSYAHEH-SSDOTTSWSA-N 212.253 -0.040 50 20 BBGD O=C(Cc1ncc[nH]1)NNC(=O)c1ccccn1 816808420 NDRILSVPYGULDT-UHFFFAOYSA-N 245.242 -0.192 50 20 BBGD Cn1cc(/C=C(\C#N)C(=O)N[C@H]2C[C@@H](O)C2)cn1 830555563 ZHELGINZPLHIJM-QVVHWWHDSA-N 246.270 -0.033 50 20 BBGD CCOCC(=O)NNC(=O)c1cn[nH]c1 862473900 IBVGEEQADKBFRT-UHFFFAOYSA-N 212.209 -0.793 50 20 BBGD CO[C@@H](C)C(=O)NNC(=O)c1cccnn1 882058720 KCNVLMQKBICCOS-LURJTMIESA-N 224.220 -0.728 50 20 BBGD C[C@H](O)CN(C)NC(=O)[C@@]1(O)CCSC1 910155203 KWCXMSKUGIGVHP-IONNQARKSA-N 234.321 -0.802 50 20 BBGD O=C(NCC1CC1)C(=O)NNC(=O)C1CC1 1116751931 ZTAGUUFOEBXDDV-UHFFFAOYSA-N 225.248 -0.930 50 20 BBGD CCn1cc(CC(=O)NNC(C)=O)cn1 1320622693 NIRTYFSBDJNSBG-UHFFFAOYSA-N 210.237 -0.387 50 20 BBGD O=C(NN=CC1CCOCC1)C(=O)NC1CC1 1335767490 DAQDBAIWOLZPEL-UHFFFAOYSA-N 239.275 -0.206 50 20 BBGD C[C@H](CNC(=O)CCl)N1CCN(C)CC1 1336910701 YWNARNFQLFGLBV-SECBINFHSA-N 233.743 -0.023 50 20 BBGD Cn1nncc1NNC(=O)[C@@H]1CC[C@@H]1C(=O)O 1594598506 RZPUOCYHDZNGRE-RITPCOANSA-N 239.235 -0.631 50 20 BBGD COc1cccc(C(=O)NNC(N)=O)c1O 70190884 HRDCTFOSDCEPHP-UHFFFAOYSA-N 225.204 -0.286 50 20 BBGD O=C(CO)NNC(=O)Cc1cccc(F)c1F 182749350 CDNZVWQRBSIJBV-UHFFFAOYSA-N 244.197 -0.353 50 20 BBGD COC(=O)N(C)CC(=O)NNC(=O)CC1CC1 294312088 XRCWWWUWXCHUQW-UHFFFAOYSA-N 243.263 -0.368 50 20 BBGD CCO/C=C(\C#N)C(=O)NCCn1cncn1 490908753 LIUJXXHEWNPSOR-RMKNXTFCSA-N 235.247 -0.162 50 20 BBGD CSCCNCc1ccc(B(O)O)cc1F 585045995 PDEWLCVTLNMSRH-UHFFFAOYSA-N 243.112 -0.042 50 20 BBGD O=C(NCB(O)O)c1ccc([N+](=O)[O-])s1 585055809 FIGYXEMAQAHUAF-UHFFFAOYSA-N 230.010 -0.602 50 20 BBGD CCCCOCC(=O)N1CC[C@@H](B(O)O)C1 585069513 OUYFGKMRUOBIIF-SECBINFHSA-N 229.085 -0.122 50 20 BBGD C[C@H]1C[C@@H]1C(=O)NNC(=O)Cc1cc[nH]n1 730091554 IILUVAFZTVYWIG-XPUUQOCRSA-N 222.248 -0.244 50 20 BBGD CCc1nnsc1C(=O)NNC(C)=O 743805662 UXHRJKCOGLAPLB-UHFFFAOYSA-N 214.250 -0.119 50 20 BBGD CC(=O)NNC(=O)C(=O)N1CCC[C@H](C)C1 767404050 UWXLJQGNOXBEAS-ZETCQYMHSA-N 227.264 -0.588 50 20 BBGD CN(NC(=O)CCn1cccc1)C(N)=O 778411645 HXTNZEOTYZYGEZ-UHFFFAOYSA-N 210.237 -0.080 50 20 BBGD Cc1nn[nH]c1C(=O)NNC(=O)c1ccccn1 789942851 RFUAELMKGJDWOV-UHFFFAOYSA-N 246.230 -0.417 50 20 BBGD C=CCNC(=S)NNC(=O)CN(C)C(C)=O 798304867 COEMSNNYROMVJS-UHFFFAOYSA-N 244.320 -0.854 50 20 BBGD CN(NC(=O)CN1CCOC1=O)C1CC1 823788821 CAKMIDKKAWWDPD-UHFFFAOYSA-N 213.237 -0.436 50 20 BBGD C[C@@H](CO)N(C)NC(=O)c1ncccc1O 823934787 KESPFSJWBQVWLJ-ZETCQYMHSA-N 225.248 -0.255 50 20 BBGD C[C@@H]1OCC[C@@H]1C(=O)NN=Cc1cn(C)nn1 842563289 YFUYNZQHTDYDBN-CBAPKCEASA-N 237.263 -0.310 50 20 BBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)C#CC1CC1 843967950 TVOXBHWWLJBJNH-WCBMZHEXSA-N 236.271 -0.028 50 20 BBGD C=CCCCC(=O)NNC(=O)[C@@H]1CCC(=O)N1 862457036 ZFUCQIWSDZNTCZ-QMMMGPOBSA-N 239.275 -0.231 50 20 BBGD C[C@H](C(=O)NNC(=O)C1CCC1)N(C)C 874455212 DOURUVGELAFJBX-SSDOTTSWSA-N 213.281 -0.116 50 20 BBGD Cc1nnc(NNC(=O)C2CSC2)nc1O 895557605 OYQNZEBBOQEMMN-UHFFFAOYSA-N 241.276 -0.308 50 20 BBGD CC[C@@H](O)[C@H](C)C(=O)NNC(=O)N(C)C 900428055 RORFYZXWBVISHI-NKWVEPMBSA-N 217.269 -0.304 50 20 BBGD CC(CCO)=NNC(=O)[C@@H]1CCC(=O)N1 1118889590 NNTNDKQQNLMXCR-ZETCQYMHSA-N 213.237 -0.861 50 20 BBGD CC(=O)NNC(=O)c1cnn2c1OCCC2 1330268572 YKCMVXXDWYOAEM-UHFFFAOYSA-N 224.220 -0.554 50 20 BBGD O=C(CC1COC1)NN=c1cc[nH]cc1 1333266695 RDWBSEUSOBHQPV-UHFFFAOYSA-N 207.233 -0.017 50 20 BBGD CC1=NO[C@](C)(C(=O)NN(C)C[C@@H](C)O)C1 1335951942 NEZMICHNYWRIJW-SCZZXKLOSA-N 229.280 -0.115 50 20 BBGD CN(NC(=O)[C@H]1CC(C(=O)O)=NO1)C1CC1 1593766692 WVLITEWJUPCCDZ-SSDOTTSWSA-N 227.220 -0.659 50 20 BBGD CO[C@H](C(=O)O)C(=O)NNC(=O)CCC(C)C 1593908261 GNNZEEOPMJDAKS-QMMMGPOBSA-N 246.263 -0.330 50 20 BBGD CNC(=O)NNC(=O)c1cc(C)c(C(=O)O)o1 1598650831 OETAFKFFQOIGFQ-UHFFFAOYSA-N 241.203 -0.140 50 20 BBGD C[C@H](CO)N(C)NC(=O)C1(C(=O)O)CC1 1603201492 DHJBYCRWKGYKRN-ZCFIWIBFSA-N 216.237 -0.805 50 20 BBGD O=C(O)CNC(=O)NN=Cc1cccnc1 1610782933 HZRYIPGCYVPTGQ-UHFFFAOYSA-N 222.204 -0.201 50 20 BBGD NNC(=O)C(=O)NCCCc1ccccc1 37719754 BMPVYJWTGROHRQ-UHFFFAOYSA-N 221.260 -0.275 50 20 BBGD Cc1n[nH]cc1C(=O)NNC(=O)CN(C)C 117973278 QSPQONZHFLVARN-UHFFFAOYSA-N 225.252 -0.959 50 20 BBGD CN(NC(=O)C[C@H]1CCCCO1)C(N)=O 182642532 POOADNVSVGVION-SSDOTTSWSA-N 215.253 -0.013 50 20 BBGD O=C(NNC(=O)C1CCC1)c1cn[nH]c1 264754442 LOHPOPZOFJLKKT-UHFFFAOYSA-N 208.221 -0.029 50 20 BBGD CCCOCC(=O)Nc1cccc(B(O)O)c1 404984442 SVRPISZPQLNJFM-UHFFFAOYSA-N 237.064 -0.269 50 20 BBGD CCOC(=O)NNC(=O)c1ncc(OC)cn1 495784602 GJFNXDOMFPCVLC-UHFFFAOYSA-N 240.219 -0.124 50 20 BBGD OB(O)c1cccc(CNC2CCC(O)CC2)c1 585014651 YBOQUJFEPHZGGM-UHFFFAOYSA-N 249.119 -0.241 50 20 BBGD OC[C@@H]1CC[C@H](NCc2ccccc2B(O)O)C1 585043975 WJIDKRGYSSHOFE-PWSUYJOCSA-N 249.119 -0.383 50 20 BBGD OB(O)c1ccccc1CNC[C@@H](O)C1CCC1 585044223 BOSQFQYGZABIHL-CYBMUJFWSA-N 249.119 -0.383 50 20 BBGD C[C@](CO)(CCF)NCc1ccc(B(O)O)o1 585050447 ZEIFFEIRSKWFIO-SNVBAGLBSA-N 245.059 -0.840 50 20 BBGD CC(=O)N[C@H](C)C(=O)NNC(=O)C1CCC1 732143888 JEODXCRVSCLDCL-ZCFIWIBFSA-N 227.264 -0.542 50 20 BBGD O=C(CO)NNC(=O)c1ccc2c(c1)CCO2 777781349 QCQWKVFHOJCVLN-UHFFFAOYSA-N 236.227 -0.625 50 20 BBGD C[C@H]1COC(=O)C1=NNC(=O)CN(C)C 794903094 YYAYUXCOQKXFKO-LURJTMIESA-N 213.237 -0.787 50 20 BBGD CNC(=O)C1(C(=O)NN(C)CCOC)CCC1 848377517 NELWQRAODXXNFT-UHFFFAOYSA-N 243.307 -0.488 50 20 BBGD CCNC(=O)NNC(=O)c1nonc1C 1323404460 JCUIKGCIYJIXRY-UHFFFAOYSA-N 213.197 -0.658 50 20 BBGD N#CCSCC(=O)NNC(=O)c1cn[nH]c1 1329529223 DDTHSFJPYYWPSM-UHFFFAOYSA-N 239.260 -0.573 50 20 BBGD C#CCCCC(=O)NNC(=O)[C@@H]1CCNC1=O 1334789910 GYTWBOZHJZQRQA-MRVPVSSYSA-N 237.259 -0.927 50 20 BBGD COCC[C@H](N)C(=O)NNc1ncncc1F 1578998386 VJOHSURRQHLKKJ-ZETCQYMHSA-N 243.242 -0.577 50 20 BBGD CC(C)C(=O)NNC(=O)CS[C@H](C)C(=O)O 1590939209 QCPDPUMWFPLWHD-ZCFIWIBFSA-N 248.304 -0.004 50 20 BBGD CCN(CCO)NC(=O)[C@H](C)CC(=O)O 1596340607 IBMQOQVSNDWGAI-SSDOTTSWSA-N 218.253 -0.557 50 20 BBGD CC1(C)COCC1=NNC(=O)NCC(=O)O 1604553485 SUSBMORSWYGCPL-UHFFFAOYSA-N 229.236 -0.217 50 20 BBGD CNC(=O)NNC(=S)NCCCN(C)C 63792208 FSUURCQYGPIETA-UHFFFAOYSA-N 233.341 -0.754 50 20 BBGD CN1CCO[C@@H](C(=O)NNc2ccncc2)C1 180475189 IJXABOIXRBWOKB-SNVBAGLBSA-N 236.275 -0.145 50 20 BBGD O=C(NNc1ccncc1)[C@@H]1COCCO1 180480197 JBZVJSDZEVPBGB-VIFPVBQESA-N 223.232 -0.060 50 20 BBGD O=C(NNC(=O)N1CCOCC1)C1CCC1 194903914 BCPWUFGIXKSQAZ-UHFFFAOYSA-N 227.264 -0.141 50 20 BBGD CO[C@@H]1CN(S(=O)(=O)CCl)C[C@H]1O 306678142 AECIZYYVOQUXEI-PHDIDXHHSA-N 229.685 -0.796 50 20 BBGD O=C(CO)NN=Cc1ccc(C(=O)O)[nH]1 308846304 MILLKVROXLJVAW-UHFFFAOYSA-N 211.177 -0.845 50 20 BBGD COC(=O)NNS(=O)(=O)N1CC[C@H](C)C1 494436336 XLHVVJHOCDFFIW-LURJTMIESA-N 237.281 -0.566 50 20 BBGD C=CCOCCNC(=O)c1cccc(B(O)O)c1 585005423 HBILUHQFELSUJN-UHFFFAOYSA-N 249.075 -0.701 50 20 BBGD C[C@](O)(CNCc1ccc(B(O)O)cc1)C1CC1 585024388 VSMVWRDHHKTGMI-ZDUSSCGKSA-N 249.119 -0.383 50 20 BBGD N#CC1(CNCc2ccc(B(O)O)o2)CC1 585039979 XXOIRESVTKWFKF-UHFFFAOYSA-N 220.037 -0.647 50 20 BBGD Cc1oc(C)c(C(=O)NCB(O)O)c1C 585053810 CZHGZJSNPLPWPO-UHFFFAOYSA-N 211.026 -0.053 50 20 BBGD CNC(=O)NNC(=O)C#Cc1ccccc1 747366624 YVDCLVJKLMHSAG-UHFFFAOYSA-N 217.228 -0.002 50 20 BBGD C[C@@H](C(=O)NNC(=O)C1CCC1)N(C)C 750611155 DOURUVGELAFJBX-ZETCQYMHSA-N 213.281 -0.116 50 20 BBGD COC(=O)N(C)NC(=O)C1(O)CCSCC1 804125001 VPNZUHHWKPJIOF-UHFFFAOYSA-N 248.304 -0.026 50 20 BBGD C[C@H]1OCC[C@H]1C(=O)NNc1nc[nH]n1 816633833 OIHQQVGJWZNQQJ-PHDIDXHHSA-N 211.225 -0.327 50 20 BBGD CO[C@H](C)CNC(=O)NNC(=O)c1ccc[nH]1 821722049 FXZVOKVJDXUHOV-SSDOTTSWSA-N 240.263 -0.006 50 20 BBGD C[C@@H](CO)N(C)NC(=O)CC1OCCCO1 823934190 DGDSXCYTGCNBDA-QMMMGPOBSA-N 232.280 -0.517 50 20 BBGD CCC(=O)NNC(=O)[C@@H](C)N1CCN[C@@H](C)C1 843350109 KIEGJEURORTNSP-DTWKUNHWSA-N 242.323 -0.774 50 20 BBGD CNC(=O)NNC(=O)C12CC(C(=O)OC)(C1)C2 843774389 LTTLEHAFSCRQRN-UHFFFAOYSA-N 241.247 -0.710 50 20 BBGD COCCN(C)NC(=O)[C@H](C)[C@H]1CCC(=O)N1 861656985 HWRGYPVHGCENTD-RKDXNWHRSA-N 243.307 -0.490 50 20 BBGD O=C(NNC(=O)[C@H]1CCCNC1=O)NC1CC1 865015359 ZVVDQJTYLIXFKW-ZETCQYMHSA-N 240.263 -0.995 50 20 BBGD CC(=NNC(=O)C(N)=O)c1nccs1 1116043749 RMGPTXVDJXOPIN-UHFFFAOYSA-N 212.234 -0.531 50 20 BBGD O=C(Cn1cncn1)NNC(=O)c1ccc[nH]1 1319227006 MMMODYUSVQPHBI-UHFFFAOYSA-N 234.219 -0.933 50 20 BBGD CNC(=O)NNC(=O)c1cnn(C(C)C)c1N 1322576154 SAADISBHIAULBI-UHFFFAOYSA-N 240.267 -0.380 50 20 BBGD O=C(NCC1CC1)C(=O)NNc1ncccn1 1326201303 NVGATLAABPSYGP-UHFFFAOYSA-N 235.247 -0.554 50 20 BBGD COC1CCC(=NNC(=O)C(N)=O)CC1 1337625474 NFKLILCXFQFJIZ-UHFFFAOYSA-N 213.237 -0.467 50 20 BBGD C[C@@H](O)CN(C)NC(=O)[C@H](C(=O)O)C1CC1 1589151784 BWUMBHSXLVUXKH-HTRCEHHLSA-N 230.264 -0.559 50 20 BBGD CCNC(=O)NNC(=O)CN1CCSC1=O 49165639 BBDDUQKAAFDWQL-UHFFFAOYSA-N 246.292 -0.495 50 20 BBGD CCOCC(=O)NNC(=O)CC1CC1 108906597 DGEOXOKAQSEZGP-UHFFFAOYSA-N 200.238 -0.030 50 20 BBGD COC[C@@H](C)NC(=O)c1ccc(B(O)O)cc1 584968658 CKKQMLCAQUSBOV-MRVPVSSYSA-N 237.064 -0.869 50 20 BBGD CO[C@@H](C(=O)NCB(O)O)C1CCCC1 585062405 IIZWDRJZGXIURO-MRVPVSSYSA-N 215.058 -0.680 50 20 BBGD CCO[C@H](CC)C(=O)N1CC[C@@H](B(O)O)C1 585072145 IZYXQEPVQJYAKS-RKDXNWHRSA-N 229.085 -0.123 50 20 BBGD CC(C)CC(=O)NNC(=O)NCC[S@@](C)=O 735102940 DHTQIKSHWBDVMD-MRXNPFEDSA-N 249.336 -0.259 50 20 BBGD CC(C)NC(=O)NNC(=O)[C@@H]1C[C@@H]1C(=O)O 736476915 XAQDHHRAORAJNR-RITPCOANSA-N 229.236 -0.554 50 20 BBGD CCNC(=O)NNC(=O)CCCC(=O)N(C)C 746166794 HDMPUXHGFCQXSL-UHFFFAOYSA-N 244.295 -0.405 50 20 BBGD CC(C)C(=O)NN=Cc1cn(CC(=O)O)nn1 768481633 DMDHRQNXJUVXCJ-UHFFFAOYSA-N 239.235 -0.531 50 20 BBGD CC(C)(O)C(=O)NN=Cc1cnc2cnccn12 785460171 HXYUUYHPGNUOIQ-UHFFFAOYSA-N 247.258 -0.050 50 20 BBGD CCNC(=O)NNC(=O)[C@@H]1CCCN1C1CC1 787201659 KRURIMJRDQEOON-VIFPVBQESA-N 240.307 -0.037 50 20 BBGD COc1nccnc1NNC(=O)c1cnn(C)n1 807251460 IEBLAVUNYHSEBA-UHFFFAOYSA-N 249.234 -0.629 50 20 BBGD CCOC(=O)C1(C(=O)NN(C)CCOC)CC1 808075564 RSQGXQYTXGHGJP-UHFFFAOYSA-N 244.291 -0.061 50 20 BBGD CNC(=S)N(C)NC(=O)[C@@H](C)N(C)C 823559407 WFLJPCBLCAAWML-ZCFIWIBFSA-N 218.326 -0.596 50 20 BBGD C[C@H](CO)N(C)NC(=O)c1ccc(=O)n(C)c1 823970787 LHXJPXBMBYWXGG-MRVPVSSYSA-N 239.275 -0.657 50 20 BBGD CCONC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 825559299 YNVXUXRFGGASHP-RNFRBKRXSA-N 231.252 -0.307 50 20 BBGD CCC1(C(=O)NNC(=O)c2cc[nH]n2)COC1 855357574 LVQGLQYTSOGDMJ-UHFFFAOYSA-N 238.247 -0.403 50 20 BBGD O=C(CC1CCC1)NNC(=O)[C@@H]1CCC(=O)N1 862455974 KYRXSOWVKMTWDU-QMMMGPOBSA-N 239.275 -0.397 50 20 BBGD CC(=NNC(=O)[C@H]1CCC(=O)N1)[C@@H]1CCOC1 863148676 HWFRWALMMQZWSN-RKDXNWHRSA-N 239.275 -0.206 50 20 BBGD CC1(CCC(=O)NNC(=O)CO)CC1 897607260 ZUZFYBZPKPMLFV-UHFFFAOYSA-N 200.238 -0.294 50 20 BBGD CCN1C[C@@H](C(=O)NN(C)C[C@@H](C)O)CC1=O 910174185 SDPKBRWAHCCQSJ-BDAKNGLRSA-N 243.307 -0.801 50 20 BBGD CCOC(=O)NNC(=O)c1ccc(=O)n(C)n1 1115825362 UDKNVRUSYMYHTA-UHFFFAOYSA-N 240.219 -0.829 50 20 BBGD CN(NC(=O)CSCC(N)=O)C1CC1 1329171204 DKBIELJTIWZWSX-UHFFFAOYSA-N 217.294 -0.670 50 20 BBGD CCN(CCO)NC(=O)C1(C#N)CCOCC1 1329862372 NZGLOCURVSCZGJ-UHFFFAOYSA-N 241.291 -0.348 50 20 BBGD C[C@H](C(=O)NN(C)C1CC1)S(C)(=O)=O 1348978448 KUIJGGIHFMHFQK-ZCFIWIBFSA-N 220.294 -0.455 50 20 BBGD C[C@H](CO)N(C)NC(=O)[C@H]1CCCCN1 1574067257 MXYHZCJSCHHEKC-RKDXNWHRSA-N 215.297 -0.528 50 20 BBGD CCNC(=O)NNC(=O)[C@@H](C(=O)O)C(C)C 1589909602 UGIUFAJNLMHISG-LURJTMIESA-N 231.252 -0.307 50 20 BBGD CCNC(=O)NNC(=O)c1ccc(C(=O)O)[nH]1 1596471110 SWGMRAXTFNEFBI-UHFFFAOYSA-N 240.219 -0.323 50 20 BBGD CC[C@@H](C)NC(=S)NNC(=O)NCC(=O)O 1604967160 NQDZBEZGOVFAGB-RXMQYKEDSA-N 248.308 -0.452 50 20 BBGD COc1cc(B(O)O)c(OC)cc1C=O 1974576976 DTUOLKLERIMYCW-UHFFFAOYSA-N 209.994 -0.804 50 20 BBGD CCOC(=O)/C=C(\N)NNC(=O)c1ccco1 102669666 YJPPGGNTWZVCPN-SOFGYWHQSA-N 239.231 -0.123 50 20 BBGD Cc1cc(B(O)O)ccc1O[C@H]1CCOC1 169921137 AHQYPSCKYUMCSC-JTQLQIEISA-N 222.049 -0.157 50 20 BBGD in-vitro C=CCNC(=S)NNC(=O)C1(O)CCC1 281235849 NFVZROQCUVIULK-UHFFFAOYSA-N 229.305 -0.417 50 20 BBGD O=CN1CCCN(C(=O)CCl)CC1 306202588 YMPNQMMMCAPVLS-UHFFFAOYSA-N 204.657 -0.084 50 20 BBGD O=C(Nc1cccc(B(O)O)c1)C1=CCOCC1 584913970 MYUZJGVKUKTDHT-UHFFFAOYSA-N 247.059 -0.348 50 20 BBGD Cc1ccc(CNCc2ccc(B(O)O)o2)cn1 585017013 HPWWAJUYHMHRJH-UHFFFAOYSA-N 246.075 -0.047 50 20 BBGD C[C@H]1CN(C)C[C@H]1NCc1cccc(B(O)O)c1 585029565 AWQNBMVYSHWVLW-GXFFZTMASA-N 248.135 -0.594 50 20 BBGD Cc1c(C(=O)NCB(O)O)cccc1[N+](=O)[O-] 585056983 GCNHJFRHBBNIET-UHFFFAOYSA-N 238.008 -0.355 50 20 BBGD O=C(Cc1cc(F)ccc1F)NCB(O)O 585060588 HHEWYTJKLLVXIK-UHFFFAOYSA-N 228.991 -0.365 50 20 BBGD O=C(c1cc(C2CC2)[nH]n1)N1CC[C@@H](B(O)O)C1 585069409 NZMIZHFRXQKMHM-MRVPVSSYSA-N 249.079 -0.024 50 20 BBGD CC[C@@H](C)C(=O)NNS(=O)(=O)N(C)CC 746053473 CEQCABQJAWWMJB-SSDOTTSWSA-N 237.325 -0.150 50 20 BBGD COC(=O)NN=C1CCN(S(C)(=O)=O)CC1 747625252 HPTWETUYWYSIJF-UHFFFAOYSA-N 249.292 -0.246 50 20 BBGD C[C@@H](C(=O)NNC(=O)CO)c1ccco1 753444287 INGLXFUXDQXINV-ZCFIWIBFSA-N 212.205 -0.477 50 20 BBGD COC(=O)CNC(=O)NN=Cc1cccn1C 779816066 GWVFWECYIAXVAP-UHFFFAOYSA-N 238.247 -0.169 50 20 BBGD C[C@@H](C(=O)NNC(=O)CC1CC1)n1cncn1 819122747 GIGFSYRQTAYHKB-ZETCQYMHSA-N 237.263 -0.213 50 20 BBGD O=C1CC(C(=O)NNC(=O)c2cc[nH]n2)C1 855357269 GPZDRRWBBITKSN-UHFFFAOYSA-N 222.204 -0.850 50 20 BBGD COC1CC(C(=O)NNC(=O)N(C)C)C1 858906835 GVJNWIKRXFGHCT-UHFFFAOYSA-N 215.253 -0.286 50 20 BBGD CC/C=C(/C)C(=O)NNC(=O)[C@H]1CCC(=O)N1 862451436 CIAWXRBGQGOTAN-RBMBQVQZSA-N 239.275 -0.231 50 20 BBGD CCO[C@H](C)C(=O)NNC(=O)c1cn[nH]c1 862474925 SZEREROETVKZGG-ZCFIWIBFSA-N 226.236 -0.404 50 20 BBGD COCCN(C)NC(=O)c1ncnn1C 883129035 FLUIADQADDVOOW-UHFFFAOYSA-N 213.241 -0.962 50 20 BBGD C[C@H](O)C(=O)NNC(=S)NC(C)(C)C 899996324 SFGWBFHMZCXVQD-YFKPBYRVSA-N 219.310 -0.339 50 20 BBGD CN(C)C(=O)NNC(=O)[C@@H]1CCCC(=O)N1C 906450803 PQSPGIZQXBYXOF-ZETCQYMHSA-N 242.279 -0.700 50 20 BBGD N#CSCCCNC(=O)CCC(N)=O 908031570 BSMAIYIKDGTBNE-UHFFFAOYSA-N 215.278 -0.028 50 20 BBGD C[C@H](CO)N(C)NC(=O)[C@H]1[C@H]2C(=O)CC[C@H]21 911445449 VLOZVRKVTWKNPZ-KHUVANEUSA-N 226.276 -0.445 50 20 BBGD CC(=O)NCC(=O)NNc1cccnn1 1320057368 LFDJSQBJARKPHX-UHFFFAOYSA-N 209.209 -0.944 50 20 BBGD CCNC(=O)NNC(=O)C1(OC)CCOCC1 1321964127 UGDQQKTWELWDLO-UHFFFAOYSA-N 245.279 -0.468 50 20 BBGD CC(C)(O)C(=O)NNC(=O)[C@]1(C)CCOC1 1326461076 RCAIKJZWWKLTLC-SNVBAGLBSA-N 230.264 -0.669 50 20 BBGD COCC#CC(=O)NNC(=O)Cc1cccnc1 1328758663 IHURYVFYIZGOAM-UHFFFAOYSA-N 247.254 -0.579 50 20 BBGD COC(=O)C(=O)NNC(=O)N[C@H]1CC[C@H](C)C1 1331244847 NSEOLRPSGUCFEN-BQBZGAKWSA-N 243.263 -0.322 50 20 BBGD CC(C)(C)C(=O)NCC(=O)OCCC(=O)NN 1575099252 XKEGOAFFMVKGSI-UHFFFAOYSA-N 245.279 -0.928 50 20 BBGD NCC1(C(=O)NNC(=O)C2CCOCC2)CC1 1580235791 AYPOVJBKWJIUAE-UHFFFAOYSA-N 241.291 -0.701 50 20 BBGD CC(=O)NNC(=O)c1cnccc1-c1nn[nH]n1 1588870092 YOUNKVQCECUDPL-UHFFFAOYSA-N 247.218 -0.957 50 20 BBGD CN(NC(=O)[C@H]1CC[C@H]1C(=O)O)C(N)=O 1593766314 LPJJJDALAKSIQQ-CRCLSJGQSA-N 215.209 -0.861 50 20 BBGD CC(=O)Nc1nc(C(=O)NN)cs1 37400281 CGSBUQZETGTZQR-UHFFFAOYSA-N 200.223 -0.295 50 20 BBGD Cc1nscc1C(=O)NNC(=O)CN(C)C 183161874 AFHVVCMGRHTNNW-UHFFFAOYSA-N 242.304 -0.226 50 20 BBGD CN(C)C/C=C/C(=O)NNC(=O)c1ccncc1 265628832 MFQZLFTZJQDJMT-ONEGZZNKSA-N 248.286 -0.040 50 20 BBGD O=C(NNc1ccc(F)cc1)[C@H]1C[C@H](O)CN1 269226473 MNMHBHUSAOAOPN-VHSXEESVSA-N 239.250 -0.008 50 20 BBGD CN(C)C(=O)NNC(=O)CCOCC(F)F 276566422 DMZCUQDXHBSOSL-UHFFFAOYSA-N 239.222 -0.039 50 20 BBGD O=C(NC[C@@H]1CC12CC2)c1ccc(B(O)O)cc1 585000062 IXCYKCWWCYAFLL-JTQLQIEISA-N 245.087 -0.104 50 20 BBGD OB(O)c1ccccc1CNCC1[C@@H]2COC[C@@H]12 585040074 FHUPSVOOFKSXMM-RYUDHWBXSA-N 247.103 -0.652 50 20 BBGD O=C([C@@H]1CCCCO1)N1CC[C@H](B(O)O)C1 585064363 FLEYOCFSUCIHCV-IUCAKERBSA-N 227.069 -0.369 50 20 BBGD CC(C)(C)c1[nH]cnc1C(=O)NCB(O)O 585068288 ZPCSHRNCEILPHS-UHFFFAOYSA-N 225.057 -0.551 50 20 BBGD O=C(NNS(=O)(=O)C1CC1)C1CCC1 732047959 MUYPWIWFSPIZLN-UHFFFAOYSA-N 218.278 -0.101 50 20 BBGD COC(=O)NNC(=O)Nc1cccn(C)c1=O 743182018 YONWFZBMHJRXIV-UHFFFAOYSA-N 240.219 -0.222 50 20 BBGD O=C(CO)NNC(=O)Cc1ccc(O)cc1 753445472 JTSKBWUDEISKLC-UHFFFAOYSA-N 224.216 -0.926 50 20 BBGD CCO/C=C(\C#N)C(=O)N1C[C@H](O)C[C@H]1CO 775397620 YQRFMLCERWREGR-ACMYFRETSA-N 240.259 -0.616 50 20 BBGD O=C(CO)NN=C1C(=O)Nc2ccc(F)cc21 776780772 NASXMROTLNVTAN-UHFFFAOYSA-N 237.190 -0.410 50 20 BBGD CCOCCC=NNC(=O)NCC(=O)OC 788439823 YDSOLJHQXFTMCQ-UHFFFAOYSA-N 231.252 -0.129 50 20 BBGD NC(=O)NN=Cc1ccccc1C(N)=O 788699327 UJARPADODVSSIM-UHFFFAOYSA-N 206.205 -0.212 50 20 BBGD CCN(CCO)NC(=O)[C@H]1C[C@@H](O)C1 823897483 DKKOUMHLLIAFTF-OCAPTIKFSA-N 202.254 -0.897 50 20 BBGD C[C@H](CO)N(C)NC(=O)[C@@](C)(O)C1CC1 823922731 MNLCHCNBCYCHPM-XCBNKYQSSA-N 216.281 -0.509 50 20 BBGD O=C1NCC[C@H]1C(=O)NNc1ccccn1 831750250 WMFXJJOWBOXIHB-SSDOTTSWSA-N 220.232 -0.339 50 20 BBGD O=C(NNC(=O)[C@H]1CNCCO1)c1ccccc1 844204466 OOMQANNISGNVEW-SNVBAGLBSA-N 249.270 -0.564 50 20 BBGD CNC[C@@H](C)NS(=O)(=O)CBr 850594588 SFKZUZLFTLCCOP-RXMQYKEDSA-N 245.142 -0.134 50 20 BBGD CC(C)(C)[C@@H](O)C(=O)NNC(=O)c1cn[nH]c1 862472713 RQNGWYFPFZPJLA-ZETCQYMHSA-N 240.263 -0.422 50 20 BBGD CO[C@@H](C=NNC(=O)CS(C)(=O)=O)C1CC1 863184553 YVXFVLBACVOLFA-QMMMGPOBSA-N 248.304 -0.442 50 20 BBGD Cn1cnc(CNCc2ccccc2B(O)O)c1 898042021 GMHSARBGRSHSFU-UHFFFAOYSA-N 245.091 -0.610 50 20 BBGD Cc1nc[nH]c1CC(=O)NN(C)C[C@H](C)O 910153377 SMZORJXMFQVJRZ-ZETCQYMHSA-N 226.280 -0.396 50 20 BBGD Cc1ncc(C(=O)NN(C)[C@@H](C)CO)n1C 911443907 BGVJDYLVOVXFSH-ZETCQYMHSA-N 226.280 -0.314 50 20 BBGD NC(=O)C(=O)NN=C1CCOc2ccccc21 916588421 WCORUOYVXVKIGC-UHFFFAOYSA-N 233.227 -0.225 50 20 BBGD CN(NC(=O)Cc1cccnc1)C(N)=O 1116490683 OZZHREOEPBXLFN-UHFFFAOYSA-N 208.221 -0.334 50 20 BBGD COc1cc(C(=O)NNc2nc[nH]n2)on1 1117722443 WVAISJLZGGMYBS-UHFFFAOYSA-N 224.180 -0.442 50 20 BBGD C[C@@H](C(=O)NNc1ccncn1)[C@@H]1CCC(=O)N1 1348344184 JOOWZGBSTQMFNX-SFYZADRCSA-N 249.274 -0.166 50 20 BBGD O=C(CCCF)NNC(=O)[C@@H]1CCC(=O)N1 1348388838 RDBXESOHMSKEGJ-LURJTMIESA-N 231.227 -0.838 50 20 BBGD Cc1cc(NNC(=O)CC(=O)O)nc(N)n1 1600282998 JPMXVOCCQGTAAX-UHFFFAOYSA-N 225.208 -0.715 50 20 BBGD C=C(CCC(=O)O)C(=O)NNC(=O)NCC 1602784170 OGZYSNVTZPYFEE-UHFFFAOYSA-N 229.236 -0.242 50 20 BBGD CCOC(=O)NNC(=O)[C@@H](C)C(=O)O 1610330973 NTEGCRIAVGRVGL-SCSAIBSYSA-N 204.182 -0.516 50 20 BBGD Cn1cc(C(=O)NNC(=O)[C@@H]2CCCO2)cn1 32259019 JUXJOJPKFHPZRW-QMMMGPOBSA-N 238.247 -0.640 50 20 BBGD CS[C@H](C)CC(=O)NNC(=O)CN(C)C 124364998 VFWVNCWAWPVNRZ-SSDOTTSWSA-N 233.337 -0.163 50 20 BBGD CCO[C@H]1C[C@H]1C(=O)NNC(=O)N(C)C 194915585 LNYWKVPBBQEDKG-RQJHMYQMSA-N 215.253 -0.286 50 20 BBGD O=C(NNC(=O)C1CC1)c1cnc(S)[nH]1 274927026 ZFGWQPHFZJLVTC-UHFFFAOYSA-N 226.261 -0.131 50 20 BBGD CCO/C=C/C(=O)NNC(=O)Cc1cc[nH]n1 493834149 FOERWIDHRWAPFC-GQCTYLIASA-N 238.247 -0.350 50 20 BBGD CC1(C)[C@@H](NCc2ccc(B(O)O)cc2)C[C@H]1O 585036040 CLKAEICIZYBVHF-NWDGAFQWSA-N 249.119 -0.385 50 20 BBGD COCc1ccc(C=NNC(=O)C(N)=O)cc1 741756077 BTJUDJDACQNTMN-UHFFFAOYSA-N 235.243 -0.232 50 20 BBGD CCC(=O)N[C@@H](C)C(=O)NNC(=O)N(C)C 746001264 FLDWTCOJWJHGRR-LURJTMIESA-N 230.268 -0.797 50 20 BBGD CNC(=O)NNC(=O)[C@H]1CSCCS1 750997788 ZJTOCJYYZAVWTM-RXMQYKEDSA-N 235.334 -0.205 50 20 BBGD COCC(=O)NNC(=O)Nc1cc(C)nn1C 761862578 YYBIYXDEBFGSAZ-UHFFFAOYSA-N 241.251 -0.472 50 20 BBGD C=Cn1cc(C=NNC(=O)C(=O)NC2CC2)cn1 773034367 ZOBMKFJGTDKYPL-UHFFFAOYSA-N 247.258 -0.288 50 20 BBGD O=C(CO)NN=Cc1ccc2c(c1)NC(=O)CO2 788726578 WHJWXEXDLOQNHY-UHFFFAOYSA-N 249.226 -0.540 50 20 BBGD O=C(NNC(=O)[C@H]1CCCCO1)[C@H]1CCOC1 792620821 FIAUEFQFWCPILR-DTWKUNHWSA-N 242.275 -0.261 50 20 BBGD COC(OC)C(=O)NNC(=O)CC(F)(F)F 823829288 QIYKIOUMJQZKFT-UHFFFAOYSA-N 244.169 -0.295 50 20 BBGD CCN(CCO)NC(=O)C1(CC)COC1 823865844 ZJCXJRZIJBUNAE-UHFFFAOYSA-N 216.281 -0.242 50 20 BBGD CCN(CCO)NC(=O)c1cnn2c1CCC2 823889020 FRPMHXLCFPHDON-UHFFFAOYSA-N 238.291 -0.212 50 20 BBGD CCN1C[C@@H](C(=O)NN(C)[C@H](C)CO)CC1=O 823976913 LCVZXLZRSNXOFJ-BDAKNGLRSA-N 243.307 -0.801 50 20 BBGD C[C@H](CO)N(C)NC(=O)Cc1cnc[nH]1 911445243 QCFFDFFTANGMIJ-SSDOTTSWSA-N 212.253 -0.704 50 20 BBGD NNC(=O)c1ccc(=O)n(Cc2ccccc2)n1 916665609 OZPAREKHFCEVBQ-UHFFFAOYSA-N 244.254 -0.105 50 20 BBGD Cc1ncncc1C(=O)NN(C)C[C@H](C)O 1119581417 GKEDZFYAAARBSB-ZETCQYMHSA-N 224.264 -0.258 50 20 BBGD CCOC(=O)N1CSC[C@H]1C(=O)NN 1121930320 CSUAQHJCUWYBHW-YFKPBYRVSA-N 219.266 -0.492 50 20 BBGD NC(=O)C(=O)NN=Cc1cnc2ccccn12 1319491121 RHXLPGWTYWSDTR-UHFFFAOYSA-N 231.215 -0.730 50 20 BBGD CN(C)C(=O)NNC(=O)c1cc(C=O)c[nH]1 1324940406 PIYXQQCRJWAFTJ-UHFFFAOYSA-N 224.220 -0.257 50 20 BBGD C=C[C@H](COC)NCc1cccc(B(O)O)c1 1329267656 LUHOGMUUBMCFRE-GFCCVEGCSA-N 235.092 -0.343 50 20 BBGD Cn1ccc(CC(=O)NNc2nc[nH]n2)n1 1332492708 FZWLFOYEKWJHFK-UHFFFAOYSA-N 221.224 -0.776 50 20 BBGD Cc1cc(CC(=O)NNC(=O)[C@H]2C[C@H]2F)n[nH]1 1347704438 LHQIIGMQPAMARE-JGVFFNPUSA-N 240.238 -0.234 50 20 BBGD Cn1ccc(CC(=O)NNc2ccncn2)n1 1348015531 WFSUGAZCRAQOTI-UHFFFAOYSA-N 232.247 -0.104 50 20 BBGD O=C(NNC(=O)[C@@H]1C[C@H]1F)C1CCOCC1 1349774885 FEIRSGHDPSPMMM-HTQZYQBOSA-N 230.239 -0.082 50 20 BBGD C[C@H](NC(=S)NNC(=O)CC(=O)O)C1CC1 1593189666 IROJSIDIAIOMLA-YFKPBYRVSA-N 245.304 -0.245 50 20 BBGD CCNC(=O)NNC(=O)CCCC(=O)O 1603769888 FZKLFUYTCHOPLH-UHFFFAOYSA-N 217.225 -0.408 50 20 BBGD CNC(=O)NNC(=O)C[C@H]1CCCO1 48950290 GAXVCIJYIGYLPA-ZCFIWIBFSA-N 201.226 -0.484 50 20 BBGD CC(C)(C)C(=O)NNC(=O)[C@@H]1COCCO1 80088640 AWXPMTMKKSCLFB-ZETCQYMHSA-N 230.264 -0.405 50 20 BBGD O=C(Cn1cccn1)NNC(=O)NC1CC1 299224708 BZEHKPBLFXRKAY-UHFFFAOYSA-N 223.236 -0.624 50 20 BBGD CSCCCC=NNC(=O)C(N)=O 382313445 QXBUXPVIKLTLBL-UHFFFAOYSA-N 203.267 -0.283 50 20 BBGD N#CC1(C(=O)Nc2cccc(B(O)O)c2)CC1 584910762 DHPZZRNIEXOSNV-UHFFFAOYSA-N 230.032 -0.391 50 20 BBGD C[C@H]1CSC[C@H]1NCc1ccc(B(O)O)o1 585040295 IELMNVRLAFJXSU-IONNQARKSA-N 241.121 -0.200 50 20 BBGD CCC(=O)NNS(=O)(=O)c1c[nH]nc1C 732046025 PYIPNZRLEUTYPR-UHFFFAOYSA-N 232.265 -0.562 50 20 BBGD O=C(O)CSCCC(=O)NNC(=O)C1CC1 739847270 YJGRUXFSUMRRSF-UHFFFAOYSA-N 246.288 -0.248 50 20 BBGD CC(C)CC(=O)NNS(=O)(=O)N(C)C 742025784 KEFQLLZGGVPWOM-UHFFFAOYSA-N 223.298 -0.540 50 20 BBGD CC(C)n1cc(C(=O)NNC(=O)CO)cn1 788004328 OGAZIYRCXLJGKX-UHFFFAOYSA-N 226.236 -0.783 50 20 BBGD CC(=O)NNC(=O)c1nnc2ccccc2n1 798272170 FHGHQGLTJNMDSJ-UHFFFAOYSA-N 231.215 -0.194 50 20 BBGD COCCN(C)NC(=O)[C@@H]1CCOC1 808073023 CIENUAVAYYQXDX-MRVPVSSYSA-N 202.254 -0.368 50 20 BBGD CCN(CCO)NC(=O)[C@](C)(O)C1CCC1 823889192 LMJZRPOXXAUVDC-LLVKDONJSA-N 230.308 -0.117 50 20 BBGD CN(C)CC(=O)NN=Cc1ccc(C(=O)O)[nH]1 830596477 OQIVFWZJNQBZJE-UHFFFAOYSA-N 238.247 -0.275 50 20 BBGD Cn1ncnc1C=NNC(=O)[C@@H]1CCCCO1 842536674 WQHHVJMQJLZMLG-QMMMGPOBSA-N 237.263 -0.166 50 20 BBGD C[C@H](C(=O)O)C(=O)NNc1ncccn1 842547615 QYHLALVTVQAPIL-YFKPBYRVSA-N 210.193 -0.360 50 20 BBGD CN(C)S(=O)(=O)c1ccsc1C(=O)NN 843450533 KBNLKYHZGGHRJD-UHFFFAOYSA-N 249.317 -0.398 50 20 BBGD O=C(NCC(F)F)NNC(=O)C1CC1 849332817 IWXPXTYSUYBFEH-UHFFFAOYSA-N 207.180 -0.008 50 20 BBGD O=C(CN1CC[C@H]2C[C@H]2C1)NNC(=O)C1CC1 852636580 XYOOAVUQPMLFMI-UWVGGRQHSA-N 237.303 -0.114 50 20 BBGD CCNC(=O)N(C)NC(=O)[C@H]1CCCNC1=O 867279019 PGGURSQPIXTOJE-ZETCQYMHSA-N 242.279 -0.795 50 20 BBGD COC(=O)CCCC(=O)NN(C)C[C@H](C)O 910152680 SRLIQNRRBCPKBV-QMMMGPOBSA-N 232.280 -0.327 50 20 BBGD Cc1c(C(=O)NN(C)C[C@H](C)O)cnn1C 910175805 UXVPJRQLSKYJGG-ZETCQYMHSA-N 226.280 -0.314 50 20 BBGD COC(=O)C(=O)NNC(=O)NCC(C)(C)C#N 1116526104 RBZJZHZSGMSHFM-UHFFFAOYSA-N 242.235 -0.960 50 20 BBGD C=CCCCCNC(=O)NNC(=O)C(=O)OC 1324083814 SRYDXSBFAJMIPU-UHFFFAOYSA-N 243.263 -0.154 50 20 BBGD CNC(=O)C(=O)NNc1ccc(C#N)cc1 1325661894 GTVZISXBYINRHG-UHFFFAOYSA-N 218.216 -0.253 50 20 BBGD CNC(=O)NNC(=O)C1(F)CCOCC1 1329699368 AIEIEUIOOQFQBQ-UHFFFAOYSA-N 219.216 -0.535 50 20 BBGD COC(=O)NNC(=O)[C@@H]1CCc2nncn2C1 1330517483 OKOQJRFOLDZDJM-ZCFIWIBFSA-N 239.235 -0.772 50 20 BBGD C[C@@H]1C[C@H](C(=O)NN(C)C2CC2)O[C@H]1C(=O)O 1599876132 QKKBDGQIBDJBEV-FTLITQJKSA-N 242.275 -0.010 50 20 BBGD CNC(=O)NNC(=O)c1ccc2c(c1)OCO2 53918934 YYWCXBIVHIOAKB-UHFFFAOYSA-N 237.215 -0.011 50 20 BBGD COCCNC(=O)NNc1cccnn1 77536662 WFRGHDYZJYGTEK-UHFFFAOYSA-N 211.225 -0.251 50 20 BBGD CC[C@H](C)OCC(=O)NNC(=O)C(C)(C)O 190049582 TTYCXLUJFIMQPA-ZETCQYMHSA-N 232.280 -0.280 50 20 BBGD N#Cc1c[nH]c(C(=O)NNC(=O)[C@@H]2CCCO2)c1 294491717 CHGKTLFAHZPVSM-VIFPVBQESA-N 248.242 -0.174 50 20 BBGD CC[C@](C)(CO)NCc1ccccc1B(O)O 585032910 QJPVJZNJHUUCLE-GFCCVEGCSA-N 237.108 -0.383 50 20 BBGD OB(O)c1ccc(CN[C@@H]2CCCC[C@H]2O)cc1 585036485 LAFVHERTOAIWKV-CHWSQXEVSA-N 249.119 -0.241 50 20 BBGD CC(=O)NNC(=O)[C@@H](C(C)C)N(C)C 730271574 BYTDDFXVPDYEDZ-MRVPVSSYSA-N 201.270 -0.260 50 20 BBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)CCOC 772074441 HAMRSTGTJNMNSG-ZETCQYMHSA-N 246.263 -0.488 50 20 BBGD COCCOCC(C)=NNC(=O)CO 776780543 KVOLSNSGIBLIGL-UHFFFAOYSA-N 204.226 -0.866 50 20 BBGD O=C(CO)NNC(=O)[C@H]1CCCC(F)(F)C1 800695627 VBCPKECMURQWLR-LURJTMIESA-N 236.218 -0.048 50 20 BBGD O=C(CN1CCCC1=O)NN=C[C@@H]1CCOC1 812438396 BUAURAHVADHOHK-VIFPVBQESA-N 239.275 -0.253 50 20 BBGD C#CC(=O)NNc1cccc(-c2nn[nH]n2)c1 823837669 FLYKJBRZFIBQHN-UHFFFAOYSA-N 228.215 -0.057 50 20 BBGD C[C@@H](CO)N(C)NC(=O)CN(C)C(=O)C1CC1 823959408 HZWPORHYPOJZFU-QMMMGPOBSA-N 243.307 -0.801 50 20 BBGD Cc1oc(C(=O)NN)cc1S(=O)(=O)N(C)C 825652440 SKLGANQRVUBLFM-UHFFFAOYSA-N 247.276 -0.558 50 20 BBGD CN(NC(=O)CSc1nncs1)C(N)=O 1116449708 WSFCZDJFZHWIKG-UHFFFAOYSA-N 247.305 -0.328 50 20 BBGD Cc1cnc(C(=O)NNc2cnnn2C)cn1 1117762170 NYNRFNOKXQUJNM-UHFFFAOYSA-N 233.235 -0.330 50 20 BBGD CO[C@H](C)CC(=O)NNc1nccn(C)c1=O 1252519180 TZDHYQFCCYSWSQ-SSDOTTSWSA-N 240.263 -0.352 50 20 BBGD CN(NC(=O)Cc1cncs1)C(N)=O 1255474264 OMCISFZIKBEGDV-UHFFFAOYSA-N 214.250 -0.273 50 20 BBGD CCn1nncc1C(=O)NNC(=O)NC1CC1 1261237643 ZGWKDQLOEWHAJJ-UHFFFAOYSA-N 238.251 -0.596 50 20 BBGD NC(=O)c1cc(C(=O)NN=c2cc[nH]cc2)co1 1320290943 ZSCKXGVQRQOXRY-UHFFFAOYSA-N 246.226 -0.048 50 20 BBGD CC(CCCCO)=NNC(=O)C(=O)NC1CC1 1320416503 DRLPRQFWSCIRBO-UHFFFAOYSA-N 241.291 -0.080 50 20 BBGD Cn1cncc1CC(=O)NNC(=O)C1CC1 1321436481 KFTJBBOEUPWFCQ-UHFFFAOYSA-N 222.248 -0.480 50 20 BBGD C[C@@H](CN)C(=O)NNc1nncc(N)c1Cl 1327119886 CBQAOJZLLTUEOJ-BYPYZUCNSA-N 244.686 -0.250 50 20 BBGD NC(=O)c1cc(C(=O)NN=c2cc[nH]cc2)c[nH]1 1342030687 ZFEQCNPJLAQOLS-UHFFFAOYSA-N 245.242 -0.313 50 20 BBGD NC1CC(CC(=O)NNC(=O)c2ccncc2)C1 1580159802 FAWVWXWRXQITAS-UHFFFAOYSA-N 248.286 -0.030 50 20 BBGD NC[C@@H](O)CC(=O)NNc1ncccc1F 1580231691 CKJUJHBSUICHKS-LURJTMIESA-N 228.227 -0.627 50 20 BBGD COCCN(CC(=O)N(C)C)C(=O)CCl 37654190 VZWJNOOHCNEAGR-UHFFFAOYSA-N 236.699 -0.212 50 20 BBGD COC(=O)N(C)NC(=O)[C@@H]1CCCN1C(C)=O 286240078 GLBKQLBGRCEXQA-QMMMGPOBSA-N 243.263 -0.273 50 20 BBGD COC(=O)N(C)NC(=O)C1=COCCO1 286476143 UYBWPVLBAVWHGI-UHFFFAOYSA-N 216.193 -0.396 50 20 BBGD COC(=O)NN=C(C)CS(C)(=O)=O 379420192 ZWSQZCQMHYLGNG-UHFFFAOYSA-N 208.239 -0.237 50 20 BBGD C[C@@H]1C[C@@H](C(=O)Nc2cccc(B(O)O)c2)CO1 405067780 XBRVDDMBKCPWGU-RKDXNWHRSA-N 249.075 -0.270 50 20 BBGD COC(=O)NC(C)(C)C(=O)NNC(=O)N(C)C 491198633 QSVVVFFAGOFFED-UHFFFAOYSA-N 246.267 -0.577 50 20 BBGD CC(C)[C@@H](CO)NCc1ccccc1B(O)O 585026465 NKBUHFGCCJMWCR-GFCCVEGCSA-N 237.108 -0.527 50 20 BBGD CCO[C@H](C(=O)N1CC[C@@H](B(O)O)C1)C1CC1 585067607 SYSILOKMZQBENG-ZJUUUORDSA-N 241.096 -0.123 50 20 BBGD CCNC(=O)NNC(=O)[C@@H]1CCCCN1C 737817137 WBDHMQALRGQIIV-QMMMGPOBSA-N 228.296 -0.179 50 20 BBGD CC(C)CC(=O)NNC(=O)[C@H]1CCNC(=O)C1 760334492 IWERFZFRTBNQRI-QMMMGPOBSA-N 241.291 -0.294 50 20 BBGD CCNC(=O)N(C)NS(=O)(=O)CCOC 768493599 GICHENFXZRKSBB-UHFFFAOYSA-N 239.297 -0.872 50 20 BBGD CN1CC[C@H](C(=O)NNC(=O)C2CCC2)C1=O 772949978 YYOPXVPYEKHXSJ-MRVPVSSYSA-N 239.275 -0.588 50 20 BBGD C[C@H]1OCC[C@@H]1C(=O)NN(C)C(N)=O 778419005 YSUBGJMWVLJLPG-RITPCOANSA-N 201.226 -0.547 50 20 BBGD CC[C@@H](C)C(=O)NNC(=O)C(C)(C)O 787946484 CXZBSZBWVCHRBW-ZCFIWIBFSA-N 202.254 -0.049 50 20 BBGD CC(C[C@H]1CCC(=O)N1)=NNC(=O)C(C)(C)O 811648383 JKAMXVQPIGZINB-MRVPVSSYSA-N 241.291 -0.082 50 20 BBGD CCN(CCO)NC(=O)c1cc(C)no1 823837340 AGTXMJGVJLAPAD-UHFFFAOYSA-N 213.237 -0.058 50 20 BBGD CCN(CCO)NC(=O)c1ccn(C)n1 823856254 NYUFRTXKUPDJSC-UHFFFAOYSA-N 212.253 -0.621 50 20 BBGD O=C(O)NCC(=O)NN=c1cc[nH]cc1Cl 832397562 XTVLZZFNAKEBIH-UHFFFAOYSA-N 244.638 -0.132 50 20 BBGD C=C(CO)C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 843972602 VEKCJKCKVREVKG-HTQZYQBOSA-N 228.248 -0.893 50 20 BBGD O=C(NNc1ncncc1F)[C@@H](O)C1CC1 854609074 KRFGGDHZAWEXPW-ZETCQYMHSA-N 226.211 -0.170 50 20 BBGD CSC(C)(C)C(=O)NNC(=O)CO 857169134 FTYRLKAJKGTXBF-UHFFFAOYSA-N 206.267 -0.732 50 20 BBGD COC(=O)[C@@](C)(CO)NS(=O)(=O)CCl 867380193 DWHKEQWACBRRLG-ZCFIWIBFSA-N 245.684 -0.974 50 20 BBGD COCCOCC(=O)NN=Cc1ccnn1C 872403897 XHEQMZOXZHVNFL-UHFFFAOYSA-N 240.263 -0.467 50 20 BBGD CCCNC(=O)NNC(=O)[C@]1(C)CCNC1=O 874214142 RRXHRVTUDCLOGQ-SNVBAGLBSA-N 242.279 -0.747 50 20 BBGD O=C(CCn1ccnn1)NNc1ncccn1 1116720681 BHYRNYSASPQMOX-UHFFFAOYSA-N 233.235 -0.399 50 20 BBGD CN(NC(=O)c1cc2n(n1)CCCO2)C(N)=O 1116789318 UKQQHAGKJFQORB-UHFFFAOYSA-N 239.235 -0.679 50 20 BBGD Cc1nocc1C(=O)NNC(=O)N(C)C 1261848291 UQGNXHFBJDEUEH-UHFFFAOYSA-N 212.209 -0.101 50 20 BBGD CN(NC(=O)c1ccnc(F)c1)C(N)=O 1319841337 BHKSYMNLFSZACC-UHFFFAOYSA-N 212.184 -0.124 50 20 BBGD CCN(CCO)NC(=O)CCc1ncccn1 1332467697 ASHHTQUXLMOGSI-UHFFFAOYSA-N 238.291 -0.245 50 20 BBGD CO[C@@H](C)C(=O)NNC(=O)C1CCOCC1 1336935019 MVLKJAJKZGBEEG-ZETCQYMHSA-N 230.264 -0.405 50 20 BBGD C[C@H]1C[C@H](C(=O)NN(C)C(N)=O)CCO1 1337548735 FPKBVENDGVDRDE-NKWVEPMBSA-N 215.253 -0.157 50 20 BBGD CCOC(=O)NNC(=O)CC1CC(N)C1 1578007668 WYXUHVSWUZVWRB-UHFFFAOYSA-N 215.253 -0.109 50 20 BBGD CCN(CCO)NC(=O)C[C@H](C)CC(=O)O 1596341117 YRLPFOPUKVABFI-QMMMGPOBSA-N 232.280 -0.167 50 20 BBGD C[C@H](SCC(=O)NNC(=O)C1CC1)C(=O)O 1609991539 FBMUNSRBTFEIKW-YFKPBYRVSA-N 246.288 -0.250 50 20 BBGD C#CCNC(=O)NNc1nccc(OC)n1 127191163 XXESMQJEJOVQEQ-UHFFFAOYSA-N 221.220 -0.256 50 20 BBGD C=CCOCCCC(=O)NNC(=O)CO 182771910 VYZGPUATXIYVCU-UHFFFAOYSA-N 216.237 -0.891 50 20 BBGD COC[C@@H](C)C(=O)Nc1cccc(B(O)O)c1 584909339 CPZPIEATMGOJDB-MRVPVSSYSA-N 237.064 -0.413 50 20 BBGD CC[C@@H](CC#N)NCc1ccc(B(O)O)o1 585034019 DYUGSBADLMYIHJ-QMMMGPOBSA-N 222.053 -0.259 50 20 BBGD CO[C@H](CNCc1ccc(B(O)O)cc1)C1CC1 585043436 OFMLITYZAJULEZ-CYBMUJFWSA-N 249.119 -0.119 50 20 BBGD CCCNC(=O)NNC(=O)[C@@H](C)n1cncn1 729920610 NHKSAFDFDHQVQF-SSDOTTSWSA-N 240.267 -0.421 50 20 BBGD CCCNC(=O)NNC(=O)C1(O)CCC1 772449776 CWEJIEGZOCBQLE-UHFFFAOYSA-N 215.253 -0.358 50 20 BBGD Cn1nncc1NC(=O)NNC(=O)c1ccc[nH]1 809911011 UYTUAUOLOGIDKP-UHFFFAOYSA-N 249.234 -0.390 50 20 BBGD CNC(=S)N(C)NC(=O)[C@@H]1CCOC1 822547801 QFKPQVWSALIAQH-ZCFIWIBFSA-N 217.294 -0.510 50 20 BBGD CCn1cc(C(=O)NN(C)C[C@@H](C)O)nn1 822563575 MUUDMKBGPNVZJH-SSDOTTSWSA-N 227.268 -0.745 50 20 BBGD CCN(CCO)NC(=O)Cn1nc(C)cc1C 823841957 NMORCERVNRYWCY-UHFFFAOYSA-N 240.307 -0.155 50 20 BBGD CCc1n[nH]cc1C(=O)NN(CC)CCO 823846911 OPUXKOMFQLDBGR-UHFFFAOYSA-N 226.280 -0.069 50 20 BBGD CCO/C=C\C(=O)NN(C)[C@@H](C)CO 823923125 PCRHOHCXNURDIX-SLGIHZDVSA-N 202.254 -0.120 50 20 BBGD C=C[C@](C)(O)C(=O)NNC(=O)Cc1ccncc1 829565539 MHKKLMRJKJSYFP-LBPRGKRZSA-N 249.270 -0.292 50 20 BBGD CC(C)NC(=O)NNC(=O)[C@H]1CC[C@H]1C(N)=O 847401617 IRUWBILFEXTIGE-RQJHMYQMSA-N 242.279 -0.763 50 20 BBGD Cc1nn(C(C)C)cc1C(=O)NNC(=O)CO 848372687 BAQQFEVXNSQZAM-UHFFFAOYSA-N 240.263 -0.474 50 20 BBGD CNC(=S)N(C)NC(=O)[C@@H]1CCCN1C 854923620 BVCHAIIJSGGBNT-ZETCQYMHSA-N 230.337 -0.452 50 20 BBGD CC[C@H](O)[C@H](C)C(=O)NNC(=O)C(C)(C)O 907624705 CVVLYHAIVPMQFP-BQBZGAKWSA-N 232.280 -0.688 50 20 BBGD CC[C@H](O)[C@H](C)C(=O)NN(C)C(=S)NC 909991653 FXEBDQZBAXFEAM-BQBZGAKWSA-N 233.337 -0.139 50 20 BBGD C[C@H](O)CN(C)NC(=O)[C@H]1CCCO1 910160966 RBGMPVVMIZFPCR-JGVFFNPUSA-N 202.254 -0.491 50 20 BBGD C[C@H](C(=O)NNC(=O)C1CCC1)S(C)(=O)=O 1318449658 CKXFOJVZAYOHRT-ZCFIWIBFSA-N 248.304 -0.633 50 20 BBGD CC(C)(C)C(=O)NNC(=O)c1ccc(O)nn1 1319115415 LVAPHPRMXSDFKP-UHFFFAOYSA-N 238.247 -0.011 50 20 BBGD CC(C)C(=O)NNS(=O)(=O)c1cn(C)cn1 1322264983 PCPFAIKBQTXDQC-UHFFFAOYSA-N 246.292 -0.614 50 20 BBGD CC(=O)NNC(=O)[C@H]1CCc2c[nH]nc2C1 1324631234 YELRFPSTECHWPE-ZETCQYMHSA-N 222.248 -0.318 50 20 BBGD CC(=NNC(=O)C(=O)O)c1cn(C)c(C)n1 1602987836 ZLVZLNDFYXBFOY-UHFFFAOYSA-N 224.220 -0.347 50 20 BBGD CN(NC(=O)c1ccc(C(=O)O)n1C)C(N)=O 1606180602 CDOKIJJMKFJSLP-UHFFFAOYSA-N 240.219 -0.621 50 20 BBGD COc1ccc(C(=O)NCB(O)O)cc1 195522705 OVIQLNDHPWKQHK-UHFFFAOYSA-N 209.010 -0.563 50 20 BBGD CC(=NNC(=O)C(N)=O)c1ccc(C)o1 254393799 QKYTXIFJYRMIEQ-UHFFFAOYSA-N 209.205 -0.086 50 20 BBGD CC(=O)NNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 377880214 SLYWIRNZQRZUIR-XHNCKOQMSA-N 212.249 -0.031 50 20 BBGD CC(C)[C@@H]1CCO[C@@H]1C(=O)NCB(O)O 585062166 CIARQRRDMFEZFQ-YUMQZZPRSA-N 215.058 -0.824 50 20 BBGD Cc1nscc1C(=O)NNC(=O)CO 753442600 JHOGWHROFDWNCV-UHFFFAOYSA-N 215.234 -0.795 50 20 BBGD C[C@@H](CO)N(C)NC(=O)COc1cccnc1 823965276 LHOFLKGZFRWJFI-VIFPVBQESA-N 239.275 -0.196 50 20 BBGD C=C[C@](C)(O)C(=O)NNC(=O)c1cnn(C)c1 828087145 DZGWPHXRMBMUJP-JTQLQIEISA-N 238.247 -0.882 50 20 BBGD CC#CC(=O)NNC(=O)[C@H]1CCO[C@@H]1C 843973577 YSBDVWMQHXQTGV-SFYZADRCSA-N 210.233 -0.418 50 20 BBGD COCC(=NNC(=O)[C@@H]1CCC(=O)N1)C1CC1 863148747 JOSBAGKNNNTFFV-QMMMGPOBSA-N 239.275 -0.206 50 20 BBGD COCCC(C)=NNC(=O)CS(C)(=O)=O 863186234 SPFCXTROJUJXLJ-UHFFFAOYSA-N 236.293 -0.440 50 20 BBGD O=C(c1ccc(B(O)O)cc1)N1CCC[C@H]2C[C@@H]21 863881998 DXRURCQMHREWJP-JQWIXIFHSA-N 245.087 -0.009 50 20 BBGD CC(C)NC(=O)NNC(=O)CO[C@H]1CCOC1 1116206045 VGBPCTQANJIRJJ-QMMMGPOBSA-N 245.279 -0.469 50 20 BBGD CC(=O)NNC(=O)[C@H](C)Cc1cnc[nH]1 1118374415 ZKBMZKNZWWURNJ-ZCFIWIBFSA-N 210.237 -0.244 50 20 BBGD CC(C)(C)C(=O)NNC(=O)c1cnnc(O)c1 1118555019 SXTQTPCKQDAGEV-UHFFFAOYSA-N 238.247 -0.011 50 20 BBGD Nc1nccnc1C(=O)NNc1ncccn1 1317792707 GLBAOZBCUQGTLJ-UHFFFAOYSA-N 231.219 -0.394 50 20 BBGD CC(=NNC(=O)C(N)=O)c1cnc(C)s1 1319787919 ROUFJGNRHIOOHI-UHFFFAOYSA-N 226.261 -0.223 50 20 BBGD O=C(CO)NNC(=O)c1ocnc1C1CC1 1323809729 YDMIJBQSJRLBIU-UHFFFAOYSA-N 225.204 -0.695 50 20 BBGD CS(=O)(=O)CC(=O)NCCCSC#N 1324619388 ZKXBQCUXIZXWDW-UHFFFAOYSA-N 236.318 -0.248 50 20 BBGD O=C(CCl)NCCS(=O)(=O)C1CC1 1328381162 MOXHSGIGEKIDPY-UHFFFAOYSA-N 225.697 -0.081 50 20 BBGD C=C[C@@H](COC)NCc1cccc(B(O)O)c1 1329267657 LUHOGMUUBMCFRE-LBPRGKRZSA-N 235.092 -0.343 50 20 BBGD Cc1cnn(CC(=O)N2CC[C@H](B(O)O)C2)c1 1351730198 VFFHGULVSYTLNS-VIFPVBQESA-N 237.068 -0.733 50 20 BBGD COC(=O)N(C)NC(=O)N[C@H]1CCCNC1 1578822716 KMMVOBNUTQZEIG-ZETCQYMHSA-N 230.268 -0.349 50 20 BBGD CO[C@@H](CN)C(=O)NNc1ncc(F)cn1 1579111198 SGIGQLAXWLPPNN-LURJTMIESA-N 229.215 -0.968 50 20 BBGD CCCCNC(=O)NNC(=O)COCC(=O)O 1589650309 IMPDNXDBTVUCLH-UHFFFAOYSA-N 247.251 -0.782 50 20 BBGD C[C@@H](CC(=O)O)CC(=O)NNC(=O)NC1CC1 1592391599 NFDODUTZSAZTCF-ZCFIWIBFSA-N 243.263 -0.020 50 20 BBGD N#Cc1cccc(NC(=O)NNC(=O)C(=O)O)c1 1601120634 CEWDMBDIMWUCKN-UHFFFAOYSA-N 248.198 -0.204 50 20 BBGD CCS(=O)(=O)CC(=O)NNc1ncccn1 48890848 XVEVQLLUPLVWQI-UHFFFAOYSA-N 244.276 -0.646 50 20 BBGD CN(C)CCNS(=O)(=O)CCl 82511969 LGHUOELGMZOYEG-UHFFFAOYSA-N 200.691 -0.336 50 20 BBGD CCOC(=O)CC(=O)NNC(=O)CC1CC1 298453931 WMJNNTVGTGMGBH-UHFFFAOYSA-N 228.248 -0.113 50 20 BBGD COC[C@H](C)NC(=S)NNC(N)=O 379392237 RKTXRSADXBFAGS-BYPYZUCNSA-N 206.271 -0.931 50 20 BBGD C[C@H](NCc1ccc(B(O)O)cc1)[C@@H]1CCOC1 585026195 CYRFSVQBIUCRQW-CMPLNLGQSA-N 249.119 -0.119 50 20 BBGD CC[C@@H](OC)C(=O)NNC(=O)c1c[nH]nc1C 732083018 UEBNFPAVCYWSIJ-MRVPVSSYSA-N 240.263 -0.096 50 20 BBGD CN(C)C(=O)NNC(=O)[C@]1(C)CCOC1 755197104 FHMKKLSFDKTOIY-SECBINFHSA-N 215.253 -0.285 50 20 BBGD O=C(Cc1cc[nH]n1)NNC(=O)c1cnc[nH]1 755289195 OCDNANHULSWWDT-UHFFFAOYSA-N 234.219 -0.864 50 20 BBGD C#CCNC(=S)NNC(=O)NCCCOC 758211236 YSLLFHRYBSLRHF-UHFFFAOYSA-N 244.320 -0.666 50 20 BBGD COC(=O)NNC(=O)[C@@H]1C[C@H]2CC[C@H]1O2 765853758 QUUGFZZBXLQCNE-FSDSQADBSA-N 214.221 -0.059 50 20 BBGD CCCNC(=O)NNC(=O)COC(F)F 795625146 KBSBLYUIAFBWAG-UHFFFAOYSA-N 225.195 -0.034 50 20 BBGD CCN(CCO)NC(=O)[C@H]1CCCN1C 823859896 CWTZMMORJIWHEY-SECBINFHSA-N 215.297 -0.574 50 20 BBGD C=C[C@@](C)(O)C(=O)NNC(=O)c1c[nH]nc1C 826753820 IYBYLBVFZLRVDV-SNVBAGLBSA-N 238.247 -0.584 50 20 BBGD O=C(NNc1cccnn1)C1(n2cnnn2)CC1 832044973 UXVXXZDHCHBWRT-UHFFFAOYSA-N 246.234 -0.905 50 20 BBGD CO[C@H](C)C(=O)NNC(=O)c1cc[nH]n1 855359312 NETRMTFZFFDUDD-RXMQYKEDSA-N 212.209 -0.794 50 20 BBGD Cc1nn(C)c(C)c1C(=O)NN(C)C[C@@H](C)O 910178810 DUVSAWBJBMGGRV-SSDOTTSWSA-N 240.307 -0.006 50 20 BBGD CC(=O)CCC(=O)NNC(=O)NC1CC1 920766574 ZOASGEALQVVTLW-UHFFFAOYSA-N 213.237 -0.152 50 20 BBGD C[C@H](CO)N(C)NC(=O)CCn1cncn1 1119047771 MWVJJHNCEJZFNN-MRVPVSSYSA-N 227.268 -0.988 50 20 BBGD CC(=O)NCC(=O)NNC(=O)C1CCC1 1318454187 PGGLYUOMEFNEFQ-UHFFFAOYSA-N 213.237 -0.930 50 20 BBGD COCn1ccc(C(=O)NN(C)C(N)=O)n1 1328273879 PCZQZTAXCIPXHV-UHFFFAOYSA-N 227.224 -0.858 50 20 BBGD Cc1cc(C(=O)NNc2nccn(C)c2=O)n[nH]1 1339890353 HCTPMKKNZXRFKR-UHFFFAOYSA-N 248.246 -0.431 50 20 BBGD CC(C)NC(=S)NNC(=O)CC1OCCO1 1344366664 NTUSIKOHUUOZFM-UHFFFAOYSA-N 247.320 -0.347 50 20 BBGD CCC(=O)NNC(=O)[C@@H](C)N1CCC[C@H](O)C1 111192325 KDTVNLHUZOIARB-BDAKNGLRSA-N 243.307 -0.611 50 20 BBGD COCCC1(C(=O)NNC(=O)CO)CCC1 180949550 JCLWRCUEMNJIRB-UHFFFAOYSA-N 230.264 -0.667 50 20 BBGD O=C(CO)NNC(=O)Nc1cccc(F)c1 186398284 DLURWSZRHQATNT-UHFFFAOYSA-N 227.195 -0.029 50 20 BBGD C=C[C@@](C)(O)CC(=O)NNC(=O)[C@@H]1CCCO1 294703553 RDSCEJLSUSCYPD-GZMMTYOYSA-N 242.275 -0.360 50 20 BBGD CCOC(=O)NN=Cc1cn(CC(=O)O)nn1 493474245 WMSPONCEROFFQO-UHFFFAOYSA-N 241.207 -0.557 50 20 BBGD OB(O)c1ccc(CNCC2CCOCC2)o1 585020168 OWBGOMHRAUJMGH-UHFFFAOYSA-N 239.080 -0.524 50 20 BBGD O=C1CC[C@H](C(=O)NNC(=O)c2ccccn2)N1 729833349 FTBYDMCBMKMXAK-MRVPVSSYSA-N 248.242 -0.879 50 20 BBGD C/C=C\C(=O)NNC(=O)c1cnn(C)c1 735444084 ANXFZWCKFFEYGF-ARJAWSKDSA-N 208.221 -0.243 50 20 BBGD CC(C)NC(=O)C(=O)NNC(=O)C1CC=CC1 740815042 HVXDFRJHBLKIFC-UHFFFAOYSA-N 239.275 -0.375 50 20 BBGD O=C(CO)NNC(=O)[C@@H]1CCCCS1 753445652 RYVNPPPREDEWKK-LURJTMIESA-N 218.278 -0.588 50 20 BBGD COC(=O)CNC(=O)NN=CC[C@H]1CCOC1 779818171 WZIKALRPCFOFFR-QMMMGPOBSA-N 243.263 -0.129 50 20 BBGD CNC(=O)CCCC(=O)NNC(=O)C(C)C 781071739 YTCLJHGGFZKIQQ-UHFFFAOYSA-N 229.280 -0.294 50 20 BBGD O=C(Cc1cc[nH]n1)NNC1=NCC(O)=C1 814957729 UHUTUIZTTRBNTK-UHFFFAOYSA-N 221.220 -0.573 50 20 BBGD O=C(NNc1ncncc1F)[C@H]1COCCO1 817081575 AARUNKJLMQZEKM-SSDOTTSWSA-N 242.210 -0.526 50 20 BBGD CCN(CCO)NC(=O)[C@@H]1CCCO1 823833862 MDXPEZHWRCJDQC-QMMMGPOBSA-N 202.254 -0.489 50 20 BBGD COC(=O)[C@@H]1C[C@@H]1C(=O)NN(C)[C@H](C)CO 823929338 XUEOSRKGKIPHBU-GJMOJQLCSA-N 230.264 -0.861 50 20 BBGD O=C(CC(F)(F)F)NNC(=O)c1ncon1 832825843 IULHXXUUGLCOLT-UHFFFAOYSA-N 238.125 -0.217 50 20 BBGD COC[C@H](OC)C(=O)NNC(=O)c1ccc[nH]1 854279274 TVDISCHKKYHZBE-QMMMGPOBSA-N 241.247 -0.563 50 20 BBGD Cc1ccc(C=NNC(=O)C(=O)O)cn1 1607767517 GMXHPPVIQIJTHG-UHFFFAOYSA-N 207.189 -0.075 50 20 BBGD O=C(O)C(=O)NN=C1C[C@H]2CCCN(C1)C2 1608530879 KKBFAQUKWNXRJR-SSDOTTSWSA-N 225.248 -0.341 50 20 BBGD CC(=O)NNC(=O)CNC(=O)c1ccco1 23199183 DXOIGSDVDHMHSQ-UHFFFAOYSA-N 225.204 -0.823 50 20 BBGD O=C(NCCn1ccnc1)NNc1ncccn1 43311461 CCZAFNXBDYEUGJ-UHFFFAOYSA-N 247.262 -0.001 50 20 BBGD OB(O)c1ccc(CNC2CCOCC2)o1 585017092 LGALCQZIOGKFPX-UHFFFAOYSA-N 225.053 -0.772 50 20 BBGD C[C@@H](O)CCNCc1ccc(B(O)O)cc1F 585031120 RFTDFBXVTQPCFE-MRVPVSSYSA-N 241.071 -0.634 50 20 BBGD OB(O)c1ccc(CN[C@H]2C=CCC2)o1 585047719 UALLJUOYZGBJSY-QMMMGPOBSA-N 207.038 -0.232 50 20 BBGD COc1ccc(OCC(=O)NNC(N)=O)cc1 706018439 MFLRWFWXWSQOHI-UHFFFAOYSA-N 239.231 -0.227 50 20 BBGD N#CC(C#N)=CNCCN1C(=O)CCC1=O 733773656 MNUZEYUWYSCSNF-UHFFFAOYSA-N 218.216 -0.344 50 20 BBGD CC(=O)N1CCC[C@H](C(=O)NNC(=O)O)C1 736136202 VJYCTVHGHIJGSG-ZETCQYMHSA-N 229.236 -0.456 50 20 BBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)C(C)(C)O 768261013 JYWOJQPNSPEOTG-BQBZGAKWSA-N 230.264 -0.670 50 20 BBGD CC(=O)NNC(=O)[C@H]1CCCN1C1CC1 786621480 QBCQSEIAPJHVJL-SECBINFHSA-N 211.265 -0.220 50 20 BBGD CC[C@H](C)C(=O)NNC(=O)C(C)(C)O 787946483 CXZBSZBWVCHRBW-LURJTMIESA-N 202.254 -0.049 50 20 BBGD CCC[C@H](O)C(=O)NN(C)C[C@@H](C)O 822556873 ITFAVWQRUDAOMM-SFYZADRCSA-N 204.270 -0.509 50 20 BBGD C[C@H](CO)N(C)NC(=O)c1ccn(C)c1 823947539 ZANQYDUZVOQZSQ-MRVPVSSYSA-N 211.265 -0.018 50 20 BBGD CC(=O)NNC(=O)[C@@]12CCC(=O)N1CCS2 849133500 XMWCQMKGGDXFQJ-VIFPVBQESA-N 243.288 -0.781 50 20 BBGD COC[C@@H](OC)C(=O)NNc1ccncn1 854746529 CREAPNBIQGTTFS-SSDOTTSWSA-N 226.236 -0.419 50 20 BBGD CNC(=S)N(C)NC(=O)C(C)(C)NC(C)=O 854925205 FYTSQOUEGDPJRC-UHFFFAOYSA-N 246.336 -0.632 50 20 BBGD COC1(C(=O)NNC(=O)c2cc[nH]n2)CCC1 855356023 FFYSZGAMZJFHID-UHFFFAOYSA-N 238.247 -0.260 50 20 BBGD O=C(NNC(=O)[C@H]1CC1(F)F)c1cc[nH]n1 855356304 OUEBTLLMADOTAE-SCSAIBSYSA-N 230.174 -0.174 50 20 BBGD O=C(NN1CCCCC1)c1cccc(B(O)O)c1 863878882 VZYIGRUEOMANPT-UHFFFAOYSA-N 248.091 -0.503 50 20 BBGD CC(=O)NNC(=O)C(=O)Nc1ccccc1 1116618258 OTKQESUJBMXGBB-UHFFFAOYSA-N 221.216 -0.208 50 20 BBGD O=C(CCn1ccnn1)NNc1ccncn1 1118777675 DEUJXTLPESJMRI-UHFFFAOYSA-N 233.235 -0.399 50 20 BBGD CCNC(=O)NNC(=O)[C@@H]1CCN(C)C(=O)C1 1251280100 NOAFXINOHRBHPN-SSDOTTSWSA-N 242.279 -0.795 50 20 BBGD CCc1cc(C(=O)NNC(=O)NC)c(C)nn1 1320157841 DEKGLUQGJOTSPV-UHFFFAOYSA-N 237.263 -0.079 50 20 BBGD CC(=O)NNC(=O)COCc1ncc(C)o1 1322037068 KMHLNXOSNJIOQT-UHFFFAOYSA-N 227.220 -0.333 50 20 BBGD CNC(=O)NNC(=O)c1ccc(C(=O)OC)[nH]1 1324460754 STQICWOATCUAEE-UHFFFAOYSA-N 240.219 -0.625 50 20 BBGD CS(=O)(=O)CC(=O)NNC(=O)c1ccoc1 1329179687 UVVLHMPSBJLAFF-UHFFFAOYSA-N 246.244 -0.915 50 20 BBGD Cc1nn[nH]c1C(=O)NNC(=O)C1CCC1 1338902977 BIIJVQGLIMUQGP-UHFFFAOYSA-N 223.236 -0.326 50 20 BBGD O=C(O)CCc1ccc(C=NNC(=O)CO)o1 1776052657 FEIMTUGVKATWHO-UHFFFAOYSA-N 240.215 -0.261 50 20 BBGD CCOC(=O)/C(C#N)=C/NC[C@@H]1COCCO1 48629678 KLQQEQCTXXGRRM-OLKPEBQYSA-N 240.259 -0.038 50 20 BBGD COc1ccnc(NNC(=O)c2cn(C)cn2)n1 178193921 PXTGSQOUPMBZLT-UHFFFAOYSA-N 248.246 -0.024 50 20 BBGD NNC(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O 270219945 LXSDJIHQRZLPPU-BQBZGAKWSA-N 225.248 -0.849 50 20 BBGD CCN(C)C(=O)COc1ccc(B(O)O)cc1 584909136 GJUHHLULDOFFCF-UHFFFAOYSA-N 237.064 -0.777 50 20 BBGD C=C[C@H](CO)NCc1ccc(B(O)O)cc1F 585049652 JAKFYFMJORGSFX-SNVBAGLBSA-N 239.055 -0.858 50 20 BBGD COCCCC(=O)NNC(=O)N(C)C 746001503 OEJSLYQKYGCCGI-UHFFFAOYSA-N 203.242 -0.285 50 20 BBGD CCNC(=O)CCC(=O)NNc1cccnn1 753090735 YXFDKDMBUHNCNJ-UHFFFAOYSA-N 237.263 -0.164 50 20 BBGD C[C@H](O)C(=O)NNC(=O)c1ccccc1 765459943 IALLNEAFVNYUGW-ZETCQYMHSA-N 208.217 -0.172 50 20 BBGD Cc1cc(C(=O)NNC(=O)c2ncccn2)n[nH]1 768279083 YSVRDCZZEWWKNW-UHFFFAOYSA-N 246.230 -0.417 50 20 BBGD Cc1[nH]nc2ncc(C(=O)NN(C)C(N)=O)cc12 778415567 KREBVRQQJOJWCM-UHFFFAOYSA-N 248.246 -0.078 50 20 BBGD COCC(=O)NN=C1COCCOC1 814871039 HFCMERUDPPJJHN-UHFFFAOYSA-N 202.210 -0.848 50 20 BBGD CN(NC(=O)CN1CCCC1)C(N)=O 821459156 HIHBIXZATLBALV-UHFFFAOYSA-N 200.242 -0.876 50 20 BBGD CCN(CCO)NC(=O)[C@@H]1C[C@@]12CCOC2 823873515 CEGBWSVLLWCCNY-GXSJLCMTSA-N 228.292 -0.242 50 20 BBGD CCN(CCO)NC(=O)/C=C\[C@H]1CCOC1 823889522 ZQEWRUZQNTVDKT-XOULXFPDSA-N 228.292 -0.076 50 20 BBGD C[C@H](CO)N(C)NC(=O)C1=COCC1 823959098 AYCMQXHDFTWXKU-SSDOTTSWSA-N 200.238 -0.366 50 20 BBGD CCC(=O)NNC(=O)[C@@H](C)N1CC[C@@H](F)C1 830479894 LFRKSKKOZNSDDO-HTQZYQBOSA-N 231.271 -0.024 50 20 BBGD CC[C@H](C#N)C(=O)NNC(=O)NCCCOC 845298453 LCXHQKUOZRLBRM-MRVPVSSYSA-N 242.279 -0.097 50 20 BBGD CCOC(=O)NNC(=O)Cn1nccc1C 858112407 LOXVWXKLTURLOX-UHFFFAOYSA-N 226.236 -0.031 50 20 BBGD C[C@@H]1CC(=NNC(=O)[C@H]2CCC(=O)N2)CN1C 863148992 OESPYWZCRUMXIK-VXNVDRBHSA-N 238.291 -0.539 50 20 BBGD COCCOCC(=O)NNC(=O)C1(C)CCC1 869909709 HHKJLFLDEWODIW-UHFFFAOYSA-N 244.291 -0.013 50 20 BBGD C[C@H](CO)N(C)NC(=O)[C@H]1CCCC(=O)N1C 911444212 CELPJXVHICUQBY-RKDXNWHRSA-N 243.307 -0.659 50 20 BBGD COC(=O)Cc1occc1C(=O)NNC(C)=O 1116944672 ACFOMVDAJYUDDB-UHFFFAOYSA-N 240.215 -0.224 50 20 BBGD CN(C)S(=O)(=O)/C(C#N)=C/c1cnnn1C 1321107097 UEOUDQKWXZBLHY-XBXARRHUSA-N 241.276 -0.429 50 20 BBGD CN(NC(=O)C[C@H]1CCCOC1)C(N)=O 1321204003 FHEQLZVGYKZKNN-SSDOTTSWSA-N 215.253 -0.155 50 20 BBGD CNC(=O)NNC(=O)[C@]1(F)CCOC1 1324036793 KCNILXVSQAFRFM-ZETCQYMHSA-N 205.189 -0.925 50 20 BBGD CNC(=O)CSCC(=O)NNC(=O)C1CC1 1327029541 LFGDTRFMJGRCHX-UHFFFAOYSA-N 245.304 -0.977 50 20 BBGD Cn1ccc(NNC(=O)c2cc[nH]n2)n1 1344049716 RTYYDVGHGXKTCR-UHFFFAOYSA-N 206.209 -0.100 50 20 BBGD CCOC(=O)/C(C#N)=C/NC[C@H](F)C(=O)O 1596509255 FILXANTXLIBLSG-KNIZRNDPSA-N 230.195 -0.031 50 20 BBGD O=C(NC[C@H]1C=CCC1)NNC(=O)C(=O)O 1601477105 FDKIGCWAHXHZFE-LURJTMIESA-N 227.220 -0.632 50 20 BBGD CC(=O)NNC(=O)c1cccc(-n2cnnn2)c1 48089250 YBIUOWCEKIBCCE-UHFFFAOYSA-N 246.230 -0.557 50 20 BBGD Cc1cc(F)cc(C(=O)NNC(=O)CO)c1 182760422 QKIGCXBQMBOQNY-UHFFFAOYSA-N 226.207 -0.113 50 20 BBGD CCOC(=O)NCCC(=O)NNc1nc[nH]n1 495692157 UWONWIPRIVRUHW-UHFFFAOYSA-N 242.239 -0.616 50 20 BBGD OB(O)c1ccc(CN[C@@H]2CCOC2)c(F)c1 585029519 GLZPNOMFGBRNAP-SNVBAGLBSA-N 239.055 -0.616 50 20 BBGD CC[C@@H](NCc1ccccc1B(O)O)[C@H](C)O 585044097 YPGHMEAASDQJCK-JOYOIKCWSA-N 237.108 -0.385 50 20 BBGD C#CCNC(=S)NNC(=O)NCC1CC1 758207957 CDJVVBVTBLPONY-UHFFFAOYSA-N 226.305 -0.292 50 20 BBGD C[C@@H]1C[C@H](C(=O)NNC(=O)C(C)(C)O)CCO1 768258987 CJKFDBVCCIWYMM-HTQZYQBOSA-N 244.291 -0.280 50 20 BBGD COC(=O)CNC(=O)NN=C(C)CCO 779820570 FRUIBHFQVYGKEI-UHFFFAOYSA-N 217.225 -0.783 50 20 BBGD CCc1cncc(C(=O)NNC(=O)CO)c1 790919967 WSFXFDIKXPJAQQ-UHFFFAOYSA-N 223.232 -0.603 50 20 BBGD COC(=O)CNC(=O)NN=C1CCOC[C@H]1C 794529718 FZPTVZAROWVZNM-SSDOTTSWSA-N 243.263 -0.129 50 20 BBGD COC(=O)CNC(=O)NN=C1C(=O)OC[C@H]1C 794929660 WSHZPGUEHSLBDM-RXMQYKEDSA-N 243.219 -0.993 50 20 BBGD C=C[C@@](C)(O)C(=O)NNC(=O)NCC 823804087 KCRSXWCHGLZXFJ-MRVPVSSYSA-N 201.226 -0.726 50 20 BBGD NNC(=O)[C@@H]1COCCN1CC(F)(F)F 825645038 NPDMJJOIQZGTKU-YFKPBYRVSA-N 227.186 -0.761 50 20 BBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)C1=COCC1 843976210 WEPNCTMEVUCGII-CBAPKCEASA-N 240.259 -0.137 50 20 BBGD CN(NC(=O)[C@@H]1CC[C@@H]1C(N)=O)C1CC1 848229795 PQGGOTJXACSIBI-JGVFFNPUSA-N 211.265 -0.377 50 20 BBGD COCCN(C)NC(=O)[C@@H](C)[C@@H]1CCC(=O)N1 861656984 HWRGYPVHGCENTD-IUCAKERBSA-N 243.307 -0.490 50 20 BBGD CNC(=O)NCCC(=O)N1CC=C(C#N)CC1 1326313166 ADALEMNSLVSSFP-UHFFFAOYSA-N 236.275 -0.012 50 20 BBGD CN(C)C(=O)C1CCC(C(=O)NN)CC1 1327562563 LHBXIZJEDFDKAU-UHFFFAOYSA-N 213.281 -0.129 50 20 BBGD COC(=O)C(=O)NN=C(C)c1cc[nH]n1 1330310489 JDCZNBSIICADBA-UHFFFAOYSA-N 210.193 -0.577 50 20 BBGD CCNC(=O)N(C)NC(=O)c1cnc(N)cn1 1332431177 ALKFFBXAOHSWQI-UHFFFAOYSA-N 238.251 -0.635 50 20 BBGD COC(=O)[C@H]1C[C@@H](C(=O)NN(C)[C@@H](C)CO)C1 1358320714 NLVHXLXDXBNULM-XHNCKOQMSA-N 244.291 -0.471 50 20 BBGD O=C(O)CNS(=O)(=O)CCCCl 1602075344 ZUIPWYMCOHOEBM-UHFFFAOYSA-N 215.658 -0.381 50 20 BBGD Cc1cc(C(=O)NNC(=O)[C@@H]2CCOC2)[nH]n1 153036169 MUOGNLXGRKIUGZ-SSDOTTSWSA-N 238.247 -0.484 50 20 BBGD O=C(O)COCC(=O)NNc1ccccn1 156715941 KFMMVRADDDUKSR-UHFFFAOYSA-N 225.204 -0.374 50 20 BBGD O=C(CO)NNC(=O)c1ccc2ccccc2n1 180945435 ZCKWQPHLQUDMHE-UHFFFAOYSA-N 245.238 -0.012 50 20 BBGD COC(=O)NNC(=O)[C@@H]1C[C@]12CCOC2 375169742 BMNXVEIFZFQCJJ-RCOVLWMOSA-N 214.221 -0.200 50 20 BBGD O=C(NCB(O)O)[C@@H]1[C@H]2Cc3ccccc3[C@H]21 585062260 FCGUFVRSQVHDPZ-HBNTYKKESA-N 231.060 -0.300 50 20 BBGD CCNC(=O)NNC(=O)C[C@H](C)OC 749586414 VDQAMRXBPDIWPZ-LURJTMIESA-N 203.242 -0.238 50 20 BBGD O=C(O)Cn1cc(C=NNC(=O)C2CC2)nn1 768477695 XMOMUGMVBMUAGD-UHFFFAOYSA-N 237.219 -0.777 50 20 BBGD CN1C(=O)C(=NNC(=O)CO)c2ccccc21 776777756 ORVIQWMNUAYPNR-UHFFFAOYSA-N 233.227 -0.524 50 20 BBGD O=C(CO)NNC(=O)CCCn1cccc1 777782825 QPLCVMDGHBLPRK-UHFFFAOYSA-N 225.248 -0.592 50 20 BBGD CCNC(=O)NNC(=O)CCC(C)(C)O 787203296 ZPWXVJFLJYYRRV-UHFFFAOYSA-N 217.269 -0.112 50 20 BBGD C=C[C@@H](O)C(=O)NNC(=O)c1ccccn1 816808410 MUURVXWYVIUNQX-MRVPVSSYSA-N 221.216 -0.611 50 20 BBGD CN1CCO[C@@H](C(=O)NN(C)C2CC2)C1 819648409 DAHIGXVQQLKQKE-SECBINFHSA-N 213.281 -0.558 50 20 BBGD C=C[C@@H]1OCC[C@H]1C(=O)NN(C)[C@@H](C)CO 823916987 CEWMSPRZLMBTCC-AEJSXWLSSA-N 228.292 -0.079 50 20 BBGD Cc1cc(=NNC(=O)[C@]2(C)CCNC2=O)cc[nH]1 824862651 GQAGSYPQYZRCEN-GFCCVEGCSA-N 248.286 -0.219 50 20 BBGD O=C(CO)NNC(=O)[C@@H]1C[C@H]1C1CCC1 846637998 ZXLSAOSUYSXFJS-JGVFFNPUSA-N 212.249 -0.438 50 20 BBGD COC[C@@H](C)CC(=O)NNC(=O)c1cn[nH]c1 862472197 HUVYKKUEQWPSNF-ZETCQYMHSA-N 240.263 -0.157 50 20 BBGD CC(C)C(=O)NNC(=O)c1cnc(O)n1C 864490751 LDNBBJNKKJSNBZ-UHFFFAOYSA-N 226.236 -0.457 50 20 BBGD O=C(CN1CCCC1=O)NNC(=O)C(F)F 913730351 RXDRVSJCMSGIOV-UHFFFAOYSA-N 235.190 -0.979 50 20 BBGD COC(=O)C(=O)NN=C1COC[C@H]1C 1262035452 KBSNKKRAJGIQJP-RXMQYKEDSA-N 200.194 -0.702 50 20 BBGD CC(C)NC(=S)NNC(=O)CN(C)C 1318199291 MNMJYGLMLKOEHN-UHFFFAOYSA-N 218.326 -0.548 50 20 BBGD CC(C)(O)C(=O)NNC(=O)CCc1cnc[nH]1 1321052339 PDXHFXYQFQNNIA-UHFFFAOYSA-N 240.263 -0.739 50 20 BBGD CC[C@H](N)C(=O)NNc1nncc(N)c1Cl 1326339523 XAOMRYZPFLMEKR-BYPYZUCNSA-N 244.686 -0.107 50 20 BBGD COCCONC(=O)NNc1ncccn1 1339474964 MUYZEVMGCSUEIB-UHFFFAOYSA-N 227.224 -0.319 50 20 BBGD CNNC(=O)COCc1nnc(C)s1 1578744695 LLYQJQGKKXHJGH-UHFFFAOYSA-N 216.266 -0.386 50 20 BBGD Cc1nnc(NNC(=O)CCC(=O)O)nc1O 1594493262 XQCCNPAULPHIQA-UHFFFAOYSA-N 241.207 -0.806 50 20 BBGD Cc1cc(C(=O)O)oc1C(=O)NNC(=O)CO 1600133834 XYMYNFRGZCXANT-UHFFFAOYSA-N 242.187 -0.960 50 20 BBGD NC(=O)C(=O)NN=C1CCC[C@@H](C(=O)O)C1 1601137122 JWWDQKMAAPHFRL-RXMQYKEDSA-N 227.220 -0.781 50 20 BBGD O=C(O)C(=O)NN=Cc1cnn2c1CCC2 1601635618 IFLQQSYIBJQGRH-UHFFFAOYSA-N 222.204 -0.636 50 20 BBGD C[C@@H]1CC(=NNC(=O)C(=O)O)CCO1 1604646016 NMIDJODIWKKLNJ-RXMQYKEDSA-N 200.194 -0.258 50 20 BBGD CC[C@H](C(=O)O)C(=O)NNC(=O)C1CC1 1609886929 XBCJWGQJOJZQRC-LURJTMIESA-N 214.221 -0.345 50 20 BBGD CNC(=O)NNC(=O)c1ccccc1O 48644173 JIOMDFZTKLDBIL-UHFFFAOYSA-N 209.205 -0.034 50 20 BBGD O=C(CN(CCO)C1CC1)NNC(=O)C1CC1 112977008 CTCAXPLGMATSTQ-UHFFFAOYSA-N 241.291 -1.000 50 20 BBGD CSC1(C(=O)NN(C)C(N)=O)CC1 190949703 JEWMLAYMBZXISP-UHFFFAOYSA-N 203.267 -0.076 50 20 BBGD OB(O)c1ccc(CN[C@H]2CCCOCC2)o1 585033093 XIDIJAMSVUVTRS-VIFPVBQESA-N 239.080 -0.382 50 20 BBGD C=CCCCS(=O)(=O)N1CC[C@@H](B(O)O)C1 585055984 IABWLNOBKHSQMJ-SECBINFHSA-N 247.125 -0.169 50 20 BBGD O=C(NCB(O)O)c1ccnc(Cl)c1 585061146 QJOZCNOZPIVQQS-UHFFFAOYSA-N 214.417 -0.523 50 20 BBGD C[C@H]1CCn2ncc(C(=O)NCB(O)O)c2C1 585062313 GDBSVJWBZPPRSG-ZETCQYMHSA-N 237.068 -0.793 50 20 BBGD O=S(=O)(CCl)NC[C@]1(O)CCSC1 642861554 KEBUCOQQAWNACR-ZCFIWIBFSA-N 245.753 -0.030 50 20 BBGD CC#CCNC(=O)NNC(=O)c1cnn(C)c1 762603588 XUNDMEQCGJGKCL-UHFFFAOYSA-N 235.247 -0.613 50 20 BBGD O=C(COC(F)F)NNC(=O)NC1CC1 795588869 XYBCIHMSHVTHNX-UHFFFAOYSA-N 223.179 -0.282 50 20 BBGD CC(C)C(=O)NNC(=O)C[C@@H]1CCCC(=O)N1 809145278 QDESLQKYHLYAOI-QMMMGPOBSA-N 241.291 -0.151 50 20 BBGD CC(=O)OC(C)(C)C(=O)NN(C)[C@@H](C)CO 823935616 UKAUSNWDIUHLKU-ZETCQYMHSA-N 232.280 -0.328 50 20 BBGD CO[C@@H](C)C(C)=NNC(=O)NCC(=O)O 833718273 JSKICLLRPDYGNN-LURJTMIESA-N 217.225 -0.219 50 20 BBGD CCc1[nH]ccc1C(=O)NNC(=O)CN(C)C 846632590 CEGCITMSHUAWCJ-UHFFFAOYSA-N 238.291 -0.100 50 20 BBGD CC(C)CC(=O)NNC(=O)c1cc(O)ncn1 858285271 VLRLVQVIHMBCRN-UHFFFAOYSA-N 238.247 -0.011 50 20 BBGD CNC(=S)N(C)NC(=O)C1CC(OC)C1 861962092 FYRGSRDZLGLWTH-UHFFFAOYSA-N 231.321 -0.121 50 20 BBGD CC[C@]1(C(=O)NNc2ncccn2)CCNC1=O 864768762 KOTPBFIEYFQTRX-NSHDSACASA-N 249.274 -0.164 50 20 BBGD NC(=O)C(=O)NN=Cc1ccc2c(c1)CCCO2 901126021 BZDFBUGHNUURAZ-UHFFFAOYSA-N 247.254 -0.053 50 20 BBGD C[C@H](O)CN(C)NC(=O)c1cnn2ncccc12 910151669 HVZMGBUXDNSWGL-QMMMGPOBSA-N 249.274 -0.313 50 20 BBGD CN(CCCNC=C(C#N)C#N)S(C)(=O)=O 915186117 JQMMSRCMCGNSAG-UHFFFAOYSA-N 242.304 -0.211 50 20 BBGD CNC(=O)NNC(=O)/C=C\c1cnn(C)c1 919877738 XMEOSKMLNTUXPF-ARJAWSKDSA-N 223.236 -0.607 50 20 BBGD COC(=O)N(C)NC(=O)N[C@H]1COC[C@H]1C 926031753 REMLIQVIFFCQFI-RQJHMYQMSA-N 231.252 -0.066 50 20 BBGD CCNC(=O)NNC(=O)c1ocnc1C 1319321032 OOTHBMDNHIKZQD-UHFFFAOYSA-N 212.209 -0.053 50 20 BBGD O=C(NCC1CC1)NNC(=O)c1cnc[nH]1 1321969091 AJPHJXGIPHGYCZ-UHFFFAOYSA-N 223.236 -0.236 50 20 BBGD Cc1ccnn1CC(=O)NNc1cnnn1C 1329654523 NTDGPZAAHQRYMB-UHFFFAOYSA-N 235.251 -0.537 50 20 BBGD NC(=O)C(=O)NNCC(F)(F)C(F)(F)F 1330275589 YGGHMIAQQHNZSL-UHFFFAOYSA-N 235.112 -0.710 50 20 BBGD CC(C)C(=O)NNC(=O)NC[C@H]1CCN1C 1341253183 YDJZQHZAJOCMNB-MRVPVSSYSA-N 228.296 -0.323 50 20 BBGD NC[C@@H](O)CC(=O)NNc1nc2ccccc2[nH]1 1580231654 BPABDNJPKFDXCT-ZETCQYMHSA-N 249.274 -0.284 50 20 BBGD CC(C)[C@@]1(C)C[C@H]1NC(=O)NNC(=O)C(=O)O 1603746408 UYCFEYMFUYQLOW-LHLIQPBNSA-N 243.263 -0.164 50 20 BBGD CN1CCN(c2csc(B(O)O)c2)CC1 1875251776 USUVZGNRQGUDAW-UHFFFAOYSA-N 226.110 -0.820 50 20 BBGD C#CCNC(=O)NN[C@@]1(C)CCS(=O)(=O)C1 490555968 OTAHZBLVDFKPMY-VIFPVBQESA-N 245.304 -0.999 50 20 BBGD CN(C(=O)c1cccc(B(O)O)c1)C1CCC1 584951177 ITEBLFLWAHWQSS-UHFFFAOYSA-N 233.076 -0.009 50 20 BBGD OB(O)c1ccc(CNCC2(O)CCCC2)cc1 585024414 XLQZVMHUMYWUMD-UHFFFAOYSA-N 249.119 -0.239 50 20 BBGD C[C@@H](NCc1ccc(B(O)O)o1)C1CC1 585043906 VLKNJTOKRJHKHE-SSDOTTSWSA-N 209.054 -0.153 50 20 BBGD CC1(C)OCC[C@H]1NCc1ccc(B(O)O)o1 585043987 WXJQNHCWGJQZGN-SECBINFHSA-N 239.080 -0.384 50 20 BBGD CCn1nc(C)c(CN2CC[C@@H](B(O)O)C2)n1 585078676 JNPCIYFHWGMLCW-SECBINFHSA-N 238.100 -0.345 50 20 BBGD C[C@@H](C(=O)NNC(=O)NCC1CC1)N(C)C 750610178 LXABDODASFGQFQ-ZETCQYMHSA-N 228.296 -0.323 50 20 BBGD CNC(=O)NNC(=O)c1ccc(CO)c(F)c1 773845578 BKWMZQHYVAKNFW-UHFFFAOYSA-N 241.222 -0.108 50 20 BBGD CCNC(=O)N(C)NC(=O)[C@H](C)NC(=O)CC 780712551 YKABVSHAMZRTNU-ZETCQYMHSA-N 244.295 -0.406 50 20 BBGD CN(C)CC(=O)NNC(=O)[C@@]1(C)CCCOC1 781423688 WXDVBTIYPOLNKW-NSHDSACASA-N 243.307 -0.488 50 20 BBGD CCCNC(=O)NNC(=O)Cc1ccn(C)n1 782603412 MPHFQQPKNPMOHP-UHFFFAOYSA-N 239.279 -0.297 50 20 BBGD CC[C@@H](C(=O)NNC(=O)C(C)C)C(=O)OC 790119714 VSQKUUIZKDKNIB-ZETCQYMHSA-N 230.264 -0.011 50 20 BBGD COCCCNC(=O)NN=C1C(=O)OC[C@@H]1C 794903497 LGOFYJGBUZJGRL-ZETCQYMHSA-N 243.263 -0.129 50 20 BBGD Cc1nc(C(=O)NNC(=O)CN(C)C)co1 801613379 GRIDKDSIRWJOEB-UHFFFAOYSA-N 226.236 -0.694 50 20 BBGD COCCC(COC)=NNC(=O)CO 812227540 GYBMEWXVMREDHF-UHFFFAOYSA-N 204.226 -0.866 50 20 BBGD Cc1nn(C)cc1C(=O)NN(C)[C@H](C)CO 823959405 HZVSAFDDVITZMX-SSDOTTSWSA-N 226.280 -0.314 50 20 BBGD Cc1cc(=NNC(=O)C[C@@H]2CCC(=O)N2)cc[nH]1 862511472 QNDFJDIZAVIJSS-VIFPVBQESA-N 248.286 -0.076 50 20 BBGD COC[C@@H](C)NC(=O)NN(C)C(=O)OC 864409094 PPROKTYUQJRPPJ-ZCFIWIBFSA-N 219.241 -0.066 50 20 BBGD CNC(=S)N(C)NC(=O)C1CSC1 868860404 XJKONEMSMZVELY-UHFFFAOYSA-N 219.335 -0.183 50 20 BBGD COC(=O)N(C)NC(=O)[C@@H]1CCCC(=O)N1C 908112807 JEZIEVBVWGTGJY-ZETCQYMHSA-N 243.263 -0.273 50 20 BBGD COCCN(C)NC(=O)CC(=O)OC 908115864 VABJIKWCYHBQMC-UHFFFAOYSA-N 204.226 -0.841 50 20 BBGD CCOC(=O)NCCC(=O)NN(C)C[C@H](C)O 910170562 MJBDBSTVCJPLQM-QMMMGPOBSA-N 247.295 -0.534 50 20 BBGD CCCn1cc(C(=O)NNC(=O)NCC)nn1 1116427065 DLIZGQNCJZWVIC-UHFFFAOYSA-N 240.267 -0.348 50 20 BBGD O=Cc1ccc(C(=O)N2CC[C@@H](B(O)O)C2)[nH]1 1119057151 AMEVRJKBDGSBTG-SSDOTTSWSA-N 236.036 -0.484 50 20 BBGD CCN(CCO)NC(=O)[C@@H](C)n1ccnc1 1119104123 HRSYXNWMTDDHAD-SECBINFHSA-N 226.280 -0.211 50 20 BBGD CN(C)S(=O)(=O)/C(C#N)=C/c1ncnn1C 1120077745 BRWCVTHMKCUHTR-QPJJXVBHSA-N 241.276 -0.429 50 20 BBGD Cc1nc(O)[nH]c1C(=O)NNC(=O)NC1CC1 1329038309 HNXJDDSNVWJBFZ-UHFFFAOYSA-N 239.235 -0.470 50 20 BBGD O=C(NNC(=O)[C@@H]1CCOC1)c1cccnn1 1330802055 GLMLCSIYZSVULG-SSDOTTSWSA-N 236.231 -0.726 50 20 BBGD CCO/C=C(\C#N)C(=O)NCc1nc(O)n[nH]1 1334541049 YUWSUEDHMUKJCB-AATRIKPKSA-N 237.219 -0.430 50 20 BBGD C[C@@H](O)CN(C)NC(=O)[C@@H](C)n1ccnc1 1339541195 ZQSAPASFBKNWKA-RKDXNWHRSA-N 226.280 -0.212 50 20 BBGD COC(=O)NNC(=O)C[C@@H](N)C(F)F 1578825279 XFANFSAZPRUNKQ-GSVOUGTGSA-N 211.168 -0.644 50 20 BBGD CNC(=O)NNS(=O)(=O)c1cccs1 48961995 UHSUASSOIDFQQY-UHFFFAOYSA-N 235.290 -0.130 50 20 BBGD CC(C)(CN1CCOCC1)C(=O)NN 86597603 IQHMHOPWVGDZSE-UHFFFAOYSA-N 201.270 -0.665 50 20 BBGD N#CC(C#N)=CNC[C@@H]1CN2CCN1CC2 178981863 DTJIZBAZZIMQMX-LLVKDONJSA-N 217.276 -0.493 50 20 BBGD COCCCOCC(=O)NNc1cnccn1 182545469 QISKCOYYEQELIH-UHFFFAOYSA-N 240.263 -0.027 50 20 BBGD CCc1ncsc1C(=O)NNC(=O)CO 182759045 LWOLENJAEDLWHV-UHFFFAOYSA-N 229.261 -0.541 50 20 BBGD C#Cc1cccc(NC(=O)NNC(=O)CO)c1 183490973 FCHHDRWXBXXAFY-UHFFFAOYSA-N 233.227 -0.187 50 20 BBGD CCOC(=O)NNC(=O)c1cc(OC)n(C)n1 495565971 NYLOHDJQZZJYDA-UHFFFAOYSA-N 242.235 -0.180 50 20 BBGD CCN(C)CCNCc1cccc(B(O)O)c1 585021393 URHGHFXLPYOZPX-UHFFFAOYSA-N 236.124 -0.592 50 20 BBGD CC(C)CS(=O)(=O)N1CC[C@@H](B(O)O)C1 585057500 FVVNARGRIJLXRE-MRVPVSSYSA-N 235.114 -0.479 50 20 BBGD C[C@@H]1CCC[C@@H](OCC(=O)NNC(=O)CO)C1 777782759 MOFZJAJTEIPXFN-RKDXNWHRSA-N 244.291 -0.279 50 20 BBGD CCO[C@@H]1CC(=NNC(=O)C(N)=O)[C@H]1SC 807944716 MWYJIYPKPDXKGK-RNFRBKRXSA-N 245.304 -0.516 50 20 BBGD CN1CC[C@H]1CNC(=O)NNc1ncccn1 925400683 SFEWKKFIXGQOKQ-QMMMGPOBSA-N 236.279 -0.193 50 20 BBGD CNC(=O)NNC(=O)COC(F)(F)F 930586079 LZMRHJSCUPTEEX-UHFFFAOYSA-N 215.131 -0.517 50 20 BBGD C=CC[C@@H](CC)NC(=O)NNC(=O)C(=O)OC 1116911748 VWKGPSOSHJTEEH-SSDOTTSWSA-N 243.263 -0.156 50 20 BBGD CC1(C)CCN(CCNC(=O)NN)C1 1120578701 HFKQPJNGWJCYDL-UHFFFAOYSA-N 200.286 -0.109 50 20 BBGD O=C(C[C@@H]1CC(=O)N1)NNc1ccnc(F)c1 1328272130 JNONDGOFPMSEGG-ZETCQYMHSA-N 238.222 -0.058 50 20 BBGD COCCCCC(=O)N1CC[C@@H](B(O)O)C1 1329292047 HJUADEMDWVUELL-SECBINFHSA-N 229.085 -0.122 50 20 BBGD COC(=O)C(C)(C)n1cc(NC(=O)NN)cn1 1329805947 HLBIAORNINXPQJ-UHFFFAOYSA-N 241.251 -0.214 50 20 BBGD C#CC(=O)NNc1ccc(-n2ccnc2)nn1 1335017540 LJRZTCPSPUCGGU-UHFFFAOYSA-N 228.215 -0.261 50 20 BBGD CC#CC[C@H](N)C(=O)NNC(=O)c1ccccn1 1574972594 NQVREJAILFUQGJ-VIFPVBQESA-N 246.270 -0.417 50 20 BBGD O=C(NNC(=O)[C@H]1[C@H]2CCNC[C@H]21)c1cn[nH]c1 1580735885 GPDINPFYPHOZKF-YIZRAAEISA-N 249.274 -0.974 50 20 BBGD COCC(=O)NN[C@H](C(=O)O)C1CC1 1610242211 UJLXLXRGRKNIDU-ZETCQYMHSA-N 202.210 -0.883 50 20 BBGD CCCCNC(=O)NNC(=O)CNC(=O)OC 49143516 IPLMIKPTLGPOHK-UHFFFAOYSA-N 246.267 -0.527 50 20 BBGD CN(CC(=O)NNC(=O)C1CC1)[C@H]1CCOC1 112981495 WLERNDWFYZEFMS-VIFPVBQESA-N 241.291 -0.736 50 20 BBGD CC(C)c1cc(C(=O)NNC(=O)CO)n[nH]1 180962619 QGGRNEDFAADSQA-UHFFFAOYSA-N 226.236 -0.714 50 20 BBGD CN1CCN(C(=O)CCNC(=O)CCl)CC1 259098809 ZRNCPJSYOGRAPV-UHFFFAOYSA-N 247.726 -0.495 50 20 BBGD C[C@@H](NCc1cccc(B(O)O)c1)[C@H]1CCOC1 585026209 DCXHKVKTFDOKGB-PWSUYJOCSA-N 249.119 -0.119 50 20 BBGD CC1(S(=O)(=O)N2CC[C@H](B(O)O)C2)CC1 585056909 YXLYHAZXRJMMMD-ZETCQYMHSA-N 233.098 -0.583 50 20 BBGD O=C(NCB(O)O)[C@@H]1CCc2ccccc21 585063137 ZJWXVXOASPXGHS-SNVBAGLBSA-N 219.049 -0.155 50 20 BBGD O=C(NN=C1CCOC1)[C@@H]1CCS(=O)(=O)C1 731925887 ATVOHDVMUQNGIN-SSDOTTSWSA-N 246.288 -0.686 50 20 BBGD CC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cn1 735481185 GAXOZDBLTRZPKE-UHFFFAOYSA-N 247.218 -0.957 50 20 BBGD CN(C)C(=O)NNC(=O)C1(N(C)C)CCC1 763027748 AAKXMKLHWXETSP-UHFFFAOYSA-N 228.296 -0.227 50 20 BBGD CNC(=O)NNC(=O)[C@@]1(C)CCCOC1 781304715 DDKMXNVJYNTFLS-VIFPVBQESA-N 215.253 -0.237 50 20 BBGD Cc1ccc2nc(C=NNC(=O)C(N)=O)cn2c1 788949788 AQXHZMDTOOKJPA-UHFFFAOYSA-N 245.242 -0.422 50 20 BBGD CC(C)[C@H](O)C(=O)NNC(=O)N1CCOCC1 813427764 MQUBBOJZHPREGG-QMMMGPOBSA-N 245.279 -0.924 50 20 BBGD Cn1cccc(NC(=O)NNC(=O)O)c1=O 833056746 YJBLITYHJDXWMG-UHFFFAOYSA-N 226.192 -0.311 50 20 BBGD CCO/C=C(/C#N)C(=O)NCC(=O)NOCC 846494111 MNWLGURPNGCYPP-FPLPWBNLSA-N 241.247 -0.386 50 20 BBGD CNC(=S)N(C)NC(=O)Cn1ccc(C)n1 854921145 JMOIUSZCONWCJG-UHFFFAOYSA-N 241.320 -0.341 50 20 BBGD O=C(NNC(=O)[C@@H]1[C@@H]2CCC(=O)[C@H]21)NC1CC1 906417857 WZBLDMNEGLMONA-BWVDBABLSA-N 237.259 -0.296 50 20 BBGD CCNC(=O)NNC(=O)c1ncoc1C 1251498287 PNNXNXRAVAWFSN-UHFFFAOYSA-N 212.209 -0.053 50 20 BBGD COCCC(=O)NNC(=O)Cc1cc[nH]n1 1320230811 QTYPLAMIXSKZRG-UHFFFAOYSA-N 226.236 -0.864 50 20 BBGD CC(C)C(=O)NNC(=O)NOC[C@@H]1CCOC1 1320650398 KEPQFYOVNCBAHZ-MRVPVSSYSA-N 245.279 -0.059 50 20 BBGD CN(NC(=O)c1cnn(CCF)c1)C(N)=O 1323291293 JXBDEDBQAJGMIG-UHFFFAOYSA-N 229.215 -0.492 50 20 BBGD Cc1nnsc1C=NNC(=O)CCO 1324163504 MPRMVWXVLFTTKO-UHFFFAOYSA-N 214.250 -0.321 50 20 BBGD CN(NC(=O)[C@@H]1CCc2c[nH]nc2C1)C(N)=O 1324777049 SYHXEQMJLNBPPD-ZCFIWIBFSA-N 237.263 -0.444 50 20 BBGD O=C(C[C@@H]1CC(=O)N1)NNc1ccccn1 1334375102 YFPDGZSOXNZVKA-ZETCQYMHSA-N 220.232 -0.197 50 20 BBGD CC(C)(C)NCC(=O)NNC(=O)c1cc[nH]n1 1334528187 SDDCVROQKBRVMJ-UHFFFAOYSA-N 239.279 -0.441 50 20 BBGD CC(=O)NCC(=O)NNC(=O)CC(F)(F)F 1337829750 ZAKAYUJGVHUOIQ-UHFFFAOYSA-N 241.169 -0.778 50 20 BBGD CCCn1cc(C(=O)NNC(=O)N(C)C)nn1 1341442301 XRZNXCPYHCDNOO-UHFFFAOYSA-N 240.267 -0.396 50 20 BBGD CC(=O)NNC(=O)CCCCc1cnn[nH]1 1344041733 UIJBBUNOPZDEAR-UHFFFAOYSA-N 225.252 -0.315 50 20 BBGD C[C@@H](O)CN(C)NC(=O)c1cnn2ccncc12 1354057493 JMKRJNAESAQYMB-MRVPVSSYSA-N 249.274 -0.313 50 20 BBGD O=C(O)c1cc(C(=O)NNc2ccncn2)[nH]n1 1574578414 GYVYFBSYQNLPKC-UHFFFAOYSA-N 248.202 -0.345 50 20 BBGD C[C@](O)(C(=O)NNC(=O)[C@H]1CCN1)C1CCC1 1576252900 UXLWHUMXRVDBKO-LDYMZIIASA-N 241.291 -0.953 50 20 BBGD CC(C)SCCNC(=O)NNC(=O)C(=O)O 1603960543 BOIWJFAZQZRLOM-UHFFFAOYSA-N 249.292 -0.457 50 20 BBGD CC[C@@H](C(=O)O)C(=O)NNc1nc[nH]n1 1604878235 LJPMMGWEADCRMI-SCSAIBSYSA-N 213.197 -0.641 50 20 BBGD NC(=O)[C@H]1CCCN1C(=O)NC(=O)CCl 36906242 ILUZSDTUZAYLCW-RXMQYKEDSA-N 233.655 -0.589 50 20 BBGD O=C(NNC(=O)[C@@H]1CCCO1)c1cc[nH]c1 109255295 KFOGKZBNHNASRJ-QMMMGPOBSA-N 223.232 -0.045 50 20 BBGD CN(NC(=O)COCC1CC1)C(N)=O 182643504 FYWVECVOUKACSB-UHFFFAOYSA-N 201.226 -0.545 50 20 BBGD C#CC(=O)NNc1cc(Cl)nc(N)n1 306279126 YEMDZUXWZUEAIR-UHFFFAOYSA-N 211.612 -0.212 50 20 BBGD CC(C)[C@@](C)(O)CNCc1ccc(B(O)O)o1 585030203 XVKLCMXVBWNGED-NSHDSACASA-N 241.096 -0.544 50 20 BBGD COC[C@H]1CC[C@H]1NCc1ccc(B(O)O)o1 585043538 QSHIDSDPISOJND-PSASIEDQSA-N 239.080 -0.526 50 20 BBGD C[C@@H]1CN(CC(=O)NNC(=O)C2CC2)CCO1 733193142 FHNHHAHULHRXAK-MRVPVSSYSA-N 241.291 -0.736 50 20 BBGD COCCO[C@@H](C)C(=O)NN=C1CCOC1 748259227 HCQKJWJAQGCGOL-QMMMGPOBSA-N 230.264 -0.070 50 20 BBGD COCCN(C)NC(=O)CCCC(=O)N(C)C 819745339 YFRXRDMPVXJYTO-UHFFFAOYSA-N 245.323 -0.146 50 20 BBGD CCN(CCO)NC(=O)[C@@H](O)c1cccnc1 823869300 HMOHMVYCXUYULB-JTQLQIEISA-N 239.275 -0.540 50 20 BBGD CC(=O)NNC(=O)c1cnc2n1CCC2 854155269 IVKVVXFOAOCGRL-UHFFFAOYSA-N 208.221 -0.390 50 20 BBGD C[C@H](NC(=S)NNC(=O)CN(C)C)C1CC1 855101341 VCQLYUKFDLUYJN-ZETCQYMHSA-N 244.364 -0.158 50 20 BBGD O=C(NNc1ncccc1F)[C@@]1(O)CCOC1 857504468 ZDKFBJJOENKORH-SNVBAGLBSA-N 241.222 -0.185 50 20 BBGD CCNC(=O)NNC(=O)[C@@H](C)N(C)C 874193861 QCWYDUTZOHGWEI-ZCFIWIBFSA-N 202.258 -0.713 50 20 BBGD CN(NC(=O)[C@@H]1CCCN1C(N)=O)C1CC1 1118095475 AJGPRFJFOAFOJT-QMMMGPOBSA-N 226.280 -0.345 50 20 BBGD C[C@H](CO)N(C)NC(=O)C1=CCOCC1 1261911080 RYTWOZPADXVCDC-MRVPVSSYSA-N 214.265 -0.323 50 20 BBGD C#C[C@H](CC)NC(=O)NNC(=O)c1cccnn1 1333162178 XRPQZFZODXTNJF-MRVPVSSYSA-N 247.258 -0.168 50 20 BBGD CC[C@H](CN1CCOCC1)NC(=O)NN 1346569401 IRFMPOMIQBQJMX-MRVPVSSYSA-N 216.285 -0.730 50 20 BBGD O=C(NN=c1cc[nH]cc1F)[C@@H]1NC[C@@H]2C[C@@H]21 1580739250 APELJLWEPJEEIP-MHYGZLNHSA-N 236.250 -0.306 50 20 BBGD NC(=S)NNC(=O)NC[C@@H]1CCCO1 42868039 NNZGZHRLWJICIM-YFKPBYRVSA-N 218.282 -0.787 50 20 BBGD COCC(=O)NNC(=O)NC1CCCC1 49431064 QTCVWPCKWYNMFS-UHFFFAOYSA-N 215.253 -0.094 50 20 BBGD CN(CC(N)=O)S(=O)(=O)CBr 127013622 MLGFKXXTJNRKFH-UHFFFAOYSA-N 245.098 -0.914 50 20 BBGD C[C@@H]1C(=NNC(=O)CO)CC[C@H]1CC(=O)O 378675343 OHLLKJIQJTXFSR-BQBZGAKWSA-N 228.248 -0.028 50 20 BBGD C[C@H]1C[C@H](C(=O)O)CCC1=NNC(=O)CO 382033818 VDVVENOWIDNSCA-NKWVEPMBSA-N 228.248 -0.028 50 20 BBGD CN(C)C(=O)OCCNS(=O)(=O)CCl 689055736 SNVZKWGUUGCZLU-UHFFFAOYSA-N 244.700 -0.200 50 20 BBGD CN1CC[C@@H](C(=O)NNc2cccnn2)CC1=O 736698856 SXXKSJZTPTXGAC-MRVPVSSYSA-N 249.274 -0.212 50 20 BBGD CC(C)C=NNC(=O)[C@H](C)NS(C)(=O)=O 755700106 VZIQBVQUCTYKLZ-ZETCQYMHSA-N 235.309 -0.318 50 20 BBGD CC(=O)NNS(=O)(=O)N1CCCCC1 765990655 UZZAEHZUZDYKMW-UHFFFAOYSA-N 221.282 -0.642 50 20 BBGD COCCOCC(C)=NNC(=O)C(C)(C)O 785460155 GXYFPJUNDVBDDK-UHFFFAOYSA-N 232.280 -0.088 50 20 BBGD CCNC(=O)NNC(=O)CC(C)(C)O 792086045 RVHMUUNYCYYTPJ-UHFFFAOYSA-N 203.242 -0.502 50 20 BBGD O=C(N=c1cc[nH]cc1)NNC(=O)C(F)F 802025393 DOQAWYZBGBFSCI-UHFFFAOYSA-N 230.174 -0.079 50 20 BBGD CC(C)(O)C(=O)NN=C1CCN(CCO)CC1 819809715 MFYIMQRBNYHGQU-UHFFFAOYSA-N 243.307 -0.682 50 20 BBGD COc1cc(C(=O)NN(C)[C@@H](C)CO)ncn1 823384963 YMTAULGYQNPYHU-ZETCQYMHSA-N 240.263 -0.557 50 20 BBGD CC[C@@H](C(=O)NN(CC)CCO)N(C)C 823865108 JBUCUUSAULGKMD-VIFPVBQESA-N 217.313 -0.328 50 20 BBGD Cc1cc(CC(=O)NN(C)[C@@H](C)CO)no1 823959684 NVKFFMIFTQRXCL-ZETCQYMHSA-N 227.264 -0.131 50 20 BBGD COCCCC(=O)NN(C)[C@@H](C)CO 823971636 XMCDWIMLTXMYDL-QMMMGPOBSA-N 204.270 -0.243 50 20 BBGD Cc1c(C(=O)NN(C)[C@@H](C)CO)cnn1C 823977022 MNDVEYPIJNFIMI-ZETCQYMHSA-N 226.280 -0.314 50 20 BBGD CC[C@H]1CCC[C@@H]1C(=O)NNC(=O)CO 827893315 AXPCYZJBUHTPKO-YUMQZZPRSA-N 214.265 -0.048 50 20 BBGD C#CCNC(=S)NNC(=O)[C@@H]1CCO[C@@H]1C 843277809 UHLUXKUVIYSBFM-HTQZYQBOSA-N 241.316 -0.460 50 20 BBGD CCOCCC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 843652368 SFCPBOVHINNPBR-RKDXNWHRSA-N 244.291 -0.015 50 20 BBGD CC(C)C(=O)NNC(=O)[C@H]1CC[C@@H]1C(N)=O 847290186 VMNLSKQMEAEJDY-BQBZGAKWSA-N 227.264 -0.699 50 20 BBGD COC(=O)COCC(=O)NNc1ccncn1 854748273 YZFONPAOVBHRDN-UHFFFAOYSA-N 240.219 -0.891 50 20 BBGD CO[C@@H](C(=O)NNc1cnnn1C)C(C)C 857274078 YYRXDQBRVNBQIR-MRVPVSSYSA-N 227.268 -0.071 50 20 BBGD Cc1cc(=NNC(=O)Cc2n[nH]c(C)n2)cc[nH]1 862515380 SHOBXSAELNHTCU-UHFFFAOYSA-N 246.274 -0.076 50 20 BBGD Cc1cc(CNCc2ccc(B(O)O)cc2)n[nH]1 877057894 REEDGGDGFGKJTQ-UHFFFAOYSA-N 245.091 -0.312 50 20 BBGD OB(O)c1cccc(CNCC[C@H](O)C2CC2)c1 898192789 IWEOQUIHXWHRSI-ZDUSSCGKSA-N 249.119 -0.383 50 20 BBGD C[C@H](O)CN(C)NC(=O)[C@@H]1CC1(F)F 910145415 SICJARCBRMNDMT-WDSKDSINSA-N 208.208 -0.015 50 20 BBGD C[C@H](O)CN(C)NC(=O)CCCC(=O)N(C)C 910167810 MUPMJBGLLYSMRL-VIFPVBQESA-N 245.323 -0.411 50 20 BBGD CC[C@@H](F)C(=O)NNC(=O)C(C)(C)O 1262619830 KSRQRRZZUYBMLI-RXMQYKEDSA-N 206.217 -0.347 50 20 BBGD Cc1cnc(C(=O)NNC(=O)N(C)C)cn1 1318075741 HDVYNPUBUHFJFX-UHFFFAOYSA-N 223.236 -0.299 50 20 BBGD N#Cc1ccc(C=NNC(=O)C(N)=O)s1 1319365265 PNYVWFQEBCFCRP-UHFFFAOYSA-N 222.229 -0.445 50 20 BBGD C[C@@H](C(=O)NNc1cccnn1)n1cncn1 1320052888 FCXQRTXHUSPXQH-ZETCQYMHSA-N 233.235 -0.228 50 20 BBGD C#CCNC(=S)NNC(=O)N=c1cc[nH]cc1 1321104612 BLNTZKGNQQZHEB-UHFFFAOYSA-N 249.299 -0.363 50 20 BBGD N#C[C@@H]1CCCC(=NNC(=O)C(N)=O)C1 1327798335 UQVRIAUQUFZJBY-ZCFIWIBFSA-N 208.221 -0.342 50 20 BBGD CC(C)NC(=S)NNC(=O)[C@@H]1C[C@@H]1C(N)=O 1334746557 JKSSRXLEBHOVDW-NTSWFWBYSA-N 244.320 -0.989 50 20 BBGD C[C@H](C(=O)NNc1ccn(C)n1)S(C)(=O)=O 1339452947 IUQBHLHWTPLTCP-ZCFIWIBFSA-N 246.292 -0.704 50 20 BBGD CCCONC(=O)NNC(=O)c1ncccn1 1345767352 OSCNMGMBKVYHSJ-UHFFFAOYSA-N 239.235 -0.238 50 20 BBGD CC(C)C(=O)NNC(=O)C[C@@H]1CCC(=O)N1 1350525370 PCCCBTZFBXCHSE-ZETCQYMHSA-N 227.264 -0.542 50 20 BBGD N#CC(C#N)=CNCCn1cc(C(=O)O)nn1 1601045391 CDVFAWLGNWXOSO-UHFFFAOYSA-N 232.203 -0.503 50 20 BBGD NNC(=O)CNC(=O)Nc1ccccc1 36962885 KLNDBGQDHYTYEN-UHFFFAOYSA-N 208.221 -0.202 50 20 BBGD CCCC(=O)NNC(=O)C(=O)NC1CC1 49535994 DNVHSMXBNBNDAL-UHFFFAOYSA-N 213.237 -0.788 50 20 BBGD CNC(=O)NNC(=O)Cc1c(C)noc1C 56375174 GDQCDUDZZIXWBO-UHFFFAOYSA-N 226.236 -0.206 50 20 BBGD CC(=O)NNC(=O)Cn1ccccc1=O 96547296 PKIUOGYEWVRYOP-UHFFFAOYSA-N 209.205 -0.984 50 20 BBGD O=C(CO)NNC(=O)c1ccnc2ccccc12 182760254 GLLFWFPQMQZCHN-UHFFFAOYSA-N 245.238 -0.012 50 20 BBGD CC[C@@](C)(OC)C(=O)NNC(=O)NC 280931532 YGOZQRCXQDMKJN-MRVPVSSYSA-N 203.242 -0.238 50 20 BBGD CC#CC(=O)NNC(=O)N1CCOCC1 283335622 ORYRUDULCGANLX-UHFFFAOYSA-N 211.221 -0.917 50 20 BBGD COC(=O)N(C)NC(=O)Cc1cncn1C 495694257 ZDTSQBCRQQCNHV-UHFFFAOYSA-N 226.236 -0.308 50 20 BBGD Cc1ccccc1OCC(=O)NCB(O)O 585057074 JZFHUQWCERIHSH-UHFFFAOYSA-N 223.037 -0.498 50 20 BBGD Cc1nnc2c(N3CC[C@H](B(O)O)C3)nccn12 585074415 YMMHYFQWCFGVLW-QMMMGPOBSA-N 247.067 -0.514 50 20 BBGD O=C(Cc1cc[nH]n1)NNC(=O)C1CCC1 730091814 XTLGSIXQZPNVHD-UHFFFAOYSA-N 222.248 -0.100 50 20 BBGD C[C@@H](C(=O)NNC(=O)CN(C)C)C(F)(F)F 743333111 JSMVDPJVBBOZTA-YFKPBYRVSA-N 241.213 -0.106 50 20 BBGD CC(=O)c1ccc(C(=O)NNC(=O)CO)s1 753444901 CESHTQPLCSOXBV-UHFFFAOYSA-N 242.256 -0.296 50 20 BBGD N#Cc1ccc(NCC(=O)NNC(=O)CO)cc1 753445340 YHEIBFUQWRWGPO-UHFFFAOYSA-N 248.242 -0.890 50 20 BBGD CO[C@H](C(=O)NNC(=O)N(C)C)C(C)C 771288413 QPQLCHLHYVSACM-ZETCQYMHSA-N 217.269 -0.040 50 20 BBGD COc1cccc(NNC(=O)C2=NNC(=O)C2)n1 780769858 WFCXDQRTTCEING-UHFFFAOYSA-N 249.230 -0.591 50 20 BBGD CCNC(=O)CC(=O)NNC(=O)C(C)(C)C 780893469 XPBPHBAZNZFQCU-UHFFFAOYSA-N 229.280 -0.294 50 20 BBGD Cc1cc(C(=O)NNC(=O)CO)ccn1 790919167 JPUATBXGLBSPIN-UHFFFAOYSA-N 209.205 -0.857 50 20 BBGD CC[C@@H](C)[C@@H](OC)C(=O)NNC(=O)CO 795240028 XGMHLYPGQGFXLT-HTRCEHHLSA-N 218.253 -0.813 50 20 BBGD O=C(NN=c1cc[nH]cc1)[C@H](O)C1CC1 831867392 BYTSOWAHEBFWFA-SECBINFHSA-N 207.233 -0.283 50 20 BBGD O=C(NNC(=O)[C@H]1CCSC1)c1ncon1 832825774 HALAVKGDTJRVJK-YFKPBYRVSA-N 242.260 -0.416 50 20 BBGD Cc1cc(C(=O)NNC(=O)C#CC2CC2)n[nH]1 837503330 VUVTXHJRMSHJFQ-UHFFFAOYSA-N 232.243 -0.107 50 20 BBGD CCNC(=O)N(C)NC(=O)C12CCN(CC1)C2 907253981 ZZLWDCYONXMZID-UHFFFAOYSA-N 240.307 -0.225 50 20 BBGD CCNC(=O)NNC(=O)c1n[nH]c2c1CCC2 920858118 QOYJRYLRMJJFMQ-UHFFFAOYSA-N 237.263 -0.138 50 20 BBGD O=C(NNC(=O)[C@H]1C[C@H]1F)NC1CC1 1263712395 CGMLHHXLACKWHH-NTSWFWBYSA-N 201.201 -0.163 50 20 BBGD COCc1cc(C=NNC(=O)CCO)no1 1323517290 GPFYGBZAVVJTAG-UHFFFAOYSA-N 227.220 -0.347 50 20 BBGD CC(=NNC(=O)C(N)=O)c1cc(O)cc(O)c1 1324381721 MZQSRWOFAOPLRJ-UHFFFAOYSA-N 237.215 -0.577 50 20 BBGD CNC(=S)N(C)NC(=O)c1ccnnc1 1330862596 MEWDIMSPOBNTGQ-UHFFFAOYSA-N 225.277 -0.443 50 20 BBGD COC(=O)N(C)NC(=O)NCC1(N)CCC1 1578822678 IQOHMQYWXRYGMK-UHFFFAOYSA-N 230.268 -0.220 50 20 BBGD CC(=O)N[C@H](C)C(=O)NNC(=O)C(C)(C)C 77219190 GZAKCEWRAWUBEO-ZCFIWIBFSA-N 229.280 -0.296 50 20 BBGD CN(NC(=O)C[C@@H]1CCCO1)C(N)=O 182654026 LHISFNRLBOJZCG-LURJTMIESA-N 201.226 -0.403 50 20 BBGD COC(=O)NN=C1CCCS(=O)(=O)C1 491319762 MRPXFMNXOLEIDD-UHFFFAOYSA-N 220.250 -0.093 50 20 BBGD CN(C)CC(=O)NN=Cc1ccnn1C 727647843 KMNLAZOZILZRQC-UHFFFAOYSA-N 209.253 -0.568 50 20 BBGD CCCNC(=O)NNC(=O)CCn1ccnn1 732062236 IMCVUVBNBZZYNF-UHFFFAOYSA-N 240.267 -0.591 50 20 BBGD CC[C@H](OC)C(=O)NNc1nnc(C)c(O)n1 744313327 CVXQDAVDPYXISS-LURJTMIESA-N 241.251 -0.246 50 20 BBGD CCNC(=O)NNC(=O)C(=O)C(C)(C)C 746166849 IFMSNAZCRQMFHY-UHFFFAOYSA-N 215.253 -0.048 50 20 BBGD CC(=NNC(=O)C(N)=O)c1sccc1O 769762193 GGUDGXMNJHTMSZ-UHFFFAOYSA-N 227.245 -0.221 50 20 BBGD CN(NC(=O)c1ccc(N(C)C)nc1)C(N)=O 778419025 YXFGJBMXZLKYFA-UHFFFAOYSA-N 237.263 -0.197 50 20 BBGD CC(=O)NC(C)(C)C(=O)NNC(=O)CC1CC1 819117908 IYUNCFVLMQQSNF-UHFFFAOYSA-N 241.291 -0.151 50 20 BBGD C[C@@H](CO)N(C)NC(=O)c1ccc(C#N)cn1 823960230 XWOSDYHWUPSSDA-QMMMGPOBSA-N 234.259 -0.089 50 20 BBGD NC(=O)c1ccc(C(=O)NNC(=O)C2CC2)[nH]1 856728535 BTBUUJJQVIKWAF-UHFFFAOYSA-N 236.231 -0.715 50 20 BBGD CCOCCC=NNC(=O)[C@H]1CCC(=O)N1 863150926 AJMAGYMNRDXJMV-MRVPVSSYSA-N 227.264 -0.206 50 20 BBGD OB(O)c1ccccc1CNCC(F)F 863890544 YJCMLPUCUMFFEX-UHFFFAOYSA-N 215.008 -0.279 50 20 BBGD OB(O)c1ccc(CNCCN2CCCC2)cc1 877142527 RJDYWFXWKMAKAL-UHFFFAOYSA-N 248.135 -0.448 50 20 BBGD C#CCCCC(=O)NNC(=O)CC(=O)NCC 887146534 BDDHCWJODHPIQS-UHFFFAOYSA-N 239.275 -0.537 50 20 BBGD NC(=O)[C@@H]1C[C@@H]1C(=O)NNc1ccccn1 901338432 GSNNPFLZAQVEKL-RQJHMYQMSA-N 220.232 -0.354 50 20 BBGD C=CCOCC(=O)NN(C)C[C@H](C)O 910165845 OPMDNRIFDJUEST-QMMMGPOBSA-N 202.254 -0.467 50 20 BBGD CCC(=O)NNC(=O)[C@H](C)N[C@H]1COC[C@H]1C 932486458 DMPCGCWVPWJLDU-VGMNWLOBSA-N 243.307 -0.443 50 20 BBGD COCCC(=O)N1CC[C@H](B(O)O)C1 1118976433 WYKXTRSOQHYNIJ-ZETCQYMHSA-N 201.031 -0.902 50 20 BBGD O=C(NNC(=O)N1CC(F)C1)c1cccnn1 1119349991 PPHPLUQIVHDLDT-UHFFFAOYSA-N 239.210 -0.515 50 20 BBGD CC(C)NC(=O)C(=O)NNC(=O)CCCC#N 1324061497 NBFSMZYEOURVPW-UHFFFAOYSA-N 240.263 -0.648 50 20 BBGD COC(=O)[C@H]1C[C@@H](C(=O)NNC(=O)N(C)C)C1 1335760351 XUAIXQLZODUBJU-KNVOCYPGSA-N 243.263 -0.512 50 20 BBGD CO[C@@H]1CCC[C@H]1C(=O)NNC(=O)C(C)(C)O 1338960874 RWJZXBCTBVAXAN-HTQZYQBOSA-N 244.291 -0.280 50 20 BBGD CC(C)(CNC(N)=O)NC(=O)CCl 1353990560 SOBVNZDHDHZHRS-UHFFFAOYSA-N 207.661 -0.212 50 20 BBGD C[C@@H](C(=O)O)C(=O)NNC(=O)c1cccn1C 1602805494 XIAUJELXVWRIDH-ZCFIWIBFSA-N 239.231 -0.493 50 20 BBGD Cc1cnn(Cc2ccc(B(O)O)cc2)c1 203174044 KICNSUMQHXEYDH-UHFFFAOYSA-N 216.049 -0.080 50 20 BBGD CC1(C(=O)NNC(=O)c2ccc[nH]2)COC1 272806190 IMNGJZCBGRIBJB-UHFFFAOYSA-N 223.232 -0.188 50 20 BBGD CSCCNC(=S)NNC(N)=O 308139596 GOPHAWULGKAFDT-UHFFFAOYSA-N 208.312 -0.603 50 20 BBGD CCOC(=O)NNC(=O)Cc1cncn1C 495565761 NEPUBMMXLDXVDF-UHFFFAOYSA-N 226.236 -0.260 50 20 BBGD C[C@@H]1COCCN1C(=O)c1ccc(B(O)O)cc1 584931429 VDJQTSKRJHEAKV-SECBINFHSA-N 249.075 -0.773 50 20 BBGD CC[C@@H](O)CCNCc1ccccc1B(O)O 585028330 ITTWHSCFUPLBHK-LLVKDONJSA-N 237.108 -0.383 50 20 BBGD OB(O)c1ccc(CNC[C@@H]2CC[C@@H](O)C2)cc1 585037613 DPPSTAOVVQNLPZ-DGCLKSJQSA-N 249.119 -0.383 50 20 BBGD CCO[C@H]1C[C@@H]1NCc1ccc(B(O)O)cc1 585039889 ZKEPJHMXVUTTOO-RYUDHWBXSA-N 235.092 -0.367 50 20 BBGD Cc1cc(S(=O)(=O)NCB(O)O)ccc1F 585054813 RMHJILGQXZNXPT-UHFFFAOYSA-N 247.056 -0.576 50 20 BBGD CN(C)CC(=O)NN=C1CCS(=O)CC1 761811360 ZTGKFNRPTYZURT-UHFFFAOYSA-N 231.321 -0.437 50 20 BBGD O=C(NNc1ncccn1)[C@H](O)C1CC1 820935830 XZLWIBLIDRCSNF-SSDOTTSWSA-N 208.221 -0.309 50 20 BBGD COC1CC(C(=O)NN(C)[C@H](C)CO)C1 823907866 QLABCAKDCBPBQC-AFPNSQJFSA-N 216.281 -0.245 50 20 BBGD C/C=C/C=C/C(=O)NNC(=O)CS(C)(=O)=O 863458341 YZFPQBLRXWQMTO-VNKDHWASSA-N 246.288 -0.689 50 20 BBGD COCCOCC(=O)NNC(=O)C#CC(C)C 869904848 CUUUMPNOWLWFFP-UHFFFAOYSA-N 242.275 -0.544 50 20 BBGD COCCOCC(=O)NNC(=O)C1(C)CC1 869908746 WDNOLVXJUDKMNB-UHFFFAOYSA-N 230.264 -0.403 50 20 BBGD C/C=C(/C)C(=O)NNC(=O)COCCOC 869909662 FDNOMQPGRCRZEN-YWEYNIOJSA-N 230.264 -0.237 50 20 BBGD C#CCSCC(=O)NN(C)[C@@H](C)CO 911444787 JWXHEQJDAURZAJ-QMMMGPOBSA-N 216.306 -0.303 50 20 BBGD CNC(=O)NNS(=O)(=O)c1cncc(F)c1 1318087286 OLUHOZQISYRXTA-UHFFFAOYSA-N 248.239 -0.657 50 20 BBGD COC(=O)C(=O)NN=C(C)c1cc(OC)no1 1326233690 AUOSZOKNWNNVLC-UHFFFAOYSA-N 241.203 -0.304 50 20 BBGD Cn1ncc(C2CC2)c1C=NNC(=O)CO 1328010091 NBDMABDTCHDMJG-UHFFFAOYSA-N 222.248 -0.260 50 20 BBGD C[C@@H](C(=O)N1CC[C@@H](B(O)O)C1)n1ccnc1 1331894198 AUKCTIFWBGUBSW-DTWKUNHWSA-N 237.068 -0.481 50 20 BBGD COC[C@H](OC)C(=O)NNc1cccnn1 1347750829 KFVYPVQDDUMRFF-ZETCQYMHSA-N 226.236 -0.419 50 20 BBGD COCC[C@H](N)C(=O)NN[C@@H](C)C(F)(F)F 1573978407 RZBJRYCKYYOGOY-WDSKDSINSA-N 243.229 -0.078 50 20 BBGD CS[C@@H](C)CC(=O)NNC(=O)CN(C)C 124364810 VFWVNCWAWPVNRZ-ZETCQYMHSA-N 233.337 -0.163 50 20 BBGD C[C@@H](CO)NS(=O)(=O)CBr 127372485 JKOJOFAPPNWYEN-BYPYZUCNSA-N 232.099 -0.361 50 20 BBGD CC(C)NC(=O)C(=O)NNC(=O)[C@H]1CC1(C)C 152158983 MDCCNGMOWBHTET-SSDOTTSWSA-N 241.291 -0.296 50 20 BBGD O=C(CO)NNC(=O)c1cc(F)ccc1F 180950462 OBONIXQTEFYYCJ-UHFFFAOYSA-N 230.170 -0.282 50 20 BBGD Cc1ccc(C(=O)NNC(=O)CO)cc1F 180958902 OLCBLJLIINIOBB-UHFFFAOYSA-N 226.207 -0.113 50 20 BBGD COC(=O)NCCCC(=O)NN(C)C(N)=O 494474081 XGMMADXKLIOYSX-UHFFFAOYSA-N 232.240 -0.836 50 20 BBGD O=C(NCB(O)O)c1ccc([N+](=O)[O-])cc1 585056962 FAXDPRFMKUNLGS-UHFFFAOYSA-N 223.981 -0.663 50 20 BBGD C#CC[C@@H](CO)NS(=O)(=O)CCCCl 717769535 HUZHQEYCKGAXJM-QMMMGPOBSA-N 239.724 -0.081 50 20 BBGD C[C@H]1C[C@@H](C(=O)NNC(=O)C(C)(C)O)CO1 768259762 PFEOSAIQTZXIHQ-NKWVEPMBSA-N 230.264 -0.670 50 20 BBGD O=C(NNC(=O)C1CC1)c1c[nH]nc1[N+](=O)[O-] 788262408 DGPMHWDZNIIWPY-UHFFFAOYSA-N 239.191 -0.511 50 20 BBGD CC(=O)NNC(=O)c1cnccc1C#N 805158262 VAZYQBRJIANOQZ-UHFFFAOYSA-N 204.189 -0.266 50 20 BBGD CNC(=S)N(C)NC(=O)[C@H]1CCOC1 822547800 QFKPQVWSALIAQH-LURJTMIESA-N 217.294 -0.510 50 20 BBGD O=C(C[C@H]1CCC(=O)N1)NN=c1cc[nH]cc1 831867826 JYHSEHAHTKCMSE-SECBINFHSA-N 234.259 -0.385 50 20 BBGD C=Cn1cc(C=NNC(=O)[C@@H]2CCC(=O)N2)cn1 863153112 MUWOVMYPZHAILP-VIFPVBQESA-N 247.258 -0.288 50 20 BBGD O=C(OC[C@H]1CCCO1)N1CC[C@@H](B(O)O)C1 864232107 LFNOKDSJRJYTKE-RKDXNWHRSA-N 243.068 -0.149 50 20 BBGD O=S(=O)(CBr)N[C@H]1C[C@@H](O)C1 867375019 UCCCJKACPUQPLZ-SYDPRGILSA-N 244.110 -0.219 50 20 BBGD CC(C)C(=O)NNC(=O)c1c[nH]c(C(N)=O)c1 917917420 LKZJRQBAOFTRQX-UHFFFAOYSA-N 238.247 -0.469 50 20 BBGD Cc1cc(C=NNC(=O)[C@H]2CCC(=O)N2)nn1C 1118949471 QCEOTCGLPOUFPV-SECBINFHSA-N 249.274 -0.543 50 20 BBGD CC[C@H](F)C(=O)NNC(=O)N1CCN(C)CC1 1120647550 GNMNKDFDJXHTQY-QMMMGPOBSA-N 246.286 -0.277 50 20 BBGD O=C1CC[C@H](C(=O)NNC(=O)c2ccnnc2)C1 1328569535 VAEXGELKQLALJB-ZETCQYMHSA-N 248.242 -0.393 50 20 BBGD COCCN(C)NC(=O)CO[C@@H]1CCOC1 1349826466 RAIMWNJFPVANCC-SECBINFHSA-N 232.280 -0.599 50 20 BBGD CCNC(=O)NNC(=O)CCCCO 1351756202 JVNDVSGLJXJQEJ-UHFFFAOYSA-N 203.242 -0.501 50 20 BBGD Cn1cc(/C=C(/C#N)C(=O)NC2(C)CNC2)cn1 1579958800 JDMZZMYERHTGSD-KMKOMSMNSA-N 245.286 -0.195 50 20 BBGD NNC(=O)c1ccc2c(c1)OCC(=O)N2 37388171 AQDZYKIIEDDIEP-UHFFFAOYSA-N 207.189 -0.379 50 20 BBGD COC(=O)NNC(=O)CCCCc1c[nH]nn1 138243368 JBVNFCIOIQIUAP-UHFFFAOYSA-N 241.251 -0.095 50 20 BBGD CN(C)C(=O)CNC(=O)NNc1ccccn1 193237682 FKNJZSLGQXKUAW-UHFFFAOYSA-N 237.263 -0.204 50 20 BBGD CN(NC(=O)c1cc(N)nc(Cl)c1)C(N)=O 309266629 JQKBULZIYHBPQA-UHFFFAOYSA-N 243.654 -0.028 50 20 BBGD CN(C)C(=O)NNC(=O)[C@@H]1CCCCN1C 737819845 UWMTYHLLMBHUKT-QMMMGPOBSA-N 228.296 -0.227 50 20 BBGD O=C(NNC(=O)C1CC1)c1cnn2ncccc12 765973342 HADNKOXXNGNAEQ-UHFFFAOYSA-N 245.242 -0.100 50 20 BBGD CC[C@H](CO)C(=O)NNc1nccc(OC)n1 779601575 DGYCGBMBTYDINQ-SSDOTTSWSA-N 240.263 -0.053 50 20 BBGD CCNC(=O)NNC(=O)[C@H]1CO[C@@H](C)C1 784149719 QTXMFCSOMKZAEK-NKWVEPMBSA-N 215.253 -0.238 50 20 BBGD C[C@H](C(=O)NNc1ccncn1)N(C)C 823279705 RSKAZISOOHWIFG-SSDOTTSWSA-N 209.253 -0.130 50 20 BBGD COCCOCC(=O)NN=C1COCCOC1 872400902 XNHHSNDFJTZLDF-UHFFFAOYSA-N 246.263 -0.832 50 20 BBGD C/C=C/[C@@H](O)C(=O)NNC(=O)c1cnn(C)c1 900748264 ZVYVCMLCDBMSOU-MPJRPATESA-N 238.247 -0.882 50 20 BBGD COC(=O)CC(=O)NNC(=O)C(C)(C)C 906213015 AAHZSXBQQIZANH-UHFFFAOYSA-N 216.237 -0.257 50 20 BBGD CC(=O)NNC(=O)[C@](C)(NC(C)=O)C(C)C 929182977 MJNZFPWIMVSCHI-SNVBAGLBSA-N 229.280 -0.296 50 20 BBGD CC(C)NC(=O)C(=O)NNC=C(C#N)C#N 1317728551 DWSFSKYEAQBHBS-UHFFFAOYSA-N 221.220 -0.937 50 20 BBGD C#Cc1ccc(C(=O)NNC(=O)N(C)C)cn1 1318317949 KOIDAUIFPBCHII-UHFFFAOYSA-N 232.243 -0.021 50 20 BBGD Cc1cc(CC(=O)NN=Cc2cnnn2C)n[nH]1 1318968230 LNPVCJNEHCYCGY-UHFFFAOYSA-N 247.262 -0.461 50 20 BBGD CCNC(=O)NNC(=O)c1cnc(C)[nH]1 1319488793 FWVVMXDPDYOUJV-UHFFFAOYSA-N 211.225 -0.318 50 20 BBGD Cc1cc(C)nc(NNC(=O)c2cnnn2C)n1 1321152043 PTPUUECPETXUER-UHFFFAOYSA-N 247.262 -0.021 50 20 BBGD COCc1ncsc1C(=O)NNC(=O)CO 1323069892 DINQPPFWOXHDFZ-UHFFFAOYSA-N 245.260 -0.957 50 20 BBGD Cn1ncc(/C=C(/C#N)S(C)(=O)=O)n1 1324631352 RECHSGMJRHTIJP-CLTKARDFSA-N 212.234 -0.276 50 20 BBGD CO[C@@H]1CS(=O)(=O)C[C@@H]1NC=C(C#N)C#N 1329277213 NYEVQGYZYRXSMA-DTWKUNHWSA-N 241.272 -0.681 50 20 BBGD CCN(CCO)NC(=O)c1ccc(O)nn1 1330260281 BVQDYPSJLWYYNB-UHFFFAOYSA-N 226.236 -0.859 50 20 BBGD O=C(c1ccco1)N1CC[C@@H](B(O)O)C1 1335434940 ZKGMZTMRBJFNER-SSDOTTSWSA-N 209.010 -0.032 50 20 BBGD CC(=O)NNC(=O)CCCCC(=O)O 1588514770 ZCZQEKCVAAOIIL-UHFFFAOYSA-N 202.210 -0.201 50 20 BBGD CCCNC(=O)NNC(=O)[C@H](C)C(=O)O 1589676947 PXQFJZYYPHSIHK-YFKPBYRVSA-N 217.225 -0.553 50 20 BBGD CCCNC(=O)NNC(=O)[C@@H](C(=O)O)C1CC1 1589676977 SFYJRLZORKJKEG-ZETCQYMHSA-N 243.263 -0.162 50 20 BBGD CC[C@@H](NNC(=O)c1cnsn1)C(=O)O 1595305859 OGAKSOINNIRIEW-SCSAIBSYSA-N 230.249 -0.364 50 20 BBGD COCC(=O)NNC(=O)Nc1ccccn1 128229547 OJSHCIYFHCYIHO-UHFFFAOYSA-N 224.220 -0.119 50 20 BBGD COCC[C@@H](C)NCc1ccc(B(O)O)cc1 585021774 ZMRZCAHQCZTRNP-SNVBAGLBSA-N 237.108 -0.119 50 20 BBGD COC(C)(C)CNCc1ccccc1B(O)O 585027160 OJHKXBNCZWBWSM-UHFFFAOYSA-N 237.108 -0.119 50 20 BBGD O=C(O)c1cccc(N2CC[C@@H](B(O)O)C2)n1 585073885 PSUMSOUKHIGCRQ-SSDOTTSWSA-N 236.036 -0.167 50 20 BBGD C#CC[C@@H](CO)NS(=O)(=O)CCl 717761841 RFQDITYQPIBPFV-LURJTMIESA-N 211.670 -0.514 50 20 BBGD CCOC(=O)NNC(=O)[C@H]1C[C@H]1C(=O)O 737146850 RBEZNOAPVAWOKZ-CRCLSJGQSA-N 216.193 -0.516 50 20 BBGD CNC(=O)NNC(=O)[C@@H](O)C(C)(C)C 764876137 ZEKHNLKPQGLIKG-RXMQYKEDSA-N 203.242 -0.646 50 20 BBGD CC(=O)NNC(=O)Cc1ccccc1CO 779717611 UOEBWUNYWQGJCV-UHFFFAOYSA-N 222.244 -0.111 50 20 BBGD COCCN(C)NC(=O)c1ccc(C(N)=O)o1 808073441 LEWBZJHEVQHCCL-UHFFFAOYSA-N 241.247 -0.399 50 20 BBGD COCCN(C)NC(=O)c1ccc(=O)n(C)n1 808074276 SGYNVARQJWFNBJ-UHFFFAOYSA-N 240.263 -0.997 50 20 BBGD C[C@@H]1C(=O)N(C)CCN1S(=O)(=O)CCl 831165522 LLXOIMQICQAPQD-ZCFIWIBFSA-N 240.712 -0.325 50 20 BBGD C[C@H](C(=O)NNC(=O)c1ccncc1)N(C)C 873721091 FIIUOEVPCBOTFP-MRVPVSSYSA-N 236.275 -0.207 50 20 BBGD O=C1CC[C@@H]2[C@H]1[C@@H]2C(=O)NNc1nc[nH]n1 899126856 HDBKMJKFDJTFLV-QPPQHZFASA-N 221.220 -0.527 50 20 BBGD C[C@H](O)CN(C)NC(=O)/C=C\c1cnn(C)c1 910176694 BYPISGJFXRQRDB-WBSSQXGSSA-N 238.291 -0.223 50 20 BBGD C[C@@H](O)CN(C)NC(=O)C12CCCN1CCC2 1262178277 WLNNBHNTZYRRBU-SNVBAGLBSA-N 241.335 -0.041 50 20 BBGD CN1CCC(CNC(=S)NNC(N)=O)CC1 1321069878 GQEVTIMXYAFWFB-UHFFFAOYSA-N 245.352 -0.624 50 20 BBGD C[C@H](NC(N)=O)C(=O)N1CC=C(C#N)CC1 1321410777 VCJRTRJJGNADCH-ZETCQYMHSA-N 222.248 -0.275 50 20 BBGD N[C@H]1C[C@@H](CNC(=O)NNC(=O)C2CCC2)C1 1331411844 AQLTUCKZGCIVIK-OTSSQURYSA-N 240.307 -0.146 50 20 BBGD O=C(CCc1nc[nH]n1)NNC(=O)CC1CC1 1347748780 SZGUCJPRRAWKAN-UHFFFAOYSA-N 237.263 -0.315 50 20 BBGD O=C(NNC(=O)[C@@H]1C[C@H]1F)c1ncccn1 1349631835 DQZZVIUQPZUVHO-PHDIDXHHSA-N 224.195 -0.404 50 20 BBGD O=C(CCn1cccn1)NNC(=O)NC1CC1 143267086 CBRIFYNFXPJLLY-UHFFFAOYSA-N 237.263 -0.234 50 20 BBGD OB(O)c1ccc(CNC[C@@H]2CCSC2)o1 585038752 LGMLQUPPJSQHFS-QMMMGPOBSA-N 241.121 -0.198 50 20 BBGD OC[C@@H](CNCc1cccc(B(O)O)c1)C1CC1 585041018 MANRKJMXBNQLJY-GFCCVEGCSA-N 249.119 -0.526 50 20 BBGD O=S(=O)(CCC1CCCC1)NCB(O)O 585057225 PRVKESYWCFOUDK-UHFFFAOYSA-N 235.114 -0.502 50 20 BBGD O=C(NNc1cccnn1)[C@H]1CCOC1 736704020 DVAHYOCJVYKQSH-ZETCQYMHSA-N 208.221 -0.044 50 20 BBGD CC(C)(C)c1cc(C(=O)NNC(=O)CO)no1 753442403 GGWKOBBNRQNWNP-UHFFFAOYSA-N 241.247 -0.275 50 20 BBGD CC(C)[C@H](C(=O)NN(C)C(N)=O)N(C)C 778411890 IHARYEVIVAVOJN-SSDOTTSWSA-N 216.285 -0.386 50 20 BBGD CN(C)CC(=O)NNC(=O)C(C)(C)C(F)F 792638729 RBHOARRBDODNMD-UHFFFAOYSA-N 237.250 -0.013 50 20 BBGD CCN(CCO)NC(=O)/C=C/c1cn(C)cn1 823377095 OBCCSIUJDACWRU-SNAWJCMRSA-N 238.291 -0.221 50 20 BBGD CCN(CCO)NC(=O)c1cnns1 823852485 IMQBGJYTBCIJEC-UHFFFAOYSA-N 216.266 -0.503 50 20 BBGD CCN(CCO)NC(=O)C(C)(C)OC(C)=O 823874053 LKIKRRNCIIUTRV-UHFFFAOYSA-N 232.280 -0.327 50 20 BBGD C[C@@H](CO)N(C)NC(=O)[C@@H]1CCN(C)[C@@H]1C 823912688 JPAVIXBXNRREBG-IVZWLZJFSA-N 229.324 -0.330 50 20 BBGD CCN1CCOC[C@H]1C(=O)NN(C)CCOC 837627345 SKPMCMSTKXNAQJ-JTQLQIEISA-N 245.323 -0.684 50 20 BBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1cocn1 843650401 BSIIIPIFEBEESB-BQBZGAKWSA-N 239.231 -0.139 50 20 BBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1cnco1 843974351 CDVMGUKDBJPGCQ-NKWVEPMBSA-N 239.231 -0.139 50 20 BBGD CC(C)NC(=S)NNC(=O)c1cc[nH]n1 849276171 ARUNFEXJMIKJAW-UHFFFAOYSA-N 227.293 -0.073 50 20 BBGD COC(=O)NNC(=O)[C@H]1[C@H]2C(=O)CC[C@H]21 891772400 NATCDYZGGWDDON-QPPQHZFASA-N 212.205 -0.401 50 20 BBGD CC#CC[C@@H](CO)NCc1cccc(B(O)O)c1 895103655 ZYBDPLYDLHBPIS-ZDUSSCGKSA-N 247.103 -0.770 50 20 BBGD CC(C)(C)NC(=S)NNC(=O)[C@H]1CC(=O)N1 899998286 IZVAOCCUSIBSPY-RXMQYKEDSA-N 244.320 -0.831 50 20 BBGD CC[C@@H](CO)C(=O)NN(C)C[C@@H](C)O 910139430 ABCNHNOHLQPOIZ-SFYZADRCSA-N 204.270 -0.651 50 20 BBGD COC(=O)NNC(=O)c1ccn(C)c(=O)c1 1116603292 CGEFZXVTPNQJHG-UHFFFAOYSA-N 225.204 -0.614 50 20 BBGD O=C(NN=Cc1cscn1)C(=O)NC1CC1 1251188837 SMGLZBBUHJBOQS-UHFFFAOYSA-N 238.272 -0.128 50 20 BBGD CNC(=O)NNC(=O)Cc1cccnc1C 1257418631 FUGTXSRKYQRJKQ-UHFFFAOYSA-N 222.248 -0.107 50 20 BBGD O=C(CCn1cncn1)NNC(=O)C1CCC1 1318692847 DRWSHIKTOHYQOE-UHFFFAOYSA-N 237.263 -0.384 50 20 BBGD COCCO[C@@H](C)C(=O)NNC(=O)NC1CC1 1319067108 XLWFFLQKUFWDPX-ZETCQYMHSA-N 245.279 -0.469 50 20 BBGD CCNC(=O)NNC(=O)CCn1cncn1 1322020745 AHDPABMDPAHEGB-UHFFFAOYSA-N 226.240 -0.982 50 20 BBGD O=C(NNC(=O)[C@]12CNC[C@@H]1C2)c1ccc[nH]1 1580735833 FRVNELRXRXXYPX-WRWORJQWSA-N 234.259 -0.615 50 20 BBGD CC(C)C[C@H](C)NC(=O)NNC(=O)C(=O)O 1591137684 JLCINHZDWHUENX-LURJTMIESA-N 231.252 -0.164 50 20 BBGD COCc1ccc(C(=O)NNC(=O)CO)cc1 180944082 ICVSVTMQYZNGLH-UHFFFAOYSA-N 238.243 -0.414 50 20 BBGD CC[C@@H](OC)C(=O)NNC(=O)c1cc(C)n[nH]1 269034499 NDHQFNSHVVZCGC-MRVPVSSYSA-N 240.263 -0.096 50 20 BBGD C#CCO[C@H](C)C(=O)NNC(=O)c1cccn1C 294568068 XCQOIDXEHFMDEG-SECBINFHSA-N 249.270 -0.176 50 20 BBGD COC(=O)NNC(=O)c1nccc(N)n1 308859866 UYSYTXPDVRWFLB-UHFFFAOYSA-N 211.181 -0.940 50 20 BBGD NNC(=O)[C@@H]1Cc2ccccc2C(=O)O1 364763086 VSFZKZNVKSBDCA-QMMMGPOBSA-N 206.201 -0.242 50 20 BBGD OCC(F)(F)CNCc1ccccc1B(O)O 585036016 BZXTVXRMBBYCCQ-UHFFFAOYSA-N 245.034 -0.916 50 20 BBGD CC1(C)[C@@H](O)C[C@H]1NCc1ccccc1B(O)O 585036422 IZPYLMXBEZWLGL-NEPJUHHUSA-N 249.119 -0.385 50 20 BBGD OB(O)c1ccc(CNC[C@@H]2CC23CC3)o1 585046434 RGJUECFURZQAMF-QMMMGPOBSA-N 221.065 -0.151 50 20 BBGD OB(O)c1cccc(CNCCOC(F)F)c1 585047107 GZRDKIXHIWHLRU-UHFFFAOYSA-N 245.034 -0.305 50 20 BBGD OB(O)c1ccc(CN[C@@H]2C=CCC2)o1 585047715 UALLJUOYZGBJSY-MRVPVSSYSA-N 207.038 -0.232 50 20 BBGD O=C(COCC1CC1)N1CC[C@@H](B(O)O)C1 585077195 QGMJQLMBSGADPS-SECBINFHSA-N 227.069 -0.512 50 20 BBGD CC(=O)CSCC(=O)NNC(=O)C1CC1 749094647 RXZMCTIVZQMBGE-UHFFFAOYSA-N 230.289 -0.134 50 20 BBGD CCCNC(=O)NNC(=O)C1(C(=O)OC)CC1 767330182 CWVGKMQYIRJBEW-UHFFFAOYSA-N 243.263 -0.320 50 20 BBGD CC(C)(O)C(=O)NNC(=O)Cc1ccoc1 768243744 HCBAKJHGPDRTKM-UHFFFAOYSA-N 226.232 -0.260 50 20 BBGD CCNC(=O)NN=Cc1cn(CC(=O)O)nn1 768481913 FVLZNGOMAYGTEM-UHFFFAOYSA-N 240.223 -0.984 50 20 BBGD C[C@@](O)(C(=O)NNC(=O)NCC1CC1)C1CC1 804303821 ZWHUJZFPVKSJIG-NSHDSACASA-N 241.291 -0.112 50 20 BBGD CCNC(=O)NNC(=O)[C@@H](CC)NC(C)=O 865015641 FKZADKFZEPJFJW-SSDOTTSWSA-N 230.268 -0.749 50 20 BBGD CNC(=O)NNC(=O)[C@H]1CC[C@@H]2CCCCN21 900352267 AKKYSLZXMUSNBZ-DTWKUNHWSA-N 240.307 -0.037 50 20 BBGD C[C@H](O)CN(C)NC(=O)Cc1cncn1C 910160214 MBOAELNIHLHRRF-QMMMGPOBSA-N 226.280 -0.694 50 20 BBGD COC(=O)C(=O)NNC(=O)N[C@H]1CCC[C@H]1C 1116181960 NETAGDJYGMXEPJ-RQJHMYQMSA-N 243.263 -0.322 50 20 BBGD O=C(NNC(=O)N1CCOCC1)c1cnco1 1116391691 FMIWXYPODXDFON-UHFFFAOYSA-N 240.219 -0.639 50 20 BBGD O=C(c1n[nH]c2c1CCC2)N1CC[C@H](B(O)O)C1 1118916159 LSEBXUCWCAHPGY-ZETCQYMHSA-N 249.079 -0.413 50 20 BBGD Cc1nnc(NNC(=O)c2ccn(C)c2)nc1O 1319370577 WFRWTCKDOUCFRT-UHFFFAOYSA-N 248.246 -0.019 50 20 BBGD NNC(=O)[C@@H]1CS(=O)(=O)C[C@H]1C(F)(F)F 1333336460 NBHAUVPZGKQONT-QWWZWVQMSA-N 246.210 -0.801 50 20 BBGD CS/C=C/C(=O)NNC(=O)[C@H]1CCC(=O)N1 1335329210 GCDMFVGUZPHMRF-BMMSZFGTSA-N 243.288 -0.711 50 20 BBGD CNC(=O)NNC(=O)[C@@]1(C)CCN(C(C)=O)C1 1339817317 CBELJRVTWCALQJ-JTQLQIEISA-N 242.279 -0.795 50 20 BBGD O=C(O)[C@@H]1CC[C@H]1C(=O)NNc1nc[nH]n1 1595182679 YBVOHTWLPFNCMG-RFZPGFLSSA-N 225.208 -0.641 50 20 BBGD CCCn1cc(C(C)=NNC(=O)C(=O)O)nn1 1596113437 IZYIRBDTUMTFQS-UHFFFAOYSA-N 239.235 -0.387 50 20 BBGD CNC(=O)NN=Cc1ccc(C(=O)O)n1C 1610140846 NQLLQIFEICUIMO-UHFFFAOYSA-N 224.220 -0.014 50 20 BBGD CC(C)(C)C(=O)NNC(=O)c1c[nH]nn1 129613776 PINMRKWYNBWJLK-UHFFFAOYSA-N 211.225 -0.388 50 20 BBGD COC(=O)N(C)NC(=O)c1cnns1 495691303 AARIOZKSYKAUAD-UHFFFAOYSA-N 216.222 -0.119 50 20 BBGD O=C(c1cccc(B(O)O)c1)N1CCSC1 584930596 NSMCWAROBCDHFP-UHFFFAOYSA-N 237.089 -0.487 50 20 BBGD CC[C@@H](CCO)NCc1cccc(B(O)O)c1 585025074 LEJBCUFYGFKDEC-LBPRGKRZSA-N 237.108 -0.383 50 20 BBGD CC[C@@H]1CCO[C@@H]1C(=O)N1CC[C@@H](B(O)O)C1 585068084 XWOCAHMDONSUOD-BBBLOLIVSA-N 241.096 -0.123 50 20 BBGD COCC(=O)NNC(=S)NCC1CCC1 727867239 XKMVVRNVOLPXEP-UHFFFAOYSA-N 231.321 -0.072 50 20 BBGD CCONC(=O)NNC(=O)Cc1cccnc1 729224246 YLTFWEQPMIAUHC-UHFFFAOYSA-N 238.247 -0.094 50 20 BBGD C#CCNC(=S)NNC(=O)Cc1ccncc1 758242006 XFOKQPXWSWEJHP-UHFFFAOYSA-N 248.311 -0.247 50 20 BBGD O=C(CO)NNC(=O)C1=Cc2ccccc2OC1 777782917 WZUVIPMVRZBBHT-UHFFFAOYSA-N 248.238 -0.398 50 20 BBGD Cn1cc(C(=O)NN=Cc2cn(C)nc2O)cn1 814223030 JVNKXDCTNWWQLR-UHFFFAOYSA-N 248.246 -0.377 50 20 BBGD CCOC(=O)NNC(=O)c1nn(CC)nc1C 814703706 FTGDGNGFKJSJCP-UHFFFAOYSA-N 241.251 -0.003 50 20 BBGD CNC(=O)NCCC(=O)NNc1ccccn1 815969226 LKOZKTMVPQYUOP-UHFFFAOYSA-N 237.263 -0.156 50 20 BBGD C[C@H](CO)N(C)NC(=O)[C@](C)(O)C1CCC1 823922383 KIIKAGGVLGBYHQ-LDYMZIIASA-N 230.308 -0.119 50 20 BBGD CC(C)[C@@](C)(O)C(=O)NN(C)[C@@H](C)CO 823934366 FXGLDFLIGQVQDZ-WCBMZHEXSA-N 218.297 -0.263 50 20 BBGD C[C@H](CO)N(C)NC(=O)c1cnn2ncccc12 823934929 KZNLLEKUVXVMED-MRVPVSSYSA-N 249.274 -0.313 50 20 BBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1cnc[nH]1 843975217 QNRQNCWQRFWPKE-RNFRBKRXSA-N 238.247 -0.404 50 20 BBGD CCOC(=O)NNC(=O)C(C)(C)CNC(C)=O 845074417 MMOTUMNWENZLEM-UHFFFAOYSA-N 245.279 -0.074 50 20 BBGD CC[C@@H](CC#N)NCC(=O)NNC(=O)C1CC1 846988059 QIVNQWOVXUQYEH-VIFPVBQESA-N 238.291 -0.174 50 20 BBGD COCCN(C)NC(=O)Cc1cncc(O)c1 848378096 ICQLBSMGOQJSSA-UHFFFAOYSA-N 239.275 -0.061 50 20 BBGD C[C@@]1(C(=O)NNC(=O)CO)CC=CCC1 857169655 JSEDKJGFNRBUEF-SNVBAGLBSA-N 212.249 -0.128 50 20 BBGD OB(O)c1ccc(CNC[C@H]2CCCOC2)cc1 876956031 FNUQOSDLRWUKLU-GFCCVEGCSA-N 249.119 -0.117 50 20 BBGD CCCOCC(=O)NNC(=O)c1cccnn1 882059891 NZUWMPOJHVSSFK-UHFFFAOYSA-N 238.247 -0.336 50 20 BBGD COCCC(=O)NNC(=O)c1cccnn1 882060355 RKSWUXIHVGCXEO-UHFFFAOYSA-N 224.220 -0.726 50 20 BBGD CC[C@@H](C)[C@@H](NNC(=O)COC)C(=O)OC 905768945 YAMWKRBXUJOUHR-VXNVDRBHSA-N 232.280 -0.159 50 20 BBGD O=C(CCn1ccnn1)NNc1cccnn1 1116741948 ZNHYKFLNWITRHN-UHFFFAOYSA-N 233.235 -0.399 50 20 BBGD CCNC(=O)NNC(=O)c1[nH]c(O)nc1C 1327606316 FIKIXSBIESQKJW-UHFFFAOYSA-N 227.224 -0.612 50 20 BBGD C=CCNC(=S)NNC(=O)c1cnns1 1344525120 ZCTXKLLOJHKXDP-UHFFFAOYSA-N 243.317 -0.167 50 20 BBGD C[C@H](C(=O)NNc1cccnn1)[C@@H]1CCC(=O)N1 1351520749 FTZLBCFIRWCHFY-YUMQZZPRSA-N 249.274 -0.166 50 20 BBGD CC[C@H]1CCC[C@H]1NC(=O)NNC(=O)C(=O)O 1595457974 VQQKBJYQXKUDIG-NKWVEPMBSA-N 243.263 -0.020 50 20 BBGD CCNC(=O)N(C)NC(=O)CC(=O)O 1596462668 ANCSQUGKENLPAC-UHFFFAOYSA-N 203.198 -0.846 50 20 BBGD C[C@@H](NC(=O)c1cccs1)C(=O)NN 36962887 GFALRBDFBQNXHQ-RXMQYKEDSA-N 213.262 -0.144 50 20 BBGD NNC(=O)CN1C(=O)NC2(CCCCC2)C1=O 40166079 HBWUHQLJPUQTPV-UHFFFAOYSA-N 240.263 -0.769 50 20 BBGD O=C(NCB(O)O)c1ccc(CF)cc1 585062784 NHWXJBBVZTVRSV-UHFFFAOYSA-N 211.001 -0.102 50 20 BBGD Cn1ccc(C(=O)NNC(=O)c2ccc[nH]2)n1 727367728 YBBPDYSMUSBAEK-UHFFFAOYSA-N 233.231 -0.177 50 20 BBGD CCOCC(=O)NNC(=O)Cc1cccnc1 728851050 KTUOTVLUHHNBHT-UHFFFAOYSA-N 237.259 -0.192 50 20 BBGD COCC1(C(=O)NNC(=O)NC2CC2)CC1 778648505 BTHCOJGQEQYQHW-UHFFFAOYSA-N 227.264 -0.094 50 20 BBGD C#CCN1CCC[C@H]1C(=O)NN(C)[C@@H](C)CO 823960200 XLDOMBKLUDXOAG-QWRGUYRKSA-N 239.319 -0.572 50 20 BBGD Cc1ccn(C)c(=O)c1NC(=O)NNC(=O)O 832982972 ZYIUHIGIFRXMHT-UHFFFAOYSA-N 240.219 -0.002 50 20 BBGD COCC(=O)NN=Cc1nccc(OC)n1 842527840 NDFHMQFJLOZOFJ-UHFFFAOYSA-N 224.220 -0.418 50 20 BBGD CN(NC(=O)[C@@H]1CC(=O)N1)C(=O)OC(C)(C)C 854920219 QDCXXXQICBCLHD-LURJTMIESA-N 243.263 -0.227 50 20 BBGD CNC(=S)N(C)NC(=O)[C@H]1CCCOC1 854924328 UURASWXSFAZYNB-ZETCQYMHSA-N 231.321 -0.120 50 20 BBGD CC(C)NC(=O)C(=O)NN=C1COC[C@H]1C 884406607 ZORBIHLCDLTBQQ-SSDOTTSWSA-N 227.264 -0.351 50 20 BBGD C[C@@H]1COC[C@H]1NCc1ccccc1B(O)O 896732253 DBUQHRVYMSPBBB-BXKDBHETSA-N 235.092 -0.509 50 20 BBGD CCO[C@@H]1C[C@H]1C(=O)NNC(=O)C1CC1 916093403 QGUGCSCQWLAKMT-HTQZYQBOSA-N 212.249 -0.031 50 20 BBGD CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)NN 918553589 CWCMGNUZBCUATH-MRVPVSSYSA-N 249.336 -0.429 50 20 BBGD COCC#CC(=O)NNC(=O)C1CCC1 1261687299 JIJPEXSUURUNIA-UHFFFAOYSA-N 210.233 -0.416 50 20 BBGD O=C(NCC1CC1)C(=O)NN=c1cc[nH]cc1 1320988969 LWAXNGLIYUSOLY-UHFFFAOYSA-N 234.259 -0.527 50 20 BBGD C[C@@H](CO)N(C)NC(=O)c1cccc(O)n1 1330878334 AEURMTLIUIGYJT-ZETCQYMHSA-N 225.248 -0.255 50 20 BBGD Cn1ccnc1C(NC(=O)NN)c1nccn1C 1579976829 BQCRZKNLGXRLJY-UHFFFAOYSA-N 249.278 -0.584 50 20 BBGD Cc1cccc(NC(=O)NNC(=O)CCO)n1 129018712 RBAQZFVQFCPUDP-UHFFFAOYSA-N 238.247 -0.075 50 20 BBGD N#Cc1ccc(CCC(=O)NNC(=O)CO)cc1 182761982 GUBSJQXEGXYZDC-UHFFFAOYSA-N 247.254 -0.369 50 20 BBGD C[C@@H]1OCC[C@]1(O)CNS(=O)(=O)CCl 227191613 XNBIKXRHCHPGTL-BQBZGAKWSA-N 243.712 -0.358 50 20 BBGD O=Cc1ccc(C(=O)NNC(=O)C2CC2)[nH]1 267311917 ASTVDPPHWCBHAV-UHFFFAOYSA-N 221.216 -0.002 50 20 BBGD CC[C@@H](C(=O)NN(C)C(=O)OC)C(=O)OC 286464362 UBONGNOONUTRNX-LURJTMIESA-N 232.236 -0.085 50 20 BBGD COCCN(C)NC(=O)Cc1ccn[nH]1 288503300 MOMNRODYOIREQX-UHFFFAOYSA-N 212.253 -0.438 50 20 BBGD Cn1cc(C(=O)NNC(=O)C(C)(F)F)cn1 293785701 TYRNIXWDTVQOAJ-UHFFFAOYSA-N 232.190 -0.164 50 20 BBGD CC(=O)NNC(=O)c1ccc(C(=O)O)cn1 381030243 AASCKGVKVYDJNH-UHFFFAOYSA-N 223.188 -0.439 50 20 BBGD CCNC(=O)N(C)N=Cc1cnc(=N)[nH]c1 381534663 GGIWCOQLZGJYNA-UHFFFAOYSA-N 222.252 -0.116 50 20 BBGD O=C(CCl)N1C[C@H](n2ccnc2)[C@H](O)C1 409428630 GUFLHORJLYIUDL-JGVFFNPUSA-N 229.667 -0.134 50 20 BBGD CCO/C=C(/C#N)C(=O)N[C@H]1CNC(=O)C1 490844628 QZZHDYSESJHCMV-NFXKFNAJSA-N 223.232 -0.565 50 20 BBGD COC(=O)N(C)NC(=O)CN1CCCCC1=O 496515574 VOQHRWCAHDDFQT-UHFFFAOYSA-N 243.263 -0.272 50 20 BBGD CCNC(=O)N(C)NC(=O)[C@@H]1NC(=O)O[C@@H]1C 497017281 FYRKFAVGNPLMED-PHDIDXHHSA-N 244.251 -0.824 50 20 BBGD O=C(c1cc(B(O)O)ccc1F)N1CCC1 584944616 LZHWGEXYYWGVIL-UHFFFAOYSA-N 223.012 -0.649 50 20 BBGD Cn1cnc2cc(C(=O)NCB(O)O)ccc21 585062938 PXYARXBSQXKEOV-UHFFFAOYSA-N 233.036 -0.685 50 20 BBGD CC(C)(C)C(=O)NNC(=S)NCC(N)=O 727075019 FRFMRMCGASTYRK-UHFFFAOYSA-N 232.309 -0.987 50 20 BBGD Cc1cc(C)n(CC(=O)NNC(=O)[C@H](C)C#N)n1 735836669 MKYSYJADUISGAA-SSDOTTSWSA-N 249.274 -0.193 50 20 BBGD Cc1cc(NNC(=O)CN(C)C(=O)O)ncn1 738462374 NSEOQEBTERXDSK-UHFFFAOYSA-N 239.235 -0.162 50 20 BBGD COCC(=O)NN[C@@H](C(N)=O)c1ccccc1 761835843 LDNIWHTTYNRHLF-SNVBAGLBSA-N 237.259 -0.520 50 20 BBGD CCNC(=O)N(C)NC(=O)[C@H](O)CCSC 768410188 QFQKNZIAUBQNNI-SSDOTTSWSA-N 249.336 -0.207 50 20 BBGD COC(=O)CNC(=O)NN=CC[C@@H]1CCOC1 779818170 WZIKALRPCFOFFR-MRVPVSSYSA-N 243.263 -0.129 50 20 BBGD CC[C@H](NNC(=O)COC)C(=O)OC 790446430 ZZMCULUZYCFVFW-LURJTMIESA-N 204.226 -0.795 50 20 BBGD CN1C(=O)CC[C@H]1CC(=O)NN=c1cc[nH]cc1 831867740 HVBAUAXXNSYRPV-JTQLQIEISA-N 248.286 -0.043 50 20 BBGD COCCN(C)NC(=O)c1cnc(OC)nc1 837623120 HRWIYEBXWXBKHJ-UHFFFAOYSA-N 240.263 -0.292 50 20 BBGD C[C@@H]1CC(=NNC(=O)C(=O)NC2CC2)CO1 842525964 YXJHYKDHNFUEAL-ZCFIWIBFSA-N 225.248 -0.454 50 20 BBGD NCCOCC(=O)NNC(=O)c1ccccc1 844203254 DBNOVAXNAMWQRS-UHFFFAOYSA-N 237.259 -0.577 50 20 BBGD CCNC(=O)NNC(=O)C[C@H](C)CC(=O)OC 847391202 UTPUUNFZEZFUPW-ZETCQYMHSA-N 245.279 -0.074 50 20 BBGD COCCN(C)NC(=O)c1c[nH]c(C)cc1=O 848377630 PPBZZDBDEFTQOU-UHFFFAOYSA-N 239.275 -0.094 50 20 BBGD CC[C@H]1COCC1=NNC(=O)NCC(=O)OC 853331277 MXUCNHDTLBCBTG-ZETCQYMHSA-N 243.263 -0.129 50 20 BBGD CNC(=S)N(C)NC(=O)[C@H]1CO[C@@H](C)C1 854919764 FADZHWMRDBZRDG-NKWVEPMBSA-N 231.321 -0.121 50 20 BBGD CC[C@@H](C(=O)NNC(=O)c1cc[nH]n1)N(C)C 855358061 ZWKZTVWNFQDVIO-QMMMGPOBSA-N 239.279 -0.489 50 20 BBGD O=C(CN1CCCC1)NNC(=O)NCC1CC1 874194155 AXMXZXHIJKKDID-UHFFFAOYSA-N 240.307 -0.177 50 20 BBGD C[C@@H](O)CN(C)NC(=O)[C@@H]1CCCN1C1CC1 910151083 ZJDIYPUFPVOEBW-KOLCDFICSA-N 241.335 -0.043 50 20 BBGD C[C@@H](O)CN(C)NC(=O)c1cc2ncccn2n1 910158094 UOMAMOGBUBRLFZ-MRVPVSSYSA-N 249.274 -0.313 50 20 BBGD CC[C@](C)(O)C(=O)NNC(=O)c1cnn(C)c1 933087416 CCUVTWAKBOENGQ-JTQLQIEISA-N 240.263 -0.658 50 20 BBGD CNC(=O)NNC(=O)c1cc(C)nn1C 1115886790 GHILIVFVPZTTJC-UHFFFAOYSA-N 211.225 -0.698 50 20 BBGD C[C@H](O)c1ncc(C=NNC(=O)CO)s1 1116817385 TUNLAXDPOOVMQL-YFKPBYRVSA-N 229.261 -0.361 50 20 BBGD CNC(=S)N(C)NC(=O)CCCC(N)=O 1328744912 NQPWDBBSPHUJJD-UHFFFAOYSA-N 232.309 -0.891 50 20 BBGD C[C@@H](O)CN(C)NC(=O)[C@@]1(F)CCOC1 1333346837 GHPNIEPHMBLUBX-VXNVDRBHSA-N 220.244 -0.541 50 20 BBGD Cn1cc(C(=O)NN=C2CC(C(=O)O)C2)nn1 1347219811 RQQNFGGOWXKAMR-UHFFFAOYSA-N 237.219 -0.605 50 20 BBGD C[C@@H](N)CC(=O)NNc1cc(Cl)nc(N)n1 1579400940 BDOWRDIUJCPRDK-SCSAIBSYSA-N 244.686 -0.107 50 20 BBGD CNC(=O)NNC(=O)c1cn2ccccc2n1 48949229 GKDONVQZKMZAMQ-UHFFFAOYSA-N 233.231 -0.092 50 20 BBGD CCNC(=O)NNC(=O)CCc1cnn(C)c1 49164308 XBBNUOQBYXCHSV-UHFFFAOYSA-N 239.279 -0.297 50 20 BBGD O=C(Cn1ccccc1=O)NNC(=O)C1CCC1 70696300 PPASUVMNEJGKQY-UHFFFAOYSA-N 249.270 -0.204 50 20 BBGD O=C(CO)NNC(=O)c1nccc2ccccc12 180951478 QSDFVPUEMBNQAS-UHFFFAOYSA-N 245.238 -0.012 50 20 BBGD Cc1ccc(F)c(C(=O)NNC(=O)CO)c1 180954689 YNXXTPCIJFVSJF-UHFFFAOYSA-N 226.207 -0.113 50 20 BBGD COC(=O)[C@H]1C[C@H]1C(=O)NNC(=O)CC1CC1 294219694 QQZOWRXFCMOXCT-SFYZADRCSA-N 240.259 -0.257 50 20 BBGD COC(=O)N[C@@H](C)C(=O)NNc1cccnn1 495302220 NRKKDPMWSKVRRG-LURJTMIESA-N 239.235 -0.336 50 20 BBGD CCO[C@H]1C[C@@H]1NC(=O)c1ccc(B(O)O)cc1 584983646 YNFMGPWKHRPQQU-QWRGUYRKSA-N 249.075 -0.726 50 20 BBGD OB(O)c1ccc(CNCCCF)cc1 585031414 UMMQJGPTWUNCOF-UHFFFAOYSA-N 211.045 -0.184 50 20 BBGD O=C(NCB(O)O)c1cc(-c2ccco2)on1 585061144 QHZIFKLIQGYKAM-UHFFFAOYSA-N 235.992 -0.324 50 20 BBGD O=C(CC1CC1)NNC(=O)[C@@H]1COCCO1 744640638 AHQCFUKRZWXJIJ-QMMMGPOBSA-N 228.248 -0.651 50 20 BBGD CNC(=O)NNC(=O)c1cnn2ncccc12 765999902 GQERWWGPNRBQBW-UHFFFAOYSA-N 234.219 -0.697 50 20 BBGD Cn1ncc(C=NNC(=O)Cc2ccncc2)n1 814862606 NSPMIJJNYQVZOR-UHFFFAOYSA-N 244.258 -0.097 50 20 BBGD COCC(=O)NN=Cc1cc(C(=O)OC)no1 814871597 WIAUBEIEIOSZIJ-UHFFFAOYSA-N 241.203 -0.442 50 20 BBGD CCCN(C)CC(=O)NN(C)[C@H](C)CO 823959767 PDKRKZREFIOXTN-SECBINFHSA-N 217.313 -0.328 50 20 BBGD C[C@H]1OCC[C@H]1C(=O)NN=Cc1cnc(N)nc1 842559426 CFMPLEZZZNHRNI-VXNVDRBHSA-N 249.274 -0.066 50 20 BBGD CO[C@H](C=NNC(=O)CS(C)(=O)=O)C1CC1 863184552 YVXFVLBACVOLFA-MRVPVSSYSA-N 248.304 -0.442 50 20 BBGD C[C@H](O)CN(C)NC(=O)c1ccc(C=O)n1C 910149543 KRGIZEXXMRROSW-QMMMGPOBSA-N 239.275 -0.205 50 20 BBGD CCOCCNC(=O)NNC(=O)c1ccc[nH]1 916374563 MXFWSBNEIFZCFR-UHFFFAOYSA-N 240.263 -0.005 50 20 BBGD CC(=O)NNC(=O)c1cc(C(N)=O)cs1 920430479 VZAWSOGDMBLDFJ-UHFFFAOYSA-N 227.245 -0.372 50 20 BBGD CCc1cc(C(=O)NN(C)C(N)=O)nn1C 1116528790 XJUMZFKQEFYNBJ-UHFFFAOYSA-N 225.252 -0.362 50 20 BBGD CC[C@H](NC(=O)NNC(=O)C(=O)OC)C1CC1 1118617216 IYIFMQNOKONETP-ZETCQYMHSA-N 243.263 -0.322 50 20 BBGD O=C(NNc1nc[nH]n1)c1cnc2n1CCC2 1261772591 BYWQRCUOXKDSQM-UHFFFAOYSA-N 233.235 -0.296 50 20 BBGD CC[C@H](C)NC(=S)NNC(=O)C(=O)OC 1319345876 LVYCUYQSGQLFGG-YFKPBYRVSA-N 233.293 -0.547 50 20 BBGD C[C@H](NC(N)=O)C(=O)NNc1ncc(F)cn1 1320705391 NHBMZWVICYZGCW-BYPYZUCNSA-N 242.214 -0.884 50 20 BBGD CON=CC(=O)NNC(=O)c1ccc[nH]1 1322824024 NKLGUNCREMIKPZ-UHFFFAOYSA-N 210.193 -0.592 50 20 BBGD CCOCC(=O)NN=Cc1ncnn1C 1326971020 OVESQGDAKPOAIF-UHFFFAOYSA-N 211.225 -0.698 50 20 BBGD CCNC(=O)N(C)NC(=O)[C@@H]1NC[C@@H]2C[C@@H]21 1330085004 JQSSUCMXQJIHMS-BIIVOSGPSA-N 226.280 -0.713 50 20 BBGD C[C@H](C(=O)NN(C)[C@H](C)CO)[C@@H]1CCC(=O)N1 1332366216 LCUFXBLBDJKKSK-VGMNWLOBSA-N 243.307 -0.755 50 20 BBGD Cc1n[nH]cc1C(=O)NNC(=O)CC1COC1 1334745090 JYNIADQJRWQUFL-UHFFFAOYSA-N 238.247 -0.484 50 20 BBGD Cc1[nH]nc(C(=O)NN(C)C(N)=O)c1O 1337365741 MOQTWZWSJPRUBD-UHFFFAOYSA-N 213.197 -0.921 50 20 BBGD COc1ccnc(NNC(=O)[C@]23CNC[C@@H]2C3)n1 1579316955 FTUZBBJIRUIFSZ-WRWORJQWSA-N 249.274 -0.462 50 20 BBGD NC[C@H](O)CC(=O)NNc1nc2ccccc2[nH]1 1580231653 BPABDNJPKFDXCT-SSDOTTSWSA-N 249.274 -0.284 50 20 BBGD CC(=O)NNC(=O)Nc1cncc(C(=O)O)c1 1588515322 LQJUEDDPWSNTNX-UHFFFAOYSA-N 238.203 -0.048 50 20 BBGD C[C@H]1CC(=NNC(=O)NCC(=O)O)CO1 1604644450 ABNJKBFEZPLRKM-YFKPBYRVSA-N 215.209 -0.465 50 20 BBGD O=C(O)COCC(=O)NN=c1cc[nH]cc1F 1606272729 DBAWYEZETUCPRO-UHFFFAOYSA-N 243.194 -0.813 50 20 BBGD O=C(CO)NNC(=O)[C@H]1CCCc2cccnc21 193840811 DCYSKJCYBGTARI-VIFPVBQESA-N 249.270 -0.359 50 20 BBGD CC1(C(=O)NNc2ncccn2)COC1 272879308 WJFBFPBRCNAPQU-UHFFFAOYSA-N 208.221 -0.044 50 20 BBGD COc1ccc(NNC(=O)[C@H](C)O)nc1 275568259 NGSVKBKPCIBWPI-LURJTMIESA-N 211.221 -0.086 50 20 BBGD CC(=O)N1CC(C(=O)NNC(=O)NC(C)C)C1 276569120 VLIYRVWPPLSRKH-UHFFFAOYSA-N 242.279 -0.797 50 20 BBGD O=C(O)C[C@H]1C(=O)NCCN1C(=O)CCl 389367031 VOFYNKAAZQQJNA-YFKPBYRVSA-N 234.639 -0.973 50 20 BBGD O=C(NNc1cccnn1)[C@H]1C[C@H]1C(=O)O 739547912 NRYDUMLVKCPKCC-NTSWFWBYSA-N 222.204 -0.360 50 20 BBGD CCCNC(=O)NNC(=O)[C@@H]1CN(C)CCO1 746171838 ZVCOZCQWOGXBNK-QMMMGPOBSA-N 244.295 -0.943 50 20 BBGD O=C(CN1CCCC1=O)NN=Cc1cc[nH]n1 755587028 LXOPHWSIXIHWCN-UHFFFAOYSA-N 235.247 -0.518 50 20 BBGD O=C(NN=CC1CC1)N[C@@H]1CCS(=O)(=O)C1 755664852 QIGLTTNVBGKLIM-MRVPVSSYSA-N 245.304 -0.132 50 20 BBGD CC[C@@](C)(O)C(=O)NN(C)C[C@H](C)O 822559156 ZZUDDWCMLLHGSL-IONNQARKSA-N 204.270 -0.509 50 20 BBGD C[C@@H](CO)N(C)NC(=O)[C@H]1CCCO1 823939453 LCRJWQBNLUMKAJ-JGVFFNPUSA-N 202.254 -0.491 50 20 BBGD CO[C@@H]1COC[C@H]1NC(=O)NNC(=O)C(C)C 827482497 PHOHRNLQINMJMN-HTQZYQBOSA-N 245.279 -0.613 50 20 BBGD CCNC(=O)N(C)NC(=O)[C@@H]1CC[C@H]1C(=O)O 901614742 NKLSJIXPWZYDBB-RNFRBKRXSA-N 243.263 -0.210 50 20 BBGD CC[C@@H](C)[C@H](NNC(=O)COC)C(=O)OC 905768942 YAMWKRBXUJOUHR-APPZFPTMSA-N 232.280 -0.159 50 20 BBGD CCOCCO[C@H](C)C(=O)NN(C)C[C@H](C)O 910167512 HABIXTFSLWXWCX-VHSXEESVSA-N 248.323 -0.228 50 20 BBGD COc1nn(C)cc1C(=O)NN(C)C[C@@H](C)O 910181950 FWTZKUURMWEJMD-SSDOTTSWSA-N 242.279 -0.614 50 20 BBGD Cc1nc(NC(=O)NNC=C(C#N)C#N)no1 1254391009 MITHYMFENDUVEI-UHFFFAOYSA-N 233.191 -0.065 50 20 BBGD C[S@](=O)CCNC(=O)NNC(=O)C1CCC1 1318538485 AFYMUYUNCIWGJS-INIZCTEOSA-N 247.320 -0.505 50 20 BBGD CCOC(=O)NNC(=O)c1ccc(C(N)=O)o1 1319354122 JPCUXIVRJWWRGB-UHFFFAOYSA-N 241.203 -0.231 50 20 BBGD CC(C)NC(=S)NNC(=O)C1(C(N)=O)CC1 1321665809 QDGBSKWCJVGDCU-UHFFFAOYSA-N 244.320 -0.844 50 20 BBGD O=C(CO)NNc1ccc(-n2ccnc2)nn1 1326493822 DEVUHHIEPYTXIB-UHFFFAOYSA-N 234.219 -0.902 50 20 BBGD Cn1cncc1CC(=O)NNc1cccnn1 1329608122 RTXRHHXUVZFWFN-UHFFFAOYSA-N 232.247 -0.104 50 20 BBGD O=C(CO)NNC(=O)[C@H]1CCOC2(CCC2)C1 1332060470 IBTJQCMPWCRFLH-QMMMGPOBSA-N 242.275 -0.525 50 20 BBGD C[C@@H](C(=O)NNC(=O)N(C)C)n1ccnc1 1337966982 KWCTZRCIIVFDSW-ZETCQYMHSA-N 225.252 -0.254 50 20 BBGD CCCNC(=O)NNC(=O)[C@@H](C)CN 1574076759 YEKXJKMOWWLKKN-LURJTMIESA-N 202.258 -0.678 50 20 BBGD C=CC[C@@H](NNC(=O)[C@H]1COCCO1)C(=O)O 1588750761 ZVEWIPVIWIAYOI-HTQZYQBOSA-N 244.247 -0.948 50 20 BBGD CO[C@@H](C(=O)O)C(=O)NNc1ncccc1F 1593911046 GMOYWGRKGQUBAE-ZCFIWIBFSA-N 243.194 -0.237 50 20 BBGD N#Cc1ccc(C=NNC(=O)C(=O)O)o1 1601098776 YCKHFVLHQPNESA-UHFFFAOYSA-N 207.145 -0.314 50 20 BBGD COCCn1cc(C=NNC(=O)C(=O)O)cn1 1606930839 IEZWNLSFRDHXBP-UHFFFAOYSA-N 240.219 -0.936 50 20 BBGD O=C(NNC(=O)N1CCOCC1)c1ccco1 17083929 ROCJEMMRSSZVKP-UHFFFAOYSA-N 239.231 -0.034 50 20 BBGD CCOC(=O)NCCC(=O)NNC(=O)C1CC1 42348368 HFGPQTRYUHEKQW-UHFFFAOYSA-N 243.263 -0.320 50 20 BBGD CC(=O)NNC(=O)CN1Cc2ccccc2C1=O 96549841 HHCMUJBUPPQNKI-UHFFFAOYSA-N 247.254 -0.190 50 20 BBGD Cc1cnccc1C(=O)NNC(=O)CN(C)C 274557108 BIOUCHAQPXIBNU-UHFFFAOYSA-N 236.275 -0.287 50 20 BBGD CCNC(=O)NCCNS(=O)(=O)CCl 308563622 GQNLAELFZRDMHI-UHFFFAOYSA-N 243.716 -0.579 50 20 BBGD CC[C@H](CO)NCc1cccc(B(O)O)c1 585014654 APFQYABCNJIAOB-LLVKDONJSA-N 223.081 -0.773 50 20 BBGD CO[C@H](C)CN(C)CC(=O)NNC(=O)C1CC1 796638896 BWPICOIFJTUZFB-MRVPVSSYSA-N 243.307 -0.490 50 20 BBGD CN(C)CC(=O)NNC(=O)[C@@H]1CCCSC1 810333802 LINVQFIURRIMQX-MRVPVSSYSA-N 245.348 -0.161 50 20 BBGD CCNC(=O)N(C)N=Cc1cnn(C)n1 814891788 UWADASRFWRDWSX-UHFFFAOYSA-N 210.241 -0.190 50 20 BBGD CC(C)CC(=O)NNC(=O)[C@H]1CC[C@@H]1C(N)=O 816831541 XODHVBAMDRIDHT-YUMQZZPRSA-N 241.291 -0.309 50 20 BBGD CC(C)C(=O)NNC(=O)NCCCC(=O)O 817847362 JIZVYTUINPHDNT-UHFFFAOYSA-N 231.252 -0.162 50 20 BBGD Cc1nonc1C(=O)NN(C)[C@@H](C)CO 823959211 DJBRYUPFWGFOAD-YFKPBYRVSA-N 214.225 -0.665 50 20 BBGD C=CCOCC(=O)NN(C)CCOC 848377215 CUJDEQAJXMIRGP-UHFFFAOYSA-N 202.254 -0.202 50 20 BBGD CN(C1CNC1)S(=O)(=O)CBr 850588082 SFUMBWKGMGIYML-UHFFFAOYSA-N 243.126 -0.428 50 20 BBGD CCOC(C)(OCC)C(=O)NNC(=O)[C@@H](C)O 854386633 RBJWGPRHBKIWQM-SSDOTTSWSA-N 248.279 -0.696 50 20 BBGD COCCN(C)NC(=O)[C@H](COC)OC 854409998 QUKTWCHWWHDMPD-QMMMGPOBSA-N 220.269 -0.743 50 20 BBGD CNC(=S)N(C)NC(=O)[C@H](C)n1cccn1 854926425 ZJSDWYLCSILKHP-ZETCQYMHSA-N 241.320 -0.089 50 20 BBGD C#CCCCC(=O)NNC(=O)[C@@H]1CCN(C)C1 887143083 KRZDJOXNXZIJCG-SNVBAGLBSA-N 237.303 -0.111 50 20 BBGD C[C@@H](CO)N(C)NC(=O)CN(C)C1CCC1 911445351 SPHJUHGDEVJISA-VIFPVBQESA-N 229.324 -0.186 50 20 BBGD COC(=O)NNC(=O)Nc1cnn(C)c1 915325496 HRJWNVLFJFCLLP-UHFFFAOYSA-N 213.197 -0.187 50 20 BBGD COC(=O)CCCC(=O)NNc1cnnn1C 1117762128 MIKYEEZLSYGMFK-UHFFFAOYSA-N 241.251 -0.399 50 20 BBGD CNC(=O)NNC(=S)NCC(F)(F)F 1318167702 XHYYNOPCTYQKDO-UHFFFAOYSA-N 230.215 -0.143 50 20 BBGD O=C(NNC(=O)[C@@H]1CC[C@H]1C(=O)O)C1CC1 1574579117 VPHSURGMRFZZNY-RNFRBKRXSA-N 226.232 -0.345 50 20 BBGD O=C(O)c1cc(C(=O)NNc2cccnn2)[nH]n1 1594781871 LBXNGNLLIJGYSP-UHFFFAOYSA-N 248.202 -0.345 50 20 BBGD CCO/C=C(\C#N)C(=O)N(CC#N)CC(=O)O 1596859373 AYJJCRIJSABHBK-BQYQJAHWSA-N 237.215 -0.133 50 20 BBGD CNC(=O)NNC(=O)C[C@H]1CCCCO1 87188553 YLFRRIZKOKXNQD-SSDOTTSWSA-N 215.253 -0.094 50 20 BBGD COC(=O)N(C)NC(=O)c1nonc1C 286360302 MYOQBCJLGKOZFP-UHFFFAOYSA-N 214.181 -0.279 50 20 BBGD C=CCNC(=S)NNC(=O)[C@@](C)(O)C1CC1 288488261 VUILDYMAFLOGNH-JTQLQIEISA-N 243.332 -0.171 50 20 BBGD OB(O)c1cccc(CNC[C@H]2CCCO2)c1 585014140 JEBUUTBRDQODQX-GFCCVEGCSA-N 235.092 -0.365 50 20 BBGD Cn1cc(CC(=O)NCB(O)O)c2ccccc21 585061437 SGAPMVRUBOSOLN-UHFFFAOYSA-N 246.075 -0.151 50 20 BBGD O=C(NCB(O)O)c1ncc2ccccn12 585066024 IDTZNQLSQMCULX-UHFFFAOYSA-N 219.009 -0.924 50 20 BBGD CC(C)NC(=O)NNC(=O)CCn1ccnn1 732063820 IOROZERTDGNVGL-UHFFFAOYSA-N 240.267 -0.593 50 20 BBGD Cn1cccc1C=NNC(=O)C(=O)NC1CC1 744824248 TWIRYPNRICKCFZ-UHFFFAOYSA-N 234.259 -0.246 50 20 BBGD CCC(=O)NNC(=S)NC[C@@H]1CCOC1 749646023 JPEPASFADSLLSQ-ZETCQYMHSA-N 231.321 -0.072 50 20 BBGD CNC(=O)NNC(=O)C1(N(C)C)CCC1 763032372 YNMMKNYZKWHWDG-UHFFFAOYSA-N 214.269 -0.569 50 20 BBGD C[C@@H]1[C@H](C(=O)NNC(=O)C2CC2)CCN1C 763917668 AXPODSONFUPVCS-VXNVDRBHSA-N 225.292 -0.116 50 20 BBGD CC[C@H](NNC(=O)C1CC1)C(=O)OC 790446360 OSWVBLFDEKOTHP-ZETCQYMHSA-N 200.238 -0.031 50 20 BBGD C[C@@H](O)CN(C)NC(=O)Cn1cc(Cl)cn1 823718800 CADLCHSDWAKDAT-SSDOTTSWSA-N 246.698 -0.120 50 20 BBGD C=CCn1cc(C(=O)NNC(=O)C2CC2)nn1 843751759 AQGZNMQAZAUDLR-UHFFFAOYSA-N 235.247 -0.365 50 20 BBGD COCCN(C)NC(=O)Cn1ccc(C)n1 848378414 QKIQPTDFCPPNGX-UHFFFAOYSA-N 226.280 -0.199 50 20 BBGD CC[C@@H]1COCC1=NNC(=O)C(=O)NC1CC1 853282546 IPAAFMQLXTZNBT-SSDOTTSWSA-N 239.275 -0.206 50 20 BBGD CCCNC(=O)NNC(=O)[C@H]1CCCNC1=O 865023568 HAJINIITKODAHN-ZETCQYMHSA-N 242.279 -0.747 50 20 BBGD CCNC(=O)N(C)NC(=O)/C=C/COC 867279389 ZCSWAJMNQVGJFN-AATRIKPKSA-N 215.253 -0.119 50 20 BBGD CC[C@@]1(C(=O)NNc2ccncn2)CCNC1=O 868646578 UFFIGBVLWXWHJG-LLVKDONJSA-N 249.274 -0.164 50 20 BBGD NNC(=O)CCS(=O)(=O)C1CCCC1 915829708 YPPYHCVDYKXFIL-UHFFFAOYSA-N 220.294 -0.276 50 20 BBGD CNC(=O)NNC(=O)CCCC(=O)N(C)C 1116181012 CDEGTERZYUEVTJ-UHFFFAOYSA-N 230.268 -0.795 50 20 BBGD CC(C)NC(=O)NNC(=O)c1ncc[nH]1 1328184403 IIHZQEUUMJFMGT-UHFFFAOYSA-N 211.225 -0.238 50 20 BBGD Cn1cncc1CC(=O)NNc1ccncn1 1329618406 URLXLGBLSYLZAZ-UHFFFAOYSA-N 232.247 -0.104 50 20 BBGD CS(=O)(=O)CC(=O)NN=Cc1cncs1 1330142783 MVOCZUXXTFNSOD-UHFFFAOYSA-N 247.301 -0.362 50 20 BBGD COCc1cc(N2CC[C@H](B(O)O)C2)ncn1 1352156007 JYKHLPPJFWQKTR-QMMMGPOBSA-N 237.068 -0.324 50 20 BBGD CO[C@@H](C(=O)NN)C(=O)OC(C)(C)C 1578891927 RIMPREPKENHQMZ-YFKPBYRVSA-N 204.226 -0.667 50 20 BBGD CCNC(=O)NNC(=O)[C@H]1CC[C@H]1C(=O)O 1589908764 JCMDPAOEKDVSRQ-NTSWFWBYSA-N 229.236 -0.553 50 20 BBGD O=C(O)c1cnc(N2CC[C@@H](B(O)O)C2)nc1 1602524243 ITHXUQCHRJUGHK-SSDOTTSWSA-N 237.024 -0.772 50 20 BBGD O=C1OC(=O)C([C@H]2COCCO2)=C1Cl 101028215 XKLQOVLLZJCAOI-SCSAIBSYSA-N 218.592 -0.022 50 20 BBGD CCO/C=C(\C#N)C(=O)N(C)CCC(N)=O 286261027 RDGMGYNBEHEMMG-BQYQJAHWSA-N 225.248 -0.236 50 20 BBGD Cc1nnsc1C=NNC(=O)CO 308430175 ZLUHCTAFZWQUKA-UHFFFAOYSA-N 200.223 -0.711 50 20 BBGD N#C/C(=C\c1ccc(O)cc1)C(=O)NCC(N)=O 490872104 BFWVZKNOYLBGGE-WEVVVXLNSA-N 245.238 -0.099 50 20 BBGD O=C(NCC1(O)CCC1)c1ccc(B(O)O)cc1 584949231 LLLFXTBZNIJVPB-UHFFFAOYSA-N 249.075 -0.989 50 20 BBGD CC(C)c1cc(C(=O)NCB(O)O)n(C)n1 585060001 IZMVCTGEGZSCCM-UHFFFAOYSA-N 225.057 -0.715 50 20 BBGD Cn1cc(C=NNC(=O)c2ccncc2)nn1 755462491 RRTDTIVYTMPZSL-UHFFFAOYSA-N 230.231 -0.026 50 20 BBGD CC[C@H]1CC[C@H](C(=O)NNC(=O)CN(C)C)O1 757383462 ONLLJHNHMQLHHP-DTWKUNHWSA-N 243.307 -0.347 50 20 BBGD CN(C)C(=O)NNC(=O)[C@@H](O)c1cccnc1 764935724 TYDDBIVLDNELJN-QMMMGPOBSA-N 238.247 -0.583 50 20 BBGD CN(C)C(=O)NNC(=O)CCC(C)(C)O 787268656 XPUZEKQVQBPRKT-UHFFFAOYSA-N 217.269 -0.160 50 20 BBGD CC#CC(=O)NNc1nccnc1OC 791225800 OZQQCOZUJKNQMV-UHFFFAOYSA-N 206.205 -0.048 50 20 BBGD COC[C@H](C)[C@@H](C)C(=O)NNC(=O)CO 812543466 HMICMKQOXRRXRY-NKWVEPMBSA-N 218.253 -0.955 50 20 BBGD CCCNC(=O)NN=Cc1cnn(C)n1 814820193 ZTPREUOXJJOACM-UHFFFAOYSA-N 210.241 -0.142 50 20 BBGD CCOC(=O)NNC(=O)[C@@H]1CC[C@@H]1C(N)=O 816829635 YPISDTAPUGWXEV-NTSWFWBYSA-N 229.236 -0.725 50 20 BBGD CCNC(=O)NNC(=O)CCOCCCOC 823799453 RCIMCVJOOPKDHX-UHFFFAOYSA-N 247.295 -0.220 50 20 BBGD CCN(CCO)NC(=O)[C@@](C)(O)C(C)C 823873662 FSXXKORCPLIIBB-JTQLQIEISA-N 218.297 -0.261 50 20 BBGD O=C1CC[C@H](C(=O)NN=CC2CCOCC2)N1 1118948487 APCPZAOMKLCOTK-SECBINFHSA-N 239.275 -0.206 50 20 BBGD CC(C)NC(=O)NNC(=O)[C@]1(F)CCOC1 1261216715 KUKBVTPUJASHKA-VIFPVBQESA-N 233.243 -0.146 50 20 BBGD CCNC(=S)NNC(=O)C(=O)N1CCCC1 1318220803 HBSSOBXGJPJCLL-UHFFFAOYSA-N 244.320 -0.876 50 20 BBGD NNC(=O)[C@H]1CC[C@@H](C(F)(F)F)NC1=O 1326349492 IDXHJGABIZLMFJ-IMJSIDKUSA-N 225.170 -0.567 50 20 BBGD Cn1ccc(C=NNC(=O)C(=O)NC2CC2)n1 1347627702 HLBXBMSAWYFVJK-UHFFFAOYSA-N 235.247 -0.851 50 20 BBGD O=C(NNC(=O)[C@@H]1NC[C@@H]2C[C@@H]21)c1ccccn1 1580736129 LWESVQQZCVPJDN-OYNCUSHFSA-N 246.270 -0.550 50 20 BBGD CC1(C)CCC[C@H]1NC(=O)NNC(=O)C(=O)O 1609817618 KUOQGQFISJRGQO-ZCFIWIBFSA-N 243.263 -0.020 50 20 BBGD NC(=O)Cn1cc(NC(=O)CCl)cn1 37005710 NBXJPCSTDBKZGN-UHFFFAOYSA-N 216.628 -0.454 50 20 BBGD CC[C@H](N)C(=O)NNc1nc(C)cc(OC)n1 160877065 KJQGFTZHBDZFGR-ZETCQYMHSA-N 239.279 -0.026 50 20 BBGD CCN1C[C@@H](C(=O)NNc2cnccn2)CC1=O 265189172 ROKOJVNXUJMCJX-QMMMGPOBSA-N 249.274 -0.212 50 20 BBGD COC(=O)COCC(=O)NNC(=O)C(C)(C)C 287641642 ORSGRSLCIAUETP-UHFFFAOYSA-N 246.263 -0.631 50 20 BBGD Cc1[nH]c(C=NNC(=O)CO)cc1C(=O)O 390116033 CKULFWGDUSMLOR-UHFFFAOYSA-N 225.204 -0.536 50 20 BBGD COCC[C@H](C)NCc1ccc(B(O)O)o1 585020807 JUDLNPJVDXDEHG-QMMMGPOBSA-N 227.069 -0.526 50 20 BBGD C[C@H](C#N)CNCc1ccc(B(O)O)cc1 585035754 YNVQPKJGBJKFQB-SECBINFHSA-N 218.065 -0.384 50 20 BBGD CC(=O)NC(C)(C)C(=O)NNc1ncccn1 726768757 QHOXMFMXHRWVSW-UHFFFAOYSA-N 237.263 -0.166 50 20 BBGD COC[C@@](C)(O)C(=O)NNc1ncc(F)cn1 762108090 WNEZNHANOBJLTG-SECBINFHSA-N 244.226 -0.544 50 20 BBGD CO[C@H](C(=O)NN(C)C(N)=O)C(C)C 771439466 IQYAGQGKBFPMKH-LURJTMIESA-N 203.242 -0.301 50 20 BBGD Cc1cc(C)n(CCC(=O)NN(C)C(N)=O)n1 778418695 RIOHRXAKOLHCFL-UHFFFAOYSA-N 239.279 -0.068 50 20 BBGD CC[C@@H](CO)C(=O)NNC(=O)N1CCOCC1 779750414 BQRTXYMIVHNFDP-QMMMGPOBSA-N 245.279 -0.922 50 20 BBGD CO[C@@H](C)CS(=O)(=O)NNC(=O)C(C)C 800831330 TYTNXFQMJIGTIS-ZETCQYMHSA-N 238.309 -0.372 50 20 BBGD CON=CC(=O)NNC(=O)Cc1cccnc1 809666217 QYFAKQAAXZLZGW-UHFFFAOYSA-N 236.231 -0.596 50 20 BBGD CCN(CCO)NC(=O)c1nc[nH]c2nccc1-2 823897814 KMNLQCJIVFMURZ-UHFFFAOYSA-N 249.274 -0.132 50 20 BBGD O=C(NN=C1COCCOC1)c1cc[nH]n1 853391603 UBJOEBOHTUMCDB-UHFFFAOYSA-N 224.220 -0.458 50 20 BBGD Cc1nn(C)cc1C(=O)NN(C)C[C@H](C)O 910169141 XJGMVDXLQHHQPR-ZETCQYMHSA-N 226.280 -0.314 50 20 BBGD O=C(CCO)NN=Cc1ccc(O)c(O)c1 1116205533 SDYPEZUJLHYITL-UHFFFAOYSA-N 224.216 -0.070 50 20 BBGD Cc1nonc1C(=O)NNc1cccnn1 1320340418 WUEVZNNFIOKBLB-UHFFFAOYSA-N 220.192 -0.075 50 20 BBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@H](O)C1CC1 1328740704 HASDPKWWUIJQFU-CNUIFLNQSA-N 242.275 -0.670 50 20 BBGD CC(C)[C@@H](C#N)C=NNC(=O)CS(C)(=O)=O 1329555697 BKVSVTNCFAZVDB-QMMMGPOBSA-N 245.304 -0.071 50 20 BBGD CCNC(=O)NNC(=O)c1nocc1C 1331931470 JGFNOPGTTBHHQQ-UHFFFAOYSA-N 212.209 -0.053 50 20 BBGD Cn1cc(C(=O)NNC(=O)[C@@H]2C[C@H]2F)cn1 1517381420 AXLDLYHETBGTBJ-RNFRBKRXSA-N 226.211 -0.461 50 20 BBGD CC(C)C(=O)NNC(=O)[C@@H]1CC(C(=O)O)=NO1 1588799448 ILLLRGAMWLVHPX-LURJTMIESA-N 243.219 -0.981 50 20 BBGD C[C@@H]1[C@@H](Cl)[C@H]1CNCC(=O)NCC(=O)O 1594190519 IOPFDKAZRXFVNQ-ATVXKPNKSA-N 234.683 -0.350 50 20 BBGD O=C(O)CNC(=O)NN=Cc1ccccn1 1602072250 YJUGSFRQCUHACI-UHFFFAOYSA-N 222.204 -0.201 50 20 BBGD CC[C@@H](NCc1ccccc1B(O)O)C(=O)O 1603915826 NQWRVRMZMPDFCX-SNVBAGLBSA-N 237.064 -0.681 50 20 BBGD COC(=O)C[C@@H](C)C(=O)NNC(=O)NC1CC1 268228539 UXYAYKXMLVEUBC-ZCFIWIBFSA-N 243.263 -0.322 50 20 BBGD C#CCNC(=O)NNc1nc2ccccn2n1 491645375 OFDQXALBYNXDBG-UHFFFAOYSA-N 230.231 -0.011 50 20 BBGD CNc1nc(C)cc(C(=O)NNC(=O)OC)n1 495638925 HRODCNPZLCPEDN-UHFFFAOYSA-N 239.235 -0.172 50 20 BBGD C[C@H]1C[C@H](NC(=O)c2cccc(B(O)O)c2)CO1 585004061 WWFGKYLMCVXGQC-KWQFWETISA-N 249.075 -0.726 50 20 BBGD OC[C@H](CCF)NCc1cccc(B(O)O)c1 585045103 BGJKXPHZCSJWGT-NSHDSACASA-N 241.071 -0.824 50 20 BBGD C[C@@H]1OCCC1=NNC(=O)C(=O)N1CCCC1 747754375 XEWQNRXZYHGOPX-QMMMGPOBSA-N 239.275 -0.110 50 20 BBGD CC(C)(O)C(=O)NNC(=O)[C@@H]1[C@H]2CCC[C@H]21 787947079 IYQGDFQUYMTOCG-JIGDXULJSA-N 226.276 -0.049 50 20 BBGD CC(=NNC(=O)CN(C)C)c1cnnn1C 814832402 NIEGDUYYLAURGS-UHFFFAOYSA-N 224.268 -0.783 50 20 BBGD C[C@@H](CN)NS(=O)(=O)CBr 850586144 LZQVOCDTZAZGLT-BYPYZUCNSA-N 231.115 -0.395 50 20 BBGD COc1cc(C(=O)NNC(C)=O)sn1 856733964 KQHDMSXGWNIDDA-UHFFFAOYSA-N 215.234 -0.067 50 20 BBGD CCC(=NNC(=O)[C@@H]1CCC(=O)N1)c1cn[nH]c1 863150929 AMBJHOVPXUJCDV-VIFPVBQESA-N 249.274 -0.081 50 20 BBGD CCc1noc(C(=O)NN(C)CCOC)n1 902712402 PXTHGEUCYNVLNO-UHFFFAOYSA-N 228.252 -0.145 50 20 BBGD CC(C)N(C)CC(=O)NN(C)C[C@H](C)O 910167583 IJIRPXJNMSYBEX-VIFPVBQESA-N 217.313 -0.330 50 20 BBGD COC(=O)/C(C#N)=C\c1cn(CC(=O)O)nn1 1340625486 LBJJFBZSQIUZNJ-KXFIGUGUSA-N 236.187 -0.557 50 20 BBGD Cn1cnc2c(N3CC[C@H](B(O)O)C3)ncnc21 1352156699 SPRKYKUDGIOEHG-ZETCQYMHSA-N 247.067 -0.584 50 20 BBGD C[C@H](O)CN(C)NC(=O)[C@]1(C(=O)O)C[C@H]1C 1573633911 DZOCCMGJQIQRTK-FWWHASMVSA-N 230.264 -0.559 50 20 BBGD NC(=O)C(=O)NN=Cc1ccc(O)c(O)c1 11330033 KPZFYMFIVMWDHH-UHFFFAOYSA-N 223.188 -0.967 50 20 BBGD CN(C)CC(=O)NNC(=O)C[C@H]1CCCCO1 131033097 YVCWYWQPDMYLHX-SECBINFHSA-N 243.307 -0.345 50 20 BBGD COCCN(C)NC(=O)Cn1ccccc1=O 293486432 AFNKSNDYSOHLTJ-UHFFFAOYSA-N 239.275 -0.542 50 20 BBGD C[C@]1(CNCc2ccc(B(O)O)o2)CCOC1 585022879 BXWLASGBCNCCTP-LLVKDONJSA-N 239.080 -0.524 50 20 BBGD O=C(NCB(O)O)c1ncnc2sccc12 585062250 DSVLQXXGLNMASU-UHFFFAOYSA-N 237.049 -0.567 50 20 BBGD CCCNC(=O)CCC(=O)NNC(=O)N(C)C 732064016 SZXGGLIAUPQUAV-UHFFFAOYSA-N 244.295 -0.405 50 20 BBGD C[C@H](O)C(=O)NNC(=O)c1ccncc1 769530801 GECWJUOPZNXZAW-LURJTMIESA-N 209.205 -0.777 50 20 BBGD Cn1cc(C(=O)NNC(=O)CC(C)(C)O)cn1 792184212 JSHWCLROOCKJQE-UHFFFAOYSA-N 240.263 -0.658 50 20 BBGD CCNC(=O)N(C)NC(=O)Cc1cncn1C 807184921 UONIPUHXZJFQEA-UHFFFAOYSA-N 239.279 -0.345 50 20 BBGD C[C@@H]1OCC[C@@H]1C(=O)NN=Cc1cnc(N)nc1 842559422 CFMPLEZZZNHRNI-CBAPKCEASA-N 249.274 -0.066 50 20 BBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)C(F)F 843975699 OJAHZGCBFVWDKM-UHNVWZDZSA-N 222.191 -0.176 50 20 BBGD COCCN(C)NC(=O)c1cc(C)n(C)n1 848378045 ZNQBJHZOHRRHMC-UHFFFAOYSA-N 226.280 -0.048 50 20 BBGD COCCN(C)NC(=O)c1c[nH]nc1[N+](=O)[O-] 848378688 ZGYQYJZYABHCOH-UHFFFAOYSA-N 243.223 -0.459 50 20 BBGD CO[C@@H](C=NNC(=O)C(N)=O)C1CCCC1 853260600 ZWDKDJRKAJIPDM-QMMMGPOBSA-N 227.264 -0.221 50 20 BBGD CN(C)CC(=O)NNC(=O)OCC(F)(F)F 856023359 GRQHIAJXNHJELQ-UHFFFAOYSA-N 243.185 -0.132 50 20 BBGD C[C@H](O)CN(C)NC(=O)[C@@H](C)n1cccn1 910168680 QBWZRZVYZNDASD-DTWKUNHWSA-N 226.280 -0.212 50 20 BBGD CCNC(=O)NNC(=O)CCC(C)=O 920889354 TUXGGPYCQLETLU-UHFFFAOYSA-N 201.226 -0.294 50 20 BBGD CC(C)(C)C(=O)NNC(=O)CN1CC[C@H]1CO 934016033 DFBJANRDUYRIJZ-QMMMGPOBSA-N 243.307 -0.754 50 20 BBGD COC(=O)NNC(=O)CCn1cncn1 1248515064 RWCQHBKIMZZAJB-UHFFFAOYSA-N 213.197 -0.945 50 20 BBGD CN(C)S(=O)(=O)/C(C#N)=C/c1cn(C)nn1 1325013613 APYFMOPBKRHGOO-XBXARRHUSA-N 241.276 -0.429 50 20 BBGD C[C@@H]1OCC[C@@H]1C(=O)NNC=C(C#N)C#N 1327072741 SWNREXHIIFJBAC-CBAPKCEASA-N 220.232 -0.037 50 20 BBGD CN(NC(=O)c1c(C2CC2)cnn1C)C(N)=O 1328274662 SPUONUYFJCPIJG-UHFFFAOYSA-N 237.263 -0.047 50 20 BBGD COC(=O)C[C@@H](C)C(=O)NNc1cnnn1C 1328570409 RANFQTSTRIHUBJ-ZCFIWIBFSA-N 241.251 -0.543 50 20 BBGD CC(C)C(=O)NNC(=O)[C@H]1CCC[C@H]1N 1575398616 PGKGSWKEYUVPAA-JGVFFNPUSA-N 213.281 -0.083 50 20 BBGD C#CCCCC(=O)NNC(=O)[C@H]1C[C@H]1C(=O)O 1588440541 ZBCTUBHBVQLLHS-JGVFFNPUSA-N 238.243 -0.342 50 20 BBGD CC(C)C[C@@H]1C[C@H]1NC(=O)NNC(=O)C(=O)O 1603836447 IQHVNYLVNFVLMG-RNFRBKRXSA-N 243.263 -0.164 50 20 BBGD CO[C@](C)(C(=O)O)C(=O)NNC(=O)NC(C)C 1604463575 REBUFGFLJONQFJ-VIFPVBQESA-N 247.251 -0.785 50 20 BBGD O=C(O)c1ccc(NNC(=O)c2cnn[nH]2)nc1 1610835815 WYZLBGVEFMIDKW-UHFFFAOYSA-N 248.202 -0.345 50 20 BBGD C=CCCO[C@H](C)C(=O)NNC(=O)CN(C)C 113424274 DZZKHQABRRDXBO-SECBINFHSA-N 243.307 -0.323 50 20 BBGD CC(=O)Nc1nc2ccc(B(O)O)cc2s1 216774898 MRYJBACRDNHQLV-UHFFFAOYSA-N 236.061 -0.066 50 20 BBGD CCNC(=O)N(C)NC(=O)[C@H](C)CC(=O)OC 272661694 HRGGNJLVPIKDRT-SSDOTTSWSA-N 245.279 -0.122 50 20 BBGD C=CCNC(=S)NNC(=O)CC(=O)OCC 298657112 NPPSYFQHWWISKH-UHFFFAOYSA-N 245.304 -0.379 50 20 BBGD CC(C)CS(=O)(=O)CCC(=O)NN 393724305 SJMXVEPFNFLDFG-UHFFFAOYSA-N 208.283 -0.563 50 20 BBGD COC(=O)NNC(=O)c1cncc(O)c1 495449257 VGCHLMZXNBCHJG-UHFFFAOYSA-N 211.177 -0.212 50 20 BBGD O=C1NCCC[C@@H]1COc1ccc(B(O)O)cc1 584909521 FPIDQCGPCXFTPS-SECBINFHSA-N 249.075 -0.729 50 20 BBGD CC[C@@H](C#N)NC(=O)c1ccc(B(O)O)cc1 584936043 CVMDDBDNOQPLCT-JTQLQIEISA-N 232.048 -0.602 50 20 BBGD OB(O)c1ccccc1CNC[C@H](O)C(F)F 585039984 XYSMJTIFUILFBL-VIFPVBQESA-N 245.034 -0.918 50 20 BBGD CCN1CCC[C@H](NC(=O)NN)C1=O 722344421 NSIJXXROWNEYHK-LURJTMIESA-N 200.242 -0.830 50 20 BBGD COCC(=O)NN=Cc1cn(C)nc1O 814223332 GMXRQYDIXVTBOE-UHFFFAOYSA-N 212.209 -0.778 50 20 BBGD COCCN(C)NC(=O)C1(CN(C)C)CC1 822842903 DDHGBGTZANWWGD-UHFFFAOYSA-N 229.324 -0.062 50 20 BBGD CCN(CCO)NC(=O)c1csc(O)n1 823874222 OMCVXQDBCVIUJY-UHFFFAOYSA-N 231.277 -0.192 50 20 BBGD COC/C(C)=C/C(=O)NN(C)[C@H](C)CO 823913255 QQZFXLVSTJSICC-WHXYTISESA-N 216.281 -0.077 50 20 BBGD Cn1ncnc1C=NNC(=O)NCC1CC1 842524794 IBJYCWGDDJCEPN-UHFFFAOYSA-N 222.252 -0.142 50 20 BBGD CC(C)C(=O)NNC(=O)[C@H](C)[C@@H]1CCC(=O)N1 858143619 PESNZTLYHWBXQA-SFYZADRCSA-N 241.291 -0.296 50 20 BBGD CC(C)(O)CC(=O)NNC(=O)c1cn[nH]c1 862470117 INNDHERYTMJNJY-UHFFFAOYSA-N 226.236 -0.668 50 20 BBGD O=C1CC[C@@H](C(=O)NN=Cc2ccccn2)N1 863145421 BUCCRFORZUQXKI-VIFPVBQESA-N 232.243 -0.190 50 20 BBGD OB(O)c1cccc(CNCCOCCF)c1 863892415 WFISLJPXDPEAQI-UHFFFAOYSA-N 241.071 -0.558 50 20 BBGD C[C@H](C(=O)NNC(=O)c1ccccn1)N(C)C 873723272 XHHVUZBQIAGNFE-MRVPVSSYSA-N 236.275 -0.207 50 20 BBGD C=CCn1cc(C(=O)NN(C)C[C@H](C)O)nn1 910145914 FUKQDTGGQZYZTN-QMMMGPOBSA-N 239.279 -0.579 50 20 BBGD CCOC(=O)C(C)(C)C(=O)NN(C)C[C@@H](C)O 910154825 GZBIGYYMPNWLAN-MRVPVSSYSA-N 246.307 -0.081 50 20 BBGD C[C@H](O)CN(C)NC(=O)CNCC(F)(F)F 910166086 SAPZVGLLSVYQDN-LURJTMIESA-N 243.229 -0.518 50 20 BBGD C#CCNC(=O)NNC(=O)C1CCOCC1 1262031217 KOUIABSLTKXPFN-UHFFFAOYSA-N 225.248 -0.623 50 20 BBGD CN(C)C(=O)NNC(=O)CCN1CCOC1=O 1318159919 FGYBTPJUPYUPRL-UHFFFAOYSA-N 244.251 -0.869 50 20 BBGD COC(=O)C(=O)NN=C1C[C@H](C)O[C@@H]1C 1325317565 CQGGZJTYRLAKCE-NTSWFWBYSA-N 214.221 -0.171 50 20 BBGD COC(=O)C(=O)NN=C1CO[C@H](C)C1 1345929900 HWBNMRLAKTUSET-RXMQYKEDSA-N 200.194 -0.560 50 20 BBGD CC(=O)NNC(=O)[C@@]1(C)C[C@H](N)CCO1 1575015269 PMSZMMXNPAPXQN-VXNVDRBHSA-N 215.253 -0.950 50 20 BBGD CC[C@H]1CCC[C@@H]1NC(=O)NNC(=O)C(=O)O 1595457973 VQQKBJYQXKUDIG-BQBZGAKWSA-N 243.263 -0.020 50 20 BBGD COCCN(C)CCNC(=O)CCl 61379816 WHCLZZVMKLDKPC-UHFFFAOYSA-N 208.689 -0.080 50 20 BBGD CC(C)(C)OC(=O)NNC(=O)[C@H]1CCC(=O)N1 264415899 RKWJKMBZBWKHRW-ZCFIWIBFSA-N 243.263 -0.179 50 20 BBGD O=C1NC(=O)[C@H]2CN(C(=O)CCCl)CC[C@@H]12 409426765 GDIKUNCOGAIPSD-RQJHMYQMSA-N 244.678 -0.264 50 20 BBGD COC(=O)N(C)NC(=O)[C@H](C)n1cncn1 496321916 GUSNPRWKWZOBCV-LURJTMIESA-N 227.224 -0.432 50 20 BBGD COC1(C)CN(C(=O)c2ccc(B(O)O)cc2)C1 584969258 SODLMFRGXIZHPC-UHFFFAOYSA-N 249.075 -0.773 50 20 BBGD CC[C@H](O)CCCNCc1ccc(B(O)O)o1 585024888 GJODZHIFFZWBKU-VIFPVBQESA-N 241.096 -0.400 50 20 BBGD C[C@@H]1CN(C)C[C@@H]1NCc1cccc(B(O)O)c1 585029566 AWQNBMVYSHWVLW-MFKMUULPSA-N 248.135 -0.594 50 20 BBGD C[C@@H](CNCc1ccc(B(O)O)cc1)N(C)C 585032235 DEJYJWUNGBJIGA-JTQLQIEISA-N 236.124 -0.594 50 20 BBGD O=C(NCB(O)O)c1nccc2ccccc12 585061268 OKXRMUMIRYAKLF-UHFFFAOYSA-N 230.032 -0.023 50 20 BBGD CNC(=O)NNC(=O)C[C@](C)(O)C1CC1 755646882 ZVTFZXBTDHHZIN-VIFPVBQESA-N 215.253 -0.502 50 20 BBGD CC(C)NC(=O)C(=O)NNC(=O)C1=CCCC1 760304944 OANUYFBWGZRJHZ-UHFFFAOYSA-N 239.275 -0.231 50 20 BBGD COC(=O)CCCC(=O)NNC(C)=O 764449711 HPEJQZYNZWKYDB-UHFFFAOYSA-N 202.210 -0.503 50 20 BBGD COC[C@@H](C)NC(=O)NNC(=O)c1ccc[nH]1 770326982 KSBXKBVWJKSOCZ-SSDOTTSWSA-N 240.263 -0.006 50 20 BBGD NC(=O)C1(C(=O)NN=c2cc[nH]cc2)CC1 780760841 FDQVTUPYOBYVTD-UHFFFAOYSA-N 220.232 -0.788 50 20 BBGD CCNC(=O)NNC(=O)Cc1c(C)n[nH]c1C 786827721 OSLSCSPFNDBTOY-UHFFFAOYSA-N 239.279 -0.081 50 20 BBGD O=C(NN=C[C@@H]1CCCOC1)C(=O)NC1CC1 814777985 LITHPDXBOBSLJX-QMMMGPOBSA-N 239.275 -0.206 50 20 BBGD O=C(Cc1cc[nH]n1)NN=C1CC(C(=O)O)C1 814955758 WGSLRZQYUGEPQW-UHFFFAOYSA-N 236.231 -0.081 50 20 BBGD CNC(=O)NCCC(=O)NNc1cnccn1 816173473 GOGVRYQFIQHAIG-UHFFFAOYSA-N 238.251 -0.761 50 20 BBGD COCCN(C)NC(=O)CCCn1cncn1 816562183 BRUADNJRIQSMIO-UHFFFAOYSA-N 241.295 -0.332 50 20 BBGD COCc1nc(C(=O)NN(C)C2CC2)no1 818096761 WJZGVPFNUZBGOD-UHFFFAOYSA-N 226.236 -0.045 50 20 BBGD N#CSCCCNC(=O)[C@@H]1CC(=O)N1 854366680 DOYGKJNCMMGSBJ-LURJTMIESA-N 213.262 -0.405 50 20 BBGD CCOCCC(=O)NNC(=O)c1cn[nH]c1 862471933 QSTTZKHOJJGPLA-UHFFFAOYSA-N 226.236 -0.403 50 20 BBGD Cc1cc(=NNC(=O)[C@H]2CCNC2=O)cc[nH]1 862515053 HFIXZBIFHRNZPK-VIFPVBQESA-N 234.259 -0.609 50 20 BBGD C[C@H](O)CN(C)NC(=O)[C@H]1CCO[C@@H]1C 910156662 VRYIMTDJAKJIGM-YIZRAAEISA-N 216.281 -0.245 50 20 BBGD N#CSCCCNC(=O)Cn1ncnn1 1123872832 OYXNKLTZQBKSJL-UHFFFAOYSA-N 226.265 -0.606 50 20 BBGD CN(C)S(=O)(=O)c1cc(C(=O)NN)co1 1327107180 MSLJWXVBBCRVIR-UHFFFAOYSA-N 233.249 -0.867 50 20 BBGD N#Cc1cccc(NNC(=O)C2(O)CNC2)c1 1574249358 HLHUIVYAEIMLBX-UHFFFAOYSA-N 232.243 -0.664 50 20 BBGD Cc1cc(C(=O)NNC(=O)[C@@H]2CCN2)c(C)[nH]1 1579565417 LSOQTDCQKSXZCU-VIFPVBQESA-N 236.275 -0.246 50 20 BBGD CC(=O)NNC(=O)Nc1cc(C(=O)O)n(C)c1 1589150049 IZMXUVQQRAVLSJ-UHFFFAOYSA-N 240.219 -0.104 50 20 BBGD Cn1cc(/C=C(\C#N)C(=O)O)c(=O)n(C)c1=O 1600946666 NYSHPRBTSRXGGX-ZZXKWVIFSA-N 235.199 -0.924 50 20 BBGD CC[C@@H]1C(=O)NCCN1C(=O)CCl 82477081 UHELYJHBNSGXPU-ZCFIWIBFSA-N 204.657 -0.038 50 20 BBGD Cc1cc(C(=O)NNC(=O)c2ccnn2C)[nH]n1 151202652 UVEIKMWILXFKEO-UHFFFAOYSA-N 248.246 -0.474 50 20 BBGD CN(NC(=O)C[C@@H]1CCCCO1)C(N)=O 182642512 POOADNVSVGVION-ZETCQYMHSA-N 215.253 -0.013 50 20 BBGD CNC(=O)NCCC(=O)NNc1ccncc1 293353521 CCUVFUBPOSHEEZ-UHFFFAOYSA-N 237.263 -0.156 50 20 BBGD COC(=O)NNS(=O)(=O)c1ccco1 492371454 PCBINSHMSDLBGM-UHFFFAOYSA-N 220.206 -0.171 50 20 BBGD C[C@@H]1CCCN1C(=O)c1cccc(B(O)O)c1 584954939 QCSZIANTSFZVRA-SECBINFHSA-N 233.076 -0.009 50 20 BBGD Cc1nonc1C(=O)NNC(=O)c1ccccn1 736667754 QBBAMJQGBOKEIU-UHFFFAOYSA-N 247.214 -0.152 50 20 BBGD O=C(CO)NNC(=O)Cc1c[nH]c2ncccc12 777781147 IOGUMLFAANIRIS-UHFFFAOYSA-N 248.242 -0.755 50 20 BBGD CNC(=O)NNC(=O)[C@@H]1[C@H]2CCCO[C@H]21 780907008 IGYVWQDXSMABBL-FSDSQADBSA-N 213.237 -0.628 50 20 BBGD CC(=O)NCC(=O)NNc1ncccc1F 804213248 IRPJIBVBKMDFDF-UHFFFAOYSA-N 226.211 -0.200 50 20 BBGD CNC(=O)NN=Cc1cnc(N(C)C)n1C 811640528 UYIUPPOCODBIDC-UHFFFAOYSA-N 224.268 -0.251 50 20 BBGD C[C@@H]1COC(=O)C1=NNC(=O)Cc1cc[nH]n1 814957480 HXSQTLHDFFFXGK-ZCFIWIBFSA-N 236.231 -0.383 50 20 BBGD C[C@@H]1C[C@H]1C(=O)NNC(=O)c1cccnn1 863866026 GQHQMOOPHJVUGJ-RNFRBKRXSA-N 220.232 -0.106 50 20 BBGD OC[C@@H](NCc1ccccc1B(O)O)C1CC1 877045272 UPLZJSGZSWASBN-GFCCVEGCSA-N 235.092 -0.773 50 20 BBGD CC[C@@H](O)[C@H](C)C(=O)NN(C)C(=S)NC 909991654 FXEBDQZBAXFEAM-NKWVEPMBSA-N 233.337 -0.139 50 20 BBGD Cn1nncc1NNC(=O)[C@H]1CCCO1 1117723804 NJPKOGFHVCWUHM-ZCFIWIBFSA-N 211.225 -0.563 50 20 BBGD CC[C@H](C)CCNC(=O)NNC(=O)C(=O)OC 1118552059 QGDLERSCUSSWJL-ZETCQYMHSA-N 245.279 -0.074 50 20 BBGD CC(=NNC(=O)CCO)c1cnn(C)c1 1319365012 NBAJRYZPVMYLOF-UHFFFAOYSA-N 210.237 -0.357 50 20 BBGD CC(=O)NNC(=O)COCc1cccnc1 1330105062 QZQIGBSJTFNKHK-UHFFFAOYSA-N 223.232 -0.235 50 20 BBGD CCN(CCO)NC(=O)C[C@@H]1CCOC1 1336011129 OSLBIDYDXLPIQM-VIFPVBQESA-N 216.281 -0.242 50 20 BBGD COc1cc(C=NNC(=O)C(N)=O)ccc1C#N 1344574682 POFYWWMAUBOIJG-UHFFFAOYSA-N 246.226 -0.498 50 20 BBGD CC(=O)NNC(=O)C1(F)CCOCC1 1351736412 FPVDTVJVDUTZKJ-UHFFFAOYSA-N 204.201 -0.328 50 20 BBGD CC(=O)NNC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)O)O1 1589150227 NGRSLABIJDLQAV-QPPQHZFASA-N 230.220 -0.968 50 20 BBGD Cc1cc(C(=O)NNC(=O)CO)oc1C(=O)O 1607580135 KBWYNBXJIMOKMO-UHFFFAOYSA-N 242.187 -0.960 50 20 BBGD CC(C)CCC(=O)NNC(=O)[C@H]1CCC(=O)N1 263886128 SWCLKXMRHCBZHU-MRVPVSSYSA-N 241.291 -0.151 50 20 BBGD CSCCNC(=S)NNC(C)=O 269884832 ZZEPYILTGWWLBL-UHFFFAOYSA-N 207.324 -0.135 50 20 BBGD CCN(CC)C(=O)N1CC[C@@H](B(O)O)C1 585058994 WPPMXUYSNVPERB-MRVPVSSYSA-N 214.074 -0.003 50 20 BBGD COc1ccc(F)cc1CC(=O)NCB(O)O 585062939 PYZMPHFAMNDFPG-UHFFFAOYSA-N 241.027 -0.495 50 20 BBGD CN1CC[C@H](C(=O)NNC(=O)c2ccccn2)C1 729509351 IVDHYPFXRKJNEX-VIFPVBQESA-N 248.286 -0.206 50 20 BBGD CNC(=O)C1(C(=O)NNc2ncccn2)CCC1 729967865 UYYZNFRQUGEDHB-UHFFFAOYSA-N 249.274 -0.164 50 20 BBGD COCC(CC(C)C)=NNC(=O)C(N)=O 730722691 SUYPBBUJRLQVGJ-UHFFFAOYSA-N 215.253 -0.364 50 20 BBGD Cc1cc(C(=O)NNC(=O)c2[nH]nnc2C)n[nH]1 790004477 ZMKYNGIVFYZEBW-UHFFFAOYSA-N 249.234 -0.781 50 20 BBGD C[C@@H]1C(=O)CC[C@@H]1CC(=O)NNC(=O)CO 795237387 CRMGKZKEXKNGIY-NKWVEPMBSA-N 228.248 -0.869 50 20 BBGD Cc1n[nH]cc1C(=O)NNC(=O)COC(F)F 796248432 QQQOMBRPPAYFGH-UHFFFAOYSA-N 248.189 -0.282 50 20 BBGD CO[C@@](C)(C(=O)NNC(=O)C(C)(C)O)C1CC1 813529608 DOZUFDDHFGUSHG-LLVKDONJSA-N 244.291 -0.280 50 20 BBGD Cn1ncc(C=NNC(=O)Cc2cccnc2)n1 814837626 DPELXLRHYLALKM-UHFFFAOYSA-N 244.258 -0.097 50 20 BBGD O=C(CN1CCCCC1=O)NNc1nc[nH]n1 816632458 JURJPBMFNYRFCG-UHFFFAOYSA-N 238.251 -0.740 50 20 BBGD O=C(O)CCNC(=O)NNc1ncccn1 819492653 XHXSDHGQOKMQII-UHFFFAOYSA-N 225.208 -0.423 50 20 BBGD CCNC(=O)N(C)NC(=O)[C@@H]1CCCN1C=O 831858394 OSLDREKFZOIIIG-QMMMGPOBSA-N 242.279 -0.700 50 20 BBGD CC(C)Cn1nccc1C(=O)NNC(=O)CO 844136570 GIYGUIIIDNVWPU-UHFFFAOYSA-N 240.263 -0.708 50 20 BBGD CC[C@]1(C(=O)NNc2ccncn2)CCNC1=O 868646579 UFFIGBVLWXWHJG-NSHDSACASA-N 249.274 -0.164 50 20 BBGD O=C1CC[C@@H](C(=O)NNc2ccc(F)cn2)N1 874647833 UFKFHPFSRZCYTJ-ZETCQYMHSA-N 238.222 -0.058 50 20 BBGD C[C@@H](O)CN(C)NC(=O)c1ccc2nn[nH]c2c1 910179742 NGYBUVOIZDMDCJ-SSDOTTSWSA-N 249.274 -0.085 50 20 BBGD CNC(=O)NNS(=O)(=O)c1ccc(C#N)o1 1117531028 DLWNLHMGFJQJBE-UHFFFAOYSA-N 244.232 -0.726 50 20 BBGD N#CSCCCNC(=O)CCn1cnnn1 1332123577 GYSYDLJXIHOSHQ-UHFFFAOYSA-N 240.292 -0.216 50 20 BBGD C[C@H]1C[C@H](C(=O)NNC(=O)CO)CCC1=O 1342320004 KALZUCPPDVGLSQ-NKWVEPMBSA-N 228.248 -0.869 50 20 BBGD Cc1nc(Cl)cc(NNC(=O)C(=O)O)n1 1611238146 APTXSQYPHIRJRM-UHFFFAOYSA-N 230.611 -0.034 50 20 BBGD CC[C@H](C(=O)NNC(C)=O)N1CCCC1=O 266597545 OZOSNRNCQWMEFK-MRVPVSSYSA-N 227.264 -0.445 50 20 BBGD CCOC(=O)C1(C(=O)NNC(=O)N(C)C)CC1 266884332 UHFABSMCHSHBCV-UHFFFAOYSA-N 243.263 -0.368 50 20 BBGD CC1(C(=O)NNc2cccnn2)COC1 272840872 OCUNJGDDGAOHTR-UHFFFAOYSA-N 208.221 -0.044 50 20 BBGD CC(=O)NNC(=O)C12CCCN1CCC2 366866319 BAKZDPNQJYDTSK-UHFFFAOYSA-N 211.265 -0.218 50 20 BBGD Cn1cc(/C=C(/C#N)C(=O)N[C@@H]2CC[C@H]2O)cn1 491087383 XCRWODKKLGOYRW-MTUFZTHRSA-N 246.270 -0.033 50 20 BBGD O=C(N[C@@H]1CC[C@@H]2C[C@@H]21)c1ccc(B(O)O)cc1 584986036 VUJIUPROLOTVPI-ADEWGFFLSA-N 245.087 -0.105 50 20 BBGD OCC[C@@H](NCc1ccc(B(O)O)o1)C1CC1 585025533 WMNFSAAUUJWSQP-SNVBAGLBSA-N 239.080 -0.790 50 20 BBGD C[C@H](CCO)NCc1cccc(B(O)O)c1 585028060 HHZMHFIIZFLONW-SECBINFHSA-N 223.081 -0.773 50 20 BBGD Cc1nc(C)c(C(=O)NCB(O)O)s1 585060918 HROPXTZWWDHZGV-UHFFFAOYSA-N 214.055 -0.498 50 20 BBGD CNC(=O)NNC(=O)[C@@H]1CSCCS1 750997789 ZJTOCJYYZAVWTM-YFKPBYRVSA-N 235.334 -0.205 50 20 BBGD C=CCCO[C@@H](C)C(=O)NNC(=O)C(C)(C)O 787947832 ZYZSBKCIJWXLLP-QMMMGPOBSA-N 244.291 -0.114 50 20 BBGD Cn1cc2c(n1)CCCC2=NNC(=O)CO 794526107 HDJUWBWOOBCBSI-UHFFFAOYSA-N 222.248 -0.431 50 20 BBGD CN(C)C(=O)NN=Cc1cn(C)nc1O 814219720 QOEQLGYPGTXOAS-UHFFFAOYSA-N 211.225 -0.269 50 20 BBGD CCCCNC(=O)NNC(=O)C[C@@H]1CC(=O)N1 823763368 UQHJPIJOWCPKLO-ZETCQYMHSA-N 242.279 -0.605 50 20 BBGD C[C@@H](CO)N(C)NC(=O)CCn1ccnc1 823959798 PQHMWGWOBATOKL-VIFPVBQESA-N 226.280 -0.383 50 20 BBGD COCCCNC(=O)NN=Cc1ncnn1C 842525632 YAAKPPFMOMGGBJ-UHFFFAOYSA-N 240.267 -0.515 50 20 BBGD CS[C@H](C)C(=O)NNC(=O)c1cc[nH]n1 855358978 AFOAFZIJESDGQJ-RXMQYKEDSA-N 228.277 -0.078 50 20 BBGD O=C(NNc1ncncc1F)[C@@]1(O)CCOC1 857511362 LKFRDEHFZUZQME-SECBINFHSA-N 242.210 -0.790 50 20 BBGD CCO[C@@H](C)C(=O)NNC(=O)c1cn[nH]c1 862474924 SZEREROETVKZGG-LURJTMIESA-N 226.236 -0.404 50 20 BBGD CN(C)CC1(C(=O)NNC(=O)N(C)C)CC1 874248757 HZRLZVAQNGUHJQ-UHFFFAOYSA-N 228.296 -0.369 50 20 BBGD CC(=O)NCC(C)(C)C(=O)NN(C)C[C@H](C)O 910139874 FIWFDJABULISTK-QMMMGPOBSA-N 245.323 -0.508 50 20 BBGD COc1cnc(C(=O)NN(C)C[C@@H](C)O)nc1 910145683 VQGBUOOBJLQHPY-SSDOTTSWSA-N 240.263 -0.557 50 20 BBGD CC(=O)CCC(=O)NN(C)C[C@H](C)O 910183647 SAMTYPZXMBSQLQ-QMMMGPOBSA-N 202.254 -0.301 50 20 BBGD CC(=O)NNC(=O)CCOC1CCOCC1 1325551407 BUYBKLYVRMOXNX-UHFFFAOYSA-N 230.264 -0.261 50 20 BBGD Cc1nc(O)[nH]c1C(=O)NNC(=O)NC(C)C 1327608889 TWNBAPPGWXFINN-UHFFFAOYSA-N 241.251 -0.224 50 20 BBGD Cc1cccc(NNC(=O)CCn2cnnn2)n1 1354103234 ONMCJMCQJUCHCR-UHFFFAOYSA-N 247.262 -0.090 50 20 BBGD CC(C)(CNC(=O)CCl)NS(C)(=O)=O 82657613 KRHBGDXNRGAVJQ-UHFFFAOYSA-N 242.728 -0.331 50 20 BBGD COC(=O)NCCCC(=O)NN(C)C(=O)OC 286259684 HJHIRSGNLZITLW-UHFFFAOYSA-N 247.251 -0.148 50 20 BBGD CCOCCNC(=S)NNC(N)=O 308290289 DIXQWLUBUINWFU-UHFFFAOYSA-N 206.271 -0.930 50 20 BBGD CN(C)C(=O)NNC(=O)[C@@H]1C[C@H]2CC[C@H]1O2 733776562 LSBKUVLRNDZQPK-BWZBUEFSSA-N 227.264 -0.144 50 20 BBGD CCC1(C(=O)NNC(=O)NC)COC1 755230691 NFLMVYQJOHCATJ-UHFFFAOYSA-N 201.226 -0.627 50 20 BBGD C[C@H](CO)N(C)CC(=O)NNC(=O)C(C)(C)C 767469226 XLLJZBMMSIYZNV-MRVPVSSYSA-N 245.323 -0.508 50 20 BBGD CCNC(=O)CC(=O)NNc1ncc(F)cn1 780998222 JGOZIQMZTJWHPL-UHFFFAOYSA-N 241.226 -0.415 50 20 BBGD O=C(CC1OCCO1)NNC(=O)NCC1CC1 793206744 JBTNCGXJGHGILR-UHFFFAOYSA-N 243.263 -0.510 50 20 BBGD CCNC(=O)NNC(=O)c1nn(CC)nc1C 815115575 VRZAJVQOPJRJNY-UHFFFAOYSA-N 240.267 -0.430 50 20 BBGD Cc1nn(C)cc1CC(=O)NN(C)[C@@H](C)CO 823917086 DKQSCQKEYOXDCT-QMMMGPOBSA-N 240.307 -0.385 50 20 BBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccon1 843649569 VQSGZTLNTYUTQT-BQBZGAKWSA-N 239.231 -0.139 50 20 BBGD CC[C@H](CO)C(=O)NN(C)C(=S)NC 854922745 PWASCKBGXKBVRR-ZCFIWIBFSA-N 219.310 -0.528 50 20 BBGD COCCN(C)NC(=O)c1ccnc2ccnn12 861657164 OKYQDOKASZMVIE-UHFFFAOYSA-N 249.274 -0.048 50 20 BBGD C#CCN(C(=O)c1ccc(B(O)O)cc1)C1CC1 863884038 WTGQJNIFMNKJRS-UHFFFAOYSA-N 243.071 -0.396 50 20 BBGD CC1=NO[C@@H](C(=O)NN(C)C[C@H](C)O)C1 910145135 QDSDWKHKKYEIOC-JGVFFNPUSA-N 215.253 -0.505 50 20 BBGD N#CC1=CCN(C(=O)Cn2cnnn2)CC1 1116430253 FHMHXPZEPPJBPE-UHFFFAOYSA-N 218.220 -0.645 50 20 BBGD CCS(=O)(=O)NCCCNC(=O)CCl 1116433703 BZQVETDQQTZHLX-UHFFFAOYSA-N 242.728 -0.329 50 20 BBGD Cn1cc(C(=O)NNc2ncncc2F)nn1 1117751154 ZCWAOGSBNJYEKN-UHFFFAOYSA-N 237.198 -0.499 50 20 BBGD CCn1ccc(C(=O)N2CC[C@H](B(O)O)C2)n1 1119598685 VPGBFIPWKXQCKN-QMMMGPOBSA-N 237.068 -0.408 50 20 BBGD Cn1ncc(C(=O)NN=c2cc[nH]cc2)c1N 1321048783 LDCGPROZTTXABK-UHFFFAOYSA-N 232.247 -0.424 50 20 BBGD CCn1cnc(C(=O)NNC(=O)OC)c1 1329490862 HZHGNLZHZLAIQN-UHFFFAOYSA-N 212.209 -0.096 50 20 BBGD CC[C@H](C)CONC(=O)NNC(=O)C(=O)OC 1330174642 NVZWQYZWKXLWFB-LURJTMIESA-N 247.251 -0.533 50 20 BBGD CCN(CCO)NC(=O)C(=O)c1cccn1C 1348955808 QVEFGARTVNBGHA-UHFFFAOYSA-N 239.275 -0.447 50 20 BBGD C[C@H]1COCCC1=NNC(=O)C(=O)O 1609878330 NETRWFNZMJKHEJ-YFKPBYRVSA-N 200.194 -0.400 50 20 BBGD CCC(=O)NNC(=O)[C@H](C)N(CC)CCO 111200508 JQKNKZLHQBWSGE-QMMMGPOBSA-N 231.296 -0.754 50 20 BBGD C#C[C@@H](C)NC(=O)NNC(=O)Cc1ccncc1 186058767 YKUWONNEUZCANL-SECBINFHSA-N 246.270 -0.024 50 20 BBGD NNC(=O)[C@@H]1CCCN(C(=O)N2CCCC2)C1 192505175 ARCIVTQIAFLORK-SECBINFHSA-N 240.307 -0.096 50 20 BBGD Cn1cc(C(=O)NNC(=O)C2CC2)cn1 198352003 YWGCWZSZSMZSBY-UHFFFAOYSA-N 208.221 -0.409 50 20 BBGD CC[C@@H](C(=O)NN(C)C(N)=O)C(=O)OC 276834717 OYWOLTDJDJKNSB-YFKPBYRVSA-N 217.225 -0.773 50 20 BBGD C[C@@H]1OC(=O)N[C@@H]1C(=O)NNC(=O)C1CCC1 495976035 RYZPZFKVXQWOBW-FSPLSTOPSA-N 241.247 -0.569 50 20 BBGD CC(C)(C#N)C(=O)Nc1cccc(B(O)O)c1 584910228 OAXVCHMCYDPFST-UHFFFAOYSA-N 232.048 -0.145 50 20 BBGD CCN(C)C(=O)N1CC[C@H](B(O)O)C1 585056468 OYUXELSBHBWQKG-ZETCQYMHSA-N 200.047 -0.393 50 20 BBGD O=C(/C=C/c1ccc(F)cc1)NCB(O)O 585056976 FWSICYJPKNZZNU-ZZXKWVIFSA-N 223.012 -0.033 50 20 BBGD O=C(O)[C@@H]1C[C@H]1C(=O)NNc1cnccn1 739545718 BMBKYFXPDGLOBU-PHDIDXHHSA-N 222.204 -0.360 50 20 BBGD COC[C@](C)(O)C(=O)NNC(=O)C(C)(C)C 754988339 NSXXVAXMPJXBCT-JTQLQIEISA-N 232.280 -0.423 50 20 BBGD CC(C)(O)C(=O)NNC(=O)CCn1cccc1 768242004 WCVKVUMVEHNHSZ-UHFFFAOYSA-N 239.275 -0.204 50 20 BBGD NC(=O)C(=O)NN=C1CCCc2cccnc21 799104999 YYDLPSWACQAVRA-UHFFFAOYSA-N 232.243 -0.277 50 20 BBGD CNC(=O)CCCC(=O)NN(C)CCOC 808074386 AWZIUYAIKJDDFH-UHFFFAOYSA-N 231.296 -0.488 50 20 BBGD C[C@@H](CO)N(C)NC(=O)c1ccnn1C 823964713 DPOKKDMPDNEGLY-ZETCQYMHSA-N 212.253 -0.623 50 20 BBGD COC[C@@](C)(O)C(=O)NNc1ccncn1 857520763 MVRHMONQQUMCQB-SECBINFHSA-N 226.236 -0.683 50 20 BBGD C#C[C@@H](C)N(C)C(=O)c1ccc(B(O)O)cc1 863882385 YYPKAVIGEHODIY-SECBINFHSA-N 231.060 -0.540 50 20 BBGD CCCNC(=O)NNC(=O)[C@@H]1CCCNC1=O 865023567 HAJINIITKODAHN-SSDOTTSWSA-N 242.279 -0.747 50 20 BBGD O=C(NCC1CC1)NNC(=O)c1cn[nH]c1 920859003 MNMYEJWFXKWJFL-UHFFFAOYSA-N 223.236 -0.236 50 20 BBGD C[C@@H]1Cc2cc(NC(=O)C(=O)NN)ccc2O1 927796514 NNZULXZOUXHPLL-ZCFIWIBFSA-N 235.243 -0.062 50 20 BBGD O=C1CC[C@@H](C(=O)NNC(=O)C2CCC2)N1 1118923135 ARDLAVXYKNJIRO-ZETCQYMHSA-N 225.248 -0.788 50 20 BBGD C[C@H](CO)N(C)NC(=O)CCc1cncnc1 1119105567 RZSHPDDBSDEBMR-SECBINFHSA-N 238.291 -0.247 50 20 BBGD COC(=O)C(=O)NN=Cc1cnc2n1CCC2 1261652205 CRWSRFYHBVIZGD-UHFFFAOYSA-N 236.231 -0.548 50 20 BBGD O=C(CC1CC1)NNC(=O)C(=O)NC1CC1 1317834599 HHDYPAOGFCWRGU-UHFFFAOYSA-N 225.248 -0.788 50 20 BBGD CCNC(=O)NNC(=O)[C@]1(F)CCOC1 1326053672 LWVYQHUUHYWWBP-QMMMGPOBSA-N 219.216 -0.535 50 20 BBGD C=CCCC(=O)NNC(=O)CS(C)(=O)=O 1331834664 RXHATKCWMAVFSR-UHFFFAOYSA-N 234.277 -0.855 50 20 BBGD C[C@H](C(=O)N1CC[C@H](B(O)O)C1)n1cccn1 1348490503 RSXIUAJFOPONCK-BDAKNGLRSA-N 237.068 -0.481 50 20 BBGD CN(CCC(=O)O)S(=O)(=O)CCl 1598480303 LENWWZHQCDLRIF-UHFFFAOYSA-N 215.658 -0.081 50 20 BBGD CCNC(=O)NNC(=O)CCCOC 65189586 QAPPLSVYHIWNAB-UHFFFAOYSA-N 203.242 -0.237 50 20 BBGD O=C(NNC(=O)c1ccccc1O)c1cn[nH]n1 80252050 MGIJELVTZNUKAT-UHFFFAOYSA-N 247.214 -0.415 50 20 BBGD CN(C)C1CN(S(=O)(=O)CCl)C1 307245336 MEQKNKMMOUPKDH-UHFFFAOYSA-N 212.702 -0.242 50 20 BBGD OB(O)c1ccc(OCCOC(F)F)cc1 584911189 ZHILMANWXUSVTJ-UHFFFAOYSA-N 231.991 -0.016 50 20 BBGD CC[C@@](C)(O)CNCc1cccc(B(O)O)c1 585015137 PSTKMEZHNDFWAL-GFCCVEGCSA-N 237.108 -0.383 50 20 BBGD C[C@@H]1CCn2ncc(C(=O)NCB(O)O)c2C1 585062311 GDBSVJWBZPPRSG-SSDOTTSWSA-N 237.068 -0.793 50 20 BBGD CC(C)[C@H](C(=O)N1CC[C@@H](B(O)O)C1)N(C)C 585070325 VOZIZVFDHDSEIL-NXEZZACHSA-N 242.128 -0.352 50 20 BBGD COCC(=O)NNc1ncnc2[nH]cnc12 740746576 QVKBMXAGNCTLOO-UHFFFAOYSA-N 222.208 -0.558 50 20 BBGD CCC(=O)NNC(=O)[C@@H](C)N[C@@H](CO)C1CC1 771805502 HJNPRDDMWVROTN-APPZFPTMSA-N 243.307 -0.707 50 20 BBGD CCNC(=O)N(C)NC(=O)C1(C)COC1 782851119 ILHPCGOGGQXOQR-UHFFFAOYSA-N 215.253 -0.285 50 20 BBGD C[C@@H]1C[C@H](C(=O)NNC(=O)NC2CC2)CO1 784149755 RZACXFBMHRLGNB-RQJHMYQMSA-N 227.264 -0.096 50 20 BBGD C[C@](C#N)(CC(=O)O)C(=O)NNC(=O)C1CC1 819849208 YCYOBFYASZQAJZ-SNVBAGLBSA-N 239.231 -0.452 50 20 BBGD Cc1cc(C(=O)NN(C)C[C@@H](C)O)n(C)n1 821216945 BDMCYICKQFPYFG-MRVPVSSYSA-N 226.280 -0.314 50 20 BBGD CC(=O)N[C@@H](C(=O)NN(C)[C@H](C)CO)C(C)C 823907180 JGUDMADPTZIIBJ-PSASIEDQSA-N 245.323 -0.509 50 20 BBGD C=CCOCC(=O)NNC(=O)[C@H]1CCCCO1 833251528 ZPWSGLIGNKLERQ-SECBINFHSA-N 242.275 -0.095 50 20 BBGD CCO[C@H](C)C(=O)NNC(=O)[C@@H]1CCO[C@H]1C 843648322 XDNNTAMLPIDHTE-DJLDLDEBSA-N 244.291 -0.016 50 20 BBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccon1 843649574 VQSGZTLNTYUTQT-RQJHMYQMSA-N 239.231 -0.139 50 20 BBGD CNC[C@H](C)NC(=O)NNC(=O)C(C)(C)C 851681439 NZUPEPLGIMLZEQ-ZETCQYMHSA-N 230.312 -0.029 50 20 BBGD O=C1NCC[C@@H]1C(=O)NNc1ncccc1F 854415414 IHBFEPPLJIDIBV-LURJTMIESA-N 238.222 -0.200 50 20 BBGD OC[C@H](NCc1cccc(B(O)O)c1)C1CC1 877045758 ZCWQMSCFCURYPH-LBPRGKRZSA-N 235.092 -0.773 50 20 BBGD CCO/C=C(\C#N)C(=O)Nn1ccnn1 908835770 YBGJOXXVPZEGTJ-VOTSOKGWSA-N 207.193 -0.208 50 20 BBGD CCn1ncc(C(=O)NNC(=O)NC)c1C 1118922140 PNTMKQVJAJRLRK-UHFFFAOYSA-N 225.252 -0.215 50 20 BBGD CNC(=O)NNC(=O)[C@@H]1CCC[C@@H]1OC 1262605024 LDOCLWSISXVJEW-RQJHMYQMSA-N 215.253 -0.238 50 20 BBGD CCNC(=O)NNC(=O)c1ccc2nncn2c1 1318164292 IHEIOTOEWMGJMG-UHFFFAOYSA-N 248.246 -0.307 50 20 BBGD COC(=O)NNS(=O)(=O)c1cnn(C)c1C 1324143066 NCALZYCBSXBKMS-UHFFFAOYSA-N 248.264 -0.722 50 20 BBGD Cc1nc[nH]c1C(=O)NNC(=O)N(C)C 1330843807 SZFUIDPKVWBXMH-UHFFFAOYSA-N 211.225 -0.366 50 20 BBGD CC1(C(=O)NNC(=O)[C@H]2CCC(=O)N2)CC1 1331691717 PDSPGUIKLYAOAY-ZCFIWIBFSA-N 225.248 -0.788 50 20 BBGD CC[C@H](F)C(=O)NNC(=O)C(=O)N1CCCC1 1335772708 LPIKWYWFAMOFQP-ZETCQYMHSA-N 245.254 -0.496 50 20 BBGD COC(=O)C(=O)NN=Cc1cnc2cnccn12 1339879161 NZJVKFUIYUZEMM-UHFFFAOYSA-N 247.214 -0.648 50 20 BBGD C[C@H]1CN2CCN1C[C@@H]2C(=O)NN(C)C1CC1 1347193864 HDPAEAHKFGJGEC-GXSJLCMTSA-N 238.335 -0.500 50 20 BBGD CC(C)NC(=S)NNC(=O)[C@H]1CCNC1=O 1347279584 BZTDEVAMINLTSZ-LURJTMIESA-N 244.320 -0.974 50 20 BBGD Cn1cc(-c2nn[nH]n2)c(NC(=O)CCl)n1 1592558685 GIDJUCNTTGHTOA-UHFFFAOYSA-N 241.642 -0.223 50 20 BBGD CCc1nocc1C=NNC(=O)NCC(=O)O 1605880301 NZYGHJCWSGUUQK-UHFFFAOYSA-N 240.219 -0.045 50 20 BBGD NNC(=O)CCN1C(=O)COc2ccccc21 70243754 ZONUVNSCPZAIIB-UHFFFAOYSA-N 235.243 -0.208 50 20 BBGD CN(C)CC(=O)NNC(=O)[C@H]1CCCCO1 157232376 WYVXKVOVRYUHTF-MRVPVSSYSA-N 229.280 -0.736 50 20 BBGD Cn1cncc1C(=O)NNC(=O)[C@@H]1CCCO1 294665842 OHOWKHOKPUZOLO-QMMMGPOBSA-N 238.247 -0.640 50 20 BBGD COC(=O)NCCC(=O)NNC(=O)CC(C)C 491272051 AMFUJTGGSORTTP-UHFFFAOYSA-N 245.279 -0.074 50 20 BBGD CCC(=O)N1CC[C@H](C(=O)NNC(=O)OC)C1 495407199 JBHBJYNNPUGGTG-ZETCQYMHSA-N 243.263 -0.368 50 20 BBGD CCCN(C)CC(=O)NNC(=O)C(C)(C)O 768245519 CICJASRLIQAPDX-UHFFFAOYSA-N 231.296 -0.754 50 20 BBGD CN(NC(=O)[C@@H](O)C(C)(C)C)C(N)=O 778414519 FJRVOTLGWJRANQ-RXMQYKEDSA-N 203.242 -0.565 50 20 BBGD COCC(=O)NN=Cc1c(C)cnn1C 794919246 TZQGPCRNYLQELV-UHFFFAOYSA-N 210.237 -0.175 50 20 BBGD CCN(CCO)NC(=O)c1cc(C)ncn1 823870046 WVFSAUPKFXFGSY-UHFFFAOYSA-N 224.264 -0.256 50 20 BBGD CCNC(=O)N(C)NC(=O)CCC(=O)O 842650812 KRDFXFNZTXPZTG-UHFFFAOYSA-N 217.225 -0.456 50 20 BBGD CNC[C@@H](C)NC(=O)NNc1ncccn1 851682430 VSTFVERGJHKRAD-SSDOTTSWSA-N 224.268 -0.289 50 20 BBGD Cc1cc(NNC(=O)[C@H]2CC[C@@H]2C(N)=O)ncn1 857126934 HFNJDRDXFVQUOT-YUMQZZPRSA-N 249.274 -0.260 50 20 BBGD C[C@@H]1COCCC1=NNC(=O)[C@H]1CCC(=O)N1 863153094 MNVKHMZFYSUMJS-VXNVDRBHSA-N 239.275 -0.206 50 20 BBGD C#C[C@@H](CC)NCc1cccc(B(O)O)c1 863889676 HLODKZLFGQDNHC-LBPRGKRZSA-N 217.077 -0.132 50 20 BBGD CC(C)C(=O)NNC(=O)[C@H]1CCCNC1=O 864490372 DCMKCJFUBBJMOW-ZETCQYMHSA-N 227.264 -0.684 50 20 BBGD CO[C@@H](C)C(=O)NNC(=O)Cc1cc(C)[nH]n1 869012188 JNVQBSWFHOJPIK-ZETCQYMHSA-N 240.263 -0.557 50 20 BBGD C[C@H](O)CN(C)NC(=O)[C@@H]1CCCCO1 910160415 HXYMWTIMEPEUHQ-IUCAKERBSA-N 216.281 -0.101 50 20 BBGD CC(=O)N[C@H](C(=O)NN(C)C[C@H](C)O)C(C)C 910176697 DKDQZMJDZLMBQA-WPRPVWTQSA-N 245.323 -0.509 50 20 BBGD CC(C)S(=O)(=O)CC(=O)NNC(=O)C1CC1 917537390 JXLAIPWGELPWHT-UHFFFAOYSA-N 248.304 -0.633 50 20 BBGD CCc1nc(C(=O)N2CC[C@H](B(O)O)C2)co1 1118914946 DRCKQWUOXOVCIP-ZETCQYMHSA-N 238.052 -0.074 50 20 BBGD O=C(Cc1cccnc1)NNC(=O)c1cnn[nH]1 1318320694 NIFAZMLWFFVVGW-UHFFFAOYSA-N 246.230 -0.797 50 20 BBGD CNC(=O)NNC(=O)c1cnc2n1CCCC2 1321017581 OXPKETSFNRXSCL-UHFFFAOYSA-N 237.263 -0.207 50 20 BBGD CC(C)C(=O)NNC(=O)NCC[S@@](C)=O 1321894484 XTQXTYIUGGYCFD-OAHLLOKOSA-N 235.309 -0.649 50 20 BBGD O=C(NNC(=S)NC1CC1)c1ncccn1 1348511476 QPLLWOCMHXJCNY-UHFFFAOYSA-N 237.288 -0.252 50 20 BBGD COC(=O)[C@H]1CCCC(=NNC(=O)C(=O)O)C1 1598787442 MGGPSTXOJXDOMH-LURJTMIESA-N 242.231 -0.094 50 20 BBGD CCNC(=O)NNC(=O)C[C@@H]1CCCO1 49164672 YTHUTIGKJFATLO-ZETCQYMHSA-N 215.253 -0.094 50 20 BBGD Cn1cc(C(=O)NNC(=O)c2cc[nH]c2)cn1 117820560 WVSVUOMWGARUBG-UHFFFAOYSA-N 233.231 -0.177 50 20 BBGD COC(=O)NCCCC(=O)NNC(=O)C1CC1 264413329 GBTKDKKACAFERV-UHFFFAOYSA-N 243.263 -0.320 50 20 BBGD CN(CCCO)S(=O)(=O)CCl 300754330 IYZPHAMETVJJMS-UHFFFAOYSA-N 201.675 -0.173 50 20 BBGD CCOC(=O)NNC(=O)C[C@H]1CCCC(=O)N1 367974485 UDWBLPVECOZPTP-SSDOTTSWSA-N 243.263 -0.178 50 20 BBGD CCN(C(=O)c1cccc(B(O)O)c1)C1CC1 584943839 OXXRMTCMHYERBY-UHFFFAOYSA-N 233.076 -0.009 50 20 BBGD Cc1cccc(CS(=O)(=O)NCB(O)O)c1 585056195 QJMRONDVOJUFMV-UHFFFAOYSA-N 243.093 -0.574 50 20 BBGD O=C(NCB(O)O)c1nc(Cl)cs1 585062009 BOTFOXKVQGQLON-UHFFFAOYSA-N 220.446 -0.462 50 20 BBGD CS(=O)(=O)[C@@H]1CCCCC1=NNC(=O)CO 776779710 QBFZNDRDFMIDNY-MRVPVSSYSA-N 248.304 -0.562 50 20 BBGD O=C(CO)NNc1ccc2c(=O)[nH]ccc2c1 803429868 LXZZTCQYDYBVKL-UHFFFAOYSA-N 233.227 -0.037 50 20 BBGD CC(=O)NNC(=O)[C@@](C)(O)C1CCC1 813363678 PYVHQWLIPVOUAL-VIFPVBQESA-N 200.238 -0.295 50 20 BBGD COC(=O)NC(C)(C)C(=O)NN(C)[C@H](C)CO 823959477 JIQXKYQVSGXHKO-SSDOTTSWSA-N 247.295 -0.535 50 20 BBGD COCCN(C)NC(=O)[C@@H](O)C1CC1 854412814 MXLUFDDZUPVRTR-QMMMGPOBSA-N 202.254 -0.633 50 20 BBGD Cc1cccc(NNC(=O)[C@@H]2CC(=O)N2)n1 862519551 JTZMNHJOGONRIF-ZETCQYMHSA-N 220.232 -0.278 50 20 BBGD C[C@H]1C[C@H]1C(=O)NNC(=O)c1cccnn1 863866025 GQHQMOOPHJVUGJ-NKWVEPMBSA-N 220.232 -0.106 50 20 BBGD Cc1nc(C)c(C(=O)NN(C)C[C@H](C)O)[nH]1 910144279 HIEKFFCTACACJG-LURJTMIESA-N 226.280 -0.016 50 20 BBGD C[C@@H](O)CN(C)NC(=O)Cc1ccon1 910163002 NCFDSNPHFGTRJC-SSDOTTSWSA-N 213.237 -0.439 50 20 BBGD C[C@H](C(=O)NN(C)C[C@@H](C)O)c1cnccn1 910184556 SZODBGKPQIYINS-BDAKNGLRSA-N 238.291 -0.076 50 20 BBGD CC(=O)N[C@H](C)C(=O)NNC(=O)C1CCCC1 914844854 CPUADZAMTWAXAZ-SSDOTTSWSA-N 241.291 -0.151 50 20 BBGD COC(=O)C(=O)NN=Cc1cncs1 1253155262 FZNUUCYWAOCLFB-UHFFFAOYSA-N 213.218 -0.234 50 20 BBGD CCNC(=O)NNC(=O)CCc1ccncn1 1321924296 IDYXEKPISICUII-UHFFFAOYSA-N 237.263 -0.241 50 20 BBGD C[C@@]1(C(=O)NNc2ncccn2)CCNC1=O 1329818986 MMQGIPCTIIEQIS-SNVBAGLBSA-N 235.247 -0.554 50 20 BBGD COC(=O)NNC(=O)CCCCCNC(N)=O 1337181047 IPHZPRMCLGQTNH-UHFFFAOYSA-N 246.267 -0.398 50 20 BBGD O=C(NNC(=O)N1CCOCC1)C1CC1 53919165 COLOBCASLRGNIH-UHFFFAOYSA-N 213.237 -0.531 50 20 BBGD CN(C)S(=O)(=O)NNC(=O)c1cccn1C 112682819 ONKOHAMAGUWLCO-UHFFFAOYSA-N 246.292 -0.934 50 20 BBGD COc1ccnc(NNC(=O)C(C)(C)O)n1 274985957 KGAPYBIOIZWZQL-UHFFFAOYSA-N 226.236 -0.301 50 20 BBGD C#CCO[C@@H](C)C(=O)NNC(=O)c1ccccn1 294279088 SWYMOXDLUVFBJH-VIFPVBQESA-N 247.254 -0.119 50 20 BBGD CC[C@](C)(CNCc1ccc(B(O)O)o1)OC 585043646 PYCZEUYYMAZXEW-LLVKDONJSA-N 241.096 -0.136 50 20 BBGD O=C(NN=C1CCOC1)C(=O)N1CCCC1 731927024 XLEPAPOUHYJEDY-UHFFFAOYSA-N 225.248 -0.499 50 20 BBGD CNC(=O)NNC(=O)[C@H](NC(=O)O)C(C)C 737543259 OPCFRBIEBIVXQW-RXMQYKEDSA-N 232.240 -0.761 50 20 BBGD CCNC(=O)NNC(=O)c1cccnc1O 751370485 DVQUXSRNDOUQID-UHFFFAOYSA-N 224.220 -0.249 50 20 BBGD CN(NC(=O)[C@@H]1CCCOC1)C(N)=O 770438156 KRCUYSUAOPLYIF-ZCFIWIBFSA-N 201.226 -0.545 50 20 BBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)C(C)(C)O 772069255 LTCVZMFYHCOMNJ-ZCFIWIBFSA-N 246.263 -0.754 50 20 BBGD C[C@@H](O)CN(C)CC(=O)NNC(=O)C(C)(C)C 772775720 KFHWSUWCHQVSIK-MRVPVSSYSA-N 245.323 -0.508 50 20 BBGD Cc1cnc(C(=O)NN(C)C[C@H](C)O)cn1 821218237 VZJVQGRRGCTQES-QMMMGPOBSA-N 224.264 -0.258 50 20 BBGD Cc1nccn1CC(=O)NN(C)[C@H](C)CO 823918000 PQOZPTHYMMWPMA-MRVPVSSYSA-N 226.280 -0.465 50 20 BBGD C[C@@H](CO)N(C)NC(=O)C(=O)C(C)(C)C 823960266 YUHWBYHFZYSUKO-ZETCQYMHSA-N 216.281 -0.055 50 20 BBGD CO[C@@H](CC(C)C)C(=O)NNC(=O)CN(C)C 842232515 XSEJQAKIMJEYGO-VIFPVBQESA-N 245.323 -0.244 50 20 BBGD COCCCNC(=S)N(C)NC(=O)[C@@H](C)O 854283442 WJHJPFCUFSKRFX-SSDOTTSWSA-N 249.336 -0.759 50 20 BBGD CCN(CC(=O)NN(C)C(=S)NC)C1CC1 854922641 DWVZIARGYKGJEA-UHFFFAOYSA-N 244.364 -0.062 50 20 BBGD O=C(NNc1ncncc1F)[C@]1(O)CCOC1 857511363 LKFRDEHFZUZQME-VIFPVBQESA-N 242.210 -0.790 50 20 BBGD C[C@H]1CCN1C(=O)NNC(=O)[C@@H]1CCC(=O)N1 883737911 MXFAKXKTDFZOOJ-BQBZGAKWSA-N 240.263 -0.900 50 20 BBGD COC(=O)C[C@@H](C)C(=O)NN(C)C[C@@H](C)O 910165043 DTRFDWCTWHTJEU-HTQZYQBOSA-N 232.280 -0.471 50 20 BBGD CN(C)CC(=O)NNC(=O)CCc1cn[nH]c1 1261841102 FGQIPDRIDJWXNK-UHFFFAOYSA-N 239.279 -0.949 50 20 BBGD CC(=NNC(=O)C(N)=O)c1cnn(C(C)C)c1 1318091647 MBHQPHGFJUUMEO-UHFFFAOYSA-N 237.263 -0.211 50 20 BBGD C[C@@H](C(=O)NNC(=O)CO)n1cccc1 1320967725 OZBZJNNGZHRJIE-ZETCQYMHSA-N 211.221 -0.811 50 20 BBGD C/C(C#N)=C/Cn1cnc(-c2nn[nH]n2)cc1=O 1573559003 UTPGWCHMHOKHDR-UQCOIBPSSA-N 243.230 -0.107 50 20 BBGD O=C(O)C1(C(=O)NNc2cnccn2)CC1 1601702783 PNSRNRZWMUNNAG-UHFFFAOYSA-N 222.204 -0.216 50 20 BBGD CCOCC(C)=NNC(=O)NCC(=O)O 1610034792 UJLGUBVTHZRIMY-UHFFFAOYSA-N 217.225 -0.217 50 20 BBGD COC(=O)NNC(=O)C(=O)N1CCC[C@@H](C)C1 282993117 QMIJLFLSZPRCNO-SSDOTTSWSA-N 243.263 -0.368 50 20 BBGD C=CCN=c1[nH]cc(C(=O)NNC(C)=O)s1 390213798 WMTHJBLFBZGSLN-UHFFFAOYSA-N 240.288 -0.056 50 20 BBGD N#CCCCC(=O)Nc1cccc(B(O)O)c1 584912899 XKFIVHMICOCDOF-UHFFFAOYSA-N 232.048 -0.001 50 20 BBGD C[C@H]1CCCN1C(=O)c1ccc(B(O)O)cc1 584954379 KOYUYHBVESOIJJ-VIFPVBQESA-N 233.076 -0.009 50 20 BBGD CC(C)C(=O)NNS(=O)(=O)N(C)CC1CC1 737757176 VNCGPBFCPUOQSD-UHFFFAOYSA-N 249.336 -0.150 50 20 BBGD COCC(=O)NNC(=S)NCCCN(C)C 761839491 VUPPODBPNQNPAJ-UHFFFAOYSA-N 248.352 -0.920 50 20 BBGD O=C(CCN1CCCC1=O)NN=c1cc[nH]cc1 780761800 CMWSZMNMSYNKOK-UHFFFAOYSA-N 248.286 -0.041 50 20 BBGD Cn1ncc(C(=O)NNC(=O)CC2CC2)c1N 819123200 UAYOJWNLRWNRDN-UHFFFAOYSA-N 237.263 -0.437 50 20 BBGD CN(NC(=O)[C@]1(O)CCOC1)C1CC1 819654037 VUGWSKXMTFUBKE-VIFPVBQESA-N 200.238 -0.737 50 20 BBGD CNC(=O)NNC(=O)[C@H]1CC(C)=NO1 823429733 DCHHGYWQBDANPO-RXMQYKEDSA-N 200.198 -0.889 50 20 BBGD C=C[C@@H](C)ONC(=O)NNC(=O)COCC 845634804 BWZBZTGIFDMNGU-SSDOTTSWSA-N 231.252 -0.141 50 20 BBGD COCCN(C)NC(=O)c1ccncn1 848377804 CFZFXHJSIQEWBZ-UHFFFAOYSA-N 210.237 -0.300 50 20 BBGD CCNC(=O)N(C)NC(=O)CCNC1CC1 848427516 YFPXDDCKEJMTCU-UHFFFAOYSA-N 228.296 -0.179 50 20 BBGD CC(C)(C)OC(=O)NNC(=O)[C@H]1CCNC1=O 854162623 PUGDODLSUBOWRT-LURJTMIESA-N 243.263 -0.322 50 20 BBGD CNC(=S)N(C)NC(=O)/C=C\COC 854919888 HQWAPJWXBJKGDP-PLNGDYQASA-N 217.294 -0.344 50 20 BBGD O=C(C[C@H]1CCOC1)NNC(=O)c1cn[nH]c1 862469887 DWRIROGLFRUBJA-SSDOTTSWSA-N 238.247 -0.403 50 20 BBGD COC1CC(C(=O)NNC(=O)CN(C)C)C1 863864964 CZPAREVWKBAJDX-UHFFFAOYSA-N 229.280 -0.880 50 20 BBGD CCO/C=C(\C#N)C(=O)N1CCCNC(=O)C1 874858693 JTAMNLXOUYYZCI-CMDGGOBGSA-N 237.259 -0.221 50 20 BBGD C#CCSCC(=O)NN(C)CCOC 897722493 ZUQYEWJJPGSCIF-UHFFFAOYSA-N 216.306 -0.038 50 20 BBGD CCOCC(=O)NNC(=O)N[C@@H]1COC[C@H]1C 925999526 HQJBMNBHXAICBO-HTQZYQBOSA-N 245.279 -0.612 50 20 BBGD O=C1CC[C@H](C(=O)NNC(=O)C2CC2)CN1 1115892440 UXRBRNHAHBPNPH-ZETCQYMHSA-N 225.248 -0.930 50 20 BBGD N#CC1=CCN(C(=O)[C@H]2CCNC2=O)CC1 1261760165 BZUMCVJKAYUYBJ-VIFPVBQESA-N 219.244 -0.195 50 20 BBGD N#Cc1csc(C=NNC(=O)C(N)=O)c1 1322296729 OOHUOPOEKVYJPA-UHFFFAOYSA-N 222.229 -0.445 50 20 BBGD CNC(=O)NNC(=O)c1cnn(C2CC2)c1 1329192342 GAAGDRUAFJBKDF-UHFFFAOYSA-N 223.236 -0.208 50 20 BBGD C[C@@H](C(=O)NNc1cccnn1)[C@@H]1CCC(=O)N1 1351520748 FTZLBCFIRWCHFY-SFYZADRCSA-N 249.274 -0.166 50 20 BBGD CC1=NO[C@@](C)(C(=O)NN(C)[C@@H](C)CO)C1 1358320013 IAFPRWLJQMMACE-WCBMZHEXSA-N 229.280 -0.115 50 20 BBGD CC(=O)NNC(=O)CNC(=O)C1CCCCC1 8555213 VRSAZYCNVWHHKT-UHFFFAOYSA-N 241.291 -0.150 50 20 BBGD C[S@@](=O)CCCNS(=O)(=O)CCl 229364503 YUHMQUOMIKOUGO-LLVKDONJSA-N 233.742 -0.129 50 20 BBGD CC[C@@H](CO)NCc1ccc(B(O)O)cc1 585015236 UDWCHNNBMMSRNC-NSHDSACASA-N 223.081 -0.773 50 20 BBGD CCN1CC(NCc2ccccc2B(O)O)C1 585043582 OKEAIJSUOKUULZ-UHFFFAOYSA-N 234.108 -0.840 50 20 BBGD O=C(NCB(O)O)C(F)(F)c1ccccc1 585060850 LAEPVEAGJINGLF-UHFFFAOYSA-N 228.991 -0.093 50 20 BBGD CNC(=O)NNC(=O)CCSCC(=O)O 737542796 JLEGOPPGLNALJL-UHFFFAOYSA-N 235.265 -0.846 50 20 BBGD COc1cccc2c1CCC2=NNC(=O)C(N)=O 759646630 MSDYSFLILSZEGQ-UHFFFAOYSA-N 247.254 -0.053 50 20 BBGD COC(=O)CNC(=O)NN=Cc1cnn(C)c1 779816474 JOXZIPXSRLNJGZ-UHFFFAOYSA-N 239.235 -0.774 50 20 BBGD CCNC(=O)NNC(=O)[C@H]1CCCN1C1CC1 787201656 KRURIMJRDQEOON-SECBINFHSA-N 240.307 -0.037 50 20 BBGD CCNC(=O)NNC(=O)c1cc([N+](=O)[O-])n[nH]1 795586884 HSXYZACYAZDJQI-UHFFFAOYSA-N 242.195 -0.718 50 20 BBGD COC(=O)c1cc(C(=O)NNC(C)=O)c[nH]1 814196160 WGSYMKWBXSAEON-UHFFFAOYSA-N 225.204 -0.418 50 20 BBGD C[C@@H](O)CN(C)NC(=O)[C@H]1C[C@@H](O)C1 821217839 PUQNDRYWVLPSDX-PRJMDXOYSA-N 202.254 -0.899 50 20 BBGD N#C/C(=C\c1ccc(-c2nn[nH]n2)o1)C(N)=O 822795786 GZCGXBHBJXREJU-HWKANZROSA-N 230.187 -0.148 50 20 BBGD Cc1ncoc1C(=O)NN(C)[C@H](C)CO 823951164 ISHWPLPIRKIYOT-ZCFIWIBFSA-N 213.237 -0.060 50 20 BBGD CC1(C)CN[C@@H]1C(=O)NNc1ncccn1 826726145 GCUAMRAIUIWRKL-SSDOTTSWSA-N 221.264 -0.082 50 20 BBGD CNC(=S)N(C)NC(=O)[C@H](C)n1cncn1 854922551 CGXHTOLNLBQFNW-LURJTMIESA-N 242.308 -0.694 50 20 BBGD Cn1nncc1NNC(=O)CC1(O)CCCC1 857271140 BOAPVSSZBULRNS-UHFFFAOYSA-N 239.279 -0.047 50 20 BBGD CCC(=O)NNC(=O)[C@@H](C)SCCC(N)=O 863383487 SGBXXEYVGQPCTF-ZCFIWIBFSA-N 247.320 -0.459 50 20 BBGD C[C@H](O)CN(C)NC(=O)[C@H]1CO[C@H](C)C1 910158436 FUXXVYDPDIDXCE-DJLDLDEBSA-N 216.281 -0.245 50 20 BBGD CC(=O)N[C@@H](C)C(=O)NNC(=O)NCC1CC1 920859196 GUVOQEHRTSQZAZ-LURJTMIESA-N 242.279 -0.749 50 20 BBGD CCCc1n[nH]cc1C(=O)NNC(=O)NC 1116665347 QDFCSMYMFNNYIY-UHFFFAOYSA-N 225.252 -0.064 50 20 BBGD COC(=O)NC1CN(C(=O)CCl)C1 1118554178 QRLYWSWTGKFJFW-UHFFFAOYSA-N 206.629 -0.208 50 20 BBGD CNC(=O)NNC(=O)c1cc([N+](=O)[O-])cn1C 1317988511 PSXREXOTAHELBI-UHFFFAOYSA-N 241.207 -0.493 50 20 BBGD CN(NC(=O)CCc1nc[nH]n1)C1CC1 1326617871 RGFAAVDANKBHCT-UHFFFAOYSA-N 209.253 -0.137 50 20 BBGD CC(=NNC(=O)CCO)c1csnn1 1343881106 BKCDXENIQJAMDG-UHFFFAOYSA-N 214.250 -0.239 50 20 BBGD Cc1cc(C(=O)NNC(=O)[C@@H]2C[C@@H]2F)n[nH]1 1349382427 XCPOXGAOVRLSED-RITPCOANSA-N 226.211 -0.163 50 20 BBGD COC(=O)NNC(=O)c1nccnc1C 1351139409 DKXCVLGHUBWAMP-UHFFFAOYSA-N 210.193 -0.214 50 20 BBGD Cn1nccc1C(=O)NNC(=O)c1ccc[nH]1 132320718 XLAKGRJJZPYEJT-UHFFFAOYSA-N 233.231 -0.177 50 20 BBGD CC(Cl)(Cl)C(=O)NNC(=O)CO 182771731 JQCWQRHCPLFYLI-UHFFFAOYSA-N 215.036 -0.680 50 20 BBGD Cc1ccnc(NC(=O)NNC(=O)CO)c1 184258837 OIDOJDWCYGZGDJ-UHFFFAOYSA-N 224.220 -0.465 50 20 BBGD COC(=O)N(C)CC(=O)NNC(=O)C1CCC1 264822853 XRKKCYTXUKMRTD-UHFFFAOYSA-N 243.263 -0.368 50 20 BBGD CC[C@](C)(C#N)C(=O)NNC(=O)C(C)(C)O 286638423 BGWSHOYOFXQLMV-SNVBAGLBSA-N 227.264 -0.155 50 20 BBGD COC(=O)N(C)NC(=O)[C@@H]1CCN(C)C(=O)C1 495826380 WFWDSWVLHVKASZ-SSDOTTSWSA-N 243.263 -0.416 50 20 BBGD COC(=O)NN=C(C)CN1C(=O)CCC1=O 496988815 ZOCVAWYYGVNMLX-UHFFFAOYSA-N 227.220 -0.133 50 20 BBGD C[C@]1(CNCc2ccccc2B(O)O)CCOC1 585023249 ISJZHGWIIYDUFX-CYBMUJFWSA-N 249.119 -0.117 50 20 BBGD O=S(=O)(Cc1ccccc1F)NCB(O)O 585054410 LJGODHAAZOHZDU-UHFFFAOYSA-N 247.056 -0.743 50 20 BBGD CC(C)(O)C(=O)NNC(=O)[C@H]1CCCCO1 768243242 BVPSXFRFQFUDEH-SSDOTTSWSA-N 230.264 -0.526 50 20 BBGD CN(NC(=O)COC[C@@H]1CCCO1)C(N)=O 770436778 RBXXJBMQFRWSGF-ZETCQYMHSA-N 231.252 -0.776 50 20 BBGD Cc1ncsc1C(=O)NNC(=O)CO 777781566 BFGYPKFSORYWFT-UHFFFAOYSA-N 215.234 -0.795 50 20 BBGD CC(C)(O)C(=O)NNC(=O)c1cnccn1 787947478 PSDMBAVONURWFU-UHFFFAOYSA-N 224.220 -0.992 50 20 BBGD COc1cccc(NNC(=O)c2cn(C)nn2)n1 809755131 FMWNECDREXPPRA-UHFFFAOYSA-N 248.246 -0.024 50 20 BBGD COCCN(C)NC(=O)[C@@H]1COCCO1 816562447 MADZZVOJNKSLIL-QMMMGPOBSA-N 218.253 -0.989 50 20 BBGD CC(C)(O)C(=O)NNC(=O)[C@H]1CCC(=O)C1 843863117 CYDDKKWDEKDBFQ-LURJTMIESA-N 228.248 -0.726 50 20 BBGD CS(=O)(=O)N1CC[C@H](NC=C(C#N)C#N)C1 844269621 XAWWCBGECSBRDF-VIFPVBQESA-N 240.288 -0.459 50 20 BBGD COC/C(C)=C/C(=O)NNC(=O)C(C)(C)O 845992891 SMAQJQQZEUEFDT-FNORWQNLSA-N 230.264 -0.503 50 20 BBGD CCOCCOCCCC(=O)NNC(C)=O 854155081 FCMSFFQLFQYGNH-UHFFFAOYSA-N 232.280 -0.013 50 20 BBGD COCCC(C)=NNC(=O)[C@@H]1CCC(=O)N1 863149766 FJOQBONKIGTXJF-QMMMGPOBSA-N 227.264 -0.206 50 20 BBGD C#CCCCC(=O)NNC(=O)c1nonc1C 887144706 WQRIVAZWPBEOSW-UHFFFAOYSA-N 236.231 -0.057 50 20 BBGD C[C@@H](O)CN(C)NC(=O)c1ccn(C)c(=O)c1 910172355 AZROPBBYPAWXPJ-MRVPVSSYSA-N 239.275 -0.657 50 20 BBGD CNC(=O)NNC(=O)c1ccc(C#N)c(C)n1 1319889207 WVTUWJOQFUTXED-UHFFFAOYSA-N 233.231 -0.165 50 20 BBGD CCO/C=C(\C#N)C(=O)NCc1nnn(C)n1 1321102352 YXVMPGVSFMPSPK-VOTSOKGWSA-N 236.235 -0.730 50 20 BBGD Cc1cc(NNC(=O)c2cnnn2C)ncn1 1321164832 NDRMGQYRCNIANX-UHFFFAOYSA-N 233.235 -0.330 50 20 BBGD CN(NC(=O)C[C@H]1CCC(=O)N1)C1CC1 1328418195 WQMXZKIZYJVHPD-SSDOTTSWSA-N 211.265 -0.220 50 20 BBGD C/C=C(\C)C(=O)NNC(=O)CS(C)(=O)=O 1329128806 WYHOGSIWWAJNNG-GQCTYLIASA-N 234.277 -0.855 50 20 BBGD O=C(c1cccnc1F)N1CC[C@@H](B(O)O)C1 1329291773 GPRFOSWWTUJFGH-SSDOTTSWSA-N 238.027 -0.090 50 20 BBGD O=C(Cc1nc[nH]n1)NNC(=O)C1CCC1 1331964546 CSISPZCIJXJJJO-UHFFFAOYSA-N 223.236 -0.705 50 20 BBGD O=C(NNC(=O)C(=O)O)N[C@@H]1C[C@H]1C1CC1 1601552887 MJYMXBKIBXWWMY-NTSWFWBYSA-N 227.220 -0.800 50 20 BBGD CCOC(=O)NCCCC(=O)NNC(C)=O 269848583 QJOZLMKGVVTEBO-UHFFFAOYSA-N 231.252 -0.320 50 20 BBGD O=C(NNc1cccnn1)C1(O)CCC1 274846683 QNNFUAGBIBIEAV-UHFFFAOYSA-N 208.221 -0.165 50 20 BBGD CCOC(=O)NNC(=O)c1n[nH]cc1[N+](=O)[O-] 494122362 ANPPGMDODSLVLO-UHFFFAOYSA-N 243.179 -0.291 50 20 BBGD OB(O)c1ccc(CNCCOCC2CC2)o1 585024149 QVKXWTIEKOFPRO-UHFFFAOYSA-N 239.080 -0.524 50 20 BBGD C[C@H](CC(C)(C)O)NCc1ccc(B(O)O)o1 585042613 ANLQULHPIBVSSC-MRVPVSSYSA-N 241.096 -0.402 50 20 BBGD CCOc1c(F)cccc1C(=O)NCB(O)O 585059182 CDRLDJBDJIMHLR-UHFFFAOYSA-N 241.027 -0.034 50 20 BBGD O=C(NCB(O)O)C1=Cc2ccccc2OC1 585061176 RFXQGEPOPGZBHO-UHFFFAOYSA-N 233.032 -0.409 50 20 BBGD C[C@H](Oc1ccccc1C#N)C(=O)NCB(O)O 585061757 ZTJDHBSNUGQQNQ-QMMMGPOBSA-N 248.047 -0.546 50 20 BBGD O=C([C@H](O)c1ccccc1)N1CC[C@@H](B(O)O)C1 585066887 SIVUREZHCSJWHD-GHMZBOCLSA-N 249.075 -0.205 50 20 BBGD O=C([C@H](O)c1ccccc1)N1CC[C@H](B(O)O)C1 585066892 SIVUREZHCSJWHD-WDEREUQCSA-N 249.075 -0.205 50 20 BBGD CCO[C@@H](CC)C(=O)N1CC[C@@H](B(O)O)C1 585072142 IZYXQEPVQJYAKS-BDAKNGLRSA-N 229.085 -0.123 50 20 BBGD CNC(=O)NNC(=O)[C@H]1CCO[C@H]1C 770706410 PUCOSFBWTMTFDR-WDSKDSINSA-N 201.226 -0.628 50 20 BBGD O=C(N=c1cc[nH]cc1)NNC(=O)c1ccon1 802034243 GDFRZCNXOLRPCG-UHFFFAOYSA-N 247.214 -0.042 50 20 BBGD C[C@H](O)CN(C)NC(=O)CN1CCSC1=O 823718842 PYKYFVBFKONKSF-ZETCQYMHSA-N 247.320 -0.501 50 20 BBGD CCN(CCO)NC(=O)C[C@@H]1CCCO1 823847035 QQLSEDJYCHFIFN-VIFPVBQESA-N 216.281 -0.099 50 20 BBGD C[C@H](CO)N(C)NC(=O)[C@@H]1CCCN1C 823959919 SFAAUHPNNUCNDL-BDAKNGLRSA-N 215.297 -0.576 50 20 BBGD C=C[C@@](C)(O)C(=O)NN(C)C(=O)OC 854410105 TUKYQWJGGHPWJI-MRVPVSSYSA-N 202.210 -0.347 50 20 BBGD C=C[C@](C)(O)C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 855007122 SPQNEKGXFPKRQV-XLDPMVHQSA-N 242.275 -0.504 50 20 BBGD CC/C=C(\C)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862451433 CIAWXRBGQGOTAN-IPWDFOCMSA-N 239.275 -0.231 50 20 BBGD OB(O)c1ccc(OCc2ccon2)cc1 864048414 WGRMEJIYPUVKOK-UHFFFAOYSA-N 219.005 -0.067 50 20 BBGD COC(=O)N(C)NC(=O)N[C@H]1C[C@H](C)OC1=O 896373406 RYUBCADWHBKGDD-WDSKDSINSA-N 245.235 -0.397 50 20 BBGD CNC(=S)N(C)NC(=O)Cc1nnc(C)o1 1118713562 PELLCLKTICISJC-UHFFFAOYSA-N 243.292 -0.612 50 20 BBGD O=C(CCl)N1CCO[C@@H](c2nn[nH]n2)C1 1320465752 MANNNEAHNQXTCM-RXMQYKEDSA-N 231.643 -0.662 50 20 BBGD Cc1cnn(C)c1C=NNC(=O)CCO 1322040596 QGYLXLURBLJNDC-UHFFFAOYSA-N 210.237 -0.439 50 20 BBGD COC(=O)C1(C(=O)N2CC[C@H](B(O)O)C2)CC1 1335433482 QYFAXSVDJCFRRX-ZETCQYMHSA-N 241.052 -0.985 50 20 BBGD CCn1cncc1C=NNC(=O)[C@H]1CCC(=O)N1 1348410814 CQWXAERTOZLMLG-SECBINFHSA-N 249.274 -0.368 50 20 BBGD C=C(CCC(=O)O)C(=O)NNC(=O)N(C)C 1573336964 JMHYRKNVIOMCSF-UHFFFAOYSA-N 229.236 -0.290 50 20 BBGD N#CC1=CCN(C(=O)[C@@H]2CC(C(=O)O)=NO2)CC1 1574481148 VLOGJVCBBIPOJQ-VIFPVBQESA-N 249.226 -0.102 50 20 BBGD CCNC(=O)NNC(=O)C1(CC(=O)O)CCC1 1589908353 BEAXJXOEKMIILP-UHFFFAOYSA-N 243.263 -0.018 50 20 BBGD CNC(=O)NN=C1CCN(CCC(=O)O)CC1 1610140795 LAUIFUBXBLQPLH-UHFFFAOYSA-N 242.279 -0.158 50 20 BBGD O=C(CC1CC1)NNC(=O)Cn1ccccc1=O 298321703 VZHOPUBQSOALSY-UHFFFAOYSA-N 249.270 -0.204 50 20 BBGD Cn1cc(/C=C(\C#N)C(=O)NCC#CCO)cn1 491177395 WJHWILGONFEFBO-IZZDOVSWSA-N 244.254 -0.561 50 20 BBGD N#C[C@H]1CCC[C@@H]1NCc1ccc(B(O)O)o1 585034645 KVQPDGHIOZXWJV-SCZZXKLOSA-N 234.064 -0.259 50 20 BBGD CC(C)N(C)C(=O)N1CC[C@@H](B(O)O)C1 585056682 UGVOTYOWNSVKIZ-MRVPVSSYSA-N 214.074 -0.005 50 20 BBGD O=C1CC[C@H](C(=O)NNC(=O)C2CCCC2)N1 729839167 DLZOEBQIBWPJNV-MRVPVSSYSA-N 239.275 -0.397 50 20 BBGD CC(=NN(C)C(N)=O)c1cc(C(N)=O)n(C)c1 767903863 KIELCBSBBAWUSS-UHFFFAOYSA-N 237.263 -0.142 50 20 BBGD C[C@H](C(=O)NN(C)C(N)=O)N1CCSCC1 778412973 ZEJOAIVCKRULJR-SSDOTTSWSA-N 246.336 -0.535 50 20 BBGD CNC(=O)NN=Cc1ccc(-c2nn[nH]n2)o1 821633804 DTOHJGWGILBJLA-UHFFFAOYSA-N 235.207 -0.277 50 20 BBGD COc1nccnc1NNC(=O)C(OC)OC 823669846 PXMDIZCZHRBYOL-UHFFFAOYSA-N 242.235 -0.453 50 20 BBGD C[C@H](C(=O)NNC(=O)c1cn[nH]c1)N(C)C 824856954 NJEJXKJJPOZKBR-ZCFIWIBFSA-N 225.252 -0.879 50 20 BBGD CCCCC[C@@H](O)C(=O)NN(C)C(N)=O 828166725 BFEFDNAOKBKEBK-SSDOTTSWSA-N 217.269 -0.031 50 20 BBGD C[C@@H]1OCC[C@H]1C(=O)NN=Cc1cnnn1C 842556151 RVNGMDQFLUJBBF-IONNQARKSA-N 237.263 -0.310 50 20 BBGD O=C(OC[C@H]1CCCO1)N1CC[C@H](B(O)O)C1 864232104 LFNOKDSJRJYTKE-DTWKUNHWSA-N 243.068 -0.149 50 20 BBGD COC(=O)N(C)NC(=O)NCCn1ccnc1 864409453 WUCBYHRQPJLPGG-UHFFFAOYSA-N 241.251 -0.205 50 20 BBGD C/C=C\C(=O)NNC(=O)Cc1cc(C)[nH]n1 869010584 DEGHDNIAILBVKO-ARJAWSKDSA-N 222.248 -0.016 50 20 BBGD COC(=O)N(C)NC(=O)NCc1ncccn1 875744574 BLBKDADYRPLNMR-UHFFFAOYSA-N 239.235 -0.111 50 20 BBGD C[C@@H](O)CN(C)NC(=O)CN(C)C1CCC1 910149560 KWIXELQTULVJMR-SECBINFHSA-N 229.324 -0.186 50 20 BBGD C[C@H](O)CN(C)NC(=O)[C@@H]1[C@H]2CCC(=O)[C@@H]21 910185042 XFYRONQMUGAKOL-AKEJEFCPSA-N 226.276 -0.445 50 20 BBGD C=C[C@H](O)C(=O)NNC(=O)[C@@H]1CCO[C@H]1C 1118773280 HLYRPGZUQSAQRA-RNJXMRFFSA-N 228.248 -0.894 50 20 BBGD NNC(=O)Cc1csc(N2CCCC2=O)n1 1326770207 KWPMMJCSKMEMID-UHFFFAOYSA-N 240.288 -0.198 50 20 BBGD O=C([C@@H]1CCCOC1)N1CC[C@H](B(O)O)C1 1329215199 NECDHCLZKLLZNG-BDAKNGLRSA-N 227.069 -0.512 50 20 BBGD COC(=O)C(=O)NN=Cc1ccc(C(N)=O)cc1 1330774434 PIIULOLWUCVRSA-UHFFFAOYSA-N 249.226 -0.591 50 20 BBGD CC(C)C(=O)NNC(=O)c1cc(C(=O)O)on1 1590939492 WVSRFWJBNPVRNV-UHFFFAOYSA-N 241.203 -0.210 50 20 BBGD CO[C@H](CNCc1ccc(B(O)O)o1)C1CC1 585043530 QNVACWFOHSDWHV-SNVBAGLBSA-N 239.080 -0.526 50 20 BBGD O=C(Cn1ncc2ccccc21)NCB(O)O 585060097 MSSHSLCTDKIJJB-UHFFFAOYSA-N 233.036 -0.836 50 20 BBGD C[C@@H]1C[C@H]1C(=O)NNC(=O)Cc1cc[nH]n1 730091551 IILUVAFZTVYWIG-HTRCEHHLSA-N 222.248 -0.244 50 20 BBGD COCCO[C@@H](C)C(=O)NNC(=O)NC(C)C 733954106 STTQZQFCCCZMPP-QMMMGPOBSA-N 247.295 -0.223 50 20 BBGD COC[C@](C)(O)C(=O)NNC(=O)c1ccc[nH]1 754978721 URFOHIBRUMLTTC-JTQLQIEISA-N 241.247 -0.827 50 20 BBGD CCC(=O)NNC(=O)[C@H](C)N1CC[C@@H](CO)C1 772776997 JMVULYPAGLOCTB-DTWKUNHWSA-N 243.307 -0.754 50 20 BBGD CCS(=O)(=O)CC(=O)NN(C)C1CC1 819646381 VUXHGZGDRYUXKY-UHFFFAOYSA-N 220.294 -0.454 50 20 BBGD CCN(CCO)NC(=O)c1cnsn1 823852297 CGUZONMTBBLQQX-UHFFFAOYSA-N 216.266 -0.503 50 20 BBGD COCC(=O)NN[C@@H](C(=O)O)c1cccnc1 831540888 HQXPUUSGZCEOFL-SECBINFHSA-N 239.231 -0.526 50 20 BBGD CCNC(=O)NNC(=O)/C=C(/C)COC 845300757 XIFVHDQZGJHTIE-ALCCZGGFSA-N 215.253 -0.071 50 20 BBGD N#CCCNCc1ccc(B(O)O)cc1 877482562 CJPZSSONRJYRAT-UHFFFAOYSA-N 204.038 -0.630 50 20 BBGD COC(=O)NNC(=O)[C@H]1CCCC(=O)N1C 891772628 PYKALYHDRKQEQV-ZCFIWIBFSA-N 229.236 -0.616 50 20 BBGD C[C@@H](NC=C(C#N)C#N)c1nnnn1C 1120851422 HKUYSJNSVILBLC-ZCFIWIBFSA-N 203.209 -0.208 50 20 BBGD C=C(CC)C(=O)NNC(=O)C(C)(C)O 1123710362 ZHWYWEXKRHZLIV-UHFFFAOYSA-N 200.238 -0.129 50 20 BBGD CC(C)C(=O)NNC(=O)CSc1nc[nH]n1 1261264485 SMSKXONURQIJHL-UHFFFAOYSA-N 243.292 -0.300 50 20 BBGD CN(C)S(=O)(=O)/C(C#N)=C\c1cnnn1C 1321107098 UEOUDQKWXZBLHY-YWEYNIOJSA-N 241.276 -0.429 50 20 BBGD CC(=O)NNC(=O)[C@H]1CCc2nccn2C1 1330619139 UOMVNXROQKOLRQ-QMMMGPOBSA-N 222.248 -0.387 50 20 BBGD CN(NC(=O)CS(C)(=O)=O)C1CC1 1331971451 PZHAYDQYJCIGPW-UHFFFAOYSA-N 206.267 -0.844 50 20 BBGD N#Cc1ccc(C(=O)NNC(=O)C2(N)CC2)cc1 1574244984 DOMYUQQFMISXQF-UHFFFAOYSA-N 244.254 -0.189 50 20 BBGD C[C@H](CNCc1ccc(B(O)O)cc1)C(=O)O 1589066999 VNPWKPDCOSKIBT-MRVPVSSYSA-N 237.064 -0.823 50 20 BBGD COC[C@H]1CC[C@H]1NCc1ccc(B(O)O)cc1 585043552 QYKGSBJSRJWFDK-DGCLKSJQSA-N 249.119 -0.119 50 20 BBGD O=C(COc1ccccc1Cl)NCB(O)O 585057771 ZOTCYXXTJGMJHB-UHFFFAOYSA-N 243.455 -0.153 50 20 BBGD O=C(/C=C/c1ccc2c(c1)CCO2)NCB(O)O 585060259 BPFLNNAVYRBTEJ-DUXPYHPUSA-N 247.059 -0.237 50 20 BBGD C[C@@H]1CCn2cc(C(=O)NCB(O)O)nc2C1 585066668 MUQHGSKABDGPMC-SSDOTTSWSA-N 237.068 -0.793 50 20 BBGD CN(CC(=O)NNC(=O)C1CCC1)C(=O)O 737393394 MDLKRQWIDIMROG-UHFFFAOYSA-N 229.236 -0.456 50 20 BBGD C=C(CN(C)C)C(=O)NNC(=O)c1ccccn1 763875508 NYJMIUAOIQXPLR-UHFFFAOYSA-N 248.286 -0.040 50 20 BBGD Cc1c[nH]nc1C(=O)NNC(=O)Cc1cc[nH]n1 799616198 CVXDTHFTTPPMPL-UHFFFAOYSA-N 248.246 -0.555 50 20 BBGD CCN(CCO)NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 823889347 SMKKFBPSNKTQJM-BBBLOLIVSA-N 228.292 -0.101 50 20 BBGD C[C@H](CO)N(C)NC(=O)/C=C\[C@@H]1CCOC1 823918069 QZMNTIYSEAKIRW-HWKXXFMVSA-N 228.292 -0.077 50 20 BBGD CCCNC(=O)NNC(=O)[C@H](C)CC(=O)O 829512993 FFDSKAYCBAQRAC-ZCFIWIBFSA-N 231.252 -0.162 50 20 BBGD O=C1CCC(=NNC(=O)c2cc[nH]n2)CCN1 853391309 HUOHYMGRAAZNOZ-UHFFFAOYSA-N 235.247 -0.204 50 20 BBGD CCOCC(=O)NNC(=O)NCC[C@H](C)N 857113176 OTBQTGOIUPDIFB-ZETCQYMHSA-N 232.284 -0.909 50 20 BBGD Cc1cc(=NNC(=O)[C@H]2COCCO2)cc[nH]1 862510364 DSKSRQLCLCJNJS-SNVBAGLBSA-N 237.259 -0.330 50 20 BBGD C/C=C(\CC)C(=O)NNC(=O)CS(C)(=O)=O 863465210 XJIAYKYFTXRJMO-QPJJXVBHSA-N 248.304 -0.465 50 20 BBGD Cn1nccc1C=NNC(=O)CN1CCCC1=O 914554991 DTXBNYMLXKYKLV-UHFFFAOYSA-N 249.274 -0.507 50 20 BBGD O=C(NNS(=O)(=O)C1CC1)c1cn[nH]c1 1118953409 FCMOZOYMGCYUSK-UHFFFAOYSA-N 230.249 -0.864 50 20 BBGD Cc1cc(NNC(=O)c2cn(C)nn2)nc(C)n1 1325676599 DISRPBBJWNWMMY-UHFFFAOYSA-N 247.262 -0.021 50 20 BBGD CCCCNC(=O)NNC(=O)C#CCOC 1330235024 ZCIDXUIZPFBRQR-UHFFFAOYSA-N 227.264 -0.233 50 20 BBGD CC(C)(NS(=O)(=O)CCl)C(=O)O 1590874879 NGURSTZZTOYCEM-UHFFFAOYSA-N 215.658 -0.035 50 20 BBGD CCO/C=C(\C#N)C(=O)NCC[C@H](O)C(=O)O 1605617962 DVXBMKRYWOQYMC-CZEYKFRCSA-N 242.231 -0.618 50 20 BBGD NNC(=O)c1ccc(N2CCNC2=O)cc1 146278470 QDEUFQBPCUTTRR-UHFFFAOYSA-N 220.232 -0.180 50 20 BBGD COC(=O)NNC(=O)COC[C@H]1CCCO1 495448492 PCAWOYPJHQLLKN-SSDOTTSWSA-N 232.236 -0.431 50 20 BBGD O=C(NC[C@H]1CC12CC2)c1ccc(B(O)O)cc1 585000064 IXCYKCWWCYAFLL-SNVBAGLBSA-N 245.087 -0.104 50 20 BBGD CO[C@@]1(C)C[C@H]1NC(=O)c1ccc(B(O)O)cc1 585008062 FSEFANLYXWOHKK-PWSUYJOCSA-N 249.075 -0.726 50 20 BBGD CNC(=O)NNC(=O)CNc1ccc(C#N)cn1 765483355 SKSSUCOCIZLTCD-UHFFFAOYSA-N 248.246 -0.675 50 20 BBGD CC[C@@H](C(=O)NNC(=O)C1CC1)[C@@H](C)O 789941327 JMQNHDDEVKKATO-HTRCEHHLSA-N 214.265 -0.049 50 20 BBGD C[C@H](O)CN(C)NC(=O)[C@@H]1CCCN1C 821217800 OZONWUZHBMNGQZ-IUCAKERBSA-N 215.297 -0.576 50 20 BBGD CCCN(C)CC(=O)NN(C)CCOC 837624311 ZETTYMWGEGOCJI-UHFFFAOYSA-N 217.313 -0.062 50 20 BBGD CN1C(=O)CCC[C@@H]1C(=O)NNc1ncccn1 905898149 RZYKLBSMBXODHW-MRVPVSSYSA-N 249.274 -0.069 50 20 BBGD CCNC(=S)NNC(=O)c1cccnn1 1262166649 KFEKTVHWVQHDHP-UHFFFAOYSA-N 225.277 -0.395 50 20 BBGD O=C(CO)NNC(=O)CCc1nccs1 1325298829 HISAGAXHTJNCBL-UHFFFAOYSA-N 229.261 -0.785 50 20 BBGD O=C(C[C@@H]1CCC(=O)N1)NNC(=O)C1CC1 1333767096 RMJNRGSXPAKXJV-ZETCQYMHSA-N 225.248 -0.788 50 20 BBGD CC(=NNC(=O)[C@@H]1CCC(=O)N1)c1ncccn1 1351651855 QEUBHJWRDUSDBH-QMMMGPOBSA-N 247.258 -0.405 50 20 BBGD CNC(=O)CCNS(=O)(=O)CCCCl 45015147 RZNOCTGMOXYAPH-UHFFFAOYSA-N 242.728 -0.329 50 20 BBGD CC(=O)NNC(=O)Nc1cc(C)nn1C 48870177 NLJKYXODWGHTJS-UHFFFAOYSA-N 211.225 -0.099 50 20 BBGD CNC(=O)NNC(=O)Cc1c(C)nn(C)c1C 48949845 SEQSQCPCFVTOBL-UHFFFAOYSA-N 239.279 -0.460 50 20 BBGD O=C(Cn1cnnn1)NNc1ccccc1F 153161276 CALLOPGWCQJEDC-UHFFFAOYSA-N 236.210 -0.045 50 20 BBGD O=C(/C=C/c1cccc(F)c1)NCB(O)O 585056963 FBORHCBPGSODAE-SNAWJCMRSA-N 223.012 -0.033 50 20 BBGD CC(C)C(=O)NNC(=O)c1ccc(C(N)=O)o1 746791551 NFCISZWUWDIACM-UHFFFAOYSA-N 239.231 -0.205 50 20 BBGD Cc1nc(C)c(NC(=O)NNC(=O)CO)s1 757588498 LPEBNSFFGLCBIR-UHFFFAOYSA-N 244.276 -0.095 50 20 BBGD CCC1(C(=O)NN(C)C(N)=O)COC1 778411868 JFNRMPFPWFWCSK-UHFFFAOYSA-N 201.226 -0.545 50 20 BBGD C=C[C@H](NNC(=O)c1ccc[nH]1)C(=O)OC 799977469 WUJOJZCUPMKNGQ-ZETCQYMHSA-N 223.232 -0.023 50 20 BBGD COC(=O)CNC(=O)NN=Cc1ccn(C)n1 814900885 MPODMMYRSIOEKV-UHFFFAOYSA-N 239.235 -0.774 50 20 BBGD CS[C@@H](C)C(=O)NNc1nc[nH]n1 816631841 IBCBXGGDQVNGEM-BYPYZUCNSA-N 201.255 -0.001 50 20 BBGD C[C@@H](O)CN(C)NC(=O)CN1CCSC1=O 823718840 PYKYFVBFKONKSF-SSDOTTSWSA-N 247.320 -0.501 50 20 BBGD CCCn1cc(C(=O)NN(CC)CCO)nn1 823869505 KPCPRIDQKCYHRX-UHFFFAOYSA-N 241.295 -0.353 50 20 BBGD Cc1cc(CC(=O)NN(C)[C@@H](C)CO)on1 823922016 GYBDZLOYZZYLCB-QMMMGPOBSA-N 227.264 -0.131 50 20 BBGD CS[C@H](C)CC(=O)NNC(=O)c1ncon1 832826384 YLILSFRSYKRNHG-RXMQYKEDSA-N 244.276 -0.028 50 20 BBGD C[C@H]1OCCC1=NNC(=O)NCC(=O)O 833635123 RTRNBZCWQIHMDC-RXMQYKEDSA-N 215.209 -0.465 50 20 BBGD CC(C)[C@H](C)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862453867 AGTPYMBWMRDDAN-YUMQZZPRSA-N 241.291 -0.296 50 20 BBGD CO[C@@H](C)CC(=O)NNC(=O)c1cccnn1 882058733 KHDVATDGZBJCJU-ZETCQYMHSA-N 238.247 -0.337 50 20 BBGD CCO[C@@H]1C[C@H]1C(=O)NN(C)C[C@@H](C)O 910170019 IPOLPERSHHAWOS-IWSPIJDZSA-N 216.281 -0.245 50 20 BBGD O=C(NNC(=O)c1csc(O)n1)NC1CC1 1116856853 OFKYFLOJIAFHNC-UHFFFAOYSA-N 242.260 -0.045 50 20 BBGD C[C@@H](C(=O)NNC(=O)C1CC1)[C@H]1CCC(=O)N1 1329139298 BATJFCBLPYHSDB-HTRCEHHLSA-N 239.275 -0.542 50 20 BBGD COCC(=O)NNC(=O)C1CCOCC1 1331291455 XODQBDSZBWRCFJ-UHFFFAOYSA-N 216.237 -0.793 50 20 BBGD CCc1cccnc1C(=O)NNC(=O)[C@@H]1CCN1 1578280389 HWDGKFOHDVLARX-VIFPVBQESA-N 248.286 -0.233 50 20 BBGD C#CCNC(=S)NNC(=O)OCC 308436671 WWZOSAAXXSHYKG-UHFFFAOYSA-N 201.251 -0.255 50 20 BBGD C[C@H](N)[C@@H](C)C(=O)NNc1ncccn1 390614224 GFBWEKKEPCUIGK-RQJHMYQMSA-N 209.253 -0.097 50 20 BBGD C[C@H](CC#N)NC(=O)c1cccc(B(O)O)c1 584946061 WPOHSICNHVQEFT-MRVPVSSYSA-N 232.048 -0.602 50 20 BBGD C[C@@H](CCO)NCc1ccccc1B(O)O 585030195 XRYKBEADBAYHOQ-VIFPVBQESA-N 223.081 -0.773 50 20 BBGD COc1ccc(OC)c(C(=O)NCB(O)O)c1 585057821 LKJCBQBHBFINKY-UHFFFAOYSA-N 239.036 -0.554 50 20 BBGD CN(C)CCCNC(=S)NNC(=O)N(C)C 745736131 RVZMULWRKCOAJO-UHFFFAOYSA-N 247.368 -0.412 50 20 BBGD CCc1cc(NC(=O)NNC(=O)CO)n(C)n1 756594597 ROUPEKAFGHVNCN-UHFFFAOYSA-N 241.251 -0.873 50 20 BBGD Cn1ncc(C(=O)NNC(=O)c2ccc[nH]2)c1N 757702086 MSCAFGBBMLXKQP-UHFFFAOYSA-N 248.246 -0.595 50 20 BBGD CC(C)(C)OC(=O)CCC(=O)NNC(=O)CO 765905082 MEDIZFLMTWYOMH-UHFFFAOYSA-N 246.263 -0.752 50 20 BBGD COc1ccc(C=NNC(=O)CO)c(O)c1 776783631 RIHIAXADMQQRJU-UHFFFAOYSA-N 224.216 -0.157 50 20 BBGD CN1C(=O)CC[C@H]1C(=O)NNC(=O)CC1CC1 819136159 NWOYMAFJIOIIFI-QMMMGPOBSA-N 239.275 -0.445 50 20 BBGD C=C[C@@H]1OCC[C@H]1C(=O)NN(CC)CCO 823889228 MZRHIEXSFCGRGI-ZJUUUORDSA-N 228.292 -0.077 50 20 BBGD CCNC(=O)NNC(=O)[C@@H](CC)C(=O)OCC 840290061 ZQKMUQXMLVLYFP-SSDOTTSWSA-N 245.279 -0.074 50 20 BBGD C[C@H]1OC(=O)N[C@H]1C(=O)NNC(=O)C(C)(C)C 841381355 ISAMJCTWIMBYAZ-PHDIDXHHSA-N 243.263 -0.323 50 20 BBGD NNC(=O)N[C@@H]1CC(=O)N(c2ccccc2)C1 841744442 NXUHOPWNNDHYHV-MRVPVSSYSA-N 234.259 -0.035 50 20 BBGD CC(=O)NNC(=O)[C@@H](O)c1ccccc1 849133547 ZRBVBGZRNGCTMO-VIFPVBQESA-N 208.217 -0.113 50 20 BBGD CCC(=O)N[C@@H](C)C(=O)NN(C)C(=S)NC 854925267 CKTGVOGZVNXVFF-LURJTMIESA-N 246.336 -0.632 50 20 BBGD Cc1c(C#N)c(=O)n(C/C=C\C#N)c(=O)n1C 882266582 HRLJIULAZNIPMQ-ARJAWSKDSA-N 230.227 -0.193 50 20 BBGD COCCN(C)NC(=O)C(=O)OC(C)(C)C 883128381 DZYNNDGXIFLUKO-UHFFFAOYSA-N 232.280 -0.063 50 20 BBGD CC[C@]1(C(=O)NN(C)C[C@@H](C)O)CCNC1=O 910182715 IVVIFXZQPIIIPG-KCJUWKMLSA-N 243.307 -0.754 50 20 BBGD C=C[C@H](O)C(=O)NNC(=O)[C@H]1CCO[C@H]1C 1118773278 HLYRPGZUQSAQRA-FXQIFTODSA-N 228.248 -0.894 50 20 BBGD C#CCCCC(=O)NNC(=O)Cc1cncn1C 1119983321 HRSFREDLDSIBHW-UHFFFAOYSA-N 248.286 -0.087 50 20 BBGD CC(=O)N(C)CC(=O)NNC(=S)NC(C)C 1317815868 QKEKMSSAFAGHMV-UHFFFAOYSA-N 246.336 -0.632 50 20 BBGD CC(=NNC(=O)CCO)c1cc(C)n(C)n1 1321223376 XMTRIFRTXXGYFY-UHFFFAOYSA-N 224.264 -0.049 50 20 BBGD CC(C)C(=O)NNS(=O)(=O)c1cnc[nH]1 1328880093 FZRSOXOEDKTKCM-UHFFFAOYSA-N 232.265 -0.625 50 20 BBGD CNC(=O)CCCCC(=O)NN(C)[C@H](C)CO 1330881227 ZSYGPLSDAPXZTF-SECBINFHSA-N 245.323 -0.363 50 20 BBGD C/C=C/C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 1331922351 IFKYOZJRNXHVFQ-AIYRYJHASA-N 246.288 -0.855 50 20 BBGD CC(=O)NNC(=O)CCC(=O)c1cnn(C)c1 1339583224 KGEPLZDBORSEHR-UHFFFAOYSA-N 238.247 -0.450 50 20 BBGD CO[C@H](C)[C@H](N)C(=O)NN(C)C1CC1 1574084411 BSKXOJBWAYMZHP-SVRRBLITSA-N 201.270 -0.526 50 20 BBGD C[C@H]1CO[C@@H](C(=O)NNC(=O)CCCN)C1 1576856184 IPJUPDGYYIKSTI-HTQZYQBOSA-N 229.280 -0.702 50 20 BBGD CC(=NNC(=O)C(=O)O)c1nccnc1C 1602987687 VNZQUDPLCDCUAQ-UHFFFAOYSA-N 222.204 -0.290 50 20 BBGD O=C(O)CNC(=O)NN=Cc1ccoc1 1608754679 XRBVDWPYIVTFKD-UHFFFAOYSA-N 211.177 -0.003 50 20 BBGD Cn1cc(C(=O)O)cc1C=NNC(=O)CO 1776052658 FHKDABZVXSACHI-UHFFFAOYSA-N 225.204 -0.834 50 20 BBGD CC(C)CC(=O)NNC(=O)C(=O)NC1CC1 8392096 YPCSCGYBHFHSNK-UHFFFAOYSA-N 227.264 -0.542 50 20 BBGD CS(=O)(=O)CCCNC(=O)CCl 38047751 KPAVBQCRBWXGDS-UHFFFAOYSA-N 213.686 -0.224 50 20 BBGD CNC(=O)NNC(=O)CNC(=O)CCC(C)C 264667093 KRQRXSBGOJCWBE-UHFFFAOYSA-N 244.295 -0.501 50 20 BBGD CC1(C(=O)NNC(=O)c2ccccn2)COC1 272770002 BUQVHKMYXQVJRX-UHFFFAOYSA-N 235.243 -0.121 50 20 BBGD COC(=O)NCCC(=O)NNc1cccnn1 495266365 RXHKNYNIRAJXQV-UHFFFAOYSA-N 239.235 -0.334 50 20 BBGD OB(O)c1ccccc1CNC[C@@H]1CC[C@H](O)C1 585037760 JCNKAYXMHJSSTQ-PWSUYJOCSA-N 249.119 -0.383 50 20 BBGD O=C(NN=Cc1csnn1)N1CCOCC1 745591381 XSFUTFMPGFJJSD-UHFFFAOYSA-N 241.276 -0.086 50 20 BBGD Cn1nncc1C=NNC(=O)NCC1CC1 751133674 QQKFRBYAASAEEA-UHFFFAOYSA-N 222.252 -0.142 50 20 BBGD CC(=NNC(=O)CO)[C@@H]1CCCOC1 779787712 VLBYFKWHRLUWHQ-MRVPVSSYSA-N 200.238 -0.103 50 20 BBGD CCNC(=O)N(C)NC(=O)[C@@H]1CCN(C)C1 780712733 WQNMCNYJXFFZAP-MRVPVSSYSA-N 228.296 -0.369 50 20 BBGD C[C@H](O)C(=O)NNC(=O)c1cccn1C 786703236 JJLRJFXKLSRMRW-LURJTMIESA-N 211.221 -0.833 50 20 BBGD COC(=O)N(C)NC(=O)c1cnn(C)n1 804123668 MEUBJLAIAHGJOX-UHFFFAOYSA-N 213.197 -0.842 50 20 BBGD CN1C(=O)CC[C@H](NC=C(C#N)C#N)C1=O 818997152 SUHMPULMURUJFI-QMMMGPOBSA-N 218.216 -0.346 50 20 BBGD COCc1cc(C(=O)NN(C)[C@H](C)CO)no1 823952347 QBIYVHCKQSGAHN-SSDOTTSWSA-N 243.263 -0.222 50 20 BBGD CC(=NNC(=O)NCC(=O)O)c1cnccn1 833385315 VVWQNEOOANBTCY-UHFFFAOYSA-N 237.219 -0.416 50 20 BBGD Cc1nonc1CC(=O)NNC(=O)C(C)C 845083639 BOPKUBZRZHHGGB-UHFFFAOYSA-N 226.236 -0.276 50 20 BBGD CCn1ccc(CC(=O)NNC(=O)OC)n1 846629042 YHKDSYCVJDOOAN-UHFFFAOYSA-N 226.236 -0.167 50 20 BBGD COC1(C(C)=NNC(=O)C(N)=O)CCC1 853260346 OXTFURBCLCJTOY-UHFFFAOYSA-N 213.237 -0.467 50 20 BBGD COCCN(C)NC(=O)Nc1nc(C)n(C)n1 879646822 JSNGQBVXZNGCTP-UHFFFAOYSA-N 242.283 -0.262 50 20 BBGD C[C@@H](O)CN(C)NC(=O)[C@@H](O)c1ccccn1 910152207 JQBAPSGHHNRDBK-SCZZXKLOSA-N 239.275 -0.541 50 20 BBGD C[C@@H](O)CN(C)NC(=O)c1cnc2[nH]cnc2c1 910155175 KNBUQVZZVBMHHH-SSDOTTSWSA-N 249.274 -0.085 50 20 BBGD CCOCC(=O)NNC(=S)NCCOC 913445820 SZAFSLUXCXAQLA-UHFFFAOYSA-N 235.309 -0.835 50 20 BBGD CCNC(=S)NNC(=O)[C@@H]1CCOC1 921208411 YYQXQSNJUJTWSB-ZCFIWIBFSA-N 217.294 -0.462 50 20 BBGD CN(NC(=O)[C@H]1CCNC(=O)C1)C1CC1 1118096355 NJXLNRUFGBVMPD-ZETCQYMHSA-N 211.265 -0.362 50 20 BBGD CCNC(=O)NNC(=O)c1cc(OC)n(C)n1 1342877259 SIRDMATYZAIRND-UHFFFAOYSA-N 241.251 -0.607 50 20 BBGD CSCC[C@H](N)CC(=O)NN(C)C(N)=O 1579380093 IIYDOANWLCNFMG-LURJTMIESA-N 234.325 -0.501 50 20 BBGD COC(=O)N(C)NC(=O)NCCOCC(=O)O 1598876177 UFIWEOIMYAIMHN-UHFFFAOYSA-N 249.223 -1.000 50 20 BBGD CC(C)CCC(=O)NCC(=O)NN(C)C(N)=O 181083924 XLMLPGJMTIDWBU-UHFFFAOYSA-N 244.295 -0.420 50 20 BBGD Cc1cc(C(=O)NNC(=O)C(C)(C)O)ccn1 279713029 KSMKOBUOIDOWHT-UHFFFAOYSA-N 237.259 -0.078 50 20 BBGD CCOC(=O)NNC(=O)[C@H](C)NC(C)=O 490597522 GKPLBCNCMGVYRE-YFKPBYRVSA-N 217.225 -0.712 50 20 BBGD CC[C@@](C)(CO)NCc1ccc(B(O)O)o1 585032883 PNDWENNQZJSFQV-JTQLQIEISA-N 227.069 -0.790 50 20 BBGD OB(O)c1ccccc1CNCCOC(F)F 585046795 BWWLVCJPVSKDMM-UHFFFAOYSA-N 245.034 -0.305 50 20 BBGD O=C([C@H]1CCCCO1)N1CC[C@H](B(O)O)C1 585064361 FLEYOCFSUCIHCV-DTWKUNHWSA-N 227.069 -0.369 50 20 BBGD COCC(C)=NNC(=O)C(=O)NC1CC1 750934244 SZNBSQPNNHMVAV-UHFFFAOYSA-N 213.237 -0.597 50 20 BBGD CCNC(=O)NNC(=O)c1ccn(C)c1 763298586 ADDUEMNLGDCSKO-UHFFFAOYSA-N 210.237 -0.011 50 20 BBGD C[C@@H]1CCCN(C(=O)C(=O)NN(C)C(N)=O)C1 768156795 KZQPUUULQCSLND-SSDOTTSWSA-N 242.279 -0.713 50 20 BBGD Cc1cn(C)nc1C(=O)NN(C)[C@@H](C)CO 823918162 RMXNOJAATXXVRH-QMMMGPOBSA-N 226.280 -0.314 50 20 BBGD CC(=O)CCC(=O)NN(C)[C@H](C)CO 823992860 DFVBDIYUQVMUDY-SSDOTTSWSA-N 202.254 -0.301 50 20 BBGD C=C[C@](C)(O)C(=O)NNC(=O)N(C)C 824626774 CFALTKNAZOCLMW-QMMMGPOBSA-N 201.226 -0.774 50 20 BBGD CCNC(=O)N(C)NC(=O)[C@@H]1CCN[C@@H]1C 831944553 BXPBMBGHSVOWSB-HTQZYQBOSA-N 228.296 -0.323 50 20 BBGD C#CCO[C@H](C)C(=O)NN(C)C(=S)NC 854921534 KVMBFXAAXDFVDJ-SSDOTTSWSA-N 229.305 -0.508 50 20 BBGD CC[C@H](C(=O)NNC(=O)c1cc[nH]n1)N(C)C 855358060 ZWKZTVWNFQDVIO-MRVPVSSYSA-N 239.279 -0.489 50 20 BBGD CCOCC(C)=NNC(=O)CS(C)(=O)=O 863189945 XLEHZBNNMLBYLK-UHFFFAOYSA-N 236.293 -0.440 50 20 BBGD CC[C@@H](C(=O)NNC(=O)c1cn[nH]c1)[C@H](C)O 863934617 FRMKDKIKALXHAZ-POYBYMJQSA-N 240.263 -0.422 50 20 BBGD O=C(NNC(=O)C1CSC1)c1ncccn1 868894113 OCCRIDNVCXAWSW-UHFFFAOYSA-N 238.272 -0.399 50 20 BBGD CC(C)[C@H](O)C(=O)NN(C)C[C@H](C)O 910154843 FTZLACFJZOITBJ-YUMQZZPRSA-N 204.270 -0.653 50 20 BBGD COC[C@H](C)NC(=S)NNC(=O)NC1CC1 920759465 OZSBGPSFCQTQCC-LURJTMIESA-N 246.336 -0.138 50 20 BBGD CCNC(=O)NNC(=O)Cc1ccn(C)n1 1327134638 NEECWXGEHKDLSR-UHFFFAOYSA-N 225.252 -0.687 50 20 BBGD COC(=O)C(=O)NN=C(C)c1cnc[nH]1 1328010873 SSTJMJQOZRNXFE-UHFFFAOYSA-N 210.193 -0.577 50 20 BBGD CCNC(=O)CC(=O)NNC(=S)NC(C)C 1342036994 PDRDTWRTIYZXAL-UHFFFAOYSA-N 246.336 -0.584 50 20 BBGD C[C@@H]1CC[C@@H]1NC(=O)NNC(=O)C(=O)O 1594333206 UNMNEOFJSUIDSX-UHNVWZDZSA-N 215.209 -0.800 50 20 BBGD C=C[C@H](NNC(=O)[C@H]1CCO[C@@H]1C)C(=O)O 1609272416 PPZFWYOLOKZFSZ-CSMHCCOUSA-N 228.248 -0.329 50 20 BBGD CCO[C@H]1C[C@@H]1C(=O)NNC(=O)N(C)C 194915570 LNYWKVPBBQEDKG-BQBZGAKWSA-N 215.253 -0.286 50 20 BBGD CCNC(=O)N(C)NC(=O)[C@H](C)OC 271468177 YFNQTWIEQKOTDG-LURJTMIESA-N 203.242 -0.286 50 20 BBGD COC(=O)N(C)NC(=O)Cc1cc(C)[nH]n1 286272456 IENYJNAOBRQNCO-UHFFFAOYSA-N 226.236 -0.010 50 20 BBGD COCCN(C)NC(=O)c1cnn(C)c1C 288401373 KQJNXFCPDLJUQB-UHFFFAOYSA-N 226.280 -0.048 50 20 BBGD Cc1nn(C)c(N)c1C=NNC(=O)N(C)C 378850879 FHBNEUFSCXMKHM-UHFFFAOYSA-N 224.268 -0.084 50 20 BBGD C#CCNC(=O)NNC(=O)[C@@H](C)OCCOC 490781108 WGCXFDVFVVOSMO-MRVPVSSYSA-N 243.263 -0.999 50 20 BBGD O=C(c1cccc(B(O)O)c1)N1CC[C@H]2C[C@H]2C1 585006001 PFVMWJIFYGEKAQ-ONGXEEELSA-N 245.087 -0.152 50 20 BBGD CO[C@H](C)CNCc1ccc(B(O)O)o1 585036444 HMNJKCXDHPESEO-SSDOTTSWSA-N 213.042 -0.916 50 20 BBGD C=CCC[C@@H](CO)NCc1cccc(B(O)O)c1 585045024 ZKVUNLOMROILHW-ZDUSSCGKSA-N 249.119 -0.217 50 20 BBGD C[C@H]1CC[C@H](CNCc2ccc(B(O)O)o2)O1 585045867 ITZPIIINGAYWFT-DTWKUNHWSA-N 239.080 -0.384 50 20 BBGD O=C(NCB(O)O)c1ccc(C(F)(F)F)cn1 585061697 XYGAEDFZYVREQY-UHFFFAOYSA-N 247.969 -0.158 50 20 BBGD CCC(=O)NNS(=O)(=O)C[C@H]1CCCO1 735646561 SKAWWXIZAKTPIV-SSDOTTSWSA-N 236.293 -0.474 50 20 BBGD CCc1c(C(=O)NNC(=O)OC)cnn1C 765853630 JGSLPFSXNDNUQJ-UHFFFAOYSA-N 226.236 -0.017 50 20 BBGD CCN1CCC(=NNC(=O)CO)[C@@H](C)C1 776779746 QDHIDHAPSJSMAL-QMMMGPOBSA-N 213.281 -0.187 50 20 BBGD CCN(CCO)NC(=O)c1ccc2nncn2c1 823856009 KIGITZSOOCQBGG-UHFFFAOYSA-N 249.274 -0.312 50 20 BBGD CN(NC(=O)Nc1nccn(C)c1=O)C1CC1 824265452 FJIMVNBFBLNXNE-UHFFFAOYSA-N 237.263 -0.089 50 20 BBGD C=C[C@](C)(O)C(=O)NN(C)C(=O)NCC 831858793 VTTIBVMNTGHTBL-VIFPVBQESA-N 215.253 -0.384 50 20 BBGD CCC(=O)NNC(=O)[C@@H](C)N1CC[C@@H](NC)C1 843344761 VSVWHYGADZDMLR-RKDXNWHRSA-N 242.323 -0.774 50 20 BBGD CC1(C)CNC(=O)[C@H]1NS(=O)(=O)CCl 851818070 OFBZGBXSECOJNZ-RXMQYKEDSA-N 240.712 -0.373 50 20 BBGD CS[C@H](C)C(=O)NNC(=O)c1cn[nH]c1 862474270 IFNQNXHCPQEBPV-RXMQYKEDSA-N 228.277 -0.078 50 20 BBGD CO[C@H](C)C(=O)NNC(=O)Cc1cc(C)[nH]n1 869012187 JNVQBSWFHOJPIK-SSDOTTSWSA-N 240.263 -0.557 50 20 BBGD CSCC[C@H](O)C(=O)NN(C)C[C@H](C)O 910155613 OAXPNGPCJBUKGJ-YUMQZZPRSA-N 236.337 -0.556 50 20 BBGD CC[C@](C)(O)C(=O)NNC(=O)NC(C)C 930993496 KVAFSTDLFFJEPI-VIFPVBQESA-N 217.269 -0.114 50 20 BBGD COC(=O)N(C)NC(=O)C1(O)CCOCC1 1117184122 MKLYGLMEBUFBSB-UHFFFAOYSA-N 232.236 -0.743 50 20 BBGD O=C(NNc1cccnn1)c1cn[nH]c1 1320057739 NQYGELJBMPQSHQ-UHFFFAOYSA-N 204.193 -0.043 50 20 BBGD NC(=O)C(=O)NN=Cc1cc(F)ncc1F 1323392082 RYAAJKRZCRJIOX-UHFFFAOYSA-N 228.158 -0.705 50 20 BBGD C[C@H]1C[C@H](C(=O)NNc2cnnn2C)CO1 1329573603 KJLVNZUVBMVRLK-BQBZGAKWSA-N 225.252 -0.317 50 20 BBGD Cc1cc(C=NNC(=O)[C@@H]2CCC(=O)N2)n(C)n1 1331820135 FFKMEPAFNNAYCV-VIFPVBQESA-N 249.274 -0.543 50 20 BBGD O=C(CCc1cnn[nH]1)NNC(=O)C1CC1 1331845097 CUJXJCQPKGIKIB-UHFFFAOYSA-N 223.236 -0.705 50 20 BBGD Cn1nncc1NNC(=O)c1cnc2n1CCC2 1334722885 KYYWPCDSIAYXHC-UHFFFAOYSA-N 247.262 -0.285 50 20 BBGD Cn1cnc(CNC(=O)NNc2ncccn2)n1 1341553595 NJZPIRXKTVZUKA-UHFFFAOYSA-N 248.250 -0.569 50 20 BBGD Cn1cc(/C=C(\C#N)C(=O)OCC(=O)O)cn1 1605490792 BYNIQNMJDUTOII-KRXBUXKQSA-N 235.199 -0.045 50 20 BBGD O=C(NCC1CC1)NNC(=O)c1cnccn1 25089346 IQXSAMIXRLWQDJ-UHFFFAOYSA-N 235.247 -0.169 50 20 BBGD C[C@]1(NNC(=O)NC2CC2)CCS(=O)(=O)C1 42933305 TYBHEMMXQSNYJT-VIFPVBQESA-N 247.320 -0.470 50 20 BBGD CCCOCC(=O)NNC(=O)c1cnn(C)c1 117680507 QPXLDYFYZIFZNA-UHFFFAOYSA-N 240.263 -0.392 50 20 BBGD CC[C@@H](C(=O)NNC(=O)NC)C(=O)OC 276841537 PCZVHDUGRDAQIK-YFKPBYRVSA-N 217.225 -0.854 50 20 BBGD COCCN(C)NC(=O)c1nccn2ccnc12 288594803 SRNVHXVYQKAFCA-UHFFFAOYSA-N 249.274 -0.048 50 20 BBGD C=CCOCCOc1ccc(B(O)O)cc1 385425970 LKKRBEMNZPHOFC-UHFFFAOYSA-N 222.049 -0.052 50 20 BBGD CC[C@H](O)[C@H](CC)NCc1ccc(B(O)O)o1 585044779 UCLMULNHYLJQKO-UWVGGRQHSA-N 241.096 -0.402 50 20 BBGD CO[C@@H](C(=O)NCB(O)O)c1ccc(F)cc1 585062400 ICXBHHGIFXZETF-SECBINFHSA-N 241.027 -0.359 50 20 BBGD CN(C)CC(=O)NNC(=O)CC(F)(F)F 727485251 LEXBGDABIYJALB-UHFFFAOYSA-N 227.186 -0.352 50 20 BBGD O=C(Cc1cc[nH]n1)NNC(=O)c1ccncc1 730090501 DYAQGIUUZBPDGU-UHFFFAOYSA-N 245.242 -0.192 50 20 BBGD CCC(=O)N[C@@H](C)C(=O)NN(C)C(=O)OC 804124092 APVWSKIKYIGNBC-LURJTMIESA-N 231.252 -0.370 50 20 BBGD CC[C@@H](CO)C(=O)NN(CC)CCO 823873523 CIGKRTAZORDMKE-QMMMGPOBSA-N 204.270 -0.650 50 20 BBGD CCN(CCO)NC(=O)/C=C(/C)COC 823893407 IKIYPJBBPQOFNW-CLFYSBASSA-N 216.281 -0.076 50 20 BBGD C=C[C@H](O)C(=O)NNC(=O)NCCC 823951548 RZGULLKTARRQSY-LURJTMIESA-N 201.226 -0.726 50 20 BBGD C[C@@H](CO)N(C)NC(=O)c1cc(C#N)c[nH]1 823952129 OUTNKPBTIIXEQJ-ZETCQYMHSA-N 222.248 -0.156 50 20 BBGD O=C(CO)NNC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 846637177 VNUZPGKDJRFGBY-HRDYMLBCSA-N 224.260 -0.272 50 20 BBGD CCCn1nccc1C(=O)NNC(=O)CO 857170824 SVUAOSNATVDVJJ-UHFFFAOYSA-N 226.236 -0.954 50 20 BBGD CCO[C@@H](C)C(=O)NNC(=O)COCCOC 869910553 JWTPZWCDJXPNEK-QMMMGPOBSA-N 248.279 -0.778 50 20 BBGD C[C@@H](O)CN(C)NC(=O)Cc1cncn1C 910160213 MBOAELNIHLHRRF-MRVPVSSYSA-N 226.280 -0.694 50 20 BBGD CC(=O)NCCCCCC(=O)NN(C)C(N)=O 1116449691 WGPZHLVKILRBNI-UHFFFAOYSA-N 244.295 -0.275 50 20 BBGD C=C[C@H](O)C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 1118773279 HLYRPGZUQSAQRA-PRJMDXOYSA-N 228.248 -0.894 50 20 BBGD C[C@H](CO)N(C)NC(=O)C[C@H]1CCOC1 1119047250 FOEJAKKCOMRLAR-RKDXNWHRSA-N 216.281 -0.243 50 20 BBGD CC(=O)NNC(=O)[C@@H]1CCc2cnn(C)c2C1 1321319161 RAAFSYDVPLDZQT-MRVPVSSYSA-N 236.275 -0.308 50 20 BBGD CC(C)C(=O)NNC(=O)NCC[S@](C)=O 1321894483 XTQXTYIUGGYCFD-HNNXBMFYSA-N 235.309 -0.649 50 20 BBGD O=C(O)C(=O)NN=Cc1ccccc1O 1608531132 RRATZDLBSGWCLZ-UHFFFAOYSA-N 208.173 -0.073 50 20 BBGD CC(C)OCCCC(=O)NNC(=O)CN(C)C 182723684 AOIQAAKUYOUQPC-UHFFFAOYSA-N 245.323 -0.099 50 20 BBGD COCC(=O)NNc1nc2ccccn2n1 191906963 ZFWMRPYYXHPGEL-UHFFFAOYSA-N 221.220 -0.181 50 20 BBGD COc1cncc(C(=O)NNC(=O)C2CC2)n1 276523938 BHCDUWLDRCVMHC-UHFFFAOYSA-N 236.231 -0.344 50 20 BBGD CC1(C(=O)Nc2cccc(B(O)O)c2)COC1 584912555 GYZJQXXTGVJSFY-UHFFFAOYSA-N 235.048 -0.659 50 20 BBGD O=C(c1ccc(B(O)O)cc1)N1CC[C@H]2C[C@H]2C1 585005731 LLZJRCXRDQICLF-QWRGUYRKSA-N 245.087 -0.152 50 20 BBGD Cc1cc(S(=O)(=O)NCB(O)O)cs1 585059459 OMAZRWXNYBCADT-UHFFFAOYSA-N 235.095 -0.653 50 20 BBGD O=C(NCB(O)O)c1scc2c1OCCO2 585062201 CZVDNBUZOHMWER-UHFFFAOYSA-N 243.049 -0.739 50 20 BBGD CC(C)CCO[C@@H](C)C(=O)NCB(O)O 585063184 ZUILNVWMXRIJBC-QMMMGPOBSA-N 217.074 -0.434 50 20 BBGD Cc1n[nH]cc1C(=O)NNC(=O)C1=COCC1 734128508 MTOWGMYBIUPHDC-UHFFFAOYSA-N 236.231 -0.217 50 20 BBGD Cc1cc(C(=O)NNC(=O)c2cnn(C)c2)on1 735446085 VFSLCIXHNITTFI-UHFFFAOYSA-N 249.230 -0.209 50 20 BBGD CC(C)NC(=O)NNC(=O)CCCNC(=O)O 736476981 YGYHPQNCDYVILY-UHFFFAOYSA-N 246.267 -0.227 50 20 BBGD Cc1nc(C(=O)NNC(=O)CO)c2ccccn12 753438572 GCVPROFMEGJURK-UHFFFAOYSA-N 248.242 -0.604 50 20 BBGD CCOCC(=O)NN=Cc1cn(C)nn1 755705238 XAINEPQVXKTURE-UHFFFAOYSA-N 211.225 -0.698 50 20 BBGD CCCCNC(=O)NNC(=O)C(C)(C)C(N)=O 767722779 MIZVEBVZSFDDBU-UHFFFAOYSA-N 244.295 -0.372 50 20 BBGD COC(=O)C[C@@H](C)CC(=O)NNC(C)=O 809548013 ZLRNWSBARKYEGB-LURJTMIESA-N 216.237 -0.257 50 20 BBGD CCN(CCO)NC(=O)c1ccn(C)c(=O)c1 823846284 HJRUXPYATSTWAZ-UHFFFAOYSA-N 239.275 -0.656 50 20 BBGD COC1(C(=O)NN(C)[C@H](C)CO)CCC1 823934565 HRWKSTRCTZSJEE-MRVPVSSYSA-N 216.281 -0.101 50 20 BBGD C[C@@H]1[C@H](C(=O)NNc2nc[nH]n2)CCN1C 844145194 YTXARNPDRUSKQQ-RNFRBKRXSA-N 224.268 -0.412 50 20 BBGD C[C@@H](CNC(=O)NNc1ncccn1)C(=O)O 848585859 DZSBTNCIMMOYQX-LURJTMIESA-N 239.235 -0.177 50 20 BBGD CON=CC(=O)NNC(=S)NCC1CCC1 855089890 KVNQNVMDBFGNJS-UHFFFAOYSA-N 244.320 -0.086 50 20 BBGD CN(NC(=O)[C@@H]1CCOC(=O)N1)C1CC1 862037936 OVCOCANXRDNFHH-ZETCQYMHSA-N 213.237 -0.390 50 20 BBGD CCNC(=O)NNC(=O)/C=C\COC 865015637 FJEIBIYPFYTOHR-PLNGDYQASA-N 201.226 -0.461 50 20 BBGD C#CCCCC(=O)NNC(=O)CCOCC#C 887145829 SZLKXKDIAGPSDT-UHFFFAOYSA-N 236.271 -0.023 50 20 BBGD CC[C@@H](CO)C(=O)NNc1ccncn1 908550371 GSMZTXOGNQEJLL-ZETCQYMHSA-N 210.237 -0.062 50 20 BBGD CCN1CCOC[C@H]1C(=O)NN(C)C[C@H](C)O 910153588 CKUURQZAUWIRBQ-UWVGGRQHSA-N 245.323 -0.949 50 20 BBGD O=C(Cc1cc[nH]n1)NNC(=O)Cc1cc[nH]n1 1116560449 NETRNIGHDITEOT-UHFFFAOYSA-N 248.246 -0.935 50 20 BBGD CC(=NNC(=O)CCO)c1cn(C)cn1 1261894767 JLJMIFJQTDSLCF-UHFFFAOYSA-N 210.237 -0.357 50 20 BBGD CCNC(=O)NNC(=O)[C@@H](C)n1ccnc1 1317999047 QOSDUCMYDSWSCC-SSDOTTSWSA-N 225.252 -0.206 50 20 BBGD COC(=O)C(=O)NNC(=O)NC[C@H]1CC1(C)C 1318882291 KXGNIJZFDLMKPQ-ZCFIWIBFSA-N 243.263 -0.464 50 20 BBGD O=C(NNc1nc[nH]n1)c1cnn2cccnc12 1324335989 VBGKBOAZEJOTLS-UHFFFAOYSA-N 244.218 -0.396 50 20 BBGD NC(=O)c1csc(C=NNC(=O)CCO)c1 1332053881 SNCDRWJXVAHMNL-UHFFFAOYSA-N 241.272 -0.321 50 20 BBGD COC(=O)C(=O)NN=C1CN(C(C)C)C[C@H]1C 1340141855 KPBVWOPPDKEBGL-MRVPVSSYSA-N 241.291 -0.008 50 20 BBGD CN(N)C(=O)CCN/C(O)=C1\N=CC=CC1=O 1573877096 CMJSAEMEBMBFIZ-MDZDMXLPSA-N 238.247 -0.765 50 20 BBGD CCN1CCC(=NNC(=O)C(=O)O)[C@H](C)C1 1596403116 UPKWJFKIZKPPKT-SSDOTTSWSA-N 227.264 -0.095 50 20 BBGD CCO/C=C(\C#N)C(=O)N[C@H](COC)C(=O)O 1605618150 GUHCWSXNMOLNDN-WVXIBAHESA-N 242.231 -0.354 50 20 BBGD CN(C)CC(=O)NNC(=O)[C@@H]1CCCCO1 157232228 WYVXKVOVRYUHTF-QMMMGPOBSA-N 229.280 -0.736 50 20 BBGD COC(=O)[C@@H]1C[C@@H]1C(=O)NNC(=O)N(C)C 263903823 RAKVSQOQOHYTQM-NTSWFWBYSA-N 229.236 -0.902 50 20 BBGD COC(=O)NCC(=O)NNC(=O)CC(C)(C)C 264011820 GCRGJVQMFBZWCC-UHFFFAOYSA-N 245.279 -0.074 50 20 BBGD CC(C)(O)CC(=O)NNC(=O)c1ccc[nH]1 279925304 KSJOEBKHJZFWKT-UHFFFAOYSA-N 225.248 -0.063 50 20 BBGD COC(=O)N(C)NC(=O)[C@H](O)c1ccccn1 286524353 XVOTWJMJPUBLMX-MRVPVSSYSA-N 239.231 -0.156 50 20 BBGD OB(O)c1ccc(CNC[C@H]2CC23CC3)o1 585046431 RGJUECFURZQAMF-MRVPVSSYSA-N 221.065 -0.151 50 20 BBGD CC[C@@H]1CC[C@H](C(=O)NCB(O)O)O1 585059873 DSJMXENNZSIYKH-RNFRBKRXSA-N 201.031 -0.928 50 20 BBGD Cn1cnc([N+](=O)[O-])c1N1CC[C@@H](B(O)O)C1 585074472 ZCUHTRRTJWAUSH-ZCFIWIBFSA-N 240.028 -0.619 50 20 BBGD COCCOCC(=O)NNC(=S)NC(C)C 733124056 PZYARPMHEGXUHW-UHFFFAOYSA-N 249.336 -0.447 50 20 BBGD CN(C)CC(=O)NNC(=O)COC1CCCC1 733359714 XUEWDBYAAAVWHK-UHFFFAOYSA-N 243.307 -0.345 50 20 BBGD CCCNC(=O)NNC(=O)[C@@H]1CCCN1C 733870523 SCBBCQICQRXJPA-QMMMGPOBSA-N 228.296 -0.179 50 20 BBGD O=C(NNC(=O)[C@@H]1C[C@H]1C(=O)O)c1ccc[nH]1 739454540 SFPWMXYDEGHDFO-PHDIDXHHSA-N 237.215 -0.504 50 20 BBGD CN(NC(=O)c1ccc2nccn2c1)C(N)=O 778417737 DIBZSRNQCWXLHF-UHFFFAOYSA-N 233.231 -0.010 50 20 BBGD CN(NC(=O)CC[C@@H]1CCOC1)C(N)=O 778418568 NKFRHTQPVPMVQB-SSDOTTSWSA-N 215.253 -0.155 50 20 BBGD Cn1ccc(CC(=O)NNC(=O)C2CCC2)n1 782682501 IBJANZBWWAXEJA-UHFFFAOYSA-N 236.275 -0.090 50 20 BBGD COc1ccc(S(=O)(=O)NNC(C)=O)cn1 795275470 DRMUJMJOTLWVEF-UHFFFAOYSA-N 245.260 -0.580 50 20 BBGD C[C@H](CS(C)(=O)=O)C(=O)NN(C)C1CC1 819648516 GXOZIPXUPPGGDB-SSDOTTSWSA-N 234.321 -0.208 50 20 BBGD C=C[C@@](C)(O)C(=O)NN(C)[C@@H](C)CO 823917005 CJYCCXBPIHDONQ-IONNQARKSA-N 202.254 -0.733 50 20 BBGD CC[C@@H](C(=O)NNC(=O)c1cn[nH]c1)N(C)C 862472165 GTRJCMKUCJELEA-QMMMGPOBSA-N 239.279 -0.489 50 20 BBGD CCn1cc(C=NNC(=O)[C@H]2CCC(=O)N2)cn1 863149015 PBMFBGCMXFBTSB-SECBINFHSA-N 249.274 -0.368 50 20 BBGD O=C(NC1(CCO)CC1)c1ccc(B(O)O)cc1 868547344 WRTHXEKEMFOASN-UHFFFAOYSA-N 249.075 -0.989 50 20 BBGD C[C@H]1COCC1=NNC(=O)CN1CCCC1=O 884402014 IKICBMBLDDFNFN-QMMMGPOBSA-N 239.275 -0.253 50 20 BBGD CNC(=S)N(C)NC(=O)CCc1cn[nH]c1 909993216 LHMZGWFGOCBFSP-UHFFFAOYSA-N 241.320 -0.190 50 20 BBGD CC(C)(C)C(=O)NNC(=O)[C@@H]1CCC(=O)NC1 917180786 XIKXWITZXICHIB-SSDOTTSWSA-N 241.291 -0.294 50 20 BBGD COCc1ncc(C(=O)NN(C)C(N)=O)s1 1117143437 PMGUONBYADLZMA-UHFFFAOYSA-N 244.276 -0.055 50 20 BBGD CCc1nn(C)cc1C(=O)NNC(=O)NC 1324784846 NERCXUZGLFCBGN-UHFFFAOYSA-N 225.252 -0.444 50 20 BBGD COC(=O)C(=O)NNC(=O)N[C@@H]1CC[C@H](C)C1 1331244849 NSEOLRPSGUCFEN-NKWVEPMBSA-N 243.263 -0.322 50 20 BBGD Cc1n[nH]cc1C(=O)N1CC[C@H](B(O)O)C1 1331894784 HAZCIHRTCGTRAF-ZETCQYMHSA-N 223.041 -0.593 50 20 BBGD O=C(NCCCF)NNC(=O)c1cn[nH]c1 1348110260 GAXVBRXEQAPXNM-UHFFFAOYSA-N 229.215 -0.287 50 20 BBGD O=C(O)CNC(=O)NN=C1CN2CCC1CC2 1602071512 YAPJTWBPKMMEIH-UHFFFAOYSA-N 240.263 -0.548 50 20 BBGD CC[C@@H](C)C(=O)NNS(=O)(=O)N(C)C 172886098 XDYHDGSSDSEBAO-ZCFIWIBFSA-N 223.298 -0.540 50 20 BBGD O=C(NNC(=O)[C@@H]1CCCO1)C(F)F 294624528 KXWCSFDVMIZBNS-BYPYZUCNSA-N 208.164 -0.422 50 20 BBGD O=C1NCC[C@H]1CCOc1ccc(B(O)O)cc1 584909855 JFWCBYJKPRIQOI-VIFPVBQESA-N 249.075 -0.729 50 20 BBGD Cc1cc(C(=O)NNC(=O)[C@H](C)C#N)n[nH]1 768279046 SGYTVZJWMRZJER-RXMQYKEDSA-N 221.220 -0.361 50 20 BBGD C[C@@H](NS(C)(=O)=O)C(=O)NN=CC1(C)CC1 782221693 NCXXVFVSMJHVRE-SSDOTTSWSA-N 247.320 -0.174 50 20 BBGD Cc1c[nH]nc1C=NNC(=O)C(=O)NC(C)C 814776967 LZUUJRVPWXKMLM-UHFFFAOYSA-N 237.263 -0.307 50 20 BBGD COC(=O)CNC(=O)NN=C[C@H]1CCCOC1 814900886 MPSWNYQLIRXGTG-MRVPVSSYSA-N 243.263 -0.129 50 20 BBGD C#CC[C@@H](CO)NC(=O)/C(C#N)=C/OCC 820055338 XLTNOMCHTNHUAJ-DDXVTDLHSA-N 222.244 -0.069 50 20 BBGD C[C@H](CO)N(C)NC(=O)c1csnn1 823971455 UOJQNAFVFILXSK-RXMQYKEDSA-N 216.266 -0.505 50 20 BBGD C[C@@H](CO)N(C)NC(=O)c1cnccn1 823993231 NCTRMRUEVWBYPG-ZETCQYMHSA-N 210.237 -0.566 50 20 BBGD C[C@@H](CC(=O)O)C(=O)NNC(=O)NC1CC1 827304626 YPMKBZUJOSGQFR-YFKPBYRVSA-N 229.236 -0.410 50 20 BBGD C[C@@H](C(=O)O)N(C)S(=O)(=O)CCl 841775630 CRNHMVWOILNALX-BYPYZUCNSA-N 215.658 -0.083 50 20 BBGD CCO[C@@H]1C[C@@H]1C(=O)NNC(=O)c1cc[nH]n1 855359064 DQUWSTGUPUPEMU-POYBYMJQSA-N 238.247 -0.404 50 20 BBGD Cn1cc([C@@H](O)C(=O)NNc2ccccn2)cn1 857481428 ACRZMJIFWSBXSA-SNVBAGLBSA-N 247.258 -0.008 50 20 BBGD C=CCCOCC(=O)NNC(=O)c1cn[nH]c1 862474861 RHXFBLHAECQKML-UHFFFAOYSA-N 238.247 -0.237 50 20 BBGD CC(=O)N1CC(C(=O)NN=c2cc[nH]c(C)c2)C1 862511934 DDXFIFLZPQQZDM-UHFFFAOYSA-N 248.286 -0.267 50 20 BBGD C[C@H](O)CN(C)NC(=O)C1CSC1 910146899 MYGUBYBFZJDCRF-LURJTMIESA-N 204.295 -0.307 50 20 BBGD COc1nccc(C(=O)NNC(=O)C2CC2)n1 929229430 BHLBWCADLGJXBQ-UHFFFAOYSA-N 236.231 -0.344 50 20 BBGD CCCNC(=S)NNC(=O)C(=O)OC 1116191685 MBHWFCHMPOLXGX-UHFFFAOYSA-N 219.266 -0.935 50 20 BBGD C#Cc1ccc(C(=O)NN(C)C(N)=O)cn1 1116502818 DJPWVUSLSQYAQD-UHFFFAOYSA-N 218.216 -0.282 50 20 BBGD CCNC(=O)NNC(=O)c1cccc(C#N)n1 1117706144 WQGLJKBHUCEBGR-UHFFFAOYSA-N 233.231 -0.083 50 20 BBGD CCC1(C=NNC(=O)C(N)=O)CCOCC1 1319964870 UQHIOMJSXYHWPE-UHFFFAOYSA-N 227.264 -0.220 50 20 BBGD Cc1ncc(C(=O)NNc2nc[nH]n2)c(C)n1 1327869601 XMAOPXIARPFFTA-UHFFFAOYSA-N 233.235 -0.032 50 20 BBGD C[C@H]1CC[C@@H]1NC(=O)NNC(=O)C(=O)O 1594333207 UNMNEOFJSUIDSX-WHFBIAKZSA-N 215.209 -0.800 50 20 BBGD COCC[C@H](NC=C(C#N)C#N)C(=O)O 1599219378 XSQUODCDNRZOKM-QMMMGPOBSA-N 209.205 -0.003 50 20 BBGD COC[C@H](O)CNS(=O)(=O)CCCCl 70590873 MHUGBKOYPOPFGY-SSDOTTSWSA-N 245.728 -0.458 50 20 BBGD CO[C@@H](C)CC(=O)NNC(=O)c1cc(C)n[nH]1 151185004 ZFKPVKIIGBHJAY-ZETCQYMHSA-N 240.263 -0.096 50 20 BBGD O=C(CO)NNC(=O)C1(c2ccccc2)CC1 180949716 DCGKAWNLKHSMOI-UHFFFAOYSA-N 234.255 -0.142 50 20 BBGD COC(=O)C[C@H](C)C(=O)NNC(=O)OC 274288507 LUHBMAAVZUOYBK-YFKPBYRVSA-N 218.209 -0.427 50 20 BBGD CCONC(=O)NNC(=O)[C@@H]1CCCO1 292495108 CSYXSDDEVHZEKD-LURJTMIESA-N 217.225 -0.553 50 20 BBGD CC[C@H](C(=O)NNC(=O)OC)N1CCCC1=O 495406814 FZGKPCGPWRHDLD-SSDOTTSWSA-N 243.263 -0.225 50 20 BBGD CNC(=O)C1(C(=O)NN(C)C(=O)OC)CC1 495624803 ILXUVSSZQCZXBM-UHFFFAOYSA-N 229.236 -0.758 50 20 BBGD COc1nc(C)cc(N2CC[C@H](B(O)O)C2)n1 585078901 PBYRRKMXGKARMA-QMMMGPOBSA-N 237.068 -0.153 50 20 BBGD CCCCNC(=O)NNC(=O)[C@H]1C[C@@H]1C(=O)O 736999231 UMRSOOZKEXLBPU-BQBZGAKWSA-N 243.263 -0.162 50 20 BBGD CCC1(C(=O)NNC(=O)C2CC2)COC1 755039254 QJBKNXMGMABPMV-UHFFFAOYSA-N 212.249 -0.030 50 20 BBGD CCC(=O)NNS(=O)(=O)N1CC[C@@H](C)C1 777906738 FNTBJUDJUXHHNO-SSDOTTSWSA-N 235.309 -0.396 50 20 BBGD CC(C)NC(=O)CCCC(=O)NN(C)C(N)=O 778412864 SXLHLGABRYEBLS-UHFFFAOYSA-N 244.295 -0.277 50 20 BBGD CC(C)(O)C(=O)NNC(=O)C[C@H]1CCCOC1 793925398 NLEHHJWRATUWSW-MRVPVSSYSA-N 244.291 -0.279 50 20 BBGD Cn1cncc1CC(=O)NNC(=O)c1ccc[nH]1 806321795 AAPHZVYZZASRGX-UHFFFAOYSA-N 247.258 -0.248 50 20 BBGD CC[C@](C)(O)C(=O)NN(C)C(=S)NC 822547527 NJHFYJVAJACOBH-QMMMGPOBSA-N 219.310 -0.385 50 20 BBGD C[C@H](CO)N(C)NC(=O)C1(N(C)C)CC1 823917401 IGWHKHXHBOMLJZ-MRVPVSSYSA-N 215.297 -0.576 50 20 BBGD COCCCNC(=O)NN=Cc1cnon1 841621641 KVJZXMDAQKXSAR-UHFFFAOYSA-N 227.224 -0.261 50 20 BBGD CC(C)(CO)C(=O)NNC(=O)[C@@H]1CCCCO1 848157552 JIIUALRRYWKGFM-QMMMGPOBSA-N 244.291 -0.279 50 20 BBGD CNC(=S)N(C)NC(=O)[C@@H](C)CC(=O)OC 854924581 LEIHVTHQXMZKRS-LURJTMIESA-N 247.320 -0.347 50 20 BBGD C[C@@H](C#N)C(=O)NNC(=O)c1cc[nH]n1 855358295 FHHIXYOWVIGJEK-YFKPBYRVSA-N 207.193 -0.670 50 20 BBGD Cc1cc(=NNC(=O)[C@@H]2CC[C@@H]2C(N)=O)cc[nH]1 862514314 XJVXHXPLWAGFAS-VHSXEESVSA-N 248.286 -0.233 50 20 BBGD C[C@H]1CN(C)CC1=NNC(=O)[C@H]1CCC(=O)N1 863148411 BKXGPOIBTMECIQ-JGVFFNPUSA-N 238.291 -0.681 50 20 BBGD COC/C=C/C(=O)NNC(=O)NCC1CC1 865016088 VVECTHDVBHTUCL-NSCUHMNNSA-N 227.264 -0.071 50 20 BBGD CC(C)C(=O)NNC(=O)CN1CCOC1=O 873797644 VFJADEOSSXIVMB-UHFFFAOYSA-N 229.236 -0.758 50 20 BBGD CC[C@H](O)[C@@H](C)C(=O)NNC(=O)C(C)(C)O 907624714 CVVLYHAIVPMQFP-RQJHMYQMSA-N 232.280 -0.688 50 20 BBGD COC(=O)CC(=O)NNC(=O)CC1CC1 908448986 NYBXSMPSORDACH-UHFFFAOYSA-N 214.221 -0.503 50 20 BBGD O=C(NN=c1cc[nH]cc1)c1c[nH]nc1[N+](=O)[O-] 1116932582 RVXJADMDGCQPCS-UHFFFAOYSA-N 248.202 -0.108 50 20 BBGD CNC(=O)NNC(=O)C1(OC)CCOCC1 1116984111 YZDXAVITZJYLCG-UHFFFAOYSA-N 231.252 -0.858 50 20 BBGD O=C(c1n[nH]c2c1CCC2)N1CC[C@@H](B(O)O)C1 1118916158 LSEBXUCWCAHPGY-SSDOTTSWSA-N 249.079 -0.413 50 20 BBGD Cn1cncc1CC(=O)NNC(=O)CC1CC1 1261264525 UODZNHZPYRGLFJ-UHFFFAOYSA-N 236.275 -0.090 50 20 BBGD CO[C@H](C)CC(=O)N1CC[C@H](B(O)O)C1 1261844522 QYFYKAPHZVLFLE-SFYZADRCSA-N 215.058 -0.513 50 20 BBGD CCOc1ccc(C(=O)NNC(=O)CO)cn1 1319876996 JFBRKHZYRLFIPV-UHFFFAOYSA-N 239.231 -0.766 50 20 BBGD C#CCN1CCC(C(=O)NNC(C)=O)CC1 1327930328 CNPVDRWDEIYJFL-UHFFFAOYSA-N 223.276 -0.501 50 20 BBGD O=C(NNc1ccncn1)[C@H]1COCCO1 1334802348 FWTHQYYITCFZTA-SSDOTTSWSA-N 224.220 -0.665 50 20 BBGD COc1cc(C(=O)NNC(C)=O)nn1C 1338250827 LWLVEFZPPGJNEF-UHFFFAOYSA-N 212.209 -0.790 50 20 BBGD C[C@@H](O)[C@H](N)C(=O)NCCCSC#N 1574086794 ZSQOXFUXPQPPSU-RQJHMYQMSA-N 217.294 -0.585 50 20 BBGD C#CCn1ccnc1C=NNC(=O)C(=O)O 1588511004 QVYDBSWJLNZUCY-UHFFFAOYSA-N 220.188 -0.949 50 20 BBGD O=C(O)[C@H](CCF)NS(=O)(=O)CCl 1601644625 IZBSNLUKWADQEO-BYPYZUCNSA-N 233.648 -0.085 50 20 BBGD NNC(=O)c1ccc(CN2C(=O)CNC2=O)cc1 70169243 MPQHFMVEOVIQDG-UHFFFAOYSA-N 248.242 -0.658 50 20 BBGD CC[C@H]1CN([C@@H](CC)C(=O)NN)CCO1 82467637 VKDJBYPZYYKZEG-IUCAKERBSA-N 215.297 -0.134 50 20 BBGD COCCN(C)NC(=O)c1nccnc1N 288345163 FXPYFPQPQQAOPM-UHFFFAOYSA-N 225.252 -0.718 50 20 BBGD C[C@H]1C[C@H]1CNC(=O)c1cccc(B(O)O)c1 584929775 PRWATIUESKMWFL-WPRPVWTQSA-N 233.076 -0.248 50 20 BBGD CC1(C)C[C@@H](NCc2ccc(B(O)O)o2)CO1 585046506 WCLLYWRYGQCFJU-MRVPVSSYSA-N 239.080 -0.384 50 20 BBGD CC(C)(O)C(=O)NNC(=O)Cc1ccncc1 756836849 KKQALNMIPNDQHM-UHFFFAOYSA-N 237.259 -0.458 50 20 BBGD CCC(=O)NN=C1CCN(CCO)CC1 819802062 YAQHGQCNRAJERF-UHFFFAOYSA-N 213.281 -0.043 50 20 BBGD CCN(CCO)NC(=O)COC(C)C 823852930 SWERLPXAGNSYQR-UHFFFAOYSA-N 204.270 -0.243 50 20 BBGD C=C(CO)C(=O)NNC(=O)[C@@H]1CCO[C@H]1C 843972603 VEKCJKCKVREVKG-JGVFFNPUSA-N 228.248 -0.893 50 20 BBGD Cc1cc(=NNC(=O)[C@H]2CCC(=O)N2)cc[nH]1 862508828 YCIZBGCDHDDEEH-SECBINFHSA-N 234.259 -0.466 50 20 BBGD COC(=O)[C@@H](C)NCc1ccccc1B(O)O 863891350 NIVOOVNNPSRKEG-MRVPVSSYSA-N 237.064 -0.983 50 20 BBGD CO[C@]1(C(=O)NNC(C)=O)CCSC1 895477248 YPIPGUYUVGXGML-MRVPVSSYSA-N 218.278 -0.324 50 20 BBGD CC[C@@H](C(=O)NN(C)C[C@H](C)O)C(=O)OC 910153729 UJUFFMJIPVBBON-YUMQZZPRSA-N 232.280 -0.471 50 20 BBGD NC(=O)C(=O)NN=C1COc2cc(O)ccc21 915935884 VMCNFGVDRQKABF-UHFFFAOYSA-N 235.199 -0.910 50 20 BBGD C=C[C@@H]1OCC[C@H]1C(=O)NNc1cnnn1C 1183570248 DVKCXULCDSFDLA-SFYZADRCSA-N 237.263 -0.151 50 20 BBGD Cc1n[nH]cc1S(=O)(=O)NNC(=O)N(C)C 1318384776 BWJRVEVHSXFZLE-UHFFFAOYSA-N 247.280 -0.817 50 20 BBGD Cc1nn(C)cc1CCC(=O)NN(C)C(N)=O 1320841955 FYNRCDBGLSGPTC-UHFFFAOYSA-N 239.279 -0.297 50 20 BBGD O=C(NNC(=O)C1CC1)c1cccc(O)n1 1321462683 VJTDGKMTUKINOB-UHFFFAOYSA-N 221.216 -0.042 50 20 BBGD CC(=O)NNC(=O)c1cnc([C@@H](C)O)s1 1321827032 UNXRITIHLYSYAD-SCSAIBSYSA-N 229.261 -0.023 50 20 BBGD CC(=O)NNC(=O)CCn1ccccc1=O 1338021010 SBICJSLXELOIRV-UHFFFAOYSA-N 223.232 -0.594 50 20 BBGD NNC(=O)c1ccccc1SCC(N)=O 1349398002 BRQCJFGXRWCTJT-UHFFFAOYSA-N 225.273 -0.133 50 20 BBGD Cc1cccc(C(=O)NNC(=O)CC(=O)O)n1 1607839785 YFADWZLVSHTLGD-UHFFFAOYSA-N 237.215 -0.374 50 20 BBGD C=CCCC(=O)NNc1ccc(C(N)=O)nn1 154352121 OKVNECQLHQVMKZ-UHFFFAOYSA-N 235.247 -0.015 50 20 BBGD Cc1cncc(C(=O)NNC(=O)CN(C)C)c1 266418556 FADVTBMIQVFPJP-UHFFFAOYSA-N 236.275 -0.287 50 20 BBGD Cc1cc(C(=O)NNC(=O)C(F)F)[nH]n1 273338565 KNVQVHUNGHBCNL-UHFFFAOYSA-N 218.163 -0.256 50 20 BBGD C[C@@H]1CC(=O)NCCN1C(=O)CCl 306436823 DSPVKYACIWAUBD-ZCFIWIBFSA-N 204.657 -0.038 50 20 BBGD CC(C)NC(=O)NNC(=O)[C@@H]1CCOC1 745205925 GOAWWNWFFBWSJB-SSDOTTSWSA-N 215.253 -0.238 50 20 BBGD COCC(=O)NNC(=S)NCCSC 752761675 BKPNRDQFSIRZPJ-UHFFFAOYSA-N 237.350 -0.509 50 20 BBGD O=C(CO)NNC(=O)c1cccc2cnccc12 753438415 MZXIESJETJUTGH-UHFFFAOYSA-N 245.238 -0.012 50 20 BBGD Cc1nc[nH]c1C=NNC(=O)C(=O)N1CCCC1 755681282 WMVWALRUYYAGOO-UHFFFAOYSA-N 249.274 -0.209 50 20 BBGD Cn1c(C(=O)NNC(=O)C2CC2)cccc1=O 756855359 IOYAOHIWSQWFDZ-UHFFFAOYSA-N 235.243 -0.444 50 20 BBGD COc1nccnc1NNC(=O)c1cnc[nH]1 764464649 DCVARGWSLNEPDT-UHFFFAOYSA-N 234.219 -0.035 50 20 BBGD Cc1ccncc1C(=O)NNC(=O)C(C)(C)O 768259854 RDDDEOFVXSKDDK-UHFFFAOYSA-N 237.259 -0.078 50 20 BBGD CCOCC(=O)NN=C(C)c1cnnn1C 814842023 OUCPPWFNFQQCCI-UHFFFAOYSA-N 225.252 -0.308 50 20 BBGD Cn1cc(C=NNC(=O)Cc2cc[nH]n2)cn1 814957826 VQPVVINKUASAFA-UHFFFAOYSA-N 232.247 -0.164 50 20 BBGD CCN(CCO)NC(=O)c1cnc(O)n1C 823893742 VBEHHWLYYRUQQB-UHFFFAOYSA-N 228.252 -0.915 50 20 BBGD C[C@H](CO)N(C)NC(=O)c1cn(C2CC2)nn1 823907028 FYQYRLYZKQFVSA-SSDOTTSWSA-N 239.279 -0.430 50 20 BBGD CC1=NO[C@H](C(=O)NNC(=O)C(C)(C)O)C1 832754654 OGGXXAGRWGVIBM-LURJTMIESA-N 229.236 -0.931 50 20 BBGD O=C(NNC(=O)[C@H](O)C1CC1)[C@H]1CCCCO1 854684197 ZMUQWVDGHDFZAI-RKDXNWHRSA-N 242.275 -0.526 50 20 BBGD C[C@@](O)(C(=O)NNC(=O)c1cc[nH]n1)C1CC1 855355622 BSZAENHTTVADLM-JTQLQIEISA-N 238.247 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C=C(CN(C)C)C(=O)NNC(=O)c1cc[nH]n1 855356125 HPMPREBHCGIEGU-UHFFFAOYSA-N 237.263 -0.712 50 20 BBGD CC1=NO[C@H](CNCc2ccc(B(O)O)cc2)C1 895301849 LWJGFPDTLSDMTN-LBPRGKRZSA-N 248.091 -0.379 50 20 BBGD C[C@@H](O)CN(C)NC(=O)Cc1ccn(C)n1 910146305 IJKKDXWZXDOHIU-MRVPVSSYSA-N 226.280 -0.694 50 20 BBGD CCOC(=O)[C@H](CC)C(=O)NN(C)C[C@H](C)O 910147741 SRUHLLFAUKAEBF-DTWKUNHWSA-N 246.307 -0.081 50 20 BBGD CC(C)NC(=S)NNC(=O)[C@@H]1COCCO1 915188118 TWDFBNHTLXEPII-ZETCQYMHSA-N 247.320 -0.695 50 20 BBGD CCCNC(=O)NNC(=O)[C@H](C)NC(C)=O 921042579 BEVBFIQZLATSOQ-LURJTMIESA-N 230.268 -0.749 50 20 BBGD CCO[C@H](C)C(=O)N1CC[C@H](B(O)O)C1 1348490589 TYHAOFIQTKSNGL-SFYZADRCSA-N 215.058 -0.513 50 20 BBGD NC(=O)C(=O)NNC(=O)CCc1ccccc1 1348945505 VSPQBIUUWWIXJG-UHFFFAOYSA-N 235.243 -0.748 50 20 BBGD CO[C@@H]1CCC[C@@H]1C(=O)NNC(=O)CCCN 1578936114 AWOCBKBDAZPNSZ-DTWKUNHWSA-N 243.307 -0.312 50 20 BBGD Cc1ccn(CC(=O)NN(C)C(N)=O)c(=O)c1 195036408 NRVQMQQPLFTRHM-UHFFFAOYSA-N 238.247 -0.802 50 20 BBGD COCCN(C)NC(=O)c1c[nH]c(C)n1 288517425 VSNDSSKJBRWEEU-UHFFFAOYSA-N 212.253 -0.059 50 20 BBGD COC(=O)NNC(=O)[C@@H](C)OC[C@H]1CCCO1 495449683 YYPQTJQUHOMEEA-HTQZYQBOSA-N 246.263 -0.042 50 20 BBGD O=C(NCB(O)O)[C@@H]1C[C@H]1c1ccsc1 585062907 PMLYGBJTNIQOIV-JGVFFNPUSA-N 225.078 -0.020 50 20 BBGD N#Cc1ccc(C(=O)NCB(O)O)cc1 585062961 QNAUVPYCBJXKTF-UHFFFAOYSA-N 203.994 -0.700 50 20 BBGD CC(C)(C)C(=O)NNC(=O)CCCC(N)=O 787001462 PVRHEYWAFRTLOB-UHFFFAOYSA-N 229.280 -0.165 50 20 BBGD C#CCOCCC(=O)NN(C)[C@H](C)CO 823939448 LCLKUFYWLREXGH-SECBINFHSA-N 214.265 -0.630 50 20 BBGD CCNC(=O)N(C)NC(=O)[C@@H](C)CNC 831944861 JZSOEDHECALWHN-ZETCQYMHSA-N 216.285 -0.466 50 20 BBGD CCOCCC(=O)NNC(=O)[C@H]1CCO[C@@H]1C 843652360 SFCPBOVHINNPBR-BDAKNGLRSA-N 244.291 -0.015 50 20 BBGD CC[C@@H](C#N)C(=O)NNC(=O)C(=O)NC(C)C 845103960 XAEOYIVDUYLJHJ-ZETCQYMHSA-N 240.263 -0.792 50 20 BBGD C[C@H](NNC(=O)c1cnn[nH]1)C(F)(F)F 862310364 VZTDWOBOHXOGTH-VKHMYHEASA-N 223.158 -0.010 50 20 BBGD CO[C@H](C(=O)NNC(=O)c1cn[nH]c1)C1CC1 862469679 AIHLILJZQOEZHY-QMMMGPOBSA-N 238.247 -0.404 50 20 BBGD COC(=O)N(C)NC(=O)NC[C@H](C)OC 875732606 FGIMYTRNLXSLRX-LURJTMIESA-N 219.241 -0.066 50 20 BBGD CC(C)NC(=O)NNC(=O)[C@@H]1[C@@H]2CCC(=O)[C@H]21 906442536 INNQNNVZKJNJDU-BWVDBABLSA-N 239.275 -0.050 50 20 BBGD CO[C@@]1(C(=O)NN(C)[C@@H](C)CO)CCSC1 911445463 VVJYXWWWIBZPGH-WPRPVWTQSA-N 248.348 -0.148 50 20 BBGD O=C(c1cccc(B(O)O)c1)N1C[C@H]2C=C[C@H]1C2 922045660 HODWOKGVBQVMFV-CABZTGNLSA-N 243.071 -0.233 50 20 BBGD COc1c(C(=O)NN(C)C(N)=O)c(C)nn1C 1116502947 IUEPNGMDXLCBAU-UHFFFAOYSA-N 241.251 -0.608 50 20 BBGD CCn1nncc1C(=O)NNC(=O)N(C)C 1117707238 YMUHVQZQUCDKSX-UHFFFAOYSA-N 226.240 -0.786 50 20 BBGD CCC(=NNC(=O)C(=O)OC)c1cnn(C)c1 1252511482 NFUZYPBBCNPMOB-UHFFFAOYSA-N 238.247 -0.177 50 20 BBGD C=C/C=C/CCNC(=O)NNC(=O)C(=O)OC 1262032964 KQAWDDWNNDARTI-SNAWJCMRSA-N 241.247 -0.378 50 20 BBGD CC(C)(O)c1ccc(C=NNC(=O)C(N)=O)cc1 1327083122 UPMCJYYNHAFLFO-UHFFFAOYSA-N 249.270 -0.151 50 20 BBGD O=C(NN=Cc1cnon1)C1CCOCC1 1349838629 IYFXRKRFOSGSSQ-UHFFFAOYSA-N 224.220 -0.054 50 20 BBGD Cc1nc(O)nc(S)c1C(=O)N(C)N 1574112056 HCVUWHUVLFUPDZ-UHFFFAOYSA-N 214.250 -0.275 50 20 BBGD O=C(O)CCC(=O)NNC(=O)NC1CC1 1606101629 FABYCDYFMUUSLH-UHFFFAOYSA-N 215.209 -0.656 50 20 BBGD NNC(=O)CN1C(=O)CCOc2ccccc21 70160044 OFYFRZRFOPPNME-UHFFFAOYSA-N 235.243 -0.208 50 20 BBGD CC(=O)NNC(=O)[C@H](C(C)C)N1CCCC1=O 299542731 PGNYHCGGOVUWCJ-JTQLQIEISA-N 241.291 -0.199 50 20 BBGD OB(O)c1ccccc1CNC[C@H]1CCCO1 585014671 YSSXSYCWYZVPCM-LLVKDONJSA-N 235.092 -0.365 50 20 BBGD CC1(CNCc2ccc(B(O)O)cc2)COC1 585023470 IMSLOLQLQGWHDN-UHFFFAOYSA-N 235.092 -0.508 50 20 BBGD CC(C)[C@@H](CO)NCc1cccc(B(O)O)c1 585026752 RNWWQIIGCBXSLI-GFCCVEGCSA-N 237.108 -0.527 50 20 BBGD CS[C@H](C)C(=O)N1CC[C@@H](B(O)O)C1 585074929 DNUSCVAYWISLAI-RNFRBKRXSA-N 217.099 -0.187 50 20 BBGD CCCC=NNC(=O)[C@H](C)NS(C)(=O)=O 755696873 AQZZZXNYCKQOQM-ZETCQYMHSA-N 235.309 -0.174 50 20 BBGD CC(C)(O)C(=O)NNC(=O)Cc1cncs1 768245866 ZJSVYZLDHZXJCH-UHFFFAOYSA-N 243.288 -0.396 50 20 BBGD O=C(CN1CC=CCC1)NNC(=O)C1CC1 778968106 XMNMHYSVTWXFJN-UHFFFAOYSA-N 223.276 -0.194 50 20 BBGD NC(=O)NN=Cc1ccccc1-c1nn[nH]n1 826392951 VDQDWQRCENWLRM-UHFFFAOYSA-N 231.219 -0.131 50 20 BBGD CC[C@@](C)(O)C(=O)NNC(=O)C1CCOCC1 829557412 GBEQBVTWQWLILR-LLVKDONJSA-N 244.291 -0.279 50 20 BBGD C[C@H](C(=O)O)n1cccc1C=NNC(=O)CO 833406941 KTXAZZFSTHIOHD-SSDOTTSWSA-N 239.231 -0.424 50 20 BBGD CC1(C=NNC(=O)[C@@H]2CCC(=O)N2)COC1 863149780 FOEBHQYMUQDKCO-ZETCQYMHSA-N 225.248 -0.597 50 20 BBGD Cc1cc(=NNC(=O)[C@H]2CCCNC2=O)cc[nH]1 869388820 SCXNBGVGPWFTDF-JTQLQIEISA-N 248.286 -0.219 50 20 BBGD CCC(=O)NNC(=O)[C@@H](C)N[C@H](C)CC#N 878818048 KKTJAPPWZSPTGW-HTQZYQBOSA-N 226.280 -0.176 50 20 BBGD O=C(NNC(=O)[C@H]1[C@H]2C(=O)CC[C@H]21)C1CC1 905089235 DCMOWHRUDJDEHQ-FTLITQJKSA-N 222.244 -0.231 50 20 BBGD CC(C)C(=O)NNC(=O)[C@H]1CCCC(=O)N1C 905125961 MTUMXROXLBGUFD-MRVPVSSYSA-N 241.291 -0.199 50 20 BBGD C[C@@H](O)CN(C)NC(=O)c1cncn1C 910151403 BMPDZACQUQPBQM-SSDOTTSWSA-N 212.253 -0.623 50 20 BBGD COC(=O)N(C)NC(=O)NC[C@@H]1CCN1C 925432182 UOANKUFZLFLKFD-ZETCQYMHSA-N 230.268 -0.397 50 20 BBGD CC(CCO)=NNC(=O)[C@H]1CCS(=O)(=O)C1 1116206365 CBMLRUNMVQZJRM-QMMMGPOBSA-N 248.304 -0.704 50 20 BBGD CCCNC(=O)NNC(=O)c1cnn(C)c1N 1320151758 BPDUFEDWRVNHCA-UHFFFAOYSA-N 240.267 -0.644 50 20 BBGD O=C(NN=Cc1cccnc1)C(=O)NC1CC1 1321398943 QCQXOLGAXBIVOJ-UHFFFAOYSA-N 232.243 -0.190 50 20 BBGD C[C@H](CN1CCN(C)CC1)NC(=O)CCl 1324706800 QJDUGSYCLCAWOA-SECBINFHSA-N 233.743 -0.023 50 20 BBGD C[C@@H](CO)N(C)NC(=O)c1cnn2ccncc12 1330261624 NOIRJYHQULCFOQ-QMMMGPOBSA-N 249.274 -0.313 50 20 BBGD CCN(CCO)NC(=O)C[C@H]1CCC(=O)N1 1330262349 UYOCPHGWWZGPRT-MRVPVSSYSA-N 229.280 -1.000 50 20 BBGD CCNC(=O)N(C)NC(=O)c1cnn[nH]1 1342029090 LYMNWZFPYFOBPV-UHFFFAOYSA-N 212.213 -0.889 50 20 BBGD O=C1CC[C@@H](C(=O)NN=C[C@@H]2CCOC2)N1 1348412314 VPUAYFRLIZCDQG-YUMQZZPRSA-N 225.248 -0.597 50 20 BBGD CC[C@@H]1CC(=NNC(=O)NCC(=O)O)CO1 1595407749 JOUXOTUNQHXYIW-SSDOTTSWSA-N 229.236 -0.075 50 20 BBGD CCCOCC(=O)NNC(=O)NC1CC1 49179201 BLIONTBLRCYZDP-UHFFFAOYSA-N 215.253 -0.094 50 20 BBGD O=C(CO)NNC(=O)CSc1ccccc1 180952316 OEDQPRTXGFYPCP-UHFFFAOYSA-N 240.284 -0.082 50 20 BBGD COc1ccnc(NNC(=O)[C@H](O)C(C)C)n1 285201418 PBQAEINVLZKHNB-MRVPVSSYSA-N 240.263 -0.055 50 20 BBGD CC[C@@H](C(=O)NNc1nnc[nH]1)C(=O)OC 293998937 SPWQUJNPJCVTCM-YFKPBYRVSA-N 227.224 -0.553 50 20 BBGD CCC(=O)NNS(=O)(=O)N(C)CC 379399564 HFZZAHWJQVOHEV-UHFFFAOYSA-N 209.271 -0.786 50 20 BBGD CC[C@H](CCO)NCc1ccccc1B(O)O 585025060 KUGXQYHEJKAMOQ-LLVKDONJSA-N 237.108 -0.383 50 20 BBGD CC[C@H](CC#N)NCc1ccc(B(O)O)o1 585034013 DYUGSBADLMYIHJ-MRVPVSSYSA-N 222.053 -0.259 50 20 BBGD C[C@H](NCc1ccc(B(O)O)cc1)C1(CO)CC1 585047876 WWCJQMJPXXKTTE-JTQLQIEISA-N 249.119 -0.383 50 20 BBGD CO[C@@H](C(=O)NCB(O)O)c1ccccc1 585056075 OKORNQWINPCCKP-SECBINFHSA-N 223.037 -0.498 50 20 BBGD C[C@H]1CCCc2ncc(C(=O)NCB(O)O)n21 585063063 RWNCQXMSJVDZJW-ZETCQYMHSA-N 237.068 -0.478 50 20 BBGD OCc1cc(N2CC[C@@H](B(O)O)C2)ccn1 585079106 RYVQAISDXMPMOW-MRVPVSSYSA-N 222.053 -0.373 50 20 BBGD CCCNC(=O)NNC(=O)[C@H]1CN(C)CCO1 746171837 ZVCOZCQWOGXBNK-MRVPVSSYSA-N 244.295 -0.943 50 20 BBGD CNC(=O)NN=Cc1cnc2cnccn12 746368490 FGORAMAJCKVWAO-UHFFFAOYSA-N 218.220 -0.008 50 20 BBGD O=C(CO)NN=Cc1ccc([N+](=O)[O-])c(O)c1 776782227 OWTLKBKEEFKUHE-UHFFFAOYSA-N 239.187 -0.257 50 20 BBGD CC(=NNC(=O)C(N)=O)[C@H]1CCCOC1 779757332 CPCFTGLXFOSRBT-ZETCQYMHSA-N 213.237 -0.610 50 20 BBGD O=C(CO)NNC(=O)[C@@H]1CCCC(F)(F)C1 800695628 VBCPKECMURQWLR-ZCFIWIBFSA-N 236.218 -0.048 50 20 BBGD CO[C@](C)(C(=O)NNC(=O)C(C)(C)O)C1CC1 813529611 DOZUFDDHFGUSHG-NSHDSACASA-N 244.291 -0.280 50 20 BBGD CN(NC(=O)c1cc(F)c[nH]1)C(N)=O 815900385 AHRVAXPSJGHOSJ-UHFFFAOYSA-N 200.173 -0.191 50 20 BBGD O=C1C[C@@H](C(=O)NNC(=O)C2CCCC2)N1 821751001 ZBRVLCQCMQRGRX-ZETCQYMHSA-N 225.248 -0.788 50 20 BBGD CO[C@H](C)CC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 843646675 JZGDMNQEXRDCPS-IWSPIJDZSA-N 244.291 -0.016 50 20 BBGD COC(=O)NNC(=O)C12CC(C(=O)OC)(C1)C2 844129111 MBUUHLYLXDKCQJ-UHFFFAOYSA-N 242.231 -0.283 50 20 BBGD CNC[C@H](C)NC(=O)NNC(=O)C1CCC1 851680669 KEACUYWNCKBDQA-ZETCQYMHSA-N 228.296 -0.275 50 20 BBGD CNC(=S)N(C)NC(=O)[C@@H]1CCC(=O)N1C 854922879 UHRUCNMYWAZJRJ-LURJTMIESA-N 244.320 -0.926 50 20 BBGD C=C(C)CNC(=O)NNC(=O)[C@@H]1CCC(=O)N1 858373507 IAPXKXSTTLOTLS-ZETCQYMHSA-N 240.263 -0.829 50 20 BBGD O=C(NN=C[C@H]1CCOC1)c1ncon1 901286524 SJZBULMDNMFTCB-ZCFIWIBFSA-N 210.193 -0.178 50 20 BBGD O=C(NC[C@@H]1COCO1)NNc1cccnn1 923852910 FHAKUMDBFYQDGN-SSDOTTSWSA-N 239.235 -0.524 50 20 BBGD CCNC(=O)N(C)NC(=O)[C@@](C)(O)CC 935290493 OXTFSDUHWAIQOE-VIFPVBQESA-N 217.269 -0.160 50 20 BBGD C[C@@H](C(=O)NNc1cnnn1C)n1ccnc1 1261772520 ACZBAMOTTDTLMG-ZETCQYMHSA-N 235.251 -0.284 50 20 BBGD CCNC(=O)NNC(=O)CSCC#N 1317994131 PFPCCDBVVSSURE-UHFFFAOYSA-N 216.266 -0.407 50 20 BBGD O=C(CCc1cnccn1)NNC(=O)C1CC1 1321497385 WRVLOWGNBJNAHR-UHFFFAOYSA-N 234.259 -0.033 50 20 BBGD CC(C)(C)N1C[C@H](CNC(=O)NN)CC1=O 1328350849 OCLDSSBKYMSHFZ-ZETCQYMHSA-N 228.296 -0.194 50 20 BBGD O=C1CC[C@@H](C(=O)NNC(=O)c2cccnc2)N1 1330149566 KBGQSEUTQGKXOZ-QMMMGPOBSA-N 248.242 -0.879 50 20 BBGD O=C(NNC(=O)[C@H]1CCOC1)C1CCOCC1 1331947465 DSENNKNSMNMXKH-VIFPVBQESA-N 242.275 -0.403 50 20 BBGD Cc1nccnc1C(=O)NN(C)C[C@@H](C)O 1332148531 MGXRLRYMKWBPIJ-SSDOTTSWSA-N 224.264 -0.258 50 20 BBGD O=C(NNc1ccncn1)C1=NOC2(CNC2)C1 1580739616 KGLDOOSTKJZWCR-UHFFFAOYSA-N 248.246 -0.962 50 20 BBGD CCO/C=C(/C#N)C(=O)NC[C@](C)(O)C(=O)O 1591765150 NOCPCPOZDWRVGS-BXKUYDPTSA-N 242.231 -0.618 50 20 BBGD O=C(CCl)N=c1[nH]ccn2ncnc12 1887497559 VQCCSUOVLNPSLM-UHFFFAOYSA-N 211.612 -0.277 50 20 BBGD CSC[C@H](C)C(=O)NNC(=O)CO 180965721 WNILRYVLOQXSMV-YFKPBYRVSA-N 206.267 -0.875 50 20 BBGD CO/N=C/C(=O)NNC(=O)CC(C)C 289412698 TXTYWNDMMICZOU-WEVVVXLNSA-N 201.226 -0.188 50 20 BBGD CCNC(=O)NNC(=O)CCN1CCOC1=O 490851909 MWMJRANXPLSMOQ-UHFFFAOYSA-N 244.251 -0.821 50 20 BBGD C[C@@H](NCc1ccc(B(O)O)o1)c1ccon1 585034909 NNIJTJLQZSGWAR-SSDOTTSWSA-N 236.036 -0.202 50 20 BBGD CN(C)Cc1nc(-c2cccc(B(O)O)c2)no1 585054441 VKIQPDZCESFOQE-UHFFFAOYSA-N 247.063 -0.522 50 20 BBGD C=CCCS(=O)(=O)N1CC[C@@H](B(O)O)C1 585058713 NOOUPBXFKPYRSA-MRVPVSSYSA-N 233.098 -0.559 50 20 BBGD O=C(NCB(O)O)[C@@H]1C[C@H]2C[C@H]1[C@@H]1C[C@H]21 585067653 UCTWKHBJTMOAFG-SYHAXYEDSA-N 209.054 -0.593 50 20 BBGD C[C@@H]1C[C@@H](C(=O)NNC(=O)NC2CC2)CO1 784149754 RZACXFBMHRLGNB-RNFRBKRXSA-N 227.264 -0.096 50 20 BBGD O=C(NNc1cnccn1)c1cc([N+](=O)[O-])n[nH]1 803119036 NAQKBXHXFNPZIJ-UHFFFAOYSA-N 249.190 -0.135 50 20 BBGD O=C(NN=C1CCN(CCO)CC1)C1CC1 819801781 RHQALZUHLIYEHK-UHFFFAOYSA-N 225.292 -0.043 50 20 BBGD CCNC(=O)NNC(=O)C1(N(C)C)CC1 823804708 STRXFRMVKFKXFI-UHFFFAOYSA-N 214.269 -0.569 50 20 BBGD Cc1n[nH]c(C)c1CC(=O)NN(C)[C@@H](C)CO 823983686 ZHQAYLJXOPMPLD-ZETCQYMHSA-N 240.307 -0.087 50 20 BBGD NNC(=O)C1(n2cnnn2)CCCCC1 846674403 PGJMDRLGVBPOTK-UHFFFAOYSA-N 210.241 -0.678 50 20 BBGD CNC(=S)N(C)NC(=O)Cc1cc(C)no1 854920878 JZGADEQYMBHEIU-UHFFFAOYSA-N 242.304 -0.007 50 20 BBGD CO[C@@H](C(=O)NNC(=O)c1cc[nH]n1)C1CC1 855357078 ZQEDRMQTUBJYQG-MRVPVSSYSA-N 238.247 -0.404 50 20 BBGD CC(C)=C(C)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862456628 PZZWLQSLSDPKAR-QMMMGPOBSA-N 239.275 -0.231 50 20 BBGD O=C(c1ccc(B(O)O)cc1)N1CCCCO1 863880239 SCFTZGYUEXHXHH-UHFFFAOYSA-N 235.048 -0.466 50 20 BBGD CC[C@H](C(=O)NN(C)C[C@@H](C)O)N(C)C 910168084 ZURCAARQWXCBOY-RKDXNWHRSA-N 217.313 -0.330 50 20 BBGD CC(C)C#CC(=O)NNC(=O)c1cccnn1 921315525 HLISXUKNIMPCTN-UHFFFAOYSA-N 232.243 -0.103 50 20 BBGD CC(C)N1CCC[C@@H]1C(=O)NN(C)C(N)=O 935178659 YPQDRIMWMDYVLY-MRVPVSSYSA-N 228.296 -0.099 50 20 BBGD O=C(NNS(=O)(=O)C1CC1)c1cc[nH]n1 1118437442 HQVYXPUMBIIXHX-UHFFFAOYSA-N 230.249 -0.864 50 20 BBGD Cn1nncc1NNC(=O)CO[C@@H]1CCOC1 1118770963 WHMXOOYIESSCHR-SSDOTTSWSA-N 241.251 -0.936 50 20 BBGD CC(C)NC(=O)C(=O)NNC(=O)C(C)(C)F 1253997001 JXZMEXORPDSIFY-UHFFFAOYSA-N 233.243 -0.594 50 20 BBGD O=C(CO)NNC(=O)C1CC(F)(F)C1 1320967382 FXEGCRMPINYPFW-UHFFFAOYSA-N 208.164 -0.829 50 20 BBGD CNC(=O)NNC(=O)c1ccn(CC(F)F)n1 1344083678 IWUHBTFFVLWBKP-UHFFFAOYSA-N 247.205 -0.278 50 20 BBGD O=C(O)CCC(=O)NNc1ncc(F)cn1 1611416686 WTTAKACWNRQOGT-UHFFFAOYSA-N 228.183 -0.076 50 20 BBGD CC(C)(O)C(=O)NNC(=O)c1ccncc1 276211343 HFGQTKZGNLGATM-UHFFFAOYSA-N 223.232 -0.387 50 20 BBGD CCCNC(=O)NNC(=O)CCNC(=O)OC 491265681 NYUPDYAEWJEPOT-UHFFFAOYSA-N 246.267 -0.527 50 20 BBGD CCO/C=C/C(=O)NNC(=O)C(=O)NC(C)C 493069264 GQMXCXLTDDHRJX-AATRIKPKSA-N 243.263 -0.791 50 20 BBGD Cc1n[nH]cc1CN1CC[C@H](B(O)O)C1 585076797 OLWJLRUMPHQKQE-VIFPVBQESA-N 209.058 -0.233 50 20 BBGD CC(=O)NNC(=O)c1ccc(C(N)=O)s1 749715704 QWXJMXCNOYRBKK-UHFFFAOYSA-N 227.245 -0.372 50 20 BBGD C[C@H]1C[C@H](C(=O)NNC(=O)CN(C)C)CCO1 776475711 WNWNAERUBXOPCL-DTWKUNHWSA-N 243.307 -0.490 50 20 BBGD C[C@@H](C(=O)NN=c1cc[nH]cc1)n1cncn1 780759948 SVICYYUKSNRHCE-QMMMGPOBSA-N 232.247 -0.201 50 20 BBGD Cn1cnc(C=NNC(=O)C(=O)N2CCCC2)c1 794502165 LMJDENYYMXTGGL-UHFFFAOYSA-N 249.274 -0.507 50 20 BBGD CCO/C=C(/C#N)C(=O)NN(CC)CCO 823869734 OTDFOOTWOYSYKS-HJWRWDBZSA-N 227.264 -0.224 50 20 BBGD C=C[C@@](C)(O)C(=O)NNC(=O)Cc1ccncc1 829565534 MHKKLMRJKJSYFP-GFCCVEGCSA-N 249.270 -0.292 50 20 BBGD CO[C@@](C)(C(=O)O)C(=O)NNc1ncccn1 852949232 WYNTTYFEYDQKRI-SECBINFHSA-N 240.219 -0.591 50 20 BBGD CCC[C@@H](C(=O)NN(C)C1CC1)S(N)(=O)=O 854985400 QTERMMUPKWWNBJ-QMMMGPOBSA-N 249.336 -0.431 50 20 BBGD C[C@H](N)CCNC(=O)NNc1cccnn1 857112585 FSZAAICYGSNCHP-ZETCQYMHSA-N 224.268 -0.160 50 20 BBGD CC(C)(C#N)C(=O)NNC(=O)c1cn[nH]c1 862473921 CMQBEMNHKDJPIE-UHFFFAOYSA-N 221.220 -0.280 50 20 BBGD CC(=O)NNC(=O)c1ccnn1CCN(C)C 899927682 QJZZYCMRZHCOGL-UHFFFAOYSA-N 239.279 -0.774 50 20 BBGD C/C=C(/C)C(=O)NNC(=O)CN1CCCC1=O 913731517 LNPSCEAJKLZALP-BAQGIRSFSA-N 239.275 -0.278 50 20 BBGD CC(C)NC(=S)NNC(=O)c1ncn(C)n1 1261216074 DBWCWOGHTFJMJB-UHFFFAOYSA-N 242.308 -0.668 50 20 BBGD CCn1cc(C(=O)NNC(=O)N(C)C)cn1 1318827477 QLLXZWHVXMTFBR-UHFFFAOYSA-N 225.252 -0.181 50 20 BBGD C[S@@](=O)CCNC(=O)NNc1ncccn1 1318963729 LMYIUIDREBCQSU-MRXNPFEDSA-N 243.292 -0.519 50 20 BBGD CN(NC(=O)[C@@H]1CC12CCOCC2)C(N)=O 1319841348 BTONYGMKRAWJBH-ZETCQYMHSA-N 227.264 -0.155 50 20 BBGD COC(=O)N(C)NC(=O)[C@@H]1CCC(=O)NC1 1322251824 SIUZDEXZQSMARI-ZCFIWIBFSA-N 229.236 -0.758 50 20 BBGD Cc1cnn([C@H]2CCCNC2)c1C(=O)NN 1330615736 QQHXNFZYRFNIIL-QMMMGPOBSA-N 223.280 -0.280 50 20 BBGD O=C(NNC(=S)NC1CC1)c1ccnnc1 1348609699 WNKGWBZGJFSNDE-UHFFFAOYSA-N 237.288 -0.252 50 20 BBGD C[C@H](C(=O)NNC(=O)N(C)C)[C@H]1CCC(=O)N1 1351362240 VUJXSJORCKQTFJ-NKWVEPMBSA-N 242.279 -0.797 50 20 BBGD C[C@H](CC=NNC(=O)[C@H]1COCCO1)C(=O)O 1592463542 CZYLKXHVYQRICQ-HTQZYQBOSA-N 244.247 -0.385 50 20 BBGD CN1CCO[C@H](CNC(=O)[C@@H](F)Cl)C1 2088605369 WEBYAFJPEYUGMT-RNFRBKRXSA-N 224.663 -0.032 50 20 BBGD Cc1cccnc1NC(=O)NNC(=O)CO 188365608 XSIUOEXCCLYNGC-UHFFFAOYSA-N 224.220 -0.465 50 20 BBGD CC(=O)OC(C)(C)C(=O)NN(C)C(N)=O 275611030 KVRONAPZEFVUQB-UHFFFAOYSA-N 217.225 -0.630 50 20 BBGD CC(C)[C@@H](O)C(=O)NNc1ncccn1 285542985 RWGJEFKGXNKUSG-SSDOTTSWSA-N 210.237 -0.063 50 20 BBGD COC[C@@H](C)CNCc1ccccc1B(O)O 585019305 ISGFLPJJNRTNQG-JTQLQIEISA-N 237.108 -0.262 50 20 BBGD OB(O)c1ccc(CN[C@@H]2CCCOCC2)o1 585033092 XIDIJAMSVUVTRS-SECBINFHSA-N 239.080 -0.382 50 20 BBGD Cc1cnc2cc(C(=O)NCB(O)O)ccn12 585062308 GAHOBYNQPHDCDT-UHFFFAOYSA-N 233.036 -0.615 50 20 BBGD C[C@@]1(CO)C[C@@H](O)CN1S(=O)(=O)CCl 698129889 LFFNZRDJPGWABF-RQJHMYQMSA-N 243.712 -0.670 50 20 BBGD CC(=O)NCC(=O)NNC(=O)NC1CCCC1 755248034 RGPIBZWHOGLKFH-UHFFFAOYSA-N 242.279 -0.605 50 20 BBGD CC(C)C(=O)NNC(=O)c1cnc2[nH]nnc2c1 771503195 VJRWDGONHLZPCQ-UHFFFAOYSA-N 248.246 -0.230 50 20 BBGD COCCOCC(=O)NNC(=O)C(C)(F)F 869904237 TXWGNDZZXCLFRX-UHFFFAOYSA-N 240.206 -0.548 50 20 BBGD CN(CC(=O)NNC(=O)C1CC1)C(=O)C1CC1 915684772 CCUGMYTZYSEXSE-UHFFFAOYSA-N 239.275 -0.588 50 20 BBGD CN(NC(=O)c1nccn2ccnc12)C(N)=O 1116448718 JREGGQNFXOUEMG-UHFFFAOYSA-N 234.219 -0.615 50 20 BBGD Cc1cc(C)nc(NNC(=O)c2ncn(C)n2)n1 1261216398 UYXKMXUASVXMLD-UHFFFAOYSA-N 247.262 -0.021 50 20 BBGD Cc1nc(C=NNC(=O)C(N)=O)c2ccccn12 1317800719 QEVXPKHATWQCGG-UHFFFAOYSA-N 245.242 -0.422 50 20 BBGD CNC(=O)NNC(=O)c1cnc2n1CCC2 1328184643 MDMXXRMNGZDRRW-UHFFFAOYSA-N 223.236 -0.597 50 20 BBGD COC(=O)NNC(=O)c1ccc(C#N)cn1 1342636132 GFSXYDHYHBAJBY-UHFFFAOYSA-N 220.188 -0.046 50 20 BBGD CN(CC(=O)O)S(=O)(=O)CCCCl 1598412584 VHQMHSHGSMHWOM-UHFFFAOYSA-N 229.685 -0.039 50 20 BBGD Cc1cc(C=NNC(=O)NCC(=O)O)ncn1 1607633256 IOAABVXYBISVQQ-UHFFFAOYSA-N 237.219 -0.497 50 20 BBGD O=C(NCCc1ccoc1)NNC(=O)C(=O)O 1608454335 FSHZQRRGWVVLTF-UHFFFAOYSA-N 241.203 -0.763 50 20 BBGD CCCNC(=O)NNC(=S)NCCN(C)C 146010577 PTZSPUWMUAKUOQ-UHFFFAOYSA-N 247.368 -0.364 50 20 BBGD NC(=O)C(=O)NN=C[C@@H]1C[C@H]2C=C[C@H]1C2 254733873 KMJNVKICEWNDHD-FXQIFTODSA-N 207.233 -0.214 50 20 BBGD CC(C)C(=O)NNC(=O)CSCC(=O)O 308833710 HGPBKGBHMXSVMH-UHFFFAOYSA-N 234.277 -0.392 50 20 BBGD CCO/C=C(\C#N)C(=O)NC[C@]1(O)CCOC1 490784444 ZIVJWFAKSRGWED-OALRPVAKSA-N 240.259 -0.302 50 20 BBGD OB(O)c1ccc(CNC[C@@H]2CCCS2)o1 585031152 SHNKBXFHBPENKT-VIFPVBQESA-N 241.121 -0.055 50 20 BBGD COC[C@@H](C)[C@H](C)NCc1ccc(B(O)O)o1 585043548 QVGGPXKZXBWZEB-BDAKNGLRSA-N 241.096 -0.280 50 20 BBGD O=C(NCB(O)O)[C@H](O)C1CCCCC1 585062066 CGJGUNBJPVHWKJ-MRVPVSSYSA-N 215.058 -0.944 50 20 BBGD CNC(=O)NNC(=O)[C@@H]1CCCCN1C 737805468 FSAAUTROKWHYOE-ZETCQYMHSA-N 214.269 -0.569 50 20 BBGD O=C(CO)NNC(=O)[C@H]1CC12CCCC2 753445366 HCPPSPFIYXDFGP-SSDOTTSWSA-N 212.249 -0.294 50 20 BBGD O=C(CO)NNC(=O)c1cccc2cccnc12 753451290 CSDQVCRLFFTVKT-UHFFFAOYSA-N 245.238 -0.012 50 20 BBGD O=C(CO)NN=C1C(=O)Nc2cc(F)ccc21 776780119 FVZKDVWUTWXFGU-UHFFFAOYSA-N 237.190 -0.410 50 20 BBGD CN1C[C@@H](C(=O)NN(C)C2CC2)CC1=O 819645998 XWKVPJJYVFDDPW-ZETCQYMHSA-N 211.265 -0.410 50 20 BBGD C[C@H](CO)N(C)NC(=O)c1cnns1 823971382 SRNNNUHFEGUDIN-RXMQYKEDSA-N 216.266 -0.505 50 20 BBGD C[C@H](CC(=O)O)C(=O)NNC(=O)NC1CC1 827304625 YPMKBZUJOSGQFR-RXMQYKEDSA-N 229.236 -0.410 50 20 BBGD C=C[C@](C)(O)C(=O)NNC(=O)C(C)C 854213497 HFKGYXXAVHIIJY-VIFPVBQESA-N 200.238 -0.273 50 20 BBGD CN1CCC[C@H]1C(=O)NNC(=O)c1cc[nH]n1 855358634 QIXRWXVDJGKEFS-QMMMGPOBSA-N 237.263 -0.735 50 20 BBGD C#CCCCC(=O)NNC(=S)NCC#C 899620997 YYARBXLXZQIFGL-UHFFFAOYSA-N 223.301 -0.082 50 20 BBGD CNC(=S)N(C)NC(=O)[C@@H]1[C@H]2CCC(=O)[C@H]21 909994055 UAYWISIYSRACQO-APQOSEDMSA-N 241.316 -0.321 50 20 BBGD C[C@@H](O)CN(C)NC(=O)c1cnns1 910171174 UWARDYAXYYKJBC-RXMQYKEDSA-N 216.266 -0.505 50 20 BBGD CCOC(=O)[C@@H]1C[C@H]1C(=O)NN(C)C(=O)OC 935909474 ZJUMOEXTHAHLOQ-RNFRBKRXSA-N 244.247 -0.085 50 20 BBGD C#CCCCNC(=O)NNC(=O)c1cnn(C)c1 1320664595 NUMGVFKFUXTDJT-UHFFFAOYSA-N 249.274 -0.223 50 20 BBGD CCn1cc(C(C)=NNC(=O)C(=O)OC)cn1 1330772652 CRYYYFLLRDEEQR-UHFFFAOYSA-N 238.247 -0.084 50 20 BBGD O=C1CC[C@H](C(=O)NN=Cc2cccnc2)N1 1331723261 QVAWVMZZSUNNCP-SECBINFHSA-N 232.243 -0.190 50 20 BBGD CCC[C@H](CNC(=O)NNC(=O)C(=O)O)OC 1595593181 VRVGTFZLQQHKOD-ZCFIWIBFSA-N 247.251 -0.784 50 20 BBGD O=C(NNC(=O)C(=O)O)N[C@@H]1CC[C@@H]2C[C@H]2C1 1601553035 RNXRAMRPPHHQGJ-DSYKOEDSSA-N 241.247 -0.410 50 20 BBGD O=C(O)COCC(=O)NNc1ncncc1F 1606273006 NNHQJYGJYNKQPE-UHFFFAOYSA-N 244.182 -0.840 50 20 BBGD O=C(CCl)N1CC(n2cncn2)C1 306737362 YYEJOQGYSOPQNI-UHFFFAOYSA-N 200.629 -0.100 50 20 BBGD OB(O)c1ccc(CNCC[C@H]2CCCO2)o1 585017542 CQHGTNHEPQLMNI-SECBINFHSA-N 239.080 -0.382 50 20 BBGD Cc1cc(CNCc2ccccc2B(O)O)no1 585019112 BUDRJUYXKOKUHN-UHFFFAOYSA-N 246.075 -0.047 50 20 BBGD CC[C@@H](CCO)NCc1ccc(B(O)O)cc1 585025498 VVVMREPJCLNDMA-LBPRGKRZSA-N 237.108 -0.383 50 20 BBGD OB(O)c1ccc(CNCC2=CCCOC2)o1 585041225 WHYIVHGFKYLAGQ-UHFFFAOYSA-N 237.064 -0.604 50 20 BBGD Cc1cc2c(cc1C)[C@@H](C(=O)NCB(O)O)CO2 585062549 JOKSUFSSJFUFKN-JTQLQIEISA-N 249.075 -0.092 50 20 BBGD CC(C)CC(=O)NNC(=O)CSCC(=O)O 738802239 MLHHRBWTLRAJIE-UHFFFAOYSA-N 248.304 -0.002 50 20 BBGD CCNC(=O)NNC(=O)[C@H]1CN(CC)CCO1 746167045 MGTVRTUCIGSVRM-MRVPVSSYSA-N 244.295 -0.943 50 20 BBGD CC(C)NC(=O)C(=O)NN=C1CN(C)C[C@@H]1C 752162880 IIJHZAIQMYPYKM-QMMMGPOBSA-N 240.307 -0.435 50 20 BBGD O=C(CO)NNC(=O)C1CCSCC1 753438412 DNBOWYHITWQXIU-UHFFFAOYSA-N 218.278 -0.731 50 20 BBGD CC(CN1C(=O)CCC1=O)=NNC(=O)C(F)F 754974528 WFNUHEOFBWSBCX-UHFFFAOYSA-N 247.201 -0.107 50 20 BBGD O=C(CO)NNC(=O)Cc1ccc2n[nH]cc2c1 795239485 RADMGRYMTUEIGK-UHFFFAOYSA-N 248.242 -0.755 50 20 BBGD O=C(CC1CC1)NNC(=O)C1(O)CCC1 819136448 XIYPMDMMDDNRQM-UHFFFAOYSA-N 212.249 -0.151 50 20 BBGD CN(NC(=O)C[C@H]1SC(=N)NC1=O)C1CC1 819645609 AKUNEQYJFGVKLR-ZCFIWIBFSA-N 242.304 -0.332 50 20 BBGD CON(C)C(=O)CCC(C)=NNC(N)=O 834914106 JTPQAQVWWZMZOB-UHFFFAOYSA-N 216.241 -0.169 50 20 BBGD O=C(CN1C[C@@H]2C[C@H]2C1)NNC(=O)C1CC1 886344994 PKXYWBVAKRAEQT-IUCAKERBSA-N 223.276 -0.505 50 20 BBGD C[C@H](O)CN(C)NC(=O)C1(N(C)C)CCC1 910151073 ZGTIEZUXOGKYHJ-VIFPVBQESA-N 229.324 -0.186 50 20 BBGD CCN(CC(=O)NN(C)C[C@H](C)O)C1CC1 910161194 VIPZCGWUEVIGQL-VIFPVBQESA-N 229.324 -0.186 50 20 BBGD CCC(=O)N[C@@H](C)C(=O)NNC(=O)NC1CC1 920823325 NUGVIQNVJQJSPY-LURJTMIESA-N 242.279 -0.606 50 20 BBGD O=C(Cc1cc[nH]n1)NNC(=O)c1cocn1 1254698221 XVIXJWOYCXTBAY-UHFFFAOYSA-N 235.203 -0.599 50 20 BBGD CC(=O)NNS(=O)(=O)c1cn(C(C)C)cn1 1323972438 YBCSMGMNAUPQJH-UHFFFAOYSA-N 246.292 -0.207 50 20 BBGD CC(=O)NNC(=O)CC(=O)NCC(F)(F)F 1324401788 YMEMHCQOYIOTGC-UHFFFAOYSA-N 241.169 -0.778 50 20 BBGD CNC(=O)NNC(=O)C1CCN(C2CC2)CC1 1324824653 VOLXMGFKHIBLQZ-UHFFFAOYSA-N 240.307 -0.179 50 20 BBGD O=C1CC[C@H](C(=O)NN=C[C@@H]2CCOC2)N1 1348412311 VPUAYFRLIZCDQG-JGVFFNPUSA-N 225.248 -0.597 50 20 BBGD NNC(=O)[C@@H]1CCc2nnc(C3CC3)n2C1 39947099 OTKJRTWIKJFAAS-SSDOTTSWSA-N 221.264 -0.292 50 20 BBGD in-vitro C[C@H](OCC1CC1)C(=O)NNC(=O)CN(C)C 113423441 VYWBXTTXRYBIQV-QMMMGPOBSA-N 243.307 -0.490 50 20 BBGD CC#CCNC(=O)NNC(=O)Cc1cccnc1 135337958 SQHJORCANIUFEO-UHFFFAOYSA-N 246.270 -0.022 50 20 BBGD CNC(=O)NNC(=O)[C@@H]1CCCCO1 153448565 QIXBWFQOGMKORC-LURJTMIESA-N 201.226 -0.484 50 20 BBGD CCNc1ncc(C(=O)NNC(=O)CO)s1 182749242 IRRDBGWCTBGJBB-UHFFFAOYSA-N 244.276 -0.672 50 20 BBGD CN1C[C@@H](C(=O)NNc2cnccn2)CC1=O 265135516 GWDIKYNHQDMAKE-ZETCQYMHSA-N 235.247 -0.602 50 20 BBGD COC(=O)NNC(=O)[C@H]1C[C@]12CCOC2 375169741 BMNXVEIFZFQCJJ-MUWHJKNJSA-N 214.221 -0.200 50 20 BBGD CC(C)[C@@H](O)CNCc1cccc(B(O)O)c1 585025513 WDJHHQIKNAXNGU-LBPRGKRZSA-N 237.108 -0.527 50 20 BBGD CCO[C@@H](C)CNCc1ccc(B(O)O)o1 585033070 WQBSYLIDCPLAOP-QMMMGPOBSA-N 227.069 -0.526 50 20 BBGD C[C@H](C#N)CNCc1ccc(B(O)O)cc1F 585034087 GJLRBKLVTOWAEH-MRVPVSSYSA-N 236.055 -0.245 50 20 BBGD CC[C@@H](NCc1cccc(B(O)O)c1)[C@H](C)O 585044830 VRXYOPIHUMAHIK-JOYOIKCWSA-N 237.108 -0.385 50 20 BBGD Cc1ccc(C)c(S(=O)(=O)NCB(O)O)c1 585054693 QIPHAAIZYVFPQN-UHFFFAOYSA-N 243.093 -0.406 50 20 BBGD CCOCC(=O)NN=Cc1cnnn1C 751132253 ACZLCFLQLFYHCI-UHFFFAOYSA-N 211.225 -0.698 50 20 BBGD CC(C)(C(N)=O)C(=O)NNc1ncc(F)cn1 768119288 BAFJQISQYJYRFP-UHFFFAOYSA-N 241.226 -0.430 50 20 BBGD COC1(C=NNC(=O)C(N)=O)CCCCC1 790142805 IIJQTJFMUFQMEX-UHFFFAOYSA-N 227.264 -0.077 50 20 BBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NCCC#N 827012710 FATQTIXDSIPNSR-JGVFFNPUSA-N 240.263 -0.345 50 20 BBGD CC(C)(C)N1CC[C@@H](NC(=O)NN)C1=O 831230018 AQAPRZROOKESAN-ZCFIWIBFSA-N 214.269 -0.441 50 20 BBGD CC(C)[C@H](NC=O)C(=O)NNc1cccnn1 860752029 KKOAPCPXWZJZMS-VIFPVBQESA-N 237.263 -0.310 50 20 BBGD CN(NC(=O)c1nc(=N)cc[nH]1)C1CC1 866011719 JGSOWSVRYYDEBF-UHFFFAOYSA-N 207.237 -0.372 50 20 BBGD O=C(NNC(=O)[C@H]1C[C@@H](O)C1)NC1CC1 874194245 UPGZUYWPJHFNDQ-IAQIWYKVSA-N 213.237 -0.750 50 20 BBGD CNC(=O)C[C@@H](C)NC(=O)NN(C)C(=O)OC 875646078 BXUGTEKHIBKKFF-ZCFIWIBFSA-N 246.267 -0.577 50 20 BBGD COCCN(C)NC(=O)c1nc(C)nn1C 883128640 PEGCKPULURBXDO-UHFFFAOYSA-N 227.268 -0.653 50 20 BBGD CC(C)(O)C(=O)NNC(=O)[C@@H]1[C@H]2CCC(=O)[C@@H]21 907627534 RLOOKJOANKLUMJ-UIISKDMLSA-N 240.259 -0.870 50 20 BBGD C[C@@H](O)CN(C)NC(=O)/C=C/c1cnn(C)c1 910176696 BYPISGJFXRQRDB-XNPJLODASA-N 238.291 -0.223 50 20 BBGD CCN1CCC(=NNC(=O)C(=O)OC)[C@H](C)C1 1116198729 WSUJAMKYMGWHEG-MRVPVSSYSA-N 241.291 -0.007 50 20 BBGD Cc1cc(NNC(=O)CCc2nc[nH]n2)ncn1 1116242517 RESIODYXKWGRJW-UHFFFAOYSA-N 247.262 -0.021 50 20 BBGD CCc1cc(C(=O)NNC(=O)CO)cc(O)n1 1116554159 IHCHCKHRZPGQNJ-UHFFFAOYSA-N 239.231 -0.897 50 20 BBGD CN(C)C(=O)NNC(=O)Cc1cc[nH]n1 1318982625 IRFRTFFSIGFKQA-UHFFFAOYSA-N 211.225 -0.745 50 20 BBGD CNC(=S)N(C)NC(=O)[C@H]1C[C@H]1F 1347685149 NFFOMKIQAADDSV-CRCLSJGQSA-N 205.258 -0.188 50 20 BBGD C=CCOCCCC(=O)NNC(=O)CCN 1574943741 PBIMBEFLWHAADB-UHFFFAOYSA-N 229.280 -0.535 50 20 BBGD CNC[C@H](C)C(=O)NNC(=O)c1cnsn1 1578623528 VQPRASVTECXCKP-YFKPBYRVSA-N 243.292 -0.845 50 20 BBGD Cn1nncc1NNC(=O)[C@H](C(=O)O)C1CC1 1594598187 LQHQFKIMPMUWMT-SSDOTTSWSA-N 239.235 -0.631 50 20 BBGD CCN(CC(=O)O)S(=O)(=O)CCl 1596227266 RKJPANJSAPNAME-UHFFFAOYSA-N 215.658 -0.081 50 20 BBGD CN(C)CC(=O)NNC(=O)c1ccc(C#N)cn1 113424169 CLALAXZKADYNIJ-UHFFFAOYSA-N 247.258 -0.724 50 20 BBGD CC(=O)NNC(=O)Cn1cc(Cl)cn1 287137198 NLSSNAUGYHIWJK-UHFFFAOYSA-N 216.628 -0.296 50 20 BBGD COC(=O)NNC(=O)[C@H](C)c1cnn(C)c1 495448622 PNROPXQQPUKARM-ZCFIWIBFSA-N 226.236 -0.089 50 20 BBGD Cc1ccc(F)cc1C(=O)NCB(O)O 585053552 ADLJKQRWGGUIQM-UHFFFAOYSA-N 211.001 -0.124 50 20 BBGD CNC(=O)NNC(=O)CN1[C@@H](C)CC[C@H]1C 746159460 LXQAXYRAYQDPMJ-OCAPTIKFSA-N 228.296 -0.181 50 20 BBGD CCNC(=O)N(C)NC(=O)[C@@H]1CCC(=O)N1C 753431403 ABPGVMRWKDQMAS-ZETCQYMHSA-N 242.279 -0.700 50 20 BBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)C(C)(C)O 772069232 LTCVZMFYHCOMNJ-LURJTMIESA-N 246.263 -0.754 50 20 BBGD CCN(CCO)NC(=O)c1cccc(=O)n1C 823869437 JKEIYXDLVMICQW-UHFFFAOYSA-N 239.275 -0.656 50 20 BBGD C=C[C@](C)(O)C(=O)NN(C)[C@@H](C)CO 823917004 CJYCCXBPIHDONQ-CBAPKCEASA-N 202.254 -0.733 50 20 BBGD C=C[C@@](C)(O)CC(=O)NN(C)[C@@H](C)CO 823928082 KGZFAHXEPBOFIQ-WCBMZHEXSA-N 216.281 -0.343 50 20 BBGD CCOCCO[C@@H](C)C(=O)NN(C)[C@@H](C)CO 823965591 PQDDIWHTFCFVEX-UWVGGRQHSA-N 248.323 -0.228 50 20 BBGD COCCC(C)=NNC(=O)[C@H]1CCC(=O)N1 863149765 FJOQBONKIGTXJF-MRVPVSSYSA-N 227.264 -0.206 50 20 BBGD CC[C@]1(C(=O)NNc2cccnn2)CCNC1=O 867355837 IJDMCRMZLXFLOG-NSHDSACASA-N 249.274 -0.164 50 20 BBGD CC[C@@H](NC(C)=O)C(=O)NNC(=O)CC1CC1 868589444 HGKUDDZMMSUYOL-SECBINFHSA-N 241.291 -0.151 50 20 BBGD C[C@H](O)CN(C)NC(=O)c1cc2n(n1)CCO2 910148725 WLIJIPZXEUHPOY-ZETCQYMHSA-N 240.263 -0.767 50 20 BBGD C[C@H](O)CN(C)NC(=O)[C@H](O)C1CCC1 910150915 WQARSMQANDBZNI-IONNQARKSA-N 216.281 -0.509 50 20 BBGD CNC(=O)NNC(=O)c1n[nH]c2c1CCCC2 919879607 LMWHMJPDXDKECQ-UHFFFAOYSA-N 237.263 -0.138 50 20 BBGD CCOC(=O)NNC(=O)[C@@H]1C[C@H]1C(=O)OCC 929189598 ODVSZIGMMNIUNX-RNFRBKRXSA-N 244.247 -0.037 50 20 BBGD CN1C(=O)CC[C@@H]1C(=O)NNC(=O)NC1CC1 930719976 JZPSTJHHEKWWKU-SSDOTTSWSA-N 240.263 -0.900 50 20 BBGD Cn1cnc(C(=O)NN=c2cc[nH]cc2)n1 1117679711 BUWUMGQOCIBKRZ-UHFFFAOYSA-N 218.220 -0.611 50 20 BBGD CNC(=O)NNC(=O)c1csc(NC)n1 1119526382 CVAFDQDZTDPACY-UHFFFAOYSA-N 229.265 -0.241 50 20 BBGD CC(C)NC(=O)NNC(=O)[C@@H]1CCNC(=O)C1 1322557497 QFPMJCXSTAYITF-SSDOTTSWSA-N 242.279 -0.749 50 20 BBGD O=C(CO)NNC(=O)c1conc1C1CC1 1324618431 IGIGZUQIBOUFTE-UHFFFAOYSA-N 225.204 -0.695 50 20 BBGD COCCOCCC(=O)N1CC[C@@H](B(O)O)C1 1329293412 QSEKZLKQRZZIOO-SECBINFHSA-N 245.084 -0.885 50 20 BBGD C[C@H](C(=O)NN(C)[C@H](C)CO)[C@H]1CCC(=O)N1 1332366215 LCUFXBLBDJKKSK-HRDYMLBCSA-N 243.307 -0.755 50 20 BBGD COC(=O)C(=O)NN=C(C)c1cncnc1C 1332928143 DJCGQZIXGLDSHE-UHFFFAOYSA-N 236.231 -0.202 50 20 BBGD O=C(CCc1ccncn1)NNC(=O)NC1CC1 1339025247 WVLKKWHHQVTROT-UHFFFAOYSA-N 249.274 -0.098 50 20 BBGD CO[C@@H]1C[C@H]1C(=O)NNC(=O)C1CCNCC1 1579127411 MUDRQDPJAMXQAG-RKDXNWHRSA-N 241.291 -0.832 50 20 BBGD CN(C)C(=O)NNC(=O)[C@H]1CC[C@H]1C(=O)O 1598139976 KWTRLDCKBUOBMD-NTSWFWBYSA-N 229.236 -0.600 50 20 BBGD NCCNS(=O)(=O)CBr 127373906 CTUNIJBKPQMFBK-UHFFFAOYSA-N 217.088 -0.783 50 20 BBGD CN(C)CC(=O)NNC(=O)NCc1ccco1 263857524 BMNLHBKWXDYIQC-UHFFFAOYSA-N 240.263 -0.328 50 20 BBGD CCOC(=O)CC(=O)NNC(=O)c1ccc[nH]1 269009166 KUVOMCHPUVUMRO-UHFFFAOYSA-N 239.231 -0.271 50 20 BBGD C[C@@H]1CN(C)C[C@H]1NCc1ccc(B(O)O)cc1 585031503 WGUZSURKDIIEAD-ZWNOBZJWSA-N 248.135 -0.594 50 20 BBGD Cc1ccc(S(=O)(=O)NCB(O)O)cc1C 585055087 XQXYRVCCQCGBRX-UHFFFAOYSA-N 243.093 -0.406 50 20 BBGD CC(CS(C)(=O)=O)=NNC(=O)C1CC1 732527294 RMPCOUMIOYTVLG-UHFFFAOYSA-N 218.278 -0.067 50 20 BBGD CN(C)CCNC(=S)NNC(=O)N(C)C 745729959 KVNFEAKXWCNNDG-UHFFFAOYSA-N 233.341 -0.802 50 20 BBGD CC[C@@H](OC)C(=O)NNc1nccn(C)c1=O 747941679 BTLXBLDAANTIDY-SSDOTTSWSA-N 240.263 -0.352 50 20 BBGD CC(C)c1cc(NC(=O)NNC(=O)CO)no1 756790615 PKYSETVVZOMLJC-UHFFFAOYSA-N 242.235 -0.057 50 20 BBGD CO[C@](C)(C=NNC(=O)CO)C1CC1 814896312 SLMJKTYNDQUNCD-SECBINFHSA-N 200.238 -0.104 50 20 BBGD COCCCNC(=O)/C(C#N)=C\c1cnn(C)n1 821031762 NGGBYNIOBZLMSX-TWGQIWQCSA-N 249.274 -0.125 50 20 BBGD CC(C)CC(=O)NNC(=O)N[C@@H]1COC(=O)C1 923726082 RJBWQSNFXFUODX-ZETCQYMHSA-N 243.263 -0.322 50 20 BBGD O=C(NNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1)[C@H]1CCN1 1580736407 SINKZWGDQRJJDQ-BWZBUEFSSA-N 249.274 -0.978 50 20 BBGD Cc1ncc(C=NNC(=O)C(=O)O)s1 1607978647 QEFNVIAHGICFFA-UHFFFAOYSA-N 213.218 -0.014 50 20 BBGD CN(CC(=O)NNC(=O)C1CC1)CC(F)F 112980017 BKXZCSWGXTVNOI-UHFFFAOYSA-N 235.234 -0.259 50 20 BBGD CCO/C=C(\C#N)C(=O)N[C@@H](CO)CCOC 281215676 DWRHECFTSMNUIX-AAXQSMANSA-N 242.275 -0.056 50 20 BBGD CCN(C)S(=O)(=O)NNC(=O)OC 308390074 ZAWYGSLSXOWAOO-UHFFFAOYSA-N 211.243 -0.957 50 20 BBGD O=C(NCB(O)O)c1cncc(C(F)(F)F)c1 585063032 RAYXFKGLINKHCW-UHFFFAOYSA-N 247.969 -0.158 50 20 BBGD CCOCC1(C(=O)N2CC[C@H](B(O)O)C2)CC1 585063851 ISCPIXLYLKNHHR-VIFPVBQESA-N 241.096 -0.122 50 20 BBGD CC1(C)C(=NNC(=O)C(N)=O)[C@H]2CCCO[C@@H]21 743421243 TWTVCOZHRQCDLV-SVRRBLITSA-N 239.275 -0.221 50 20 BBGD C[C@]1(C(=O)NNC(=O)C2CC2)CCOC1 754348521 RQHSEFRPSIBRCA-JTQLQIEISA-N 212.249 -0.030 50 20 BBGD Cc1nc(C(=O)NNC(=O)C(C)C)no1 759209330 LMGYJVRIECSQHJ-UHFFFAOYSA-N 212.209 -0.205 50 20 BBGD C[C@H]1CN(C2CC2)CC1=NNC(=O)CO 776782735 UURUCLJOTZIPDJ-ZETCQYMHSA-N 211.265 -0.435 50 20 BBGD O=C1CC[C@H](C(=O)NNc2ccnc(F)c2)N1 781359502 RNUFLHREAGPVCS-SSDOTTSWSA-N 238.222 -0.058 50 20 BBGD CC(=NNC(=O)CO)c1cn(C)c(C)n1 800814890 CQPKLQBABGORNN-UHFFFAOYSA-N 210.237 -0.439 50 20 BBGD O=C(CNC(=O)c1ccco1)NN=C1COC1 814827055 SGCUJCIBTACYMR-UHFFFAOYSA-N 237.215 -0.488 50 20 BBGD CCOC(=O)C(C)(C)C(=O)NN(C)[C@@H](C)CO 823939579 MDYBTOPRQDCTBP-QMMMGPOBSA-N 246.307 -0.081 50 20 BBGD CCNC(=O)NNC(=O)c1cncnc1C 1115900101 XBGQZDYIUOXIML-UHFFFAOYSA-N 223.236 -0.251 50 20 BBGD CN(NC(=O)C1(NC(N)=O)CC1)C1CC1 1327995696 CBBUNUIRAMHOKZ-UHFFFAOYSA-N 212.253 -0.687 50 20 BBGD CS(=O)(=O)CC(=O)NN=CC[C@H]1CCOC1 1329110671 NIABRUZIWXCJOV-QMMMGPOBSA-N 248.304 -0.440 50 20 BBGD O=C(CC[C@@H]1CCOC1)N1CC[C@@H](B(O)O)C1 1331896747 RQONVKGOOJZLMU-NXEZZACHSA-N 241.096 -0.122 50 20 BBGD NC(=O)[C@@H]1CC[C@@H]1C(=O)NNC(=O)C1CC1 1332860533 BXGMAKUWPOPXDP-RQJHMYQMSA-N 225.248 -0.945 50 20 BBGD CC(C)(C)n1nnc(CNC(=O)NN)n1 1332945013 FETLDPGEKXVNCZ-UHFFFAOYSA-N 213.245 -0.899 50 20 BBGD O=C(NNC(=S)NC1CC1)c1ncon1 1335616117 JIDIRAYBNOGEIF-UHFFFAOYSA-N 227.249 -0.659 50 20 BBGD Cn1ccc(NNC(=O)[C@@H]2CC[C@H]2C(=O)O)n1 1594550861 XHSCIRBMSNHCFQ-RNFRBKRXSA-N 238.247 -0.026 50 20 BBGD N#Cc1ccc(CC(=O)NNC(=O)CO)cc1 182743677 ZMZNIMIUPLBAOJ-UHFFFAOYSA-N 233.227 -0.760 50 20 BBGD N#CC1=CCN(CC(=O)N2CCNC(=O)C2)CC1 272600195 GZZONUAEJGZPEJ-UHFFFAOYSA-N 248.286 -0.900 50 20 BBGD Cc1cc[nH]c1C(=O)NNC(=O)CN(C)C 281682429 ZWAPIVPRIWTVRE-UHFFFAOYSA-N 224.264 -0.354 50 20 BBGD COC(=O)N(C)NC(=O)[C@H]1CCCN1C(C)=O 286240076 GLBKQLBGRCEXQA-MRVPVSSYSA-N 243.263 -0.273 50 20 BBGD CC(=O)OC(C)(C)C(=O)NNC(=O)CN(C)C 287643320 JTYRLEFOZXJIJH-UHFFFAOYSA-N 245.279 -0.963 50 20 BBGD CCOC(=O)NNS(=O)(=O)CCOC 491321229 WDJMESOIXWWMFY-UHFFFAOYSA-N 226.254 -0.787 50 20 BBGD COCCN(C)NC(=O)CCNC(=O)OC 495620309 ZRCWYZDPBGEXAJ-UHFFFAOYSA-N 233.268 -0.658 50 20 BBGD C[C@@](O)(CNCc1ccccc1B(O)O)C1CC1 585023073 CJBGYGSCKBFOHV-CYBMUJFWSA-N 249.119 -0.383 50 20 BBGD O=S(=O)(CC1CCC1)N1CC[C@H](B(O)O)C1 585058613 KRRKRYJDWMPXEL-VIFPVBQESA-N 247.125 -0.335 50 20 BBGD CC(=O)NCC(=O)NNc1nccnc1Cl 734261455 AUVIINMZWRLWRM-UHFFFAOYSA-N 243.654 -0.291 50 20 BBGD COCCS(=O)(=O)NNC(=O)C1CCC1 737756542 GDSHVAHMRXAOMR-UHFFFAOYSA-N 236.293 -0.617 50 20 BBGD Cn1nncc1C=NNC(=O)c1ccccn1 751126625 ALYWNNBRSLWYOI-UHFFFAOYSA-N 230.231 -0.026 50 20 BBGD COC(=O)CNC(=O)NN=Cc1ccccn1 779817413 QMMSOEWSBTYMCH-UHFFFAOYSA-N 236.231 -0.112 50 20 BBGD CN(C)CC1(C(=O)NNC(=O)C(C)(C)O)CC1 822318243 ZZDBLYFFDIPHJF-UHFFFAOYSA-N 243.307 -0.754 50 20 BBGD CC[C@H](C)NC(=O)NNC(=O)[C@@H]1CCC(=O)N1 858100104 JXVIWHMFKIDGFT-BQBZGAKWSA-N 242.279 -0.606 50 20 BBGD OB(O)c1cccc(CNC[C@H]2CCCOC2)c1 876955778 CGTRUIRIMZHGPV-GFCCVEGCSA-N 249.119 -0.117 50 20 BBGD CC[C@H](O)[C@H](C)C(=O)NNC(=O)NC 900353286 PLBNPKNQSDXOHH-WDSKDSINSA-N 203.242 -0.646 50 20 BBGD Cn1nc(C(=O)O)cc1C=NNC(=O)C1CC1 901128719 KVQVDFIATWOYDW-UHFFFAOYSA-N 236.231 -0.022 50 20 BBGD C[C@@H](O)CN(C)NC(=O)c1cn2cccnc2n1 910171187 VAHQTVQBVPYNJT-MRVPVSSYSA-N 249.274 -0.313 50 20 BBGD NC(=O)C(=O)NN=Cc1nc(Cl)cs1 1116388334 HJMFEESLSCDPJM-UHFFFAOYSA-N 232.652 -0.268 50 20 BBGD N#CC1=CCN(Cc2nc(N)nc(N)n2)CC1 1320179874 BAZGYYSKBFBKHO-UHFFFAOYSA-N 231.263 -0.308 50 20 BBGD COC(=O)NNC(=O)c1snnc1C 1320961516 INWCQAOXSSTTEO-UHFFFAOYSA-N 216.222 -0.153 50 20 BBGD CCn1ccnc1C(=O)NNC(=O)NC 1324036030 CSNAYNPRBSWXSW-UHFFFAOYSA-N 211.225 -0.523 50 20 BBGD CCOC1CCC(=NNC(=O)C(N)=O)CC1 1330634695 QDFJGNCCAMQZFH-UHFFFAOYSA-N 227.264 -0.077 50 20 BBGD CON(C(=O)c1cccc(B(O)O)c1)C(C)C 1331797356 SQALBGXZXSYYNO-UHFFFAOYSA-N 237.064 -0.222 50 20 BBGD CCc1nc(C(=O)NN(C)C(N)=O)co1 1342966474 PNFSQOBBRQJOCL-UHFFFAOYSA-N 212.209 -0.108 50 20 BBGD C[C@@H]1OCC(=NNC(=O)NCC(=O)O)[C@@H]1C 1594641033 VFEYADZMBRETKB-RITPCOANSA-N 229.236 -0.219 50 20 BBGD CCc1ccc(C(=O)NNC(=O)CO)c(O)c1 190586921 PYIXZALVQRZNCS-UHFFFAOYSA-N 238.243 -0.292 50 20 BBGD CN1CCC[C@@H]1C(=O)NNC(=O)c1ccc[nH]1 299577468 UTIIWOKOBSXKQD-SECBINFHSA-N 236.275 -0.130 50 20 BBGD CCOC(=O)NNC(=O)CCNC(=O)OC 491273990 QEWGKEPUOPOYOX-UHFFFAOYSA-N 233.224 -0.490 50 20 BBGD C[C@H]1OC(=O)N[C@H]1C(=O)NNC(=O)C1CCC1 495976036 RYZPZFKVXQWOBW-IYSWYEEDSA-N 241.247 -0.569 50 20 BBGD Cc1cnn(C)c1CN1CC[C@H](B(O)O)C1 585077497 VCDWVRHWIXWVRW-VIFPVBQESA-N 223.085 -0.223 50 20 BBGD COC(=O)NNC(=O)Nc1ccn(C)n1 730423816 ZSZCHLFIAOIEEZ-UHFFFAOYSA-N 213.197 -0.187 50 20 BBGD C=CCOCC(=O)NN(C)C(=O)NCC 780711522 JVLCPDRQUUHWSL-UHFFFAOYSA-N 215.253 -0.119 50 20 BBGD O=C(CN1CCCC1=O)NN=C1COC1 814761349 UTKVUSJNJCHASQ-UHFFFAOYSA-N 211.221 -0.889 50 20 BBGD O=C(O)C1CC(=NNC(=O)N2CCOCC2)C1 814821007 IVXZCKGBTKHWQW-UHFFFAOYSA-N 241.247 -0.121 50 20 BBGD Cn1ncc(C=NNC(=O)N2CCOCC2)n1 814821334 QRMLWXWUNPHZLG-UHFFFAOYSA-N 238.251 -0.809 50 20 BBGD C=C[C@H](O)C(=O)NNC(=O)c1ccccn1 816808411 MUURVXWYVIUNQX-QMMMGPOBSA-N 221.216 -0.611 50 20 BBGD O=C(NNC(=O)[C@H]1C[C@@H](O)C1)[C@H]1CCCCO1 823236880 HUYMTYBAARJDQA-HRDYMLBCSA-N 242.275 -0.526 50 20 BBGD CCCCNC(=O)NNC(=O)[C@H](O)C1CC1 823756008 QNLHTLRRMCWSAH-MRVPVSSYSA-N 229.280 -0.112 50 20 BBGD C[C@H](CO)N(C)NC(=O)Cn1cc(Cl)cn1 823924218 YNAULACKQLYHLD-SSDOTTSWSA-N 246.698 -0.120 50 20 BBGD C[C@H](CO)N(C)NC(=O)[C@H]1CCCN1C1CC1 823928304 MNOKUYLTTDOXRT-MWLCHTKSSA-N 241.335 -0.043 50 20 BBGD C[C@@H](CO)N(C)NC(=O)COC[C@H]1CCCO1 823959979 TVZBQEHFBBHAIE-VHSXEESVSA-N 246.307 -0.474 50 20 BBGD CN(NC(=O)[C@@H]1CCCS1(=O)=O)C1CC1 848230101 RUWZRLCFZZIGCD-QMMMGPOBSA-N 232.305 -0.311 50 20 BBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)C(C)(C)CO 848235924 PUOTUBSJCQLHPF-JGVFFNPUSA-N 244.291 -0.423 50 20 BBGD C[C@@H]1C[C@H]1C(=O)NNC(=O)c1cc[nH]n1 855356281 KAPNEOMSOQAMIM-PHDIDXHHSA-N 208.221 -0.173 50 20 BBGD C=CC(=O)N(C)CC(=O)NN=c1cc[nH]c(C)c1 862514979 DGHZODNRTDREPT-UHFFFAOYSA-N 248.286 -0.101 50 20 BBGD O=C(NCCC1CC1)c1ccc(B(O)O)cc1 866132879 ZHLDOKHNLCKOCQ-UHFFFAOYSA-N 233.076 -0.104 50 20 BBGD CO[C@@]1(C(=O)NN(C)C[C@H](C)O)CCSC1 910181524 CCYMHEPJJKCERR-WPRPVWTQSA-N 248.348 -0.148 50 20 BBGD O=C(CC1COC1)NNC(=O)NCC1CC1 1262153884 PKUXZTKSISUXBP-UHFFFAOYSA-N 227.264 -0.237 50 20 BBGD CC[C@@H](C)NC(=S)NNC(=O)C(=O)OC 1319345871 LVYCUYQSGQLFGG-RXMQYKEDSA-N 233.293 -0.547 50 20 BBGD CNC(=O)NNC(=O)c1cc(C#N)c[nH]1 1330900603 ICMDJQPCBAYFFO-UHFFFAOYSA-N 207.193 -0.540 50 20 BBGD CC#CC[C@@H](N)C(=O)NNc1ncccn1 1574973082 SBUPZFKLCLHIMQ-MRVPVSSYSA-N 219.248 -0.340 50 20 BBGD CC1(C)C[C@]1(C)CNC(=O)NNC(=O)C(=O)O 1604519788 BFAFQNPVISMJRY-SNVBAGLBSA-N 243.263 -0.162 50 20 BBGD CNC(=O)CN1CCN(C(=O)CCl)CC1 37496087 QZPASTZPIYSSTQ-UHFFFAOYSA-N 233.699 -0.885 50 20 BBGD CNC(=O)NN=C1CCN(C(N)=O)CC1 147063947 SCUCCKLFFNXPIF-UHFFFAOYSA-N 213.241 -0.554 50 20 BBGD CC(C)(C)CC(=O)NNC(=O)[C@@H]1COCCO1 171482983 BMZVWRFFWUUKDE-QMMMGPOBSA-N 244.291 -0.015 50 20 BBGD COc1cc(C(=O)NNC(=O)CO)ccc1F 182766752 AMAQKFJEUIUAPW-UHFFFAOYSA-N 242.206 -0.412 50 20 BBGD CCO/C=C\C(=O)NNC(=O)N1CCOCC1 493070726 MNTKPAMELXIMQA-UTCJRWHESA-N 243.263 -0.390 50 20 BBGD C[C@H](C(=O)NCB(O)O)c1cccs1 585059954 HFGSVNWVDSOANT-LURJTMIESA-N 213.067 -0.020 50 20 BBGD O=C(NCB(O)O)[C@@H]1C[C@H]2C[C@H]1[C@H]1C[C@H]12 585067655 UCTWKHBJTMOAFG-ZTKNNBQKSA-N 209.054 -0.593 50 20 BBGD CCOCC(=O)NNC(=O)NCCCCOC 731280714 BSTCCXAQQRXOOG-UHFFFAOYSA-N 247.295 -0.220 50 20 BBGD COc1cncc(C(=O)NNC(=O)C(C)C)n1 790119695 UZYYMPBINHTVLY-UHFFFAOYSA-N 238.247 -0.098 50 20 BBGD O=C(CCn1ccccc1=O)NNc1nc[nH]n1 816634646 OWCZDXSANZYQGJ-UHFFFAOYSA-N 248.246 -0.500 50 20 BBGD CN1CCCC[C@@H](C(=O)NN(C)C(N)=O)C1=O 821460257 YHPRFEVDWJJGEK-ZETCQYMHSA-N 242.279 -0.713 50 20 BBGD CC[C@@H](CO)C(=O)NN(C)[C@@H](C)CO 823935062 MTWCDIUMMHKNEK-YUMQZZPRSA-N 204.270 -0.651 50 20 BBGD C[C@H]1OCC[C@H]1C(=O)NN=Cc1cnon1 842550042 UXHKIEKWOBJPEG-HTRCEHHLSA-N 224.220 -0.055 50 20 BBGD COC(=O)NCCC(=O)NNc1ccncn1 857520715 KBWHFVIZWXHWGE-UHFFFAOYSA-N 239.235 -0.334 50 20 BBGD C#CCCCC(=O)NNC(=O)C(C)(C)CO 887146695 HQNRPIZWLGTSDF-UHFFFAOYSA-N 226.276 -0.044 50 20 BBGD CC[C@H](CO)C(=O)NNC(=O)[C@H]1CCCCO1 908517798 QNDZIHSCJRQMFC-RKDXNWHRSA-N 244.291 -0.279 50 20 BBGD CC[C@H](C#N)C(=O)NNc1cnnn1C 1261772801 JXGNFFSFMVXNTA-ZCFIWIBFSA-N 208.225 -0.192 50 20 BBGD COCCONC(=O)NNc1ccc(C)nn1 1320960107 BTZBRARBRSRMAT-UHFFFAOYSA-N 241.251 -0.011 50 20 BBGD CC(C)c1ncc(C(=O)NNC(=O)CO)[nH]1 1320967818 RWQBTSKNCRIROX-UHFFFAOYSA-N 226.236 -0.714 50 20 BBGD NC(=O)CCSCC(=O)NNC(=O)C1CC1 1329206385 JCDZCMHJQSIUNK-UHFFFAOYSA-N 245.304 -0.848 50 20 BBGD CC1=NO[C@@](C)(C(=O)NN(C)C(N)=O)C1 1336417812 AZJZVPWDECNGKU-MRVPVSSYSA-N 214.225 -0.417 50 20 BBGD CC(=O)NNC(=O)[C@H](N)[C@H](C)OC(C)(C)C 1574068033 PQQWWVIOPFKMAT-POYBYMJQSA-N 231.296 -0.315 50 20 BBGD CCCC[C@@H](N)C(=O)NNC(=O)c1cnn[nH]1 1577410402 DHCRBAQRWYAIOU-ZCFIWIBFSA-N 240.267 -0.917 50 20 BBGD CCCNC(=O)NNC(=O)[C@]12CNC[C@@H]1C2 1577545215 OPLLYRFACBKVAM-OIBJUYFYSA-N 226.280 -0.664 50 20 BBGD CNC(=O)NNC(=O)[C@H]1CCCCC[C@H]1N 1578556777 ADVDBMFOTKEDHE-JGVFFNPUSA-N 228.296 -0.146 50 20 BBGD O=C(O)CCC(=O)NNC(=O)c1ccnnc1 1606101649 HZMIXBSPMIVHGO-UHFFFAOYSA-N 238.203 -0.898 50 20 BBGD CN(C)C(=O)N1CCC(C(=O)NN)CC1 6426088 AMRRFYGYMDPEDT-UHFFFAOYSA-N 214.269 -0.630 50 20 BBGD O=S(=O)(CCl)N1CCC(O)CC1 82511983 WSJDXZHRPHOWRI-UHFFFAOYSA-N 213.686 -0.031 50 20 BBGD CCC(=O)NNC(=O)[C@H](C)N1CCC[C@H](O)C1 111192326 KDTVNLHUZOIARB-IUCAKERBSA-N 243.307 -0.611 50 20 BBGD O=C(CCO)NNC(=O)Nc1ccncc1F 127557133 ZMUGFVPAYHAKFT-UHFFFAOYSA-N 242.210 -0.244 50 20 BBGD CCO[C@H](C)C(=O)NNC(=O)N(C)C 299347483 FXKNYGXNUQZJPW-ZCFIWIBFSA-N 203.242 -0.286 50 20 BBGD CCOC1CN(C(=O)c2ccc(B(O)O)cc2)C1 584993957 BGLMJTVLNRCVJQ-UHFFFAOYSA-N 249.075 -0.773 50 20 BBGD CO[C@@H](CNCc1ccc(B(O)O)o1)C(C)C 585027309 QEMDSWGOMZBOOV-JTQLQIEISA-N 241.096 -0.280 50 20 BBGD CC(C)C1(S(=O)(=O)NCB(O)O)CC1 585056747 AKAVXCGSDIVBFI-UHFFFAOYSA-N 221.087 -0.894 50 20 BBGD CC(=O)NNC(=O)Cc1n[nH]c2c1CCCC2 777230134 YGRYDCVPHRWZEZ-UHFFFAOYSA-N 236.275 -0.002 50 20 BBGD Cc1cc(C(=O)NNC(=O)C(C)(C)O)nn1C 787947064 IBJWDWVSUWXGFZ-UHFFFAOYSA-N 240.263 -0.740 50 20 BBGD COc1ncnc(N)c1C=NNC(=O)O 829665178 RTDBOTQFNYUQLR-UHFFFAOYSA-N 211.181 -0.331 50 20 BBGD CO[C@@H](CC(C)C)C(=O)NNC(=O)C(C)(C)O 841426775 MEDDJZRYFYVSAS-QMMMGPOBSA-N 246.307 -0.034 50 20 BBGD COCCOCC(=O)NN=C1CN(C)C[C@@H]1C 872401575 AISCIRIXCGKJDL-VIFPVBQESA-N 243.307 -0.297 50 20 BBGD CC(C)(C)C(=O)NNC(=O)[C@@]1(C)CCNC1=O 874060349 GAXLGZKBOBEYTP-NSHDSACASA-N 241.291 -0.294 50 20 BBGD Cc1nc[nH]c1CC(=O)NN(C)C[C@@H](C)O 910153375 SMZORJXMFQVJRZ-SSDOTTSWSA-N 226.280 -0.396 50 20 BBGD O=C(NN=C1CCS(=O)(=O)C1)C1CC1 912780688 CCOMKTFXBZLIGA-UHFFFAOYSA-N 216.262 -0.313 50 20 BBGD C#CCCCC(=O)NNC(=O)CCc1nc[nH]n1 1119912186 WPNGJLGGVZIDSK-UHFFFAOYSA-N 249.274 -0.312 50 20 BBGD Cc1ncccc1CC(=O)NNC(=O)CO 1323070542 OZQRQEPKZFHLGL-UHFFFAOYSA-N 223.232 -0.928 50 20 BBGD O=C(NNc1nc[nH]n1)c1ccccn1 1324333696 IINDOXSIESQHEV-UHFFFAOYSA-N 204.193 -0.043 50 20 BBGD CN(NC(=O)[C@]1(F)CCOC1)C(N)=O 1326822981 OTRWIJWYKVKROP-ZETCQYMHSA-N 205.189 -0.843 50 20 BBGD C[C@@H](CO)N(C)NC(=O)[C@H]1CCCCN1 1574067255 MXYHZCJSCHHEKC-DTWKUNHWSA-N 215.297 -0.528 50 20 BBGD COC(=O)NNC(=O)[C@@]1(C(=O)O)CC1(C)C 1604345227 XADLMKMDWKFHHN-SECBINFHSA-N 230.220 -0.126 50 20 BBGD CC(=O)N(C)CC(=O)NNC(=O)NCC1CC1 49166541 YWGLBLTWIDWCHG-UHFFFAOYSA-N 242.279 -0.795 50 20 BBGD CN(C)S(=O)(=O)NNC(=O)C(C)(C)C 78237372 RSDQCOKPJGALQN-UHFFFAOYSA-N 223.298 -0.540 50 20 BBGD CCOC(=O)C1(C(=O)NNC(=O)C2CC2)CC1 266776040 LGSHLJINZRGEKZ-UHFFFAOYSA-N 240.259 -0.113 50 20 BBGD COC(=O)N(C)NC(=O)[C@@H](O)c1ccccn1 286524355 XVOTWJMJPUBLMX-QMMMGPOBSA-N 239.231 -0.156 50 20 BBGD C=CCOc1ccccc1C(=O)NCB(O)O 585055435 AAVQRQGXIWPHIG-UHFFFAOYSA-N 235.048 -0.007 50 20 BBGD C[C@H](CC(=O)NNC(=O)CO)c1ccncc1 753445606 PXUOYPPJACFJPG-MRVPVSSYSA-N 237.259 -0.285 50 20 BBGD COc1cnc(C(=O)NNC(=O)C(C)C)nc1 814734460 KUFFMWAZOAMBCR-UHFFFAOYSA-N 238.247 -0.098 50 20 BBGD C#CC[C@H](CO)NC(=O)/C(C#N)=C\OCC 820055339 XLTNOMCHTNHUAJ-HSTULFTRSA-N 222.244 -0.069 50 20 BBGD N#C[C@@H]1COCCN1S(=O)(=O)CCl 820793143 RMDJCRGZUXCCPJ-ZCFIWIBFSA-N 224.669 -0.263 50 20 BBGD COCn1ccc(C(=O)NN(C)[C@H](C)CO)n1 823918006 PSTYHOBHAUTRKG-MRVPVSSYSA-N 242.279 -0.556 50 20 BBGD O=C(NNc1cccnn1)[C@H](O)C1CC1 832039779 REUPEERCOQOBBM-MRVPVSSYSA-N 208.221 -0.309 50 20 BBGD NNC(=O)N[C@H]1CC(=O)N(c2ccccc2)C1 841744447 NXUHOPWNNDHYHV-QMMMGPOBSA-N 234.259 -0.035 50 20 BBGD COCCN(C)NC(=O)Cc1ncc[nH]1 854411987 APSCZVQZJAMYNG-UHFFFAOYSA-N 212.253 -0.438 50 20 BBGD CN1CC[C@@H]1CNC(=O)NNC(=O)C1CCC1 925410896 KMNHNJSFAXLZRQ-SECBINFHSA-N 240.307 -0.179 50 20 BBGD CC(=O)NNC(=O)[C@H](O)c1cccnc1 1117100506 ISGGAOOIFSDMIP-MRVPVSSYSA-N 209.205 -0.718 50 20 BBGD CCNC(=O)NNC(=O)[C@H](C)n1ccnc1 1317999048 QOSDUCMYDSWSCC-ZETCQYMHSA-N 225.252 -0.206 50 20 BBGD CCCNC(=O)NNC(=O)c1cncnc1 1320185331 YKAKAQFJHSIGLW-UHFFFAOYSA-N 223.236 -0.169 50 20 BBGD O=C1CC[C@@H](C(=O)NNC(=O)c2cc[nH]c2)N1 1329202272 XXMAKVVFQHJUFZ-ZETCQYMHSA-N 236.231 -0.946 50 20 BBGD O=C(C[C@@H]1CC(=O)N1)NNc1ncccn1 1347310201 DVQRITDEXZBQTC-LURJTMIESA-N 221.220 -0.802 50 20 BBGD CS(=O)(=O)c1ccc(NCC(=O)NN)cc1 1579351825 WHGCHWNDTOVHRN-UHFFFAOYSA-N 243.288 -0.508 50 20 BBGD O=C(O)CCCC=NNC(=O)[C@H]1CCC(=O)N1 1595031700 WXDUDPNQSVGADD-SSDOTTSWSA-N 241.247 -0.378 50 20 BBGD O=S1(=O)CC[C@H](NS(=O)(=O)CCl)C1 82512055 JXOBZMRHRDKIQG-YFKPBYRVSA-N 247.725 -0.711 50 20 BBGD O=C(NNc1ncccn1)[C@@H]1CSCN1 269103014 SZNNSGFFKFYPOK-LURJTMIESA-N 225.277 -0.418 50 20 BBGD CCO[C@H]1CN(C(=O)CCl)C[C@H]1O 409428133 FYTMUZCSUAHONM-RQJHMYQMSA-N 207.657 -0.167 50 20 BBGD CCOCCS(=O)(=O)NN(C)C(=O)OC 496903708 RSGBZTUOAZFSTI-UHFFFAOYSA-N 240.281 -0.445 50 20 BBGD CCOCCNC(=O)c1ccc(B(O)O)cc1 584930608 ODICFNPHBHQBTM-UHFFFAOYSA-N 237.064 -0.867 50 20 BBGD O=C(NC(CF)CF)c1ccc(B(O)O)cc1 584995682 QATCLNFVANQEDN-UHFFFAOYSA-N 243.018 -0.596 50 20 BBGD OB(O)c1ccc(CN[C@H]2CCCOC2)o1 585038236 XFGYMULNKBCZLO-QMMMGPOBSA-N 225.053 -0.772 50 20 BBGD Cc1cccc(O[C@@H](C)C(=O)NCB(O)O)c1 585058861 RVSMYOAEPCDANZ-VIFPVBQESA-N 237.064 -0.109 50 20 BBGD O=C(O)c1cccc(N2CC[C@H](B(O)O)C2)n1 585073886 PSUMSOUKHIGCRQ-ZETCQYMHSA-N 236.036 -0.167 50 20 BBGD NC(=O)NN=Cc1cnc2n1CCOC2 722884580 CWAJJEYWMDNEGB-UHFFFAOYSA-N 209.209 -0.585 50 20 BBGD O=C(NNC(=O)[C@@H](O)c1cccnc1)C1CC1 731867145 XFMSUFQISRKNDK-VIFPVBQESA-N 235.243 -0.328 50 20 BBGD CCCCNC(=O)NNC(=O)COCCOC 733138867 IOWFRVOMXWKZFP-UHFFFAOYSA-N 247.295 -0.220 50 20 BBGD CCNC(=O)NNC(=O)C1(O)CCCC1 754988608 OSBWSDRSJRRNQU-UHFFFAOYSA-N 215.253 -0.358 50 20 BBGD CCCNC(=O)CCC(=O)NN(C)CCOC 808071673 IKKNUDHLVPBQCJ-UHFFFAOYSA-N 245.323 -0.098 50 20 BBGD C[C@H](CO)N(C)NC(=O)CC1(O)CCC1 823917283 GZBFMVJWADJTOG-MRVPVSSYSA-N 216.281 -0.365 50 20 BBGD CCOC(=O)NCC(=O)NN(C)C(=S)NC 854925465 GZTYBTKDPRUFKQ-UHFFFAOYSA-N 248.308 -0.800 50 20 BBGD OB(O)c1cccc(CNCC(F)F)c1 863890230 QBCQUAYONWIBHG-UHFFFAOYSA-N 215.008 -0.279 50 20 BBGD CCCn1cc(C=NNC(=O)COC)nn1 872357269 YNNBLIFYVUUCNH-UHFFFAOYSA-N 225.252 -0.215 50 20 BBGD C#CCCCC(=O)NNC(=O)[C@H](CC)CO 887146897 PADMYXFKKRSHOQ-SECBINFHSA-N 226.276 -0.044 50 20 BBGD CCC[C@](C)(O)C(=O)NN(C)C[C@@H](C)O 910161365 XYNYOCUSDPBNGQ-SCZZXKLOSA-N 218.297 -0.119 50 20 BBGD CC(=O)NC(C)(C)C(=O)NN(C)C[C@@H](C)O 910166257 UJCIWWFJYISJHB-SSDOTTSWSA-N 231.296 -0.755 50 20 BBGD C[C@H](O)CN(C)NC(=O)[C@H]1[C@H]2C(=O)CC[C@H]21 910185043 XFYRONQMUGAKOL-MVHNUAHISA-N 226.276 -0.445 50 20 BBGD O=C(NCC1CC1)NNC(=O)[C@]1(F)CCOC1 1117667277 VEYQDJPVEQKBBP-JTQLQIEISA-N 245.254 -0.145 50 20 BBGD COC(=O)NNC(=O)c1noc(C)n1 1319531766 IJJWASFJNQMERN-UHFFFAOYSA-N 200.154 -0.621 50 20 BBGD CCN(CCO)NC(=O)c1cccc[n+]1[O-] 1332471466 XSIZQBLVNRUSDC-UHFFFAOYSA-N 225.248 -0.721 50 20 BBGD CCNC(=O)CC(=O)NNc1cccnn1 1342281163 YZUIRQXNCPUUKF-UHFFFAOYSA-N 223.236 -0.554 50 20 BBGD C=CC[C@H](NNC(=O)[C@H]1COCCO1)C(=O)O 1588750762 ZVEWIPVIWIAYOI-JGVFFNPUSA-N 244.247 -0.948 50 20 BBGD CC1=C(C(=O)NNC(=O)C(C)(C)O)CCCO1 277960755 MOHDMPFDZWBLQT-UHFFFAOYSA-N 242.275 -0.011 50 20 BBGD CCOC(=O)NNC(=O)c1ccc(OC)nn1 491620903 OTCZMCPZORSMKY-UHFFFAOYSA-N 240.219 -0.124 50 20 BBGD COC(=O)N(C)NC(=O)c1cn(C)cn1 496338803 FLRMFLSMQPNWRR-UHFFFAOYSA-N 212.209 -0.237 50 20 BBGD O=C(NC[C@@H]1CCOC1)c1cccc(B(O)O)c1 584933381 GPZRIYCNOVKPFI-VIFPVBQESA-N 249.075 -0.867 50 20 BBGD OB(O)c1cccc(CNC2CCOCC2)c1 585016984 GVTWGMIHAOFGHL-UHFFFAOYSA-N 235.092 -0.365 50 20 BBGD CSCCNCc1ccccc1B(O)O 585045568 IYUXQHPHDXWXIQ-UHFFFAOYSA-N 225.122 -0.181 50 20 BBGD Cc1ccc(C(=O)NNC(=O)CO)c(O)c1C 753438617 GYOQUHUCPMHFCG-UHFFFAOYSA-N 238.243 -0.238 50 20 BBGD C[C@@H](CO)N(C)NC(=O)[C@@H]1CC1(F)F 823918059 QWGOBOZEDKQCJY-WDSKDSINSA-N 208.208 -0.015 50 20 BBGD COC[C@@H](OC)C(=O)NN=c1cc[nH]cc1 831867658 FBMFSKYGNDPWOQ-SECBINFHSA-N 225.248 -0.392 50 20 BBGD C[C@@H]1OC(=O)N[C@H]1C(=O)NNC(=O)C(C)(C)C 841381352 ISAMJCTWIMBYAZ-NTSWFWBYSA-N 243.263 -0.323 50 20 BBGD CNC(=O)NNC(=O)/C=C(/C)COC 845276276 SFNCVUPAOZJNCD-XQRVVYSFSA-N 201.226 -0.461 50 20 BBGD CCNC(=O)N(C)NC(=O)[C@@H]1CC[C@@H]1C(N)=O 847686699 ICBVVZASRGAAOK-NKWVEPMBSA-N 242.279 -0.810 50 20 BBGD COC/C=C/C(=O)NNC(=O)c1cc(C)[nH]n1 867068976 FBSPIEMVJFBIQH-ONEGZZNKSA-N 238.247 -0.318 50 20 BBGD CCN(CCO)NC(=O)CCc1nc(C)no1 1119048298 WXSXEFIWAPDTNJ-UHFFFAOYSA-N 242.279 -0.344 50 20 BBGD CNC(=O)C(=O)NN=c1cc[nH]cc1Cl 1257193740 VNJLDTAEVRVSJZ-UHFFFAOYSA-N 228.639 -0.654 50 20 BBGD O=C([C@@H]1CCOC1)N1CC[C@@H](B(O)O)C1 1261844121 CGBKPWIZCVOOHW-HTQZYQBOSA-N 213.042 -0.902 50 20 BBGD C[C@H](NC(N)=O)C(=O)NN=c1cc[nH]cc1 1320704792 DVYRKJKBEXOCOB-LURJTMIESA-N 223.236 -0.997 50 20 BBGD CC(C)(C)NC(=O)NNC(=O)C(=O)NC1CC1 1322523630 UPHSDRFEHNKKMB-UHFFFAOYSA-N 242.279 -0.606 50 20 BBGD Cn1nncc1NNC(=O)C1=COCCC1 1325022455 FJRNCBPKIUBCNP-UHFFFAOYSA-N 223.236 -0.048 50 20 BBGD CC[C@H](C#N)C(=O)NNc1nnc(C)c(O)n1 1328832480 NVEWAGMPOICKQJ-ZCFIWIBFSA-N 236.235 -0.122 50 20 BBGD CCNC(=O)NNC(=O)c1nccnc1C 1330785030 CNVILXNWLVZZMB-UHFFFAOYSA-N 223.236 -0.251 50 20 BBGD C=CCNC(=S)NNC(=O)c1ccncn1 1344523769 KOBRSVFYIHEXEY-UHFFFAOYSA-N 237.288 -0.229 50 20 BBGD CC(=O)NNC(=O)c1cccn2c(O)nnc12 1347769142 IGKMJHOFNJAYHT-UHFFFAOYSA-N 235.203 -0.784 50 20 BBGD CNNC(=O)C(=O)C1CCSCC1 1351278126 DIDMMZUJKFVKRM-UHFFFAOYSA-N 202.279 -0.051 50 20 BBGD CC1(C)CN[C@@H]1C(=O)NN=c1cc[nH]cc1 1573614314 ILCPSLOOWHNMTG-SECBINFHSA-N 220.276 -0.055 50 20 BBGD COC(=O)NN=Cc1cc(C(=O)O)nn1C 1593858769 YAKDWEMOCHRHFU-UHFFFAOYSA-N 226.192 -0.192 50 20 BBGD COCCN(C)NC(=O)c1cc(C(=O)O)no1 1599232217 OQXNNKOIXVMMIO-UHFFFAOYSA-N 243.219 -0.404 50 20 BBGD O=C(O)C(=O)NN=C1CCCc2c[nH]nc21 1601637538 ADEDIPRLSLWELZ-UHFFFAOYSA-N 222.204 -0.349 50 20 BBGD CNC(=O)NNS(=O)(=O)c1ccc(F)cc1 48962005 RRKOZRPUIMXHHK-UHFFFAOYSA-N 247.251 -0.052 50 20 BBGD COC(=O)NCC(=O)NNC(=O)C1CCC1 491330179 ZKCNIRQNASIXTQ-UHFFFAOYSA-N 229.236 -0.710 50 20 BBGD CCCCn1ncc(C(=O)NCB(O)O)c1C 585062279 FDINUPRYXAAQEM-UHFFFAOYSA-N 239.084 -0.267 50 20 BBGD Cc1n[nH]cc1C(=O)NNC(=O)c1ccon1 732083004 SOJURTXWOFDELJ-UHFFFAOYSA-N 235.203 -0.219 50 20 BBGD O=C(O)NNS(=O)(=O)C[C@H]1CCCCO1 738662018 PJJYMGDOBZGGRP-ZCFIWIBFSA-N 238.265 -0.343 50 20 BBGD NC(=O)c1ccc(C(=O)NNC(=O)C2CC2)o1 746775685 NRIIHDRAYIZFTP-UHFFFAOYSA-N 237.215 -0.451 50 20 BBGD COc1ccnc(NNC(=O)CC2COC2)n1 769689602 QTPGWWDVBSATMU-UHFFFAOYSA-N 238.247 -0.035 50 20 BBGD CCCNC(=O)NNC(=O)CC(C)(C)O 792092643 NKLAGWSRMROITL-UHFFFAOYSA-N 217.269 -0.112 50 20 BBGD CC(=O)NNC(=O)c1nnc(C)s1 854155038 OUWQZMMKCADBJG-UHFFFAOYSA-N 200.223 -0.373 50 20 BBGD COCCN(C)NC(=O)C[C@H]1CCC(=O)N1C 854409766 LUQWPBPZZXBXCO-SECBINFHSA-N 243.307 -0.393 50 20 BBGD COCC(=O)NNC(=O)OCC(F)(F)F 856026983 UOXLXAYJWILSFO-UHFFFAOYSA-N 230.142 -0.048 50 20 BBGD C[C@@]1(CNS(N)(=O)=O)C[C@H]1Br 856757367 YAWVNMGECOOKRO-UHNVWZDZSA-N 243.126 -0.047 50 20 BBGD O=C1CC[C@H](CC(=O)NN=c2cc[nH]cc2)CN1 857482694 HXYKZOTUASHTEP-SECBINFHSA-N 248.286 -0.137 50 20 BBGD CC(C)(C)CC(=O)NNC(=O)[C@@H]1CCC(=O)N1 862450451 UBTIQQRSIJPUPS-ZETCQYMHSA-N 241.291 -0.151 50 20 BBGD CC(C)CC(=O)NNC(=O)[C@@H]1CCC(=O)N1 902931424 UBYVFHMIMNCQHL-ZETCQYMHSA-N 227.264 -0.542 50 20 BBGD C[C@@H](O)CN(C)NC(=O)CCCC(=O)N(C)C 910167809 MUPMJBGLLYSMRL-SECBINFHSA-N 245.323 -0.411 50 20 BBGD CC[C@H](CO)NCC(=O)NNC(=O)C(C)C 931774288 WYGYABSEGOTRRM-MRVPVSSYSA-N 231.296 -0.850 50 20 BBGD CCN(CCO)NC(=O)c1cnnc(O)c1 1119103876 GJIAUNRHOPNPHR-UHFFFAOYSA-N 226.236 -0.859 50 20 BBGD NC(=O)[C@H]1CC[C@@H](CNC(=O)CCl)O1 1253967857 DAHSWRXFNNEEHM-NTSWFWBYSA-N 220.656 -0.626 50 20 BBGD COc1cccc(C=NNC(=O)CCO)n1 1255675500 JHCIIJXAUMYJRX-UHFFFAOYSA-N 223.232 -0.077 50 20 BBGD CNC(=O)NNC(=O)c1oc(C)nc1C 1323407576 UYIQAYDUPUCLEN-UHFFFAOYSA-N 212.209 -0.135 50 20 BBGD Cn1ncnc1C=NNC(=O)C(C)(C)O 1326486288 NTNBAODANIVUNJ-UHFFFAOYSA-N 211.225 -0.964 50 20 BBGD CS(=O)(=O)CC(=O)NN=C[C@@H]1CCOC1 1330141843 FCBGTCOWGYHKNW-ZETCQYMHSA-N 234.277 -0.831 50 20 BBGD CCn1nccc1C(=O)N1CC[C@@H](B(O)O)C1 1351730103 TUIFVEFRENMSAO-MRVPVSSYSA-N 237.068 -0.408 50 20 BBGD CC(C)NC(=O)NNC(=O)[C@@H]1CC[C@H]1C(=O)O 1588925015 CORXSOAQAVEASO-RNFRBKRXSA-N 243.263 -0.164 50 20 BBGD COC(=O)N(C)NC(=O)[C@](C)(OC)C(=O)O 1593856018 SDAMIYWZLAGWLP-QMMMGPOBSA-N 234.208 -0.795 50 20 BBGD C[C@@H]1CCC[C@H]1NC(=O)NNC(=O)C(=O)O 1594360450 VJKISPJGLLRIFK-PHDIDXHHSA-N 229.236 -0.410 50 20 BBGD CCCC(=O)NNC(=O)N1CCOCC1 194903697 QANIDIVFHNLJQY-UHFFFAOYSA-N 215.253 -0.141 50 20 BBGD C[C@H](CO)CNCc1ccccc1B(O)O 585018627 NVAOQRPUOBSSTJ-VIFPVBQESA-N 223.081 -0.916 50 20 BBGD CC[C@H]1CC[C@@H](C(=O)NCB(O)O)O1 585059871 DSJMXENNZSIYKH-BQBZGAKWSA-N 201.031 -0.928 50 20 BBGD COCC(=O)NN=C1CCN2CCC[C@@H]12 765585143 XFTRQQUUGRKEQM-VIFPVBQESA-N 211.265 -0.027 50 20 BBGD CNC(=O)c1ccc(C=NNC(=O)CO)cc1 776778388 XIPXFZMIGDDPME-UHFFFAOYSA-N 235.243 -0.511 50 20 BBGD Cc1cccnc1NNC(=O)[C@H](C)NC(N)=O 791214518 IKBRMRGXAIMUEP-ZETCQYMHSA-N 237.263 -0.110 50 20 BBGD COCCN(C)NC(=O)CSCC#N 808075674 WPSPRZKIMCANRS-UHFFFAOYSA-N 217.294 -0.147 50 20 BBGD C[C@H](O)CN(C)NC(=O)CCN1CCCC1=O 821217583 LNLMYHWTDOQIIF-VIFPVBQESA-N 243.307 -0.657 50 20 BBGD CNC(=O)NNC(=O)Cn1nccc1C 858747733 JNBZOAXOTLURCR-UHFFFAOYSA-N 211.225 -0.848 50 20 BBGD CC[C@@H](NC(C)=O)C(=O)NNc1ccncn1 868646409 REJHEFVHOPZLQA-MRVPVSSYSA-N 237.263 -0.166 50 20 BBGD CCNC(=O)N(C)NC(=O)c1cc(=O)cc[nH]1 935290644 CQUJTPWGMDZEMC-UHFFFAOYSA-N 238.247 -0.319 50 20 BBGD NNC(=O)c1cccc(OCC(N)=O)c1 1329252028 DWXNSJDMAXANDD-UHFFFAOYSA-N 209.205 -0.846 50 20 BBGD CCN(CCO)NC(=O)CO[C@@H]1CCOC1 1352229372 JIIACFDRFXFOJD-SECBINFHSA-N 232.280 -0.863 50 20 BBGD CC1(C)CN[C@@H]1C(=O)NNC(=O)c1ccncc1 1573615053 VACRARMEIBAUQC-SECBINFHSA-N 248.286 -0.159 50 20 BBGD CCNC(=O)NNC(=O)[C@@]1(C)C[C@H](N)CCO1 1577793896 VUWDBEYKUBAHSP-GMSGAONNSA-N 244.295 -0.767 50 20 BBGD CC(C)C(=O)NNC(=O)N[C@H]1C[C@H](C(=O)O)C1 1602959282 KXOBGLUBCLICRU-LJGSYFOKSA-N 243.263 -0.164 50 20 BBGD CC(=NNC(=O)NCC(=O)O)c1cn(C)cn1 1602990768 GMTOAWIZBIYNPZ-UHFFFAOYSA-N 239.235 -0.472 50 20 BBGD CO[C@@H](C(=O)O)C(=O)NNc1cc(C)ccn1 1604435831 ZDWTTXJGLKJPBN-MRVPVSSYSA-N 239.231 -0.067 50 20 BBGD O=C(NNc1ccncc1)[C@H]1COCCO1 180480215 JBZVJSDZEVPBGB-SECBINFHSA-N 223.232 -0.060 50 20 BBGD COC(=O)NCCC(=O)NNC(=O)C(C)C 490893416 CZVUUHLHFZZACZ-UHFFFAOYSA-N 231.252 -0.464 50 20 BBGD OB(O)c1ccc(CNC[C@H](O)C(F)F)cc1 585039124 NSTAXAMATDJCAV-VIFPVBQESA-N 245.034 -0.918 50 20 BBGD CC[C@H](NCc1ccccc1B(O)O)[C@@H](C)O 585044098 YPGHMEAASDQJCK-SKDRFNHKSA-N 237.108 -0.385 50 20 BBGD COc1ccc(F)cc1C(=O)NCB(O)O 585056537 XJWZXGIVHGKLDJ-UHFFFAOYSA-N 227.000 -0.424 50 20 BBGD CCOc1ccc(CC(=O)NCB(O)O)cc1 585056665 SWRIEJJIZWUWOQ-UHFFFAOYSA-N 237.064 -0.244 50 20 BBGD C[C@@H]1CCC[C@H](OCC(=O)NCB(O)O)C1 585060639 UTQIBAAYPMNHHC-BDAKNGLRSA-N 229.085 -0.290 50 20 BBGD CCOCC(=O)NNC(=O)N[C@@H]1CCOC1 752707191 VZXCJNPIMCEOOT-SSDOTTSWSA-N 231.252 -0.858 50 20 BBGD Cc1nccn1CCCC(=O)NNC(=O)CO 753442436 GKWOZXDMEWZDOK-UHFFFAOYSA-N 240.263 -0.889 50 20 BBGD CC(=O)NNC(=O)Nc1ccn(CCC#N)n1 753935587 MVQZAKIPPBGQSR-UHFFFAOYSA-N 236.235 -0.031 50 20 BBGD Cc1cccc2ncc(C=NNC(=O)C(N)=O)n12 755491715 PCJHLPACZHIAMZ-UHFFFAOYSA-N 245.242 -0.422 50 20 BBGD CC(C)(O)C(=O)NNC(=O)CC1CCOCC1 768248083 UXUSOFAUQDACAJ-UHFFFAOYSA-N 244.291 -0.279 50 20 BBGD CN(NC(=O)/C=C\c1cnn(C)c1)C(N)=O 778414955 MCFNPKOPEVBZMO-ARJAWSKDSA-N 223.236 -0.525 50 20 BBGD COc1cccc(NNC(=O)c2nc[nH]n2)n1 781023839 JSLPTOGWOCMAJV-UHFFFAOYSA-N 234.219 -0.035 50 20 BBGD CCN(CCO)NC(=O)c1ccnc(C)n1 823852360 FGKXGRPVQUGECD-UHFFFAOYSA-N 224.264 -0.256 50 20 BBGD Cc1nccnc1C(=O)NN(C)[C@@H](C)CO 823906699 AOEMMHHXEYOLPW-ZETCQYMHSA-N 224.264 -0.258 50 20 BBGD CCn1ccc(C(=O)NNC(=O)C(C)(C)O)n1 843865473 RPCGULYSRFJDQY-UHFFFAOYSA-N 240.263 -0.565 50 20 BBGD O=C(NNC(=O)[C@@H]1CCCO1)c1cc[nH]n1 855358021 YLEDVSGARCZJDT-ZETCQYMHSA-N 224.220 -0.650 50 20 BBGD Cc1cccc(NNC(=O)[C@H]2CCNC2=O)n1 862519334 BEIWYBIWGRDHII-QMMMGPOBSA-N 234.259 -0.031 50 20 BBGD CC(C)C(=O)NNC(=O)[C@@]1(C)CCNC1=O 873797221 NYNGQJWBNHKKGK-JTQLQIEISA-N 227.264 -0.684 50 20 BBGD CCCNC(=O)NNC(=O)[C@@H](C)N(C)C 874214286 XSOOPICDCBGEOZ-SSDOTTSWSA-N 216.285 -0.323 50 20 BBGD CC[C@H](O)[C@@H](C)C(=O)NN(C)C(N)=O 901279512 RUXHEGOPLPDHPP-RITPCOANSA-N 203.242 -0.565 50 20 BBGD C[C@H](O)CN(C)NC(=O)[C@@H]1CCO[C@@H]1C 910156660 VRYIMTDJAKJIGM-DJLDLDEBSA-N 216.281 -0.245 50 20 BBGD CCN1C[C@H](C(=O)NN(C)C[C@H](C)O)CC1=O 910174187 SDPKBRWAHCCQSJ-DTWKUNHWSA-N 243.307 -0.801 50 20 BBGD NC(=O)c1c[nH]c(C(=O)NNC(=O)C2CC2)c1 1116203287 DUFWDBXHSIABJM-UHFFFAOYSA-N 236.231 -0.715 50 20 BBGD COC1(C(=O)NNC(C)=O)CCOCC1 1321456018 YJIFGKZRZVMWOJ-UHFFFAOYSA-N 216.237 -0.651 50 20 BBGD O=C(NNC(=O)N1CCOCC1)c1ncc[nH]1 1330790907 QGTLKACQACTJIV-UHFFFAOYSA-N 239.235 -0.904 50 20 BBGD O=C(CN1CCCC1=O)NNC(=O)[C@@H]1C[C@H]1F 1347384747 IRNDZOOASQEKSJ-RNFRBKRXSA-N 243.238 -0.886 50 20 BBGD CO[C@H](C)CCC(=O)N1CC[C@@H](B(O)O)C1 1348490877 WCUKSWQUQCFADI-RKDXNWHRSA-N 229.085 -0.123 50 20 BBGD O=C(O)CCCC(=O)NNC(=O)c1cn[nH]c1 1595027822 PSOJVECXDJOGKU-UHFFFAOYSA-N 240.219 -0.574 50 20 BBGD CN(C)CC(=O)NNC(=O)c1ccco1 72816619 AXGMSAUJEMEOJP-UHFFFAOYSA-N 211.221 -0.398 50 20 BBGD CC(C)(C)C(=O)NNC(=O)CCNC(=O)O 167540243 NWJUDLJSMCTDGF-UHFFFAOYSA-N 231.252 -0.162 50 20 BBGD CC(C)Cn1cc(C(=O)NNC(=O)CO)cn1 182760707 FIMLEXPTKSBPTB-UHFFFAOYSA-N 240.263 -0.708 50 20 BBGD CN1CCN(c2ccc(B(O)O)s2)CC1 238315457 DTHZVPKAYKGEAZ-UHFFFAOYSA-N 226.110 -0.820 50 20 BBGD COC(=O)N(C)NC(=O)c1cnsn1 286373031 NSDMGGPDTIFECY-UHFFFAOYSA-N 216.222 -0.119 50 20 BBGD N#Cc1cc(C(=O)NNC(=O)[C@@H]2CCCO2)c[nH]1 294511727 DMHPRNAUVRTMCM-VIFPVBQESA-N 248.242 -0.174 50 20 BBGD OB(O)c1ccc(CNCC2(O)CCC2)cc1 585023455 LJCADYWXCWXANA-UHFFFAOYSA-N 235.092 -0.629 50 20 BBGD O=C(O)[C@@H](C(=O)NCB(O)O)C1CCCC1 585063275 VZHQRQYRRXZABI-SSDOTTSWSA-N 229.041 -0.994 50 20 BBGD CCOCCNC(=S)NNC(=O)N(C)C 751008164 XTJCMEHPYAMTMC-UHFFFAOYSA-N 234.325 -0.327 50 20 BBGD CCN(CCO)NC(=O)[C@H]1CCCOC1 823856568 VEDDRFJGWNHKNA-VIFPVBQESA-N 216.281 -0.242 50 20 BBGD C[C@@H](C(=O)NN(C)[C@H](C)CO)c1cnn(C)c1 823946790 OQASYJYGAGYAJE-RKDXNWHRSA-N 240.307 -0.133 50 20 BBGD CC(C)n1cnc(S(=O)(=O)NNC(=O)O)c1 833513877 YRFNZKMYKRECNI-UHFFFAOYSA-N 248.264 -0.075 50 20 BBGD C=C[C@H](NNC(=O)[C@H]1CCO[C@@H]1C)C(=O)OC 843288348 AVYSRSZAYPQZIT-VGMNWLOBSA-N 242.275 -0.240 50 20 BBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@H](C)N(C)C 843980964 YXGHPDHXPAHYOC-CIUDSAMLSA-N 243.307 -0.491 50 20 BBGD Cc1ccnc(NNC(=O)[C@H]2CCNC2=O)c1 857149189 QHLQZKIVWQDRDN-QMMMGPOBSA-N 234.259 -0.031 50 20 BBGD CN1CC[C@@H]1CNCc1cccc(B(O)O)c1 896595797 OTLKYAWEEGRZMY-GFCCVEGCSA-N 234.108 -0.840 50 20 BBGD CC(=O)CSCC(=O)NN(C)C[C@@H](C)O 910153350 SDDPLXDYGFWZMO-SSDOTTSWSA-N 234.321 -0.348 50 20 BBGD O=C(Cn1cncn1)NNC(=O)C1CCCC1 914842825 QRCHTBZKSJYPTD-UHFFFAOYSA-N 237.263 -0.384 50 20 BBGD COC(=O)C(=O)NN=C1CCCn2nccc21 1261652559 MGEPTGBZJCXMEG-UHFFFAOYSA-N 236.231 -0.330 50 20 BBGD CCNC(=S)NNC(=O)C(=O)NC(C)C 1317723798 QWHUTLVUHMNRGS-UHFFFAOYSA-N 232.309 -0.974 50 20 BBGD CCC(=O)NNS(=O)(=O)c1cnn(C)c1 1317953319 PDPHMRXLMPBOHH-UHFFFAOYSA-N 232.265 -0.860 50 20 BBGD CN(C)C(=O)NNC(=O)CO[C@@H]1CCOC1 1318936236 TZLJQYDQXMLRRT-SSDOTTSWSA-N 231.252 -0.906 50 20 BBGD CN(C)C(=O)NNC(=O)[C@H]1C[C@]12CCOC2 1323944791 MOSRIKALVGHQGW-XCBNKYQSSA-N 227.264 -0.285 50 20 BBGD O=C(C[C@@H]1COCCN1)NNc1ncccn1 1326017093 VKYBMIDFKTWPSE-MRVPVSSYSA-N 237.263 -0.702 50 20 BBGD O=C(NNC(=O)c1ncc[nH]1)NC1CC1 1328187508 ZYZIOQRRFLWIBH-UHFFFAOYSA-N 209.209 -0.484 50 20 BBGD CON(C(=O)c1ccc(B(O)O)cc1)C(C)C 1331869413 SOEPWGXJNPYFSS-UHFFFAOYSA-N 237.064 -0.222 50 20 BBGD CNC(=O)/C(C#N)=C/c1cn(CC(=O)O)nn1 1333689181 MEMLNEUCTABZOI-QHHAFSJGSA-N 235.203 -0.984 50 20 BBGD CC[C@@H](F)C(=O)NNC(=O)C(=O)NC(C)C 1335503818 IANWCAGVZGFYED-ZCFIWIBFSA-N 233.243 -0.594 50 20 BBGD CO[C@H](C(=O)NN(C)C(N)=O)c1cnn(C)c1 1344550295 YCWWOUYMXNODDM-ZETCQYMHSA-N 241.251 -0.851 50 20 BBGD CC(C)(O)C(=O)NNC(=O)[C@@H]1C[C@H]1F 1348331032 IAGQTYBPNQSXRW-RFZPGFLSSA-N 204.201 -0.737 50 20 BBGD COC(=O)N(C)CC(=O)NNC(=O)C(C)(C)C 299133307 OSJVYQJTGITQLD-UHFFFAOYSA-N 245.279 -0.122 50 20 BBGD COC(=O)NNC(=O)c1cnc(C)[nH]c1=N 381565385 SFQGWXOUAXETOT-UHFFFAOYSA-N 225.208 -0.802 50 20 BBGD C#C[C@H](CC)NC(=O)NNC(=O)c1cnn(C)c1 491654106 DYZVMTFVOFJDCL-SECBINFHSA-N 249.274 -0.224 50 20 BBGD Cc1c(F)cccc1S(=O)(=O)NCB(O)O 585056213 REWYDPGUYATIRZ-UHFFFAOYSA-N 247.056 -0.576 50 20 BBGD C[C@@H](Oc1ccccc1C#N)C(=O)NCB(O)O 585061755 ZTJDHBSNUGQQNQ-MRVPVSSYSA-N 248.047 -0.546 50 20 BBGD CC[C@@H](OC)C(=O)N1CC[C@@H](B(O)O)C1 585074621 BQGBEHHIZIVZFQ-HTQZYQBOSA-N 215.058 -0.513 50 20 BBGD CC1(C)CCC[C@@H]1C(=O)NNC(=O)CO 776188951 UOQZZDSNXPBUSG-SSDOTTSWSA-N 214.265 -0.048 50 20 BBGD CC(C)[C@@H](O)C(=O)NNC(=O)C1CC1 794760753 SNDOFCRJNCFEKH-SSDOTTSWSA-N 200.238 -0.439 50 20 BBGD COCCN(C)NC(=O)[C@@H]1CCNC(=O)C1 808073709 OVXCGXJQCOCVRT-MRVPVSSYSA-N 229.280 -0.878 50 20 BBGD C[C@H]1C(=NNC(=O)C(N)=O)CC[C@@H]1CC(=O)O 814696310 CUPOTKOSJRBDGZ-PHDIDXHHSA-N 241.247 -0.535 50 20 BBGD CCC(=O)N[C@H](C)C(=O)NN(C)[C@H](C)CO 823971316 RXEXGBXYVSQEOK-HTQZYQBOSA-N 231.296 -0.755 50 20 BBGD CCN1C[C@H](C(=O)NN(C)[C@H](C)CO)CC1=O 823976916 LCVZXLZRSNXOFJ-RKDXNWHRSA-N 243.307 -0.801 50 20 BBGD NNC(=O)[C@H]1COCCN1CC(F)(F)F 825645037 NPDMJJOIQZGTKU-RXMQYKEDSA-N 227.186 -0.761 50 20 BBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N1CCC1 827274598 PQJISVVIWCRSFS-JGVFFNPUSA-N 227.264 -0.142 50 20 BBGD CC1(C)CC(=NNC(=O)[C@@H]2CCC(=O)N2)CO1 863151371 LQDFSHXYWGLKAG-QMMMGPOBSA-N 239.275 -0.064 50 20 BBGD COC(=O)NNC(=O)[C@H]1CCN(C)C(=O)C1 1116604316 PBHIRPGIMAZJDC-LURJTMIESA-N 229.236 -0.758 50 20 BBGD NC(=O)c1cc(C(=O)NNC(=O)C2CC2)c[nH]1 1317886747 PMSCRQZIQUJLIS-UHFFFAOYSA-N 236.231 -0.715 50 20 BBGD COC(=O)NNC(=O)c1ccnnc1C 1320262538 XSOGNKKTAHMTGW-UHFFFAOYSA-N 210.193 -0.214 50 20 BBGD COC[C@](C)(O)C(=O)NNC(=S)NC(C)C 1322449607 NYDKDADORYYICU-VIFPVBQESA-N 249.336 -0.713 50 20 BBGD Cc1cnn(CCC(=O)NNc2cnnn2C)c1 1328570041 INZMKIHMWTXBTA-UHFFFAOYSA-N 249.278 -0.147 50 20 BBGD NC(=O)NCCC(=O)NNc1ncc(F)cn1 1341763287 PTCSVAXXVLDOKO-UHFFFAOYSA-N 242.214 -0.883 50 20 BBGD O=C(NNC(=O)C(=O)O)N[C@@H]1[C@H]2CCC[C@H]21 1601553258 ZMFKVWXPQLTZHE-FMCRUOTFSA-N 227.220 -0.800 50 20 BBGD COC(=O)[C@@H](C)CC=NNC(=O)NCC(=O)O 1606320003 AZOSVBFAQRXPEP-LURJTMIESA-N 245.235 -0.445 50 20 BBGD O=S(=O)(CCl)NCCCOCCO 230794924 QKADJVZPYWOMQB-UHFFFAOYSA-N 231.701 -0.499 50 20 BBGD C[C@@H](Cl)C(=O)NC[C@@H]1CNC(=O)C1 307062108 MGYALPSJTDNHRK-RITPCOANSA-N 204.657 -0.134 50 20 BBGD CNC(=O)NNC(=O)/C=C\c1ccc[nH]1 491972487 KPZPYLITYZOJIC-PLNGDYQASA-N 208.221 -0.012 50 20 BBGD OB(O)c1ccc(CNC[C@H](O)C2CCC2)cc1 585044929 XODDGKJSSHETRV-ZDUSSCGKSA-N 249.119 -0.383 50 20 BBGD COc1cccc(C(=O)NCB(O)O)c1O 585061987 AWNVEXUHZRSSCP-UHFFFAOYSA-N 225.009 -0.857 50 20 BBGD COc1ccnc(N2CC[C@@H](B(O)O)C2)n1 585072890 GHOGVWYFXBWZEJ-SSDOTTSWSA-N 223.041 -0.462 50 20 BBGD CS/C=C\C(=O)NNC(=O)N1CCOCC1 751574041 UFNPARZDHMHDJS-UQCOIBPSSA-N 245.304 -0.064 50 20 BBGD CC(C)[C@H](C(=O)NNC(=O)C(C)(C)O)N(C)C 768243936 KRFVHMZOZJUKMM-MRVPVSSYSA-N 245.323 -0.509 50 20 BBGD C=C[C@](C)(O)CC(=O)NNC(=O)NC 773847470 KFVRJUPWPAJOSJ-QMMMGPOBSA-N 201.226 -0.726 50 20 BBGD CN(NC(=O)c1cccc2nc(O)[nH]c12)C(N)=O 816958050 ARXFZYMGOPNRRU-UHFFFAOYSA-N 249.230 -0.076 50 20 BBGD CCC[C@H](O)C(=O)NN(C)[C@@H](C)CO 823384034 ABRGQWTUOOQUKP-YUMQZZPRSA-N 204.270 -0.509 50 20 BBGD CCN(CCO)NC(=O)C1(OC)CCC1 823873711 GLDSJGRGNJHZEI-UHFFFAOYSA-N 216.281 -0.099 50 20 BBGD Cc1nc[nH]c1C(=O)NN(C)[C@H](C)CO 823913109 OHRKAJISEGSCJY-ZCFIWIBFSA-N 212.253 -0.324 50 20 BBGD C[C@@H](CO)N(C)NC(=O)C[C@H]1CCC(=O)N1C 823918667 ZOPDBQBLHVUPQU-DTWKUNHWSA-N 243.307 -0.659 50 20 BBGD COC(=O)Cn1cc(C(C)=NNC(=O)O)nn1 828700500 WKGMFWQIYYXHBY-UHFFFAOYSA-N 241.207 -0.557 50 20 BBGD CCNC(=O)N(C)NC(=O)CCCCN 831945829 XDQQSVPSPMOJET-UHFFFAOYSA-N 216.285 -0.192 50 20 BBGD C[C@@H]1CCN(S(=O)(=O)NNC(=O)O)C1 833615558 GYYXFKDYQZAVSU-RXMQYKEDSA-N 223.254 -0.655 50 20 BBGD CCO[C@@H](C)C(=O)NN(C)C(=S)NC 854926155 VYQGSZVLTYNYMV-LURJTMIESA-N 219.310 -0.121 50 20 BBGD C[C@]1(C(=O)NNC(=O)CO)C[C@H]2CC[C@H]1C2 863903553 KWXMOSKGCRBZCF-LAEOZQHASA-N 226.276 -0.048 50 20 BBGD COC/C=C/C(=O)NNC(=O)c1c[nH]nc1C 865568432 PDYFMWWRNATCRX-ONEGZZNKSA-N 238.247 -0.318 50 20 BBGD CO[C@]1(C(=O)NNc2nc[nH]n2)CCSC1 897777446 NJKSDVNKSCQDIH-MRVPVSSYSA-N 243.292 -0.230 50 20 BBGD C[C@H](O)CN(C)NC(=O)c1cc(C=O)cn1C 910148387 BRHYARAKHFOWAN-QMMMGPOBSA-N 239.275 -0.205 50 20 BBGD C[C@H](O)CN(C)NC(=O)[C@@H]1CO[C@@H](C)C1 910158435 FUXXVYDPDIDXCE-CIUDSAMLSA-N 216.281 -0.245 50 20 BBGD C[C@H](O)CN(C)NC(=O)c1cccc(=O)n1C 910159998 DXQNINHMDSZLRH-QMMMGPOBSA-N 239.275 -0.657 50 20 BBGD COC(=O)NCCC(=O)NNc1cnnn1C 1117761410 ACCDZCXJTXPQNH-UHFFFAOYSA-N 242.239 -0.996 50 20 BBGD CN(NC(=O)C[C@H]1CC(=O)NC1=O)C1CC1 1119899720 GANRSEVUWWDLKK-ZCFIWIBFSA-N 225.248 -0.835 50 20 BBGD O=C1NCCC[C@H]1C(=O)NNc1cccnn1 1261856568 IMWWSUKXIDHURJ-SSDOTTSWSA-N 235.247 -0.554 50 20 BBGD CN(NC(=O)[C@H]1CCCN(C(N)=O)C1)C1CC1 1327996963 NHJXUSXGJKKHHZ-QMMMGPOBSA-N 240.307 -0.098 50 20 BBGD CC[C@H](F)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 1336569729 RJBXLDKZAUQKLQ-WDSKDSINSA-N 231.227 -0.840 50 20 BBGD Cn1ncc(Cl)c1C=NNC(=O)C(N)=O 1338499427 OQVHFSOSKUHUPD-UHFFFAOYSA-N 229.627 -0.991 50 20 BBGD CC(C)[C@H](C(=O)O)C(=O)NNC(=O)CN(C)C 1588807874 JRYLRUYEDQTGJP-QMMMGPOBSA-N 245.279 -0.948 50 20 BBGD CO[C@H](C(=O)O)C(=O)NNc1ccccn1 1604434861 NYVPXOBRXIKWRH-ZETCQYMHSA-N 225.204 -0.376 50 20 BBGD CCNC(=O)NNC(=O)c1cnns1 49164378 PMJRJPDUAVXWAZ-UHFFFAOYSA-N 215.238 -0.498 50 20 BBGD CCC(=O)NNC(=O)[C@H](C)N(C)CC(C)(C)O 114728539 VIVFZDJGKPYBCC-QMMMGPOBSA-N 245.323 -0.365 50 20 BBGD Cc1cc(C(=O)NNC(=O)[C@H]2CCOC2)[nH]n1 153036288 MUOGNLXGRKIUGZ-ZETCQYMHSA-N 238.247 -0.484 50 20 BBGD O=C(CO)NNC(=O)c1cccc2c1CCC2 182758730 AMADXJJFOURTDE-UHFFFAOYSA-N 234.255 -0.071 50 20 BBGD C[C@@H](C(=O)NCB(O)O)c1ccccc1 195983174 ZNXHYFPIHOQFPM-MRVPVSSYSA-N 207.038 -0.082 50 20 BBGD NC(=O)NN=C1CC(=O)N2CCCC[C@H]12 379791582 GJYRNUKJMYHDHA-SSDOTTSWSA-N 210.237 -0.205 50 20 BBGD O=C(O)C1CC(=NNC(=O)[C@@H]2CCOC2)C1 393251279 BZHITWALPCPKIW-ULUSZKPHSA-N 226.232 -0.010 50 20 BBGD CC(C)(C)C(=O)NNC(=O)CSCC(=O)O 738675553 MICRLFKXCCKBIU-UHFFFAOYSA-N 248.304 -0.002 50 20 BBGD CCc1c(C(=O)NNC(=O)N(C)C)cnn1C 746001925 ZBUSJEFJNJSHAZ-UHFFFAOYSA-N 239.279 -0.102 50 20 BBGD CCOc1nc(C(=O)NN(C)C(N)=O)co1 773562482 SNELASYKPYIOPZ-UHFFFAOYSA-N 228.208 -0.271 50 20 BBGD CCNC(=O)NNC(=O)[C@H]1CO[C@H](C)C1 784149720 QTXMFCSOMKZAEK-RNFRBKRXSA-N 215.253 -0.238 50 20 BBGD CC(C)C[C@H](C(N)=O)C(=O)NN(C)[C@H](C)CO 823916954 BSEHBBUTKIFOJE-RKDXNWHRSA-N 245.323 -0.522 50 20 BBGD C[C@@H](CO)N(C)NC(=O)Cc1cc[nH]n1 823951012 HCJALNSKDYCGNP-ZETCQYMHSA-N 212.253 -0.704 50 20 BBGD COCCN(C)NC(=O)[C@H]1CCCN1C 837623539 LHMQAVCTOFJLKB-SECBINFHSA-N 215.297 -0.310 50 20 BBGD Cn1ccc(NC(=O)NNC(=O)C2CC2)n1 838730637 JXEOTTBBXOPNOP-UHFFFAOYSA-N 223.236 -0.017 50 20 BBGD CC[C@@H](C#N)C(=O)NNC(=O)c1ccnnc1 846268270 ZXKIJLNQGBDKKG-ZETCQYMHSA-N 233.231 -0.213 50 20 BBGD COCCOCC(=O)NNC(=O)[C@@H](C)C1CC1 869909822 KFNBTNFWIVDBND-QMMMGPOBSA-N 244.291 -0.157 50 20 BBGD OB(O)c1ccc(CNC[C@@H]2CCCOC2)cc1 876956033 FNUQOSDLRWUKLU-LBPRGKRZSA-N 249.119 -0.117 50 20 BBGD CCC(=O)NNC(=O)[C@H](C)N[C@@H](C)CC#N 878818053 KKTJAPPWZSPTGW-YUMQZZPRSA-N 226.280 -0.176 50 20 BBGD CNC(=S)N(C)NC(=O)Cc1cnc[nH]1 909992611 FULCSHJPRRHCNW-UHFFFAOYSA-N 227.293 -0.581 50 20 BBGD Cn1[nH]c(CN2CC=C(C#N)CC2)nc1=O 1116556665 BJQFWWWAIHUHKC-UHFFFAOYSA-N 219.248 -0.236 50 20 BBGD N#CC1=CCN(C(=O)CCC(N)=O)CC1 1262171348 RRBIVLXPJLMQHK-UHFFFAOYSA-N 207.233 -0.066 50 20 BBGD COC(=O)N(C)NC(=O)[C@H]1CCC(=O)NC1 1322251823 SIUZDEXZQSMARI-LURJTMIESA-N 229.236 -0.758 50 20 BBGD COc1ccsc1C=NNC(=O)C(N)=O 1322629039 DERREAMQYOFVGF-UHFFFAOYSA-N 227.245 -0.308 50 20 BBGD O=C(CO[C@@H]1CCOC1)NNC(=O)CC1CC1 1326395624 XQSIVMDCXZPDCB-SECBINFHSA-N 242.275 -0.261 50 20 BBGD Cn1ccc(NNC(=O)[C@H]2CC[C@H]2C(N)=O)n1 1328988250 HUPOQAAKGPGTGK-RQJHMYQMSA-N 237.263 -0.625 50 20 BBGD CC[C@@H](CO)NC(=O)NNC(=O)c1cn[nH]c1 1334930717 NVDULPFQWRJKNK-ZETCQYMHSA-N 241.251 -0.875 50 20 BBGD COC(=O)C(=O)NNC(=O)NC/C=C\Cl 1335149301 OALBOJSZPDXUKF-IHWYPQMZSA-N 235.627 -0.758 50 20 BBGD CCNC(=O)CNC(=O)NNc1ccccn1 193276201 BFTOFDXYHXFFMY-UHFFFAOYSA-N 237.263 -0.156 50 20 BBGD C[C@H]1OCC[C@]1(O)CNS(=O)(=O)CCl 227191617 XNBIKXRHCHPGTL-RQJHMYQMSA-N 243.712 -0.358 50 20 BBGD CCNC(=O)N(C)NC(=O)c1cnsn1 271437406 RCNJACVZUCERLP-UHFFFAOYSA-N 229.265 -0.156 50 20 BBGD CN(C)CC(=O)NNC(=O)/C=C/c1ccc[nH]1 287610621 HXBRTGJYNCBVMI-AATRIKPKSA-N 236.275 -0.263 50 20 BBGD CC#CCNC(=O)NNC(=O)[C@H]1CCCCO1 296423199 IJWZXBBDZMWWFK-SECBINFHSA-N 239.275 -0.091 50 20 BBGD COC(=O)N(C)NC(=O)CN1CCOCC1 495624681 GVZMQADWFOZAOR-UHFFFAOYSA-N 231.252 -0.952 50 20 BBGD CCOC(=O)NNC(=O)c1c[nH]nc1[N+](=O)[O-] 497014885 ZZKXXFZWWLNAAC-UHFFFAOYSA-N 243.179 -0.291 50 20 BBGD CCN(CCO)NC(=O)Cc1cc(C)on1 823860485 UQMRRYWNNCLPAR-UHFFFAOYSA-N 227.264 -0.129 50 20 BBGD CCN(CCO)NC(=O)C1(O)CCSCC1 823869185 CHOFLWRGSFGYFC-UHFFFAOYSA-N 248.348 -0.410 50 20 BBGD Cc1nnc(C(=O)NN(C)[C@@H](C)CO)s1 823917228 FSNQFUCSCPWTEZ-YFKPBYRVSA-N 230.293 -0.196 50 20 BBGD O=C(NNc1ccncn1)[C@H](O)C1CC1 854748105 WXNOGPHQMOMRGJ-MRVPVSSYSA-N 208.221 -0.309 50 20 BBGD O=C(NNc1ccncn1)[C@@H](O)C1CC1 854748106 WXNOGPHQMOMRGJ-QMMMGPOBSA-N 208.221 -0.309 50 20 BBGD COC(=O)CCCNC(=O)NN(C)C(=O)OC 874997986 GJKGITCQMVMZGX-UHFFFAOYSA-N 247.251 -0.148 50 20 BBGD OB(O)c1ccccc1CNC[C@@H]1CCCOC1 876956151 HWVIGZZXOBQIRA-NSHDSACASA-N 249.119 -0.117 50 20 BBGD C#CCO[C@H](C)C(=O)NNC(=O)c1cccnn1 882058134 CWOAEWNDVDTOPU-MRVPVSSYSA-N 248.242 -0.724 50 20 BBGD CC(=O)NNC(=O)[C@@H]1CCO[C@@H](C)C1 1117738337 GGHGMDUHTVAZER-POYBYMJQSA-N 200.238 -0.031 50 20 BBGD C[C@H](CO)N(C)NC(=O)CCc1cnccn1 1119047620 LJTDVRHHSRKYEU-SECBINFHSA-N 238.291 -0.247 50 20 BBGD CNC(=O)NNC(=O)c1cc(C)nnc1C 1253929613 CURFSIQSMVXRDS-UHFFFAOYSA-N 223.236 -0.333 50 20 BBGD Cc1ncc(C(=O)NNc2nccn(C)c2=O)[nH]1 1318920953 XYCAKZSVSBOJQO-UHFFFAOYSA-N 248.246 -0.431 50 20 BBGD CNC(=O)NNC(=O)[C@@H]1CCC(=O)C[C@@H]1C 1319873115 HBOYXRJAEZBAQK-POYBYMJQSA-N 227.264 -0.048 50 20 BBGD CC(=O)CCC(=O)NNC(=O)Cc1cc[nH]n1 1322652089 HWJUAGIUGZJWMJ-UHFFFAOYSA-N 238.247 -0.531 50 20 BBGD CS(=O)(=O)CCCC(=O)NNc1nc[nH]n1 1327872943 CWKUTECQNZUDDA-UHFFFAOYSA-N 247.280 -0.927 50 20 BBGD CCO/C=C(/C#N)C(=O)NCCn1cnnc1 1334435924 XWLLBZIKZPUEOZ-TWGQIWQCSA-N 235.247 -0.162 50 20 BBGD CNC(=S)N(C)NC(=O)[C@@H](C(=O)O)C(C)C 1604248900 BLWJXYCOBMCBJQ-LURJTMIESA-N 247.320 -0.190 50 20 BBGD C[C@@H]1C(=O)N=C(CCNC(=O)CCl)NC1=O 1887529340 INXADHNBNUJCAX-UHFFFAOYSA-N 245.666 -0.578 50 20 BBGD CCOC(=O)NNC(=O)Cn1ccccc1=O 45290280 JFCLEMHRLTZGCN-UHFFFAOYSA-N 239.231 -0.374 50 20 BBGD O=C(CO)NNC(=O)Cn1ccc2ccccc21 180954355 WAXJBQVKJKHRBX-UHFFFAOYSA-N 247.254 -0.219 50 20 BBGD COC(=O)C[C@@H](C)C(=O)NNC(=O)OC 274288505 LUHBMAAVZUOYBK-RXMQYKEDSA-N 218.209 -0.427 50 20 BBGD CC[C@H](O)CCNCc1cccc(B(O)O)c1 585029495 ZSXMYCUFWNJINE-LBPRGKRZSA-N 237.108 -0.383 50 20 BBGD COCCC1(C(=O)NCB(O)O)CCCC1 585057394 SPIDEBBLOHFJAA-UHFFFAOYSA-N 229.085 -0.289 50 20 BBGD O=C(NCB(O)O)c1cccc2cc(O)ncc12 585062625 LFFYJWKNZILEAF-UHFFFAOYSA-N 246.031 -0.318 50 20 BBGD CC(C)C(=O)NNC(=O)[C@@H]1CCN(C)C1 729511867 YFJOBZLKFPNMPQ-MRVPVSSYSA-N 213.281 -0.259 50 20 BBGD Cc1n[nH]cc1C(=O)NNC(=O)c1cnco1 759009389 ANPVZNNFNQNIAD-UHFFFAOYSA-N 235.203 -0.219 50 20 BBGD CCNC(=O)N(C)NC(=O)[C@](C)(O)C1CC1 804541514 DSNQINXSHHUOMN-SNVBAGLBSA-N 229.280 -0.160 50 20 BBGD CC1(C(=O)NNC(=O)c2cc[nH]n2)COC1 855356422 LPAAADDSEIQOMG-UHFFFAOYSA-N 224.220 -0.793 50 20 BBGD C#CCCCC(=O)NNC(=O)c1cn[nH]c1 862470963 ZOVBNJJJXQLXNI-UHFFFAOYSA-N 220.232 -0.026 50 20 BBGD O=C(NNC(=O)[C@H]1CCCCO1)c1cn[nH]c1 862471945 CWPZDTCVHVYKJZ-MRVPVSSYSA-N 238.247 -0.260 50 20 BBGD CN(C)CC(=O)NNC(=O)c1cc(Cl)no1 878681398 PTYUCXLENSGTIB-UHFFFAOYSA-N 246.654 -0.349 50 20 BBGD CCn1cc(C=NNC(=O)N(C)C)nn1 901180138 RYMUKQSMMQZRSO-UHFFFAOYSA-N 210.241 -0.097 50 20 BBGD C[C@H](O)CN(C)NC(=O)/C=C\[C@H]1CCOC1 910144770 MNERTKLKUBIJOO-CMIOBCHKSA-N 228.292 -0.077 50 20 BBGD CCc1cnc(C=NNC(=O)C(N)=O)s1 1117740515 AAGLEBOHXFLVDC-UHFFFAOYSA-N 226.261 -0.359 50 20 BBGD C[C@@H](CO)N(C)NC(=O)[C@H](C)Cc1cnc[nH]1 1261911193 WPOJHKOZZXRPAU-BDAKNGLRSA-N 240.307 -0.068 50 20 BBGD CN(NC(=O)CCc1ccc(O)nc1)C(N)=O 1320919759 SICSMNCTXAIZHE-UHFFFAOYSA-N 238.247 -0.239 50 20 BBGD CNC(=O)NNC(=O)CCc1ccon1 1327861554 CLAVYZJQIVOABG-UHFFFAOYSA-N 212.209 -0.433 50 20 BBGD O=C(NNC(=O)[C@@H]1CCN1)c1ccc(Cl)[nH]1 1580733497 WLRRLLTUSDJTHV-YFKPBYRVSA-N 242.666 -0.209 50 20 BBGD O=C(NNC(=O)C1(C(=O)O)CC1)c1ccc[nH]1 1594779247 ODTZXMHUUWFGNL-UHFFFAOYSA-N 237.215 -0.360 50 20 BBGD CC1(C)C[C@H]1CNC(=O)NNC(=O)C(=O)O 1604520394 JUCSMIFPBNMLTR-YFKPBYRVSA-N 229.236 -0.553 50 20 BBGD CCOCC(=O)NNC(=O)NCC(F)(F)F 68027400 AAILUZZCDHLQRV-UHFFFAOYSA-N 243.185 -0.084 50 20 BBGD CCO[C@H](C)C(=O)NNC(=O)CN(C)C 113427276 ITNPBDAZUBPNAB-SSDOTTSWSA-N 217.269 -0.880 50 20 BBGD C=CCCS(=O)(=O)NNC(=O)OC 178064907 SKPRSIIVNLPNNU-UHFFFAOYSA-N 208.239 -0.247 50 20 BBGD CCOC(=O)NCCCC(=O)NNC(=O)OC 274166496 ABGOOBKSPLBVSY-UHFFFAOYSA-N 247.251 -0.100 50 20 BBGD COc1ccc(NNC(=O)[C@@H](C)O)nc1 275568266 NGSVKBKPCIBWPI-ZCFIWIBFSA-N 211.221 -0.086 50 20 BBGD COCC1(C(=O)NNC(=O)OC)CC1 495325739 ADMDABPYNAMRAR-UHFFFAOYSA-N 202.210 -0.200 50 20 BBGD COC(=O)NNC(=O)c1cc(OC)no1 495411719 GPEVJEWLCUUZEL-UHFFFAOYSA-N 215.165 -0.316 50 20 BBGD OB(O)c1cccc(CN[C@@H]2CCSC2)c1 585038528 HKILKDDXDNXWFS-LLVKDONJSA-N 237.133 -0.039 50 20 BBGD O=C(O)c1cnc(N2CC[C@@H](B(O)O)C2)cn1 585073177 JOOPGKNVLNTVCM-ZCFIWIBFSA-N 237.024 -0.772 50 20 BBGD C[C@@](O)(C(=O)NNC(=O)NC1CC1)C1CC1 804302064 YSVMYSFCALAGEX-JTQLQIEISA-N 227.264 -0.360 50 20 BBGD O=C(CO)NNC(=O)c1cc(O)ccc1Cl 810919216 SSRKRVZJBPTSNK-UHFFFAOYSA-N 244.634 -0.201 50 20 BBGD CN1C(=O)CC[C@@H]1C(=O)NNc1ccncn1 821115390 MFCBOFDRYUVURO-SSDOTTSWSA-N 235.247 -0.460 50 20 BBGD C=CCOCC(=O)NN(C)[C@H](C)CO 823959983 TWMAYZXQEUPOHJ-MRVPVSSYSA-N 202.254 -0.467 50 20 BBGD CCNC(=O)NNC(=O)/C=C(\C)COC 845300758 XIFVHDQZGJHTIE-FNORWQNLSA-N 215.253 -0.071 50 20 BBGD CCOCCn1cc(C(=O)NNC(C)=O)cn1 856734875 ZHNTWZDOYPAUHJ-UHFFFAOYSA-N 240.263 -0.300 50 20 BBGD COCc1csc(C(=O)NNC(=O)CO)c1 857170108 MERILGGBCOTTBP-UHFFFAOYSA-N 244.272 -0.352 50 20 BBGD CCC1(C(=O)NNc2cnnn2C)COC1 857273931 WCGDKZLDRIURIU-UHFFFAOYSA-N 225.252 -0.315 50 20 BBGD O=C1CC[C@@H](C(=O)NN=Cc2cc[nH]c2)N1 863148396 BAADBIQGSZBOON-QMMMGPOBSA-N 220.232 -0.257 50 20 BBGD O=C1CC[C@H](C(=O)NNC2=N[C@H]3C=C[C@H]2C3)N1 863148868 LTSHOJKKQUQIGL-BIIVOSGPSA-N 234.259 -0.757 50 20 BBGD C=CC(=O)N(CC)CC(=O)NNC(C)=O 899926146 DLEFFQCTMLNRPR-UHFFFAOYSA-N 213.237 -0.812 50 20 BBGD COCCOCC(C)=NNC(=O)c1ncon1 901289609 JDKXOYBZOFYINV-UHFFFAOYSA-N 242.235 -0.162 50 20 BBGD CCCNC(=O)NNC(=O)CC(=O)OC 906425130 JRAMRSLILICDKK-UHFFFAOYSA-N 217.225 -0.710 50 20 BBGD COC(=O)CC(=O)NNC(=O)[C@@H]1CCO[C@H]1C 911502972 OQWPJDGSJMGMSG-NKWVEPMBSA-N 244.247 -0.878 50 20 BBGD CCNC(=O)NNC(=O)/C=C\c1cn(C)cn1 930731604 GKJPKPDJYFVWEN-PLNGDYQASA-N 237.263 -0.216 50 20 BBGD CC(C)(C(N)=O)C(=O)NNC(=O)C1CC1 1320814725 UUNYEYCTCLCSGC-UHFFFAOYSA-N 213.237 -0.945 50 20 BBGD CCn1ccc(NC(=O)NNC(=O)CCO)n1 1328744439 HBKLMTHIOSEQHD-UHFFFAOYSA-N 241.251 -0.562 50 20 BBGD CCn1cc(C(=O)N2CC[C@H](B(O)O)C2)cn1 1351729968 SDZKITHHNOBCHC-VIFPVBQESA-N 237.068 -0.408 50 20 BBGD CC1=NO[C@@](C)(C(=O)NN(C)[C@H](C)CO)C1 1358319999 IAFPRWLJQMMACE-PSASIEDQSA-N 229.280 -0.115 50 20 BBGD Cc1ccoc1CNC(=O)NNC(=O)C(=O)O 1610537197 DAVVKGXYFOQSQU-UHFFFAOYSA-N 241.203 -0.497 50 20 BBGD CN(CC(N)=O)S(=O)(=O)CCCCl 37507301 YJGVXDCNCUMJIW-UHFFFAOYSA-N 228.701 -0.638 50 20 BBGD C#CCOCCC(=O)NNC(=O)c1cccnc1 157786612 RNFBKAVCZKDMSK-UHFFFAOYSA-N 247.254 -0.118 50 20 BBGD O=C(CO)NNC(=O)c1ccc2ncccc2c1 180946082 WQQZDAAPVUQXLI-UHFFFAOYSA-N 245.238 -0.012 50 20 BBGD CC[C@H](C)OCC(=O)NN(C)C(N)=O 182646256 CWYVVERCXYDRGO-LURJTMIESA-N 203.242 -0.157 50 20 BBGD O=C1C[C@@H](NS(=O)(=O)CCCCl)CN1 229357624 MOCNHLWJPHWANS-ZCFIWIBFSA-N 240.712 -0.577 50 20 BBGD CCO/C=C(\C#N)C(=O)N1CCNC(=O)[C@@H]1C 294537226 JFIJOSFHPKKIIB-INTFFVIUSA-N 237.259 -0.223 50 20 BBGD CN(C)C(=O)NNC(=O)CNC(C)(C)C 393604701 CHWKRVVNCGDRSW-UHFFFAOYSA-N 216.285 -0.323 50 20 BBGD C[C@H]1OC(=O)N[C@@H]1C(=O)NNc1ncccn1 497100048 PYCMRYWMEMLLPT-RITPCOANSA-N 237.219 -0.583 50 20 BBGD Cc1cc(CNCc2ccc(B(O)O)o2)n(C)n1 585040645 AAQYYOJXWOJSEM-UHFFFAOYSA-N 249.079 -0.709 50 20 BBGD O=C(NCC1CC1)NNC(=O)[C@H]1C[C@@H]1C(=O)O 739408493 YXXWQOUMGQGOKV-BQBZGAKWSA-N 241.247 -0.553 50 20 BBGD Cc1cc(C(=O)NNC(=O)Cn2cccn2)n[nH]1 768276630 AXVJIJCKPCRWMX-UHFFFAOYSA-N 248.246 -0.624 50 20 BBGD O=C(CO)NNC(=O)[C@H](F)c1ccccc1 769650373 IIYDSHZVRYELNO-SECBINFHSA-N 226.207 -0.163 50 20 BBGD CC(=O)NNC(=O)C1(C)COC(C)(C)OC1 775604369 JZPAISUIKXJUFB-UHFFFAOYSA-N 230.264 -0.057 50 20 BBGD C[C@@H](CO)N(C)NC(=O)c1ccc(C#N)[nH]1 823939997 SSHOKEWPDWOSFP-ZETCQYMHSA-N 222.248 -0.156 50 20 BBGD COC(=O)NNC(=O)[C@H](C)Cc1cnc[nH]1 863854610 UOXLJUUCOBXKTB-ZCFIWIBFSA-N 226.236 -0.025 50 20 BBGD C[C@@H](O)CN(C)NC(=O)COC(F)F 910156843 NBFSRBJMZBXQEE-RXMQYKEDSA-N 212.196 -0.431 50 20 BBGD CNS(=O)(=O)NCCCSC#N 916992444 KDKCPEWJSAOARK-UHFFFAOYSA-N 209.296 -0.355 50 20 BBGD COC(=O)NNC(=O)[C@@H]1CCN(C)C(=O)C1 1116604317 PBHIRPGIMAZJDC-ZCFIWIBFSA-N 229.236 -0.758 50 20 BBGD CCOC1(C(=O)NNC(=O)NC)CCOCC1 1261668885 UDPXKAYLDXPXNF-UHFFFAOYSA-N 245.279 -0.468 50 20 BBGD COC(=O)C(=O)NNC(=O)Nc1ccccn1 1318954798 ZPWCRNMDFWRJKN-UHFFFAOYSA-N 238.203 -0.593 50 20 BBGD O=C(CN1CCCC1=O)NN=Cc1cnc[nH]1 1319705226 GNMALNGWTHUAPE-UHFFFAOYSA-N 235.247 -0.518 50 20 BBGD N#CCCC[C@H](N)C(=O)NNc1ncccn1 1326045438 BQXSVWGIPCQWRO-QMMMGPOBSA-N 234.263 -0.059 50 20 BBGD O=C(O)CC(=O)NNC(=O)NCc1ccco1 1601887879 DBDIULNKILMVPQ-UHFFFAOYSA-N 241.203 -0.415 50 20 BBGD CCOCC(=O)NNC(=O)NC[C@@H](C)C#N 182779850 HASXCTQUYKLSJG-ZETCQYMHSA-N 228.252 -0.487 50 20 BBGD CCCCN(C)S(=O)(=O)NNC(=O)OC 491526824 DAENOSWAZZCLEU-UHFFFAOYSA-N 239.297 -0.176 50 20 BBGD O=C(N[C@H]1C=CCC1)c1cc(B(O)O)ccc1F 585005431 APCIOZSOARTDQK-VIFPVBQESA-N 249.050 -0.046 50 20 BBGD OB(O)c1ccc(CN[C@@H]2CCC[C@H]2O)cc1 585046542 SOJUYRHYTCUFDI-VXGBXAGGSA-N 235.092 -0.631 50 20 BBGD O=C(/C=C/c1ccccc1)NCB(O)O 585056754 ALTNMTLVTFREDT-VOTSOKGWSA-N 205.022 -0.172 50 20 BBGD CCCCCCCS(=O)(=O)NCB(O)O 585059558 RTRJXIKWOKPXPN-UHFFFAOYSA-N 237.130 -0.112 50 20 BBGD CC(C)CC(=O)NNC(=O)NCC[S@](C)=O 735102939 DHTQIKSHWBDVMD-INIZCTEOSA-N 249.336 -0.259 50 20 BBGD CS[C@H](C)C(=O)NNC(=O)N1CCOCC1 745986419 SVOCAPXNPJSSHV-SSDOTTSWSA-N 247.320 -0.189 50 20 BBGD CN(NC(=O)Cc1cn2ccccc2n1)C(N)=O 770439707 VNMUVAIOTKPZLQ-UHFFFAOYSA-N 247.258 -0.082 50 20 BBGD COc1cc(C(=O)NNC(=O)C(C)C)nn1C 771869823 ZCKDYGRNUPQGTF-UHFFFAOYSA-N 240.263 -0.154 50 20 BBGD O=C(CO)NN=C1C(=O)Nc2cc(O)ccc21 776780922 QXVSNVPALUHDHT-UHFFFAOYSA-N 235.199 -0.843 50 20 BBGD CN(NC(=O)CN1CCSC1=O)C(N)=O 778418704 RORQYMGRTPWNMH-UHFFFAOYSA-N 232.265 -0.803 50 20 BBGD CCO[C@@H]1CC(=NNC(=O)CO)[C@H]1SC 807980026 IHQVLGASCGAYFQ-VXNVDRBHSA-N 232.305 -0.009 50 20 BBGD CCN(CCO)NC(=O)c1c(C)cnn1C 823893617 POUDBMVHYGVWBC-UHFFFAOYSA-N 226.280 -0.312 50 20 BBGD CCCN1C[C@@H](C(=O)NN(C)C(N)=O)CC1=O 839717054 KIPXYZHUWDWTMK-ZETCQYMHSA-N 242.279 -0.713 50 20 BBGD CC(=O)NNC(=O)c1ccn(CCN(C)C)n1 847282797 ANZDRZLUASZLQA-UHFFFAOYSA-N 239.279 -0.774 50 20 BBGD Cc1ncc(C(=O)NNC(=O)C2CC2)n1C 899936620 BXAFONPTRNVPCX-UHFFFAOYSA-N 222.248 -0.100 50 20 BBGD COC(=O)NNC(=O)CO[C@H]1CCOC1 1320262576 YAWTZONRJJQHDG-LURJTMIESA-N 218.209 -0.821 50 20 BBGD CCOc1cnc(C(=O)NNC(=O)NC)cn1 1325881892 UFOILQXWRJHRED-UHFFFAOYSA-N 239.235 -0.551 50 20 BBGD C[C@H](O)CN(C)NC(=O)C1=CCOCC1 1350777775 COACYLFQPRBUGR-QMMMGPOBSA-N 214.265 -0.323 50 20 BBGD O=C(NN[C@@H](C(=O)O)C1CC1)c1cnsn1 1601557532 NSUFHZWJRBPMDT-ZCFIWIBFSA-N 242.260 -0.364 50 20 BBGD O=C(CO)NNC(=O)c1coc(C2CCC2)n1 193840518 NDGUVTSZQADOFS-UHFFFAOYSA-N 239.231 -0.305 50 20 BBGD COc1ccccc1C(=O)NCB(O)O 195521808 SQBVSWGOCREVPI-UHFFFAOYSA-N 209.010 -0.563 50 20 BBGD CCO/C=C(\C#N)C(=O)N[C@@H](C)C(=O)NC 490781812 FFSKPIPMPRAGKD-DGUDBNDOSA-N 225.248 -0.319 50 20 BBGD C=CCCCS(=O)(=O)N1CC[C@H](B(O)O)C1 585055990 IABWLNOBKHSQMJ-VIFPVBQESA-N 247.125 -0.169 50 20 BBGD CC(=O)CCC(=O)NNC(=O)c1cnn(C)c1 735524208 JRXQSBQKJKMWOZ-UHFFFAOYSA-N 238.247 -0.450 50 20 BBGD O=C(NNC1=N[C@H]2C=C[C@H]1C2)N1CCOCC1 739410024 NQHUWZWXNDVNGA-IUCAKERBSA-N 236.275 -0.110 50 20 BBGD O=C(CC1OCCO1)NNc1ncc(F)cn1 793743366 AVASCKMFXVBTST-UHFFFAOYSA-N 242.210 -0.178 50 20 BBGD Cc1cc(C(=O)NNC(=O)COC(F)F)n[nH]1 802937930 JEGQHSWNFAAFGF-UHFFFAOYSA-N 248.189 -0.282 50 20 BBGD CN(NC(=O)C1(O)CCOCC1)C1CC1 819649697 ISHMXKFMSBJVCA-UHFFFAOYSA-N 214.265 -0.347 50 20 BBGD C#CCNC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 825534128 GJOZUQOSNBVLCZ-HTQZYQBOSA-N 225.248 -0.625 50 20 BBGD COCCN(C)NC(=O)[C@H]1CCC(=O)C1 843882507 PHDQLKGVZONOHC-QMMMGPOBSA-N 214.265 -0.035 50 20 BBGD CN(NC(=O)[C@H]1CC[C@H]1C(N)=O)C1CC1 848229796 PQGGOTJXACSIBI-SFYZADRCSA-N 211.265 -0.377 50 20 BBGD CO[C@]1(C=NNC(=O)c2cc[nH]n2)CCOC1 853391373 KIMYXXJDRDBVBY-JTQLQIEISA-N 238.247 -0.069 50 20 BBGD C=CCNC(=S)NNC(=O)[C@@H](O)C=C 854188232 ZBKWIGGPMKNBMN-LURJTMIESA-N 215.278 -0.785 50 20 BBGD N#CCCNCc1ccccc1B(O)O 877483021 IQHCQONKDQUAED-UHFFFAOYSA-N 204.038 -0.630 50 20 BBGD O=C(NNC(=O)c1ccc[nH]1)c1csnn1 917937313 DSSGSLOSJMRGCU-UHFFFAOYSA-N 237.244 -0.059 50 20 BBGD CNC(=O)NNC(=O)C[C@H]1CCCOC1 1116879438 AJIQBVMILVSOKO-SSDOTTSWSA-N 215.253 -0.237 50 20 BBGD O=C(NN=c1cc[nH]cc1)c1cnn[nH]1 1320200144 KQXCHGBEVUWJLP-UHFFFAOYSA-N 204.193 -0.622 50 20 BBGD C[C@H](NNC(=O)[C@@H]1CCNC1=O)C(F)(F)F 1329521656 KUKMOFDXJWUTBT-CRCLSJGQSA-N 239.197 -0.306 50 20 BBGD CC(C)(O)C(=O)NNC(=O)c1ccns1 1336449367 GHEQBXMMGKHKEX-UHFFFAOYSA-N 229.261 -0.325 50 20 BBGD CCNC(=O)NNC(=O)c1cn(CC)cn1 1350605102 HEWRMPGZYTZILJ-UHFFFAOYSA-N 225.252 -0.133 50 20 BBGD CN(C)C(=O)NNC(=O)[C@]1(CN)CCCOC1 1578402984 IETRCAXMIDSRLP-JTQLQIEISA-N 244.295 -0.956 50 20 BBGD C[C@@H](O)CN(C)NC(=O)C1(C(=O)O)CC1 1589151747 AWPZBDQTZSPNLF-ZCFIWIBFSA-N 216.237 -0.805 50 20 BBGD CC[C@H](NNC(=O)c1cnccn1)C(=O)O 1595306183 VYWUTAKIUBSQFE-LURJTMIESA-N 224.220 -0.426 50 20 BBGD C#CCN1CCN(S(=O)(=O)CCl)CC1 82512620 KJRMFZHJTDIDMS-UHFFFAOYSA-N 236.724 -0.237 50 20 BBGD CC[C@H](O)CNS(=O)(=O)CCl 230027214 NPGRUCMRFUKKPW-YFKPBYRVSA-N 201.675 -0.127 50 20 BBGD C[C@@]1(CNCc2ccc(B(O)O)cc2)CCOC1 585023267 IYCALFDAMNOLDD-ZDUSSCGKSA-N 249.119 -0.117 50 20 BBGD CC1(C)OCC[C@@H]1NCc1ccc(B(O)O)o1 585043988 WXJQNHCWGJQZGN-VIFPVBQESA-N 239.080 -0.384 50 20 BBGD CN(C)c1ccc(C(=O)NCB(O)O)c(F)c1 585063148 UTTVIENDEZWQGU-UHFFFAOYSA-N 240.043 -0.367 50 20 BBGD CN1CC[C@H](C(=O)NNC(=O)c2ccc[nH]2)C1 729512824 SETYLMQABUUJCE-QMMMGPOBSA-N 236.275 -0.273 50 20 BBGD CNC(=O)c1cccc(C(=O)NNC(C)=O)c1 743284599 DOGBJBMSHUUXNY-UHFFFAOYSA-N 235.243 -0.173 50 20 BBGD CC(C)NC(=O)C(=O)NN=Cc1ccc[nH]1 744812243 ILCFNNZZJYKLRM-UHFFFAOYSA-N 222.248 -0.011 50 20 BBGD CC(C)(F)C(=O)NNC(=O)N1CCOCC1 768949495 WXKWORXIGAJRMI-UHFFFAOYSA-N 233.243 -0.193 50 20 BBGD O=C(CN1CCCNC1=O)NN=c1cc[nH]cc1 780753520 FJGSPFQBNVEGAD-UHFFFAOYSA-N 249.274 -0.638 50 20 BBGD CC(=O)NNC(=O)c1ccc([N+](=O)[O-])n1C 789833764 KOTFJMALEMEQTE-UHFFFAOYSA-N 226.192 -0.286 50 20 BBGD NC(=O)NN=Cc1ccc(-c2nn[nH]n2)s1 822879412 BHTCJHDKLNDMNE-UHFFFAOYSA-N 237.248 -0.070 50 20 BBGD CCO[C@@H]1C[C@@H]1C(=O)NN(C)[C@@H](C)CO 823971416 TVGGWMYKDRGJEG-XHNCKOQMSA-N 216.281 -0.245 50 20 BBGD CC1(C(=O)NNc2ncccn2)CNC1 826726517 SWGVZIRHFJTTSZ-UHFFFAOYSA-N 207.237 -0.471 50 20 BBGD CC(=NNC(N)=O)c1c(C)nc(O)nc1O 839384132 TWILYWTZZWUXNN-UHFFFAOYSA-N 225.208 -0.411 50 20 BBGD COC(=O)C12CC(C(=O)NN(C)C(N)=O)(C1)C2 843845080 QRWHOEWFSNOILE-UHFFFAOYSA-N 241.247 -0.629 50 20 BBGD COC(=O)N(C)NC(=O)C(C)(C)CNC(C)=O 846123305 WKGSOGALJQFWDR-UHFFFAOYSA-N 245.279 -0.122 50 20 BBGD C[C@@H]1CC(=NNC(=O)[C@H]2CCC(=O)N2)[C@@H](C)O1 863149555 BZVAJQBGXFKAQQ-BWZBUEFSSA-N 239.275 -0.066 50 20 BBGD N#CCCNCc1cccc(B(O)O)c1 877483850 QWEYXKZDZIKBSB-UHFFFAOYSA-N 204.038 -0.630 50 20 BBGD C[C@H]1CC(=NNC(=O)c2ncon2)CN1C 901289307 FEMCFAAUOZTSLW-LURJTMIESA-N 223.236 -0.121 50 20 BBGD CC(=O)NNC(=O)c1n[nH]c2c1CCC2 918689399 YYTOQVPWSYVFBK-UHFFFAOYSA-N 208.221 -0.321 50 20 BBGD CN(NC(=O)c1ccc(F)cn1)C(N)=O 1116564673 UKXDHMOLCZAZOY-UHFFFAOYSA-N 212.184 -0.124 50 20 BBGD Cn1ncc(C=NNC(=O)CO)c1Cl 1117742825 ZCOPXWZWFZVLMO-UHFFFAOYSA-N 216.628 -0.484 50 20 BBGD Cc1nc(CC(=O)NNC(=O)CC2CC2)n[nH]1 1118708512 STBDOYMNMSUISD-UHFFFAOYSA-N 237.263 -0.397 50 20 BBGD C[C@@H](C(=O)NN(C)C(N)=O)c1cnn(C)c1 1319893819 ZYENEDCZOMSRTI-ZCFIWIBFSA-N 225.252 -0.435 50 20 BBGD COC(=O)C(=O)NN=C(C)c1cc(C)nn1C 1321828856 HUSFPLSGHQAMDO-UHFFFAOYSA-N 238.247 -0.258 50 20 BBGD C[C@@H](CC(N)=O)C(=O)NNc1ncncc1F 1330458152 BFULSCHODJYDDR-YFKPBYRVSA-N 241.226 -0.430 50 20 BBGD CCO/C=C(\C#N)C(=O)NCCn1cnnc1 1334435923 XWLLBZIKZPUEOZ-RMKNXTFCSA-N 235.247 -0.162 50 20 BBGD CN(NC(=O)C[C@H]1CCCNC1)C(N)=O 1574079504 WGAXLDAUJKPBBX-SSDOTTSWSA-N 214.269 -0.582 50 20 BBGD NCC(=O)NNC(=O)c1ccc2c(n1)CCCN2 1580210705 MHLBBWVEKFBXKJ-UHFFFAOYSA-N 249.274 -0.841 50 20 BBGD C[C@@H](O)CN(C)NC(=O)C12CC(C(=O)O)(C1)C2 1593457489 VYABBPMAGWAIPR-CAZGOSDBSA-N 242.275 -0.415 50 20 BBGD COc1ccccc1C(=O)NNC(=O)CO 11638900 GFBDOBCBQCGYSO-UHFFFAOYSA-N 224.216 -0.552 50 20 BBGD NS(=O)(=O)CCCNC(=O)CCl 45085315 REONXZVKBXKAKA-UHFFFAOYSA-N 214.674 -0.980 50 20 BBGD O=C(NNC(=O)c1ccc(=O)[nH]c1)NC1CC1 49144550 UHZAZODXABOLDO-UHFFFAOYSA-N 236.231 -0.519 50 20 BBGD Cn1cccc1C(=O)NNC(=O)Cn1cccn1 193156059 DZJOESMVDNPERO-UHFFFAOYSA-N 247.258 -0.317 50 20 BBGD COC(=O)NCC(=O)NNc1ncncc1F 495643354 ZMHRQWSKOCCPSX-UHFFFAOYSA-N 243.198 -0.585 50 20 BBGD OB(O)c1ccc(CNCC2[C@@H]3COC[C@@H]23)cc1 585041349 XQCFYNVMYGUVPB-STQMWFEESA-N 247.103 -0.652 50 20 BBGD OB(O)c1ccc(CN[C@@H]2CC[C@H]3C[C@@H]32)o1 585042140 JOCIMSDLGDUQEN-UJNFCWOMSA-N 221.065 -0.153 50 20 BBGD C/C=C\C(=O)NNC(=O)C(=O)N1CCCC1 737822824 LTXFPYCYDRMDQT-DJWKRKHSSA-N 225.248 -0.668 50 20 BBGD CC(C)NC(=O)C(=O)NN=C1CN(C)C[C@H]1C 752162873 IIJHZAIQMYPYKM-MRVPVSSYSA-N 240.307 -0.435 50 20 BBGD C#CCOCCNC(=O)NNC(=O)COCC 753376506 FGYNSDIJYMEKNT-UHFFFAOYSA-N 243.263 -0.997 50 20 BBGD CC(C)(O)C(=O)NNC(=O)CCCC#N 813530675 VKNPEHAGXZHICG-UHFFFAOYSA-N 213.237 -0.401 50 20 BBGD C=C[C@H](O)C(=O)O[C@H](C)C(=O)NNC(=O)CC 814549235 ZPSYHEBZGKMMEJ-RQJHMYQMSA-N 244.247 -0.978 50 20 BBGD COCCN(C)NC(=O)[C@@H](C)n1cncn1 816562477 MXTLEMCTCRNYCL-MRVPVSSYSA-N 227.268 -0.552 50 20 BBGD C[C@@H](CO)N(C)NC(=O)[C@H]1CCOC1 823384124 CHGGFCAOZFCTRR-YUMQZZPRSA-N 202.254 -0.633 50 20 BBGD CCN(CCO)NC(=O)C1(C)COC1 823874890 ZXBCCHYBRRNLTA-UHFFFAOYSA-N 202.254 -0.632 50 20 BBGD C=CCOCC(=O)NN(C)[C@@H](C)CO 823959984 TWMAYZXQEUPOHJ-QMMMGPOBSA-N 202.254 -0.467 50 20 BBGD COC[C@H](OC)C(=O)NNc1cnccn1 832395523 MFGLQEMSMPXRMD-ZETCQYMHSA-N 226.236 -0.419 50 20 BBGD CCc1nocc1C(=O)NNC(=O)C(C)(C)O 832754498 KTNYAMFETVRHPG-UHFFFAOYSA-N 241.247 -0.231 50 20 BBGD CC(C)CC(=O)NNC(=O)N[C@@H]1CCNC1 861705699 OFEDQTGQVFKRAF-MRVPVSSYSA-N 228.296 -0.275 50 20 BBGD C[C@@H](O)CN(C)NC(=O)[C@H]1C[C@H]2CC(=O)[C@@H]1C2 910150761 VUZGKCWFEUMOMD-RGOKHQFPSA-N 240.303 -0.055 50 20 BBGD CNC(=O)NNC(=O)c1cn(C)nc1C1CC1 1117665829 LWVBVCWNTIFZLY-UHFFFAOYSA-N 237.263 -0.129 50 20 BBGD O=C(CC1CC1)NNC(=O)c1cc[n+]([O-])cc1 1324331994 MTSPUMVWHLZSAH-UHFFFAOYSA-N 235.243 -0.119 50 20 BBGD COCCCNC(=O)NNC(=O)c1cnc[nH]1 1328900199 UEORAYFDQKIASW-UHFFFAOYSA-N 241.251 -0.610 50 20 BBGD CC(=NNC(=O)[C@H]1CCC(=O)N1)c1nccn1C 1331823172 ZCDFYINXSIJDGN-MRVPVSSYSA-N 249.274 -0.461 50 20 BBGD CCOC(=O)CC(=O)NNc1cccnn1 1337695872 UMFJAZFKQAZBSD-UHFFFAOYSA-N 224.220 -0.127 50 20 BBGD COC(=O)NNC(=O)c1ccc(C(N)=O)cn1 1338023017 MJDFXKZBKMCMER-UHFFFAOYSA-N 238.203 -0.819 50 20 BBGD COC(=O)N(C)NC(=O)NCc1cccnn1 1352688842 VQKOXZRMVUNNKK-UHFFFAOYSA-N 239.235 -0.111 50 20 BBGD Cc1ncc(CC(=O)NNC(=O)[C@H]2CCN2)o1 1579875592 CTVLNHZZNAVKHG-MRVPVSSYSA-N 238.247 -0.965 50 20 BBGD CNC(=S)N(C)NC(=O)[C@H]1C[C@@H](C(=O)O)C1 1606291967 BPDDHIGTRILYSO-OLQVQODUSA-N 245.304 -0.436 50 20 BBGD CCOc1ccc(C(=O)NNC(=O)CO)cc1 136079899 DAUIYHASTNHXCA-UHFFFAOYSA-N 238.243 -0.161 50 20 BBGD COC(=O)CCCC(=O)NNC(=O)C1CC1 272752055 ONVGOIQDQYFIEX-UHFFFAOYSA-N 228.248 -0.113 50 20 BBGD CC(C)C(=O)NNS(=O)(=O)N(C)C 308154113 QBBBRKNOAVMODR-UHFFFAOYSA-N 209.271 -0.930 50 20 BBGD C[C@@H](NC(=O)c1cccc(B(O)O)c1)C1CC1 584994627 BYLAOLVHNUFOHL-MRVPVSSYSA-N 233.076 -0.105 50 20 BBGD OC[C@@H](CC1CC1)NCc1ccc(B(O)O)o1 585030650 WUHFOEGKNBDQQD-SECBINFHSA-N 239.080 -0.790 50 20 BBGD COCC1(CNCc2ccc(B(O)O)o2)CC1 585046201 SSHIDXYHWHGCMZ-UHFFFAOYSA-N 239.080 -0.524 50 20 BBGD Cc1cccc(C)c1OCC(=O)NCB(O)O 585058545 IGCFMXAUNKHGII-UHFFFAOYSA-N 237.064 -0.190 50 20 BBGD Cc1[nH]nc2ccc(C(=O)NCB(O)O)cc12 585062983 QBXGHNMBJCMDEV-UHFFFAOYSA-N 233.036 -0.387 50 20 BBGD CCOc1cc(N2CC[C@H](B(O)O)C2)ncn1 585073914 QHVKCZSMWBQYCB-QMMMGPOBSA-N 237.068 -0.072 50 20 BBGD CCNC(=O)NNC(=O)Cc1cccnc1 728943626 STQNPYZWFLMBOJ-UHFFFAOYSA-N 222.248 -0.026 50 20 BBGD CC(C)C(=O)NNC(=O)CCCNC(=O)O 736346959 LLRTWZJWOHRHKV-UHFFFAOYSA-N 231.252 -0.162 50 20 BBGD CC(C)CC(=O)NNC(=O)CCNC(=O)O 736401182 DKEBKZLCKQNBMI-UHFFFAOYSA-N 231.252 -0.162 50 20 BBGD NC(=O)NNC(=S)NC[C@H]1CCCCO1 758172525 NTWVLKYBIMRBLP-ZCFIWIBFSA-N 232.309 -0.397 50 20 BBGD COC(=O)Cn1cc(C(C)=NNC(C)=O)nn1 772832024 ZHIQRPJZGUNWFQ-UHFFFAOYSA-N 239.235 -0.689 50 20 BBGD CCNC(=O)N(C)NC(=O)[C@@](C)(O)C1CC1 804541509 DSNQINXSHHUOMN-JTQLQIEISA-N 229.280 -0.160 50 20 BBGD CCOC(=O)[C@@H](CC)C(=O)NN(CC)CCO 823893614 PJQCGAUGTMIROW-VIFPVBQESA-N 246.307 -0.079 50 20 BBGD COC(=O)C1(C(=O)NN(C)[C@H](C)CO)CC1 823934139 CQUQDTVLTGZIMG-SSDOTTSWSA-N 230.264 -0.717 50 20 BBGD CCNC(=O)N(C)NC(=O)C[C@@H]1COCCN1 831944531 BIHJACQZGRWORG-MRVPVSSYSA-N 244.295 -0.943 50 20 BBGD CCC(=O)NNC(=O)[C@@H](C)N1CCC(N)CC1 843344891 FRNQFIPRYISBJH-MRVPVSSYSA-N 242.323 -0.645 50 20 BBGD O=C1CC[C@H](C(=O)NNC(=O)NC2CC2)C1 843775293 URRUJOIRJDBMIH-LURJTMIESA-N 225.248 -0.152 50 20 BBGD CCNC(=O)N(C)NC(=O)[C@@H]1CCO[C@H]1CN 852884819 OXYOMRVFJHGKKU-SFYZADRCSA-N 244.295 -0.957 50 20 BBGD CNC(=S)N(C)NC(=O)[C@@H](C)OC 854926336 WPISFQMTMLIYGL-RXMQYKEDSA-N 205.283 -0.511 50 20 BBGD CC(C)(C)C(=O)NNC(=O)[C@H]1CCCNC1=O 864889004 LSTMEKBPTOHEPA-ZETCQYMHSA-N 241.291 -0.294 50 20 BBGD Cc1cc(=NNC(=O)[C@@H]2C[C@@H]2C(N)=O)cc[nH]1 912982187 UMYGYOPEXKQBAT-DTWKUNHWSA-N 234.259 -0.624 50 20 BBGD CC(C)NC(=S)NNC(=O)[C@@H]1CCC(=O)N1 913445821 UFWGIRASBKEZON-LURJTMIESA-N 244.320 -0.831 50 20 BBGD CCO[C@@H]1C[C@@H]1C(=O)NNC(=O)C1CC1 916093404 QGUGCSCQWLAKMT-JGVFFNPUSA-N 212.249 -0.031 50 20 BBGD CCn1cc(C(=O)NNC(=O)C(C)C)nn1 929287988 MZAHSMHOTDHFMC-UHFFFAOYSA-N 225.252 -0.285 50 20 BBGD CNC(=O)NNC(=O)c1cccnc1C 1116009515 GVFQBIVIIKISTC-UHFFFAOYSA-N 208.221 -0.036 50 20 BBGD CCO/C=C(/C#N)C(=O)NCCS(C)(=O)=O 1253374181 GJIWZIUVJIZSLG-FPLPWBNLSA-N 246.288 -0.409 50 20 BBGD COC(=O)NNC(=O)[C@@H]1CCn2cncc2C1 1320261263 QSSXUYSQNNNXLZ-SSDOTTSWSA-N 238.247 -0.167 50 20 BBGD CCNC(=O)NNC(=O)c1coc(C(N)=O)c1 1320279864 VUOKCPHCVPHFCI-UHFFFAOYSA-N 240.219 -0.658 50 20 BBGD Cn1cc2c(n1)CCCC2=NNC(=O)C(N)=O 1321099298 GJYZSUTUVOUIHD-UHFFFAOYSA-N 235.247 -0.938 50 20 BBGD Cc1c(C(=O)N2CC[C@@H](B(O)O)C2)cnn1C 1329216569 YTTDCYSDTMRGGL-MRVPVSSYSA-N 237.068 -0.583 50 20 BBGD COC(=O)N(C)NC(=O)NCC1CNC1 1578822429 DKVVTUYOGSWQET-UHFFFAOYSA-N 216.241 -0.882 50 20 BBGD C[C@@H](CC(=O)O)C(=O)NNC(=O)c1cn[nH]c1 1604094722 GMMMVOJRTKETIM-YFKPBYRVSA-N 240.219 -0.719 50 20 BBGD C[C@H]1C[C@H]1C(=O)Nc1cccc(B(O)O)c1 404993736 WHRCYAMSZMDLKN-OIBJUYFYSA-N 219.049 -0.039 50 20 BBGD COC(=O)N(C)NS(=O)(=O)NC(C)C 496300591 DHFPQKWJAGTUAV-UHFFFAOYSA-N 225.270 -0.568 50 20 BBGD CN(CC(=O)Nc1cccc(B(O)O)c1)C1CC1 584912079 KZHVMXVMOXNEEX-UHFFFAOYSA-N 248.091 -0.601 50 20 BBGD CCc1nc(C)c(C(=O)NCB(O)O)s1 585061670 CVDACDDZOCCQQF-UHFFFAOYSA-N 228.082 -0.244 50 20 BBGD O=C(NNC(=O)c1cnc[nH]1)c1ccncc1 736543597 DVVDIYYZUSPHLB-UHFFFAOYSA-N 231.215 -0.121 50 20 BBGD COCCOCCC(=O)NNc1cccnn1 736695118 SUVVJHPUGCOWCM-UHFFFAOYSA-N 240.263 -0.027 50 20 BBGD CC(C)(C)C(=O)NNC(=O)CN1CCOCC1 744384065 HKIZHVGUPAUJDQ-UHFFFAOYSA-N 243.307 -0.488 50 20 BBGD Cc1nc(CCC(=O)NNC(=O)CO)cs1 753445356 GWZPFZIJWVURNB-UHFFFAOYSA-N 243.288 -0.476 50 20 BBGD Cn1cc(C=NNC(=O)C(C)(C)O)cn1 785463122 LMTAVIVDJCEXGA-UHFFFAOYSA-N 210.237 -0.359 50 20 BBGD CO[C@](C)(C=NNC(=O)C(N)=O)C1CC1 814696494 HUISCQYPEBSBBG-SECBINFHSA-N 213.237 -0.611 50 20 BBGD COc1ccnc(NNC(=O)Cc2ncc[nH]2)n1 816859582 FFOKPRZDYSDJTK-UHFFFAOYSA-N 248.246 -0.106 50 20 BBGD CCO[C@H]1C[C@@H]1C(=O)NN(CC)CCO 823853021 XGHKRTGMZZREEV-IUCAKERBSA-N 216.281 -0.243 50 20 BBGD Cc1ccnn1CC(=O)NN(C)[C@H](C)CO 823908539 XWLPPZZJUHTZTF-SECBINFHSA-N 226.280 -0.465 50 20 BBGD COCC(=O)NNc1ccc(-c2nn[nH]n2)cc1 826147922 QSIPWIQVUFMWKM-UHFFFAOYSA-N 248.246 -0.044 50 20 BBGD CCNC(=O)N(C)NC(=O)[C@H]1C[C@]12CCNC2 831944669 FNORVJJBHHUILP-KCJUWKMLSA-N 240.307 -0.322 50 20 BBGD CC(C)(C)C(=O)NNC(=O)[C@H]1C[C@@H](O)C1 874060281 DVMZQGGNYOLMCF-KNVOCYPGSA-N 214.265 -0.049 50 20 BBGD C[C@H]1COC[C@@H]1NCc1ccccc1B(O)O 896732254 DBUQHRVYMSPBBB-CABZTGNLSA-N 235.092 -0.509 50 20 BBGD CC(=O)NNC(=O)c1ccc(NC(N)=O)cc1 916606557 RSBIPQBUZKPMGI-UHFFFAOYSA-N 236.231 -0.042 50 20 BBGD Cn1ncc(C=NNC(=O)CCO)c1Cl 1117742858 XGOAACYBBBREMW-UHFFFAOYSA-N 230.655 -0.094 50 20 BBGD CC(=NNC(=O)CCO)c1cn(C)c(C)n1 1321224323 XGBIWYSZKJTPMM-UHFFFAOYSA-N 224.264 -0.049 50 20 BBGD C[C@H](C(=O)NNC(=O)C1CC1)[C@H]1CCC(=O)N1 1329139299 BATJFCBLPYHSDB-POYBYMJQSA-N 239.275 -0.542 50 20 BBGD Cn1nncc1NNC(=O)[C@@H]1C[C@]12CCOC2 1331130753 HJVQOADSJWBGHI-XVKPBYJWSA-N 237.263 -0.315 50 20 BBGD COC(=O)NNC(=O)[C@@H]1C[C@H](N)C1(C)C 1578825112 UDMSOBQSGYPGMX-WDSKDSINSA-N 215.253 -0.253 50 20 BBGD N[C@@H]1C[C@@H]1C(=O)NNC(=O)c1ccccc1 1580398671 OACUGCNAMFJXPP-DTWKUNHWSA-N 219.244 -0.205 50 20 BBGD Cc1nnsc1C=NNC(=O)NCC(=O)O 1600802607 KGDWXSKLIILFHT-UHFFFAOYSA-N 243.248 -0.436 50 20 BBGD N#Cc1ccc(NC(=O)NNC(=O)C(=O)O)cc1 1601107353 KPTHEYNWJHYNFL-UHFFFAOYSA-N 248.198 -0.204 50 20 BBGD COC[C@@H](NC(=O)NNC(=O)C(=O)O)C(C)C 1606808522 YHWLKGWMUTXWBU-ZCFIWIBFSA-N 247.251 -0.928 50 20 BBGD Cn1cccc1C(=O)NNC(=O)[C@@H]1CCCO1 61528496 RHZUEGBUYDIHGF-VIFPVBQESA-N 237.259 -0.035 50 20 BBGD COC(=O)N(C)NC(=O)CNCC(F)(F)F 286365260 NHFWVRXIVZCDNM-UHFFFAOYSA-N 243.185 -0.132 50 20 BBGD CNS(=O)(=O)N1CC=C(C#N)CC1 306157900 MGLUMLPHXMOTLU-UHFFFAOYSA-N 201.251 -0.394 50 20 BBGD CN(C)c1nccc(NNC(=O)C(=O)O)n1 309746556 JIEFTCABMCLABU-UHFFFAOYSA-N 225.208 -0.930 50 20 BBGD CN(CCC#N)C(=O)c1ccc(B(O)O)cc1 584934044 OAXDEJJGERBZSV-UHFFFAOYSA-N 232.048 -0.648 50 20 BBGD CCOc1ccccc1C(=O)NCB(O)O 585055649 GAFNHGNVANTHSG-UHFFFAOYSA-N 223.037 -0.173 50 20 BBGD Cc1cccc(C(=O)NCB(O)O)c1O 585062377 GVGXOXMKQQROAK-UHFFFAOYSA-N 209.010 -0.558 50 20 BBGD CCOc1nccnc1N1CC[C@@H](B(O)O)C1 585078756 LBIBYOXUFQJDHJ-MRVPVSSYSA-N 237.068 -0.072 50 20 BBGD CCCNC(=O)CCC(=O)NNC(=O)NCC 732063578 VRZXYAYMCQVWSJ-UHFFFAOYSA-N 244.295 -0.357 50 20 BBGD COC[C@H](NC=C(C#N)C#N)C(=O)OC 777869921 QJVXQMXMTGBHOE-QMMMGPOBSA-N 209.205 -0.305 50 20 BBGD COC(=O)c1cc(C(=O)NN(C)C(N)=O)c[nH]1 815900794 QTEHEQGKLHDJLQ-UHFFFAOYSA-N 240.219 -0.543 50 20 BBGD CN1CC[C@H](C(=O)NN(C)C2CC2)CC1=O 819645764 RZTAKBRMLCHNJR-QMMMGPOBSA-N 225.292 -0.020 50 20 BBGD Cc1nc(CC(=O)NNC(=O)C(C)(C)C)n[nH]1 822253004 QTCCGWOGXLAIIM-UHFFFAOYSA-N 239.279 -0.151 50 20 BBGD COCCN(C)NC(=O)c1ncccn1 848377211 CJCPAWRWIXASHV-UHFFFAOYSA-N 210.237 -0.300 50 20 BBGD O=C(NNC(=O)[C@H]1C[C@@H](O)C1)C1CCC1 874455588 LSYHOUNHDRFBJY-OCAPTIKFSA-N 212.249 -0.295 50 20 BBGD CCNC(=O)NNC(=O)[C@@H](C)n1cncn1 1116433190 UCKSEAKAFQYEAY-ZCFIWIBFSA-N 226.240 -0.811 50 20 BBGD CC[C@@H]1C[C@H]1CNC(=O)NNC(=O)C(=O)OC 1324697000 XYNYDGWGLVTXGQ-RQJHMYQMSA-N 243.263 -0.464 50 20 BBGD CO[C@@H]1CCC[C@@H]1C(=O)NN(C)C(N)=O 1346948782 WQXQDVJCELMOBI-NKWVEPMBSA-N 215.253 -0.157 50 20 BBGD COCC[C@@H](N)C(=O)NN[C@@H](C)C(F)(F)F 1573978404 RZBJRYCKYYOGOY-NTSWFWBYSA-N 243.229 -0.078 50 20 BBGD C[C@@H](O)CN(C)NC(=O)[C@H]1CCCN1 1574074421 UDSWUCBAISFUGW-HTQZYQBOSA-N 201.270 -0.918 50 20 BBGD Cc1cc(NNC(=O)[C@H]2CC23CNC3)nc(N)n1 1579635275 CKPWEEDSYLAGPT-SSDOTTSWSA-N 248.290 -0.580 50 20 BBGD COC(=O)N(C)NC(=O)[C@@H]1CC[C@@H]1C(=O)O 1593856087 XKKZZDHHMNAMOA-RITPCOANSA-N 230.220 -0.173 50 20 BBGD O=C(NNC(=O)C1CC1)c1c[nH]c(C(=O)O)c1 1601553695 QNNICZZJPGVXKX-UHFFFAOYSA-N 237.215 -0.116 50 20 BBGD CC[C@@H]1CN([C@H](CC)C(=O)NN)CCO1 251883379 VKDJBYPZYYKZEG-RKDXNWHRSA-N 215.297 -0.134 50 20 BBGD CC(=O)NNC(=O)c1csc(NC(C)=O)n1 299232666 RNTTXPNLYQTGMZ-UHFFFAOYSA-N 242.260 -0.118 50 20 BBGD O=C(CC1(O)CCC1)Nc1cccc(B(O)O)c1 584910357 AWEXUFGCQGXNJB-UHFFFAOYSA-N 249.075 -0.390 50 20 BBGD C[C@@H](CC(=O)NCB(O)O)c1ccco1 585063271 VUVAWJJRMDTEPQ-ZETCQYMHSA-N 211.026 -0.099 50 20 BBGD CC(C)C(=O)NNS(=O)(=O)c1ccn(C)n1 727352001 UNDBMEZAHZPKRZ-UHFFFAOYSA-N 246.292 -0.614 50 20 BBGD C#CCN1CCC[C@H]1C(=O)NNC(C)=O 730272460 OLXQQVYONYOIGN-VIFPVBQESA-N 209.249 -0.749 50 20 BBGD NNC(=O)CNS(=O)(=O)c1ccccc1F 731450775 KBOHRAQZBLXHGY-UHFFFAOYSA-N 247.251 -0.906 50 20 BBGD CC[C@H](C)C(=O)NNS(=O)(=O)CCOC 737757475 ZBLWJVRRVGDGJM-ZETCQYMHSA-N 238.309 -0.371 50 20 BBGD O=C(NN=Cc1cc[nH]n1)N1CCOCC1 755674504 YPMZYKLKNWKAHT-UHFFFAOYSA-N 223.236 -0.215 50 20 BBGD CC[C@@H]1CC[C@@H](C(=O)NNC(=O)C(C)(C)O)O1 768247129 LMLSVEPFGFJOJY-SFYZADRCSA-N 244.291 -0.138 50 20 BBGD CN(NC(=O)[C@@]1(C)CCNC1=O)C1CC1 823789548 JGSBNGLHLYBAGF-JTQLQIEISA-N 211.265 -0.362 50 20 BBGD CO[C@H](C)CC(=O)NN(C)[C@H](C)CO 823964834 FANIRHLRCSEBOZ-HTQZYQBOSA-N 204.270 -0.245 50 20 BBGD CCNC(=O)N(C)NC(=O)CO[C@H]1CCOC1 1116610944 NDJAUCBCSNLWCB-QMMMGPOBSA-N 245.279 -0.516 50 20 BBGD C[C@H](CO)N(C)NC(=O)c1cnc2[nH]ncc2c1 1123903707 VLQIDLTZGVBIBW-SSDOTTSWSA-N 249.274 -0.085 50 20 BBGD COC(=O)C(=O)NN=C1CCOC1(C)C 1324924821 FGVRQYLRSDBFGP-UHFFFAOYSA-N 214.221 -0.170 50 20 BBGD Cc1n[nH]c(C)c1C=NNC(=O)[C@@H]1CCC(=O)N1 1331823265 ZQIYCAPDQOYEHO-VIFPVBQESA-N 249.274 -0.245 50 20 BBGD CO[C@H]1CCC[C@H]1C(=O)NNC(C)=O 1336748554 HILNZOLCUSHNBN-SFYZADRCSA-N 200.238 -0.031 50 20 BBGD Cn1cnc(/C=C(/C#N)S(N)(=O)=O)c1 1344636933 GXOQYDSOERHPLT-UQCOIBPSSA-N 212.234 -0.427 50 20 BBGD COc1cn(C)nc1C(C)=NNC(=O)C(=O)O 1599723097 CVLBEZFEMBMRHJ-UHFFFAOYSA-N 240.219 -0.647 50 20 BBGD C=CC[C@H](NNC(=O)COCC)C(=O)O 1602841718 DTFACTBXQFMXRE-ZETCQYMHSA-N 216.237 -0.327 50 20 BBGD CC[C@@H](C(=O)O)C(=O)NNC(=O)[C@H]1CCCO1 1609886350 JGUWJIBEMHVLMS-RNFRBKRXSA-N 244.247 -0.576 50 20 BBGD CC(C)=CC(=O)NNC(=O)C(=O)N1CCCC1 132294599 MGVHWWSJXLAMER-UHFFFAOYSA-N 239.275 -0.278 50 20 BBGD CCn1nncc1C(=O)NNC(=O)CC1CC1 294048388 FOFIRLDXYHPFFJ-UHFFFAOYSA-N 237.263 -0.141 50 20 BBGD CC(C)(O)C(=O)NNC(=O)C(C)(F)F 295039261 YGEBFKWSLHGSKY-UHFFFAOYSA-N 210.180 -0.440 50 20 BBGD O=C(N[C@@H]1CCC[C@H]1O)c1cccc(B(O)O)c1 585000027 ZCGQWVZTFJLYGV-GHMZBOCLSA-N 249.075 -0.990 50 20 BBGD OB(O)c1ccccc1CNCCn1ccnc1 585014565 VXWYKKGPCSZHGU-UHFFFAOYSA-N 245.091 -0.647 50 20 BBGD C[C@@H]1CCCc2ncc(C(=O)NCB(O)O)n21 585063062 RWNCQXMSJVDZJW-SSDOTTSWSA-N 237.068 -0.478 50 20 BBGD COC(=O)NNC(=O)Nc1nn(C)cc1C#N 750612992 ARBBZVHMKXGZRP-UHFFFAOYSA-N 238.207 -0.316 50 20 BBGD COCCCNC(=O)NN=C1CCN(C)C1=O 761799320 HFKRLPBHZQYJRD-UHFFFAOYSA-N 242.279 -0.460 50 20 BBGD CCNC(=O)N(C)NC(=O)c1cnc[nH]1 780708218 HFGRAEDWODHNEX-UHFFFAOYSA-N 211.225 -0.284 50 20 BBGD CCC(=O)N[C@H](C)C(=O)NN=c1cc[nH]cc1 780761029 LNTSHIYJCYYBKF-MRVPVSSYSA-N 236.275 -0.139 50 20 BBGD CN(C)C(=O)NNC(=O)[C@@H]1[C@H]2CCCO[C@H]21 780916929 BVBVDTHXKUQTKJ-BWZBUEFSSA-N 227.264 -0.286 50 20 BBGD CC(C)(C(=O)NNC(=O)CO)C1CC1 807196655 ZVIHZFMGIWPGPO-UHFFFAOYSA-N 200.238 -0.438 50 20 BBGD CCCCNC(=O)NNC(=O)[C@H]1CC(=O)N1 823763630 YRWAGBAZITVASV-ZCFIWIBFSA-N 228.252 -0.995 50 20 BBGD CCN(CCO)NC(=O)[C@H]1CCC(=O)C1 823893649 RHWFZWMGSZVPBH-QMMMGPOBSA-N 214.265 -0.299 50 20 BBGD CCONC(=O)NNC(=O)[C@@H]1CCO[C@H]1C 825559298 YNVXUXRFGGASHP-NKWVEPMBSA-N 231.252 -0.307 50 20 BBGD CN(NC(=O)c1c(Cl)cnn1C)C(N)=O 831523155 AEQLOUGZUYNGHU-UHFFFAOYSA-N 231.643 -0.271 50 20 BBGD COCCOCC(=O)NNC(=O)C1CSC1 869903277 PJDFOGAXPRCBKJ-UHFFFAOYSA-N 248.304 -0.840 50 20 BBGD CCn1cc(Cl)cc1C(=O)NNC(=O)CO 897606277 NEUGGHZIXWQSCJ-UHFFFAOYSA-N 245.666 -0.085 50 20 BBGD CC[C@@H](O)[C@@H](C)C(=O)NN(C)C(N)=O 901279511 RUXHEGOPLPDHPP-PHDIDXHHSA-N 203.242 -0.565 50 20 BBGD CC[C@H](O)[C@@H](C)C(=O)NN(C)[C@@H](C)CO 911444496 FQDAZLHGGNFOBD-YIZRAAEISA-N 218.297 -0.263 50 20 BBGD CCNC(=O)N(C)NC(=O)c1cn(CC)nn1 935290928 GRDLEHNWVWWPPP-UHFFFAOYSA-N 240.267 -0.396 50 20 BBGD Cc1nc[nH]c1C=NNC(=O)[C@@H]1CCC(=O)N1 1118890042 ZFBKHFILXIIMAD-ZETCQYMHSA-N 235.247 -0.553 50 20 BBGD O=C([C@H]1CCOC1)N1CC[C@H](B(O)O)C1 1261844124 CGBKPWIZCVOOHW-YUMQZZPRSA-N 213.042 -0.902 50 20 BBGD COC(=O)NNC(=O)[C@H](C)n1ccnc1 1325554632 LLTRLMJDKZDCGR-LURJTMIESA-N 212.209 -0.169 50 20 BBGD Cc1cnn(C)c1C=NNC(=O)C(=O)O 1600635063 CJSPMSYNCCIJQD-UHFFFAOYSA-N 210.193 -0.737 50 20 BBGD O=C(O)CCC(=O)NNc1cccnn1 1611416717 ZRTZGAWCCUUIGK-UHFFFAOYSA-N 210.193 -0.216 50 20 BBGD NC(=O)CN1CCCN(C(=O)CCl)CC1 37654294 IBVMMXAUFWHKMC-UHFFFAOYSA-N 233.699 -0.755 50 20 BBGD CC(C)CC(=O)NNC(=O)CCn1cncn1 48412688 XTSFSDAPPJVGKV-UHFFFAOYSA-N 239.279 -0.138 50 20 BBGD CCNC(=O)NNC(=O)CCNC(=O)OCC 49164932 STCWWFKEDWRQBP-UHFFFAOYSA-N 246.267 -0.527 50 20 BBGD Cn1cc(C(=O)NNC(=O)C2CCC2)cn1 171875074 DTQQMUCAOSSUHZ-UHFFFAOYSA-N 222.248 -0.019 50 20 BBGD COC(=O)N(C)NC(=O)[C@@H](O)c1cnn(C)c1 495624333 DYJNMBYLNNBHNF-ZETCQYMHSA-N 242.235 -0.817 50 20 BBGD O=C(NCB(O)O)NC1CCCCC1 585057219 PKWHAEPTYPIQNA-UHFFFAOYSA-N 200.047 -0.370 50 20 BBGD O=C(NCB(O)O)[C@@H]1[C@H]2[C@H]3CC[C@@H](C3)[C@H]21 585059784 BFZIUIUEQXRHQY-OAHBRNHXSA-N 209.054 -0.593 50 20 BBGD O=C([C@@H]1CCCS1)N1CC[C@H](B(O)O)C1 585066117 LHUTXKXSKDFPRP-YUMQZZPRSA-N 229.110 -0.043 50 20 BBGD O=C(NNC(=O)C1CCC1)C(=O)N1CCCC1 748249166 CQEKOGMKTLZVBE-UHFFFAOYSA-N 239.275 -0.444 50 20 BBGD Cc1nn(C)c2ncc(C=NNC(=O)CO)cc12 776783518 OUKIUEDFTMKHJZ-UHFFFAOYSA-N 247.258 -0.281 50 20 BBGD COCCN(C)NC(=O)[C@H]1CCC(=O)N1C 816562190 CAXSSHWJQBEVOC-MRVPVSSYSA-N 229.280 -0.783 50 20 BBGD CN(NC(=O)c1ccc(C(N)=O)cn1)C1CC1 819645646 BKJAQRVQBAVUAN-UHFFFAOYSA-N 234.259 -0.081 50 20 BBGD CCN(CCO)NC(=O)[C@H](O)CCSC 823869533 LHPVDARLXKBEER-MRVPVSSYSA-N 236.337 -0.554 50 20 BBGD C[C@H](CO)N(C)NC(=O)[C@@H](O)C1CC1 823922263 JLEUNLXADOKPIQ-SVRRBLITSA-N 202.254 -0.899 50 20 BBGD CCCNC(=O)CCC(=O)NN(C)[C@H](C)CO 823959917 SDUDKWXSHOZCDZ-SECBINFHSA-N 245.323 -0.363 50 20 BBGD CNC(=S)N(C)NC(=O)COCCCOC 854922423 JUTLFKPHHYUVIZ-UHFFFAOYSA-N 249.336 -0.493 50 20 BBGD COCCOCC(=O)NNc1ccncn1 857520564 CXMARZDKIGIFEA-UHFFFAOYSA-N 226.236 -0.417 50 20 BBGD C#CCCCC(=O)NNC(=O)[C@@]1(O)CCOC1 887150805 XZYUICJZCGFVDO-LLVKDONJSA-N 240.259 -0.911 50 20 BBGD C[C@@H]1CC(=NNC(=O)c2ncon2)CO1 901284824 AUGXTYSAYSQLNO-RXMQYKEDSA-N 210.193 -0.036 50 20 BBGD CCC(=O)N1CCC[C@H](C(=O)NNC(C)=O)C1 920429960 IOYRJNBPRDJCQD-VIFPVBQESA-N 241.291 -0.198 50 20 BBGD CNC(=O)NCC(=O)N1CC=C(C#N)CC1 1323876718 ZPWCDMQCFDXTQH-UHFFFAOYSA-N 222.248 -0.402 50 20 BBGD O=C(C[C@@H]1CCC(=O)N1)NNC(=O)NC1CC1 1327861695 FEBVIFFVBPCUTH-ZETCQYMHSA-N 240.263 -0.852 50 20 BBGD Cc1cc(NC(=O)CSCC(=O)NN)no1 1329253726 RMZJDBKJJMTECW-UHFFFAOYSA-N 244.276 -0.355 50 20 BBGD O=C(NNc1ncncc1F)[C@@H]1NC[C@@H]2C[C@@H]21 1580743058 OMQYLXUVBCVZRA-VMHSAVOQSA-N 237.238 -0.333 50 20 BBGD CO[C@@H](C(=O)O)C(=O)NNC(=O)CC1CC1 1593908848 MVZIMAFMMBRQBD-SSDOTTSWSA-N 230.220 -0.967 50 20 BBGD CC(C)NC(=O)C(=O)NNC(=O)CCC1CC1 265236555 PGNDDNLFJJLBBI-UHFFFAOYSA-N 241.291 -0.151 50 20 BBGD C[C@H](C(=O)NN(C)C(N)=O)n1cccn1 271275597 JTGNSLSSBUKNPG-ZCFIWIBFSA-N 211.225 -0.514 50 20 BBGD O=C(NNC(=O)C1(O)CCC1)c1ccccn1 273316112 YFDVMRDJERGEQD-UHFFFAOYSA-N 235.243 -0.242 50 20 BBGD COC(=O)N(C)NC(=O)[C@@H]1CC(=O)N(C)C1 286466121 UELYPYYVVLIJNZ-ZCFIWIBFSA-N 229.236 -0.806 50 20 BBGD COCCN(C)NC(=O)c1cnsn1 288436364 NSSBKTLSGFYPPS-UHFFFAOYSA-N 216.266 -0.239 50 20 BBGD COC(=O)NNC(=O)C[C@](C)(O)C1CC1 495325924 CRTSTPKHNMKSIL-VIFPVBQESA-N 216.237 -0.075 50 20 BBGD C[C@H]1CN(C(=O)c2cccc(B(O)O)c2)CCO1 584926614 VHLMRSZIIRLRCM-VIFPVBQESA-N 249.075 -0.773 50 20 BBGD C[C@]1(NC(=O)c2cccc(B(O)O)c2)CCOC1 584966619 GNDVKXSJUOSTKJ-LBPRGKRZSA-N 249.075 -0.725 50 20 BBGD CCO[C@H]1C[C@H]1NC(=O)c1ccc(B(O)O)cc1 584983645 YNFMGPWKHRPQQU-MNOVXSKESA-N 249.075 -0.726 50 20 BBGD CC(C)C[C@@H](CO)NCc1ccc(B(O)O)o1 585018909 WKSUKIKDOYYBBQ-VIFPVBQESA-N 241.096 -0.544 50 20 BBGD Cc1noc2ncnc(N3CC[C@@H](B(O)O)C3)c12 585072853 FYOPXUHLBCWTCV-SSDOTTSWSA-N 248.051 -0.021 50 20 BBGD CNC(=O)C1(C(=O)NNC(=O)C2CCC2)CC1 732141511 MAIRNIJHABCWFV-UHFFFAOYSA-N 239.275 -0.540 50 20 BBGD Cc1cc(NNC(=O)c2cnn[nH]2)nc(C)n1 736711706 FVTCBPXCZCQPBX-UHFFFAOYSA-N 233.235 -0.032 50 20 BBGD CN1CCC(=NNC(=O)c2cnn(C)c2)C1=O 761817836 VORREPBLTYNITB-UHFFFAOYSA-N 235.247 -0.632 50 20 BBGD CS(=O)(=O)CC(=O)NNc1ccnc(F)c1 781363810 KZTLYWADRRQPSA-UHFFFAOYSA-N 247.251 -0.292 50 20 BBGD Cn1cc(C=NNC(=O)Cc2cc[nH]n2)c(O)n1 814957431 FYNSVKRFKYGTQK-UHFFFAOYSA-N 248.246 -0.458 50 20 BBGD CN(NC(=O)c1ccc2nnnn2c1)C1CC1 819648709 OVKKSPDXTZCEKN-UHFFFAOYSA-N 232.247 -0.137 50 20 BBGD C[C@H]1C(=O)N(C)CCN1S(=O)(=O)CCl 831165521 LLXOIMQICQAPQD-LURJTMIESA-N 240.712 -0.325 50 20 BBGD CCCN1C[C@H](C(=O)NNC(C)=O)CC1=O 839463562 DSIRTXNJIWJTIL-MRVPVSSYSA-N 227.264 -0.588 50 20 BBGD CCCNC(=O)NN=Cc1ncnn1C 842524204 AIIAMJRZLSEVCD-UHFFFAOYSA-N 210.241 -0.142 50 20 BBGD C[C@H](CN)N(C)S(=O)(=O)CBr 850583014 XOLYDNHQCKEISZ-RXMQYKEDSA-N 245.142 -0.052 50 20 BBGD COC(=O)[C@@H]1C[C@@H]1C(=O)NN(C)C[C@H](C)O 910165876 PMDFMKWRZBHIDY-BIIVOSGPSA-N 230.264 -0.861 50 20 BBGD CCOC(=O)NNS(=O)(=O)c1cn(C)cn1 1115928072 LRKIMDCITQJVNB-UHFFFAOYSA-N 248.264 -0.641 50 20 BBGD Cc1onc(CC(=O)NN(C)C(N)=O)c1C#N 1116502255 ONKGYDYWQYBJJX-UHFFFAOYSA-N 237.219 -0.561 50 20 BBGD CC#CC(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C 1117717269 FQYPDXUUNJZVLE-VIFPVBQESA-N 244.316 -0.498 50 20 BBGD C[C@@H]1COC(=O)C1=NNC(=O)c1cccnn1 1119302486 QLUFEYTXUATSJW-ZCFIWIBFSA-N 234.215 -0.245 50 20 BBGD C#CCCCC(=O)NNC(=O)c1[nH]nnc1C 1119911894 SGIMXTDSLVEMMF-UHFFFAOYSA-N 235.247 -0.322 50 20 BBGD CNC(=O)NNC(=O)[C@H]1CCc2nccn2C1 1261666951 HHGSYLZHLYREDE-ZETCQYMHSA-N 237.263 -0.594 50 20 BBGD CCN(CCO)NC(=O)[C@]1(C)CCOC1 1261910508 BBVGLXZDYYDZAN-SNVBAGLBSA-N 216.281 -0.242 50 20 BBGD N#CCC(=O)NNC(=O)Cc1cccnc1 1338268070 PMRAEBDQLBCNOL-UHFFFAOYSA-N 218.216 -0.315 50 20 BBGD COCC[C@H](N)C(=O)NNC(=O)C1CCC1 1574082696 YZXWEOJPPISPBJ-QMMMGPOBSA-N 229.280 -0.702 50 20 BBGD Cc1cc(NNC(=O)C2=CCNCC2)nc(N)n1 1579635655 JVAXYEYEOATACM-UHFFFAOYSA-N 248.290 -0.270 50 20 BBGD Cn1ccc(NNC(=O)[C@H]2CC[C@H]2C(=O)O)n1 1608128259 XHSCIRBMSNHCFQ-NKWVEPMBSA-N 238.247 -0.026 50 20 BBGD CCC(=O)NNC(=O)[C@@H](C)N(C)CC(C)(C)O 114728538 VIVFZDJGKPYBCC-MRVPVSSYSA-N 245.323 -0.365 50 20 BBGD C[C@H]1C[C@@H]1C(=O)NNC(=O)c1cnn(C)c1 170969127 KXAYNHQICYFLLL-XPUUQOCRSA-N 222.248 -0.163 50 20 BBGD C#CCO[C@H](C)C(=O)NNC(=O)c1ccccn1 294279085 SWYMOXDLUVFBJH-SECBINFHSA-N 247.254 -0.119 50 20 BBGD C#CCNC(=O)NNC(=O)Cc1cccnc1 490614830 BNNDFVCKUHBIDP-UHFFFAOYSA-N 232.243 -0.412 50 20 BBGD CCO[C@@H](C)CNCc1ccccc1B(O)O 585032612 JZHMJKBVHMTCOA-JTQLQIEISA-N 237.108 -0.119 50 20 BBGD O=S(=O)(CCl)N1C[C@@H](CO)[C@@H](CO)C1 705325067 UUBDKYIIWNTVFY-KNVOCYPGSA-N 243.712 -0.955 50 20 BBGD O=C(NNC(=O)c1ccccn1)c1cncnc1 760797654 CRGJHECWMVDKOL-UHFFFAOYSA-N 243.226 -0.054 50 20 BBGD O=C(CO)NNC(=O)C1Cc2ccccc2C1 762899393 LJQFXKRLBKJJQP-UHFFFAOYSA-N 234.255 -0.459 50 20 BBGD CN(NC(=O)/C=C/c1cnn(C)c1)C(N)=O 778415051 MCFNPKOPEVBZMO-ONEGZZNKSA-N 223.236 -0.525 50 20 BBGD C[C@@H](O)CN(C)NC(=O)[C@@H]1CCCN1C 821217785 OZONWUZHBMNGQZ-BDAKNGLRSA-N 215.297 -0.576 50 20 BBGD CN(C)CC1(C(=O)NN(C)C(N)=O)CC1 821459195 IDXYPEYLXZCZTL-UHFFFAOYSA-N 214.269 -0.630 50 20 BBGD COc1cc(C(=O)NN(C)C(N)=O)sn1 857171920 VYSZZUHWFZSUTC-UHFFFAOYSA-N 230.249 -0.193 50 20 BBGD COC(=O)N(C)CC(=O)NNc1ccncn1 857520473 YKSRBIVDCIUVAA-UHFFFAOYSA-N 239.235 -0.382 50 20 BBGD CC(C)CONC(=O)NNC(=O)c1cn[nH]c1 858313213 BTYCTLRKICBVJX-UHFFFAOYSA-N 241.251 -0.059 50 20 BBGD C[C@H]1CC(=NNC(=O)CS(C)(=O)=O)CO1 863183625 JCFZKWITKFCMMT-LURJTMIESA-N 234.277 -0.688 50 20 BBGD C#C[C@@](C)(CC)NC(=O)c1cccc(B(O)O)c1 863883511 CQOJFNXHVBEGSZ-ZDUSSCGKSA-N 245.087 -0.102 50 20 BBGD Cc1nocc1CNCc1cccc(B(O)O)c1 877563861 SZYLOKSXRYKSRR-UHFFFAOYSA-N 246.075 -0.047 50 20 BBGD OC[C@H]1C[C@H](NCc2ccccc2B(O)O)C1 897355359 OJIXSLQOHNDFFY-HOMQSWHASA-N 235.092 -0.773 50 20 BBGD CC[C@@H](O)[C@H](C)C(=O)NNC(=O)C(C)(C)O 907624709 CVVLYHAIVPMQFP-NKWVEPMBSA-N 232.280 -0.688 50 20 BBGD CCC(=O)NNC(=O)[C@H](C)N[C@@H]1COC[C@@H]1C 932486459 DMPCGCWVPWJLDU-XHNCKOQMSA-N 243.307 -0.443 50 20 BBGD Cn1ccnc(NNC(=O)c2cccnc2)c1=O 1116200846 YCZJHVSIBODYKU-UHFFFAOYSA-N 245.242 -0.068 50 20 BBGD CNC(=S)N(C)NC(=O)c1cncnc1C 1118712697 FJVROMQPDCFOSG-UHFFFAOYSA-N 239.304 -0.134 50 20 BBGD CN(C)c1ccncc1C=NNC(=O)CCO 1254197050 OZDWNRXUNKWFDD-UHFFFAOYSA-N 236.275 -0.020 50 20 BBGD CO[C@@H](C)CC(=O)N1CC[C@@H](B(O)O)C1 1261844521 QYFYKAPHZVLFLE-JGVFFNPUSA-N 215.058 -0.513 50 20 BBGD C[C@@H](CC(N)=O)C(=O)NNC(=O)C1CC1 1321823971 DAPMOQMLCHRJLN-YFKPBYRVSA-N 213.237 -0.945 50 20 BBGD CCc1nnsc1C(=O)NNc1nc[nH]n1 1324334476 MCQZBJLIZOSIAK-UHFFFAOYSA-N 239.264 -0.025 50 20 BBGD Cc1csc(C(=O)NNC(=O)CCCN)n1 1328644810 BIWBWESMVLQLTM-UHFFFAOYSA-N 242.304 -0.049 50 20 BBGD O=C1CC[C@H](CC(=O)NNc2ncccn2)CN1 1334789519 ZLMUNNGXPYJCNV-MRVPVSSYSA-N 249.274 -0.164 50 20 BBGD C[C@@H](O)CN(C)NC(=O)c1ccnc(O)c1 1334998507 RWXQQEVVJFQMGJ-SSDOTTSWSA-N 225.248 -0.255 50 20 BBGD C[C@H](CNCc1ccccc1B(O)O)C(=O)O 1589069340 DWFULTYTHZKVNW-MRVPVSSYSA-N 237.064 -0.823 50 20 BBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)CCC(=O)O 1603479456 BOLNHWJFBBYHRN-RNFRBKRXSA-N 244.247 -0.576 50 20 BBGD CCO/C=C(/C#N)C(=O)N[C@@H](CF)C(=O)O 1610035584 PJASBYGLCMXWCE-RBSILHGTSA-N 230.195 -0.031 50 20 BBGD N#CC1=CCN(CC(=O)NCCC(=O)O)CC1 1610620977 YLQWVZCXVZTEQF-UHFFFAOYSA-N 237.259 -0.267 50 20 BBGD CCCN1CCC[C@@H]1C(=O)NNC(=O)NC 124896505 GVAQKMCSUKZEFU-MRVPVSSYSA-N 228.296 -0.179 50 20 BBGD CC[C@@H](O)CCNCc1ccc(B(O)O)cc1 585029126 VUMLMQLRMABWFF-GFCCVEGCSA-N 237.108 -0.383 50 20 BBGD O=C(NN=Cc1cc[nH]n1)c1cnccn1 755631036 CVWWLSDTIKNUCH-UHFFFAOYSA-N 216.204 -0.036 50 20 BBGD Cn1cc(C(=O)NN=Cc2cc[nH]n2)cn1 755729432 CALOGJNKQBIPFC-UHFFFAOYSA-N 218.220 -0.093 50 20 BBGD CCOc1nc(C(=O)NNC(C)=O)co1 771853694 WSURTUBAOUCFGQ-UHFFFAOYSA-N 213.193 -0.146 50 20 BBGD O=C(NCC1CC1)NNC(=O)C(F)F 787206937 JJGWYCJIMIHJIJ-UHFFFAOYSA-N 207.180 -0.008 50 20 BBGD COC(=O)N(C)NC(=O)[C@]1(C)CCNC1=O 822838090 OODINFFTBDQTKZ-SECBINFHSA-N 229.236 -0.758 50 20 BBGD NC(=O)NN=Cc1ccc(-c2nn[nH]n2)o1 822879928 JGUZHFGMFOYOKJ-UHFFFAOYSA-N 221.180 -0.538 50 20 BBGD O=C(CN1CCOCC1)NNc1ccncn1 857520966 VMXNEYCPEDXPQT-UHFFFAOYSA-N 237.263 -0.748 50 20 BBGD C[C@H](C(=O)NNC(=O)[C@@H]1CCC(=O)N1)C1CC1 862456171 MZMSPSIKYIHUTB-XPUUQOCRSA-N 239.275 -0.542 50 20 BBGD CC[C@H](C)OCC(=O)NNC(=O)c1cn[nH]c1 862472572 MZVFYLYHUITSNQ-ZETCQYMHSA-N 240.263 -0.014 50 20 BBGD Cn1ccc(C=NNC(=O)CS(C)(=O)=O)c1 863189961 XRZVDZPBZPKFBW-UHFFFAOYSA-N 243.288 -0.480 50 20 BBGD C[C@]1(C(=O)NNC(=O)NC2CC2)CCNC1=O 874194296 WDMDNHOSQNQQOG-JTQLQIEISA-N 240.263 -0.995 50 20 BBGD CNC(=O)NNC(=O)[C@H]1CCc2n[nH]cc2C1 1253672031 UKSYXWLCIZUCMF-LURJTMIESA-N 237.263 -0.525 50 20 BBGD O=C(NNC(=O)[C@@]1(F)CCOC1)c1cn[nH]c1 1261830260 POLMIKVXJFHYBZ-SECBINFHSA-N 242.210 -0.701 50 20 BBGD CC(C)C(=O)NNC(=O)NOC[C@H]1CCOC1 1320650399 KEPQFYOVNCBAHZ-QMMMGPOBSA-N 245.279 -0.059 50 20 BBGD CC(=NNC(=O)CCO)c1cnccn1 1322321136 QHAHATQPADMYMP-UHFFFAOYSA-N 208.221 -0.301 50 20 BBGD Cn1cc(C=NNC(=O)[C@@H]2CCC(=O)N2)cn1 1329192581 TUJRYOJBPFOHTB-QMMMGPOBSA-N 235.247 -0.851 50 20 BBGD CC[C@H](F)C(=O)NNC(=O)N1CCOCC1 1337044497 NLXKEQJDWGFWMI-ZETCQYMHSA-N 233.243 -0.193 50 20 BBGD CO[C@@H](C(=O)O)C(=O)NNC(=O)CCC(C)C 1593908259 GNNZEEOPMJDAKS-MRVPVSSYSA-N 246.263 -0.330 50 20 BBGD O=C(O)C(=O)NNc1nc(O)c2ccccc2n1 1611362385 UVRDCRWVEGARHJ-UHFFFAOYSA-N 248.198 -0.137 50 20 BBGD NNC(=O)c1ccc(-n2cncn2)nc1 37389781 VIPDFOZSVYEMOB-UHFFFAOYSA-N 204.193 -0.734 50 20 BBGD COc1cc(C)nc(NNC(=O)[C@H](C)O)n1 276602160 YAWCYLYQHOSPAX-LURJTMIESA-N 226.236 -0.382 50 20 BBGD Cn1ccc(C(=O)NNC(=O)C(C)(C)O)c1 278070558 ZJPFYSDIJOEVTK-UHFFFAOYSA-N 225.248 -0.443 50 20 BBGD C[C@@H]1CN(C(=O)c2cccc(B(O)O)c2)CCO1 584926613 VHLMRSZIIRLRCM-SECBINFHSA-N 249.075 -0.773 50 20 BBGD CCC[C@H](C#N)NC(=O)c1ccc(B(O)O)cc1 584937020 PBYNUMIUSVYHLC-LLVKDONJSA-N 246.075 -0.212 50 20 BBGD O=C(c1ccc(B(O)O)cc1)N1C[C@H]2CC[C@H]2C1 585007426 MQCVIRGBZMOKEL-PHIMTYICSA-N 245.087 -0.152 50 20 BBGD N#CCCCCNCc1ccc(B(O)O)o1 585022500 PEEBQPITEDPCAV-UHFFFAOYSA-N 222.053 -0.257 50 20 BBGD Cc1cccc2c(=O)n(CC(=O)NN)cnc12 756300035 ORMBASCVHQSKHZ-UHFFFAOYSA-N 232.243 -0.305 50 20 BBGD Cc1cc(C(=O)NNC(=O)CO)ns1 770702670 ANLAZVVXDPSAEJ-UHFFFAOYSA-N 215.234 -0.795 50 20 BBGD CC1=C(C(=O)NN(C)C(N)=O)C(=O)OC1(C)C 778415986 XOGKZIQEFSUPNK-UHFFFAOYSA-N 241.247 -0.320 50 20 BBGD O=C(CN1CCOCC1)NNc1cccnn1 779206107 CWRQVLXUCNNBQS-UHFFFAOYSA-N 237.263 -0.748 50 20 BBGD Cc1n[nH]cc1C(=O)NNC(=O)CC(C)(C)O 792147220 KFQBZAUYRXKIMB-UHFFFAOYSA-N 240.263 -0.360 50 20 BBGD CC(=O)NCC(=O)NNc1cccc(F)n1 804768864 YGJAGDVEGZDZDG-UHFFFAOYSA-N 226.211 -0.200 50 20 BBGD CCN(CCO)NC(=O)C[C@H](C)CC(=O)OC 823884661 DNFZLEUGPAUPFN-VIFPVBQESA-N 246.307 -0.079 50 20 BBGD C[C@@H](CO)N(C)NC(=O)COC[C@@H]1CCCO1 823959978 TVZBQEHFBBHAIE-UWVGGRQHSA-N 246.307 -0.474 50 20 BBGD CC(=O)NNC(=O)[C@@H]1CCCN1c1ncccn1 873739676 LKDWZDCSKWJKJH-VIFPVBQESA-N 249.274 -0.387 50 20 BBGD NC1(CNCC(=O)NNC(=O)C2CC2)CCC1 1118197835 DKXUMNRFJRELBL-UHFFFAOYSA-N 240.307 -0.985 50 20 BBGD CC1=NO[C@@](C)(C(=O)NNC(=O)N(C)C)C1 1120594245 MAGBDTJFPBKJAU-SECBINFHSA-N 228.252 -0.156 50 20 BBGD O=C1CC[C@H](C(=O)NNc2ncccn2)N1 1318326036 MVAVVJUGHJNGHF-ZCFIWIBFSA-N 221.220 -0.802 50 20 BBGD COC(=O)NNC(=O)CCCS(C)(=O)=O 1321183807 FWQIFXGIYISPGS-UHFFFAOYSA-N 238.265 -0.802 50 20 BBGD CN(NC(=O)C(=O)NCC1CC1)C1CC1 1325905145 XKUNKKVYVCECSW-UHFFFAOYSA-N 211.265 -0.362 50 20 BBGD O=C(CCO)NN=Cc1cnn(CC(F)F)c1 1327779365 ZQMANZXBQIXFFQ-UHFFFAOYSA-N 246.217 -0.019 50 20 BBGD COC(=O)N(C)NC(=O)CCCCNC(N)=O 1328061837 WYKYRRJVAQOZCL-UHFFFAOYSA-N 246.267 -0.446 50 20 BBGD O=C(NNC(=O)N1CCC1)c1cn[nH]c1 1329194029 TXLZNGBFRYKIJS-UHFFFAOYSA-N 209.209 -0.530 50 20 BBGD CN(NC(=O)c1n[nH]c2c1CCC2)C(N)=O 1337074136 YBKUIABRGYQKBN-UHFFFAOYSA-N 223.236 -0.446 50 20 BBGD C=C(CC)C(=O)NNC(=O)COCCOC 1347143902 VETGHXOWAWDSCK-UHFFFAOYSA-N 230.264 -0.237 50 20 BBGD Cc1cccc(C(=O)NNC(=O)CO)c1 11638896 FIAXYSCANOSNPR-UHFFFAOYSA-N 208.217 -0.252 50 20 BBGD C=CCNC(=S)NNC(=O)[C@](C)(O)C1CC1 288488265 VUILDYMAFLOGNH-SNVBAGLBSA-N 243.332 -0.171 50 20 BBGD CC(=O)NNC(=O)c1snnc1C 306159267 NMXDGIHHQNMSEC-UHFFFAOYSA-N 200.223 -0.373 50 20 BBGD Cn1cc(CCNCc2ccc(B(O)O)o2)cn1 585041122 NCNCKEPCPXRDPW-UHFFFAOYSA-N 249.079 -0.975 50 20 BBGD CCc1ncc(C(=O)NCB(O)O)s1 585061252 NQTQQRGIKIJXGK-UHFFFAOYSA-N 214.055 -0.553 50 20 BBGD C/C=C(/C)C(=O)NNC(=O)C(=O)NC(C)C 751308578 IFYLKUCACZYZNN-ALCCZGGFSA-N 227.264 -0.375 50 20 BBGD COC(=O)CCCC(=O)NNc1nc[nH]n1 816634751 RPQUYTZWNWPMFE-UHFFFAOYSA-N 227.224 -0.409 50 20 BBGD C[C@H](O)CN(C)NC(=O)[C@@H]1CCCO1 821217920 RBGMPVVMIZFPCR-YUMQZZPRSA-N 202.254 -0.491 50 20 BBGD CN(NC(=O)c1cc(=O)n(C)cn1)C1CC1 823789850 OABQVELHBPZHES-UHFFFAOYSA-N 222.248 -0.481 50 20 BBGD CCN(CCO)NC(=O)[C@H]1CC(=O)N(CC)C1 823847023 QLVIOIHCKKJHTQ-VIFPVBQESA-N 243.307 -0.800 50 20 BBGD C[C@@H](CO)N(C)NC(=O)C[C@@H]1CCCO1 823970213 DCMYRQJIGVAWBT-IUCAKERBSA-N 216.281 -0.101 50 20 BBGD CNC(=S)N(C)NC(=O)c1cc(C)nn1C 854926091 VDLCIXGWPWUODW-UHFFFAOYSA-N 241.320 -0.191 50 20 BBGD C[C@@H]1C[C@H]1C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862448886 IJESKUTZPMGHRU-QYNIQEEDSA-N 225.248 -0.932 50 20 BBGD CC[C@@]1(C(=O)NNc2cccnn2)CCNC1=O 867355836 IJDMCRMZLXFLOG-LLVKDONJSA-N 249.274 -0.164 50 20 BBGD CN(CC(=O)NNC(=O)CO)CC(C)(C)C 897313058 TXDMAHSYEMRZLB-UHFFFAOYSA-N 231.296 -0.896 50 20 BBGD CCn1ccnc1C(=O)NN(C)C[C@H](C)O 910154155 WMGDGQQGDRPLHC-QMMMGPOBSA-N 226.280 -0.140 50 20 BBGD C[C@H](O)CN(C)NC(=O)c1ccn(C)c(=O)c1 910172356 AZROPBBYPAWXPJ-QMMMGPOBSA-N 239.275 -0.657 50 20 BBGD C[C@@H](O)CN(C)NC(=O)CCn1cccn1 910172596 CPLGTBOQXJDYKF-SECBINFHSA-N 226.280 -0.383 50 20 BBGD COC(=O)N(C)NC(=O)N[C@@H]1COC[C@H]1C 926031752 REMLIQVIFFCQFI-RNFRBKRXSA-N 231.252 -0.066 50 20 BBGD CC(C)C(=O)NNC(=O)c1cc(=O)cc[nH]1 929286673 DMIYZBIQJBKJMJ-UHFFFAOYSA-N 223.232 -0.208 50 20 BBGD CC(C)NC(=O)NNC(=O)c1nccnc1N 1116068723 USNWAUFUKKVYBS-UHFFFAOYSA-N 238.251 -0.589 50 20 BBGD CCn1ccc(C(=O)NN(C)C[C@H](C)O)n1 1119645153 PAWKFFZNFPNFBI-QMMMGPOBSA-N 226.280 -0.140 50 20 BBGD CN(C)CC(=O)NNC(=O)C[C@@H]1CCOC1 1318650584 FZPPXTGLLNSWJC-QMMMGPOBSA-N 229.280 -0.878 50 20 BBGD Cc1noc(C)c1NC(=O)NNC(=O)CCO 1323986999 VEKPOIIFBCBOCB-UHFFFAOYSA-N 242.235 -0.173 50 20 BBGD Cc1c[nH]nc1C=NNC(=O)CS(C)(=O)=O 1331821547 PAGHEISFQUXJFP-UHFFFAOYSA-N 244.276 -0.787 50 20 BBGD CC(C)(N)CC(=O)NNC(=O)N1CCOCC1 1573483757 SKBYWCGTLWUUAQ-UHFFFAOYSA-N 244.295 -0.813 50 20 BBGD CN(NC(=O)[C@]1(C(=O)O)CC=CCC1)C(N)=O 1604195661 SYLFPOBBXWOCBQ-JTQLQIEISA-N 241.247 -0.161 50 20 BBGD CC(C)(C)OC(=O)N1C[C@@H](N)C[C@H]1C(=O)NN 2237528447 XAELNRPMGOPFGT-BQBZGAKWSA-N 244.295 -0.687 50 20 BBGD COC(=O)CCNS(=O)(=O)CCl 84700519 QXHZOMDHUQQEGC-UHFFFAOYSA-N 215.658 -0.335 50 20 BBGD CCC(=O)NNC(=O)[C@@H](C)N1CCOCC1 109824518 RWEYUTWSNZQWKK-MRVPVSSYSA-N 229.280 -0.736 50 20 BBGD C[C@@H]1OC(=O)N[C@H]1C(=O)NNC(=O)CC1CC1 496570695 KTMCTHFHFMEQJT-YLWLKBPMSA-N 241.247 -0.569 50 20 BBGD O=C(c1cccc(B(O)O)c1)N1CC2(CC2)C1 584994348 HFOOBXQHGUMAFF-UHFFFAOYSA-N 231.060 -0.398 50 20 BBGD CCC(C)(C)N(C)C(=O)NCB(O)O 585059597 UBRDJWNOKQDKHL-UHFFFAOYSA-N 202.063 -0.172 50 20 BBGD O=C(N1CC[C@H](B(O)O)C1)C(F)(F)C(F)F 585070128 WIWXGCRPZJMIQD-BYPYZUCNSA-N 242.965 -0.038 50 20 BBGD CCn1nnc(C)c1CN1CC[C@@H](B(O)O)C1 585079366 ZDMRIIUCRBQORF-SECBINFHSA-N 238.100 -0.345 50 20 BBGD CN(C)CC(=O)NNC(=O)c1nccs1 770415017 KQNMPBWYOLMWNR-UHFFFAOYSA-N 228.277 -0.534 50 20 BBGD COC(=O)CNC(=O)NN=Cc1ccc[nH]1 779822143 AHTPJJWMYHGHKM-UHFFFAOYSA-N 224.220 -0.179 50 20 BBGD Cc1n[nH]cc1C(=O)NNC(=O)C(F)F 787335462 RPGQVFRQXUHIIJ-UHFFFAOYSA-N 218.163 -0.256 50 20 BBGD COC(=O)c1cc(C(=O)NNC(C)=O)ccn1 787864284 LGJSQKDWBZEOKC-UHFFFAOYSA-N 237.215 -0.351 50 20 BBGD CN(N=Cc1cnc(N(C)C)n1C)C(N)=O 811646253 RYILZGUQDLRGEO-UHFFFAOYSA-N 224.268 -0.170 50 20 BBGD CN(N=C1CCN(CCO)CC1)C(N)=O 819812013 IAHJTGCDHQZYBV-UHFFFAOYSA-N 214.269 -0.559 50 20 BBGD COC[C@@H](OC)C(=O)NNC(=O)NC1CC1 823768481 WJZPOCBRTJRLSS-SSDOTTSWSA-N 231.252 -0.859 50 20 BBGD C=CCn1cc(C(=O)NN(C)CCOC)nn1 843881825 FFQBFYBLEIPTLM-UHFFFAOYSA-N 239.279 -0.313 50 20 BBGD CSCCC=NNC(=O)CS(C)(=O)=O 863187899 UIFLHHMUYPYWJH-UHFFFAOYSA-N 238.334 -0.114 50 20 BBGD O=C(O)COCCNS(=O)(=O)CCl 864500445 QBYUSAIERRDPED-UHFFFAOYSA-N 231.657 -0.797 50 20 BBGD C[C@H](O)CN(C)NC(=O)[C@H](O)c1cccnc1 910154023 BOLFIKCJDMONQH-WCBMZHEXSA-N 239.275 -0.541 50 20 BBGD C[C@@H](O)CN(C)NC(=O)[C@]1(O)CCSC1 910155199 KWCXMSKUGIGVHP-APPZFPTMSA-N 234.321 -0.802 50 20 BBGD C[C@@H](O)CN(C)NC(=O)CCN1CCOC1=O 910168420 NXCFSVUWCQSJDM-MRVPVSSYSA-N 245.279 -0.828 50 20 BBGD N#CSCCCNS(=O)(=O)C1COC1 916985381 AHPZAXRUMHASDP-UHFFFAOYSA-N 236.318 -0.091 50 20 BBGD O=C(NNc1nc[nH]n1)c1n[nH]c2c1CCC2 1324275538 FQPHMTHQUMXQFA-UHFFFAOYSA-N 233.235 -0.227 50 20 BBGD CC(CS(C)(=O)=O)=NNC(=O)c1cn[nH]c1 1329196539 RYZRHGAOGZLBRO-UHFFFAOYSA-N 244.276 -0.440 50 20 BBGD O=C(CC1CCOCC1)N1CC[C@H](B(O)O)C1 1329216003 SUNOLKDOXBDSPY-JTQLQIEISA-N 241.096 -0.122 50 20 BBGD N#C/C=C\Cn1cc([N+](=O)[O-])cc(C(N)=O)c1=O 1333247141 WYODEQUOQUNNNO-UPHRSURJSA-N 248.198 -0.065 50 20 BBGD CC[C@@H](F)C(=O)NNC(=O)CN1CCCC1=O 1337394598 GBORJYLTQQZXTQ-SSDOTTSWSA-N 245.254 -0.496 50 20 BBGD CCNC(=O)NNC(=O)c1ccn(C)c(=O)c1 1337858455 GNYKJGLYJPERMI-UHFFFAOYSA-N 238.247 -0.651 50 20 BBGD C[C@@H](N)CC(=O)NNc1ncncc1F 1579401296 UFTAYONWJJOVBO-RXMQYKEDSA-N 213.216 -0.204 50 20 BBGD O=C(NNc1ncccn1)[C@H]1CSCN1 238104545 SZNNSGFFKFYPOK-ZCFIWIBFSA-N 225.277 -0.418 50 20 BBGD O=C(NNC(=O)C1(O)CCC1)c1ccncc1 274590703 HRBAIQYKGOJKMY-UHFFFAOYSA-N 235.243 -0.242 50 20 BBGD CC[C@H](C#N)NC(=O)c1ccc(B(O)O)cc1 584936044 CVMDDBDNOQPLCT-SNVBAGLBSA-N 232.048 -0.602 50 20 BBGD C[C@H](NCc1ccc(B(O)O)o1)c1ccon1 585034924 NNIJTJLQZSGWAR-ZETCQYMHSA-N 236.036 -0.202 50 20 BBGD C[C@H](O)C[C@@H](C)NCc1ccc(B(O)O)o1 585035357 RNYKRINWKCOUGL-SFYZADRCSA-N 227.069 -0.792 50 20 BBGD Cc1cc(S(=O)(=O)NCB(O)O)sc1C 585056132 PKBXWDSDYPXZOT-UHFFFAOYSA-N 249.122 -0.345 50 20 BBGD O=C(CCC(=O)c1cccs1)NCB(O)O 585057056 JLHVZILGLKFXJC-UHFFFAOYSA-N 241.077 -0.161 50 20 BBGD Cc1cc(C)n(CC(=O)NNC(N)=O)n1 700868760 KOSBKDRWZSEJPL-UHFFFAOYSA-N 211.225 -0.801 50 20 BBGD O=C(CCC1CC1)NNC(=O)C(=O)NC1CC1 734425695 YIHSEVQDPTWMDE-UHFFFAOYSA-N 239.275 -0.397 50 20 BBGD CC(C)NC(=O)NNC(=O)[C@H]1COCCO1 745139175 ANZNSLVEILCQEQ-SSDOTTSWSA-N 231.252 -0.859 50 20 BBGD Cn1cccc1C(=O)NNC(=O)C1(C)COC1 782208218 FMIFQLORZGKIAR-UHFFFAOYSA-N 237.259 -0.177 50 20 BBGD CCOC(=O)/C(C#N)=C/NCC(=O)NCC#N 794736950 TXWGIUJCLHKNKN-SOFGYWHQSA-N 236.231 -0.814 50 20 BBGD Cc1cc(NC(=O)NNC(=O)O)c(=O)n(C)c1 832895364 TWDOSZRWLOKQGO-UHFFFAOYSA-N 240.219 -0.002 50 20 BBGD C=CCCn1cc(C=NNC(N)=O)nn1 853256075 MKHWZMFCDQKBIA-UHFFFAOYSA-N 208.225 -0.144 50 20 BBGD C[C@@H](NC(=S)NNC(=O)CN(C)C)C1CC1 855101340 VCQLYUKFDLUYJN-SSDOTTSWSA-N 244.364 -0.158 50 20 BBGD C[C@@]1(C(=O)NNC(=O)c2cc[nH]n2)CCOC1 855356862 SYQKMKBMGMXYGY-SNVBAGLBSA-N 238.247 -0.403 50 20 BBGD C=C[C@H](CO)NC(=O)/C(C#N)=C/c1cnn(C)c1 856275566 DWTZPPGWMAHDTC-LLMHMKPQSA-N 246.270 -0.010 50 20 BBGD O=C(c1ccc(B(O)O)cc1)N1C[C@H]2C[C@@H]2C1 863887675 RFXJEFFBNOLEME-NXEZZACHSA-N 231.060 -0.542 50 20 BBGD CC(C)(F)C(=O)NNC(=O)c1cccnn1 882056641 BIDGAFPEUHKGQN-UHFFFAOYSA-N 226.211 -0.014 50 20 BBGD COC(=O)CC(=O)NNC(=O)C1CCC1 906645114 SMUUWKDLYXJPQO-UHFFFAOYSA-N 214.221 -0.503 50 20 BBGD C#CCSCC(=O)NNC(=O)C(C)(C)O 907624719 CYIPAIKNHXYJTG-UHFFFAOYSA-N 230.289 -0.729 50 20 BBGD CN(NC(=O)COC(F)(F)F)C(N)=O 935178012 RLBNRBBESFUOTG-UHFFFAOYSA-N 215.131 -0.436 50 20 BBGD CC(C)NC(=O)NNC(=O)[C@H]1CCC(=O)N1 1115998214 UAUYFTZPCFXFQE-ZCFIWIBFSA-N 228.252 -0.996 50 20 BBGD COc1nc(Cl)c(C=NNC(=O)CO)n1C 1117742505 SMQKXXBIRQHMOI-UHFFFAOYSA-N 246.654 -0.476 50 20 BBGD CN(C)C(=O)NNC(=O)c1cnc2n1CCC2 1118636251 MQOGOUBUBOGKNK-UHFFFAOYSA-N 237.263 -0.255 50 20 BBGD COC(=O)C(=O)NNC(=O)N[C@H]1C=CCCC1 1323793334 GFSCZYXLRLJEAZ-ZETCQYMHSA-N 241.247 -0.402 50 20 BBGD CC(=O)NNC(=O)[C@H]1CCCc2nn[nH]c21 1347284339 XFOLRQXYTNLACG-LURJTMIESA-N 223.236 -0.608 50 20 BBGD N#Cc1cccc(C(=O)NNC(N)=O)c1 69606324 ZUQVJKSIDLSTFI-UHFFFAOYSA-N 204.189 -0.129 50 20 BBGD C[C@H]1CO[C@H](CO)CN1S(=O)(=O)CCl 88093843 GMUGGHNSPLYKQD-BQBZGAKWSA-N 243.712 -0.406 50 20 BBGD O=C(CNCC1CC1)NNc1ncccn1 151496051 MFHWRRVVAYMSNA-UHFFFAOYSA-N 221.264 -0.081 50 20 BBGD CN(C)CC(=O)NNC(=O)CCc1ccco1 170759297 KZVRPKQNXPCMQK-UHFFFAOYSA-N 239.275 -0.079 50 20 BBGD C[C@@H]1SCCC1=NNC(=O)C(N)=O 382328381 VVPRJOQJYRPUTN-BYPYZUCNSA-N 201.251 -0.531 50 20 BBGD CCNC(=O)NNC(=O)/C=C\OCC 493864821 ZVXJXPMGOQRHME-WAYWQWQTSA-N 201.226 -0.113 50 20 BBGD CCOc1cccnc1C(=O)NCB(O)O 585060122 ANMAUHHDPRXANY-UHFFFAOYSA-N 224.025 -0.778 50 20 BBGD O=C(C[C@H]1CCCC(=O)N1)NNc1ncccn1 809596761 BPSUOHRTNKATGI-MRVPVSSYSA-N 249.274 -0.022 50 20 BBGD C[C@@H](C(=O)NN(C)C1CC1)N1C(=O)CCC1=O 819645422 JGMFOJHBFRVMHN-ZETCQYMHSA-N 239.275 -0.351 50 20 BBGD CCO/C=C(/C#N)C(=O)N[C@@H]1COC(=O)C1 820073468 HJLKJWCLPOKANK-TVSKSKRASA-N 224.216 -0.138 50 20 BBGD CCN(CCO)NC(=O)c1ccc(O)nc1 823834286 ZUAJZORHSZUBAT-UHFFFAOYSA-N 225.248 -0.254 50 20 BBGD CCN(CCO)NC(=O)CC(C)(C)O 823879855 UOACUCPXHQYVBJ-UHFFFAOYSA-N 204.270 -0.507 50 20 BBGD CC[C@H](NC(C)=O)C(=O)NN(C)[C@H](C)CO 823907136 INSUWNGYXAGBNF-APPZFPTMSA-N 231.296 -0.755 50 20 BBGD O=C(C=C1CCC1)NNC(=O)c1ncon1 832825598 AWIKDORGWIKWQX-UHFFFAOYSA-N 222.204 -0.059 50 20 BBGD O=C(CSC1CC1)NNC(=O)c1ncon1 832826261 VABWCEXTEFOGAA-UHFFFAOYSA-N 242.260 -0.274 50 20 BBGD C[C@](O)(C(=O)NNC(=O)c1cn[nH]c1)C1CC1 862470621 SWYLMPOGSXMCBI-SNVBAGLBSA-N 238.247 -0.668 50 20 BBGD C#C[C@@H](CC)NC(=O)c1cc(B(O)O)ccc1F 863879981 JYZLSGWWWVPMPU-VIFPVBQESA-N 249.050 -0.353 50 20 BBGD CC[C@@H](NC(C)=O)C(=O)NNC(=O)C(C)C 864491159 SJZKMNWNOASCGC-MRVPVSSYSA-N 229.280 -0.296 50 20 BBGD C[C@@H](C(=O)NNc1cnnn1C)N(C)C 1119268437 GYBPXAFRIHCCEP-LURJTMIESA-N 212.257 -0.792 50 20 BBGD C[C@H](CO)N(C)NC(=O)[C@@]1(C)CCOC1 1261911039 QUZTWEAHEHEDNA-SCZZXKLOSA-N 216.281 -0.243 50 20 BBGD CN(NC(=O)c1c[nH]cc(Cl)c1=O)C(N)=O 1321426930 OIFJCROJSXFMCE-UHFFFAOYSA-N 244.638 -0.316 50 20 BBGD Cn1cncc1CC(=O)NNc1ncccn1 1324174751 NCVSQSOBLXMDQE-UHFFFAOYSA-N 232.247 -0.104 50 20 BBGD CNC(=S)N(C)NC(=O)C1CCN(C)CC1 1332144801 DSOQXUHMFMXXTK-UHFFFAOYSA-N 244.364 -0.205 50 20 BBGD CC(C)C[C@@H](N)C(=O)NNC(=O)NC1CC1 1575626707 PPXWIVIDHSANDV-MRVPVSSYSA-N 228.296 -0.147 50 20 BBGD C[C@@H](C(=O)O)C(=O)NN=c1cc[nH]cc1F 1588575650 IHIPCOLAXAWIPO-RXMQYKEDSA-N 227.195 -0.194 50 20 BBGD C[C@H]1CC[C@@H](C(=O)NNC(=O)CC(=O)O)O1 1599906853 OYENNXKTXOLRGZ-WDSKDSINSA-N 230.220 -0.824 50 20 BBGD CCNC(=O)NNC(=O)c1cnn(C)c1 49165683 AINJASWIXIJYQF-UHFFFAOYSA-N 211.225 -0.616 50 20 BBGD C[C@H](OC[C@@H]1CCCCO1)C(=O)NN 82463775 MCYDZPOORQMFGY-YUMQZZPRSA-N 202.254 -0.050 50 20 BBGD CN(C)CC(=O)NNC(=O)CCC1CC1 115712095 NWOMZNLEUSJGSG-UHFFFAOYSA-N 213.281 -0.114 50 20 BBGD CNC(=O)NNC(=O)CCNC(=O)CC(C)C 161603606 XLANTBHMBRSWBN-UHFFFAOYSA-N 244.295 -0.501 50 20 BBGD CN1CC[C@@H](NC(=O)NNc2ccccn2)C1=O 172404686 NECDTWZRQKCROO-MRVPVSSYSA-N 249.274 -0.062 50 20 BBGD COCC(=O)NNc1ccc(C(=O)OC)cn1 270340115 BONJVBAHOUHFJC-UHFFFAOYSA-N 239.231 -0.042 50 20 BBGD N=c1ncc(C=NNC(=O)C2CC2)c[nH]1 380179327 FVAUPCICOCYTIA-UHFFFAOYSA-N 205.221 -0.251 50 20 BBGD COCC[C@@H](C)NCc1cccc(B(O)O)c1 585021508 VZGXCZQLYLAUHF-SNVBAGLBSA-N 237.108 -0.119 50 20 BBGD O=C(/C=C/c1cccs1)NCB(O)O 585057319 RBYZFDFSLNSYNC-ONEGZZNKSA-N 211.051 -0.111 50 20 BBGD CCCCS(=O)(=O)N1CC[C@H](B(O)O)C1 585058177 VCBULBGJTDMQBO-QMMMGPOBSA-N 235.114 -0.335 50 20 BBGD CC(C)(C)CC(=O)NNC(=S)NCC(N)=O 728445753 LPEQPKJMPHBUID-UHFFFAOYSA-N 246.336 -0.597 50 20 BBGD Cc1c(C(=O)NNC(=O)CO)cnn1C(C)C 753438633 OYZYNOIKLLBGBS-UHFFFAOYSA-N 240.263 -0.474 50 20 BBGD CNC(=O)NNC(=O)C1(O)CCSCC1 764873485 BMOFGHUYIAMPRI-UHFFFAOYSA-N 233.293 -0.795 50 20 BBGD CCNC(=O)N(C)NC(=O)[C@@H]1CN(C)CCO1 770549589 SAEYQFLBLCISHU-QMMMGPOBSA-N 244.295 -0.991 50 20 BBGD CSC1(C(=O)NNC(=O)CO)CCC1 787911937 LSZCCTVWUWAOEF-UHFFFAOYSA-N 218.278 -0.588 50 20 BBGD COC(=O)N(C)NC(=O)CCN1CCOCC1 804123936 NDZRULVJWZDDRN-UHFFFAOYSA-N 245.279 -0.562 50 20 BBGD CC(C)(O)C(=O)NNC(=O)[C@@H](F)C(F)(F)F 816359810 HKOYADCIIOZPSF-GSVOUGTGSA-N 246.160 -0.195 50 20 BBGD CCCS(=O)(=O)CC(=O)NN(C)C1CC1 819646291 RAQMVHULHCOHMR-UHFFFAOYSA-N 234.321 -0.063 50 20 BBGD CCS(=O)(=O)NCC(=O)NN(C)C1CC1 819649830 ZCXDTOLQXKIQHT-UHFFFAOYSA-N 235.309 -0.949 50 20 BBGD C=C[C@H](O)C(=O)NNC(=O)NCC1CC1 823803850 GJBCVQGHHLUDNQ-ZETCQYMHSA-N 213.237 -0.726 50 20 BBGD C[C@H](CO)N(C)NC(=O)C[C@@H]1CCCC(=O)N1 823923981 WVPODFHXQFUUIM-BDAKNGLRSA-N 243.307 -0.611 50 20 BBGD CC(C)NC(=O)NNC(=O)[C@H]1CC[C@@H]1C(N)=O 847401614 IRUWBILFEXTIGE-BQBZGAKWSA-N 242.279 -0.763 50 20 BBGD COC(=O)N(C)NC(=O)N[C@H]1COC[C@H]1OC 875662492 FLTBCNHZIXCSKL-NKWVEPMBSA-N 247.251 -0.687 50 20 BBGD CC(=NNC(=O)C(=O)NC1CC1)c1cnn(C)c1 920828248 YOWYUNKPXJUIOK-UHFFFAOYSA-N 249.274 -0.461 50 20 BBGD CC(=NNC(=O)CCO)c1cc(C)nn1C 1117045127 IRDXLYYZZOYHOZ-UHFFFAOYSA-N 224.264 -0.049 50 20 BBGD COC(=O)NNC(=O)[C@H](C)CS(C)(=O)=O 1325555466 VBIMTVWJHCGOHJ-RXMQYKEDSA-N 238.265 -0.946 50 20 BBGD CC(C)c1cc(C(=O)NNC(=O)CO)n(C)n1 182765222 XGVCIMZYSGETLU-UHFFFAOYSA-N 240.263 -0.703 50 20 BBGD C[C@H]1CN(S(=O)(=O)CCl)C[C@H]1O 306629021 CABPKLOWGFUJCV-NTSWFWBYSA-N 213.686 -0.175 50 20 BBGD CS(=O)(=O)c1ccc(N)c(C(=O)NN)c1 389612262 DVAJALUPGNXJMM-UHFFFAOYSA-N 229.261 -0.724 50 20 BBGD COC(=O)NNC(=S)NC[C@@H]1CCOC1 493784916 YPBQFWYEQQAHJS-LURJTMIESA-N 233.293 -0.242 50 20 BBGD C=CCCOCCNCc1ccc(B(O)O)o1 585032474 VKDGPEFFMYDYSS-UHFFFAOYSA-N 239.080 -0.358 50 20 BBGD OB(O)c1ccc(CNCC2=CCCOC2)cc1 585041576 ZKKRSWPFGYZQGL-UHFFFAOYSA-N 247.103 -0.197 50 20 BBGD Cc1cc(NNC(=O)[C@H]2C[C@H]2C(=O)O)ncn1 738461503 FRMORHUQIAQUHI-NKWVEPMBSA-N 236.231 -0.051 50 20 BBGD CO[C@H](C)CC(=O)NNC(=O)C1CC1 749561344 HWDFNMKFPCHIBI-ZCFIWIBFSA-N 200.238 -0.031 50 20 BBGD Cc1cc(C(=O)NNC(=O)CO)c2n[nH]cc2c1 753438712 IINTYGHMPHUPKL-UHFFFAOYSA-N 248.242 -0.375 50 20 BBGD Cc1cccn2c(C=NNC(=O)C(N)=O)cnc12 755491432 NOEUEFROVNRWFQ-UHFFFAOYSA-N 245.242 -0.422 50 20 BBGD O=C(CO)NN=Cc1cccc(F)c1O 776783584 QKAQSTGGDKFGRQ-UHFFFAOYSA-N 212.180 -0.026 50 20 BBGD CC(=O)NNC(=O)[C@]1(C)CCCOC1 781418384 YIWWPKPNHYCDKB-SECBINFHSA-N 200.238 -0.030 50 20 BBGD CCC(=O)NNC(=O)[C@@H](C)N1CC(C)(C#N)C1 846883550 SHWNPKNIDZSUDY-MRVPVSSYSA-N 238.291 -0.222 50 20 BBGD CCCn1cc(C=NNC(=O)CN(C)C)nn1 872348080 OVGWEQQVNHGUGL-UHFFFAOYSA-N 238.295 -0.300 50 20 BBGD CC(C)C(=O)NNC(=O)[C@H]1C[C@@H](O)C1 873796328 FXIYDWHDUOVRSD-KNVOCYPGSA-N 200.238 -0.439 50 20 BBGD CC[C@@H](C(=O)NN(C)C[C@@H](C)O)C(=O)OC 910153728 UJUFFMJIPVBBON-SFYZADRCSA-N 232.280 -0.471 50 20 BBGD CCCNC(=O)NNC(=O)[C@@](C)(O)CC 930790730 BBQBIEXDNNRISX-VIFPVBQESA-N 217.269 -0.112 50 20 BBGD C[C@H](NC=C(C#N)C#N)c1nnnn1C 1120851418 HKUYSJNSVILBLC-LURJTMIESA-N 203.209 -0.208 50 20 BBGD CC(=NNC(=O)CCO)c1ccnn1C 1255883849 QQGBQDHASHHXHT-UHFFFAOYSA-N 210.237 -0.357 50 20 BBGD CNC(=O)NNC(=O)[C@H](O)c1ccccn1 1321293340 WGBPMFXEAGHUFB-SSDOTTSWSA-N 224.220 -0.925 50 20 BBGD COCCOCCC(=O)NNc1cnnn1C 1325023564 SJPWHGPLXYTGMS-UHFFFAOYSA-N 243.267 -0.689 50 20 BBGD CC(C)CC(=O)NNC(=O)NCC1(N)CC1 1335691392 WTAGKTINAJOLCP-UHFFFAOYSA-N 228.296 -0.146 50 20 BBGD NNC(=O)[C@H]1C[C@@]12C(=O)Nc1ccccc12 1340262729 QXSWMFPHCVITCY-HQJQHLMTSA-N 217.228 -0.114 50 20 BBGD CC1(C)CC[C@@H]1NC(=O)NNC(=O)C(=O)O 1593883791 UHISGKGBVXSNCG-YFKPBYRVSA-N 229.236 -0.410 50 20 BBGD Cc1nc(NC(=O)NNC(=O)CO)sc1C 183053412 KBYREADFHQOKDY-UHFFFAOYSA-N 244.276 -0.095 50 20 BBGD Cn1cccc1C(=O)NNC(=O)[C@H]1CCCO1 270139569 RHZUEGBUYDIHGF-SECBINFHSA-N 237.259 -0.035 50 20 BBGD COc1cc(C)nc(NNC(=O)[C@@H](C)O)n1 276602162 YAWCYLYQHOSPAX-ZCFIWIBFSA-N 226.236 -0.382 50 20 BBGD COC(=O)N(C)NC(=O)c1cc(OC)n(C)n1 286383336 OHIILHBNQNLXAH-UHFFFAOYSA-N 242.235 -0.228 50 20 BBGD CCC(=O)NN=Cc1cn(CC(=O)O)nn1 381460860 JPKYCDMCLOLZIY-UHFFFAOYSA-N 225.208 -0.777 50 20 BBGD C[C@@H](CCO)CNCc1ccc(B(O)O)cc1 585027699 YAZFVMRMNOFVDU-JTQLQIEISA-N 237.108 -0.526 50 20 BBGD CO[C@@H](C)[C@@H](C)NCc1ccccc1B(O)O 585040435 FHUJDYOMDNRKJP-ZJUUUORDSA-N 237.108 -0.121 50 20 BBGD CC[C@H]1COC[C@@H]1NCc1ccccc1B(O)O 585047158 JAKFHICHRCFEQP-GWCFXTLKSA-N 249.119 -0.119 50 20 BBGD O=C(Cc1cccc(F)c1F)NCB(O)O 585061420 XBYAKPKOKWKQLC-UHFFFAOYSA-N 228.991 -0.365 50 20 BBGD Cn1cc(CC(=O)NNC(=O)C2CCC2)cn1 732142939 NFHCNRFIBDRJIH-UHFFFAOYSA-N 236.275 -0.090 50 20 BBGD CN(C)C(=O)NNC(=O)[C@@H]1CCCN1C 733869765 JUDGJILJRBVUPN-ZETCQYMHSA-N 214.269 -0.617 50 20 BBGD COC1(CC(=O)NNC(=O)C(C)(C)O)CCC1 768256540 RXBLWZVVQGDNKG-UHFFFAOYSA-N 244.291 -0.136 50 20 BBGD CC(C)(O)C(=O)NNC(=O)[C@@H]1CCC=CO1 768261517 MHEAEPVSZLKYHX-ZETCQYMHSA-N 228.248 -0.403 50 20 BBGD CC(C)(O)C(=O)NNC(=O)c1ccncn1 768261677 NNGJJDPHTWKROJ-UHFFFAOYSA-N 224.220 -0.992 50 20 BBGD CCN(CCO)NC(=O)CN(C)C(=O)OC 823847579 YCMIRXNEVRMKDA-UHFFFAOYSA-N 233.268 -0.970 50 20 BBGD C#CCN1CCC[C@H]1C(=O)NN(CC)CCO 823856177 MNCIMZMQFKKJBN-NSHDSACASA-N 239.319 -0.571 50 20 BBGD O=C(NNC(=O)C1CCC1)c1ncc[nH]1 827216268 OUYJCMXNUCRLQK-UHFFFAOYSA-N 208.221 -0.029 50 20 BBGD CCNC(=O)N(C)NC(=O)[C@H]1NCC1(C)C 831944493 ABRNWFLIWBMYJP-SSDOTTSWSA-N 228.296 -0.323 50 20 BBGD C[C@@H]1COC(=O)C1=NNC(=O)c1cc[nH]n1 853392984 YBDHLWRZWIZEOX-RXMQYKEDSA-N 222.204 -0.312 50 20 BBGD COC(C)(C)CC(=O)NNC(=O)c1cc[nH]n1 855356071 GOZSJFKGDAUOKG-UHFFFAOYSA-N 240.263 -0.014 50 20 BBGD CC[C@H](NC(C)=O)C(=O)NN(C)C(=O)OC 868240987 MBKZFOOIVLPTLI-ZETCQYMHSA-N 231.252 -0.370 50 20 BBGD CCc1cc(C(=O)NNC(C)=O)n(C)n1 873739540 HCFHNDZQDRWQOA-UHFFFAOYSA-N 210.237 -0.237 50 20 BBGD C#CCOc1ccc(C=NNC(=O)C(N)=O)cc1 920987457 VWVBIBQTROGZGZ-UHFFFAOYSA-N 245.238 -0.366 50 20 BBGD C[C@H](CO)N(C)NC(=O)CCc1cnc[nH]1 1119047786 NCOBXZGHQZRDEI-MRVPVSSYSA-N 226.280 -0.314 50 20 BBGD C[C@@H](C(=O)NNc1ccn(C)n1)N(C)C 1119263572 LTBGGCKKXQSGOW-ZETCQYMHSA-N 211.269 -0.187 50 20 BBGD COCCn1cc(C=NNC(=O)CCO)cn1 1318930941 IHCFCDCGJGALHE-UHFFFAOYSA-N 240.263 -0.638 50 20 BBGD CON=CC(=O)NNc1ncnc2[nH]cnc12 1321518062 HTMGLGHQBOYAPF-UHFFFAOYSA-N 235.207 -0.572 50 20 BBGD CC(=O)N[C@@H](C)C(=O)NNc1ncc(F)cn1 1324521817 YJJFOQXTDRBCOO-YFKPBYRVSA-N 241.226 -0.417 50 20 BBGD COc1ccnc(NNC(=O)c2cn(C)nn2)n1 1329757013 ZZIWJJFJDQSUDF-UHFFFAOYSA-N 249.234 -0.629 50 20 BBGD C[C@@H](CO)N(C)NC(=O)c1cc(N)ccn1 1347193389 APUJSOXJRPKLEH-ZETCQYMHSA-N 224.264 -0.379 50 20 BBGD Cc1nc(N)sc1C(=O)NN(C)[C@@H](C)CO 1579863262 YEDXYNVOJIJQAS-YFKPBYRVSA-N 244.320 -0.009 50 20 BBGD CC(C)n1cncc1C=NNC(=O)C(=O)O 1592145431 FAPAJNHHKKNFBZ-UHFFFAOYSA-N 224.220 -0.001 50 20 BBGD C[C@@H](CC(=O)O)CC(=O)NNC(=O)C(C)(C)O 1604106974 SFRFQEHEFUZNAD-ZCFIWIBFSA-N 246.263 -0.594 50 20 BBGD C[C@@H](NS(=O)(=O)CCl)c1nncn1C 82512774 UAZMKGMGFOUOEV-RXMQYKEDSA-N 238.700 -0.008 50 20 BBGD C[C@H](Cl)C(=O)N1CC[C@H]2C(=O)NC(=O)[C@H]2C1 409430392 VMYRISMBEINIKO-XVMARJQXSA-N 244.678 -0.265 50 20 BBGD O=C(CCN1CCOC1=O)NNC(=O)C1CC1 490734930 VKKODIHTZHBJKA-UHFFFAOYSA-N 241.247 -0.614 50 20 BBGD CCNC(=O)CCC(=O)NNC(=O)NC(C)C 732063958 QCUJNKQPYHDEDG-UHFFFAOYSA-N 244.295 -0.359 50 20 BBGD O=C(Cc1ccncc1)NNC(=O)c1cn[nH]c1 747428214 KKQZGABPMYUMPN-UHFFFAOYSA-N 245.242 -0.192 50 20 BBGD C[C@@H](C(=O)NNC(=O)c1cccn1C)N(C)C 750606566 MPEHPSIXEUFBPX-QMMMGPOBSA-N 238.291 -0.264 50 20 BBGD COC(=O)NNC(=O)Nc1cnnn1C 787789960 HAGZLXLNUQLNFP-UHFFFAOYSA-N 214.185 -0.792 50 20 BBGD Cc1nn(C)c(C)c1C(=O)NN(C)[C@@H](C)CO 823983602 XTVAPVVBNAVLDP-ZETCQYMHSA-N 240.307 -0.006 50 20 BBGD O=C(CO)NNC(=S)NCC1CCC1 855090635 JMELAYCEWXNANO-UHFFFAOYSA-N 217.294 -0.726 50 20 BBGD O=C(NC1CSC1)c1cccc(B(O)O)c1 912819167 YABCHOMYHUOAFM-UHFFFAOYSA-N 237.089 -0.788 50 20 BBGD CNC(=O)NNC(=O)[C@@H]1CCC(=O)C[C@H]1C 1319873114 HBOYXRJAEZBAQK-HTRCEHHLSA-N 227.264 -0.048 50 20 BBGD COC(=O)NNC(=O)c1cc(CN(C)C)on1 1320259974 KRMMQGODXFLMAW-UHFFFAOYSA-N 242.235 -0.263 50 20 BBGD CNC(=O)NNC(=O)[C@H]1CCO[C@@H](C)C1 1324946686 WYSXLIQQDQFCDP-BQBZGAKWSA-N 215.253 -0.238 50 20 BBGD O=C([C@H]1CCCOC1)N1CC[C@@H](B(O)O)C1 1329215208 NECDHCLZKLLZNG-DTWKUNHWSA-N 227.069 -0.512 50 20 BBGD CN(NC(=O)CCOC1CCOCC1)C(N)=O 1342117685 BOGANCRIIJSRBI-UHFFFAOYSA-N 245.279 -0.386 50 20 BBGD CC(C)CC(=O)NNS(=O)(=O)c1cn[nH]c1 79708827 PYGQIVBSJDMJOR-UHFFFAOYSA-N 246.292 -0.235 50 20 BBGD CCOCCC1(C(=O)NNC(=O)CO)CCC1 182761469 AGBLCSHYVOJEIM-UHFFFAOYSA-N 244.291 -0.277 50 20 BBGD N#C[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)C1 202051822 HWTUNLGVQAYBSX-VIFPVBQESA-N 244.059 -0.648 50 20 BBGD CN1C(=O)[C@@H]2CN(C(=O)CCl)C[C@H]2C1=O 409425225 FMSPGGCGOBKCAM-PHDIDXHHSA-N 230.651 -0.702 50 20 BBGD CC[C@@H](NCc1ccccc1B(O)O)[C@@H](C)O 585044095 YPGHMEAASDQJCK-BXKDBHETSA-N 237.108 -0.385 50 20 BBGD CCOC(=O)NNC(=O)c1cnc(OC)nc1 733948029 OLDIZOYTZUEMDF-UHFFFAOYSA-N 240.219 -0.124 50 20 BBGD CNS(=O)(=O)CC(=O)NNc1ccccc1 747989345 UXOCMAVEYLBEGR-UHFFFAOYSA-N 243.288 -0.321 50 20 BBGD O=C(NN=c1cc[nH]cc1)c1cn[nH]c1 780759184 AVQZPRRHDHMYEF-UHFFFAOYSA-N 203.205 -0.017 50 20 BBGD CC(CCCO)=NNC(=O)CN1CCCC1=O 814761399 VQGLVGXWVMAMSD-UHFFFAOYSA-N 241.291 -0.127 50 20 BBGD C[C@@H](CO)N(C)NC(=O)[C@@H]1CCCCO1 823946238 GEKJSULQYQVSTM-IUCAKERBSA-N 216.281 -0.101 50 20 BBGD C[C@@]1(CNC(=O)C(N)=O)C[C@@H]1Br 824805534 UGKHARDRPRKMDD-FFWSUHOLSA-N 235.081 -0.239 50 20 BBGD CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)NN 825645106 PPHPEOLPPAWZNH-BYPYZUCNSA-N 227.186 -0.321 50 20 BBGD NNC(=O)[C@@]1(c2ccccc2)CCC(=O)NC1 848416976 GEFUHAHUKQDYJP-LBPRGKRZSA-N 233.271 -0.176 50 20 BBGD CNC(=S)N(C)NC(=O)C1(C)COC1 854923051 YEIDKGITZHOMGZ-UHFFFAOYSA-N 217.294 -0.510 50 20 BBGD O=C(COC(F)F)NNC(=O)c1cc[nH]n1 855355609 BLYSIXMHKKJNCR-UHFFFAOYSA-N 234.162 -0.590 50 20 BBGD O=C(CO)NNC(=O)OCC(F)(F)F 856022326 YYOVSCVGWJEKSU-UHFFFAOYSA-N 216.115 -0.702 50 20 BBGD Cc1cc(NNC(=O)[C@@H]2CCCNC2=O)ncn1 896383073 LPVFDEHCXADRLP-MRVPVSSYSA-N 249.274 -0.246 50 20 BBGD CCC[C@](C)(O)C(=O)NN(C)C[C@H](C)O 910161367 XYNYOCUSDPBNGQ-WPRPVWTQSA-N 218.297 -0.119 50 20 BBGD O=C(NC[C@H]1COCO1)NNc1cccnn1 923852916 FHAKUMDBFYQDGN-ZETCQYMHSA-N 239.235 -0.524 50 20 BBGD CNC(=O)NNC(=O)[C@@H](C)Cc1cnc[nH]1 1118308121 AWTGDAHSINZDHP-LURJTMIESA-N 225.252 -0.452 50 20 BBGD O=C(CCCF)N1CC[C@H](B(O)O)C1 1118916848 XQLDQMFMRNTADO-ZETCQYMHSA-N 203.022 -0.189 50 20 BBGD O=C(CCc1nc[nH]n1)NNC(=O)c1ccc[nH]1 1318957765 ZXJVEUMKSVORRD-UHFFFAOYSA-N 248.246 -0.473 50 20 BBGD CNC(=O)NNC(=O)CCc1ncc[nH]1 1325292068 YOKIWLPBAACIOC-UHFFFAOYSA-N 211.225 -0.698 50 20 BBGD NNC(=O)c1cnn([C@H]2CCCNC2)c1 1325999893 ROUHKLOZBIOTKE-QMMMGPOBSA-N 209.253 -0.589 50 20 BBGD CCOCCC(=O)N1CC[C@@H](B(O)O)C1 1329215032 MLERCLPOICWAFM-MRVPVSSYSA-N 215.058 -0.512 50 20 BBGD CCn1nncc1C(=O)NNc1ccncn1 1334804091 WJDBENVJMCCWJC-UHFFFAOYSA-N 233.235 -0.155 50 20 BBGD NCCCCC(=O)NNC(=O)c1cccnn1 1574087900 WCAKZSOBKZRMNB-UHFFFAOYSA-N 237.263 -0.633 50 20 BBGD O=C(NN[C@@H](C(=O)O)C1CC1)c1cnccn1 1601557855 XHZLBYCZORFSHG-MRVPVSSYSA-N 236.231 -0.426 50 20 BBGD CN(C)CC(=O)NNC(=O)[C@@H]1[C@H]2CCC[C@H]21 248370351 XJOYVGNHPFJYLD-MBTKJCJQSA-N 225.292 -0.259 50 20 BBGD CC(C)(O)C(=O)NNc1nc2ccccn2n1 277080060 KMFDGXZBMTVXMA-UHFFFAOYSA-N 235.247 -0.057 50 20 BBGD COC(=O)NNC(=O)[C@H](C(C)C)N(C)C 496972858 HOKJOOMTBBNCKS-ZETCQYMHSA-N 217.269 -0.040 50 20 BBGD COCC1(C(=O)N2CC[C@@H](B(O)O)C2)CCC1 585067269 VTTRLZBNBUXGCQ-SECBINFHSA-N 241.096 -0.122 50 20 BBGD COc1cc(C)nc(NNC(=O)c2cnn[nH]2)n1 746623252 IAAMSCVHYOCYHM-UHFFFAOYSA-N 249.234 -0.331 50 20 BBGD C[C@@H](C(=O)NNc1ccccn1)S(C)(=O)=O 777475224 SINMPLVAVKHXNQ-ZETCQYMHSA-N 243.288 -0.042 50 20 BBGD CCc1occc1C(=O)NNC(=O)CO 798114142 SYTCEGYQOKCJRZ-UHFFFAOYSA-N 212.205 -0.405 50 20 BBGD CN(NC(=O)[C@@](C)(C#N)CC(=O)O)C(N)=O 820607751 SWWYYEMPDYPXBN-MRVPVSSYSA-N 228.208 -0.967 50 20 BBGD CCN(CCO)NC(=O)Cc1ccn(C)n1 823874200 NXHHPCLATXBCBV-UHFFFAOYSA-N 226.280 -0.692 50 20 BBGD Cc1n[nH]c(C)c1CC(=O)NN(C)[C@H](C)CO 823983685 ZHQAYLJXOPMPLD-SSDOTTSWSA-N 240.307 -0.087 50 20 BBGD CC(F)(F)C(=O)NNC(=O)CCCN 857764709 YAXNUMHXQGBPFV-UHFFFAOYSA-N 209.196 -0.472 50 20 BBGD CN(NC(=O)c1cc(O)ncn1)C1CC1 862038218 YOYJEHJMJRJBOL-UHFFFAOYSA-N 208.221 -0.079 50 20 BBGD COC[C@@H](CNC(=O)NN(C)C(=O)OC)OC 875474546 BGGKCDABKGIXHH-SSDOTTSWSA-N 249.267 -0.440 50 20 BBGD C[C@@H](O)CN(C)NC(=O)[C@H](O)C1CC1 910157619 RRKPBLLJGVKYSC-HTRCEHHLSA-N 202.254 -0.899 50 20 BBGD C[C@@H](O)CN(C)NC(=O)[C@@H]1C[C@H]2CC[C@H]1O2 910168646 VBMFKIQPDQEWDZ-ZYUZMQFOSA-N 228.292 -0.102 50 20 BBGD CC(C)NC(=O)NNC(=O)[C@H]1CCC(=O)N1C 930996555 OSVVJHYPIOKOMP-SSDOTTSWSA-N 242.279 -0.654 50 20 BBGD O=C(NN=c1cc[nH]cc1)C1(O)CCOCC1 1116669445 CQOMNRHANGPARI-UHFFFAOYSA-N 237.259 -0.512 50 20 BBGD NC(=O)C(=O)NN=Cc1ccc([N+](=O)[O-])s1 1320108397 DRLVJTPTCHISNS-UHFFFAOYSA-N 242.216 -0.408 50 20 BBGD CN(NC(=O)[C@H]1CCn2cncc2C1)C(N)=O 1342119436 RLVMJTTXBXBJSC-ZETCQYMHSA-N 237.263 -0.513 50 20 BBGD CN(N)C(=O)c1ccc(F)c(S(N)(=O)=O)c1 1573882328 DXRDAVPJWCKDOF-UHFFFAOYSA-N 247.251 -0.581 50 20 BBGD CNC(=O)NNC(=O)[C@]12C[C@H]1CCCN2 1578557527 JJMUNBOOSKWLBM-MUWHJKNJSA-N 212.253 -0.911 50 20 BBGD CNC(=O)CNS(=O)(=O)CBr 127010900 DCPYWVYPUUBYQL-UHFFFAOYSA-N 245.098 -0.996 50 20 BBGD O=C(CO)NNC(=O)Cc1ccccc1F 180958377 PFAUISJJNYGBKN-UHFFFAOYSA-N 226.207 -0.492 50 20 BBGD COC(=O)[C@@H]1C[C@@H]1C(=O)NNC(=O)C1CCC1 264786627 RDSUNMROSHTHEG-JGVFFNPUSA-N 240.259 -0.257 50 20 BBGD COC(=O)NNC(=O)c1c[nH]cc(C)c1=O 495407553 LJPCLFUFBACLJO-UHFFFAOYSA-N 225.204 -0.316 50 20 BBGD CCc1ccc(C(=O)NCB(O)O)cc1 585057409 UCURGNXDYXFXGC-UHFFFAOYSA-N 207.038 -0.009 50 20 BBGD CCOC(=O)NNC(=O)c1ccn(C)n1 727364467 OMNSLSIGSUJMDF-UHFFFAOYSA-N 212.209 -0.189 50 20 BBGD CN1CCCC[C@@H]1C(=O)NNC(=O)NC1CC1 737816039 AOSJCUWVFQOAHR-SECBINFHSA-N 240.307 -0.037 50 20 BBGD CCC(=O)NNC(=O)[C@H](C)N1CC[C@H](OC)C1 752327446 SZGCWRCVHMLPMZ-IUCAKERBSA-N 243.307 -0.347 50 20 BBGD COc1cccc(NC(=O)NNC(=O)CO)c1 755328253 HQRWPHSVJZPWMO-UHFFFAOYSA-N 239.231 -0.160 50 20 BBGD CN(C)CC(=O)NN=C1CCN2CCC[C@H]12 765570874 CTFIHOUKILASHQ-SNVBAGLBSA-N 224.308 -0.112 50 20 BBGD CC(C)(O)C(=O)NNC(=O)[C@H]1CCCO1 768243843 GTGWVWHAGOHJIX-ZCFIWIBFSA-N 216.237 -0.916 50 20 BBGD CC(=NNC(N)=O)C1CCS(=O)(=O)CC1 777419210 WIYFECJYGLMYGC-UHFFFAOYSA-N 233.293 -0.145 50 20 BBGD CC(C)NC(=O)C(=O)NNC(=O)[C@@H](F)C(C)C 784142236 ADROJJUPXFDSLK-ZETCQYMHSA-N 247.270 -0.348 50 20 BBGD COCCN(C)NC(=O)C(OC)OC 822844036 YCWWIBWZEBFSGI-UHFFFAOYSA-N 206.242 -0.785 50 20 BBGD C=C[C@@](C)(O)C(=O)NNC(=O)NCC1CC1 823804588 REJDCFMEZHJHBZ-SNVBAGLBSA-N 227.264 -0.336 50 20 BBGD C=C[C@@](C)(O)C(=O)NN(C)[C@H](C)CO 823917006 CJYCCXBPIHDONQ-VXNVDRBHSA-N 202.254 -0.733 50 20 BBGD CC(C)[C@@H](C(=O)NN)N1CCCS1(=O)=O 825644893 KEKNDETVLWXVRL-ZETCQYMHSA-N 235.309 -0.964 50 20 BBGD CCOCC(=O)NNC(=O)N[C@@H](C)C[C@H](C)N 831212159 MCWLZCQVFLLYKV-YUMQZZPRSA-N 246.311 -0.521 50 20 BBGD CCNC(=O)N(C)NC(=O)C[C@H](C)N 831944654 DYTHTVCPJIXUMB-LURJTMIESA-N 202.258 -0.584 50 20 BBGD COCCCC(=O)NNC(=O)[C@@H]1CCO[C@H]1C 843645586 MZSDNCOFQUFLBJ-DTWKUNHWSA-N 244.291 -0.015 50 20 BBGD CCC(CC)(CO)C(=O)NNC(=O)NC 847383129 BOBFPEDEAVDLOB-UHFFFAOYSA-N 217.269 -0.255 50 20 BBGD CC(C)(CO)C(=O)NNC(=O)NCC1CC1 847390678 ITLURCRNFROAJO-UHFFFAOYSA-N 229.280 -0.255 50 20 BBGD CC[C@H](CO)C(=O)NNC(=O)c1cn[nH]c1 862471319 ZRMQQJUPGWVADZ-ZCFIWIBFSA-N 226.236 -0.811 50 20 BBGD COC(=O)NCC(=O)NN=c1cc[nH]c(C)c1 862510821 UPZFFNCRQWEYOG-UHFFFAOYSA-N 238.247 -0.389 50 20 BBGD C[C@@H]1CC(=NNC(=O)[C@@H]2CCC(=O)N2)[C@@H](C)O1 863149558 BZVAJQBGXFKAQQ-PRJMDXOYSA-N 239.275 -0.066 50 20 BBGD O=C(O)C1CC(NS(=O)(=O)CCl)C1 871638154 WWBHVURVZLDAGV-UHFFFAOYSA-N 227.669 -0.035 50 20 BBGD CCNC(=O)NNC(=O)COCC1CC1 920858356 CPWKIXLGKYUHDK-UHFFFAOYSA-N 215.253 -0.237 50 20 BBGD O=C(NNC(=O)[C@]1(F)CCOC1)c1ccc[nH]1 1117703046 SKHFJNQFRBMVAQ-JTQLQIEISA-N 241.222 -0.096 50 20 BBGD CC(C)C(=O)NNC(=O)NCCC[S@@](C)=O 1122090221 JJGVOGOGQKKZLC-MRXNPFEDSA-N 249.336 -0.259 50 20 BBGD CC(C)C(=O)NNC(=O)[C@H]1CCNC(=O)C1 1253591495 KRPOGYWWDFAKHG-ZETCQYMHSA-N 227.264 -0.684 50 20 BBGD COCCOCCC(=O)NNC(=O)N(C)C 1318042895 HULNGOVELRZLOK-UHFFFAOYSA-N 233.268 -0.658 50 20 BBGD CCNC(=O)N(C)NS(=O)(=O)c1cnc[nH]1 1320665667 DMZHWENYUNMJCI-UHFFFAOYSA-N 247.280 -0.736 50 20 BBGD Cc1ncc(C(=O)NNC(=O)NC2CC2)[nH]1 1323003315 MLGPBRJCWFJMFT-UHFFFAOYSA-N 223.236 -0.175 50 20 BBGD Cc1nonc1CC(=O)NNC(=O)C1CC1 1329614426 BAFQSKVANPTLTI-UHFFFAOYSA-N 224.220 -0.522 50 20 BBGD COC(=O)NNC(=O)c1ccc(C(=O)O)cn1 1593858733 VQKYSTLFUJNIAV-UHFFFAOYSA-N 239.187 -0.219 50 20 BBGD COC(=O)CN(CC(=O)OC)C(=O)CCl 61876596 JJBODVGYXGAIKF-UHFFFAOYSA-N 237.639 -0.600 50 20 BBGD COC(=O)Cc1ccc2oc(B(O)O)cc2c1 205049581 BPBVEIGPYKTPED-UHFFFAOYSA-N 234.016 -0.172 50 20 BBGD O=C(NNc1nnc[nH]1)[C@@H]1CCCCO1 293787502 CIEDAIWJCIOMNT-LURJTMIESA-N 211.225 -0.183 50 20 BBGD CCC1(C(=O)NNC(=O)OC)COC1 765856091 KXNUTAOFOGCWSJ-UHFFFAOYSA-N 202.210 -0.200 50 20 BBGD CC(C)(O)C(=O)NNC(=O)c1ncccn1 768241339 MFLBBWMEHIDEKM-UHFFFAOYSA-N 224.220 -0.992 50 20 BBGD CCO[C@@H](CC)C(=O)NNC(=O)C(C)(C)O 768242169 ZUJJRLGTLHLGCW-ZETCQYMHSA-N 232.280 -0.280 50 20 BBGD CCNC(=O)N(C)NC(=O)CN1CCOCC1 780712104 XPHLIVWXDVAURA-UHFFFAOYSA-N 244.295 -0.989 50 20 BBGD CCNC(=O)N(C)NC(=O)[C@@]1(C)CCNC1=O 821783224 DQDOCCMHPFRNNO-JTQLQIEISA-N 242.279 -0.795 50 20 BBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)C1(O)CCC1 843970779 LEHWQTCXSXGPAR-YUMQZZPRSA-N 242.275 -0.526 50 20 BBGD COCCN(C)NC(=O)CCc1ncc[nH]1 848378494 UIFNCMXPFLPNKE-UHFFFAOYSA-N 226.280 -0.048 50 20 BBGD CS(=O)(=O)CC(=O)NNC(=O)CCC1CC1 863463644 PPXUOTSUOKBJPS-UHFFFAOYSA-N 248.304 -0.631 50 20 BBGD C#CCSCC(=O)NNc1cnnn1C 897846656 MGISMXOXXVYUPD-UHFFFAOYSA-N 225.277 -0.375 50 20 BBGD C[C@H](O)CN(C)NC(=O)Cc1ccncc1 910175608 PWYLRYRBGIIGHO-VIFPVBQESA-N 223.276 -0.032 50 20 BBGD CC[C@]1(C(=O)NN(C)C[C@H](C)O)CCNC1=O 910182716 IVVIFXZQPIIIPG-KWQFWETISA-N 243.307 -0.754 50 20 BBGD Cc1ncccc1C=NNC(=O)C(N)=O 1318279704 BNZYYDFLJYUCNA-UHFFFAOYSA-N 206.205 -0.675 50 20 BBGD O=C1CC[C@@H](C(=O)NNC(=O)c2ccnnc2)C1 1328569534 VAEXGELKQLALJB-SSDOTTSWSA-N 248.242 -0.393 50 20 BBGD O=C(NNC(=O)[C@@H]1CCOC1)C1CCOCC1 1331947463 DSENNKNSMNMXKH-SECBINFHSA-N 242.275 -0.403 50 20 BBGD COC(=O)NNC(=O)c1n[nH]cc1[N+](=O)[O-] 1338023806 PMFIUFXKZYMTEW-UHFFFAOYSA-N 229.152 -0.681 50 20 BBGD C[C@H](CO)N(C)NC(=O)C1(F)CCOCC1 1352230160 NKYMMRMOQKVPOY-MRVPVSSYSA-N 234.271 -0.151 50 20 BBGD C[C@H](O)CN(C)NC(=O)[C@@H](C)C(=O)O 1589151763 BNKAQSCIXQOONB-NTSWFWBYSA-N 204.226 -0.949 50 20 BBGD CCO/C=C/C(=O)NNC(=O)N1CCOCC1 493070727 MNTKPAMELXIMQA-ZZXKWVIFSA-N 243.263 -0.390 50 20 BBGD CC[C@H](O)CCNCc1ccc(B(O)O)cc1 585029127 VUMLMQLRMABWFF-LBPRGKRZSA-N 237.108 -0.383 50 20 BBGD OB(O)c1ccc(CN[C@@H]2CCOC2)cc1 585030254 QAJHZASUPARMBJ-LLVKDONJSA-N 221.065 -0.755 50 20 BBGD OC[C@@H](CCF)NCc1ccc(B(O)O)cc1 585045597 JURDGWVEFZAKQC-LLVKDONJSA-N 241.071 -0.824 50 20 BBGD CCC(=NNC(=O)CO)c1ccn(C)n1 758125612 FICFOMQJRCQDMX-UHFFFAOYSA-N 210.237 -0.357 50 20 BBGD CN(NC(=O)COC1(C)CCC1)C(N)=O 778412278 QEJAODWNJLXDAU-UHFFFAOYSA-N 215.253 -0.013 50 20 BBGD COc1nccnc1NNC(=O)CC1COC1 791225356 MGABDTRBEDCNGJ-UHFFFAOYSA-N 238.247 -0.035 50 20 BBGD CO[C@H](C(=O)NNC(=O)NC1CC1)C1CC1 792083722 OFQQVPOCRFQCKJ-QMMMGPOBSA-N 227.264 -0.096 50 20 BBGD CC(C[C@@H]1CCC(=O)N1)=NNC(=O)CO 811647024 UKHYBZFMDVIRSO-ZETCQYMHSA-N 213.237 -0.861 50 20 BBGD C[C@H](CO)N(C)NC(=O)CN1CCCC1 823939998 SUDSCWQKCYRGHU-SECBINFHSA-N 215.297 -0.574 50 20 BBGD C[C@@H](CO)N(C)NC(=O)[C@@H](C)n1cccn1 823965151 JIDAAYZGCJDKGP-DTWKUNHWSA-N 226.280 -0.212 50 20 BBGD C=C[C@@H](O)C(=O)NN(C)C(=O)NCC 831853597 DUTGNYOPJOGZOP-ZCFIWIBFSA-N 201.226 -0.774 50 20 BBGD CO[C@H]1CN(S(=O)(=O)CCl)CCO1 859125147 XPSJNTGUZCTZRG-ZCFIWIBFSA-N 229.685 -0.183 50 20 BBGD COC(=O)N(C)NC(=O)[C@H]1CCCNC1=O 868240998 MOWUPMQWAYTARM-LURJTMIESA-N 229.236 -0.758 50 20 BBGD CCNC(=O)N(C)NC(=O)Cc1cnc[nH]1 907252775 KAZHUULSLHRILR-UHFFFAOYSA-N 225.252 -0.355 50 20 BBGD C[C@@H](C(=O)NNC(=O)C(C)(C)O)n1cccc1 1116802639 ZOCQDVLDSNLDGX-QMMMGPOBSA-N 239.275 -0.033 50 20 BBGD CCO/C=C(/C#N)C(=O)NCc1nc(=O)o[nH]1 1254032996 DYJMWSFDNOETHO-WAYWQWQTSA-N 238.203 -0.577 50 20 BBGD CC(=NNC(=O)[C@H]1CCC(=O)N1)c1cn(C)cn1 1261895066 UBGZHNJQYRILTJ-MRVPVSSYSA-N 249.274 -0.461 50 20 BBGD Nc1ncccc1C=NNC(=O)[C@H]1CCC(=O)N1 1331723022 PLYPOSVWWWAMNR-MRVPVSSYSA-N 247.258 -0.608 50 20 BBGD C[C@@H](O)CN(C)NC(=O)CCc1cncn1C 1354057714 LMATXBGSFHHNFF-SECBINFHSA-N 240.307 -0.304 50 20 BBGD CN(NC(=O)[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1N)C(N)=O 1578506601 UKZJBTMZWWUIRZ-HSNKUXOKSA-N 226.280 -0.599 50 20 BBGD C[C@H](C(=O)O)C(=O)NNC(=O)c1ccoc1 1602805390 SQZCUVBUKRQDMZ-YFKPBYRVSA-N 226.188 -0.239 50 20 BBGD Cn1nccc1C(=O)NNC(=O)C1CCC1 264778441 PVOUBTIWCOUSOJ-UHFFFAOYSA-N 222.248 -0.019 50 20 BBGD CC1(C)COC[C@@H]1NCc1ccc(B(O)O)o1 585044861 WIXTZCMTEWBLOY-VIFPVBQESA-N 239.080 -0.526 50 20 BBGD C[C@H](Oc1ccc(F)cc1)C(=O)NCB(O)O 585057802 KWUHOGPMTATVLM-ZETCQYMHSA-N 241.027 -0.279 50 20 BBGD O=C(O)NCCC(=O)NNC(=O)c1ccoc1 739938663 VEJAYPUWGYLJFV-UHFFFAOYSA-N 241.203 -0.302 50 20 BBGD CO[C@@H](C)CC(=O)NNC(=O)N1CCOCC1 749599084 JPQMXMFHSFOCKD-QMMMGPOBSA-N 245.279 -0.516 50 20 BBGD COC[C@@](C)(O)C(=O)NNc1ccccn1 777473369 DFMQSOCZPMRUOR-SNVBAGLBSA-N 225.248 -0.078 50 20 BBGD COCCCNC(=O)/C(C#N)=C/c1cnn(C)n1 821031757 NGGBYNIOBZLMSX-RMKNXTFCSA-N 249.274 -0.125 50 20 BBGD O=C(CN1CC[C@@H](CF)C1)NNC(=O)C1CC1 880297830 ULVDYPMSCLWSMR-QMMMGPOBSA-N 243.282 -0.165 50 20 BBGD CC(C)C[C@@H](C(N)=O)C(=O)NN(C)C[C@H](C)O 910147867 VTQLBLZNKBHACY-IUCAKERBSA-N 245.323 -0.522 50 20 BBGD CC(=O)NCC(=O)NNC(=O)C1CCCC1 914843826 BXQGZRSKFTWRDL-UHFFFAOYSA-N 227.264 -0.540 50 20 BBGD CC(=O)CSCC(=O)NN(C)C(N)=O 1116845301 OYFUBTHHKFVOGY-UHFFFAOYSA-N 219.266 -0.650 50 20 BBGD CCNC(=O)N(C)NC(=O)c1cccc(N)n1 1118201969 NBDYNTYFEYTZOY-UHFFFAOYSA-N 237.263 -0.030 50 20 BBGD COC(=O)C(=O)NNC(=O)NCC1CC=CC1 1119216944 VSSFACZMAFUKSH-UHFFFAOYSA-N 241.247 -0.544 50 20 BBGD COc1cncc(C(=O)NNC(=O)N(C)C)n1 1320688067 XJTDETKXYXRHEA-UHFFFAOYSA-N 239.235 -0.599 50 20 BBGD COC(=O)NNC(=O)c1c[nH]nc1[N+](=O)[O-] 1321288157 PODXSSFLLZHONL-UHFFFAOYSA-N 229.152 -0.681 50 20 BBGD Cc1ncsc1C=NNC(=O)C(N)=O 1322140094 CWTFOOFQHOYNEI-UHFFFAOYSA-N 212.234 -0.613 50 20 BBGD CC[C@@H](C)CONC(=O)NNC(=O)C(=O)OC 1330174643 NVZWQYZWKXLWFB-ZCFIWIBFSA-N 247.251 -0.533 50 20 BBGD COCCOCC(=O)NNC(=O)CCC(C)=O 1335742827 XYKDZFMNTLRRME-UHFFFAOYSA-N 246.263 -0.834 50 20 BBGD CCNC(=O)N(C)NC(=O)[C@@H](CC)CN 1574076341 FAOFYILCURUGPL-ZETCQYMHSA-N 216.285 -0.336 50 20 BBGD CCCn1cc(C(=O)NNC(=O)CO)cn1 182761620 ITKPRMWJKWIKGO-UHFFFAOYSA-N 226.236 -0.954 50 20 BBGD COc1cccc(C=NNC(=O)C(N)=O)c1 254394664 JBCRMHPNEPDHAF-UHFFFAOYSA-N 221.216 -0.369 50 20 BBGD COC(=O)C[C@H](C)C(=O)NNC(=O)C1CC1 268174696 RDBGBVSBJVVOPA-LURJTMIESA-N 228.248 -0.257 50 20 BBGD O=C(CC1CC1)NNC(=O)c1cn[nH]c1 294090266 ILCXFHHQUQJYDU-UHFFFAOYSA-N 208.221 -0.029 50 20 BBGD CCO/C=C/C(=O)NNC(=O)C(C)(C)O 493300113 HVMQWXQMFWSWPF-AATRIKPKSA-N 216.237 -0.545 50 20 BBGD COC(=O)NNC(=O)[C@@H]1CCc2n[nH]cc2C1 495326175 HJAXSYSGFPKJQV-ZCFIWIBFSA-N 238.247 -0.098 50 20 BBGD CC[C@H](COC)NCc1ccc(B(O)O)cc1 585024833 DXIHJIPNVZZUTI-GFCCVEGCSA-N 237.108 -0.119 50 20 BBGD COC[C@H](NCc1ccc(B(O)O)o1)C1CC1 585029875 KSQBOVXSJKTKSJ-JTQLQIEISA-N 239.080 -0.526 50 20 BBGD CC[C@H](NCc1ccccc1B(O)O)[C@H](C)O 585044096 YPGHMEAASDQJCK-CABZTGNLSA-N 237.108 -0.385 50 20 BBGD O=C(NCB(O)O)c1cccc2c1CCC2 585056595 ZARZNCAMXMSWFP-UHFFFAOYSA-N 219.049 -0.083 50 20 BBGD CC(=O)NNC(=O)c1ccc2c(c1)nnn2C 729510061 QHAOSFJXZRBAIL-UHFFFAOYSA-N 233.231 -0.251 50 20 BBGD CC(C)c1ncc(S(=O)(=O)NNC(=O)O)[nH]1 736525186 UWONLAXNWAKZES-UHFFFAOYSA-N 248.264 -0.006 50 20 BBGD COC[C@H](C)CC(=O)NNC(=O)N(C)C 755255083 NEHBPMDXQVEYLR-SSDOTTSWSA-N 217.269 -0.039 50 20 BBGD CC[C@H]1CC[C@@H](C(=O)NNC(=O)CN(C)C)O1 757383465 ONLLJHNHMQLHHP-IUCAKERBSA-N 243.307 -0.347 50 20 BBGD CNC(=O)NNC(=O)CC[C@H](C)OC 782588144 PUXSTJIJTVFVLF-LURJTMIESA-N 203.242 -0.238 50 20 BBGD CS(=O)(=O)[C@H]1CCCC(=NNC(N)=O)C1 788407932 IFURXFXHCBNOFX-ZETCQYMHSA-N 233.293 -0.002 50 20 BBGD CCNC(=O)NNC(=O)[C@H]1CCCC(=O)N1 799581594 CYLIMJNHJNXRAE-ZCFIWIBFSA-N 228.252 -0.995 50 20 BBGD Cn1ccc(CC(=O)NNC(=O)CC2CC2)n1 819131752 OGNCXPNTELZKEE-UHFFFAOYSA-N 236.275 -0.090 50 20 BBGD COCCCOCC(=O)NN(C)[C@H](C)CO 823939009 DUVCXLRSPXYDSP-SECBINFHSA-N 234.296 -0.617 50 20 BBGD CNC(=O)NN=C(C)c1cn(CC(=O)O)nn1 831001097 VGFRCPSQMFLRRP-UHFFFAOYSA-N 240.223 -0.984 50 20 BBGD CC[C@H](C(=O)NN(C)CCOC)N(C)C 837626434 KWGFPOXHGWUYRD-SECBINFHSA-N 217.313 -0.064 50 20 BBGD CNC(=S)N(C)NC(=O)[C@H]1CCO[C@H]1C 854922463 LUYAAZZVOSWCGL-BQBZGAKWSA-N 231.321 -0.121 50 20 BBGD CNC(=S)N(C)NC(=O)C1=COCCO1 854929222 BNYRXVYUDFDDHW-UHFFFAOYSA-N 231.277 -0.658 50 20 BBGD CNC(=O)C[C@H](C)NC(=O)NN(C)C(=O)OC 875646068 BXUGTEKHIBKKFF-LURJTMIESA-N 246.267 -0.577 50 20 BBGD C[C@@H](O)CN(C)NC(=O)Cc1ccncc1 910175607 PWYLRYRBGIIGHO-SECBINFHSA-N 223.276 -0.032 50 20 BBGD C[C@@H](C(=O)NN)S(=O)(=O)c1ccc(F)cc1 917940265 AHMKAXGMINNOCE-LURJTMIESA-N 246.263 -0.022 50 20 BBGD CC[C@@](C)(O)C(=O)NNC(=O)N(C)C 931120184 XRQBVJQQMPDKES-MRVPVSSYSA-N 203.242 -0.550 50 20 BBGD CN(NC(=O)CCCn1cncn1)C(N)=O 1262154446 GZQUIJBQFLRUHJ-UHFFFAOYSA-N 226.240 -0.900 50 20 BBGD CN1C(=O)CC[C@@H]1C(=O)NNc1cccnn1 1324445391 XIWHCNDIGAZVMK-SSDOTTSWSA-N 235.247 -0.460 50 20 BBGD C[C@H](NC(=O)NNC(=O)CCO)C(F)(F)F 1328060514 BCRHSQLNYWLAIK-BYPYZUCNSA-N 243.185 -0.350 50 20 BBGD Cn1ccc(NNC(=O)[C@H]2CCCNC2=O)n1 1332815445 YIUQFSGVEHADOY-ZETCQYMHSA-N 237.263 -0.611 50 20 BBGD Cc1noc(C)c1CC(=O)NN(C)C(N)=O 1337366763 UFBXYHMFJPEBEV-UHFFFAOYSA-N 226.236 -0.124 50 20 BBGD CC(C)NC(=O)NNC(=O)C(C)(C)C(=O)O 1603068410 KVUVDSMHPFGNGS-UHFFFAOYSA-N 231.252 -0.164 50 20 BBGD COCCOCCC(=O)NNC(=O)NC1CC1 49144723 NPVAUAHQEKTVGT-UHFFFAOYSA-N 245.279 -0.468 50 20 BBGD Cc1cnc(C(=O)NNC(=O)CN(C)C)cn1 75653090 PACKINWOJNDIAL-UHFFFAOYSA-N 237.263 -0.892 50 20 BBGD CN1CCC(O)(CNC(=O)CCl)CC1 307115742 OAOJDIWPYBMINI-UHFFFAOYSA-N 220.700 -0.202 50 20 BBGD CC(C)C(=O)NN=Cc1cnc(=N)[nH]c1 380100717 POOYVUMWFPLOSH-UHFFFAOYSA-N 207.237 -0.005 50 20 BBGD CC[C@@H](C(=O)NNC(=O)OC)N1CCCC1=O 495406815 FZGKPCGPWRHDLD-ZETCQYMHSA-N 243.263 -0.225 50 20 BBGD COC[C@@H](NCc1ccc(B(O)O)o1)C(C)C 585027984 FMXBSQDPSJVNDB-SNVBAGLBSA-N 241.096 -0.280 50 20 BBGD CC(C)C(=O)NNC(=O)[C@@H](O)c1cccnc1 732259708 IMEODKOSMLZAQD-VIFPVBQESA-N 237.259 -0.082 50 20 BBGD CSC1(C=NNC(=O)C(N)=O)CCC1 800805560 SFWKLXGQMAWSQM-UHFFFAOYSA-N 215.278 -0.141 50 20 BBGD CCC(=O)NNC(=O)[C@@H](C)N(C)CCC(=O)O 818126011 AMONTJYGLOMPBU-SSDOTTSWSA-N 245.279 -0.661 50 20 BBGD CCO/C=C(/C#N)C(=O)N[C@@H](CO)CN(C)C 819824755 MWTPFJNBZNCMCR-HSTULFTRSA-N 241.291 -0.531 50 20 BBGD C[C@H](O)CN(C)NC(=O)Cn1cc(Cl)cn1 823718801 CADLCHSDWAKDAT-ZETCQYMHSA-N 246.698 -0.120 50 20 BBGD NC(=O)[C@@H]1CC[C@H]1C(=O)NNC(=O)CC1CC1 848144579 XJZYHNPJYJAMEG-HTQZYQBOSA-N 239.275 -0.555 50 20 BBGD COC[C@@H](OC)C(=O)NN(C)C1CC1 854983754 SCEHBQCAPIOWGD-MRVPVSSYSA-N 202.254 -0.227 50 20 BBGD C=C[C@H](O)C(=O)NNC(=S)N[C@@H](C)C1CC1 855097183 KVXYBKOOFNBNTQ-XPUUQOCRSA-N 243.332 -0.173 50 20 BBGD CC[C@@H](NC(C)=O)C(=O)NNc1cnccn1 867493889 RDRDHJWSOSWEPM-MRVPVSSYSA-N 237.263 -0.166 50 20 BBGD C#CCCCC(=O)NNC(=O)C1=COCCO1 887139467 QGDUGEDKGIELDY-UHFFFAOYSA-N 238.243 -0.175 50 20 BBGD N[C@H](CC(=O)NNc1ncccn1)C(F)F 912380867 DEVNYOJJJXNXFA-RXMQYKEDSA-N 231.206 -0.098 50 20 BBGD C[C@@H](CS(C)(=O)=O)NC=C(C#N)C#N 1116057933 QUWYQNFVPOAGFR-ZETCQYMHSA-N 213.262 -0.060 50 20 BBGD COC(=O)C(=O)NN=Cc1cccc(C(N)=O)c1 1116384416 XKPLTPYMROVRGX-UHFFFAOYSA-N 249.226 -0.591 50 20 BBGD CCc1nc(C(=O)NNC(=O)NC)co1 1116554942 KEEKVLKWGUXYEZ-UHFFFAOYSA-N 212.209 -0.189 50 20 BBGD CN1CCN(CC(=O)N2CC=C(C#N)CC2)CC1 1320053550 NBIQRWGAVCCKLG-UHFFFAOYSA-N 248.330 -0.084 50 20 BBGD CCNC(=O)NNC(=O)[C@]1(C)C[C@@H](N)CCO1 1577793899 VUWDBEYKUBAHSP-XVKPBYJWSA-N 244.295 -0.767 50 20 BBGD C[C@H](O)CN(C)NC(=O)C1(C(=O)O)CC1 1589151745 AWPZBDQTZSPNLF-LURJTMIESA-N 216.237 -0.805 50 20 BBGD C[C@H](O)C(=O)NNc1ccc(C(=O)O)cn1 1599903368 KNRMSUTUMMVJOP-YFKPBYRVSA-N 225.204 -0.396 50 20 BBGD CC(C)(O)C(=O)NNc1ccc(C(=O)O)cn1 1603686977 ZVRQLDZDBBUXGK-UHFFFAOYSA-N 239.231 -0.006 50 20 BBGD COCC(=O)NNC(=O)c1cccc(C#N)c1 103402410 UQWQLZLFFZFCCI-UHFFFAOYSA-N 233.227 -0.034 50 20 BBGD N#Cc1csc(C(=O)NNC(=O)CO)c1 182753644 VDQHIASMLCTPQW-UHFFFAOYSA-N 225.229 -0.627 50 20 BBGD CCN1CCN(CCNC(=O)CCl)CC1 229009726 WMPOZHXVICUAOA-UHFFFAOYSA-N 233.743 -0.021 50 20 BBGD CNC(=O)NNC(=O)[C@@H](C)CSC 264500100 LBOOQMGUVHNRKC-YFKPBYRVSA-N 205.283 -0.054 50 20 BBGD O=C(NNC(=O)C1CCC1)C1=COCCO1 264663464 DYORVZGQYFHLQN-UHFFFAOYSA-N 226.232 -0.178 50 20 BBGD COCCN(C)NC(=O)CCn1cccn1 288384602 JBVPSTKQPABLAY-UHFFFAOYSA-N 226.280 -0.117 50 20 BBGD CCO/C=C(\C#N)C(=O)NCC[C@@H](O)COC 490937519 DAOYWCZTBGYLAY-TTZKWOQHSA-N 242.275 -0.056 50 20 BBGD COC(=O)N(C)N=C1CCS(=O)(=O)C1 495678383 YPGPDQZTVHMCMU-UHFFFAOYSA-N 220.250 -0.141 50 20 BBGD C[C@@H](NCc1ccc(B(O)O)cc1)c1cn[nH]c1 585033362 BKLCTOBXVVKJCC-SECBINFHSA-N 245.091 -0.060 50 20 BBGD CS(=O)(=O)NNC(=O)c1cccc(C#N)c1 728853690 ZXKKSTCGFBIIHD-UHFFFAOYSA-N 239.256 -0.248 50 20 BBGD CNC(=O)NNC(=O)[C@@H]1C[C@H]2CC[C@H]1O2 733776454 RXMQLHJEOGOCOW-FSDSQADBSA-N 213.237 -0.486 50 20 BBGD CN(C)S(=O)(=O)NNC(=O)C1CCCC1 742028756 FQIMWDCGPLQZAT-UHFFFAOYSA-N 235.309 -0.396 50 20 BBGD COC(=O)CNC(=O)NN=C[C@H]1CCOC1 779820578 GANXDNNZEMDSDR-SSDOTTSWSA-N 229.236 -0.519 50 20 BBGD CNC(=O)C(=O)NNc1ccc([N+](=O)[O-])cc1 789708401 XUIWIWKFJQSLRR-UHFFFAOYSA-N 238.203 -0.216 50 20 BBGD CO[C@H](C(=O)NNC(=O)C1CC1)C1CC1 792014472 IKNWTERVWKFRLR-QMMMGPOBSA-N 212.249 -0.031 50 20 BBGD Cn1cnc(C=NNC(=O)c2cnn(C)c2)c1 794514696 MVKWCJIBLSCVCZ-UHFFFAOYSA-N 232.247 -0.083 50 20 BBGD Cc1n[nH]cc1C(=O)NN=C1C(=O)OC[C@@H]1C 794908104 IETKWMMEACISIG-YFKPBYRVSA-N 236.231 -0.003 50 20 BBGD CCN(CCO)NC(=O)[C@H](C)n1cccn1 823847687 ZOHFKJATEZUNJJ-VIFPVBQESA-N 226.280 -0.211 50 20 BBGD CCC(=O)NNC(=O)[C@H](C)NCC1(N)CCC1 843368023 LKGLFYQJPJXFNR-QMMMGPOBSA-N 242.323 -0.597 50 20 BBGD CCOCC(=O)NNC(=O)NC[C@@H](C)C(=O)O 848585756 OQJUQIQFDINHRR-ZCFIWIBFSA-N 247.251 -0.926 50 20 BBGD C[C@@H]1COC[C@@H]1NCc1cccc(B(O)O)c1 896733442 PMMRYGQEPLIEOZ-SKDRFNHKSA-N 235.092 -0.509 50 20 BBGD CSCC[C@@H](O)C(=O)NN(C)C[C@@H](C)O 910155610 OAXPNGPCJBUKGJ-HTQZYQBOSA-N 236.337 -0.556 50 20 BBGD Cn1cc(C(=O)NN=Cc2cnc[nH]2)cn1 1116378930 HOMHHBUWOKUUMJ-UHFFFAOYSA-N 218.220 -0.093 50 20 BBGD CCn1nc(C)c(C(=O)NN(C)C(N)=O)n1 1117718955 ZNXICPHJQDHSGQ-UHFFFAOYSA-N 226.240 -0.738 50 20 BBGD Cc1conc1NC(=O)NNC(=O)CCO 1254979713 GTIMERWRAPPIML-UHFFFAOYSA-N 228.208 -0.482 50 20 BBGD CON=CC(=O)NNC(=O)c1cccnc1 1256791528 HOTXGWVLORTTGX-UHFFFAOYSA-N 222.204 -0.525 50 20 BBGD COCC(=O)NNC(=S)NC[C@H]1CCOC1 1319496886 VDQIZYDYYZOKOR-SSDOTTSWSA-N 247.320 -0.835 50 20 BBGD O=C(CCl)N1CCO[C@H](c2nn[nH]n2)C1 1320465758 MANNNEAHNQXTCM-YFKPBYRVSA-N 231.643 -0.662 50 20 BBGD CC(C)NC(=O)NNC(=O)[C@H]1CCC(=O)NC1 1324632658 XOVQRUNAPBQHKT-ZETCQYMHSA-N 242.279 -0.749 50 20 BBGD CC#CCNC(=O)NNC(=O)[C@H]1CCO[C@H]1C 1325974857 HRAXJKARWGWYMX-IUCAKERBSA-N 239.275 -0.235 50 20 BBGD C[C@@H](O)CN(C)NC(=O)[C@]1(F)CCOC1 1333346823 GHPNIEPHMBLUBX-APPZFPTMSA-N 220.244 -0.541 50 20 BBGD CC(C)(O)C(=O)NNC(=O)c1cncs1 278044649 WFKYTWMYFFCSLY-UHFFFAOYSA-N 229.261 -0.325 50 20 BBGD OB(O)c1ccccc1CNCCC1(O)CCC1 585040942 BLKITZVIPOLZSR-UHFFFAOYSA-N 249.119 -0.239 50 20 BBGD COC(=O)CNC(=O)NN=Cc1cnc[nH]1 779823466 RHIQZOPQTXTMNI-UHFFFAOYSA-N 225.208 -0.784 50 20 BBGD CCNC(=O)N(C)NC(=O)CN(C)C(C)=O 780708070 ACPHIYMKMYGIGM-UHFFFAOYSA-N 230.268 -0.843 50 20 BBGD CN(NC(=O)[C@H]1CCCN1C1CC1)C(N)=O 787486061 RVKRYQLPVZMQAV-MRVPVSSYSA-N 226.280 -0.345 50 20 BBGD CC#CCN(C)[C@@H](C)C(=O)NNC(=O)CC 815285225 XIWFOYLPLRBHSN-VIFPVBQESA-N 225.292 -0.113 50 20 BBGD C[C@@H](CO)N(C)NC(=O)C1(N(C)C)CC1 823917404 IGWHKHXHBOMLJZ-QMMMGPOBSA-N 215.297 -0.576 50 20 BBGD Cc1cc(OCC(=O)NN(C)[C@@H](C)CO)no1 823983133 LOMQUCJUFGXPEY-ZETCQYMHSA-N 243.263 -0.294 50 20 BBGD Cc1cc(C(=O)NNC(=O)[C@H](O)C2CC2)n[nH]1 831418532 PGLDIBKIHAMZCX-MRVPVSSYSA-N 238.247 -0.750 50 20 BBGD CC1(C)CC(=NNC(=O)C(=O)NC2CC2)CO1 841616147 HCOLEPOYWRGTIZ-UHFFFAOYSA-N 239.275 -0.064 50 20 BBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1cnc[nH]1 843975218 QNRQNCWQRFWPKE-RQJHMYQMSA-N 238.247 -0.404 50 20 BBGD NC(=O)[C@@H]1CC[C@H]1C(=O)NNC(=O)C1CCC1 847482383 LVSMOTKOSJSQJP-HTQZYQBOSA-N 239.275 -0.555 50 20 BBGD CCn1nncc1C(=O)NN(C)CCOC 848378407 POQAGAPNVSDBQH-UHFFFAOYSA-N 227.268 -0.479 50 20 BBGD C[C@H]1COCCC1=NNC(=O)CS(C)(=O)=O 863186821 NCTBXQVYHIJCGR-ZETCQYMHSA-N 248.304 -0.440 50 20 BBGD CC#CC[C@@H](CO)NCc1ccccc1B(O)O 895102929 IOSYAJMYYOOUSV-LBPRGKRZSA-N 247.103 -0.770 50 20 BBGD CCOCC(=O)NNC(=O)N[C@H]1COC[C@@H]1C 925999529 HQJBMNBHXAICBO-YUMQZZPRSA-N 245.279 -0.612 50 20 BBGD CC[C@H](F)C(=O)NNC(=O)c1ncccn1 1339046438 ZWMZKBRRIAGEHC-LURJTMIESA-N 226.211 -0.014 50 20 BBGD CC(=O)NNC(=O)c1cc2n(n1)CCCC2=O 1353971355 AASYYPVLJXYYGT-UHFFFAOYSA-N 236.231 -0.360 50 20 BBGD C[C@H](C(=O)NNC(=O)N(C)C)C1CNC1 1575070272 WLCXVQUZRKYHFE-LURJTMIESA-N 214.269 -0.856 50 20 BBGD Cc1ncccc1CC(=O)NNC(=O)[C@H]1CCN1 1579880331 DEQKYJMVLPENFR-SNVBAGLBSA-N 248.286 -0.558 50 20 BBGD C[C@@H]1CCC[C@@H]1NC(=O)NNC(=O)C(=O)O 1594360451 VJKISPJGLLRIFK-RITPCOANSA-N 229.236 -0.410 50 20 BBGD COC(=O)C(=O)NN=C1CCC[C@H](C(=O)O)C1 1598684411 KMVUENMYYUIMNF-LURJTMIESA-N 242.231 -0.094 50 20 BBGD NC(=O)c1ccc(C=NNC(=O)C(=O)O)cc1 1610640086 CIZAZIUXOBBXJV-UHFFFAOYSA-N 235.199 -0.680 50 20 BBGD CN1CCO[C@@H](C(=O)NNC(=O)C(C)(C)C)C1 81257677 VYOUGWHFSHKXQI-MRVPVSSYSA-N 243.307 -0.490 50 20 BBGD CN(NC(=O)CO)C(=O)OC(C)(C)C 297811806 WWXYLHZABFPZMF-UHFFFAOYSA-N 204.226 -0.123 50 20 BBGD CCCN(C)C(=O)c1ccc(B(O)O)cc1 584937261 SNIXZLMIVVGNFO-UHFFFAOYSA-N 221.065 -0.152 50 20 BBGD OC[C@@H]1CC[C@H](NCc2ccc(B(O)O)cc2)C1 585043596 OTCLMODLLZFWCX-YPMHNXCESA-N 249.119 -0.383 50 20 BBGD O=S(=O)(CC12CCC(CC1)C2)NCB(O)O 585059245 GDAMETQDADEJMQ-UHFFFAOYSA-N 247.125 -0.502 50 20 BBGD O=C(Cc1ccc2c(c1)CCCO2)NCB(O)O 585062492 JQOSSRLBVUGJMY-UHFFFAOYSA-N 249.075 -0.318 50 20 BBGD CCC(=O)NNC(=S)NCCCC(=O)OC 747714726 FFKHGKPUKWAZBS-UHFFFAOYSA-N 247.320 -0.155 50 20 BBGD CC1CC(C#N)(C(=O)NNC(=O)CN(C)C)C1 767948611 MZUAFWWPCXDGAI-UHFFFAOYSA-N 238.291 -0.365 50 20 BBGD CC(=O)NNC(=O)c1ccnc2c1ncn2C 805157267 IWHICWLPYQXNFQ-UHFFFAOYSA-N 233.231 -0.251 50 20 BBGD CN(C)CC(=O)NN=Cc1cn(C)nc1O 814220726 GYPFIZXAIWYJIO-UHFFFAOYSA-N 225.252 -0.863 50 20 BBGD C[C@@H](C(=O)NN(C)C1CC1)n1cncn1 819645849 VDSIXVLQNJYXDH-ZETCQYMHSA-N 209.253 -0.036 50 20 BBGD COc1nccc(C(=O)NN(C)C[C@H](C)O)n1 822558117 PRQDVFPQTGLRRS-ZETCQYMHSA-N 240.263 -0.557 50 20 BBGD CC(C)(CO)C(=O)NNC(=O)c1ccnnc1 848231168 SDQTYMXLJSALCO-UHFFFAOYSA-N 238.247 -0.744 50 20 BBGD NNC(=O)[C@]1(c2ccccc2)CNC(=O)C1 852874899 VSQDZTZEFUBPHI-NSHDSACASA-N 219.244 -0.566 50 20 BBGD C[C@@H]1C[C@@H]1C(=O)NNC(=O)c1cccnn1 863866027 GQHQMOOPHJVUGJ-RQJHMYQMSA-N 220.232 -0.106 50 20 BBGD COC[C@H](C)NCc1cccc(B(O)O)c1 863890338 SIQDTUMOLPWMOQ-VIFPVBQESA-N 223.081 -0.509 50 20 BBGD CCOC(=O)C(C)(C)C(=O)NN(C)C[C@H](C)O 910154827 GZBIGYYMPNWLAN-QMMMGPOBSA-N 246.307 -0.081 50 20 BBGD COc1nn(C)cc1C(=O)NN(C)C[C@H](C)O 910181951 FWTZKUURMWEJMD-ZETCQYMHSA-N 242.279 -0.614 50 20 BBGD Cn1c(C=NNC(=O)C(N)=O)nc2ccccc21 1116380384 OOJPMXZYFQFIIF-UHFFFAOYSA-N 245.242 -0.491 50 20 BBGD NNC(=O)c1cnc2nc(O)nc(O)c2c1 1118127165 BCCGQEHJSBSEBW-UHFFFAOYSA-N 221.176 -0.961 50 20 BBGD O=C(CC1OCCCO1)NNc1nc[nH]n1 1324556259 ZHNKJHVXISMJAT-UHFFFAOYSA-N 227.224 -0.599 50 20 BBGD Cn1nncc1NNC(=O)[C@H]1CCOC1 1327873922 KXMVCMFHJJQSNK-LURJTMIESA-N 211.225 -0.705 50 20 BBGD CNC(=O)NNC(=O)c1cn(C)nc1OC 1349795812 IDJYDWATLIAKPK-UHFFFAOYSA-N 227.224 -0.998 50 20 BBGD CNNC(=O)CCc1c(C)ncnc1O 1578744968 OCUJTAJPPKAJLI-UHFFFAOYSA-N 210.237 -0.326 50 20 BBGD CC(=O)NNC(=O)c1cc(C(=O)O)ccn1 1589150661 ZQTLXGMJEJRBEU-UHFFFAOYSA-N 223.188 -0.439 50 20 BBGD CCOC(=O)NNC(=S)NCCCC(=O)O 1596664891 KSRQVNWLEYMZQY-UHFFFAOYSA-N 249.292 -0.024 50 20 BBGD COC(=O)NNC(=O)C[C@@H](C)CC(=O)O 1598884451 ZQYJJWFBWWZMAS-RXMQYKEDSA-N 218.209 -0.126 50 20 BBGD C[C@@H](SCC(=O)NNC(=O)C1CC1)C(=O)O 1609991538 FBMUNSRBTFEIKW-RXMQYKEDSA-N 246.288 -0.250 50 20 BBGD NCCCCNS(=O)(=O)CBr 127374364 IVLBPWHIWIMJEA-UHFFFAOYSA-N 245.142 -0.003 50 20 BBGD C[C@@H](CCO)NS(=O)(=O)CCl 133928136 HAYCLNCJQPAGSU-YFKPBYRVSA-N 201.675 -0.127 50 20 BBGD CC[C@@H](C)OCC(=O)NNC(=O)NC 160919072 OVVVXLHMXWRFDA-ZCFIWIBFSA-N 203.242 -0.238 50 20 BBGD CNC(=O)NC(=O)[C@H](C)N1CC=C(C#N)CC1 272626948 JUHBSKSGOCLTEN-QMMMGPOBSA-N 236.275 -0.014 50 20 BBGD COc1ccnc(NNC(=O)[C@@H](O)C(C)C)n1 291501125 PBQAEINVLZKHNB-QMMMGPOBSA-N 240.263 -0.055 50 20 BBGD CCO/C=C(\C#N)C(=O)NCC[C@H](O)COC 490937516 DAOYWCZTBGYLAY-PCYYEKQGSA-N 242.275 -0.056 50 20 BBGD O=C(NCB(O)O)c1n[nH]c2ccccc12 585057610 WKXZQSXIGAWMOS-UHFFFAOYSA-N 219.009 -0.695 50 20 BBGD Cc1ccc(/C=C/C(=O)NCB(O)O)cn1 585063372 XOGVBDMLYPIKCD-SNAWJCMRSA-N 220.037 -0.469 50 20 BBGD COCCO[C@H](C)C(=O)NNC(=O)NC(C)C 733954097 STTQZQFCCCZMPP-MRVPVSSYSA-N 247.295 -0.223 50 20 BBGD O=C(CO)NNC(=O)CC1CCSCC1 753442630 KUEMMZDAQDNFEI-UHFFFAOYSA-N 232.305 -0.341 50 20 BBGD CC[C@@H]1CC[C@H](C(=O)NNC(=O)CO)O1 753445037 DKEPVRQPSBZUKZ-RNFRBKRXSA-N 216.237 -0.916 50 20 BBGD CC(=NNC(=O)CO)c1cnc(C)nc1C 776780084 DJHJNFHDPDJUBU-UHFFFAOYSA-N 222.248 -0.074 50 20 BBGD Cc1n[nH]cc1C(=O)NNC(=O)c1ccncn1 778756860 XBVPFIPGHJGQNJ-UHFFFAOYSA-N 246.230 -0.417 50 20 BBGD COC(=O)N(C)NC(=O)C(OC)OC 822837976 JVDSTBJDKXTQQU-UHFFFAOYSA-N 206.198 -0.665 50 20 BBGD CNC(=O)NNC(=O)Cn1cc(C2CC2)cn1 823424659 FXDCECDBMQVMNO-UHFFFAOYSA-N 237.263 -0.279 50 20 BBGD C[C@H](CO)N(C)NC(=O)c1ccc(O)nc1 823993780 VTCIZVLARHHHBI-SSDOTTSWSA-N 225.248 -0.255 50 20 BBGD C[C@H]1CCN(S(=O)(=O)NNC(=O)O)C1 833615559 GYYXFKDYQZAVSU-YFKPBYRVSA-N 223.254 -0.655 50 20 BBGD O=C(NNc1nc2ccccn2n1)[C@@H](O)C1CC1 834352570 ZWESNOBCVJBYOK-VIFPVBQESA-N 247.258 -0.057 50 20 BBGD CC(C)(C)C(=O)NNC(=O)[C@H]1CC[C@@H]1C(N)=O 847345761 MUGQOHIISVLLJC-BQBZGAKWSA-N 241.291 -0.309 50 20 BBGD C=C[C@H](O)C(=O)NNC(=O)[C@@H]1CCCCO1 854682400 AEMCODCSCSJTQD-YUMQZZPRSA-N 228.248 -0.750 50 20 BBGD C[C@](O)(C(=O)NNC(=O)c1cc[nH]n1)C1CC1 855355623 BSZAENHTTVADLM-SNVBAGLBSA-N 238.247 -0.668 50 20 BBGD N#CCSCC(=O)NNC(=O)c1cc[nH]n1 855359568 WYOTZTYUGIWWEP-UHFFFAOYSA-N 239.260 -0.573 50 20 BBGD CC[C@@H](O)[C@H](C)C(=O)NNC(=O)NC1CC1 900382405 CTGWVHWNICAAKN-POYBYMJQSA-N 229.280 -0.114 50 20 BBGD O=C1CC[C@H]2[C@H](C(=O)N3CC[C@@H](B(O)O)C3)[C@H]12 902552076 SHZFPMHBLDPOSN-XFFJFQIUSA-N 237.064 -0.713 50 20 BBGD C#CCO[C@@H](C)C(=O)NN(C)C[C@@H](C)O 910144556 KPXOPTURADPDLV-BDAKNGLRSA-N 214.265 -0.632 50 20 BBGD C[C@H](O)CN(C)NC(=O)Cc1cnc[nH]1 910184759 VIULOJUJGDRZTG-ZETCQYMHSA-N 212.253 -0.704 50 20 BBGD CC(C)C(=O)NNC(=O)Cc1ncc[nH]1 1330102939 KENJXXOCGNWXLT-UHFFFAOYSA-N 210.237 -0.244 50 20 BBGD CN(C)C(=O)NNC(=O)c1cnsn1 1337966836 IULDCJODVDWACI-UHFFFAOYSA-N 215.238 -0.546 50 20 BBGD C[C@@H]1OCC(=NNC(=O)NCC(=O)O)[C@H]1C 1594641034 VFEYADZMBRETKB-WDSKDSINSA-N 229.236 -0.219 50 20 BBGD C[C@@H]1C[C@@]1(C(=O)O)C(=O)NNc1cnnn1C 1605023001 HHQGTUAUYIBBFJ-ANLVUFKYSA-N 239.235 -0.631 50 20 BBGD O=C(NNC(=O)[C@@H]1CCCO1)c1cnccn1 42062881 GYUMIJAUOPVJRD-QMMMGPOBSA-N 236.231 -0.583 50 20 BBGD COCC(=O)NNC(=O)c1ccccn1 46466032 YTOQMNWNFKAGEG-UHFFFAOYSA-N 209.205 -0.511 50 20 BBGD CNC(=O)NNC(=O)[C@@H](C)NC(=O)C(C)(C)C 97714341 WWWBLESMOYGNHU-ZCFIWIBFSA-N 244.295 -0.503 50 20 BBGD Cn1cccc1C(=O)NNC(=O)c1ccnn1C 123920544 PQDKALGQWHBXDK-UHFFFAOYSA-N 247.258 -0.167 50 20 BBGD COC(=O)C[C@@H](C)C(=O)NNC(=O)N(C)C 268203868 OXEAQCFAXVNXIH-ZCFIWIBFSA-N 231.252 -0.512 50 20 BBGD CC(C)[C@@H](O)C(=O)NNC(=O)c1ccncc1 285044496 JEMRTFMADQVCJK-SECBINFHSA-N 237.259 -0.141 50 20 BBGD CC[C@H](C)NC(=O)c1cccc(B(O)O)c1 584923803 NXDWBUZSBPTKSI-QMMMGPOBSA-N 221.065 -0.105 50 20 BBGD O=C(COc1ccc(Cl)cc1)NCB(O)O 585057273 QZBYMTOFQZRNQY-UHFFFAOYSA-N 243.455 -0.153 50 20 BBGD O=C(O)c1cc(N2CC[C@H](B(O)O)C2)ccn1 585079155 STCLXMBDJJKTID-ZETCQYMHSA-N 236.036 -0.167 50 20 BBGD CCOCC(C)=NNC(=O)C(=O)NC1CC1 726422883 BUHGCFXDXVNOIU-UHFFFAOYSA-N 227.264 -0.206 50 20 BBGD NC(=O)NN=Cc1cnc2ncccn12 755463927 GWBZXJRZLXNXGR-UHFFFAOYSA-N 204.193 -0.269 50 20 BBGD COCC(=O)NN=Cc1ccc(C(=O)OC)[nH]1 761821061 BADNXOBMFZGVEP-UHFFFAOYSA-N 239.231 -0.102 50 20 BBGD COC(=O)CNC(=O)NN=Cc1cc[nH]c1 779818338 OXVLTAOYWWSKMN-UHFFFAOYSA-N 224.220 -0.179 50 20 BBGD CNC(=O)NNC(=O)Cn1cnc2ccccc21 781934040 UWTUNBREVGFTDM-UHFFFAOYSA-N 247.258 -0.004 50 20 BBGD COC1CC(C(=O)NN(C)[C@@H](C)CO)C1 823907868 QLABCAKDCBPBQC-UEJVZZJDSA-N 216.281 -0.245 50 20 BBGD O=C(CCCF)NNC(=O)c1ncon1 832830678 UACZQZURRRVJPE-UHFFFAOYSA-N 216.172 -0.420 50 20 BBGD C[C@@H](C(=O)NNC(=O)[C@H]1CCO[C@@H]1C)N(C)C 843980967 YXGHPDHXPAHYOC-YIZRAAEISA-N 243.307 -0.491 50 20 BBGD O=C(CCCF)NNC(=O)c1cc[nH]n1 855355978 KAWUQZDKFLIWBH-UHFFFAOYSA-N 214.200 -0.080 50 20 BBGD CC(C)OCC(=O)NNC(=O)c1cn[nH]c1 862473819 ATCOSXQJSQYKDM-UHFFFAOYSA-N 226.236 -0.404 50 20 BBGD CCO[C@H](C)C(=O)NNC(=O)c1cccnn1 882059992 MYFQFJZJXCGPCY-SSDOTTSWSA-N 238.247 -0.337 50 20 BBGD CN1CC[C@H]1CNCc1cccc(B(O)O)c1 896595798 OTLKYAWEEGRZMY-LBPRGKRZSA-N 234.108 -0.840 50 20 BBGD C[C@H](C(=O)NN(C)[C@H](C)CO)c1cnccn1 911445494 WZNDZPJTUVFFQM-BDAKNGLRSA-N 238.291 -0.076 50 20 BBGD CCC(=O)NNC(=O)[C@H](C)N[C@H](CC)CO 931771008 IKKJEYGQNOFEIK-JGVFFNPUSA-N 231.296 -0.707 50 20 BBGD COCCN(C)NC(=O)CCCCNC(N)=O 1117484917 IEWFFUMYYZTMSF-UHFFFAOYSA-N 246.311 -0.566 50 20 BBGD CNC(=O)CCCCC(=O)NN(C)CCOC 1117805295 YAXBPASNDIWUPH-UHFFFAOYSA-N 245.323 -0.098 50 20 BBGD NC(=O)C(=O)NN=Cc1cnc2ccccc2n1 1317713362 RDBNBVFUDVVONU-UHFFFAOYSA-N 243.226 -0.435 50 20 BBGD O=C(CC1COC1)NNc1ccncn1 1333300777 WWMHYPVZFNLJQH-UHFFFAOYSA-N 208.221 -0.044 50 20 BBGD CCO/C=C(/C#N)C(=O)Nc1nnc2nc[nH]n12 1347757998 LETKUFYSJYGTLH-XQRVVYSFSA-N 247.218 -0.165 50 20 BBGD Cc1c[nH]ccc1=NNC(=O)[C@@H](C)C(=O)O 1605376040 RHYUIRQLWWGIRJ-SSDOTTSWSA-N 223.232 -0.024 50 20 BBGD CC(C)=CCCNC(=O)NNC(=O)C(=O)O 1609682093 OLCBFPAXTCOCSG-UHFFFAOYSA-N 229.236 -0.242 50 20 BBGD CNC(=O)CN(C)S(=O)(=O)CCCCl 36881242 TUPQLRYOWFWBIG-UHFFFAOYSA-N 242.728 -0.377 50 20 BBGD COCC(=O)NN=Cc1c[nH]c(C(=O)O)c1 382371589 GOAUJVCUDBWMPN-UHFFFAOYSA-N 225.204 -0.191 50 20 BBGD C[C@@H]1C[C@@H](NCc2ccc(B(O)O)o2)CCO1 585032067 PGCDYDHSYHRIIL-BDAKNGLRSA-N 239.080 -0.384 50 20 BBGD OCC1(CNCc2ccc(B(O)O)o2)CCC1 585034578 KCEBHTKKDGQNEN-UHFFFAOYSA-N 239.080 -0.788 50 20 BBGD OB(O)c1ccc(CNC2C[C@H]3C[C@@H]3C2)o1 585048319 NXXNBPBBGUETNV-HTQZYQBOSA-N 221.065 -0.153 50 20 BBGD O=C(CN1CCCC1=O)NNC1=N[C@H]2C=C[C@H]1C2 739414485 ZPTCAONOEHQBHP-IUCAKERBSA-N 248.286 -0.414 50 20 BBGD CN(C)CC(=O)NNC(=O)C1CC(F)(F)C1 754014662 REAAHZSTYFQPNU-UHFFFAOYSA-N 235.234 -0.259 50 20 BBGD O=C(NNC(=O)[C@@]1(O)CCSC1)NC1CC1 765674647 FVSZPQMGAAUBJG-SECBINFHSA-N 245.304 -0.653 50 20 BBGD COc1cc(C(C)=NNC(=O)C(N)=O)ccn1 782118544 DNRCZVGCTKHAQQ-UHFFFAOYSA-N 236.231 -0.584 50 20 BBGD CC[C@@H](C)[C@@H](OC)C(=O)NNC(=O)C(C)(C)O 793927031 WRQCIICXKZYSGM-HTQZYQBOSA-N 246.307 -0.034 50 20 BBGD C[C@@H](CC(N)=O)C(=O)NNC(=O)CC1CC1 819110298 XWSVBPNXICYKHH-LURJTMIESA-N 227.264 -0.555 50 20 BBGD O=C(CN1CCCC1)NNC(=O)c1cn[nH]c1 824862113 AIDGQDKGSHJQTP-UHFFFAOYSA-N 237.263 -0.734 50 20 BBGD CC1(C(=O)NNC(=O)[C@H]2CCCCO2)COC1 833242708 MVQYXAKKHKGGOL-MRVPVSSYSA-N 242.275 -0.261 50 20 BBGD N#CSCCCNC(=O)CCNC(N)=O 854363331 WBTFHILVPYVCEF-UHFFFAOYSA-N 230.293 -0.235 50 20 BBGD CNC(=S)N(C)NC(=O)CC(C)(C)O 854920555 QGTVWXMUGNGFAA-UHFFFAOYSA-N 219.310 -0.385 50 20 BBGD C/C(Cl)=C\C(=O)NNC(=O)[C@@H]1CCC(=O)N1 912978110 PQDVESYAOVFPOB-OVCGOVNKSA-N 245.666 -0.445 50 20 BBGD CCn1cnc(C(=O)NNc2cnnn2C)c1 1118827025 IOUPFGVVSFRDJW-UHFFFAOYSA-N 235.251 -0.212 50 20 BBGD CNC(=O)NNC(=O)C1(C)CCOCC1 1318229292 GPHYNVUPIABXBX-UHFFFAOYSA-N 215.253 -0.237 50 20 BBGD COCCOCCC(=O)NNc1ccn(C)n1 1321389352 VXKZWKUCFBDQMB-UHFFFAOYSA-N 242.279 -0.084 50 20 BBGD CO[C@H]1CS(=O)(=O)C[C@@H]1NC=C(C#N)C#N 1329277215 NYEVQGYZYRXSMA-IUCAKERBSA-N 241.272 -0.681 50 20 BBGD CCC(=NNC(=O)C(=O)O)[C@H]1CCOC1 1594693945 IWKCHPNLZVRJEB-LURJTMIESA-N 214.221 -0.010 50 20 BBGD CC(C)OCC(=O)NNC(=O)NC1CC1 49144698 UIPSAWCLRLVIQG-UHFFFAOYSA-N 215.253 -0.096 50 20 BBGD C[C@H]1CO[C@@H](CO)CN1S(=O)(=O)CCl 88093845 GMUGGHNSPLYKQD-NKWVEPMBSA-N 243.712 -0.406 50 20 BBGD COC(=O)[C@@H]1C[C@@H]1C(=O)NNc1ncccn1 171367797 UYEVIPKKNIMNJC-NKWVEPMBSA-N 236.231 -0.271 50 20 BBGD CCCc1cc(C(=O)NNC(=O)CO)[nH]n1 180957714 MEJMYVBLIXYCSM-UHFFFAOYSA-N 226.236 -0.885 50 20 BBGD COC(=O)C[C@H](C)C(=O)NNC(=O)N(C)C 268203865 OXEAQCFAXVNXIH-LURJTMIESA-N 231.252 -0.512 50 20 BBGD CC[C@@H]1C[C@H]1NC(=O)c1ccc(B(O)O)cc1 584985996 UQILQDXCSYHYJD-LDYMZIIASA-N 233.076 -0.105 50 20 BBGD O=C(c1cccc(B(O)O)c1)N1CC[C@@H]2C[C@@H]2C1 585006000 PFVMWJIFYGEKAQ-MWLCHTKSSA-N 245.087 -0.152 50 20 BBGD CC(C)(C)OCCNCc1ccc(B(O)O)o1 585021010 NUFWQDWDESLFQN-UHFFFAOYSA-N 241.096 -0.136 50 20 BBGD CNC(=S)NNC(=O)[C@H](C)OCCOC 734025656 AAWFGZINJQKSDJ-LURJTMIESA-N 235.309 -0.837 50 20 BBGD C[C@@H](C#N)C(=O)NNC(=O)c1ccc[nH]1 736667779 QQBJAGCKFQVYRF-LURJTMIESA-N 206.205 -0.065 50 20 BBGD CNC(=O)NNC(=O)[C@H](C)CC(=O)OC 758445339 MJWUWLOGBMYBQY-RXMQYKEDSA-N 217.225 -0.854 50 20 BBGD CN(C)CC(=O)NN=Cc1ccn(C)n1 814832363 MSWFQVJPWWKTPR-UHFFFAOYSA-N 209.253 -0.568 50 20 BBGD CCN(CCO)NC(=O)[C@@H]1CCOC1 823377376 RWGLTBKEXKVJLL-MRVPVSSYSA-N 202.254 -0.632 50 20 BBGD CCCNC(=O)NNC(=O)[C@@H](COC)OC 823952185 WQKANBZXJCBAJH-SSDOTTSWSA-N 233.268 -0.612 50 20 BBGD COCc1nccc(NC(=O)NNC(C)=O)n1 825494786 UPWDTFRSGYXNNH-UHFFFAOYSA-N 239.235 -0.204 50 20 BBGD CCCN1C[C@@H](C(=O)NNC(C)=O)CC1=O 839463712 DSIRTXNJIWJTIL-QMMMGPOBSA-N 227.264 -0.588 50 20 BBGD CO[C@H](CC(C)C)C(=O)NNC(=O)CN(C)C 842232514 XSEJQAKIMJEYGO-SECBINFHSA-N 245.323 -0.244 50 20 BBGD CCC[C@H](C(=O)NN(C)C1CC1)S(N)(=O)=O 854985399 QTERMMUPKWWNBJ-MRVPVSSYSA-N 249.336 -0.431 50 20 BBGD CC(C)[C@H](NC=O)C(=O)NNc1ncccn1 858318128 FDEANQDOMNIHHG-QMMMGPOBSA-N 237.263 -0.310 50 20 BBGD COCCOCC(=O)NN=C(C)c1ncc[nH]1 872400377 KMKIQUGBHGTBHL-UHFFFAOYSA-N 240.263 -0.087 50 20 BBGD Cc1nonc1CNCc1ccccc1B(O)O 877526117 GHEQVAKVMSPKPV-UHFFFAOYSA-N 247.063 -0.652 50 20 BBGD CCNC(=O)N(C)NC(=O)[C@@H](N)CC1CC1 884314060 XXGFAAJIDQYXML-QMMMGPOBSA-N 228.296 -0.194 50 20 BBGD C[C@@H](O)CN(C)NC(=O)[C@](C)(O)C1CC1 910158994 YDNYBTBEFMSYHI-GMSGAONNSA-N 216.281 -0.509 50 20 BBGD COCCOCCC(=O)NNC(=O)C1CC1 920338275 HIFAJAIGKVRQAX-UHFFFAOYSA-N 230.264 -0.403 50 20 BBGD O=C(NNS(=O)(=O)C1CC1)c1cnccn1 1251538756 BVTQYWGCESPUAS-UHFFFAOYSA-N 242.260 -0.797 50 20 BBGD CN(NC(=O)CCn1cnccc1=O)C1CC1 1325903178 JLWHIDPUXAVJQJ-UHFFFAOYSA-N 236.275 -0.241 50 20 BBGD O=C(NNC(=O)C1(O)CCC1)C1CCOCC1 1339915102 QMZWHJNMXHTLAX-UHFFFAOYSA-N 242.275 -0.525 50 20 BBGD C[C@H]1C(=NNC(=O)NCC(=O)O)CO[C@@H]1C 1594641032 VFEYADZMBRETKB-PHDIDXHHSA-N 229.236 -0.219 50 20 BBGD CCO/C=C(/C#N)C(=O)N[C@@](C)(CO)C(=O)O 1596864563 WWZPLWNDAIWAFG-BXKUYDPTSA-N 242.231 -0.618 50 20 BBGD O=C(O)CNC(=O)NN=C1CCCOCC1 1602071208 HKIBVXLWCADREB-UHFFFAOYSA-N 229.236 -0.073 50 20 BBGD Cc1csc(NC(=O)NNC(=O)C(=O)O)n1 1610547171 BSJUFAHMGUWDMY-UHFFFAOYSA-N 244.232 -0.311 50 20 BBGD NNC(=O)[C@@H]1CCCN1c1ncccn1 37400302 KWPGTLUEKZIGOA-ZETCQYMHSA-N 207.237 -0.565 50 20 BBGD CCOC(=O)NNC(=O)[C@H]1COCCO1 47954922 MVDPFRMSOZGNFT-ZCFIWIBFSA-N 218.209 -0.821 50 20 BBGD CCOCCC(=O)NNC(=O)CN(C)C 113424066 BDEVQDHPMFEFBK-UHFFFAOYSA-N 217.269 -0.878 50 20 BBGD COC(=O)NNC(=O)c1ccc2[nH]nnc2c1 194632661 OYBIXPIIJOQCHF-UHFFFAOYSA-N 235.203 -0.041 50 20 BBGD COC(=O)C[C@H](C)CC(=O)NNC(=O)OC 289277475 FRPORYVTIKARBC-ZCFIWIBFSA-N 232.236 -0.037 50 20 BBGD C[C@H](CF)C(=O)Nc1cccc(B(O)O)c1 584910388 BBEOIOVIXUBEIH-SSDOTTSWSA-N 225.028 -0.090 50 20 BBGD CC[C@@H](CO)NCc1ccccc1B(O)O 585015250 UNFFKNYJCGTYGY-JTQLQIEISA-N 223.081 -0.773 50 20 BBGD C[C@@H](NCc1cccc(B(O)O)c1)[C@@H]1CCOC1 585026210 DCXHKVKTFDOKGB-ZYHUDNBSSA-N 249.119 -0.119 50 20 BBGD C[C@H]1C[C@@H](NCc2cccc(B(O)O)c2)CO1 585047811 GZOJDGISLQVDLI-JOYOIKCWSA-N 235.092 -0.367 50 20 BBGD Cn1ccc2c(C(=O)NCB(O)O)cccc21 585061471 SWUOQITYUBOFFB-UHFFFAOYSA-N 232.048 -0.080 50 20 BBGD Cc1noc(C)c1C(=O)NNC(=O)CN(C)C 733359382 GBPTTYOKZDGXSR-UHFFFAOYSA-N 240.263 -0.386 50 20 BBGD CC(=NNC(=O)CN(C)C)c1cnccn1 734748820 XBRZJULBDJTGSX-UHFFFAOYSA-N 221.264 -0.122 50 20 BBGD Cc1ccc(O)c(C=NNC(=O)C(N)=O)c1 755491889 RYDYEDFWMNPUBC-UHFFFAOYSA-N 221.216 -0.364 50 20 BBGD CCCNC(=O)NNC(=O)[C@@]1(O)CCSC1 765697530 MRGQHKPMYQTGSV-SECBINFHSA-N 247.320 -0.405 50 20 BBGD CN(NC(=O)CC[C@H]1CCCO1)C(N)=O 770439639 QZACDGVBNXMOOA-SSDOTTSWSA-N 215.253 -0.013 50 20 BBGD CCNC(=O)N(C)NC(=O)COCCCOC 780711935 REOWUYQFNIZYAT-UHFFFAOYSA-N 247.295 -0.268 50 20 BBGD C=C[C@@H](O)C(=O)O[C@@H](C)C(=O)NNC(=O)CC 814549232 ZPSYHEBZGKMMEJ-NKWVEPMBSA-N 244.247 -0.978 50 20 BBGD COC(=O)c1cc(C=NNC(C)=O)on1 814692824 GFEIOMMLEHKHLG-UHFFFAOYSA-N 211.177 -0.069 50 20 BBGD CCN(CCO)NC(=O)[C@H]1COCCN1CC 823870060 XJFXEDFQSWXYLR-SNVBAGLBSA-N 245.323 -0.948 50 20 BBGD CCN(CC(=O)NN(C)[C@H](C)CO)C1CC1 823946003 BZKKHIKLQRBRIM-SECBINFHSA-N 229.324 -0.186 50 20 BBGD C[C@@H]1CC(=NNC(=O)NCC(=O)O)CCN1C 833586288 DYUFAWVCBPCMMQ-SSDOTTSWSA-N 242.279 -0.160 50 20 BBGD C[C@@H]1CC=C(C(=O)NNC(=O)CO)CC1 839722436 ZZUGAQIULHBAIX-SSDOTTSWSA-N 212.249 -0.128 50 20 BBGD O=S(=O)(CCl)N[C@H](CO)CCF 846017002 KXIHLSMWWNTEAA-YFKPBYRVSA-N 219.665 -0.177 50 20 BBGD Cc1ccn(C[C@@H](C)C(=O)NN(C)C(N)=O)n1 867126944 HTUNCZMNFFBECT-SSDOTTSWSA-N 239.279 -0.131 50 20 BBGD CCN1CCO[C@H](C(=O)NN(C)C[C@@H](C)O)C1 910163944 UIWUFNBSEYNGHT-ZJUUUORDSA-N 245.323 -0.949 50 20 BBGD CCN(CCO)NC(=O)[C@H](C)c1cnccn1 911441169 XFWBUNHZWNXVAG-SECBINFHSA-N 238.291 -0.075 50 20 BBGD CN(C)C(=O)NNC(=O)c1cn2cccnc2n1 1320705645 WLPCNAUHCIMTPE-UHFFFAOYSA-N 248.246 -0.355 50 20 BBGD COc1cccc2c1CC[C@@]2(N)C(=O)NN 1341633549 FLEAUUKLWBLJNP-NSHDSACASA-N 221.260 -0.215 50 20 BBGD C[C@@H](O)CN(C)NC(=O)CO[C@H]1CCOC1 1354062239 YGGVKAWVEONNQJ-BDAKNGLRSA-N 232.280 -0.864 50 20 BBGD CCCNC(=O)NNC(=O)[C@H](N)CCOC 1577545210 OEMDMBOFHCELIF-SSDOTTSWSA-N 232.284 -0.909 50 20 BBGD CC(=O)NNC(=O)Cn1cc([N+](=O)[O-])nc1C 49458139 YKISTRBATJBAQP-UHFFFAOYSA-N 241.207 -0.733 50 20 BBGD CS[C@H](C)CC(=O)NNC(=O)CO 182765911 JAPXKPPMMCYLBR-RXMQYKEDSA-N 206.267 -0.732 50 20 BBGD NC(=O)COc1ccc(C=NNC(N)=O)cc1 252609873 HWSAQWSQXYFKSP-UHFFFAOYSA-N 236.231 -0.447 50 20 BBGD Cc1c(C(=O)NNC(=O)CC(C)C)nnn1C 266096274 RQSSXWCVBOLTQO-UHFFFAOYSA-N 239.279 -0.069 50 20 BBGD CC(C)NC(=O)C(=O)NNC(=O)C1(C)CCC1 267327454 DZEHETALEQROJH-UHFFFAOYSA-N 241.291 -0.151 50 20 BBGD CC(C)(O)C(=O)NNC(=O)c1ccnc(F)c1 276339479 ZPQPQTZGHZRZCH-UHFFFAOYSA-N 241.222 -0.247 50 20 BBGD O=C(CCl)N1C[C@H](n2cccn2)[C@H](O)C1 409434801 QQQOPRJMRLPILR-JGVFFNPUSA-N 229.667 -0.134 50 20 BBGD CCCNC(=O)NNC(=O)[C@H](C)NC(=O)OC 494013515 DNOOUEXWXNRMTM-LURJTMIESA-N 246.267 -0.529 50 20 BBGD O=C(NC1CC=CC1)c1ccc(B(O)O)cc1 584962364 MHNJECKSLAOBOO-UHFFFAOYSA-N 231.060 -0.185 50 20 BBGD CC1CC(NCc2ccc(B(O)O)o2)C1 585026683 PYMGXXDJTCMAKA-UHFFFAOYSA-N 209.054 -0.153 50 20 BBGD CCNC(=O)NNC(=O)c1cc([N+](=O)[O-])c[nH]1 726875183 PPCYYWVHTXVCMX-UHFFFAOYSA-N 241.207 -0.113 50 20 BBGD Cc1cc(NNC(=O)CCNC(=O)O)ncn1 738240549 OQBFYIZEVCBDFG-UHFFFAOYSA-N 239.235 -0.114 50 20 BBGD COCC(=NNC(=O)C(N)=O)C1CCCC1 780189157 WTOQENLPNHOOBJ-UHFFFAOYSA-N 227.264 -0.220 50 20 BBGD COC[C@@H](C)[C@H](C)C(=O)NN(C)C(N)=O 812542380 ZIHZQLBHXASVEZ-RQJHMYQMSA-N 217.269 -0.053 50 20 BBGD CN1C(=O)CC[C@@H](NC=C(C#N)C#N)C1=O 818997151 SUHMPULMURUJFI-MRVPVSSYSA-N 218.216 -0.346 50 20 BBGD CN(NC(=O)CS(=O)(=O)C1CC1)C1CC1 819653456 QFTQMGHTKFXSHN-UHFFFAOYSA-N 232.305 -0.311 50 20 BBGD COc1cccc(NNC(=O)[C@@H]2CC(=O)N2)n1 831882095 RUHUYNRMZOKMJW-LURJTMIESA-N 236.231 -0.578 50 20 BBGD C#CCCCC(=O)NNC(=O)[C@H](O)C=C 887149240 OROOKFVVSPXNNK-MRVPVSSYSA-N 210.233 -0.516 50 20 BBGD CC(=O)NNC(=O)[C@@H](C)CN1CCOCC1 913247964 RWSZJHDFANZQJI-QMMMGPOBSA-N 229.280 -0.878 50 20 BBGD NNC(=O)NC[C@@H]1CC2(CCNCC2)CO1 1262098330 BMZDNAYMPVQFFN-QMMMGPOBSA-N 228.296 -0.682 50 20 BBGD Cc1nnc(CC(=O)NN(C)C[C@H](C)O)s1 1262178174 SFUOIKRHARGUEY-LURJTMIESA-N 244.320 -0.267 50 20 BBGD COC(=O)C(=O)NN=C1CCn2cccc21 1319047326 VIBFJOXALWSMLS-UHFFFAOYSA-N 221.216 -0.115 50 20 BBGD Cc1ncc(C=NNC(=O)[C@H]2CCC(=O)N2)n1C 1331723542 VCBAIZADKZPWKU-SECBINFHSA-N 249.274 -0.543 50 20 BBGD CCNC(=O)NNC(=O)CO[C@H]1CCOC1 1339908825 TXUOYCZRJJNUDC-ZETCQYMHSA-N 231.252 -0.858 50 20 BBGD CC(C)NC(=S)NNC(=O)CC(=O)O 1591661047 UWEGHHSYCKVVFT-UHFFFAOYSA-N 219.266 -0.635 50 20 BBGD O=C(O)c1cc(C(=O)NNc2ncccn2)on1 1602247517 WNYRWGFTHKIIGJ-UHFFFAOYSA-N 249.186 -0.080 50 20 BBGD CNC(=O)NN=Cc1cc(C(=O)O)cn1C 1776038801 ISSORVSBORGNJC-UHFFFAOYSA-N 224.220 -0.014 50 20 BBGD CC(C)n1cccc1C(=O)NNC(=O)CO 182748378 ZYPYXMUETWCPEX-UHFFFAOYSA-N 225.248 -0.178 50 20 BBGD O=C(CO)NNC(=O)c1cc2ccccc2[nH]1 182751282 WAYGILULZHWXQW-UHFFFAOYSA-N 233.227 -0.079 50 20 BBGD NC(=O)C(=O)NN=Cc1ccc(F)cc1 254385936 FHIHNWQQBHKBHH-UHFFFAOYSA-N 209.180 -0.239 50 20 BBGD CN1CCC[C@H]1C(=O)NNC(=O)c1ccccn1 299560621 SDZJLSYUHCVJBR-JTQLQIEISA-N 248.286 -0.063 50 20 BBGD Cn1ncc(C=NNC(=O)C2CC2)c1N 382429097 ZGAFUGQVGZQWQC-UHFFFAOYSA-N 207.237 -0.138 50 20 BBGD CC[C@@H]1COC[C@@H]1NCc1ccc(B(O)O)o1 585047091 GNCZSRFGVWZNOK-SCZZXKLOSA-N 239.080 -0.526 50 20 BBGD Cc1ncccc1CNCc1ccc(B(O)O)o1 585049508 QNOHDFYFNJVXPP-UHFFFAOYSA-N 246.075 -0.047 50 20 BBGD O=C(Cc1ccc2c(c1)CCC2)NCB(O)O 585058003 QGSHOCYVPHUWMC-UHFFFAOYSA-N 233.076 -0.154 50 20 BBGD CS[C@@H](C)C(=O)N1CC[C@@H](B(O)O)C1 585074928 DNUSCVAYWISLAI-NKWVEPMBSA-N 217.099 -0.187 50 20 BBGD NC(=O)C1(C(=O)NNc2ncccn2)CCC1 747907584 QJCJGTYOVVDYFV-UHFFFAOYSA-N 235.247 -0.425 50 20 BBGD CCC[C@@](C)(O)C(=O)NNC(=O)N(C)C 770947190 GYOITVBLNDFVHL-SECBINFHSA-N 217.269 -0.160 50 20 BBGD CC(C)(C)C(=O)NNC(=O)CC1OCCO1 793076007 JNWQPHIXGIYYLJ-UHFFFAOYSA-N 230.264 -0.057 50 20 BBGD Cn1nncc1C(=O)NNC(=O)c1cccnc1 798823986 VVPONIFYYQJEIQ-UHFFFAOYSA-N 246.230 -0.715 50 20 BBGD CCNC(=O)NN=C1CCS(=O)(=O)CC1 814817829 WMDSNLKWPFJTJR-UHFFFAOYSA-N 233.293 -0.130 50 20 BBGD CCN(CCO)NC(=O)c1cn(CC)nn1 823377404 SOSADFVLVPGVPJ-UHFFFAOYSA-N 227.268 -0.743 50 20 BBGD CN(C)CCC(=O)NNC(=S)NCC1CC1 849252787 ITGFROXQYXQJAK-UHFFFAOYSA-N 244.364 -0.157 50 20 BBGD C=C[C@](C)(O)C(=O)NN(C)CCOC 854409933 OVDJKUJSLXKDTD-VIFPVBQESA-N 202.254 -0.467 50 20 BBGD CC1(C)CC(=NNC(=O)[C@H]2CCC(=O)N2)CO1 863151370 LQDFSHXYWGLKAG-MRVPVSSYSA-N 239.275 -0.064 50 20 BBGD CN(C)C(=O)NNC(=O)CN1CCCC1 874248559 AAXYPDCLADDKGH-UHFFFAOYSA-N 214.269 -0.615 50 20 BBGD CCOC(=O)C1(C(=O)NN(C)C[C@@H](C)O)CC1 910161997 CIWCAJGLRUHJGS-MRVPVSSYSA-N 244.291 -0.327 50 20 BBGD CC[C@H](O)[C@@H](C)C(=O)NN(CC)CCO 911443790 MZQGSSKESAHWFS-BDAKNGLRSA-N 218.297 -0.261 50 20 BBGD CC(=O)NNC(=O)[C@@H]1CCc2n[nH]cc2C1 1117777707 ATILEDYYVNAVTP-SSDOTTSWSA-N 222.248 -0.318 50 20 BBGD COCn1ccc(C(=O)NNC(C)=O)n1 1328616572 XZNUBPNUCJMLAZ-UHFFFAOYSA-N 212.209 -0.732 50 20 BBGD Cn1ncc(C(=O)O)c1C=NNC(=O)C1CC1 1329933970 QPSZBSROPRUAGE-UHFFFAOYSA-N 236.231 -0.022 50 20 BBGD Nc1cnnc(NNC(=O)C2(N)CC2)c1Cl 1349417557 GYVPPJKFBWXSTK-UHFFFAOYSA-N 242.670 -0.353 50 20 BBGD CO[C@](C)(C(=O)O)C(=O)NNC(=O)C1CC1 1593926591 KRSMWUQLIMRDSJ-VIFPVBQESA-N 230.220 -0.967 50 20 BBGD CN(CCO)S(=O)(=O)CCCCl 37842614 LVBRRGQWKXFNRA-UHFFFAOYSA-N 215.702 -0.131 50 20 BBGD COCCNC(=O)NNC(=O)c1cnn(C)c1 49144411 JTAPFZYTEJZMET-UHFFFAOYSA-N 241.251 -0.990 50 20 BBGD Nc1nccnc1C(=O)NNC(=O)c1ccc[nH]1 120687368 LRIYJSQIKHREAH-UHFFFAOYSA-N 246.230 -0.538 50 20 BBGD N#CC1(C(=O)NNC(=O)CO)CCCCC1 180965465 TZDPPQJOUIHPSH-UHFFFAOYSA-N 225.248 -0.400 50 20 BBGD C[C@@H](OCC1CC1)C(=O)NN(C)C(N)=O 181087988 NUROTUWXCKVMMJ-ZCFIWIBFSA-N 215.253 -0.157 50 20 BBGD O=C(Cn1cccn1)NNC(=O)C1CC1 274205136 NYPXWFDVDLKUPT-UHFFFAOYSA-N 208.221 -0.560 50 20 BBGD CCOC(=O)NNS(=O)(=O)N1CCCC1 491879105 WOFVVBKDXOEGNJ-UHFFFAOYSA-N 237.281 -0.422 50 20 BBGD OB(O)c1ccccc1CNCCCF 585031053 PCLZQWBJWSHVOO-UHFFFAOYSA-N 211.045 -0.184 50 20 BBGD Cc1nccc(N2CC[C@@H](B(O)O)C2)n1 585073656 MMXBGYONGXJRMJ-MRVPVSSYSA-N 207.042 -0.162 50 20 BBGD COCC(=O)NNc1ncc(F)cn1 760914614 OSZYPWVGELLIBF-UHFFFAOYSA-N 200.173 -0.295 50 20 BBGD CC(C)C(=O)NNC(=O)CN1CCOCC1 765469615 UOUHYOLQFWREOG-UHFFFAOYSA-N 229.280 -0.878 50 20 BBGD COCCC(COC)=NNC(=O)COC 812226805 UDUBRLOEYOFPBD-UHFFFAOYSA-N 218.253 -0.212 50 20 BBGD CCNC(=O)NN=C1CCN(CCO)CC1 819806947 DKZKEKILKCSKAW-UHFFFAOYSA-N 228.296 -0.250 50 20 BBGD COC(=O)C[C@H](C)C(=O)NN(C)C[C@H](C)O 910165047 DTRFDWCTWHTJEU-YUMQZZPRSA-N 232.280 -0.471 50 20 BBGD CC(C)(C)C(=O)NNC(=O)[C@H]1CCC(=O)NC1 917180791 XIKXWITZXICHIB-ZETCQYMHSA-N 241.291 -0.294 50 20 BBGD COc1cc(C(=O)NNC(C)=O)ncn1 929181433 ALFCBMCPCOFBPZ-UHFFFAOYSA-N 210.193 -0.734 50 20 BBGD CCC[C@H](O)C(=O)NNC(=O)NC1CC1 930721065 VXFMZZGXCPLRPZ-ZETCQYMHSA-N 215.253 -0.360 50 20 BBGD CCNC(=O)NNC(=O)CCc1cnccn1 1116864792 BNHPMNDTYXLYEJ-UHFFFAOYSA-N 237.263 -0.241 50 20 BBGD CN(C)C(=O)NNC(=O)Cc1cscn1 1118636225 LMBWYNJGIMRFIM-UHFFFAOYSA-N 228.277 -0.012 50 20 BBGD O=C(NNC(=S)NCC1CC1)c1ncon1 1120086197 SUNWAOYTACPRDD-UHFFFAOYSA-N 241.276 -0.412 50 20 BBGD CCN(OC)C(=O)c1ccc(B(O)O)cc1 1124036862 OYBZOKDUCLHRHN-UHFFFAOYSA-N 223.037 -0.610 50 20 BBGD CC(C)CC(=O)NNC(=O)c1cnnc(O)c1 1261759485 ILXYHKAJSKTCQO-UHFFFAOYSA-N 238.247 -0.011 50 20 BBGD CNC(=O)NNC(=O)C(=O)c1ccc(O)cc1 1321484979 IDACGQZFDNNHBR-UHFFFAOYSA-N 237.215 -0.465 50 20 BBGD CC(=O)NNC(=O)c1c[nH]c(C)cc1=O 1324400878 GWPQZOVZAZBZCR-UHFFFAOYSA-N 209.205 -0.536 50 20 BBGD C#C[C@@H](CC)NC(=O)NNC(=O)c1cccnn1 1333162180 XRPQZFZODXTNJF-QMMMGPOBSA-N 247.258 -0.168 50 20 BBGD Cc1n[nH]cc1C=NNC(=O)[C@H]1CCC(=O)N1 1348411037 FYFLLLDQVSMEMH-MRVPVSSYSA-N 235.247 -0.553 50 20 BBGD CN(C)C(=O)NNC(=O)c1cnc(CN)s1 1578403287 WAMLIUSTQMBTQK-UHFFFAOYSA-N 243.292 -0.482 50 20 BBGD O=C(NCCn1cccn1)NNc1ncccn1 114970752 QPCSFIXATPKLQL-UHFFFAOYSA-N 247.262 -0.001 50 20 BBGD O=S(=O)(CBr)NCCO 127371054 OSVMQTJSDXCDNU-UHFFFAOYSA-N 218.072 -0.750 50 20 BBGD Cn1nncc1C(=O)NNC(=O)OC(C)(C)C 495378282 YBOASWVPXBIRIY-UHFFFAOYSA-N 241.251 -0.015 50 20 BBGD C[C@@H]1CC[C@@H]1NCc1ccc(B(O)O)o1 585040845 QMLZMBHSYLZYMK-APPZFPTMSA-N 209.054 -0.153 50 20 BBGD CCCNC(=O)NNC(=O)CCCNC(=O)O 737028631 MNFHQFFBJJCJQG-UHFFFAOYSA-N 246.267 -0.225 50 20 BBGD CN(CC#N)CC(=O)NNC(=O)C(C)(C)C 744393208 KZCOBHQOLDJUQR-UHFFFAOYSA-N 226.280 -0.365 50 20 BBGD COc1ccc(NC(=O)NNC(=O)CO)cn1 755832080 PUNVDEHHAJQWAL-UHFFFAOYSA-N 240.219 -0.765 50 20 BBGD CN(NC(=O)Cc1ccccc1CO)C(N)=O 779830802 ZXMQYTHJEHBBQI-UHFFFAOYSA-N 237.259 -0.237 50 20 BBGD COc1ncnc(N)c1C=NNC(=O)C(F)F 782235927 MXQRBJZJLRBFMG-UHFFFAOYSA-N 245.189 -0.217 50 20 BBGD CN(C)C(=O)NNC(=O)[C@](C)(O)C1CC1 804323148 DYCKPKMJNJJOAP-SECBINFHSA-N 215.253 -0.550 50 20 BBGD C[C@H](CO)N(C)NC(=O)c1cnccn1 823993229 NCTRMRUEVWBYPG-SSDOTTSWSA-N 210.237 -0.566 50 20 BBGD NNC(=O)[C@]1(c2ccccc2)CCNC1 825640036 XZPULIMFXJQLHP-LLVKDONJSA-N 205.261 -0.092 50 20 BBGD N#C/C=C\CN1C(=O)N[C@]2(CCCNC2)C1=O 830549449 ONZUFNFLJJNLAF-BVBSBALXSA-N 234.259 -0.260 50 20 BBGD CCNC(=O)N(C)NC(=O)C[C@H](N)C1CC1 831945562 RQCZXHJLQRURSF-QMMMGPOBSA-N 228.296 -0.194 50 20 BBGD CCC(=O)NNC(=O)Nc1cc(OC)n[nH]1 861382376 ZSMOJLTWYZTRTE-UHFFFAOYSA-N 227.224 -0.019 50 20 BBGD CC1(C(=O)NNC(=O)c2cn[nH]c2)COC1 862470991 MXZKWQLRRAZTSG-UHFFFAOYSA-N 224.220 -0.793 50 20 BBGD CCN1CCC[C@@H]1CNC(=S)NNC(N)=O 884003740 KQINDYXHUMDZTB-SSDOTTSWSA-N 245.352 -0.482 50 20 BBGD C#CCCCC(=O)NNC(=O)Cc1cnn(C)c1 887143205 PQOCDTPVBSLCAN-UHFFFAOYSA-N 248.286 -0.087 50 20 BBGD CN1CC[C@H](C(=O)NNC(=O)C2CC2)CC1=O 906473619 RRXPMYOOANDFBN-QMMMGPOBSA-N 239.275 -0.588 50 20 BBGD COC(=O)N[C@@H](C)C(=O)NN(C)C[C@@H](C)O 910156782 YCYWSQJMZSWWKC-RQJHMYQMSA-N 233.268 -0.925 50 20 BBGD CCNC(=O)NNC(=O)c1ccc([N+](=O)[O-])[nH]1 920858124 SWJNFXMOCIWFCB-UHFFFAOYSA-N 241.207 -0.113 50 20 BBGD O=C(CNC(=O)C1CC1)NNc1cccnn1 1116563125 VXCMIKKTBSWPIS-UHFFFAOYSA-N 235.247 -0.554 50 20 BBGD CC(C)C(=O)NNC(=O)NCCC[S@](C)=O 1122090220 JJGVOGOGQKKZLC-INIZCTEOSA-N 249.336 -0.259 50 20 BBGD O=C(NNC(=O)c1cocn1)NC1CC1 1318531174 JVMLYOJIIXGFED-UHFFFAOYSA-N 210.193 -0.219 50 20 BBGD O=C(CO)NNC(=O)c1ccn(C(F)F)n1 1320968008 WNGISZQLXSEYQX-UHFFFAOYSA-N 234.162 -0.969 50 20 BBGD CC(=O)NNC(=O)c1ccc(C(N)=O)o1 1324352617 QNNNBGHRZJMAIB-UHFFFAOYSA-N 211.177 -0.841 50 20 BBGD NNC(=O)[C@H]1CNC(=O)C[C@H]1C(F)(F)F 1330614102 HYGVMNPKSIIVTC-IUYQGCFVSA-N 225.170 -0.709 50 20 BBGD Cn1nncc1C=NNC(=O)C1CCOCC1 1330901880 AMPMUHAJBFISKK-UHFFFAOYSA-N 237.263 -0.308 50 20 BBGD C[C@H](C(=O)N1CC[C@@H](B(O)O)C1)n1ccnc1 1331894200 AUKCTIFWBGUBSW-RKDXNWHRSA-N 237.068 -0.481 50 20 BBGD Cc1cc(C(=O)N2CC[C@@H](B(O)O)C2)on1 1348489739 BCPBLRDTIYISBA-SSDOTTSWSA-N 224.025 -0.328 50 20 BBGD CC(C)(C)C(=O)NNC(=O)[C@H]1OCC[C@H]1N 1575106720 UJIHRIHWUHBESO-RQJHMYQMSA-N 229.280 -0.704 50 20 BBGD Cc1cc(C=NNC(=O)C(=O)O)sn1 1600185161 JHZLXYXCDHJFMO-UHFFFAOYSA-N 213.218 -0.014 50 20 BBGD NC(=O)C(=O)NNC(=O)c1cccc(Cl)c1 5944193 UMWVBYSCIMHZRI-UHFFFAOYSA-N 241.634 -0.414 50 20 BBGD CCc1ccnc(C(=O)NNC(=O)CO)c1 182752380 ZPRWYXFWDWNQDJ-UHFFFAOYSA-N 223.232 -0.603 50 20 BBGD CC(=O)NCC(=O)NNC(=O)CC1CCCC1 195215608 IOMBKTPDZCLCEB-UHFFFAOYSA-N 241.291 -0.150 50 20 BBGD COC(=O)N(C)NC(=O)[C@@]1(O)CCSC1 286552166 ZHFJMGYXLZGSGC-MRVPVSSYSA-N 234.277 -0.416 50 20 BBGD COC(=O)NCCCC(=O)NNC(=O)C(C)C 490925876 NTPMZPSXMVXFKD-UHFFFAOYSA-N 245.279 -0.074 50 20 BBGD COC(=O)N(C)NC(=O)c1ccnn1C 495763396 RKIKHZSWQPYIAU-UHFFFAOYSA-N 212.209 -0.237 50 20 BBGD COCC(=O)NNC(=O)Nc1cnn(C)c1 755494501 XJXGKOICMIBOGS-UHFFFAOYSA-N 227.224 -0.781 50 20 BBGD COC(=O)NNC(=O)[C@@H]1CCCCN1C 765853577 FJXFLMUBPAVAMH-ZETCQYMHSA-N 215.253 -0.142 50 20 BBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)C1CC1 771890556 KIQHQMJNBFWWOH-ZCFIWIBFSA-N 228.248 -0.115 50 20 BBGD NC(=O)C(=O)NN=C[C@@H]1CCCSC1 794858232 AHMUNUWWQHHAGK-LURJTMIESA-N 215.278 -0.283 50 20 BBGD CC(C)NC(=O)C(=O)NN=C1C(=O)OC[C@H]1C 794886405 KLOOUDLPEBKVFS-ZCFIWIBFSA-N 241.247 -0.824 50 20 BBGD CC(C[C@@H]1CCC(=O)N1)=NNC(=O)C(C)(C)O 811648387 JKAMXVQPIGZINB-QMMMGPOBSA-N 241.291 -0.082 50 20 BBGD CC1=NO[C@@H](C(=O)NNC(=O)NCC2CC2)C1 823804958 VBWWNYQSHZSPMJ-MRVPVSSYSA-N 240.263 -0.108 50 20 BBGD CCNC(=O)CCCC(=O)NN(CC)CCO 823855695 CDBWWKZKCXWLPG-UHFFFAOYSA-N 245.323 -0.362 50 20 BBGD CCc1c(C(=O)NN(C)[C@@H](C)CO)cnn1C 823951659 MDTKHAKPOFIXLY-QMMMGPOBSA-N 240.307 -0.060 50 20 BBGD CCCNC(=O)NNC(=O)[C@@H]1NC(=O)O[C@@H]1C 841384806 GBRNSSGAGLZSFT-PHDIDXHHSA-N 244.251 -0.776 50 20 BBGD COC/C(C)=C/C(=O)NN(C)C(N)=O 845907770 SGDDDIVLAAEICS-GQCTYLIASA-N 201.226 -0.379 50 20 BBGD CN1C(=O)CC[C@@H]1CC(=O)NNC(=O)C1CC1 854179729 CHVBKTAGPGOYIV-MRVPVSSYSA-N 239.275 -0.445 50 20 BBGD CCOC(C)(C)C(=O)NNC(=O)NC 864992652 LKDODTVPOHGUSH-UHFFFAOYSA-N 203.242 -0.238 50 20 BBGD C=C[C@@H](CC)CC(=O)NNC(=O)CO 897606408 PAUBRPLYLFCCOW-ZETCQYMHSA-N 200.238 -0.272 50 20 BBGD C[C@H](O)CN(C)NC(=O)CCn1ccnc1 910169180 YOCUMTVBSFXSCR-VIFPVBQESA-N 226.280 -0.383 50 20 BBGD C[C@@H](CO)N(C)NC(=O)CCn1cncn1 1119047773 MWVJJHNCEJZFNN-QMMMGPOBSA-N 227.268 -0.988 50 20 BBGD CCOC(=O)NNC(=O)c1cn(C)nn1 1261165862 AIJOPUIBIWDZMG-UHFFFAOYSA-N 213.197 -0.794 50 20 BBGD COc1ccc(NNC(=O)c2cnnn2C)nc1 1321332392 NVCZGHMZCYEZQR-UHFFFAOYSA-N 248.246 -0.024 50 20 BBGD N#CC(C#N)=CNCCn1cnc(C#N)n1 1322037368 RBUPZMWHEOYVBL-UHFFFAOYSA-N 213.204 -0.330 50 20 BBGD CC1=NO[C@](C)(C(=O)NN(C)[C@H](C)CO)C1 1358320010 IAFPRWLJQMMACE-SCZZXKLOSA-N 229.280 -0.115 50 20 BBGD C=C(CC)C(=O)NNC(=O)[C@@H]1COCCO1 1548661831 OTNFPPOHWPJWPJ-QMMMGPOBSA-N 228.248 -0.485 50 20 BBGD CCC(C)(C)N[C@@H](C)C(=O)NNC(=O)CO 309975084 SCVXYMNDHVUZEX-ZETCQYMHSA-N 231.296 -0.707 50 20 BBGD C#CCn1ccnc1C=NNC(=O)CN(C)C 491669993 CNHPXRAZMOGSLR-UHFFFAOYSA-N 233.275 -0.472 50 20 BBGD CC1(F)CC(NCc2ccc(B(O)O)o2)C1 585043865 UWJVBFDDPOVLDQ-UHFFFAOYSA-N 227.044 -0.060 50 20 BBGD O=C(O)c1cnc(N2CC[C@H](B(O)O)C2)cn1 585073174 JOOPGKNVLNTVCM-LURJTMIESA-N 237.024 -0.772 50 20 BBGD Cc1nccc(N2CC[C@H](B(O)O)C2)n1 585073657 MMXBGYONGXJRMJ-QMMMGPOBSA-N 207.042 -0.162 50 20 BBGD Cc1nnccc1C(=O)NNC(=O)CN(C)C 753789675 VGIQBTFBJYGDLT-UHFFFAOYSA-N 237.263 -0.892 50 20 BBGD CC(C)(O)C(=O)NNC(=O)C[C@@H]1CCCCO1 768244572 LWSWNRFXCGBAQA-QMMMGPOBSA-N 244.291 -0.136 50 20 BBGD CC[C@H](CO)C(=O)NNC(=O)c1cccn1C 779723750 LKJSFWWCKFPHPV-MRVPVSSYSA-N 239.275 -0.195 50 20 BBGD CCNC(=O)CC(=O)NN=c1cc[nH]cc1 781019883 PFDWDNLRDVEGPI-UHFFFAOYSA-N 222.248 -0.527 50 20 BBGD CO[C@@H](C(=O)NNC(=O)CN(C)C)C1CC1 792637063 COBYCMYQKJQXNN-SECBINFHSA-N 229.280 -0.880 50 20 BBGD CCNC(=O)CCC(=O)NN(C)C(=O)OC 804121443 HMRCPCXRGSMJIP-UHFFFAOYSA-N 231.252 -0.368 50 20 BBGD CC(C)(O)C(=O)NNC(=O)[C@](C)(O)C1CC1 804609271 VLLPTVDWISXEAR-SNVBAGLBSA-N 230.264 -0.934 50 20 BBGD CN1CC(=O)N(CC(=O)NN(C)C2CC2)C1=O 819642158 BHPUFQCBDUIPMB-UHFFFAOYSA-N 240.263 -0.994 50 20 BBGD O=C(NNc1cccnn1)[C@@H](O)C1CC1 832039780 REUPEERCOQOBBM-QMMMGPOBSA-N 208.221 -0.309 50 20 BBGD CC[C@H](NC(C)=O)C(=O)NNC(=O)OC 878000224 SWKKRFWGAOLUPU-LURJTMIESA-N 217.225 -0.712 50 20 BBGD CC[C@H](NC(C)=O)C(=O)NN(C)C[C@H](C)O 910181458 DPFQWJNORXRHJA-CBAPKCEASA-N 231.296 -0.755 50 20 BBGD CC[C@](C)(O)C(=O)NNC(=O)c1cccn1C 929434595 IPLIOWOIOAGFQB-NSHDSACASA-N 239.275 -0.053 50 20 BBGD CN(NC(=O)c1cncc(F)c1)C(N)=O 1116531005 WEEWMDLMGRFQEG-UHFFFAOYSA-N 212.184 -0.124 50 20 BBGD CCC(=O)NNS(=O)(=O)c1ccnn1C 1318200238 VSDNEMAPRCCKCL-UHFFFAOYSA-N 232.265 -0.860 50 20 BBGD CC[C@@](C)(N)C(=O)NNC(=O)C(C)(C)O 1574073689 HQJNTDZPHWUAET-SECBINFHSA-N 217.269 -0.968 50 20 BBGD O=C(O)[C@H](C(=O)NNc1nc[nH]n1)C1CC1 1594835978 NRVNRFJSVJOFHJ-YFKPBYRVSA-N 225.208 -0.641 50 20 BBGD CC(=O)OC(C)(C)C(=O)NNC(=O)N(C)C 275285513 LCFOGNKGPKZOID-UHFFFAOYSA-N 231.252 -0.370 50 20 BBGD CC[C@](C)(C#N)NC(=O)c1ccc(B(O)O)cc1 584936181 FRIRGZWWXXYHKX-GFCCVEGCSA-N 246.075 -0.212 50 20 BBGD O=S(=O)(CCl)NC[C@H]1C[C@H](O)C1 720906800 FKRBUAUBSWCVGC-IZLXSQMJSA-N 213.686 -0.127 50 20 BBGD CNC(=O)C1(C(=O)NNC(=O)NC(C)C)CC1 729968538 WEGBTGYLGXTFCY-UHFFFAOYSA-N 242.279 -0.749 50 20 BBGD CCN(CC)C(=O)CCC(=O)NNC(C)=O 755629215 KNYHATYWPDPKEF-UHFFFAOYSA-N 229.280 -0.198 50 20 BBGD CNC(=O)NNC(=O)CN(C)[C@H]1CCSC1 758002312 FOTQYYLQIXPIHA-ZETCQYMHSA-N 246.336 -0.616 50 20 BBGD C[C@@H](O)C(=O)NNc1ncncc1Cl 781834262 SFZYIDQWLSHPQM-SCSAIBSYSA-N 216.628 -0.046 50 20 BBGD CC[C@H](C)[C@H](NC(C)=O)C(=O)NNC(C)=O 794745638 YMNXDUCLNGXKSF-RCOVLWMOSA-N 229.280 -0.296 50 20 BBGD C[C@@H](CO)N(C)NC(=O)c1cc2ncccn2n1 823922131 HRHCTDZDUPQWAL-QMMMGPOBSA-N 249.274 -0.313 50 20 BBGD CC(F)(F)CC(=O)NNC(=O)c1ncon1 832825676 DEFNYFCYLZYPPE-UHFFFAOYSA-N 234.162 -0.124 50 20 BBGD C=CCCC(=O)NNC(=O)COCCOC 869909517 YUGKUODAYRFOHT-UHFFFAOYSA-N 230.264 -0.237 50 20 BBGD COC(=O)N(C)NC(=O)[C@H]1CCCC(=O)N1C 908112806 JEZIEVBVWGTGJY-SSDOTTSWSA-N 243.263 -0.273 50 20 BBGD Cc1n[nH]c(C)c1CC(=O)NN(C)C[C@@H](C)O 910178874 GFIMSEWNTOVSSP-SSDOTTSWSA-N 240.307 -0.087 50 20 BBGD CS(=O)(=O)c1ncnn1C/C=C/C#N 1261889170 PPHUKTZLVTUEMP-NSCUHMNNSA-N 212.234 -0.239 50 20 BBGD C=C/C=C\CCNC(=O)NNC(=O)C(=O)OC 1262032963 KQAWDDWNNDARTI-PLNGDYQASA-N 241.247 -0.378 50 20 BBGD COC1(C(=O)NNC(=O)N(C)C)CCOCC1 1321397431 VICUPMRZRBYSCK-UHFFFAOYSA-N 245.279 -0.516 50 20 BBGD COC(=O)C(=O)NNC(=O)NC1CC=CC1 1329621625 SZTJDJZIFPYOGI-UHFFFAOYSA-N 227.220 -0.792 50 20 BBGD Cc1cc(C=NNC(=O)[C@H]2CCC(=O)N2)n(C)n1 1331820134 FFKMEPAFNNAYCV-SECBINFHSA-N 249.274 -0.543 50 20 BBGD CCN(CCO)NC(=O)c1ccnc(O)c1 1348952835 CCDACKYOHXONBH-UHFFFAOYSA-N 225.248 -0.254 50 20 BBGD Cc1ccc(C(=O)NNC(=O)[C@@H]2CCN2)cc1O 1579663642 CUUGWSDQZPRIPI-VIFPVBQESA-N 249.270 -0.176 50 20 BBGD CO[C@H](C(=O)O)C(=O)NNC(=O)C(C)(C)C 1604435455 VLZKVMRQMCSDAD-YFKPBYRVSA-N 232.236 -0.721 50 20 BBGD CCCCC(=O)NNC(=O)C(=O)NC(C)C 278691971 LZXRFGCBPCTFPQ-UHFFFAOYSA-N 229.280 -0.151 50 20 BBGD C#CCO[C@H](C)C(=O)NN(C)CCOC 297248436 ZYSCLXGWAXADBH-SECBINFHSA-N 214.265 -0.366 50 20 BBGD COC(=O)NNC(=O)Nc1cnns1 492726850 ZEZCDTVSBRJAAK-UHFFFAOYSA-N 217.210 -0.069 50 20 BBGD COCCNCc1ccc(B(O)O)cc1F 585014593 WUWKORIESTVXAG-UHFFFAOYSA-N 227.044 -0.759 50 20 BBGD C=C[C@@H]1OCC[C@H]1NCc1ccccc1B(O)O 585043610 PGICELRCQQBQTI-OLZOCXBDSA-N 247.103 -0.201 50 20 BBGD CN(NC(=O)C1(C(=O)NC2CC2)CC1)C(N)=O 778411222 DMGLXDZXIZUPQU-UHFFFAOYSA-N 240.263 -0.913 50 20 BBGD Cc1cnn(CC(=O)NN(C)C(N)=O)c1 778417005 MCMOJHXHIFCILK-UHFFFAOYSA-N 211.225 -0.767 50 20 BBGD O=C(CO)NNC(=O)CCCC1CC1 812544771 TYECICUGZACPDU-UHFFFAOYSA-N 200.238 -0.294 50 20 BBGD Cc1conc1C(=O)NN(C)[C@@H](C)CO 823901906 HJDNYLUKBYAZFN-ZETCQYMHSA-N 213.237 -0.060 50 20 BBGD CC[C@H](NNC(=O)[C@@H]1CCO[C@H]1C)C(=O)OC 843288783 HDXMWACHMACBEP-YIZRAAEISA-N 244.291 -0.016 50 20 BBGD O=C(NNc1ncccn1)N[C@H]1CCNC1 851672750 TWCGIWYEYAJGPL-ZETCQYMHSA-N 222.252 -0.535 50 20 BBGD C=CCOCC(=O)NN(C)C(=S)NC 854923732 HAWBURJDPLZBJP-UHFFFAOYSA-N 217.294 -0.344 50 20 BBGD CNC(=S)N(C)NC(=O)[C@H](C)CC(=O)OC 854924582 LEIHVTHQXMZKRS-ZCFIWIBFSA-N 247.320 -0.347 50 20 BBGD C[C@@]1(C(=O)NNC(=O)c2cn[nH]c2)CCOC1 862470210 BSVBMQLDHHTHAJ-SNVBAGLBSA-N 238.247 -0.403 50 20 BBGD Cc1cc(=NNC(=O)[C@]2(O)CCOC2)cc[nH]1 862514946 CEDGTMFLXUYZAJ-NSHDSACASA-N 237.259 -0.594 50 20 BBGD OB(O)c1cccc(CN[C@H]2CCC[C@@H]2O)c1 877701004 YTCINGBABHFAQS-RYUDHWBXSA-N 235.092 -0.631 50 20 BBGD N#Cc1cncnc1N1CC[C@H](B(O)O)C1 1118916872 YRGZPODFBMNXQW-QMMMGPOBSA-N 218.025 -0.599 50 20 BBGD NC(=O)CSCC(=O)NNc1cccnn1 1320926298 YXKFXCMNGWFQGU-UHFFFAOYSA-N 241.276 -0.862 50 20 BBGD CC(=O)NNC(=O)[C@@H]1CCc2ncncc2C1 1326334096 QZOMAVHAISVVRJ-MRVPVSSYSA-N 234.259 -0.251 50 20 BBGD O=C1CC[C@H](C(=O)NN=C2CCn3ccnc32)N1 1329556721 KNRXLAPOSVUGEM-MRVPVSSYSA-N 247.258 -0.614 50 20 BBGD O=CN1CCC[C@@H]1C(=O)NNc1ccncn1 1331205861 SIQJCPIQILUPCN-MRVPVSSYSA-N 235.247 -0.460 50 20 BBGD C[C@@H](O)CN(C)NC(=O)CCc1cnn(C)c1 1339540271 ROFLPPVJQUGMEY-SECBINFHSA-N 240.307 -0.304 50 20 BBGD C[C@H](O)CN(C)NC(=O)[C@]1(C(=O)O)CC1(C)C 1589152950 USATUVBWCLZAJI-CPCISQLKSA-N 244.291 -0.169 50 20 BBGD COC(=O)NNC(=O)[C@]1(C(=O)O)CC1(C)C 1604345229 XADLMKMDWKFHHN-VIFPVBQESA-N 230.220 -0.126 50 20 BBGD CCOC(=O)NNC(=O)[C@H](NC(C)=O)C(C)C 68518150 NAFBMGZGCVRAHH-MRVPVSSYSA-N 245.279 -0.076 50 20 BBGD CCN1C[C@@H](C(=O)NNc2cccnn2)CC1=O 265583888 YVNSJSFWTRQLJC-QMMMGPOBSA-N 249.274 -0.212 50 20 BBGD C[C@@H]1C[C@@]1(C)NC(=O)c1cccc(B(O)O)c1 585010338 NZELTUNOJIEAOA-PRHODGIISA-N 233.076 -0.105 50 20 BBGD Cc1cccc(C)c1NCC(=O)NCB(O)O 585060265 CLCBVGULZLLNQR-UHFFFAOYSA-N 236.080 -0.156 50 20 BBGD O=S(=O)(CCCCCl)NCC#CCO 717531452 IDOYNDNIARCGHZ-UHFFFAOYSA-N 239.724 -0.080 50 20 BBGD CNC(=O)NN=C(C)COCCOC 741163416 SGRPCEMJLBMOOT-UHFFFAOYSA-N 203.242 -0.046 50 20 BBGD C[C@@H]1C[C@@H]1C(=O)NNc1nccn(C)c1=O 747942589 YDWSLSQJMODYKV-RQJHMYQMSA-N 222.248 -0.121 50 20 BBGD O=C(CO)NNC(=O)c1ccnc(Cl)c1F 753438897 KGBQDNGDURVGDD-UHFFFAOYSA-N 247.613 -0.373 50 20 BBGD COCC1(C(=O)NN(C)C(N)=O)CC1 778954039 CYWQVVAMMFMRHI-UHFFFAOYSA-N 201.226 -0.545 50 20 BBGD C=CCNC(=S)NNC(=O)[C@@](C)(O)COC 798304903 DMLCDODOYZWJKO-VIFPVBQESA-N 247.320 -0.935 50 20 BBGD O=C(CNC(=O)C1CC1)NNC(=O)CC1CC1 819125974 HOJUYMYYWBQOSA-UHFFFAOYSA-N 239.275 -0.540 50 20 BBGD C[C@H](CO)N(C)NC(=O)Cc1cccnc1 823946639 MBEAKRXHWSMQTB-SECBINFHSA-N 223.276 -0.032 50 20 BBGD CC1=NO[C@@H](C(=O)NNC(=O)N(C)C)C1 824627778 WPCANOCILJLCDW-ZCFIWIBFSA-N 214.225 -0.546 50 20 BBGD CCC(=O)NNC(=O)[C@H](C)N1C[C@@H](N)[C@H](C)C1 923510488 USXAHKASVZXFQS-HRDYMLBCSA-N 242.323 -0.789 50 20 BBGD OB(O)[C@@H]1CCN(c2nccn3cnnc23)C1 1118975437 OSIDYHCPCPOZQU-SSDOTTSWSA-N 233.040 -0.823 50 20 BBGD CCNC(=O)NNC(=O)c1cnc(C)n1C 1119594388 SYLDYWGIBQHVGH-UHFFFAOYSA-N 225.252 -0.308 50 20 BBGD C[C@H](C(=O)NNc1ccn(C)n1)n1cncn1 1256185031 RVFQOEZVOZNPNL-SSDOTTSWSA-N 235.251 -0.284 50 20 BBGD O=C(C[C@@H]1CCOC1)NNC(=O)C1CC1 1319017166 NQPDOOJNCKPFKM-ZETCQYMHSA-N 212.249 -0.030 50 20 BBGD Cn1cc(C(=O)NN=Cc2cn(C)nn2)cn1 1324429152 KEUVOBIGKPJRMR-UHFFFAOYSA-N 233.235 -0.688 50 20 BBGD O=C(CCc1ncccn1)NNC(=O)C1CC1 1324723178 FQHWARURAFQUPC-UHFFFAOYSA-N 234.259 -0.033 50 20 BBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)CC1COC1 1335028199 AWAVDCRKSAYTMD-IONNQARKSA-N 242.275 -0.405 50 20 BBGD C=Cn1cc(C=NNC(=O)C(=O)OC)cn1 1343883658 DPFDJGYFESCTBW-UHFFFAOYSA-N 222.204 -0.393 50 20 BBGD CCN(CCO)NC(=O)CO[C@H]1CCOC1 1352229373 JIIACFDRFXFOJD-VIFPVBQESA-N 232.280 -0.863 50 20 BBGD CN1CCN(C(=O)NNC(=O)[C@H]2C[C@@H]2F)CC1 1521559183 LEUNXOYFGGBPNO-YUMQZZPRSA-N 244.270 -0.667 50 20 BBGD CO[C@H]1CCC[C@@H]1C(=O)NNC(=O)CCCN 1578936118 AWOCBKBDAZPNSZ-IUCAKERBSA-N 243.307 -0.312 50 20 BBGD Cn1nncc1NNC(=O)[C@H]1C[C@@H](N)[C@@H]2C[C@H]12 1580026541 IXKZQONEXIDUCO-FKSUSPILSA-N 236.279 -0.759 50 20 BBGD CO[C@@H](C(=O)O)C(=O)NNc1cccc(C)n1 1593911932 URFKFWNXMLKZTA-MRVPVSSYSA-N 239.231 -0.067 50 20 BBGD Cn1c(C=NNC(=O)CO)ccc1C(=O)O 1600910973 ASHPQNMRIUTKLR-UHFFFAOYSA-N 225.204 -0.834 50 20 BBGD CNC(=O)NN=Cc1cc(C(=O)O)nn1C 1776038882 PPKGRQFUSGQHBU-UHFFFAOYSA-N 225.208 -0.619 50 20 BBGD O=C(NCC1CC1)NNC(=O)C1=COCCO1 49166921 KEOKOXCMGAMLQO-UHFFFAOYSA-N 241.247 -0.385 50 20 BBGD CC[C@H](C)C(=O)NNC(=O)C(=O)N1CCCC1 132219693 FEDMMICSSZNPIC-QMMMGPOBSA-N 241.291 -0.198 50 20 BBGD CCOC(=O)NCC(=O)NN(C)C1CC1 497314756 OKLTXCROZVBERG-UHFFFAOYSA-N 215.253 -0.142 50 20 BBGD C[C@@H](NCc1ccc(B(O)O)o1)[C@H]1CCOC1 585026902 LVPXJJSZABMGDX-BDAKNGLRSA-N 239.080 -0.526 50 20 BBGD CC(C)NC(=O)C(=O)NNC(=O)CC1(C)CC1 757836362 ADHPIZDHBMBRLO-UHFFFAOYSA-N 241.291 -0.151 50 20 BBGD C#Cc1ccc(C(=O)NNC(=O)C(C)(C)O)cn1 768248073 UVSWIBWAGBPWAL-UHFFFAOYSA-N 247.254 -0.405 50 20 BBGD CC[C@@H](CO)C(=O)NNC(=O)NCCCOC 779749010 IKBWBAOIWCSZSN-QMMMGPOBSA-N 247.295 -0.628 50 20 BBGD CN(NC(=O)CCN1C(=O)CCC1=O)C1CC1 819642244 DHVSHJIWEKUJCJ-UHFFFAOYSA-N 239.275 -0.349 50 20 BBGD C[C@H](CO)N(C)NC(=O)c1cncn1C 823929178 VVSHNVFFQLXBSC-SSDOTTSWSA-N 212.253 -0.623 50 20 BBGD CC[C@H](CO)C(=O)NN(C)[C@H](C)CO 823935059 MTWCDIUMMHKNEK-HTQZYQBOSA-N 204.270 -0.651 50 20 BBGD NNC(=O)C1(S(=O)(=O)c2ccccc2)CC1 843450531 JIDPOISKLHGMLY-UHFFFAOYSA-N 240.284 -0.017 50 20 BBGD COC(=O)N(C)NC(=O)NCCOCCF 875756314 BCYXSGPHYRKXNH-UHFFFAOYSA-N 237.231 -0.115 50 20 BBGD C[C@H](O)CN(C)NC(=O)[C@H]1CO[C@@H](C)C1 910158437 FUXXVYDPDIDXCE-XHNCKOQMSA-N 216.281 -0.245 50 20 BBGD Cc1n[nH]c(C)c1C=NNC(=O)C(=O)NC1CC1 915955272 AHAFNBAMZYDQEL-UHFFFAOYSA-N 249.274 -0.245 50 20 BBGD COC(=O)C(=O)NNC(=O)NC[C@H](C)SC 1116363984 AIQVIINDCQLSFV-YFKPBYRVSA-N 249.292 -0.759 50 20 BBGD N#Cc1cc(N2CC[C@@H](B(O)O)C2)ncn1 1120089484 BNVXQJKRBDUNSS-SSDOTTSWSA-N 218.025 -0.599 50 20 BBGD COC(=O)c1coc(C=NNC(=O)C(N)=O)c1 1320264010 SEWNESHREXKWHK-UHFFFAOYSA-N 239.187 -0.998 50 20 BBGD NCCCC(=O)NNc1nncc(N)c1Cl 1328521972 GPMCBTJMFRIWTR-UHFFFAOYSA-N 244.686 -0.106 50 20 BBGD Cc1nnsc1C(=O)N1CC[C@@H](B(O)O)C1 1329292283 HUNVQFLFGNGQLU-ZCFIWIBFSA-N 241.081 -0.465 50 20 BBGD O=C(CC1CC1)NNC(=O)[C@H]1CCNC1=O 1334433450 IPDCBQZCCSILEI-ZETCQYMHSA-N 225.248 -0.930 50 20 BBGD Cc1cc(C(=O)N2CC[C@H](B(O)O)C2)on1 1348489740 BCPBLRDTIYISBA-ZETCQYMHSA-N 224.025 -0.328 50 20 BBGD CCN(CCO)NC(=O)c1ccc(N)cc1O 1577725903 VUXSIQZWUXOHND-UHFFFAOYSA-N 239.275 -0.067 50 20 BBGD C=CCNC(=S)NNC(=O)CC(=O)O 1588845320 GIKFYWVMVZKTBF-UHFFFAOYSA-N 217.250 -0.858 50 20 BBGD O=C(O)[C@@H](CF)NS(=O)(=O)CCCCl 1601647927 FWQJDNVFHBYWQE-RXMQYKEDSA-N 247.675 -0.043 50 20 BBGD COc1ccnc(NNC(=O)c2cc[nH]n2)n1 48698974 LOECACGUIUEYPD-UHFFFAOYSA-N 234.219 -0.035 50 20 BBGD CCC[C@@](C)(O)C(=O)NNC(=O)C(C)(C)O 192923975 AGOUTCBPXACZRS-SNVBAGLBSA-N 232.280 -0.544 50 20 BBGD COC(=O)NNC(=O)[C@H]1CCC[C@H](C(N)=O)C1 492200584 ISMRGXRWSGCCRX-BQBZGAKWSA-N 243.263 -0.335 50 20 BBGD OB(O)c1ccc(CNCCCF)o1 585030608 HRUPUFQOBDNBLO-UHFFFAOYSA-N 201.006 -0.591 50 20 BBGD O=C(NCB(O)O)c1ccc2c(c1)OCCO2 585057117 MDDUSWHGEBELAW-UHFFFAOYSA-N 237.020 -0.800 50 20 BBGD COc1cc(C)cc(C(=O)NCB(O)O)c1O 585062540 JGJJZSHPVKKNFQ-UHFFFAOYSA-N 239.036 -0.549 50 20 BBGD C[C@H]1C[C@@H]1C(=O)NNc1nccn(C)c1=O 747942580 YDWSLSQJMODYKV-BQBZGAKWSA-N 222.248 -0.121 50 20 BBGD Cn1cc(C(=O)NNC(=O)NCC(F)F)cn1 752018451 JNEKXXDAHVJLOO-UHFFFAOYSA-N 247.205 -0.371 50 20 BBGD COc1cc(C)cnc1C(=O)NNC(=O)CO 754284023 JBLNPEHGWVSIPH-UHFFFAOYSA-N 239.231 -0.848 50 20 BBGD C[C@H]1C[C@H](C(=O)NNC(=O)C(C)(C)O)CCO1 768258989 CJKFDBVCCIWYMM-JGVFFNPUSA-N 244.291 -0.280 50 20 BBGD COCCN(C)NC(=O)CNC(=O)C(C)(C)C 808073726 JVSSBIHFSSWHLZ-UHFFFAOYSA-N 245.323 -0.242 50 20 BBGD C[C@@H](CO)N(C)NC(=O)/C=C/c1cnn(C)c1 823983517 VZMCBQYCGXRFQV-MOVJSRMASA-N 238.291 -0.223 50 20 BBGD C[C@@H](CC(=O)O)C(=O)NNC(=O)N(C)C 827304153 PRTRGNKHEMOUFP-YFKPBYRVSA-N 217.225 -0.600 50 20 BBGD CCO[C@H](C)C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 843648327 XDNNTAMLPIDHTE-IWSPIJDZSA-N 244.291 -0.016 50 20 BBGD CC(C)C(=O)NNC(=O)CN(C)[C@H](C)CCO 844448436 FOZZUBVZZYYSLS-SECBINFHSA-N 245.323 -0.508 50 20 BBGD C=CC(=O)NCCC(=O)NN(C)C[C@@H](C)O 910160232 HTGYRSNNUPZCEU-MRVPVSSYSA-N 229.280 -0.978 50 20 BBGD CS(=O)(=O)CC(=O)NNC(=O)C1CCCC1 919711546 QVFWXWBXXBQYAH-UHFFFAOYSA-N 248.304 -0.631 50 20 BBGD CC(C)C1(C(=O)NN(C)C(N)=O)COC1 935178586 XIJZFEMEMCUQLL-UHFFFAOYSA-N 215.253 -0.299 50 20 BBGD CC(=O)N[C@@H](C)C(=O)NNC(=O)NC1CC1 1317992428 AYPUFFZWSHZSSD-YFKPBYRVSA-N 228.252 -0.996 50 20 BBGD CC(=O)NNC(=O)COCc1ccccn1 1333073000 CUIAHAJOUGDYNN-UHFFFAOYSA-N 223.232 -0.235 50 20 BBGD C[C@@H](O)CN(C)NC(=O)CCCCO 1334201082 FZYGZSHXCOIDJT-MRVPVSSYSA-N 204.270 -0.507 50 20 BBGD Cc1onc(CO)c1C(=O)NNC(=O)C1CC1 1349776220 FSKMIUYXPLJXFI-UHFFFAOYSA-N 239.231 -0.354 50 20 BBGD C[C@@H](O)[C@H](N)C(=O)NN(C)c1ccccn1 1579420327 ZQSWVGMKBMTULV-APPZFPTMSA-N 224.264 -0.743 50 20 BBGD C[C@@H](O)CN(C)NC(=O)c1c[nH]c(C(=O)O)c1 1604386570 KDDQZPKBIIEBGC-ZCFIWIBFSA-N 241.247 -0.330 50 20 BBGD Cn1cncc1C=NNC(=O)NCC(=O)O 1608136818 VVQNPARQFUEEQL-UHFFFAOYSA-N 225.208 -0.862 50 20 BBGD Cc1sc(=O)n(CCC(=O)NN)c1C 82471536 WZCFHFCDNGSQBO-UHFFFAOYSA-N 215.278 -0.093 50 20 BBGD C[C@H]1CC[C@@H](C(=O)NNC(=O)c2c[nH]nn2)O1 152798891 JIBFTNAPSJHQRJ-FSPLSTOPSA-N 239.235 -0.867 50 20 BBGD C[C@@H]1CCC[C@H]1CC(=O)NNC(=O)CO 184046762 XYESRKLLDCFGFN-SFYZADRCSA-N 214.265 -0.048 50 20 BBGD NC(=O)N1CC[C@H](NC(=O)CCl)C1 306625764 HAWUKDGLJBJBQP-YFKPBYRVSA-N 205.645 -0.506 50 20 BBGD COC(=O)N(C)NC(=O)CC1OCCO1 495691683 CGEIAKPZUWQYNM-UHFFFAOYSA-N 218.209 -0.521 50 20 BBGD OB(O)c1cccc(CNCCn2cccn2)c1 585018865 VLLRMJYDHAQLKT-UHFFFAOYSA-N 245.091 -0.647 50 20 BBGD C[C@@]1(CNCc2ccc(B(O)O)o2)CCCO1 585028203 GQAZEGMUSWQMGZ-NSHDSACASA-N 239.080 -0.382 50 20 BBGD CO[C@H](C)[C@H](C)NCc1ccc(B(O)O)o1 585037402 WIFKFKMSRCARGQ-JGVFFNPUSA-N 227.069 -0.528 50 20 BBGD C[C@@]1(O)CCN(CC(=O)NNC(=O)C2CC2)C1 748832073 DUQMBHYQRUBPGQ-LLVKDONJSA-N 241.291 -1.000 50 20 BBGD CC(C)CO[C@H](C)C(=O)NNC(=O)CO 753443800 BINNHDAIYKBASG-SSDOTTSWSA-N 218.253 -0.813 50 20 BBGD CC(=O)NNC(=O)C(=O)Nc1ccccc1F 763515028 FXTPEMASDXOLSC-UHFFFAOYSA-N 239.206 -0.069 50 20 BBGD CC(C)[C@@H](C(=O)NN(C)[C@H](C)CO)N(C)C 823959712 OGHZKBZCUNATJG-ZJUUUORDSA-N 231.340 -0.084 50 20 BBGD O=S(=O)(CCl)N[C@@H](CO)CCF 846017001 KXIHLSMWWNTEAA-RXMQYKEDSA-N 219.665 -0.177 50 20 BBGD N#CSCCCNC(=O)[C@@]1(O)CCOC1 854366562 BVGNOSMGMUUPON-SECBINFHSA-N 230.289 -0.142 50 20 BBGD Cc1cc(=NNC(=O)[C@H](C)NC(N)=O)cc[nH]1 862508868 ZEWTVFOXRSTSBB-ZETCQYMHSA-N 237.263 -0.688 50 20 BBGD Cc1nc[nH]c1C(=O)NNC(=O)C1CC1 873750495 GDAIFLXAUBWINL-UHFFFAOYSA-N 208.221 -0.111 50 20 BBGD C[C@H](O)CN(C)NC(=O)c1cc(C#N)ccn1 910150133 NZTPXCLTPPNLCJ-QMMMGPOBSA-N 234.259 -0.089 50 20 BBGD C[C@@H](O)CN(C)NC(=O)CCC(C)(C)O 910158948 GKHGWDFRICJALX-MRVPVSSYSA-N 218.297 -0.119 50 20 BBGD CCC1(CC)NC(=O)N(CC(=O)NN)C1=O 916665720 GZTDVILEUQASAR-UHFFFAOYSA-N 228.252 -0.913 50 20 BBGD CC(C)(O)C(=O)NNC(=O)C[C@@H]1CCOC1 1116787579 PKIDVZLBQOZUNA-ZETCQYMHSA-N 230.264 -0.669 50 20 BBGD CCc1nocc1C=NNC(=O)C(=O)OC 1117741888 HYZSCZJABRBQQO-UHFFFAOYSA-N 225.204 -0.140 50 20 BBGD C#CC(=O)NNC(=O)Cc1cccnc1 1119959710 QBEVAJHXAGNLHX-UHFFFAOYSA-N 203.201 -0.595 50 20 BBGD O=C(NNC(=O)N1CC[C@H]1CO)C1CCCC1 1263100342 LMLJKOQXUKSRJP-VIFPVBQESA-N 241.291 -0.016 50 20 BBGD Cc1nccnc1C(=O)NNC(=O)NC1CC1 1328730811 YVUCDMNWICJCTD-UHFFFAOYSA-N 235.247 -0.109 50 20 BBGD C[C@H](Cc1cnc[nH]1)C(=O)NNc1nc[nH]n1 1329287833 LZEOBIZLUOTJNV-ZCFIWIBFSA-N 235.251 -0.150 50 20 BBGD O=C(NNc1ccncn1)c1cc[nH]n1 1331167146 ZGELXSCLSTVBIY-UHFFFAOYSA-N 204.193 -0.043 50 20 BBGD Cc1ncc(C(=O)NNC(=O)NC2CC2)n1C 1333996525 ZWBJFSWCJGGVPD-UHFFFAOYSA-N 237.263 -0.165 50 20 BBGD CC1=NO[C@@](C)(C(=O)NN(C)C[C@H](C)O)C1 1335951943 NEZMICHNYWRIJW-WCBMZHEXSA-N 229.280 -0.115 50 20 BBGD CCN(CCO)NC(=O)[C@@H](C)[C@H]1CCC(=O)N1 1348953386 DNTXQWMBYWYXEG-DTWKUNHWSA-N 243.307 -0.754 50 20 BBGD COCc1cc(CN2CC[C@H](B(O)O)C2)no1 1351729921 QSVDJJXFWWIDHH-QMMMGPOBSA-N 240.068 -0.130 50 20 BBGD Cc1nnc(NNC(=O)NCC(C)(C)N)n1C 1579912753 OBKMKOVKVZKAJF-UHFFFAOYSA-N 241.299 -0.513 50 20 BBGD CC(CC(C)(C)CC(=O)O)=NNC(=O)C(N)=O 1592444267 MYLVFGKESVFAGT-UHFFFAOYSA-N 243.263 -0.145 50 20 BBGD COCC(=O)NN=Cc1cc(C(=O)O)n(C)c1 1599143040 KYPISWAGNKJCJI-UHFFFAOYSA-N 239.231 -0.180 50 20 BBGD CC(=O)NNC(=O)Cn1nc(C)cc1C 58049476 FDVFDYNKOLKBGS-UHFFFAOYSA-N 210.237 -0.333 50 20 BBGD CN(C)CC(=O)NNC(=O)c1ccnc(F)c1 113426395 NPXBGCDJOQABFS-UHFFFAOYSA-N 240.238 -0.457 50 20 BBGD O=C(CN1CCOCC1)NNc1ncccn1 136312279 SAHLQWSSZWYJLM-UHFFFAOYSA-N 237.263 -0.748 50 20 BBGD O=C(CO)NNC(=O)c1csc(C2CC2)n1 182768971 ADSMYVGCJACBPI-UHFFFAOYSA-N 241.272 -0.226 50 20 BBGD COC(=O)NNC(=O)Nc1cncnc1OC 268494414 QOFSOJPNTZSJDJ-UHFFFAOYSA-N 241.207 -0.122 50 20 BBGD CCO/C=C(/C#N)C(=O)NCCNC(C)=O 490781724 CQCFHLCCLNSFGA-CLFYSBASSA-N 225.248 -0.317 50 20 BBGD N#C[C@H]1CC[C@@H](NCc2ccc(B(O)O)o2)C1 585048516 RNGNLCLMIVFDDU-DTWKUNHWSA-N 234.064 -0.259 50 20 BBGD Cc1ccc2oc(C(=O)NCB(O)O)cc2n1 585061556 VKVUOGYOGODKND-UHFFFAOYSA-N 234.020 -0.122 50 20 BBGD O=C(Cn1ccnc1)NNC(=O)C1CC1 733193436 OTFXUDZAGATAQS-UHFFFAOYSA-N 208.221 -0.560 50 20 BBGD CN(C)C(=O)NNC(=O)[C@H]1CCCCN1C 737819844 UWMTYHLLMBHUKT-MRVPVSSYSA-N 228.296 -0.227 50 20 BBGD COCCO[C@@H](C)C(=O)NN=Cc1ncc[nH]1 748258842 CZMODFJRIJXTQG-QMMMGPOBSA-N 240.263 -0.089 50 20 BBGD CC[C@H]1C[C@H](C(=O)NNC(=O)CO)CCO1 753442801 PIIIJPDMGPHBFO-SFYZADRCSA-N 230.264 -0.669 50 20 BBGD CC[C@H]1CC[C@H](C(=O)NNC(=O)NC)O1 756922772 QXOLFOZNJPWKCM-NKWVEPMBSA-N 215.253 -0.096 50 20 BBGD CC(C)NC(=O)C(=O)NN=C1C[C@H](C)N(C)C1 761805387 ZLFCAKKOKCWCQY-QMMMGPOBSA-N 240.307 -0.293 50 20 BBGD C[C@@H]1C[C@H]1C(=O)NNC(=O)C(C)(C)O 768254738 CKQYSIXQUIMHSH-PHDIDXHHSA-N 200.238 -0.439 50 20 BBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N(C)C 770719925 OKCIQYMQLHOOPR-BQBZGAKWSA-N 215.253 -0.286 50 20 BBGD Cn1[nH]cnc1=NC(=O)NNc1ccccn1 779071165 JGZJHDQGGZTGQV-UHFFFAOYSA-N 233.235 -0.219 50 20 BBGD O=C(C[C@@H]1CCCC(=O)N1)NNC(=O)C1CC1 809142758 FHNHMCYZSNKQBO-QMMMGPOBSA-N 239.275 -0.397 50 20 BBGD COC[C@@H](OC)C(=O)NNC(=O)NCC1CC1 823805189 ZZUUEOJRDBGQKL-MRVPVSSYSA-N 245.279 -0.612 50 20 BBGD CC[C@H](CO)C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 843970922 MZQPBTCTQJRKQR-IWSPIJDZSA-N 244.291 -0.423 50 20 BBGD CN1C(=O)CC[C@H]1CC(=O)NNC(=O)C1CC1 854179734 CHVBKTAGPGOYIV-QMMMGPOBSA-N 239.275 -0.445 50 20 BBGD COC[C@@H](OC)C(=O)NNc1ncncc1F 854608752 FEWJBCSUDVZQIM-SSDOTTSWSA-N 244.226 -0.280 50 20 BBGD CCn1nncc1CNS(=O)(=O)CCl 859248880 LDVDUNMQNWFJPA-UHFFFAOYSA-N 238.700 -0.086 50 20 BBGD CC[C@@H](C)CC(=O)NNC(=O)[C@@H]1CCC(=O)N1 862458252 BGZCIAGEDGOPTF-SFYZADRCSA-N 241.291 -0.151 50 20 BBGD O=C(NNC(=O)N1CCOCC1)C1CSC1 865045891 BNZZLVUBXSLAOO-UHFFFAOYSA-N 245.304 -0.578 50 20 BBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)C1CSC1 869068701 VDWJVOSGHJRNEW-HTRCEHHLSA-N 244.316 -0.078 50 20 BBGD Cc1cc(=NNC(=O)[C@@H]2CCCNC2=O)cc[nH]1 869388822 SCXNBGVGPWFTDF-SNVBAGLBSA-N 248.286 -0.219 50 20 BBGD CC(C)OCC(=O)NNC(=O)C1CCOCC1 883061948 MJEJIUMFOSXWAM-UHFFFAOYSA-N 244.291 -0.015 50 20 BBGD CCCCNC(=O)NNC(=O)c1ncn(C)n1 1117666894 OUIFOFNJEMLPPL-UHFFFAOYSA-N 240.267 -0.441 50 20 BBGD CCOC(=O)NNC(=O)c1ccncn1 1320488734 JPUGFKMKTZBNMC-UHFFFAOYSA-N 210.193 -0.133 50 20 BBGD CCc1nn(C)c(CC)c1C=NNC(=O)CO 1324946282 STCAYEUUFSGOJC-UHFFFAOYSA-N 238.291 -0.013 50 20 BBGD COC(=O)NNC(=O)[C@H]1CCn2ccnc2C1 1345018283 WXFTXKYEDCBZRU-ZETCQYMHSA-N 238.247 -0.167 50 20 BBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)CCCCO 1348728462 KKHADBAYMRXIAX-IUCAKERBSA-N 244.291 -0.279 50 20 BBGD C[C@]1(C(=O)NNc2ccncn2)CCNC1=O 1352228309 JOVKHWUEVMSNHB-JTQLQIEISA-N 235.247 -0.554 50 20 BBGD COC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 158746906 HEFNRRLNMLREHZ-PHDIDXHHSA-N 202.210 -0.201 50 20 BBGD CCOCC(=O)NNC(=O)c1ccncc1 192957357 MWJOATOGGHVWIS-UHFFFAOYSA-N 223.232 -0.121 50 20 BBGD CO[C@@H](C)COc1ccc(B(O)O)cc1 228582849 IQKAIKSXZPHDEV-QMMMGPOBSA-N 210.038 -0.220 50 20 BBGD NC(=O)C(=O)NN=Cc1cccc(O)c1O 254594736 VXBHZAMXDSJOLF-UHFFFAOYSA-N 223.188 -0.967 50 20 BBGD O=C(NNc1nnc[nH]1)[C@H]1CCCCO1 293787505 CIEDAIWJCIOMNT-ZCFIWIBFSA-N 211.225 -0.183 50 20 BBGD COC(=O)NNC(=O)[C@@H](OC)c1cnn(C)c1 492306819 IEZMVJXIUMNWGH-ZETCQYMHSA-N 242.235 -0.505 50 20 BBGD C/C(=C/c1cccnc1)C(=O)NCB(O)O 585062382 HQHCJXFRBNKORV-YVMONPNESA-N 220.037 -0.387 50 20 BBGD CC(=O)NNC(=O)c1cnc2[nH]cnc2c1 763387398 IQCFZMCGMUQTJX-UHFFFAOYSA-N 219.204 -0.261 50 20 BBGD CN(C)CC(=O)NNC(=O)c1c[nH]c(C#N)c1 779196621 FEHBAUCCQAULNQ-UHFFFAOYSA-N 235.247 -0.791 50 20 BBGD CC(C)C(=O)NNC(=O)N[C@@H](C)C[S@@](C)=O 784528820 BMVJEDDVWACTJK-HYORBCNSSA-N 249.336 -0.260 50 20 BBGD C[C@H]1COC(=O)C1=NNC(=O)c1cnccn1 794888506 PEPDDXRXKWLJBY-LURJTMIESA-N 234.215 -0.245 50 20 BBGD C[C@H](C(=O)NNC(=O)CC1CC1)n1cncn1 819122743 GIGFSYRQTAYHKB-SSDOTTSWSA-N 237.263 -0.213 50 20 BBGD CN(NC(=O)[C@H](O)c1cnn(C)c1)C1CC1 819652676 ZTAYIAXBJLQLDO-SECBINFHSA-N 224.264 -0.421 50 20 BBGD CCn1ccc(NC(=O)NNC(=O)CO)n1 824943643 QBARKEZSNPTPDM-UHFFFAOYSA-N 227.224 -0.952 50 20 BBGD O=C(NNC(=S)NCC1CC1)c1cn[nH]c1 863205452 XHSIUOGLGWPZPH-UHFFFAOYSA-N 239.304 -0.071 50 20 BBGD O=C1CC[C@@H]2[C@@H]1[C@@H]2C(=O)N1CC[C@H](B(O)O)C1 902552075 SHZFPMHBLDPOSN-WPYKOPORSA-N 237.064 -0.713 50 20 BBGD CCOCC(=O)NNC(=O)N[C@H]1COC[C@H]1C 925999528 HQJBMNBHXAICBO-SFYZADRCSA-N 245.279 -0.612 50 20 BBGD O=C(c1cncc(F)c1)N1CC[C@@H](B(O)O)C1 1118916900 ZXUKEEGIYQFMHZ-MRVPVSSYSA-N 238.027 -0.090 50 20 BBGD O=C(c1cncc(F)c1)N1CC[C@H](B(O)O)C1 1118916901 ZXUKEEGIYQFMHZ-QMMMGPOBSA-N 238.027 -0.090 50 20 BBGD COC(=O)CC(=O)NNC(=S)NC(C)C 1119555068 HMDSLWWDXDBEGI-UHFFFAOYSA-N 233.293 -0.547 50 20 BBGD CCO/C=C(\C#N)C(=O)NCCOCC(N)=O 1324336491 VVVGKRQHOBEMGV-SOFGYWHQSA-N 241.247 -0.952 50 20 BBGD CNC(=O)NNC(=O)c1cc(OC)ccn1 1326321127 OVAYLKKPPOPRBE-UHFFFAOYSA-N 224.220 -0.336 50 20 BBGD COCCNC(=S)NNC(=O)c1cc[nH]n1 1330123892 RTZMGIGOEYXCAU-UHFFFAOYSA-N 243.292 -0.835 50 20 BBGD CC(=O)NNC(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21 1338446043 ICIFQQNAXTYJQJ-XHNCKOQMSA-N 228.248 -0.795 50 20 BBGD COC(=O)NNC(=O)c1ccc(C(=O)O)nc1 1593858185 IUYDWYWGVYYFCS-UHFFFAOYSA-N 239.187 -0.219 50 20 BBGD NC(=O)NN=Cc1cccn1CC(=O)O 1601155653 DNHZAGUMSHDRBJ-UHFFFAOYSA-N 210.193 -0.425 50 20 BBGD O=C(O)[C@@H]1CC[C@@H]1NS(=O)(=O)CCl 1602175106 MPOTTYYXRKNTNU-UHNVWZDZSA-N 227.669 -0.035 50 20 BBGD O=C(NNC(=O)C(=O)O)NOC1CCCC1 1608478494 ZIUHHAKLHJFRPE-UHFFFAOYSA-N 231.208 -0.724 50 20 BBGD O=C(NNC(=O)C1CC1)c1cnn2cccnc12 44018996 KBVDVGYYRYSAHZ-UHFFFAOYSA-N 245.242 -0.100 50 20 BBGD O=C1CCCC[C@H](C(=O)NNC(=O)C2CC2)N1 278972745 NSRJBPVHQBRMRP-MRVPVSSYSA-N 239.275 -0.397 50 20 BBGD C=CCNC(=S)NNC(=O)C(F)F 298292783 ZKPPETPDBOHBAJ-UHFFFAOYSA-N 209.221 -0.067 50 20 BBGD CCNC(=O)NN=Cc1cnc(=N)[nH]c1 380117655 UEPCRDSAMRDCSN-UHFFFAOYSA-N 208.225 -0.458 50 20 BBGD O=C(NCB(O)O)c1ccc(O)c([N+](=O)[O-])c1 585061338 QAMRQWFVWHQZIM-UHFFFAOYSA-N 239.980 -0.958 50 20 BBGD CCNC(=S)NNC(=O)[C@H](C)OCCOC 733947973 LVYKXZMWFASZLA-ZETCQYMHSA-N 249.336 -0.447 50 20 BBGD O=C(NN=C1CCCOCC1)C(=O)NC1CC1 770595237 CNSFJVBFNYWOQM-UHFFFAOYSA-N 239.275 -0.062 50 20 BBGD CCC(=NNC(=O)C(=O)NC1CC1)c1cn[nH]c1 788979923 BJXNVHOATJSZAP-UHFFFAOYSA-N 249.274 -0.081 50 20 BBGD CC(C)n1cc(C=NNC(=O)CN(C)C)nn1 807968687 BEFQTLPDNCNJAP-UHFFFAOYSA-N 238.295 -0.129 50 20 BBGD Cc1n[nH]cc1C(=O)NN=C1COCCOC1 814852213 ODSDJPISNWYNRJ-UHFFFAOYSA-N 238.247 -0.149 50 20 BBGD COCCN(C)NC(=O)c1cc(=O)n(C)cn1 822843829 UGYDIXQJFFNZEH-UHFFFAOYSA-N 240.263 -0.997 50 20 BBGD CNC(=O)NNC(=O)C1(N(C)C)CC1 823424902 HOFXSBAZZHAVSH-UHFFFAOYSA-N 200.242 -0.959 50 20 BBGD C[C@H](CO)N(C)NC(=O)c1ccc2nncn2c1 823964840 FBBRFJFWDPHFNW-MRVPVSSYSA-N 249.274 -0.313 50 20 BBGD CCOC(=O)NNC(=O)[C@@H](C)NC(=O)CC 915263022 LESVUZGJJXMIQQ-ZCFIWIBFSA-N 231.252 -0.322 50 20 BBGD Cc1nc[nH]c1C=NNC(=O)[C@H]1CCC(=O)N1 1118890040 ZFBKHFILXIIMAD-SSDOTTSWSA-N 235.247 -0.553 50 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CC[C@H](CO)C(=O)NNC(=O)NCCCOC 779749008 IKBWBAOIWCSZSN-MRVPVSSYSA-N 247.295 -0.628 50 20 BBGD CCn1cc(CC(=O)NNC(=O)N(C)C)cn1 780515587 DLNZYGDCONTZIE-UHFFFAOYSA-N 239.279 -0.252 50 20 BBGD CNC(=O)NNC(=O)[C@H]1CCCN1C1CC1 787166286 XSBBHPQKYBSXEE-MRVPVSSYSA-N 226.280 -0.427 50 20 BBGD CCC(=O)NNC(=O)[C@@H](C)N(C)C[C@@H](C)OC 796643427 ZJQKORIHZRMCMA-RKDXNWHRSA-N 245.323 -0.101 50 20 BBGD C=C[C@H](NNC(=O)COCC)C(=O)OC 799977185 APQYDIKFOJMTKH-ZETCQYMHSA-N 216.237 -0.629 50 20 BBGD N#CCNC(=O)CNC(=O)NNc1ccccc1 807551917 ICKCFJDYKVTKOC-UHFFFAOYSA-N 247.258 -0.048 50 20 BBGD CN(NC(=O)CN1CCCS1(=O)=O)C1CC1 819646918 FKMSQAOSLQHYGK-UHFFFAOYSA-N 247.320 -0.853 50 20 BBGD CCN(CCO)NC(=O)C[C@H]1CCCC(=O)N1 823884648 CXMFBHXETBBNDY-SECBINFHSA-N 243.307 -0.609 50 20 BBGD COc1nccnc1NNC(=O)C(C)(C)O 857539940 LXNXRAIESKDVNZ-UHFFFAOYSA-N 226.236 -0.301 50 20 BBGD CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)NN 916039922 JUYUHXRMUPZDAN-MRVPVSSYSA-N 249.336 -0.429 50 20 BBGD CNC(=O)NNC(=O)c1snnc1C 1116776571 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50 20 BBGD Cc1cc(C(=O)NNC(=O)c2cn(C)cn2)[nH]n1 179150582 KOTQNASZIMMLJR-UHFFFAOYSA-N 248.246 -0.474 50 20 BBGD C[C@H]1CC[C@@H](CC(=O)NNC(=O)CO)C1 182750154 RSHIRBSBIBVBRG-JGVFFNPUSA-N 214.265 -0.048 50 20 BBGD OB(O)c1cccc(CNC[C@H]2CC[C@H](O)C2)c1 585038019 PTZAGUCTAFNNCG-AAEUAGOBSA-N 249.119 -0.383 50 20 BBGD CCO[C@@]1(C)C[C@H]1NCc1ccc(B(O)O)o1 585049538 RSPWEIQGHNFHPM-KOLCDFICSA-N 239.080 -0.384 50 20 BBGD CCOCCO[C@@H](C)C(=O)NNc1nc[nH]n1 816633954 SFHRLPPOLCYAKI-ZETCQYMHSA-N 243.267 -0.311 50 20 BBGD CCN(CCO)NC(=O)Cc1cc[nH]n1 823859994 GEXWNOYRWNCBGZ-UHFFFAOYSA-N 212.253 -0.702 50 20 BBGD CNC(=S)N(C)NC(=O)CN(C)C1CCC1 909994607 YCYJHGGCAPURHH-UHFFFAOYSA-N 244.364 -0.062 50 20 BBGD CC[C@H](C(=O)NN(C)C[C@H](C)O)N(C)C 910168082 ZURCAARQWXCBOY-DTWKUNHWSA-N 217.313 -0.330 50 20 BBGD CC[C@@](C)(O)C(=O)NNC(=O)C(C)C 929287099 IALBJVKXRVUVOG-SECBINFHSA-N 202.254 -0.049 50 20 BBGD O=C1NCC[C@H]1C(=O)NNc1cccnn1 1118755570 YBGNZLYYEGNZPQ-ZCFIWIBFSA-N 221.220 -0.944 50 20 BBGD C[C@H](C(=O)NNc1nc[nH]n1)n1cncn1 1324275502 DWSDRXHFHVRBNU-RXMQYKEDSA-N 222.212 -0.900 50 20 BBGD CS(=O)(=O)CC(=O)NN=C[C@H]1CCOC1 1330141842 FCBGTCOWGYHKNW-SSDOTTSWSA-N 234.277 -0.831 50 20 BBGD C[C@H](O)CN(C)NC(=O)[C@H](C)[C@@H]1CCC(=O)N1 1332628786 AHYRPLQGVHNPSO-YIZRAAEISA-N 243.307 -0.755 50 20 BBGD O=C(CCl)NC[C@H](O)CN1CCCC1=O 1336912007 PDWKTVBEQGXYOW-ZETCQYMHSA-N 234.683 -0.675 50 20 BBGD CCNC(=O)NNC(=O)c1nnc(C)s1 1350606659 UZVFUIXHUCQXJH-UHFFFAOYSA-N 229.265 -0.190 50 20 BBGD CN(NC(=O)c1cc(C(=O)O)on1)C(N)=O 1606180957 QXWVHDWCHNXAQJ-UHFFFAOYSA-N 228.164 -0.972 50 20 BBGD COC(=O)CN(C)S(=O)(=O)CCl 82511851 JYLXXKAPHKRVOI-UHFFFAOYSA-N 215.658 -0.383 50 20 BBGD Cc1cc(C(=O)NNC(=O)c2cc[nH]n2)[nH]n1 151163035 BRWPVYLQFCUONB-UHFFFAOYSA-N 234.219 -0.484 50 20 BBGD Cc1ccc(O)c(C(=O)NNC(=O)CO)c1 180952362 OVTJPLCREXENNZ-UHFFFAOYSA-N 224.216 -0.546 50 20 BBGD CN(NC(=O)[C@@H]1CCSC1)C(N)=O 306500941 PSYUJGJAWMTAET-RXMQYKEDSA-N 203.267 -0.219 50 20 BBGD CCCNC(=O)NNC(=O)CNC(=O)OCC 492460578 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CC[C@@]1(C(=O)NNC(=O)C(C)C)CCNC1=O 864490974 NEYGXGFAKXDBDF-LLVKDONJSA-N 241.291 -0.294 50 20 BBGD O=C1CC[C@@H](C(=O)NNC(=O)c2ccncc2)N1 1115812323 ZGISRZZBMLDTDY-QMMMGPOBSA-N 248.242 -0.879 50 20 BBGD C[C@@H](CO)N(C)NC(=O)c1ccnc(O)c1 1119046994 CADVLHZSFGNBSI-ZETCQYMHSA-N 225.248 -0.255 50 20 BBGD CCN(CCO)NC(=O)[C@H](C)n1ccnc1 1119104124 HRSYXNWMTDDHAD-VIFPVBQESA-N 226.280 -0.211 50 20 BBGD COC(=O)NNC(=O)C1(F)CCOCC1 1119306612 RQTLBAAZHOWNEL-UHFFFAOYSA-N 220.200 -0.108 50 20 BBGD Cc1ccnc(NNC(=O)c2n[nH]c(O)n2)c1 1319059392 YAXVMJOJIYZMCQ-UHFFFAOYSA-N 234.219 -0.029 50 20 BBGD NC(=O)C(=O)NN=Cc1cccc(F)c1O 1319492780 ZJPSNROHDKCXRF-UHFFFAOYSA-N 225.179 -0.533 50 20 BBGD COC(=O)N(C)NC(=O)c1ncccn1 1334306333 CVOXRQOZNKNGTQ-UHFFFAOYSA-N 210.193 -0.180 50 20 BBGD C=CCONC(=O)NNC(=O)C1CCOCC1 1349795752 HTYHUTFQIOPPIA-UHFFFAOYSA-N 243.263 -0.139 50 20 BBGD COC(=O)NNC(=O)c1cc(C(=O)O)co1 1598884414 YNVLJZMVGIHJQZ-UHFFFAOYSA-N 228.160 -0.021 50 20 BBGD CO[C@@H](CNC(=O)NNC(=O)C(=O)O)C(C)C 1606675590 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CCN1C[C@@H](C(=O)NNC(=O)C(C)C)CC1=O 914881289 IFRZJXXKVMEOJR-QMMMGPOBSA-N 241.291 -0.342 50 20 BBGD O=C1NCC[C@@H]1C(=O)NNc1ncccn1 1118552921 WGCGPAAUFUJFKZ-LURJTMIESA-N 221.220 -0.944 50 20 BBGD O=C1NCC[C@H]1C(=O)NNc1ncccn1 1118552922 WGCGPAAUFUJFKZ-ZCFIWIBFSA-N 221.220 -0.944 50 20 BBGD COCC(=O)NNC(=O)Cc1ccncc1 1330678155 ONGYZRINUNLQOV-UHFFFAOYSA-N 223.232 -0.582 50 20 BBGD CN(C)C(=O)NNC(=O)C(=O)c1cccn1C 1343690357 ZYWIUAKRPORQDE-UHFFFAOYSA-N 238.247 -0.490 50 20 BBGD O=C(O)CNC(=O)NN=Cc1ncc[nH]1 1602072042 LFHSEXGIRZKXTI-UHFFFAOYSA-N 211.181 -0.873 50 20 BBGD CC(=O)NNC(=O)[C@@]1(C(=O)O)CC=CCC1 1602760981 YHLWEHRKYJQHDT-SNVBAGLBSA-N 226.232 -0.035 50 20 BBGD CNC(=O)NNC(=O)CN1CCCCCC1=O 48644604 ZJNYBWXUUUHHNM-UHFFFAOYSA-N 242.279 -0.651 50 20 BBGD CSSCCNS(N)(=O)=O 306540469 RRGKYXHOMAUAJB-UHFFFAOYSA-N 202.326 -0.209 50 20 BBGD OC[C@H](CC1CC1)NCc1ccccc1B(O)O 585030753 ZBYJFRCWMWJCHH-LBPRGKRZSA-N 249.119 -0.383 50 20 BBGD N#CC1(CNCc2cccc(B(O)O)c2)CC1 585039982 XYGONXBHYRTXJO-UHFFFAOYSA-N 230.076 -0.240 50 20 BBGD O=C(O)[C@@]1(C(=O)NCB(O)O)C[C@H]2CC[C@H]1C2 585063319 XNVHOMCOHMXSLR-BYULHYEWSA-N 241.052 -0.994 50 20 BBGD CC(C)NC(=O)C(=O)NN=C1C[C@@H](C)N(C)C1 761805385 ZLFCAKKOKCWCQY-MRVPVSSYSA-N 240.307 -0.293 50 20 BBGD CN1CC[C@H](C(=O)NN=c2cc[nH]cc2)CC1=O 780761462 WCQNMSJVVDKLHT-VIFPVBQESA-N 248.286 -0.185 50 20 BBGD CC(C)(O)C(=O)NN=C1CCCS(=O)(=O)C1 785462972 YKAXBZSPAAGAKI-UHFFFAOYSA-N 248.304 -0.562 50 20 BBGD CC[C@@H](NNC(=O)C1CC1)C(=O)OC 790446359 OSWVBLFDEKOTHP-SSDOTTSWSA-N 200.238 -0.031 50 20 BBGD C=C(C)CNC(=S)NNC(=O)NCC(=O)O 833369252 MVYOVLQHVQHLSH-UHFFFAOYSA-N 246.292 -0.675 50 20 BBGD O=C(NNc1nc2ccccn2n1)[C@H](O)C1CC1 834352569 ZWESNOBCVJBYOK-SECBINFHSA-N 247.258 -0.057 50 20 BBGD C[C@H](O)CN(C)NC(=O)C1(O)CCC1 910152287 NIHFKUVBIGXOID-ZETCQYMHSA-N 202.254 -0.755 50 20 BBGD CCC[C@H](O)C(=O)NNC(=O)c1cnn(C)c1 933088434 NLRYJQLSNCQHNO-QMMMGPOBSA-N 240.263 -0.658 50 20 BBGD C[C@@H](C#N)C(=O)NNC(=O)C1CCOCC1 1119664828 IOWFCMMWRJGZEW-ZETCQYMHSA-N 225.248 -0.280 50 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IKIGTDVVGFRYLK-CHWSQXEVSA-N 249.119 -0.241 50 20 BBGD CC(C)C(=O)NNC(=O)[C@H]1CCN(C)C1=O 771883392 IMXWMXFBDBWLFQ-SSDOTTSWSA-N 227.264 -0.732 50 20 BBGD CC(C)C(=O)NNS(=O)(=O)N1CC[C@H](C)C1 777913591 NPHCCSVPQMESHE-QMMMGPOBSA-N 249.336 -0.150 50 20 BBGD CN(NC(=O)c1ccc([N+](=O)[O-])o1)C(N)=O 778411892 KEOQQWRRFUEVDW-UHFFFAOYSA-N 228.164 -0.157 50 20 BBGD C=CCNC(=S)NNC(=O)[C@@H]1CCN(C)C1 798305552 UVAINUPAVPAKAX-MRVPVSSYSA-N 242.348 -0.381 50 20 BBGD O=C(NNC(=O)C1CC1)c1cccnn1 858122730 ZQTRGCPYTFNSAF-UHFFFAOYSA-N 206.205 -0.352 50 20 BBGD C=CCCCC(=O)NNC(=O)CS(C)(=O)=O 863462920 NXUJBPRFHPYOIR-UHFFFAOYSA-N 248.304 -0.465 50 20 BBGD O=C1NCC[C@H]1C(=O)NNc1ccc(F)cn1 874647227 OTOTZDMIZCTOJB-SSDOTTSWSA-N 238.222 -0.200 50 20 BBGD CCOC(=O)NNC(=O)[C@H]1[C@H]2C(=O)CC[C@H]21 905070373 DXFPYZGWHJZCTR-LPBLVHEISA-N 226.232 -0.011 50 20 BBGD C#CCOCCC(=O)NN(C)C[C@@H](C)O 910161113 SOOWMSQNZFYNQQ-SECBINFHSA-N 214.265 -0.630 50 20 BBGD CCc1cc(C(=O)NN(C)C[C@H](C)O)n[nH]1 910171522 XDBAOGUMXRHNCS-ZETCQYMHSA-N 226.280 -0.071 50 20 BBGD CNC(=O)NNC(=O)CC[C@@H]1CCOC1 1319120694 UBBMHQSPYJJDPU-SSDOTTSWSA-N 215.253 -0.237 50 20 BBGD N#Cc1ncn(CC(=O)NN=c2cc[nH]cc2)n1 1320793796 YGIQTMUVEZCPEN-UHFFFAOYSA-N 243.230 -0.890 50 20 BBGD C=C[C@@H](COC)NC(=O)c1cccc(B(O)O)c1 1329639269 AFEQLSIBDBKJJG-NSHDSACASA-N 249.075 -0.703 50 20 BBGD CS(=O)(=O)CCC(=O)NN=c1cc[nH]cc1 1330739073 ZDRLRPAMLWBPOO-UHFFFAOYSA-N 243.288 -0.619 50 20 BBGD CNC(=S)N(C)NC(=O)c1cc(O)n(C)n1 1331204098 QFKQFCGMHRMQIQ-UHFFFAOYSA-N 243.292 -0.793 50 20 BBGD Cc1cc(CC(=O)NNC(=O)[C@@H]2C[C@H]2F)n[nH]1 1347704433 LHQIIGMQPAMARE-HTQZYQBOSA-N 240.238 -0.234 50 20 BBGD C[C@@H](CO)N(C)NC(=O)CCCCC(=O)O 1589073410 MVPMMZGIFXRMOB-QMMMGPOBSA-N 232.280 -0.025 50 20 BBGD CC[C@@H](C(=O)O)C(=O)NN(C)CCOC 1594755343 HDQHDGXZXSBKNK-SSDOTTSWSA-N 218.253 -0.293 50 20 BBGD CCOC(=O)NNC(=O)[C@H]1CN(CC)CCO1 363175483 VGGYQBBHFZXZFB-MRVPVSSYSA-N 245.279 -0.516 50 20 BBGD O=C(O)CSCC(=O)NNC(=O)C1CC1 389945565 QMMGRQDIPNSLJC-UHFFFAOYSA-N 232.261 -0.638 50 20 BBGD CC(CO)(CO)CNS(=O)(=O)CCl 393897479 TUCHXFYJZDJEHR-UHFFFAOYSA-N 231.701 -0.907 50 20 BBGD C[C@H]1C[C@@]1(C)NC(=O)c1cccc(B(O)O)c1 585010339 NZELTUNOJIEAOA-QPUJVOFHSA-N 233.076 -0.105 50 20 BBGD OB(O)c1ccc(CNCC2CCC2)o1 585019749 QNXVAMPRDGAKPY-UHFFFAOYSA-N 209.054 -0.151 50 20 BBGD OB(O)c1ccc(CN[C@H]2CCOC2)c(F)c1 585029517 GLZPNOMFGBRNAP-JTQLQIEISA-N 239.055 -0.616 50 20 BBGD COc1ccc(C(=O)NCB(O)O)c(C)c1 585060543 GEKNMBALYVOQPU-UHFFFAOYSA-N 223.037 -0.255 50 20 BBGD COC1CC(C(=O)N2CC[C@H](B(O)O)C2)C1 585066090 JHFRUBYMJZTVIN-MGURRDGZSA-N 227.069 -0.513 50 20 BBGD CC(C)C(=O)NNC(=O)CN1CCCC1=O 726098158 XSVRYWKKZDSMDW-UHFFFAOYSA-N 227.264 -0.588 50 20 BBGD CC(=O)NNC(=O)c1ccc(C#N)cn1 730830763 RXJNDYAZOMKTQZ-UHFFFAOYSA-N 204.189 -0.266 50 20 BBGD CO[C@H](C)C(=O)NNC(=O)c1c[nH]nc1C 732084011 DZWGDSPDGBJUQF-ZCFIWIBFSA-N 226.236 -0.486 50 20 BBGD CCc1ncncc1C(=O)NNC(C)=O 743284978 ICBXAFAHQOMDLP-UHFFFAOYSA-N 208.221 -0.180 50 20 BBGD C[C@H]1OCCC1=NNC(=O)C(=O)NC1CC1 747755289 OGMMTOGLNYCWBC-ZCFIWIBFSA-N 225.248 -0.454 50 20 BBGD CC(C)C(=O)NNc1ccc(C(N)=O)nn1 757392552 QECFDYCQFKKDTF-UHFFFAOYSA-N 223.236 -0.325 50 20 BBGD COC(=O)c1coc(C=NNC(=O)CO)c1 758127114 OTSJIXWASSUQFR-UHFFFAOYSA-N 226.188 -0.491 50 20 BBGD CNC(=O)NNC(=O)[C@@H](C)CC(=O)OC 758445345 MJWUWLOGBMYBQY-YFKPBYRVSA-N 217.225 -0.854 50 20 BBGD CSC1(C(=O)NNC(=O)C(C)(C)O)CC1 768259268 IPVFEIFCNXMBJI-UHFFFAOYSA-N 232.305 -0.200 50 20 BBGD CC1(C)CCC[C@H]1C(=O)NNC(=O)CO 776188952 UOQZZDSNXPBUSG-ZETCQYMHSA-N 214.265 -0.048 50 20 BBGD CCn1ccc(C(=O)NN(C)[C@H](C)CO)n1 823912205 CBVBROBQTVKSRY-MRVPVSSYSA-N 226.280 -0.140 50 20 BBGD C[C@@H]1OCC[C@H]1C(=O)NN(C)[C@H](C)CO 823940480 YFEFJFYLJMNPMB-HRDYMLBCSA-N 216.281 -0.245 50 20 BBGD COCCN(C)NC(=O)[C@H](O)C(C)C 837628398 WPOGCJAJVJYRAR-MRVPVSSYSA-N 204.270 -0.387 50 20 BBGD CCC(CC)(CO)C(=O)NN(C)C(N)=O 847635726 HWEMPWDPDLOQMZ-UHFFFAOYSA-N 217.269 -0.173 50 20 BBGD CC(C)[C@@H](F)C(=O)NNC(=O)[C@H]1CCC(=O)N1 862462155 VGYKQJVYVGOCPR-HTRCEHHLSA-N 245.254 -0.594 50 20 BBGD COC/C(C)=C\C(=O)NNC(=O)c1cn[nH]c1 862469818 UJXHYIDNUPVALC-CLTKARDFSA-N 238.247 -0.237 50 20 BBGD O=C(NNC(=O)[C@@H]1[C@H]2CCC(=O)[C@H]21)C1CC1 905089234 DCMOWHRUDJDEHQ-CNUIFLNQSA-N 222.244 -0.231 50 20 BBGD CC(C)C(=O)NNC(=O)CN1CCCCC1=O 915261765 WXJFFXNOWMYLMV-UHFFFAOYSA-N 241.291 -0.198 50 20 BBGD CC(C)C(=O)NNC(=S)NCCN(C)C 916122597 CZTYDGZQXLSQLU-UHFFFAOYSA-N 232.353 -0.301 50 20 BBGD CNC(=O)NNC(=O)c1cccc2c1OCO2 919879615 LQABCVYSXMYJTC-UHFFFAOYSA-N 237.215 -0.011 50 20 BBGD COCCCNC(=O)NNC(=O)[C@@H](C)OC 920860706 ZOBWHHDWMSXUFW-SSDOTTSWSA-N 233.268 -0.612 50 20 BBGD C=C[C@H](COC)NC(=O)c1cccc(B(O)O)c1 1329639268 AFEQLSIBDBKJJG-LLVKDONJSA-N 249.075 -0.703 50 20 BBGD Cc1nn(C)c(C)c1C(=O)NN(C)C(N)=O 1337074281 ZXBVMHNILLXJTO-UHFFFAOYSA-N 225.252 -0.308 50 20 BBGD CN(NC(=O)[C@@H]1CCn2cncc2C1)C(N)=O 1342119435 RLVMJTTXBXBJSC-SSDOTTSWSA-N 237.263 -0.513 50 20 BBGD C#CCCCC(=O)NNC(=O)C[C@H]1CC(=O)N1 1351833686 INESAAJVPBMBER-MRVPVSSYSA-N 237.259 -0.784 50 20 BBGD CC(CCC(=O)O)=NNC(=O)c1cn(C)nn1 1592470558 MTTMUGIPMGOEBP-UHFFFAOYSA-N 239.235 -0.214 50 20 BBGD Cn1cc(/C=C(/C#N)C(=O)NCCC(=O)O)cn1 1594538028 NRCQECJSNIAUNZ-WTKPLQERSA-N 248.242 -0.082 50 20 BBGD C[C@@H](O)C(=O)NNC(=O)OC(C)(C)C 276143733 OTVHKTHNEUAMGE-RXMQYKEDSA-N 204.226 -0.077 50 20 BBGD CNC(=O)NN=Cc1ccc(C(=O)O)[nH]1 308829013 FNFHDKOFZNDHGN-UHFFFAOYSA-N 210.193 -0.024 50 20 BBGD OB(O)c1ccc(CNCC[C@H]2CCOC2)o1 585035689 XVXMCTSDLWREAA-VIFPVBQESA-N 239.080 -0.524 50 20 BBGD COc1ccc(/C=C/C(=O)NCB(O)O)cc1 585056972 FLAMWXWOHDSVHW-QPJJXVBHSA-N 235.048 -0.163 50 20 BBGD COc1c(N)ncnc1N1CC[C@H](B(O)O)C1 585079212 VCWHNUAARBLIAC-LURJTMIESA-N 238.056 -0.880 50 20 BBGD CC[C@@H](C)C(=O)NNS(=O)(=O)CCOC 737757473 ZBLWJVRRVGDGJM-SSDOTTSWSA-N 238.309 -0.371 50 20 BBGD C[C@@H]1CN(C2CC2)CC1=NNC(=O)C(N)=O 755872088 NYTFBUDQBPJZID-ZCFIWIBFSA-N 224.264 -0.942 50 20 BBGD CC[C@H]1CC[C@@H](C(=O)NNC(=O)NC)O1 756922771 QXOLFOZNJPWKCM-BQBZGAKWSA-N 215.253 -0.096 50 20 BBGD COCC(=O)NN=C1CCCS(=O)(=O)C1 761819799 QYRBWZMFYIYKTK-UHFFFAOYSA-N 234.277 -0.686 50 20 BBGD CN(NC(=O)c1ccc2cncn2c1)C(N)=O 786503851 INVZHSULOMPHJC-UHFFFAOYSA-N 233.231 -0.010 50 20 BBGD CC(C)(O)C(=O)NNC(=O)C[C@@H]1CCCOC1 793925401 NLEHHJWRATUWSW-QMMMGPOBSA-N 244.291 -0.279 50 20 BBGD Cc1cc(C(=O)NN=C2COCCOC2)n[nH]1 814878246 UMHKMXZNMYYOSY-UHFFFAOYSA-N 238.247 -0.149 50 20 BBGD COCC1(C(=O)NN(C)[C@H](C)CO)CC1 823940300 WLZPGILOPZHVFM-MRVPVSSYSA-N 216.281 -0.243 50 20 BBGD CCn1ccc(CC(=O)NN(C)C(N)=O)n1 845908656 YMKWMOJVNXUFFC-UHFFFAOYSA-N 225.252 -0.513 50 20 BBGD C[C@@H](O)C(=O)NNC(=S)N[C@H](C)C1CC1 855099117 RQHGLBGIENAMMQ-PHDIDXHHSA-N 231.321 -0.339 50 20 BBGD C=CC(=O)N(C)CC(=O)NNC(=O)NCCC 858807852 BXFFSBXVQUSAQV-UHFFFAOYSA-N 242.279 -0.629 50 20 BBGD CCC1(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)CC1 862456978 XSXXVTDXORMDDE-ZETCQYMHSA-N 239.275 -0.397 50 20 BBGD CC(C)(F)C(=O)NNC(=O)c1cn[nH]c1 862470786 JNQWZKMAFMPXDK-UHFFFAOYSA-N 214.200 -0.081 50 20 BBGD C[C@H](C#N)OCCOc1ccc(B(O)O)cc1 863866827 YZFBPNOVJIIQMX-SECBINFHSA-N 235.048 -0.326 50 20 BBGD COc1ccnc(NNC(=O)C(OC)OC)n1 873983600 KBXXHMMSBMFSNH-UHFFFAOYSA-N 242.235 -0.453 50 20 BBGD Cc1nocc1NC(=O)NNC(=O)CN(C)C 888734990 AGMBILCSHWAWKK-UHFFFAOYSA-N 241.251 -0.303 50 20 BBGD CCO/C=C(\C#N)C(=O)N1CCOCN1 928950495 UDRBAAIULBTSPS-SOFGYWHQSA-N 211.221 -0.249 50 20 BBGD CN(NC(=O)c1ccc2nc[nH]c2n1)C(N)=O 1320122727 AJSRTVQLGYFGRX-UHFFFAOYSA-N 234.219 -0.387 50 20 BBGD CC(C)NC(=S)NNC(=O)C(C)(C)CO 1326740775 CTHNFCMSGMAAAJ-UHFFFAOYSA-N 233.337 -0.091 50 20 BBGD CC(C)(F)C(=O)N1CC[C@@H](B(O)O)C1 1329292382 IWXHTXLNXPCZEQ-ZCFIWIBFSA-N 203.022 -0.190 50 20 BBGD O=S(=O)(CCCF)N1CC[C@@H](B(O)O)C1 1335431470 JZOIWKYHOZWTIG-SSDOTTSWSA-N 239.077 -0.776 50 20 BBGD Cc1noc(C)c1C=NNC(=O)C(=O)O 1600807938 GATSQBNPTYBWFQ-UHFFFAOYSA-N 211.177 -0.174 50 20 BBGD CO[C@@](C)(C(=O)O)C(=O)NNC(=O)C(C)C 1604462638 DPGJPLUBOHWMKO-SECBINFHSA-N 232.236 -0.721 50 20 BBGD Cn1ccc(NNC(=O)[C@H]2C[C@@H](C(=O)O)C2)n1 1608127929 PUKBBWKYFXOOCV-KNVOCYPGSA-N 238.247 -0.026 50 20 BBGD CCNC(=O)NNC(=O)C[C@H]1CCCO1 49164676 YTHUTIGKJFATLO-SSDOTTSWSA-N 215.253 -0.094 50 20 BBGD CC(C)N(C)CC(=O)NNC(=O)CN(C)C 113423437 FQSGKSRGSKBWCO-UHFFFAOYSA-N 230.312 -0.964 50 20 BBGD OB(O)c1ccccc1CNC1CCC(O)CC1 585014523 USIWMCLIKITOBB-UHFFFAOYSA-N 249.119 -0.241 50 20 BBGD OB(O)c1ccccc1CNCC1CCOCC1 585019891 JFDKXXGJYUDYHJ-UHFFFAOYSA-N 249.119 -0.117 50 20 BBGD COCCOCC(=O)NNC(=O)NCC1CC1 733139780 RBXROSFZSRMUCT-UHFFFAOYSA-N 245.279 -0.610 50 20 BBGD CCNC(=O)N(C)NC(=O)c1cnn(C)c1 770543049 MXCFHHIKTWLCKZ-UHFFFAOYSA-N 225.252 -0.274 50 20 BBGD COC(=O)c1ccc(C=NNC(=O)CO)[nH]1 776779707 PWFOZDXNUKCOFX-UHFFFAOYSA-N 225.204 -0.756 50 20 BBGD CCC(=O)N[C@@H](C)C(=O)NN=c1cc[nH]cc1 780761030 LNTSHIYJCYYBKF-QMMMGPOBSA-N 236.275 -0.139 50 20 BBGD CN1CCO[C@H](C(=O)NNC(=O)CC2CC2)C1 819125882 DNAKVNDAZSKCTO-VIFPVBQESA-N 241.291 -0.736 50 20 BBGD C#C[C@H](C)NC(=O)NNC(=O)COCC 820436489 XPNUVWNXRYUFLI-ZETCQYMHSA-N 213.237 -0.625 50 20 BBGD O=C(NNc1ccncn1)[C@H]1CCOC1 821115541 OFIJPCPZFITTLT-ZETCQYMHSA-N 208.221 -0.044 50 20 BBGD CN(C)CC(=O)NN=Cc1cnc2n1CCC2 853302035 VCBBYUKZZPQCOS-UHFFFAOYSA-N 235.291 -0.159 50 20 BBGD C=C[C@H](O)C(=O)NNC(=S)N[C@H](C)C1CC1 855097182 KVXYBKOOFNBNTQ-SVRRBLITSA-N 243.332 -0.173 50 20 BBGD CC[C@H](C)OCC(=O)NNC(=O)c1cc[nH]n1 855357822 QLZBCEUGTLZAEK-ZETCQYMHSA-N 240.263 -0.014 50 20 BBGD C[C@H](NNC(=O)[C@]1(O)CCOC1)C(F)(F)F 862323029 OTQVVTGERZROSD-FSPLSTOPSA-N 242.197 -0.291 50 20 BBGD CC(C)[C@H](F)C(=O)NNC(=O)[C@H]1CCC(=O)N1 862462177 VGYKQJVYVGOCPR-SVRRBLITSA-N 245.254 -0.594 50 20 BBGD OC[C@@H](NCc1cccc(B(O)O)c1)C1CC1 877045757 ZCWQMSCFCURYPH-GFCCVEGCSA-N 235.092 -0.773 50 20 BBGD CCN1CCC[C@H]1CNC(=S)NNC(N)=O 884003741 KQINDYXHUMDZTB-ZETCQYMHSA-N 245.352 -0.482 50 20 BBGD O=C(CN1CCCC1=O)NNC(=O)C1CC1 919594604 TZWQTEKWMAAGOG-UHFFFAOYSA-N 225.248 -0.834 50 20 BBGD CC[C@@H](CO)NCC(=O)NNC(=O)C(C)(C)C 931772409 OJFVGMNERHQSPW-QMMMGPOBSA-N 245.323 -0.460 50 20 BBGD CC[C@H](C)[C@@H](NNC(=O)C(=O)O)C(=O)OC 1604945110 KTPDRKZQDMTLAV-NTSWFWBYSA-N 232.236 -0.721 50 20 BBGD OB(O)c1cc(O)nc([C@@H]2CCCCN2)c1 1875251754 BHFTXYQDHKLZHJ-QMMMGPOBSA-N 222.053 -0.718 50 20 BBGD CC[C@@H](SC)C(=O)NNC(=O)CN(C)C 153450972 BDCJHASYKBAXKB-SSDOTTSWSA-N 233.337 -0.163 50 20 BBGD O=C(CO)NNC(=O)c1cc(F)cc(F)c1 180952340 RXJNIZZXRVGQHR-UHFFFAOYSA-N 230.170 -0.282 50 20 BBGD N#C[C@@H]1CCC[C@H]1NCc1ccc(B(O)O)o1 585034646 KVQPDGHIOZXWJV-WCBMZHEXSA-N 234.064 -0.259 50 20 BBGD NC(=O)c1ccc(CN2CC[C@H](B(O)O)C2)cc1 585078030 ZWLXSTDGWNYGJO-NSHDSACASA-N 248.091 -0.166 50 20 BBGD COCC(=O)NN=Cc1c[nH]c(C(=O)OC)c1 761824036 JDWPVBJNFBNNRF-UHFFFAOYSA-N 239.231 -0.102 50 20 BBGD O=C(NNC(=O)C1(O)CCC1)C1CCC1 772949007 SXRIBXRHDFGGQP-UHFFFAOYSA-N 212.249 -0.151 50 20 BBGD CCOC(C)(OCC)C(=O)NNC(C)=O 790063581 NIAZDUDFTGPXCJ-UHFFFAOYSA-N 218.253 -0.057 50 20 BBGD C=C[C@H](NNC(=O)c1cnn(C)c1)C(=O)OC 799978510 ILSBXIXWYGZRKB-QMMMGPOBSA-N 238.247 -0.618 50 20 BBGD O=C(NNc1nc[nH]n1)[C@@H]1CCCOC1 816634066 XMSGIFZBVFIDPU-ZCFIWIBFSA-N 211.225 -0.326 50 20 BBGD CCN(CCO)NC(=O)c1cn2cccnc2n1 823847001 QAQPCAKQAYBGSY-UHFFFAOYSA-N 249.274 -0.312 50 20 BBGD CCO/C=C(\C#N)C(=O)NN(C)[C@@H](C)CO 823945998 BZDYZVDDDDCLPB-INTFFVIUSA-N 227.264 -0.226 50 20 BBGD C=CCNC(=O)NNC(=O)[C@H]1CCO[C@H]1C 825517914 BNQDIKMHVBALQM-YUMQZZPRSA-N 227.264 -0.072 50 20 BBGD C=C[C@H](CO)NC(=O)NNC(=O)C(C)(C)C 852086319 PWCHIWNWECVDDZ-SSDOTTSWSA-N 229.280 -0.090 50 20 BBGD Cc1cccnc1NNC(=O)[C@@]1(O)CCOC1 857494149 RTPNOBBXFZROKT-LLVKDONJSA-N 237.259 -0.015 50 20 BBGD C#CCSCC(=O)NN(C)C(N)=O 897277132 GOHVZEHYDXLRDC-UHFFFAOYSA-N 201.251 -0.606 50 20 BBGD COC(=O)N(C)NC(=O)[C@@H]1[C@H]2CCC(=O)[C@H]21 908113122 NBLVINGNMMWSOV-APQOSEDMSA-N 226.232 -0.059 50 20 BBGD Cc1nccn1CC(=O)NN(C)C[C@@H](C)O 910144514 JPGCZDXSVSVEKY-MRVPVSSYSA-N 226.280 -0.465 50 20 BBGD Cc1cc(C(=O)NN(C)C[C@@H](C)O)no1 910179522 YDJSFBNXWNCHLK-ZCFIWIBFSA-N 213.237 -0.060 50 20 BBGD COC(=O)NNC(=O)[C@@H](C)n1cncn1 1116604957 ZDUAWGGSBFPYSQ-RXMQYKEDSA-N 213.197 -0.774 50 20 BBGD Cc1cc(C#N)cnc1C(=O)NN(C)C(N)=O 1117755747 SAKJZZBXBUHXQP-UHFFFAOYSA-N 233.231 -0.083 50 20 BBGD CCNC(=O)NNC(=O)c1[nH]cnc1C 1119098594 RVJXLHPOAMNNHW-UHFFFAOYSA-N 211.225 -0.318 50 20 BBGD Cn1cc(C=NNC(=O)Cc2cc[nH]n2)nn1 1324258917 UFGVAMJVTDVLRV-UHFFFAOYSA-N 233.235 -0.769 50 20 BBGD COC(=O)C(=O)NN=C(C)c1ccc(N)nc1 1324925004 LJOQZLKJYPCMFZ-UHFFFAOYSA-N 236.231 -0.323 50 20 BBGD COCCOC(=O)/C(C#N)=C\c1ncnn1C 1335580989 ILCBULSDVOTRRL-YVMONPNESA-N 236.231 -0.088 50 20 BBGD CC(C)C(=O)NNC(=O)[C@@]1(CN)CCCOC1 1575398632 PPHJUQMQYRLFSG-LLVKDONJSA-N 243.307 -0.455 50 20 BBGD CC[C@@H](C(=O)NN(C)C(N)=O)N(C)C 181058386 MQJDMSYYAQQNMZ-LURJTMIESA-N 202.258 -0.632 50 20 BBGD COC(=O)N(C)NC(=O)C[C@@H]1CCCC(=O)N1 290560609 ZBUIGZSQAAHXIH-ZETCQYMHSA-N 243.263 -0.225 50 20 BBGD CC(C)[C@H](O)C(=O)NNc1cnccn1 291721678 QZGHBUNIJDTQHT-QMMMGPOBSA-N 210.237 -0.063 50 20 BBGD C[C@](O)(CNCc1ccccc1B(O)O)C1CC1 585023074 CJBGYGSCKBFOHV-ZDUSSCGKSA-N 249.119 -0.383 50 20 BBGD C[C@H](OCc1ccccc1)C(=O)NCB(O)O 585061631 BHAWNNDCGKCFNQ-VIFPVBQESA-N 237.064 -0.280 50 20 BBGD CC(C)CC(=O)NNC(=O)[C@@H]1C[C@H]1C(=O)O 736401180 DJRUVKJBCUUCLJ-RNFRBKRXSA-N 228.248 -0.099 50 20 BBGD COCCOC(=O)/C(C#N)=C/c1cn(C)nn1 741468857 MVSNNAUFNKUMRL-VMPITWQZSA-N 236.231 -0.088 50 20 BBGD CC(C)NC(=O)C(=O)NN=C1CCO[C@@H]1C 747754859 GVJUMGPVPMRTIM-SSDOTTSWSA-N 227.264 -0.208 50 20 BBGD CN(NC(=O)c1cnn2ncccc12)C(N)=O 765481338 TZKGJDXTJAISPK-UHFFFAOYSA-N 234.219 -0.615 50 20 BBGD CCNC(=O)NNC(=O)[C@@](C)(O)C1CC1 804301241 CCRMRLJZRJYMSB-VIFPVBQESA-N 215.253 -0.502 50 20 BBGD CCN(CCO)NC(=O)[C@H]1CCO[C@@H]1C 823869152 BCWZEPAXVDNKDE-BDAKNGLRSA-N 216.281 -0.243 50 20 BBGD O=C(NNC(=O)[C@H](O)C1CC1)c1ccc[nH]1 854278910 HWWLSSVWPVTIHQ-MRVPVSSYSA-N 223.232 -0.453 50 20 BBGD CN1CC[C@H](C(=O)NNC(=O)c2cc[nH]n2)C1 855356541 TYEGJCXPGSVNSH-ZETCQYMHSA-N 237.263 -0.878 50 20 BBGD COC(=O)C1(C(=O)NN(C)C[C@@H](C)O)CC1 910158004 CCMKHMZJJRSYRO-SSDOTTSWSA-N 230.264 -0.717 50 20 BBGD C[C@H](Cc1cnc[nH]1)C(=O)NNc1cnnn1C 1118910572 JLHMHMBTCASRMM-SSDOTTSWSA-N 249.278 -0.140 50 20 BBGD O=[N+]([O-])c1cnc(N2CC[C@H](B(O)O)C2)nc1 1261844608 VIEOJUMFOFNKIK-LURJTMIESA-N 238.012 -0.562 50 20 BBGD Cc1ncc(C=NNC(=O)C(N)=O)s1 1317891119 MHBYMCWCKXVNHP-UHFFFAOYSA-N 212.234 -0.613 50 20 BBGD NC(=O)c1ccc(C(=O)NNc2ncccn2)o1 1319458997 QGCDJZWEMGMTGB-UHFFFAOYSA-N 247.214 -0.075 50 20 BBGD COc1ncc(C(=O)NN(C)C(N)=O)cn1 1319887985 KCWWCDFCPYUAOH-UHFFFAOYSA-N 225.208 -0.860 50 20 BBGD COC(=O)C(=O)NN=C1CCOC[C@H]1C 1321234889 AZHPQNTWRJCBQV-ZCFIWIBFSA-N 214.221 -0.312 50 20 BBGD CN(NC(=O)CCCS(C)(=O)=O)C1CC1 1326195253 UJDNCGCZOLIKQU-UHFFFAOYSA-N 234.321 -0.063 50 20 BBGD O=C(C[C@H]1CC(=O)N1)NNC(=O)C1CCCC1 1327754206 RSEOXJGYGGEACB-MRVPVSSYSA-N 239.275 -0.397 50 20 BBGD C[C@@H](C(=O)NNc1ccncn1)n1cncn1 1328675430 SXMBFXFLEHHYHZ-ZETCQYMHSA-N 233.235 -0.228 50 20 BBGD CC(=NNC(=O)NCC(=O)O)c1ccnn1C 1589012556 SUZIMSAXCJIMLX-UHFFFAOYSA-N 239.235 -0.472 50 20 BBGD O=C(CO)NNc1ccccc1C(=O)O 1601330118 MECCUWKZVZGDBA-UHFFFAOYSA-N 210.189 -0.180 50 20 BBGD C[C@H]1C[C@@H]1CNC(=O)NNC(=O)C(=O)O 1609846976 KXSVDBAWPGQCLG-CRCLSJGQSA-N 215.209 -0.943 50 20 BBGD O=C(CO)NNC(=O)c1cccs1 36757582 ZREJYZLAHKOTPT-UHFFFAOYSA-N 200.219 -0.499 50 20 BBGD COCCNC(=S)NNC(=O)NCC1CC1 64937196 MEJNRSYUULFJIB-UHFFFAOYSA-N 246.336 -0.279 50 20 BBGD CCNC(=O)NNC(=O)[C@H]1OCC[C@H]1C 98095341 WORBVNHTFGSDAZ-RQJHMYQMSA-N 215.253 -0.238 50 20 BBGD in-vitro CC(=O)NNC(=O)CNC(=O)CCC(C)C 263889110 YULGJUCQNAOUBB-UHFFFAOYSA-N 229.280 -0.294 50 20 BBGD C[C@H](O)C[C@H](C)NCc1ccccc1B(O)O 585034095 GMNKOWZINXZZFZ-UWVGGRQHSA-N 237.108 -0.385 50 20 BBGD C[C@H]1CCC[C@@H](OCC(=O)NCB(O)O)C1 585060640 UTQIBAAYPMNHHC-DTWKUNHWSA-N 229.085 -0.290 50 20 BBGD O=C(NNC(=O)[C@@H]1C[C@@H]1C(=O)O)NC1CC1 739454855 VTEGWXQIPUPWIR-RITPCOANSA-N 227.220 -0.800 50 20 BBGD CCC(=O)NNC(=O)[C@H](C)N(C)CCC#N 751474513 DSQXWYFKCHDXMC-QMMMGPOBSA-N 226.280 -0.222 50 20 BBGD Cc1noc(C)c1NC(=O)NNC(=O)CO 756286950 NDOJMAGERIWTDZ-UHFFFAOYSA-N 228.208 -0.564 50 20 BBGD CCNC(=O)NNC(=O)[C@H](CC)N(C)C 765119282 MVDPFIKBEXCRKO-ZETCQYMHSA-N 216.285 -0.323 50 20 BBGD O=C(NNc1cnccn1)C1(O)CCC1 775281840 XQJVAFRIPULHLK-UHFFFAOYSA-N 208.221 -0.165 50 20 BBGD CC[C@H](CO)C(=O)NNC(=O)N(C)C 779753471 QAHRJYDINJVBDV-ZCFIWIBFSA-N 203.242 -0.693 50 20 BBGD COCCOCC(=O)NN(C)CCOC 808073214 GGCRKBBDUOVWJR-UHFFFAOYSA-N 220.269 -0.741 50 20 BBGD COCCN(C)NC(=O)C(C)(C)C(N)=O 816561227 PROVRRBIHUFNNE-UHFFFAOYSA-N 217.269 -0.893 50 20 BBGD CC[C@](C)(O)C(=O)NN(C)C[C@@H](C)O 822559154 ZZUDDWCMLLHGSL-APPZFPTMSA-N 204.270 -0.509 50 20 BBGD C=C[C@@H](O)C(=O)NN(C)C(=S)NC 854920231 ALXXMMSFRRXRAF-RXMQYKEDSA-N 203.267 -0.999 50 20 BBGD CC/C=C(\C)C(=O)NNC(=O)[C@H]1CCC(=O)N1 862451438 CIAWXRBGQGOTAN-RXLGXGPVSA-N 239.275 -0.231 50 20 BBGD C#C[C@@H](C)NCc1ccccc1B(O)O 863890435 UMAKTNBXRGBCFM-SECBINFHSA-N 203.050 -0.522 50 20 BBGD C[C@@H](O)C(=O)NNC(=S)NC(C)(C)C 899996323 SFGWBFHMZCXVQD-RXMQYKEDSA-N 219.310 -0.339 50 20 BBGD CNC(=O)NNC(=O)[C@@H](OC)c1cnn(C)c1 1116900568 ORIVJLKJQUYPRX-ZETCQYMHSA-N 241.251 -0.932 50 20 BBGD O=C1CC[C@H](C(=O)NNC(=O)[C@H]2CC2(F)F)N1 1330108647 PUDUSLBBHHCIGU-RFZPGFLSSA-N 247.201 -0.932 50 20 BBGD C#C[C@@H](CC)NC(=O)NNC(=O)c1ncccn1 1347284287 RSXATMGMAIDMRK-QMMMGPOBSA-N 247.258 -0.168 50 20 BBGD C[C@]1(C(=O)NNC(=O)CC2CC2)C[C@H](O)CN1 1573600441 DWZPQVKUFRKLNU-GZMMTYOYSA-N 241.291 -0.953 50 20 BBGD C[C@H](CC=NNC(=O)[C@@H]1COCCO1)C(=O)O 1592463544 CZYLKXHVYQRICQ-SFYZADRCSA-N 244.247 -0.385 50 20 BBGD C[C@H]1CC[C@H](CNC(=O)NNC(=O)C(=O)O)C1 1604697127 AAWNUKDFFZYWGQ-BQBZGAKWSA-N 243.263 -0.162 50 20 BBGD COC(=O)[C@H](C)CC=NNC(=O)NCC(=O)O 1606320004 AZOSVBFAQRXPEP-ZCFIWIBFSA-N 245.235 -0.445 50 20 BBGD COC(=O)NNC(=S)NCCCC(=O)O 1606495107 VBEHYRPXELOKPH-UHFFFAOYSA-N 235.265 -0.414 50 20 BBGD NNC(=O)CCn1nnc2ccccc2c1=O 70153906 UCJWIHOULVDOKT-UHFFFAOYSA-N 233.231 -0.829 50 20 BBGD Cc1ccn(C)c1C(=O)NN(C)C(N)=O 190381047 GMQSBRZPGOYFDB-UHFFFAOYSA-N 210.237 -0.011 50 20 BBGD CN(CC1CC1)C(=O)c1ccc(B(O)O)cc1 584932720 XUGSJQQFCVNBHQ-UHFFFAOYSA-N 233.076 -0.152 50 20 BBGD CCO[C@@H]1C[C@@H]1NCc1ccc(B(O)O)cc1 585039887 ZKEPJHMXVUTTOO-NWDGAFQWSA-N 235.092 -0.367 50 20 BBGD CCC(=O)NNC(=O)[C@@H](C)N1CCCOCC1 732200533 YQEXROVUXVNQKW-SECBINFHSA-N 243.307 -0.345 50 20 BBGD COCCS(=O)(=O)NNC(=O)C(C)C 737757026 SJYOUMPIEBFZMJ-UHFFFAOYSA-N 224.282 -0.761 50 20 BBGD CCN1CCC(=NNC(=O)C(N)=O)[C@@H](C)C1 741451545 JEXNQKOAWIUEQL-ZETCQYMHSA-N 226.280 -0.694 50 20 BBGD CO[C@@H](C)CC(=O)NNC(=O)C1CC1 749561343 HWDFNMKFPCHIBI-LURJTMIESA-N 200.238 -0.031 50 20 BBGD CN(C)C(=O)NNC(=O)C[C@](C)(O)C1CC1 755775713 SXKXGRRTIXCAHH-JTQLQIEISA-N 229.280 -0.160 50 20 BBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@H](C)OC 772039698 QLCXFIUFZSFENP-RNFRBKRXSA-N 246.263 -0.490 50 20 BBGD C[C@H]1C[C@@H](C)O[C@@H]1C(=O)NN(C)C(N)=O 800527398 RJWBPKLYYBFNOF-XVMARJQXSA-N 215.253 -0.158 50 20 BBGD CNC(=O)C1(C(=O)NN(C)CCOC)CC1 808073924 VDLJEOSBHBMZQA-UHFFFAOYSA-N 229.280 -0.878 50 20 BBGD CN(NC(=O)[C@H]1CCCC(=O)N1)C1CC1 819652189 FRSJUJIQYOKGEB-MRVPVSSYSA-N 211.265 -0.220 50 20 BBGD COC[C@H](OC)C(=O)NNC(=O)CC(C)C 820713591 IBJFLXOTAXJCQZ-QMMMGPOBSA-N 232.280 -0.159 50 20 BBGD CN1CCCC[C@H](C(=O)NN(C)C(N)=O)C1=O 821460256 YHPRFEVDWJJGEK-SSDOTTSWSA-N 242.279 -0.713 50 20 BBGD CCC(=O)NNC(=O)[C@H](C)N1CC[C@@H](CN)C1 843348644 VDOLTGUVEFSRME-IUCAKERBSA-N 242.323 -0.787 50 20 BBGD CC[C@@H]1COCC1=NNC(=O)NCC(=O)OC 853331276 MXUCNHDTLBCBTG-SSDOTTSWSA-N 243.263 -0.129 50 20 BBGD COC/C=C\C(=O)NNC(=O)c1cccn1C 864594733 YYSAYLSQRQHRJK-XQRVVYSFSA-N 237.259 -0.011 50 20 BBGD CC(=O)NNC(=O)[C@H]1CCCCN(C)C1=O 873739828 QELRBDYTHGUVMC-MRVPVSSYSA-N 227.264 -0.588 50 20 BBGD COC(=O)N(C)NC(=O)NC[C@@H](C)OC 875735344 FGIMYTRNLXSLRX-ZCFIWIBFSA-N 219.241 -0.066 50 20 BBGD CCN1CCOC[C@@H]1C(=O)NN(C)C[C@@H](C)O 910153587 CKUURQZAUWIRBQ-NXEZZACHSA-N 245.323 -0.949 50 20 BBGD C#CCSCC(=O)NN(CC)CCO 911438548 HXHMVRZFSGQUBB-UHFFFAOYSA-N 216.306 -0.302 50 20 BBGD Cn1ncc(C2CC2)c1CNC(=O)NN 1118548166 IBELOUWHPLBFKB-UHFFFAOYSA-N 209.253 -0.030 50 20 BBGD C[C@@H](CO)N(C)NC(=O)[C@@]1(C)CCOC1 1261911041 QUZTWEAHEHEDNA-WPRPVWTQSA-N 216.281 -0.243 50 20 BBGD CO[C@H](C)C(=O)NNC(=S)NC(C)C 1323583815 PFUHQCCKNZJVET-ZCFIWIBFSA-N 219.310 -0.075 50 20 BBGD Cn1nncc1NNC(=O)[C@H]1C[C@@H](O)C1 1331683466 LGEVELLXXLAZPD-OLQVQODUSA-N 211.225 -0.971 50 20 BBGD CC[C@@H](F)C(=O)NNC(=O)c1ccnnc1 1339046228 UHDLZQYFVHBBAM-SSDOTTSWSA-N 226.211 -0.014 50 20 BBGD C#CCCCC(=O)NNC(=O)[C@@H](C)CN 1574067447 SBBMMPZLESXYTF-QMMMGPOBSA-N 211.265 -0.468 50 20 BBGD COC(=O)N(C)NC(=O)[C@@H]1CCCCN1 1574082616 VLVBQITZMPKBCI-ZETCQYMHSA-N 215.253 -0.142 50 20 BBGD O=C(O)CC(=O)NNC(=O)NCC(F)(F)F 1608664327 PTARFJMQRYUJEY-UHFFFAOYSA-N 243.141 -0.646 50 20 BBGD O=C(NNC(=O)c1ccc[nH]1)c1cnccn1 102491160 KCDASEIHPRCEJK-UHFFFAOYSA-N 231.215 -0.121 50 20 BBGD CCOC(=O)NNC(=O)Cc1ccn[nH]1 120805911 DKLAEXXQHIWCGU-UHFFFAOYSA-N 212.209 -0.271 50 20 BBGD CCO/C=C(/C#N)C(=O)N[C@]1(CO)CCOC1 490844435 QDEGDGIPBQBOND-WDDYJBPVSA-N 240.259 -0.302 50 20 BBGD CCO/C=C(/C#N)C(=O)NCCn1cncn1 490908754 LIUJXXHEWNPSOR-TWGQIWQCSA-N 235.247 -0.162 50 20 BBGD C=CC[C@@H](CO)CNCc1cccc(B(O)O)c1 585033534 DNFRGYSWVNCGHB-GFCCVEGCSA-N 249.119 -0.359 50 20 BBGD C[C@@H](CO)CCCNCc1ccc(B(O)O)o1 585034183 JVAVFMQLELEOLF-SECBINFHSA-N 241.096 -0.542 50 20 BBGD CC(C)NC(=O)NNC(=O)[C@@H]1CN(C)CCO1 746176512 NGIUSZWAHZBKEK-QMMMGPOBSA-N 244.295 -0.944 50 20 BBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)C1CC1 770571158 BDZLVETZFBJNRB-SVRRBLITSA-N 212.249 -0.031 50 20 BBGD O=C(N=c1cc[nH]cc1)NNC1=NCC(O)=C1 815002646 KRBGJAHAIDEJJT-UHFFFAOYSA-N 233.231 -0.016 50 20 BBGD CC(=O)CCC(=O)NN(C)[C@@H](C)CO 823992861 DFVBDIYUQVMUDY-ZETCQYMHSA-N 202.254 -0.301 50 20 BBGD CC(=NNC(=O)C(N)=O)c1ccc(C(=O)O)cc1 825798681 RVEUYWDZPRMBRY-UHFFFAOYSA-N 249.226 -0.290 50 20 BBGD O=C(C#CC1CC1)NNC(=O)c1ncon1 832826179 SPLNNZXLQYYHFQ-UHFFFAOYSA-N 220.188 -0.756 50 20 BBGD CCCNC(=O)NNC(=O)Cc1nonc1C 845302892 ZRZMHHSFPJANMD-UHFFFAOYSA-N 241.251 -0.339 50 20 BBGD Cc1nn(CC(=O)NN(C)C2CC2)c(=O)n1C 848230593 ZCEULEGQUKYRFK-UHFFFAOYSA-N 239.279 -0.984 50 20 BBGD CC[C@H](OC)C(=O)NNC(=O)c1cc[nH]n1 855359058 DIMVGUYDJJCPEA-ZETCQYMHSA-N 226.236 -0.404 50 20 BBGD C[C@H](O)CN(C)NC(=O)c1c[nH]c(C#N)c1 910152226 MMYKOLRUXNDWRI-ZETCQYMHSA-N 222.248 -0.156 50 20 BBGD CC(C)[C@H](NC=O)C(=O)NN(C)C[C@@H](C)O 910183236 LGOGEAVQRGNVEJ-BDAKNGLRSA-N 231.296 -0.899 50 20 BBGD C=CCNC(=S)NNC(=O)[C@@H](O)CCC 929242578 MUZJQVUDBZONHB-ZETCQYMHSA-N 231.321 -0.171 50 20 BBGD Cn1ccnc(NNC(=O)C2(C#N)CCC2)c1=O 1116200505 QCYXENVFPRXXAL-UHFFFAOYSA-N 247.258 -0.083 50 20 BBGD C[C@@H](C(=O)NN=c1cc[nH]cc1)[C@H]1CCC(=O)N1 1328932464 LTNMGFXLTLGFES-PSASIEDQSA-N 248.286 -0.139 50 20 BBGD O=C(CCCn1cncn1)NNc1ccncn1 1332107346 OSORPXHPTMVTNS-UHFFFAOYSA-N 247.262 -0.008 50 20 BBGD CN(C)C(=O)NNC(=O)c1ccc2nc[nH]c2n1 1337753685 STCUYYAXLLTHOI-UHFFFAOYSA-N 248.246 -0.126 50 20 BBGD C=C(C)C[C@H](N)C(=O)NN(C)C(N)=O 1574067024 GBRCIGDRKGLSQU-LURJTMIESA-N 200.242 -0.678 50 20 BBGD O=C(CO)NNC(=O)CC[C@@H]1CCCCO1 180951737 MYRYIXXYBFHUAP-QMMMGPOBSA-N 230.264 -0.525 50 20 BBGD O=C(CO)NNC(=O)[C@H]1Cc2ccccc2O1 182747039 SPIPZJOINAQVPY-SECBINFHSA-N 236.227 -0.870 50 20 BBGD O=C(NNC(=O)N1CCOCC1)C(F)F 278679019 NTKRVDDBIFAICE-UHFFFAOYSA-N 223.179 -0.676 50 20 BBGD COC(=O)N(C)NC(=O)[C@H]1CN(C)CCO1 495760950 IQAFSPQAIMQJDG-SSDOTTSWSA-N 231.252 -0.954 50 20 BBGD COC(=O)NCC(=O)NN(C)C1CC1 496052743 QACAJAHFOZOHNX-UHFFFAOYSA-N 201.226 -0.532 50 20 BBGD CCO[C@@H]1C[C@@H]1C(=O)Nc1cccc(B(O)O)c1 584910881 RVKUAIVACDEEJK-WDEREUQCSA-N 249.075 -0.270 50 20 BBGD CC1(C)[C@@H](O)C[C@H]1NCc1ccc(B(O)O)o1 585036864 QRUCQSWWVRXJBF-BDAKNGLRSA-N 239.080 -0.792 50 20 BBGD Cc1ccc(OCC(=O)NCB(O)O)cc1 585056168 KWCHQYVYWJDHFK-UHFFFAOYSA-N 223.037 -0.498 50 20 BBGD CC(C)CC(=O)NNS(=O)(=O)c1cnc[nH]1 736540348 YEFKZHDEDBUUIV-UHFFFAOYSA-N 246.292 -0.235 50 20 BBGD C[C@@H](C(=O)NNC(=O)NC1CC1)N(C)C 750610069 FXWKUIQFTQYYPQ-LURJTMIESA-N 214.269 -0.571 50 20 BBGD Cc1noc(Cl)c1CC(=O)NNC(=O)CO 753445481 KAZRSNFZKVHRCX-UHFFFAOYSA-N 247.638 -0.681 50 20 BBGD CCCNC(=O)NNC(=O)[C@@H](C)CC(=O)OC 758452536 QYFQKVIWHULGBL-ZETCQYMHSA-N 245.279 -0.074 50 20 BBGD CC(=NNC(=O)CO)c1cn(C)nc1C 776784278 YLUHQQTUBMWSCP-UHFFFAOYSA-N 210.237 -0.439 50 20 BBGD CCNC(=O)CCC(=O)NN=c1cc[nH]cc1 781020235 SGYDBAUJOHGTKS-UHFFFAOYSA-N 236.275 -0.137 50 20 BBGD C[C@@H]1C[C@H]1C(=O)NNC(=O)N1CCN(C)CC1 788169638 SJBYZWDLMYKDKZ-RKDXNWHRSA-N 240.307 -0.369 50 20 BBGD CO[C@@H]1CCC[C@H](CC(=O)NNC(=O)CO)C1 795238592 LJNXBYCHMUOVRO-DTWKUNHWSA-N 244.291 -0.279 50 20 BBGD CCC(=O)NNS(=O)(=O)c1c(C)cnn1C 795281178 RXZAKXZTRGULBG-UHFFFAOYSA-N 246.292 -0.552 50 20 BBGD COC(=O)[C@@H]1C[C@@H]1C(=O)NN(C)C1CC1 819647914 TUFVAEREGICGBC-JGVFFNPUSA-N 212.249 -0.079 50 20 BBGD CCO/C=C(/C#N)C(=O)N[C@H](CO)CN(C)C 819824756 MWTPFJNBZNCMCR-QROTZFDESA-N 241.291 -0.531 50 20 BBGD CCC(=O)N[C@H](C)C(=O)NN(CC)CCO 823846230 GEIOHLNDSHREQL-MRVPVSSYSA-N 231.296 -0.754 50 20 BBGD O=C(NNC(=O)[C@H](O)C1CC1)c1ccncc1 854117589 ASCSLIOUNOEZCW-SECBINFHSA-N 235.243 -0.387 50 20 BBGD C=C[C@@](C)(O)C(=O)NNC(=O)c1cccn1C 854287579 HEFSCYIRVRNOJK-LLVKDONJSA-N 237.259 -0.277 50 20 BBGD CC[C@@H](C)OCC(=O)NNC(=O)c1cc[nH]n1 855357821 QLZBCEUGTLZAEK-SSDOTTSWSA-N 240.263 -0.014 50 20 BBGD Cc1cc(=NNC(=O)CCn2ccnn2)cc[nH]1 862509971 YRBFMQYOUYJVSB-UHFFFAOYSA-N 246.274 -0.063 50 20 BBGD O=C1CC[C@H](C(=O)NN=C[C@@H]2CCCOC2)N1 863149471 AIOYECCPOMXWLI-DTWKUNHWSA-N 239.275 -0.206 50 20 BBGD CN1CC[C@H](NCc2ccc(B(O)O)cc2)C1 877019656 OVSRAFXQVYIMGP-LBPRGKRZSA-N 234.108 -0.840 50 20 BBGD COC(=O)N(C)NC(=O)Cc1cnc[nH]1 908112496 CFPPLIGERIDCRZ-UHFFFAOYSA-N 212.209 -0.318 50 20 BBGD CC(C)[C@@H](O)C(=O)NNC(=O)C1CCOCC1 923064402 VVWOCWXUPGYGJB-SECBINFHSA-N 244.291 -0.423 50 20 BBGD CN(NC(=O)c1nnc(O)nc1O)C1CC1 1118154378 UBSZRKOKMPVOIX-UHFFFAOYSA-N 225.208 -0.978 50 20 BBGD CCNC(=O)N(C)NC(=O)[C@H](N)CCCC#N 1327857435 XDBZTBOZDPZUHE-MRVPVSSYSA-N 241.295 -0.300 50 20 BBGD O=C(NCC1CC1)NNC(=O)c1cccnn1 1334938932 HKHZUZMKEVVXOR-UHFFFAOYSA-N 235.247 -0.169 50 20 BBGD C=C(CC)C(=O)NNC(=O)c1ncon1 1347885182 PSCUMMJVALTRLU-UHFFFAOYSA-N 210.193 -0.203 50 20 BBGD CN(N)C(=O)[C@H]1COc2ccc(O)cc2O1 1573877411 POLSSNFKMBWPRJ-SECBINFHSA-N 224.216 -0.136 50 20 BBGD CCOCC(=O)NN[C@H](C(=O)O)C1CC1 1610035062 JOLZRPBHOLYZLN-QMMMGPOBSA-N 216.237 -0.493 50 20 BBGD O=C(CO)NN=C1CCC[C@H](C(=O)O)C1 1610668154 SNGXWHJKOCWHGR-LURJTMIESA-N 214.221 -0.274 50 20 BBGD CCOC(=O)c1cnc2ccc(B(O)O)cn12 1772769041 KMEUPWFYPHWYNL-UHFFFAOYSA-N 234.020 -0.809 50 20 BBGD NC(=O)NNC(=O)COc1ccc(F)cc1 73189114 NNZJYNROZDFRGI-UHFFFAOYSA-N 227.195 -0.096 50 20 BBGD Cc1nccc(C(=O)NNC(=O)CN(C)C)n1 75653943 UVVBJCJGFUQHPF-UHFFFAOYSA-N 237.263 -0.892 50 20 BBGD CCN1C[C@H](C(=O)NNc2cccnn2)CC1=O 265583885 YVNSJSFWTRQLJC-MRVPVSSYSA-N 249.274 -0.212 50 20 BBGD CNCCC(=O)NNc1nc(C)cc(OC)n1 285846686 XDJMSWXZNMKRBI-UHFFFAOYSA-N 239.279 -0.154 50 20 BBGD NNC(=O)[C@H]1Cc2ccccc2C(=O)O1 364763071 VSFZKZNVKSBDCA-MRVPVSSYSA-N 206.201 -0.242 50 20 BBGD COC(=O)NNS(=O)(=O)CCC1CC1 494469179 JXLMTBKKCZIVBI-UHFFFAOYSA-N 222.266 -0.023 50 20 BBGD O=C(Nc1cccc(B(O)O)c1)[C@@H]1CC1(F)F 584912305 QXMCSLFXHCAMLA-QMMMGPOBSA-N 241.002 -0.040 50 20 BBGD C[C@@H]1CN(C)C[C@@H]1NCc1ccccc1B(O)O 585031488 VXXHWSWXVQWCEB-MFKMUULPSA-N 248.135 -0.594 50 20 BBGD C[C@@H](OCC1CC1)C(=O)N1CC[C@H](B(O)O)C1 585075266 FXURYXBBGRFWTJ-SCZZXKLOSA-N 241.096 -0.123 50 20 BBGD CCS(=O)(=O)CC(C)=NNC(=O)NC 733747107 KABVTMBNDHWGBS-UHFFFAOYSA-N 221.282 -0.274 50 20 BBGD Cc1oc(C)c(C(=O)NNC(=O)CO)c1C 753438892 SSEAVGRNUVJDTJ-UHFFFAOYSA-N 226.232 -0.042 50 20 BBGD CN(NC(=O)CN(C)[C@@H]1CCSC1)C(N)=O 778412977 ZIRCJYDQAUPOMT-SSDOTTSWSA-N 246.336 -0.535 50 20 BBGD CC[C@@H](C)[C@H](OC)C(=O)NNC(=O)CO 795240030 XGMHLYPGQGFXLT-SVRRBLITSA-N 218.253 -0.813 50 20 BBGD CNC(=O)NNC(=O)[C@@H]1O[C@H](C)C[C@@H]1C 800328523 PKPISZODSYNJEX-RRKCRQDMSA-N 215.253 -0.240 50 20 BBGD COC[C@H](C)[C@@H](C)C(=O)NN(C)C(N)=O 812542378 ZIHZQLBHXASVEZ-NKWVEPMBSA-N 217.269 -0.053 50 20 BBGD COCCCNC(=O)NN=Cc1cnn(C)n1 814819134 CFAADCLHVBLLPU-UHFFFAOYSA-N 240.267 -0.515 50 20 BBGD C[C@H](CO)N(C)NC(=O)C1CSC1 823912464 GWSPAUVAJXQMFI-ZCFIWIBFSA-N 204.295 -0.307 50 20 BBGD COC(=O)NC(C)(C)C(=O)NN(C)C[C@H](C)O 824156195 VWSWMQGXWYMEHH-ZETCQYMHSA-N 247.295 -0.535 50 20 BBGD CC(C)=CC(=O)NNC(=O)c1ncon1 832821012 FUTICBKBCJBHHY-UHFFFAOYSA-N 210.193 -0.203 50 20 BBGD COC[C@@](C)(O)C(=O)NN[C@H](C)C(F)(F)F 862311693 RDBZDSNODZNIMT-IYSWYEEDSA-N 244.213 -0.045 50 20 BBGD C[C@H](NNC(=O)c1nc[nH]n1)C(F)(F)F 862314745 IPWIURDUEFJADK-VKHMYHEASA-N 223.158 -0.010 50 20 BBGD O=C(c1cccc(B(O)O)c1)N1CC(F)(F)C1 863879337 YQLWQHRSEQRBGJ-UHFFFAOYSA-N 241.002 -0.543 50 20 BBGD COC(=O)CC(=O)NNC(=O)[C@H]1CCCCO1 908516372 AYVJYISRXNLYBX-SSDOTTSWSA-N 244.247 -0.734 50 20 BBGD C[C@H](O)CN(C)NC(=O)Cc1ncc[nH]1 910145980 AFNTVVUWHIEKLB-ZETCQYMHSA-N 212.253 -0.704 50 20 BBGD C[C@@H](O)CN(C)NC(=O)c1cnn2ncccc12 910151668 HVZMGBUXDNSWGL-MRVPVSSYSA-N 249.274 -0.313 50 20 BBGD Cc1ncc(C(=O)NN(C)C[C@@H](C)O)[nH]1 910168091 OLSMGPGCETVUKA-ZCFIWIBFSA-N 212.253 -0.324 50 20 BBGD C/C=C\C(=O)NNC(=O)CN1CCCC1=O 913730226 MXUDWMHGFQRGBT-RQOWECAXSA-N 225.248 -0.668 50 20 BBGD CCNC(=O)NNC(=O)[C@H]1CC(=O)N(CC)C1 920858465 NQHCQWSRJVAVOR-ZETCQYMHSA-N 242.279 -0.795 50 20 BBGD CN(CCCC(=O)NN)C(=O)c1ccncc1 1263104451 IMWYIXSQJQACNW-UHFFFAOYSA-N 236.275 -0.076 50 20 BBGD COC(=O)NNC(=O)C[C@@H]1CCOC1 1320256656 AEPHEQCRQUFUPT-LURJTMIESA-N 202.210 -0.200 50 20 BBGD COCCN(C)NC(=O)C[C@H]1CCC(=O)NC1 1327662578 OCSUBYRDNAFGCU-SECBINFHSA-N 243.307 -0.488 50 20 BBGD Cc1nn[nH]c1C(=O)NNC(=O)NC1CC1 1344083729 KSKUNDRXNAQQCN-UHFFFAOYSA-N 224.224 -0.780 50 20 BBGD Cc1cc(NNC(=O)[C@H](C)N)nc(N)n1 1574086533 PMDLYSDDTQQROX-YFKPBYRVSA-N 210.241 -0.842 50 20 BBGD Cc1cc(NNC(=O)[C@H]2CCCN2)nc(N)n1 1574144108 KRRVVTCVAFAWTN-SSDOTTSWSA-N 236.279 -0.438 50 20 BBGD Cc1cc(C(=O)NNC(=O)[C@H]2CCCO2)[nH]n1 130351812 AKAYMEOHHQMITB-MRVPVSSYSA-N 238.247 -0.342 50 20 BBGD CC(C)CNC(=O)CNS(=O)(=O)CCl 161531919 OANRFJXFUFKDDD-UHFFFAOYSA-N 242.728 -0.126 50 20 BBGD COC(=O)N(C)NC(=O)[C@H]1CCOC1 286173637 BYQRXMQAUDWMIG-LURJTMIESA-N 202.210 -0.248 50 20 BBGD Cc1cc(F)ccc1S(=O)(=O)NCB(O)O 585055184 ZHOOUQRGAJBDNE-UHFFFAOYSA-N 247.056 -0.576 50 20 BBGD O=C(COc1ccc(F)cc1F)NCB(O)O 585060756 JJWRFSZQMIOXGW-UHFFFAOYSA-N 244.990 -0.528 50 20 BBGD O=C(NCB(O)O)c1ncc2c(F)cccn12 585062207 DEGNEFONZUZAJG-UHFFFAOYSA-N 236.999 -0.785 50 20 BBGD OB(O)[C@H]1CCN(c2ncnc3n[nH]cc23)C1 585074143 VBTFMTUBSREGTO-LURJTMIESA-N 233.040 -0.594 50 20 BBGD C[C@@H](CNC(=O)CCl)S(C)(=O)=O 697584987 KAKJGJVNXYNEAQ-YFKPBYRVSA-N 213.686 -0.226 50 20 BBGD CN(C)CC(=O)NN=Cc1cnn(C)c1 727647869 LRGVIQRVIWKEBB-UHFFFAOYSA-N 209.253 -0.568 50 20 BBGD O=C(CO)NN=Cc1cc2c(cc1O)OCO2 776776643 JSZMHWZROUPTDN-UHFFFAOYSA-N 238.199 -0.437 50 20 BBGD COC(=O)CNC(=O)NN=C(C)CCCO 814901061 VWPDKJBLUCAZSL-UHFFFAOYSA-N 231.252 -0.393 50 20 BBGD O=C(NNc1nc2ccccn2n1)[C@H]1C[C@@H](O)C1 822383423 CLOAJJWWALQEDO-OCAPTIKFSA-N 247.258 -0.057 50 20 BBGD COCCN(C)NC(=O)[C@@]1(C)CCNC1=O 822842966 GABHIMYOGVMVHR-JTQLQIEISA-N 229.280 -0.878 50 20 BBGD O=C(Cc1ncc[nH]1)NNC(=O)NCC1CC1 823804328 NEVLDKQUGXWPQL-UHFFFAOYSA-N 237.263 -0.307 50 20 BBGD C[C@H](CC(=O)O)C(=O)NNC(=O)C1CC1 827303662 HLLTUXHZKBIHLE-RXMQYKEDSA-N 214.221 -0.345 50 20 BBGD Cc1cccnc1NNC(=O)[C@@H]1CCNC1=O 834348533 NRQARJWYXKPFBK-MRVPVSSYSA-N 234.259 -0.031 50 20 BBGD C[C@@H]1OCC[C@@H]1C(=O)NNS(=O)(=O)C1CC1 842593770 XMAQJCFQOPQZDY-XPUUQOCRSA-N 248.304 -0.476 50 20 BBGD C=C[C@H](C)NC(=O)NNC(=O)[C@@H]1CCC(=O)N1 858292531 AUETUHLCSZEEGH-BQBZGAKWSA-N 240.263 -0.830 50 20 BBGD CO[C@H](C)C(=O)NNC(=O)c1cn[nH]c1 862474066 FFTXTCHXCPPAFC-RXMQYKEDSA-N 212.209 -0.794 50 20 BBGD CCOC(=O)CC(=O)NNC(=O)c1cn[nH]c1 862475072 XXFXGCIKNRKKRH-UHFFFAOYSA-N 240.219 -0.876 50 20 BBGD CN1C(=O)CCC[C@@H]1C(=O)NNc1ccncn1 908551012 LVHSTSJDFDNLIL-MRVPVSSYSA-N 249.274 -0.069 50 20 BBGD COC(=O)C(=O)NN=C(C)c1cn(C)nc1C 1116192215 ZWCSBNVBHBUUTB-UHFFFAOYSA-N 238.247 -0.258 50 20 BBGD Cn1cc(C=NNC(=O)C2CCOCC2)nn1 1330905471 YNDOFBRTBUDXAO-UHFFFAOYSA-N 237.263 -0.308 50 20 BBGD C[C@@H](CN)C(=O)NNc1ccc(C#N)cn1 1574067346 QJYLNPDCRRCGMA-ZETCQYMHSA-N 219.248 -0.009 50 20 BBGD CO[C@@H](C(=O)O)C(=O)NN(C)C1CC1 1604435850 ZFKPSUXYBLJDNZ-ZCFIWIBFSA-N 202.210 -0.789 50 20 BBGD C[C@H](C(=O)O)C(=O)NNC(=O)C1CCC1 1609700809 CNZFRHNAZHAJQR-YFKPBYRVSA-N 214.221 -0.345 50 20 BBGD Cc1ccc(C(=O)NCC(=O)NN)s1 36962706 IAGSFUJRKGYQEQ-UHFFFAOYSA-N 213.262 -0.224 50 20 BBGD CNC(=O)NNC(=O)CSCC#N 48950554 UGSITFFVJKWMAI-UHFFFAOYSA-N 202.239 -0.797 50 20 BBGD CCN(CC)CC(=O)NNC(=O)OC 158722534 JGUONXWRQWOSGE-UHFFFAOYSA-N 203.242 -0.285 50 20 BBGD OB(O)c1ccc(CNCCCOC(F)F)o1 585041562 DXHDTMBAAVFCDJ-UHFFFAOYSA-N 249.022 -0.322 50 20 BBGD C=CCOc1ccc(C(=O)NCB(O)O)cc1 585062533 UFBRLPSTFWCCPB-UHFFFAOYSA-N 235.048 -0.007 50 20 BBGD COc1nccc(CN2CC[C@@H](B(O)O)C2)n1 585077769 WSJCHPNKGUVWKX-MRVPVSSYSA-N 237.068 -0.466 50 20 BBGD O=C(CO)NNC(=O)c1c[nH]c2ccccc12 753443258 WTIQTKCLHLGPKJ-UHFFFAOYSA-N 233.227 -0.079 50 20 BBGD CCCNC(=S)NNC(=O)NCC(=O)OC 779720516 JVOIPOAGVNXHLJ-UHFFFAOYSA-N 248.308 -0.752 50 20 BBGD Cc1nc(C(=O)NNC(=O)c2cnn(C)c2)co1 801619834 AOPQMSLNXRDCDY-UHFFFAOYSA-N 249.230 -0.209 50 20 BBGD CCN(CCO)NC(=O)c1ccnc(OC)n1 823376688 IDWBKLAHGRZQKP-UHFFFAOYSA-N 240.263 -0.556 50 20 BBGD CNC(=O)NNC(=O)[C@@H](C)CC(=O)O 831000657 KFDUZTUFGVDDPP-BYPYZUCNSA-N 203.198 -0.943 50 20 BBGD C[C@@H]1OCC[C@@H]1C(=O)NN=Cc1cnnn1C 842556138 RVNGMDQFLUJBBF-CBAPKCEASA-N 237.263 -0.310 50 20 BBGD CCC(=O)NNC(=O)[C@H](C)N1CCC[C@H](N)C1 843345356 CDPSTUHRTYKIHV-IUCAKERBSA-N 242.323 -0.645 50 20 BBGD CN1CC[C@@H]1CNCc1ccccc1B(O)O 896594343 AJPISRZPERQGBA-LLVKDONJSA-N 234.108 -0.840 50 20 BBGD CC[C@H](NNC(=O)c1cccnn1)C(=O)OC 905793208 MKWGJOIPZQPJTO-ZETCQYMHSA-N 238.247 -0.337 50 20 BBGD CNC(=O)C1(C(=O)NNc2cccnn2)CC1 1320339573 OVPGZIUNDSDTGQ-UHFFFAOYSA-N 235.247 -0.554 50 20 BBGD Cc1nc(CC(=O)NNC(=O)C2CC2)n[nH]1 1327755075 KDKNADPNKFDWPG-UHFFFAOYSA-N 223.236 -0.787 50 20 BBGD C[C@@H](C(=O)NN(C)[C@H](C)CO)n1cncn1 1330261204 KZFTWSSYFXWJOE-SFYZADRCSA-N 227.268 -0.817 50 20 BBGD CN1CCCC(=NNC(=O)NCC(=O)O)CC1 1598595289 NDMIWIYHMJJFTE-UHFFFAOYSA-N 242.279 -0.158 50 20 BBGD Cn1cc(/C=C(/C#N)C(=O)OCC(=O)O)cn1 1605490796 BYNIQNMJDUTOII-WAPJZHGLSA-N 235.199 -0.045 50 20 BBGD Cc1oc(C=NNC(=O)C(N)=O)cc1C(=O)O 1608042978 KNLAEKDRIUWZBU-UHFFFAOYSA-N 239.187 -0.778 50 20 BBGD CCN1CCO[C@@H](C(=O)NNC(=O)N(C)C)C1 365769269 NVNVJGYCGKWHPE-MRVPVSSYSA-N 244.295 -0.991 50 20 BBGD CN(C)CCCNCc1cccc(B(O)O)c1 585014622 XODHVQAKXOHEPH-UHFFFAOYSA-N 236.124 -0.592 50 20 BBGD CN1CC[C@H](C(=O)NNC(=O)C2CC2)C1 729283960 YZBVAQVNJFABOB-QMMMGPOBSA-N 211.265 -0.505 50 20 BBGD Cc1nn(C)cc1C(=O)NNC(=O)C1CC1 733252225 IWWGNFLCGFTBGF-UHFFFAOYSA-N 222.248 -0.100 50 20 BBGD O=C(NNC(=O)[C@@H]1C[C@@H]1C(=O)O)C1CC1 739453050 BCFDQXWRNMIBBH-RITPCOANSA-N 212.205 -0.736 50 20 BBGD COCC1(C(=O)NN(C)C(N)=O)CCC1 786502876 DQLAXMFYUSDASM-UHFFFAOYSA-N 215.253 -0.155 50 20 BBGD Cn1ccc(C=NNC(=O)CN2CCCC2=O)n1 814761346 URABMVZIHNHKEU-UHFFFAOYSA-N 249.274 -0.507 50 20 BBGD C[C@H](CO)N(C)NC(=O)c1cccc(C#N)n1 823923708 URMFYDKQZCCYBJ-MRVPVSSYSA-N 234.259 -0.089 50 20 BBGD C[C@H](CO)N(C)NC(=O)[C@H]1C[C@H]2CC[C@H]1O2 823960125 WKBRLHBTCGKDCR-DOLQZWNJSA-N 228.292 -0.102 50 20 BBGD CO[C@@H](CC(=O)NNC(=O)CO)C(F)(F)F 846636900 SJZQGMVQBOMWGY-BYPYZUCNSA-N 244.169 -0.907 50 20 BBGD C=C[C@@H](O)C(=O)NNC(=O)NCC(F)(F)F 847114853 DMZYDBLDKKUGGN-SCSAIBSYSA-N 241.169 -0.574 50 20 BBGD CCNC(=O)N(C)NC(=O)[C@@H]1CCO[C@@H]1CN 852884816 OXYOMRVFJHGKKU-HTQZYQBOSA-N 244.295 -0.957 50 20 BBGD COCCN(C)NC(=O)[C@@H](C)[C@H]1CCC(=O)N1 861656983 HWRGYPVHGCENTD-DTWKUNHWSA-N 243.307 -0.490 50 20 BBGD O=C(C=C1CCC1)NNC(=O)[C@@H]1CCC(=O)N1 862456026 LTLZYKHHVNRGKZ-QMMMGPOBSA-N 237.259 -0.477 50 20 BBGD C[C@@H]1CN(C)CC1=NNC(=O)CS(C)(=O)=O 863187374 JHNJEVHPHTYLQR-SSDOTTSWSA-N 247.320 -0.915 50 20 BBGD CCO[C@@H]1CCCC(=NNC(=O)C(N)=O)C1 905419476 RSWYNLVXEBISTA-MRVPVSSYSA-N 227.264 -0.077 50 20 BBGD CCO[C@@H](C)C(=O)NN(C)C[C@@H](C)O 910170333 KDNXLOZEMAMFLH-SFYZADRCSA-N 204.270 -0.245 50 20 BBGD COC(=O)c1ccc(C=NNC(=O)CCO)[nH]1 1116205006 JWWOWNIFJALKJP-UHFFFAOYSA-N 239.231 -0.366 50 20 BBGD CCNC(=O)N(C)NC(=O)c1csnn1 1116614774 NGPOGNAVRUQMRP-UHFFFAOYSA-N 229.265 -0.156 50 20 BBGD COC(=O)N(C)NC(=O)[C@H](C)S(C)(=O)=O 1117157194 GYSAYCAOBFIPRL-YFKPBYRVSA-N 238.265 -0.851 50 20 BBGD NC(=O)c1ccc(N2CC[C@@H](B(O)O)C2)nc1 1118916701 SAMMBCBJVAHKRN-MRVPVSSYSA-N 235.052 -0.766 50 20 BBGD Cn1ccnc(NNC(=O)[C@@H]2CCOC2)c1=O 1319052777 NSTBEUMKMLRVEF-SSDOTTSWSA-N 238.247 -0.740 50 20 BBGD CNC(=O)NNC(=O)c1ccc(C=O)[nH]1 1319405361 YAASMLLVJYBZMS-UHFFFAOYSA-N 210.193 -0.599 50 20 BBGD Cc1cc(CC(=O)NNC(=O)[C@@H]2C[C@@H]2F)n[nH]1 1347704439 LHQIIGMQPAMARE-SFYZADRCSA-N 240.238 -0.234 50 20 BBGD Cn1ccc(NNC(=O)c2cnc(N)cn2)n1 1579973123 SBFJQWXBHRPEAQ-UHFFFAOYSA-N 233.235 -0.451 50 20 BBGD CC(=O)NN[C@@H](C(=O)O)c1cccnc1 1589150385 OWDKXRAGMCCJSS-MRVPVSSYSA-N 209.205 -0.152 50 20 BBGD CC[C@H](NNC(=O)c1cccnn1)C(=O)O 1595306223 WZGQOQKNXQSGQG-LURJTMIESA-N 224.220 -0.426 50 20 BBGD COC(=O)C[C@@H](C)C(=O)NNC(=O)C1CC1 268174697 RDBGBVSBJVVOPA-ZCFIWIBFSA-N 228.248 -0.257 50 20 BBGD CCO/C=C(\C#N)C(=O)N[C@H](CCO)COC 270283593 YNNUNVULMSDBAS-TTZKWOQHSA-N 242.275 -0.056 50 20 BBGD CCn1ccc(C(=O)NNC(=O)OC)n1 497012933 WJZKGPKALWJBPD-UHFFFAOYSA-N 212.209 -0.096 50 20 BBGD O=C(NNC(=O)[C@H]1CCCO1)c1ncccn1 742244433 HBLNOXHMIORJPN-SSDOTTSWSA-N 236.231 -0.583 50 20 BBGD CCn1nccc1C=NNC(=O)COC 753708808 JVLZBWVSQNEIFK-UHFFFAOYSA-N 210.237 -0.001 50 20 BBGD CC(C)CC(=O)NNC(=O)[C@H]1CCN(C)C1=O 772018956 VUWSAKCPRWEMBF-MRVPVSSYSA-N 241.291 -0.342 50 20 BBGD CCS(=O)(=O)N[C@H](C)C(=O)NN(C)C1CC1 854984797 IEMGCKQYOISOGD-SSDOTTSWSA-N 249.336 -0.560 50 20 BBGD CO[C@@H](C)C(C)=NNC(=O)[C@H]1CCC(=O)N1 863149001 OLRMCDAJGZMYPY-JGVFFNPUSA-N 227.264 -0.208 50 20 BBGD CCN1C[C@H](C(=O)NN(C)C[C@@H](C)O)CC1=O 910174190 SDPKBRWAHCCQSJ-RKDXNWHRSA-N 243.307 -0.801 50 20 BBGD C[C@H]1COC[C@H]1NC(=O)c1cccc(B(O)O)c1 928887728 YEVZBIVRJQJZLO-GZMMTYOYSA-N 249.075 -0.869 50 20 BBGD C[C@H](C#N)C(=O)NNC(=O)C1CCOCC1 1119664827 IOWFCMMWRJGZEW-SSDOTTSWSA-N 225.248 -0.280 50 20 BBGD Cc1ncc(C(=O)NNC(=O)N(C)C)[nH]1 1253640468 BHLIAANIRWXCDG-UHFFFAOYSA-N 211.225 -0.366 50 20 BBGD O=C(NNc1ccccn1)c1cnn[nH]1 1319869744 HTOHYWAVPHRWLG-UHFFFAOYSA-N 204.193 -0.043 50 20 BBGD O=C(CO)NNC(=O)c1snnc1C1CC1 1327560203 PTUNPSAUDNPAIG-UHFFFAOYSA-N 242.260 -0.831 50 20 BBGD CC[C@H](NC(=O)NNC(=O)C(=O)O)C1CC1 1595253603 UVTYTPKAULRMNT-LURJTMIESA-N 229.236 -0.410 50 20 BBGD C=C[C@H](NNC(=O)c1cnccn1)C(=O)O 1602819421 VOCMCYBZPXFTMC-LURJTMIESA-N 222.204 -0.650 50 20 BBGD C[C@H](O)CN(C)NC(=O)[C@H]1C[C@H]1C(=O)O 1604387256 SUMNEHTVNSGFTC-LYFYHCNISA-N 216.237 -0.949 50 20 BBGD CN(C)c1ncc(C=NNC(=O)C(=O)O)cn1 1610107126 NGUJMAJQXCTBFH-UHFFFAOYSA-N 237.219 -0.923 50 20 BBGD CNC(=O)NNC(=O)c1c(C)noc1C 48950401 QEFCBUVKCUQVJG-UHFFFAOYSA-N 212.209 -0.135 50 20 BBGD COCCN(C)CCNS(=O)(=O)CCl 82513308 ZACQGIRSHIFMQN-UHFFFAOYSA-N 244.744 -0.320 50 20 BBGD CNC(=O)NNC(=O)C1=C(C)OCCS1 283059011 ORWTXLNAIVNLSK-UHFFFAOYSA-N 231.277 -0.059 50 20 BBGD CC[C@H](C(=O)NN(C)C(=O)OC)C(=O)OC 286464364 UBONGNOONUTRNX-ZCFIWIBFSA-N 232.236 -0.085 50 20 BBGD COC(=O)N(C)NC(=O)[C@]1(F)CCOC1 496382604 DROADUKWRWHEMZ-QMMMGPOBSA-N 220.200 -0.156 50 20 BBGD CO[C@@H](C)[C@H](C)NCc1ccc(B(O)O)cc1 585037231 UUVUQIHMFNDJFF-UWVGGRQHSA-N 237.108 -0.121 50 20 BBGD O=C(C[C@H]1C[C@H]2CC[C@H]1C2)NCB(O)O 585057123 MHJXZFPRFVHVHR-XHNCKOQMSA-N 211.070 -0.059 50 20 BBGD C/C=C/C(=O)NNC(=O)C(=O)NC(C)C 726613106 NDJSOBOETULQFV-SNAWJCMRSA-N 213.237 -0.766 50 20 BBGD CC(CS(C)(=O)=O)=NNC(=O)C(F)F 782237832 OFBZPBMQAIXVJG-UHFFFAOYSA-N 228.220 -0.212 50 20 BBGD CC(=NNC(=O)CN(C)C)c1cc[nH]n1 814832029 BRBRJDXGJGPCFM-UHFFFAOYSA-N 209.253 -0.189 50 20 BBGD C[C@@H](CO)N(C)NC(=O)[C@H]1CCCCN1C 823935209 PCCRBUCDQFSJIE-VHSXEESVSA-N 229.324 -0.186 50 20 BBGD CC(C)(C(=O)NNC(=O)CO)C1CCC1 827893441 DSBDCFPHGPKMFY-UHFFFAOYSA-N 214.265 -0.048 50 20 BBGD O=C1NCC[C@@H]1C(=O)NN=c1cc[nH]cc1 831868623 ZHKATKSYZDVCOB-QMMMGPOBSA-N 220.232 -0.917 50 20 BBGD C=CCOCC(=O)NNC(=O)[C@H]1CCO[C@H]1C 843654020 YTARHDKZXSRITL-IUCAKERBSA-N 242.275 -0.239 50 20 BBGD NC(=O)c1ccc(N2CC[C@H](B(O)O)C2)nc1 1118916702 SAMMBCBJVAHKRN-QMMMGPOBSA-N 235.052 -0.766 50 20 BBGD O=C(NNC(=O)N1CC[C@@H]1CO)C1CCCC1 1263100341 LMLJKOQXUKSRJP-SECBINFHSA-N 241.291 -0.016 50 20 BBGD O=C1CC[C@@H](C(=O)NNc2ncccn2)CN1 1317966457 KXYYEYHDLSLUON-SSDOTTSWSA-N 235.247 -0.554 50 20 BBGD O=C(NCCn1cncn1)NNc1cccnn1 1328926635 WLLQKXGLQOKRRR-UHFFFAOYSA-N 248.250 -0.606 50 20 BBGD C[C@H](NC(=O)c1cccc(B(O)O)c1)C(F)F 1468858882 ZZMALSHNHSEAIC-LURJTMIESA-N 243.018 -0.250 50 20 BBGD NCCNC(=O)NNC(=O)c1ccccc1F 1574278167 MJGFUOPZWKKHOO-UHFFFAOYSA-N 240.238 -0.272 50 20 BBGD C=C(CCC(=O)O)C(=O)NN(C)C[C@@H](C)O 1588630577 RSEDDZGIDUTHNB-MRVPVSSYSA-N 230.264 -0.249 50 20 BBGD CNC(=O)[C@H](C)NS(=O)(=O)CCCCl 42576497 YUMBIZSNNLQVOS-LURJTMIESA-N 242.728 -0.331 50 20 BBGD O=C(CN1CCC[C@H](O)C1)NNC(=O)C1CC1 112975544 CTUIHEKUVOKDLH-VIFPVBQESA-N 241.291 -1.000 50 20 BBGD O=C(NNC(=O)[C@H]1CCOC1)c1ccc[nH]1 119507080 IZHCQFVIPIBRPF-ZETCQYMHSA-N 223.232 -0.188 50 20 BBGD CO[C@@H](C)C(=O)NNC(=O)c1cc(C)n[nH]1 151164385 VFLGEIPMZVIOBV-LURJTMIESA-N 226.236 -0.486 50 20 BBGD COCCC(=O)NNC(=O)c1cccnc1 171348668 XXLLNCWMGXWOCM-UHFFFAOYSA-N 223.232 -0.121 50 20 BBGD C#CCCCC(=O)NNC(=O)N1CCOCC1 192097127 YMYBHQJDIYHZFY-UHFFFAOYSA-N 239.275 -0.137 50 20 BBGD COC(=O)NNC(=O)[C@@H](NC(=O)OC)C(C)C 274293973 NZZHTLGOPWCHHP-LURJTMIESA-N 247.251 -0.246 50 20 BBGD NC(=O)N1CC[C@@H](NC(=O)CCl)C1 306625763 HAWUKDGLJBJBQP-RXMQYKEDSA-N 205.645 -0.506 50 20 BBGD O=C(c1cc(B(O)O)ccc1F)N1CC=CCC1 584972198 POYDOYRUPXSOPW-UHFFFAOYSA-N 249.050 -0.092 50 20 BBGD CCC(=NNC(=O)C(N)=O)[C@H]1CCOC1 741838476 WFFWSWGOEXXZAD-LURJTMIESA-N 213.237 -0.610 50 20 BBGD CCNC(=O)CC(=O)NN(C)C(=O)NCC 768413510 SJRPYXOIEXVIFF-UHFFFAOYSA-N 230.268 -0.795 50 20 BBGD CNC(=O)NNC(=O)[C@H](OC)C(C)C 771265511 JUYRBVREIUWCIW-ZCFIWIBFSA-N 203.242 -0.382 50 20 BBGD CC(=O)NNC(=O)c1cccc(O)c1O 790472053 OMEGQJVSQDGPJJ-UHFFFAOYSA-N 210.189 -0.121 50 20 BBGD CCC(=O)NNS(=O)(=O)C[C@H](C)OC 800831117 QPYJZGPETGARHP-LURJTMIESA-N 224.282 -0.618 50 20 BBGD O=C1CC[C@H](C(=O)NNc2ncccc2F)N1 804212485 WRJFHKRNNGAQRC-SSDOTTSWSA-N 238.222 -0.058 50 20 BBGD CCOC(=O)NNC(=O)[C@H]1CC[C@@H]1C(N)=O 816829638 YPISDTAPUGWXEV-WDSKDSINSA-N 229.236 -0.725 50 20 BBGD CCN(CCO)NC(=O)[C@@H](C)n1cncn1 823842767 XPBPHMZYWXRDNZ-MRVPVSSYSA-N 227.268 -0.816 50 20 BBGD NNC(=O)C[C@H](NC(N)=O)c1ccccc1 838139527 NKBJXWPNKQSLGJ-QMMMGPOBSA-N 222.248 -0.224 50 20 BBGD CC[C@@H](NC(C)=O)C(=O)NNC(=O)OC 878000225 SWKKRFWGAOLUPU-ZCFIWIBFSA-N 217.225 -0.712 50 20 BBGD C#CCCCC(=O)NNC(=O)c1ccnn1C 887142912 FAKLJUFWYZOWBH-UHFFFAOYSA-N 234.259 -0.015 50 20 BBGD CN(C)C(=O)NNC(=O)c1ccncc1 1115915375 FETJSRQZFMREPE-UHFFFAOYSA-N 208.221 -0.002 50 20 BBGD CNC(=S)NNC(=O)c1cnn(C)c1 1116085305 ZFWHYMQWTBBUHP-UHFFFAOYSA-N 213.266 -0.841 50 20 BBGD CNC(=O)NNC(=O)c1cnn(C(F)F)c1 1261847859 GOXQFQDYXGFHKL-UHFFFAOYSA-N 233.178 -0.148 50 20 BBGD CNC(=O)NNC(=O)c1cnc(N(C)C)cn1 1319734831 DXDOVHVXOIIVOO-UHFFFAOYSA-N 238.251 -0.884 50 20 BBGD CNC(=O)NNC(=O)c1cnccc1C 1322071861 OBLNOKUOQUYZPR-UHFFFAOYSA-N 208.221 -0.036 50 20 BBGD CNC(=O)NNC(=O)C[C@@H]1CCC(=O)[C@@H]1C 1324974986 DMWZYNDAEYCPPG-RQJHMYQMSA-N 227.264 -0.048 50 20 BBGD Cn1cc(C(=O)NNC(=O)[C@H]2CCOC2)cn1 1328625548 GUZMTSIZUYNAQI-ZETCQYMHSA-N 238.247 -0.782 50 20 BBGD C=C(C)CCC(=O)NNC(=O)[C@@H]1CCC(=O)N1 1335992250 BRAHWKYVCMSUGP-QMMMGPOBSA-N 239.275 -0.231 50 20 BBGD CO[C@@H](C(=O)O)C(=O)NNC(=O)OC(C)(C)C 1574103740 ABGNHTHZDCIABI-RXMQYKEDSA-N 248.235 -0.358 50 20 BBGD CN(NC(=O)C12CC(C(=O)O)(C1)C2)C(N)=O 1606179300 MFZXODNXVNGZOS-UHFFFAOYSA-N 227.220 -0.717 50 20 BBGD CCNC(=O)CN1CCN(C(=O)CCl)CC1 37654289 POMQAWYRBNUWCI-UHFFFAOYSA-N 247.726 -0.495 50 20 BBGD O=S(=O)(Cc1ccccc1)NCB(O)O 170136312 TTWWUAQISBIHPB-UHFFFAOYSA-N 229.066 -0.882 50 20 BBGD in-vitro CC(C)(C)OC(=O)NNC(=O)CCNC(N)=O 263751248 XNKRUPWYDZOQIW-UHFFFAOYSA-N 246.267 -0.399 50 20 BBGD COC(=O)N(C)NC(=O)[C@@H]1CC[C@H]1C(N)=O 496233251 BMNPRAQXZRWSSV-PHDIDXHHSA-N 229.236 -0.773 50 20 BBGD COC1(C(=O)Nc2cccc(B(O)O)c2)CC1 584910725 DGAPIAPRURNLMC-UHFFFAOYSA-N 235.048 -0.516 50 20 BBGD O=C(N[C@@H]1CC[C@@H]2C[C@H]21)c1cccc(B(O)O)c1 584986544 ZOAAMVLMBIWGSK-GGZOMVNGSA-N 245.087 -0.105 50 20 BBGD CN1CCO[C@@H](C(=O)NNC(=O)C2CCC2)C1 746248538 UWDRSJXESKEVSY-SECBINFHSA-N 241.291 -0.736 50 20 BBGD O=C(NNC(=O)[C@H]1CCOC1)c1ncccn1 754353128 DYPLCQZEEOUJRK-ZETCQYMHSA-N 236.231 -0.726 50 20 BBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)COC 771888817 GOVYFRXMXMSLRU-LURJTMIESA-N 232.236 -0.878 50 20 BBGD CN1CCN(C(=O)CN2CC=C(C#N)CC2)CC1 779586873 CRJDLHOACYOSMJ-UHFFFAOYSA-N 248.330 -0.084 50 20 BBGD CN(C)CC(=O)NNC(=O)C[C@H]1CCCOC1 795070438 GCCDEGSZEVPOSA-SECBINFHSA-N 243.307 -0.488 50 20 BBGD COC(=O)COCC(=O)NNc1ncccn1 806413688 CNLITUNENMTMST-UHFFFAOYSA-N 240.219 -0.891 50 20 BBGD CC(C)CC(=O)NNC(=O)[C@@H](NC=O)C(C)C 858284162 CEQONRRAFQHXJP-JTQLQIEISA-N 243.307 -0.050 50 20 BBGD Cc1nonc1CNS(=O)(=O)CCl 872657192 GKCWVTMZIZXOHD-UHFFFAOYSA-N 225.657 -0.006 50 20 BBGD C[C@@H](O)CN(C)NC(=O)c1cnn2c1CCC2 910144250 GPSNNKROBPMMOE-MRVPVSSYSA-N 238.291 -0.213 50 20 BBGD CCN1CCC(=NNC(=O)C(=O)OC)[C@@H](C)C1 1116198730 WSUJAMKYMGWHEG-QMMMGPOBSA-N 241.291 -0.007 50 20 BBGD CC(=O)NNC(=O)[C@H]1CCO[C@H](C)C1 1117738338 GGHGMDUHTVAZER-SVRRBLITSA-N 200.238 -0.031 50 20 BBGD C[C@H](CO)N(C)NC(=O)c1ccnc(O)c1 1119046992 CADVLHZSFGNBSI-SSDOTTSWSA-N 225.248 -0.255 50 20 BBGD CC(C)CC(=O)NNC(=O)[C@H](C)N(C)CCO 1324139583 MNUSDDLYHBXVGK-VIFPVBQESA-N 245.323 -0.508 50 20 BBGD N#CC1(C(=O)N2CC[C@H](B(O)O)C2)CCC1 1329656589 LEUQDZYZKHUQPN-QMMMGPOBSA-N 222.053 -0.244 50 20 BBGD O=C(Cc1ncc[nH]1)NNC(=O)C1CC1 1330704015 LFPGWSPBRQCHQZ-UHFFFAOYSA-N 208.221 -0.490 50 20 BBGD CCCNC(=O)NNC(=O)[C@H](C(=O)O)C1CC1 1589676976 SFYJRLZORKJKEG-SSDOTTSWSA-N 243.263 -0.162 50 20 BBGD Cn1nncc1NNC(=O)CSCC(=O)O 1594597706 BEZUQSXHPWXXHL-UHFFFAOYSA-N 245.264 -0.924 50 20 BBGD CC(=O)NNC(=O)CCc1ocnc1C(=O)O 1603052601 NUQSDLJTHHIDMT-UHFFFAOYSA-N 241.203 -0.527 50 20 BBGD CN1C(=O)C(=NNC(=O)C(=O)O)c2ccccc21 1606186433 DPTYSGJAYASEKX-UHFFFAOYSA-N 247.210 -0.432 50 20 BBGD CN(C)CC(=O)NNC(=O)C1CCCC1 170754995 ZLEQPNRPPOJFNL-UHFFFAOYSA-N 213.281 -0.114 50 20 BBGD CC(=O)N1CC(C(=O)NNC(=O)C2CCC2)C1 276537038 MSAHNWRYOCXREU-UHFFFAOYSA-N 239.275 -0.588 50 20 BBGD COC(=O)NNC(=O)Cc1c(C)nn(C)c1C 490595838 BCCULNVFVYOYIT-UHFFFAOYSA-N 240.263 -0.033 50 20 BBGD CCOC(=O)NNS(=O)(=O)c1c[nH]nc1C 491329663 SKXVATKPXWIYFX-UHFFFAOYSA-N 248.264 -0.342 50 20 BBGD C=C[C@](C)(O)CC(=O)Nc1cccc(B(O)O)c1 584914536 ZURGRTIFLGNIRL-LBPRGKRZSA-N 249.075 -0.368 50 20 BBGD CC(F)(F)CNC(=O)c1ccc(B(O)O)cc1 584993518 WLHKQSITRZWZLK-UHFFFAOYSA-N 243.018 -0.249 50 20 BBGD Cc1ccsc1S(=O)(=O)NCB(O)O 585056498 WJCHTOUUHLXIQW-UHFFFAOYSA-N 235.095 -0.653 50 20 BBGD O=C(NCB(O)O)[C@H]1C[C@@H]1C1CCCC1 585063044 RTNMYBAMSRTDFQ-BDAKNGLRSA-N 211.070 -0.059 50 20 BBGD CNC(=O)NNC(=O)Cc1ncc(C)s1 765483618 UJIYFLFXJSNJEG-UHFFFAOYSA-N 228.277 -0.046 50 20 BBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N(C)C 770719928 OKCIQYMQLHOOPR-NKWVEPMBSA-N 215.253 -0.286 50 20 BBGD CC[C@@H](OC)C(=O)NN(CC)CCO 823852973 VQZFQTHUVWUHSG-MRVPVSSYSA-N 204.270 -0.243 50 20 BBGD CC[C@@H](OC)C(=O)NN(C)[C@H](C)CO 823964597 BZHHMUTXDSENCF-HTQZYQBOSA-N 204.270 -0.245 50 20 BBGD CCn1ccnc1C=NNC(=O)NCC(=O)O 833683312 JZRWUEWXWJHJLE-UHFFFAOYSA-N 239.235 -0.379 50 20 BBGD CNC(=S)N(C)NC(=O)C1CC(=O)C1 854923238 NRZZEHPCIHHPSL-UHFFFAOYSA-N 215.278 -0.567 50 20 BBGD C#CCN(C(=O)c1cccc(B(O)O)c1)C1CC1 863883606 HBGIUIXFTGEVMF-UHFFFAOYSA-N 243.071 -0.396 50 20 BBGD C[C@H]1COCC1=NNC(=O)N1CCN(C)CC1 884453394 NWJZOCPYARSPDS-VIFPVBQESA-N 240.307 -0.034 50 20 BBGD Cn1nc(C2CC2)cc1C(=O)NNC(=O)CO 897606828 VONYUEKPMYWROO-UHFFFAOYSA-N 238.247 -0.949 50 20 BBGD CCNC(=O)NNC(=O)CN(C)C1CCC1 900385444 AWNQIQJJHVMQKW-UHFFFAOYSA-N 228.296 -0.179 50 20 BBGD CCc1n[nH]cc1C(=O)NN(C)C[C@@H](C)O 910170285 JDARQOGHEQFTDW-SSDOTTSWSA-N 226.280 -0.071 50 20 BBGD Cc1cc(C(=O)NN(C)C[C@H](C)O)no1 910179521 YDJSFBNXWNCHLK-LURJTMIESA-N 213.237 -0.060 50 20 BBGD CCN(CCO)NC(=O)[C@@H](C)c1cnccn1 911441170 XFWBUNHZWNXVAG-VIFPVBQESA-N 238.291 -0.075 50 20 BBGD CN(NC(=O)CCn1cnnn1)C1CC1 1119586963 LCUXXEZFFXVMMR-UHFFFAOYSA-N 210.241 -0.811 50 20 BBGD CNC(=O)NNC(=O)CCCCCNC(C)=O 1319889147 RYTXYBPSAGPVLK-UHFFFAOYSA-N 244.295 -0.357 50 20 BBGD CN(N)C(=O)c1ccc2c(c1)C(=O)NCCO2 1573882869 RGAWPEXBSNGQQA-UHFFFAOYSA-N 235.243 -0.246 50 20 BBGD Cc1nnc(NNC(=O)CCCC(=O)O)n1C 1594493061 RXPCTGQGNFLLAL-UHFFFAOYSA-N 241.251 -0.178 50 20 BBGD O=C(NNC(=O)C(=O)O)N[C@@H]1CCC[C@H](F)C1 1608477169 GFYKEKYAPRVHEL-NTSWFWBYSA-N 247.226 -0.318 50 20 BBGD O=C(CO)NNC(=O)Cc1c(F)cccc1F 182754078 VDLUJQMBWWFWIT-UHFFFAOYSA-N 244.197 -0.353 50 20 BBGD O=C(CO)NNc1nnc(C2CC2)s1 273624593 OLUSYXHEXADMBQ-UHFFFAOYSA-N 214.250 -0.149 50 20 BBGD COC(=O)NNC(=O)C1(OC)CCC1 274313042 UUVZEVXMDXFAND-UHFFFAOYSA-N 202.210 -0.057 50 20 BBGD CC1(C(=O)NNC(=O)NCC2CC2)COC1 782592974 NXQAKIACQMHTHL-UHFFFAOYSA-N 227.264 -0.237 50 20 BBGD O=C(CO)NNc1nc2ccccn2n1 791258883 JNRLTFFJCLEJQA-UHFFFAOYSA-N 207.193 -0.835 50 20 BBGD NC(=O)C(=O)NN=C[C@H]1CCCSC1 794858233 AHMUNUWWQHHAGK-ZCFIWIBFSA-N 215.278 -0.283 50 20 BBGD CC(C)[C@@H](O)C(=O)NNC(=O)Cc1cc[nH]n1 796210554 TXNOHEBLNATRHF-SECBINFHSA-N 240.263 -0.884 50 20 BBGD CNC(=S)N(C)NC(=O)[C@](C)(O)C1CC1 854920394 BQCMEJPNSNRSDE-SECBINFHSA-N 231.321 -0.385 50 20 BBGD CC1(C(=O)NNC(=O)c2cc[nH]n2)CC1 855357708 PQNOPAVFZFZYAW-UHFFFAOYSA-N 208.221 -0.029 50 20 BBGD COCCCOCCC(=O)NNC(=O)OC 856756451 ADVQNUQQMYABFT-UHFFFAOYSA-N 234.252 -0.183 50 20 BBGD C=CC(C)(C)C(=O)NNC(=O)CS(C)(=O)=O 863465317 BHZHUYDKQAJZPW-UHFFFAOYSA-N 248.304 -0.609 50 20 BBGD CO[C@H]1C[C@H](NC(=O)c2cccc(B(O)O)c2)C1 863891116 WVQQLJJGTOIEQC-XYPYZODXSA-N 249.075 -0.726 50 20 BBGD C[C@@H](O)CN(C)NC(=O)c1cnccc1C#N 910154443 DHPUAUNEYOFYKF-MRVPVSSYSA-N 234.259 -0.089 50 20 BBGD Cn1cc(/C=C/C(=O)N2CC[C@@H](B(O)O)C2)cn1 1118916747 UHRWSSWJLQXNMP-VMZHVLLKSA-N 249.079 -0.491 50 20 BBGD NCCNCC(=O)NNc1ccccc1 1121988012 CANVVFYQYCSTPZ-UHFFFAOYSA-N 208.265 -0.322 50 20 BBGD O=C1C[C@H](C(=O)NNC(=O)C2CC2)CCN1 1319200298 RQSJIMJKKDHZBU-SSDOTTSWSA-N 225.248 -0.930 50 20 BBGD CC(=O)NNC(=O)Cc1ccc(C(N)=O)cc1 1321094416 XZABEAPDPSSGJU-UHFFFAOYSA-N 235.243 -0.505 50 20 BBGD Cc1cc(=O)c(C(=O)NN(C)[C@@H](C)CO)c[nH]1 1332367008 OKHAIVAAZHVJQM-QMMMGPOBSA-N 239.275 -0.359 50 20 BBGD C[C@@H](CO)N(C)NC(=O)c1cc(C(=O)O)on1 1592762712 VSARMGGLGYLBGL-YFKPBYRVSA-N 243.219 -0.670 50 20 BBGD O=C(NCCCCF)NNC(=O)C(=O)O 1601497962 XZFWMPHFXNADHT-UHFFFAOYSA-N 221.188 -0.849 50 20 BBGD CCC(=O)NNC(=S)NCCCC(=O)O 1604858633 MDFWNYYHRCWESE-UHFFFAOYSA-N 233.293 -0.244 50 20 BBGD CC[C@@H](C(=O)O)C(=O)NN(C)C(N)=O 1604878611 TVDGUKQVMPLBCP-SCSAIBSYSA-N 203.198 -0.861 50 20 BBGD Cn1cc(C(=O)NNC(=O)NC2CC2)cn1 49151025 CJMRVUBIVOGDEM-UHFFFAOYSA-N 223.236 -0.474 50 20 BBGD CCO/C=C\C(=O)NNC(=O)c1cnn(C)c1 493817228 HITAWTTVZZMLCU-PLNGDYQASA-N 238.247 -0.269 50 20 BBGD C[C@H](C#N)CN(C)C(=O)c1cccc(B(O)O)c1 584933583 FCVDQCQMOONFJA-SECBINFHSA-N 246.075 -0.402 50 20 BBGD N#CC1(NC(=O)c2ccc(B(O)O)cc2)CCC1 584935440 KKPJRWJMBBPTHF-UHFFFAOYSA-N 244.059 -0.458 50 20 BBGD CC(C)[C@](C)(O)CNCc1ccc(B(O)O)o1 585030202 XVKLCMXVBWNGED-LLVKDONJSA-N 241.096 -0.544 50 20 BBGD C=CCO[C@H](C)CNCc1ccc(B(O)O)o1 585042444 QQCJXLLOCMFTAD-SECBINFHSA-N 239.080 -0.360 50 20 BBGD COc1cc(C)cnc1C(=O)NCB(O)O 585062830 NSRTVBHNMMNNEE-UHFFFAOYSA-N 224.025 -0.860 50 20 BBGD CCC(=O)NNC(=O)[C@@H](C)N(CC)CCOC 732198464 SBYFUUUACSFBML-SECBINFHSA-N 245.323 -0.099 50 20 BBGD C[C@H](C(=O)NNC(=O)CO)C1CCCC1 753445611 QBHKREQCWRTQLF-ZETCQYMHSA-N 214.265 -0.048 50 20 BBGD COc1nccnc1NNC(=O)Cn1cccn1 764460304 MXYSFRIAPDXXEP-UHFFFAOYSA-N 248.246 -0.175 50 20 BBGD CCN(CCO)NC(=O)c1cc(OC)ncn1 823376404 DOWLDRGKSKSVSY-UHFFFAOYSA-N 240.263 -0.556 50 20 BBGD CCCN(C)S(=O)(=O)NNC(=O)O 829464782 PCVNGOQCYXAUCV-UHFFFAOYSA-N 211.243 -0.655 50 20 BBGD C/C=C(\C)C(=O)NNC(=O)c1ncon1 832825713 FFAVDRQPUDJTHE-HWKANZROSA-N 210.193 -0.203 50 20 BBGD CC(=O)NNC(=O)[C@]12CCC(=O)N1CCS2 849133472 XMWCQMKGGDXFQJ-SECBINFHSA-N 243.288 -0.781 50 20 BBGD CON=CC(=O)NNC(=S)N[C@@H](C)C1CC1 855097248 MKHMBXXJOAKXLU-LURJTMIESA-N 244.320 -0.088 50 20 BBGD O=C(c1cc(B(O)O)ccc1F)N1C[C@H]2C[C@@H]2C1 863887395 HODLJHZHOFXQKG-HTQZYQBOSA-N 249.050 -0.403 50 20 BBGD CO[C@H]1C[C@H](NCc2ccc(B(O)O)cc2)C1 863891888 GINYGXOJJOTIJO-HAQNSBGRSA-N 235.092 -0.367 50 20 BBGD C=CC(=O)N(CC)CC(=O)NNC(=O)NCC 900386228 NPSJLVWEKDZEIT-UHFFFAOYSA-N 242.279 -0.629 50 20 BBGD C[C@H](O)CN(C)NC(=O)[C@@H](O)C(C)(C)C 910156213 QYOQSJVJSHNRQQ-JGVFFNPUSA-N 218.297 -0.263 50 20 BBGD CN1CCC(C(=O)NNC(=O)N(C)C)CC1 1119525152 NSSOVDUTAOEPDH-UHFFFAOYSA-N 228.296 -0.369 50 20 BBGD CC[C@H](C#N)C(=O)NNC(=O)Cc1cc[nH]n1 1261510129 OVBIXOFDVUDRLN-SSDOTTSWSA-N 235.247 -0.351 50 20 BBGD Cc1nn(C)c(C)c1C=NNC(=O)CCO 1318991829 FACBJLLYDPIUFO-UHFFFAOYSA-N 224.264 -0.131 50 20 BBGD CS(=O)(=O)CCC(=O)NNc1ccncn1 1330848987 HAWUXZCTXGBBCI-UHFFFAOYSA-N 244.276 -0.646 50 20 BBGD Cn1nncc1NNC(=O)[C@H]1C[C@@]12CCOC2 1331130750 HJVQOADSJWBGHI-GMSGAONNSA-N 237.263 -0.315 50 20 BBGD CCc1ncc(C=NNC(=O)C(N)=O)s1 1331474885 HITJTTRQHYCIQO-UHFFFAOYSA-N 226.261 -0.359 50 20 BBGD CCNC(=O)NNC(=O)c1n[nH]cc1C 1346423821 BXWJMLVXAVSMMC-UHFFFAOYSA-N 211.225 -0.318 50 20 BBGD Cc1cc(C(=O)N2CC[C@@H](B(O)O)C2)ncn1 1348490311 PHRVBBGGNFXEOA-MRVPVSSYSA-N 235.052 -0.526 50 20 BBGD O=C(NN=Cc1cnc2n1CCC2)c1ncon1 1352725527 LGGPZVLATBMXRZ-UHFFFAOYSA-N 246.230 -0.024 50 20 BBGD C=CCNC(=S)NNC(=O)c1ncccn1 3124215 AOZKJTYXXZGDJT-UHFFFAOYSA-N 237.288 -0.229 50 20 BBGD C#CCOCCC(=O)NNc1cnccn1 131770419 XSLAUZHECDKSFT-UHFFFAOYSA-N 220.232 -0.040 50 20 BBGD CN(C)CC(=O)NNC(=O)c1cccn1C 171354298 PXQNMULLGBZCOL-UHFFFAOYSA-N 224.264 -0.652 50 20 BBGD CO/N=C/C(=O)NNc1nc(C)cc(OC)n1 289975734 ZNUYBYUZSVHQQL-BJMVGYQFSA-N 239.235 -0.131 50 20 BBGD O=C(CCl)N1C[C@@H](O)[C@H](n2ccnc2)C1 409428629 GUFLHORJLYIUDL-HTQZYQBOSA-N 229.667 -0.134 50 20 BBGD CCO/C=C(/C#N)C(=O)N1CCN(C)C(=O)C1 491102943 JUZWHKNBKAWMLL-HJWRWDBZSA-N 237.259 -0.269 50 20 BBGD C#CCn1ccnc1C=NN(C)C(N)=O 491751953 YOHXLUVFXCPIFK-UHFFFAOYSA-N 205.221 -0.139 50 20 BBGD COCCN(C)NC(=O)[C@H]1NC(=O)O[C@@H]1C 495933885 KKLRIJUILKSFLM-RQJHMYQMSA-N 231.252 -0.907 50 20 BBGD C[C@H](CNCc1ccc(B(O)O)cc1)N(C)C 585032236 DEJYJWUNGBJIGA-SNVBAGLBSA-N 236.124 -0.594 50 20 BBGD C[C@@H](C#N)CNCc1cccc(B(O)O)c1 585034311 HQNQDHUWDMVOJY-VIFPVBQESA-N 218.065 -0.384 50 20 BBGD CO[C@H](C)[C@@H](C)NCc1ccc(B(O)O)o1 585041848 WIFKFKMSRCARGQ-HTQZYQBOSA-N 227.069 -0.528 50 20 BBGD N#Cc1ccc(OCC(=O)NCB(O)O)cc1 585061589 WFDIXRCOMSRWJQ-UHFFFAOYSA-N 234.020 -0.935 50 20 BBGD COCCOCCC(=O)NNC(=O)C1CCC1 732141009 DOHMMRWOLAGRRP-UHFFFAOYSA-N 244.291 -0.013 50 20 BBGD COCC(=O)NNc1ccnc(N(C)C)n1 740104449 LMDFJNBYMMZXHQ-UHFFFAOYSA-N 225.252 -0.368 50 20 BBGD COCC(=O)NN[C@H](C(N)=O)c1ccccc1 761835841 LDNIWHTTYNRHLF-JTQLQIEISA-N 237.259 -0.520 50 20 BBGD CC(=O)NNC(=O)c1ccn(CC(F)F)n1 789867786 XPLJJVJFVSJVHC-UHFFFAOYSA-N 232.190 -0.071 50 20 BBGD Cc1nc2c(C(=O)NNC(=O)CO)cccc2o1 792658152 IJXMPZFFOXWCBI-UHFFFAOYSA-N 249.226 -0.110 50 20 BBGD CCNC(=O)N(C)NC(=O)[C@@H](O)C(C)C 813511363 JQWIXWJJKRVZGA-ZETCQYMHSA-N 217.269 -0.304 50 20 BBGD CN(NC(=O)Cc1nc2ncccn2n1)C1CC1 819646549 AFNHHKRGIUWMPM-UHFFFAOYSA-N 246.274 -0.208 50 20 BBGD CCN(CCO)NC(=O)[C@@H](C)c1cnn(C)c1 823865317 NCVVSVSBPYJHQB-VIFPVBQESA-N 240.307 -0.131 50 20 BBGD CCNC(=O)N(C)NC(=O)[C@H](C)[C@@H](C)N 831945433 QHIWZCKQQXIJLN-RNFRBKRXSA-N 216.285 -0.338 50 20 BBGD CN(NC(=O)c1nc2ncccn2n1)C1CC1 854983495 ITUDLIQOWIMTDH-UHFFFAOYSA-N 232.247 -0.137 50 20 BBGD CO[C@@H](C(=O)NNC(=O)c1cn[nH]c1)C1CC1 862469677 AIHLILJZQOEZHY-MRVPVSSYSA-N 238.247 -0.404 50 20 BBGD O=C(NNC(=O)[C@H]1C[C@@H]1F)c1cccnn1 1263856578 WFPUJMMAGUARDC-WDSKDSINSA-N 224.195 -0.404 50 20 BBGD O=C(Cn1ccsc1=O)NNC(=O)C1CC1 1319439488 QMNHHWHRYRWVDC-UHFFFAOYSA-N 241.272 -0.533 50 20 BBGD CNS(=O)(=O)[C@@H]1CCN(C(=O)CCl)C1 1327857915 PPDRWNJHMZUTIS-ZCFIWIBFSA-N 240.712 -0.625 50 20 BBGD CC(C)NC(=O)C(=O)NNC(=O)c1ccco1 48375716 AKNGQWKEIQJEFO-UHFFFAOYSA-N 239.231 -0.435 50 20 BBGD CCCNC(=O)NNC(=O)c1cnccn1 49298415 UIUXYMPAROCCSW-UHFFFAOYSA-N 223.236 -0.169 50 20 BBGD O=C(Cn1cnnn1)NNc1ccc(F)cc1 66281965 OSSZQXTXULLPRQ-UHFFFAOYSA-N 236.210 -0.045 50 20 BBGD CNC(=O)NNC(=O)CN1CCC(C)CC1 134865171 MRHHLAQSVZNKEM-UHFFFAOYSA-N 228.296 -0.322 50 20 BBGD COC(=O)NNC(=O)[C@@H]1CC[C@@H]1C(=O)OC 289059948 LXHAXIJVXCHDFI-RITPCOANSA-N 230.220 -0.427 50 20 BBGD C[C@@]1(CNCc2ccc(B(O)O)o2)CCOC1 585022880 BXWLASGBCNCCTP-NSHDSACASA-N 239.080 -0.524 50 20 BBGD OB(O)c1ccc(CN[C@@H]2CCCSC2)o1 585042315 ADYRTQXZDHITNJ-MRVPVSSYSA-N 241.121 -0.055 50 20 BBGD C[C@@H]1C[C@H](NCc2ccc(B(O)O)cc2)CO1 585048208 KZOZINVOIFUPSP-SKDRFNHKSA-N 235.092 -0.367 50 20 BBGD O=C(NCB(O)O)c1ccc(F)c(F)c1F 585060847 KWLMOZNDXGTAKK-UHFFFAOYSA-N 232.954 -0.154 50 20 BBGD CCn1cc(C=NNC(=O)COC)cn1 761822034 UBKIXFFDSJXRKT-UHFFFAOYSA-N 210.237 -0.001 50 20 BBGD CN(NC(=O)c1ccc2c(c1)nnn2C)C(N)=O 770438076 IWTORDUFTOLLBY-UHFFFAOYSA-N 248.246 -0.376 50 20 BBGD CC[C@H](CO)C(=O)NNC(=O)NC1CC1 779748462 FVSPOVINLYTPMI-ZCFIWIBFSA-N 215.253 -0.502 50 20 BBGD C=CCNC(=S)NNC(=O)[C@H](C)C#N 798305063 HTNOMSMEZNJNAT-ZCFIWIBFSA-N 212.278 -0.173 50 20 BBGD C[C@@H]1C[C@@H](C)[C@@H](C(=O)NNC(=O)C(C)(C)O)O1 800546154 AYMOKMJOGFDONE-PRJMDXOYSA-N 244.291 -0.282 50 20 BBGD C[C@@H](CO)N(C)NC(=O)[C@@H](O)c1cccnc1 823923935 VOGOWLMGQKPPKP-WPRPVWTQSA-N 239.275 -0.541 50 20 BBGD C[C@H](CO)N(C)NC(=O)c1cnn(CCF)c1 823923936 VQVGJPMPSRNEEI-MRVPVSSYSA-N 244.270 -0.190 50 20 BBGD CC(C)[C@](C)(O)C(=O)NN(C)[C@H](C)CO 823934364 FXGLDFLIGQVQDZ-SCZZXKLOSA-N 218.297 -0.263 50 20 BBGD CCO/C=C(\C#N)C(=O)N1CC=C(N)N1 829836999 WBKBJDJMHDFTCI-VOTSOKGWSA-N 208.221 -0.423 50 20 BBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1cc[nH]n1 843648502 XSDUBACVXAYLTN-RNFRBKRXSA-N 238.247 -0.404 50 20 BBGD CC/C=C(/C)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862451435 CIAWXRBGQGOTAN-NZGHECTNSA-N 239.275 -0.231 50 20 BBGD Cc1cc(=NNC(=O)CN2CCCC2=O)cc[nH]1 862509862 WEFTXQPAMCLYJL-UHFFFAOYSA-N 248.286 -0.123 50 20 BBGD OB(O)c1ccc(OCCC2OCCO2)cc1 863866777 YSCPTTADNKTVPQ-UHFFFAOYSA-N 238.048 -0.492 50 20 BBGD COC[C@H](CNC(=O)NN(C)C(=O)OC)OC 875474547 BGGKCDABKGIXHH-ZETCQYMHSA-N 249.267 -0.440 50 20 BBGD C=CCCOCC(=O)NN(C)C[C@@H](C)O 910167557 HUZREURBDMSHBD-SECBINFHSA-N 216.281 -0.077 50 20 BBGD C[C@H](C(=O)NNC(=O)C(C)(C)O)n1ccnc1 1320808352 PCLUMBIBFZIPSL-SSDOTTSWSA-N 240.263 -0.638 50 20 BBGD C[C@@H](NNC(=O)C1(C(N)=O)CC1)C(F)(F)F 1329645282 ULLJHJYUYYBHGG-SCSAIBSYSA-N 239.197 -0.177 50 20 BBGD CC(=O)NNC(=O)c1cnn2c1NC[C@@H](C)C2 1520729860 ZUHWWCJHBOZSEJ-ZCFIWIBFSA-N 237.263 -0.274 50 20 BBGD O=C(CO)NNC(=O)C[C@H]1CNc2ccccc21 1580558362 VTWJWTCXHCTCMD-QMMMGPOBSA-N 249.270 -0.275 50 20 BBGD C[C@@H](O)CN(C)NC(=O)[C@H]1C[C@H]1C(=O)O 1604387255 SUMNEHTVNSGFTC-DSYKOEDSSA-N 216.237 -0.949 50 20 BBGD O=C(O)CCCC(=O)NNC(=O)C1CC1 16479321 NTFYYLHWPBDWDR-UHFFFAOYSA-N 214.221 -0.201 50 20 BBGD CC[C@@H](N)C(=O)NNc1nc(C)cc(OC)n1 129906786 KJQGFTZHBDZFGR-SSDOTTSWSA-N 239.279 -0.026 50 20 BBGD CCN(CC)C(=O)CNS(=O)(=O)CCl 161685047 WNBWQQVCZRSVBO-UHFFFAOYSA-N 242.728 -0.030 50 20 BBGD O=C(CO)NNC(=O)c1ccc2cc[nH]c2c1 182761141 CHIZWBCJKFGAOZ-UHFFFAOYSA-N 233.227 -0.079 50 20 BBGD CCCn1cc(NC(=O)NNC(=O)CO)cn1 186219745 ZWTRPUHFLBXGKR-UHFFFAOYSA-N 241.251 -0.562 50 20 BBGD CC#CC(=O)NNC(=O)[C@@H]1CC[C@H](C)O1 293910395 MGANGSVWQONIGN-YUMQZZPRSA-N 210.233 -0.275 50 20 BBGD OB(O)c1cccc(CN[C@H]2CCSC2)c1 585038532 HKILKDDXDNXWFS-NSHDSACASA-N 237.133 -0.039 50 20 BBGD O=C(NNC(=S)NC[C@H]1CCOC1)C1CC1 749650134 ZQPWDGFZIDVJKF-SSDOTTSWSA-N 243.332 -0.072 50 20 BBGD CN1C(=O)CC[C@H]1C(=O)NNc1cnccn1 753433767 LBFPJYUYUQQEMK-ZETCQYMHSA-N 235.247 -0.460 50 20 BBGD O=C(CO)NNC(=O)C(=O)c1ccccc1 792657421 COXNKRQXIWHWFM-UHFFFAOYSA-N 222.200 -0.991 50 20 BBGD CCO/C=C(/C#N)C(=O)N[C@H](CO)COC 794142792 JTIDXRZDWBXDIW-JGAIRUGNSA-N 228.248 -0.446 50 20 BBGD C[C@@H]1OCC[C@H]1C(=O)NNC1=NCC(O)=C1 842557545 VZBMSVOSQVCCCN-POYBYMJQSA-N 225.248 -0.114 50 20 BBGD CCOCC(C)=NNC(=O)[C@H]1CCC(=O)N1 863146273 VIASJAXUMONKPI-MRVPVSSYSA-N 227.264 -0.206 50 20 BBGD CC(CCN(C)C)=NNC(=O)[C@H]1CCC(=O)N1 863153413 UANCXHMTUICSFK-SECBINFHSA-N 240.307 -0.291 50 20 BBGD COC[C@H](C)NC(=O)c1ccc(B(O)O)cc1 863880536 CKKQMLCAQUSBOV-QMMMGPOBSA-N 237.064 -0.869 50 20 BBGD CO[C@H](C)CC(=O)NNC(=O)c1cccnn1 882058732 KHDVATDGZBJCJU-SSDOTTSWSA-N 238.247 -0.337 50 20 BBGD C[C@H](O)CN(C)NC(=O)CCN1CCOCC1 910166401 WKIDNFHRXLUMQX-JTQLQIEISA-N 245.323 -0.948 50 20 BBGD Cc1ocnc1C(=O)NN(C)C[C@H](C)O 910167522 HCOHFHVDTLSPPV-LURJTMIESA-N 213.237 -0.060 50 20 BBGD C[C@@H](O)CN(C)NC(=O)Cc1cnc[nH]1 910184758 VIULOJUJGDRZTG-SSDOTTSWSA-N 212.253 -0.704 50 20 BBGD COCC#CC(=O)NNC(=O)CC1CC1 1118708529 SVGWMNDDYVUOJG-UHFFFAOYSA-N 210.233 -0.416 50 20 BBGD C[C@@H](C#N)C(=O)NNC(=O)c1cnn(C)c1 1318856790 SDAGANQNMONJQU-LURJTMIESA-N 221.220 -0.659 50 20 BBGD CN1N=C(C(=O)NNc2cccnn2)CCC1=O 1320054873 XEELGTKWBOUPEC-UHFFFAOYSA-N 248.246 -0.472 50 20 BBGD O=C(NNC(=O)c1cccnn1)C1=CCOCC1 1331977066 WHJSRLACRSORNZ-UHFFFAOYSA-N 248.242 -0.416 50 20 BBGD CCN(CCO)NC(=O)C[C@H]1CC[C@@H](N)C1 1577725597 FNKBLYWNNGGXBJ-VHSXEESVSA-N 229.324 -0.151 50 20 BBGD C[C@@H](O)CN(C)NC(=O)[C@@H](C)C(=O)O 1589151764 BNKAQSCIXQOONB-PHDIDXHHSA-N 204.226 -0.949 50 20 BBGD CC(=O)N[C@@H](C)C(=O)NNC(=O)C(C)(C)C 77219185 GZAKCEWRAWUBEO-LURJTMIESA-N 229.280 -0.296 50 20 BBGD O=C(NNC(=O)[C@@H]1CCCO1)c1ccc[nH]1 122308375 VYRXJJFMNKXIJX-QMMMGPOBSA-N 223.232 -0.045 50 20 BBGD CCOCCCC(=O)NNC(=O)NC 299151729 YEMOOYPDGDPXMT-UHFFFAOYSA-N 203.242 -0.237 50 20 BBGD O=C(CCl)NCCN1CCC(O)CC1 321198171 UHABNOKCDDCYNU-UHFFFAOYSA-N 220.700 -0.202 50 20 BBGD CC[C@@H](C)[C@H](O)CNCc1ccc(B(O)O)o1 585023625 KFQGMLASROQIDE-PSASIEDQSA-N 241.096 -0.544 50 20 BBGD O=C(NCB(O)O)c1ccnc2ccccc12 585060405 QMPSNDWJWLREKR-UHFFFAOYSA-N 230.032 -0.023 50 20 BBGD C[C@@H](C(=O)NNC(=O)C1CCC1)n1cncn1 732141889 OCXJFELKANMDAZ-ZETCQYMHSA-N 237.263 -0.213 50 20 BBGD CC[C@H]1CC[C@@H](C(=O)NNC(=O)CO)O1 753445035 DKEPVRQPSBZUKZ-BQBZGAKWSA-N 216.237 -0.916 50 20 BBGD Cc1cc(NNC(=O)[C@H]2CCNC(=O)C2)ncn1 754469075 YDBYFZNETVBSJJ-QMMMGPOBSA-N 249.274 -0.246 50 20 BBGD Cn1ncc(C(=O)NNC(=O)C(C)(C)C)c1N 757848723 XBTHGHBASMCQMX-UHFFFAOYSA-N 239.279 -0.191 50 20 BBGD CN(C)c1ncc(C=NNC(=O)CO)s1 776783051 MOBAFQHVRGEBCR-UHFFFAOYSA-N 228.277 -0.349 50 20 BBGD O=C(NNC(=O)C1CC1)c1cn(C2CC2)nn1 858121796 LYHKIDQXURSVLV-UHFFFAOYSA-N 235.247 -0.216 50 20 BBGD C=C[C@H](CC)CC(=O)NNC(=O)CO 897606406 PAUBRPLYLFCCOW-SSDOTTSWSA-N 200.238 -0.272 50 20 BBGD C[C@@H](O)CN(C)NC(=O)c1ccn(C)n1 910166319 VFMGPXPFEICOSK-SSDOTTSWSA-N 212.253 -0.623 50 20 BBGD CC[C@H](F)C(=O)NNC(=O)c1cccnn1 1120686909 DAPHIRGLYLUKPK-LURJTMIESA-N 226.211 -0.014 50 20 BBGD N#CC1(C(=O)NNC(=O)C2CC2)CCOCC1 1318372546 IMCOUKBZFHVEOY-UHFFFAOYSA-N 237.259 -0.136 50 20 BBGD CN1CCN(C(=O)NNC(=O)[C@@H]2C[C@@H]2F)CC1 1521559182 LEUNXOYFGGBPNO-SFYZADRCSA-N 244.270 -0.667 50 20 BBGD CN(N)C(=O)CCN/C(O)=C1/N=CC=CC1=O 1573877095 CMJSAEMEBMBFIZ-KTKRTIGZSA-N 238.247 -0.765 50 20 BBGD N#C/C=C\Cn1c(O)ncc(-c2nn[nH]n2)c1=O 1592671665 MHOQRQGSNHWIFS-UPHRSURJSA-N 245.202 -0.791 50 20 BBGD CN(C)C(=O)NNC(=O)C(C)(C)C(=O)O 1593687795 YUQLDGPAPFCBGR-UHFFFAOYSA-N 217.225 -0.600 50 20 BBGD O=C(O)[C@H]1CCN(S(=O)(=O)CCl)C1 1610745023 OQENVPVSAMKSGL-YFKPBYRVSA-N 227.669 -0.081 50 20 BBGD CNC(=O)/C(C#N)=C\c1c(C(=O)O)cnn1C 1776126015 ZNJPUQLHXXBXFS-UTCJRWHESA-N 234.215 -0.229 50 20 BBGD CC(=O)NNC(=O)c1ccccc1-n1cnnn1 301604293 FZFOFWODELCBJV-UHFFFAOYSA-N 246.230 -0.557 50 20 BBGD CN1CC[C@@H](C(=O)Nc2cccc(B(O)O)c2)C1 404959048 JLBUWLMMRMPKRA-SECBINFHSA-N 248.091 -0.743 50 20 BBGD CC(C)C(=O)NNC(=O)CCN1CCOC1=O 490787017 IXZGMNDEPKPCHT-UHFFFAOYSA-N 243.263 -0.368 50 20 BBGD COCCOCCC(=O)NNC(=O)OC 495325912 CNZJGQVZQLYKSQ-UHFFFAOYSA-N 220.225 -0.573 50 20 BBGD C[C@H]1C[C@H]1CNC(=O)c1ccc(B(O)O)cc1 584930222 UJJTUDIBNUASBQ-WPRPVWTQSA-N 233.076 -0.248 50 20 BBGD OC[C@@H]1CCC[C@@H]1NCc1cccc(B(O)O)c1 585044274 DIILCQIBOBMULA-AAEUAGOBSA-N 249.119 -0.383 50 20 BBGD O=C(O)[C@H](C(=O)NCB(O)O)C1CCCC1 585063276 VZHQRQYRRXZABI-ZETCQYMHSA-N 229.041 -0.994 50 20 BBGD CC(=O)NNC(=O)C1(C(=O)NC2CC2)CCC1 729509843 JFXQJYFJCQUQDS-UHFFFAOYSA-N 239.275 -0.397 50 20 BBGD CC(C)NC(=O)NNC(=O)CSCC(=O)O 738858626 ZMVQDVJHHKRDBZ-UHFFFAOYSA-N 249.292 -0.457 50 20 BBGD CCCOCC(=O)NNC(=O)Cc1cc[nH]n1 755268285 GUGOMRMWELQPGD-UHFFFAOYSA-N 240.263 -0.474 50 20 BBGD COc1cnc(C(=O)NNC(=O)C2CC2)nc1 814714326 BCYAPAUWMQACNC-UHFFFAOYSA-N 236.231 -0.344 50 20 BBGD CN1CC[C@H](C(=O)NNC(=O)CC2CC2)C1=O 819136504 ZBVMFQLVONLQRG-MRVPVSSYSA-N 239.275 -0.588 50 20 BBGD CC(C)(C)C(=O)NNC(=O)C[C@H]1CCC(=O)N1 822243956 GKZQQJOMIXAFFJ-SSDOTTSWSA-N 241.291 -0.151 50 20 BBGD COC(=O)C[C@H](C)C(=O)NN(C)[C@@H](C)CO 823945956 AYIWYUNWAFTMDL-YUMQZZPRSA-N 232.280 -0.471 50 20 BBGD CC[C@]1(C(=O)NNC(=O)C(C)C)CCNC1=O 864490976 NEYGXGFAKXDBDF-NSHDSACASA-N 241.291 -0.294 50 20 BBGD CC[C@H](C(=O)NNC(=O)C(N)=O)c1ccccc1 917358661 HUJNQZDMJDKRDL-VIFPVBQESA-N 249.270 -0.187 50 20 BBGD CCNC(=O)NNC(=O)[C@H](C)OCCOCC 920858154 ZXAFCNVCSHZIQJ-QMMMGPOBSA-N 247.295 -0.222 50 20 BBGD NC(=O)C(=O)NN=Cc1cccc(O)c1 1084274810 ATDCKZRPBNFGHV-UHFFFAOYSA-N 207.189 -0.672 50 20 BBGD O=C(NNC(=O)c1cn[nH]c1)NC1CC1 1115898669 GRSFOAYXOIZYAZ-UHFFFAOYSA-N 209.209 -0.484 50 20 BBGD COC(=O)C(=O)NN=C1CCN(OC)CC1 1117782105 ABKJJBBCPSQORW-UHFFFAOYSA-N 229.236 -0.711 50 20 BBGD Cc1cnn(C)c1C=NNC(=O)[C@H]1CCC(=O)N1 1118889462 JUQRXOCPKNRMAW-MRVPVSSYSA-N 249.274 -0.543 50 20 BBGD O=C([C@@H]1CCCO1)N1CC[C@H](B(O)O)C1 1118916149 LFEIIJZKMJEIEW-YUMQZZPRSA-N 213.042 -0.759 50 20 BBGD O=C(CCc1ncccn1)NNC(=O)NC1CC1 1324038049 YOCZWGVAIWALSI-UHFFFAOYSA-N 249.274 -0.098 50 20 BBGD C[C@H](C(=O)NN(C)[C@@H](C)CO)[C@H]1CCC(=O)N1 1332366217 LCUFXBLBDJKKSK-XHNCKOQMSA-N 243.307 -0.755 50 20 BBGD COC/C=C\C(=O)NNC(=O)C1CCOCC1 1332796706 FZRJBTPOCJCARE-IHWYPQMZSA-N 242.275 -0.237 50 20 BBGD NNC(=O)c1ccnc(-n2cncn2)c1 1345751693 PESNNDLLTWUULS-UHFFFAOYSA-N 204.193 -0.734 50 20 BBGD CO[C@H](CNC(=O)NNC(=O)C(=O)O)C(C)C 1606675591 HKLKBOPMJNIDEM-ZCFIWIBFSA-N 247.251 -0.928 50 20 BBGD O=C(CCn1cncn1)NNC(=O)NC1CC1 49150763 XDFCIOHUSHYGCQ-UHFFFAOYSA-N 238.251 -0.839 50 20 BBGD C[C@H]1C[C@H]1C(=O)NNc1ccc(C(N)=O)nn1 154407727 MOFKOMVDPIKZNN-NTSWFWBYSA-N 235.247 -0.325 50 20 BBGD CNC(=O)NNC(=O)[C@H]1C[C@H]2CC[C@H]1O2 733776453 RXMQLHJEOGOCOW-DSYKOEDSSA-N 213.237 -0.486 50 20 BBGD CCC1(C(=O)NNC(=O)C(=O)NC2CC2)CC1 749334901 GRJMTKOCKIXSJW-UHFFFAOYSA-N 239.275 -0.397 50 20 BBGD O=C(CCn1ccnc1)NNC(=O)NC1CC1 751371324 ZOMFXYVVWFZTAI-UHFFFAOYSA-N 237.263 -0.234 50 20 BBGD CCCNC(=O)NNC(=O)[C@@H]1CCC(=O)N1C 751579940 QNVBYAPJQGYLJB-ZETCQYMHSA-N 242.279 -0.652 50 20 BBGD CCNC(=O)NNC(=O)[C@](C)(O)C(C)C 771273267 PXPLAFYQLMIYRW-SECBINFHSA-N 217.269 -0.256 50 20 BBGD CC(C)(C)n1cc(C=NNC(=O)CO)nn1 790170336 LAWYMXXVTLQGGA-UHFFFAOYSA-N 225.252 -0.525 50 20 BBGD CCNC(=O)N(C)NC(=O)CC1OCCO1 793785529 LMYHOYYGDNSKCT-UHFFFAOYSA-N 231.252 -0.558 50 20 BBGD CCN(CCO)NC(=O)COCC(F)(F)F 823847663 ZGGHXZVAGYBWKM-UHFFFAOYSA-N 244.213 -0.089 50 20 BBGD C[C@@H](CO)N(C)NC(=O)c1ccc(=O)n(C)c1 823970788 LHXJPXBMBYWXGG-QMMMGPOBSA-N 239.275 -0.657 50 20 BBGD CC(C)OCCS(=O)(=O)NNC(=O)O 827033642 NIAQSIIQGWZLDX-UHFFFAOYSA-N 226.254 -0.487 50 20 BBGD COC/C=C/C(=O)NNC(=O)NCCCOC 865016740 RPVMGWHBAIJGKK-HWKANZROSA-N 245.279 -0.444 50 20 BBGD CN1C(=O)CCC[C@@H]1C(=O)NNc1cnccn1 907477324 OEZZFYSEAOYYRO-MRVPVSSYSA-N 249.274 -0.069 50 20 BBGD CC(=NNC(=O)C(N)=O)c1cccc(O)c1 916273767 ATYRKPLVRVBFCW-UHFFFAOYSA-N 221.216 -0.282 50 20 BBGD C=CCNC(=S)NNC(=O)[C@@](C)(O)CC 929242577 MSFUYTMBTQBDQY-VIFPVBQESA-N 231.321 -0.171 50 20 BBGD CC(C)NC(=O)NNC(=O)[C@H]1CCNC(=O)C1 1322557498 QFPMJCXSTAYITF-ZETCQYMHSA-N 242.279 -0.749 50 20 BBGD CC[C@@H]1COCC1=NNC(=O)C(=O)OC 1328011320 YKZSUHFNZOCXBU-ZCFIWIBFSA-N 214.221 -0.312 50 20 BBGD CCn1ccnc1C(=O)NN(C)C(N)=O 1330138473 WRFWTGGSUZSUJC-UHFFFAOYSA-N 211.225 -0.442 50 20 BBGD CN1CC[C@@H]1CNC(=O)NNc1ccncn1 1342338676 VRQQAONJWNKSQA-MRVPVSSYSA-N 236.279 -0.193 50 20 BBGD CC#CC[C@@H](N)C(=O)NNC(=O)c1ccccn1 1574972591 NQVREJAILFUQGJ-SECBINFHSA-N 246.270 -0.417 50 20 BBGD CNCCCC(=O)NNC(=O)c1cccnn1 1578681170 ZPCJGGQYLALCAW-UHFFFAOYSA-N 237.263 -0.763 50 20 BBGD Cc1c(Cl)c(C(=O)NNC(=O)CN)nn1C 1579534940 YPAOKGHEOASPKY-UHFFFAOYSA-N 245.670 -0.898 50 20 BBGD CC(=O)NNC(=O)[C@@H](C(=O)O)C1CC1 1588514772 ZLLPXLDCDMYWCV-LURJTMIESA-N 200.194 -0.736 50 20 BBGD CO[C@H](C(=O)O)C(=O)NNC(=O)C1CCCC1 1604435605 XLUJBTLWHPYSIE-ZETCQYMHSA-N 244.247 -0.576 50 20 BBGD Cc1nnc(NNC(=O)[C@@H](C)C(=O)O)nc1O 1605444736 SPLKLDNRXLLCHN-GSVOUGTGSA-N 241.207 -0.951 50 20 BBGD O=C(O)[C@H]1C[C@@H](O)CN1S(=O)(=O)CCl 1608823771 PHJBVYIJPMQHNP-RFZPGFLSSA-N 243.668 -0.968 50 20 BBGD O=C(O)c1cc(C(=O)NNC(=O)C2CC2)on1 1610810023 IYYXEBAEZIJCTA-UHFFFAOYSA-N 239.187 -0.456 50 20 BBGD C[C@@H](O)CN(C)S(=O)(=O)CCl 82513255 YBJYDHLSGSCAJE-RXMQYKEDSA-N 201.675 -0.175 50 20 BBGD CCO[C@H]1C[C@@](N)(C(=O)NN)C1(C)C 162532767 ZCCIHRLVBWRQIW-IMTBSYHQSA-N 201.270 -0.491 50 20 BBGD Cc1cc(B(O)O)ccc1O[C@@H]1CCOC1 169921134 AHQYPSCKYUMCSC-SNVBAGLBSA-N 222.049 -0.157 50 20 BBGD in-vitro CC(=NNC(=O)C(N)=O)c1ccc(O)cc1O 254840664 FFNDIGNUTOLLPP-UHFFFAOYSA-N 237.215 -0.577 50 20 BBGD CC1(C)C[C@H]1NC(=O)c1cccc(B(O)O)c1 584932972 CNENOYBLFCEYRQ-SNVBAGLBSA-N 233.076 -0.105 50 20 BBGD O=S(=O)(NCB(O)O)c1cccc(Cl)c1 585054835 RYXYBHXXVOLVOL-UHFFFAOYSA-N 249.484 -0.370 50 20 BBGD C/C(=C/c1ccccn1)C(=O)NCB(O)O 585062337 GWTXHGBGAGXCJA-VURMDHGXSA-N 220.037 -0.387 50 20 BBGD O=C(NCB(O)O)[C@@H]1CCc2cc(F)ccc21 585062902 PHHONJVBPPREOH-SNVBAGLBSA-N 237.039 -0.016 50 20 BBGD C[C@H]1C[C@@H](C)O[C@H]1C(=O)N1CC[C@H](B(O)O)C1 585064754 SUKAIHHKRTXZHP-QCLAVDOMSA-N 241.096 -0.125 50 20 BBGD CS[C@@H](C)C(=O)NNC(=O)Cc1cc[nH]n1 730093117 YYZJBXIRAZQHQM-LURJTMIESA-N 242.304 -0.149 50 20 BBGD CC1(C)CC(=NNC(=O)C(N)=O)C(C)(C)O1 755871822 LTFLPFPCRKPXLR-UHFFFAOYSA-N 227.264 -0.079 50 20 BBGD CC[C@@H]1CC(=NNC(=O)C(N)=O)CCO1 756821860 ZHZSZIFMYOOHNZ-SSDOTTSWSA-N 213.237 -0.467 50 20 BBGD CCNC(=O)N(C)NC(=O)[C@@H]1CCNC(=O)C1 780711942 MFYRDJXQEBVJES-SSDOTTSWSA-N 242.279 -0.795 50 20 BBGD CC(CC1(C(=O)O)CCC1)=NNC(=O)C(N)=O 814696292 COOAQOXLAQQNDX-UHFFFAOYSA-N 241.247 -0.391 50 20 BBGD Cc1ncoc1C(=O)NN(C)C[C@H](C)O 821216936 BCWGCEZBMFGRAB-LURJTMIESA-N 213.237 -0.060 50 20 BBGD CCOC(=O)[C@@H](CC)C(=O)NN(C)[C@@H](C)CO 823917846 OSFNVNDDWPUMMI-IUCAKERBSA-N 246.307 -0.081 50 20 BBGD CCNC(=O)N(C)NC(=O)[C@H](O)C1CC1 831853975 MJWHYYUJFBRQRK-SSDOTTSWSA-N 215.253 -0.550 50 20 BBGD Cc1cccnc1NNC(=O)[C@H]1CCNC1=O 834348535 NRQARJWYXKPFBK-QMMMGPOBSA-N 234.259 -0.031 50 20 BBGD O=C(NOCCC1CC1)c1cccc(B(O)O)c1 863883463 AYUQLQKZMINCCU-UHFFFAOYSA-N 249.075 -0.172 50 20 BBGD COCCOCC(=O)NN=C1CCOC1 872402895 MSTCPTYFFKBHOE-UHFFFAOYSA-N 216.237 -0.458 50 20 BBGD CC(C)C1(C(=O)NNc2cnnn2C)COC1 899143732 OGQSMPYHYOLIGM-UHFFFAOYSA-N 239.279 -0.069 50 20 BBGD O=C(NN=CC[C@@H]1CCOC1)C(=O)NC1CC1 1116424638 KTYDBDZDBYMESA-MRVPVSSYSA-N 239.275 -0.206 50 20 BBGD Cc1cc(=O)c(C(=O)NN(C)C[C@@H](C)O)c[nH]1 1119644786 LGJGNVUFNQLRTF-MRVPVSSYSA-N 239.275 -0.359 50 20 BBGD COC1(C(=O)NNC(=O)C2CC2)CCOCC1 1322956765 GXDUYRXPADZKAO-UHFFFAOYSA-N 242.275 -0.261 50 20 BBGD O=C([C@@H]1CCCOC1)N1CC[C@@H](B(O)O)C1 1329215210 NECDHCLZKLLZNG-RKDXNWHRSA-N 227.069 -0.512 50 20 BBGD Cc1ncncc1C(=O)NNC(=O)CN(C)C 1339032270 ILEOPBUZLYUTMI-UHFFFAOYSA-N 237.263 -0.892 50 20 BBGD O=C(NNC(=O)C1(C(=O)O)CC1)c1ccccn1 1594779867 YQMSDEMOMVEDJC-UHFFFAOYSA-N 249.226 -0.293 50 20 BBGD O=C(O)CNC(=O)NN=C1CCN2CCC[C@@H]12 1602071215 HOEJZTFKFJZRAH-QMMMGPOBSA-N 240.263 -0.406 50 20 BBGD Cn1cnn(CC(=O)NNc2ccccn2)c1=O 183129331 VEMPODDOCRYQSY-UHFFFAOYSA-N 248.246 -0.880 50 20 BBGD CC[C@@H](C(=O)NNC(=O)NC)N(C)C 268772221 MEUADXABCJWKND-LURJTMIESA-N 202.258 -0.713 50 20 BBGD COc1ccnc(NNC(=O)[C@@H](C)O)n1 270759757 MFJIBIKGRGCSEQ-RXMQYKEDSA-N 212.209 -0.691 50 20 BBGD CC(=O)NN[C@H](Cc1ccc(F)cc1)C(N)=O 273000037 MOHZQGIDJOYODN-SNVBAGLBSA-N 239.250 -0.137 50 20 BBGD N#CC1(NC(=O)c2cccc(B(O)O)c2)CCC1 584935720 VPZYKHUCQSPKEF-UHFFFAOYSA-N 244.059 -0.458 50 20 BBGD CN(C)CCCNCc1ccc(B(O)O)o1 585014500 UAHBXLJNRXUBOF-UHFFFAOYSA-N 226.085 -0.999 50 20 BBGD C[C@H](O)CCCNCc1cccc(B(O)O)c1 585039814 YVTFZNDPVVURIF-JTQLQIEISA-N 237.108 -0.383 50 20 BBGD CCOCCN(C)[C@@H](C)C(=O)NNC(=O)CC 772375120 TYYSNPYTEXTYCR-VIFPVBQESA-N 245.323 -0.099 50 20 BBGD COCC1(C(=O)NNC(C)=O)CCC1 785669440 BZCYTCWGLGDAIG-UHFFFAOYSA-N 200.238 -0.030 50 20 BBGD CC[C@](C)(O)C(=O)NNC(=O)[C@@H]1CCCCO1 820936523 MVYCHUDFRATZQG-KWQFWETISA-N 244.291 -0.136 50 20 BBGD C[C@H](O)CN(C)NC(=O)C(=O)C(C)(C)C 821217578 LKJMYRROLKWNKD-ZETCQYMHSA-N 216.281 -0.055 50 20 BBGD O=C(NNc1cnccn1)[C@@H](O)C1CC1 832395221 HKASBJDQXORGOA-QMMMGPOBSA-N 208.221 -0.309 50 20 BBGD C[C@@H]1OCC[C@@H]1C(=O)NN=C1CCN(C)C1=O 842559694 JVYPIFJABLOYKX-YUMQZZPRSA-N 239.275 -0.254 50 20 BBGD CCCOCC(=O)NNC(=O)[C@H]1CCO[C@H]1C 843648983 SRKRAXFRNFIQTE-IUCAKERBSA-N 244.291 -0.015 50 20 BBGD CC(C)C(=O)NNC(=O)[C@H](O)C1CC1 854214662 PWZHAOSTYVJRLY-SSDOTTSWSA-N 200.238 -0.439 50 20 BBGD COC1CC(C(=O)NNC(=O)C2CC2)C1 858121992 OMTVYVNDNLVPOY-UHFFFAOYSA-N 212.249 -0.031 50 20 BBGD C[C@@](O)(C(=O)NNC(=O)c1cn[nH]c1)C1CC1 862470620 SWYLMPOGSXMCBI-JTQLQIEISA-N 238.247 -0.668 50 20 BBGD CCCNC(=O)NNC(=O)/C=C/COC 865023259 XKARDUFRJLSULI-SNAWJCMRSA-N 215.253 -0.071 50 20 BBGD CN1CC[C@@H](NCc2ccccc2B(O)O)C1 877020214 ZUPFAVJRTYBGQO-LLVKDONJSA-N 234.108 -0.840 50 20 BBGD C#CCCCC(=O)NNC(=O)CCOC 887142893 DNZMFBMAOGSDBL-UHFFFAOYSA-N 212.249 -0.026 50 20 BBGD CC(Cn1cncn1)=NNC(=O)CCO 1118526180 UXDLDGVYFLUCND-UHFFFAOYSA-N 211.225 -0.847 50 20 BBGD C=CC[C@@H](NCc1ccc(B(O)O)cc1)C(=O)O 1119536440 LYDFJGUQIIPKOZ-LLVKDONJSA-N 249.075 -0.515 50 20 BBGD CN(NC(=O)c1nnc2ccccc2n1)C(N)=O 1256768996 VPTOWAPNOLUAPO-UHFFFAOYSA-N 246.230 -0.320 50 20 BBGD COC(=O)NCC(=O)NNC(=S)NC(C)C 1319763242 UMOPVQQFNMRNLD-UHFFFAOYSA-N 248.308 -0.754 50 20 BBGD O=C(CO[C@H]1CCOC1)NNC(=O)CC1CC1 1326395625 XQSIVMDCXZPDCB-VIFPVBQESA-N 242.275 -0.261 50 20 BBGD CCn1ccnc1C=NNC(=O)[C@@H]1CCC(=O)N1 1329190231 CRPBSZXUXFNQQY-QMMMGPOBSA-N 249.274 -0.368 50 20 BBGD C[C@@H](C(=O)NNC(=O)CS(C)(=O)=O)C1CC1 1331736417 LOGHVKHTOQRPEW-ZCFIWIBFSA-N 248.304 -0.776 50 20 BBGD CN(NC(=O)c1cnn(C)c1C1CC1)C(N)=O 1341910979 ZMJQRHHJCPAMND-UHFFFAOYSA-N 237.263 -0.047 50 20 BBGD CCOC(=O)/C(C#N)=C/N[C@H](CF)C(=O)O 1605503859 MKHXYBRMGOPPTP-WEWAHIQMSA-N 230.195 -0.031 50 20 BBGD CCN(CC#N)CC(=O)NNC(=O)C1CC1 112977899 RTMXCBXNKXNYOF-UHFFFAOYSA-N 224.264 -0.611 50 20 BBGD CN(C)C/C=C/C(=O)NNC(=O)c1ccccn1 265639926 PSVALHYWIKVQHQ-FNORWQNLSA-N 248.286 -0.040 50 20 BBGD Cc1ccc(C(=O)NNC(=O)[C@@H](C)O)o1 276507688 KFMBDQPZVRGMNO-ZCFIWIBFSA-N 212.205 -0.270 50 20 BBGD C#CCNC(=O)NNc1nncc(N)c1Cl 381399117 POMDIOSYXTWSNE-UHFFFAOYSA-N 240.654 -0.029 50 20 BBGD C/C(=C/c1ccncc1)C(=O)NCB(O)O 585062288 FJDOKDPUVVLYKB-VURMDHGXSA-N 220.037 -0.387 50 20 BBGD CC[C@@H](OC)C(=O)NNC(=O)CN(C)C 733359151 CONKXWNEMPZOJC-SSDOTTSWSA-N 217.269 -0.880 50 20 BBGD CC(=O)NNC(=O)Nc1nn(C)cc1C#N 765201862 BOTCXAPBBVEEBA-UHFFFAOYSA-N 222.208 -0.536 50 20 BBGD CC(=O)NNC(=O)C(=O)N1CCC[C@@H](C)C1 767404042 UWXLJQGNOXBEAS-SSDOTTSWSA-N 227.264 -0.588 50 20 BBGD COCC(=O)NNC(=O)Nc1ccncn1 770767931 JFFKJJBNTFAUPP-UHFFFAOYSA-N 225.208 -0.724 50 20 BBGD Cc1cnn(C)c1C=NNC(=O)C(C)(C)O 794932305 CXJGZOBERRFFLA-UHFFFAOYSA-N 224.264 -0.050 50 20 BBGD CCN(CCO)NC(=O)[C@H]1CC1(F)F 823889331 RMJMNAQOMFGMOG-ZCFIWIBFSA-N 208.208 -0.013 50 20 BBGD CCc1nn(C)cc1C(=O)NN(C)[C@H](C)CO 823939556 LXJZVUGZADMYCB-MRVPVSSYSA-N 240.307 -0.060 50 20 BBGD C[C@@H](O)CN(C)NC(=O)[C@H]1CCCC(=O)N1C 910181939 DSTMCAZLSNXQHR-RKDXNWHRSA-N 243.307 -0.659 50 20 BBGD CN(C)C(=O)NNC(=O)COC(F)(F)F 931120197 YDJKPLUBBDQVGY-UHFFFAOYSA-N 229.158 -0.175 50 20 BBGD O=C1N[C@@H](C(=O)NNc2ncccn2)CCO1 1331534161 SNIWRGGZLIPZGF-ZCFIWIBFSA-N 237.219 -0.582 50 20 BBGD CN(NC(=O)[C@H](O)c1cccnc1)C(N)=O 1345427919 RBELLTLDSSZVFB-SSDOTTSWSA-N 224.220 -0.843 50 20 BBGD O=C(O)CCC(=O)NNC(=O)C1CCC1 1611416470 HYFOSDIJEHSOCT-UHFFFAOYSA-N 214.221 -0.201 50 20 BBGD CCOC(=O)/C(C#N)=C\NNC(=O)CCCO 220647636 FBDCLXPEKQAAJC-FPLPWBNLSA-N 241.247 -0.650 50 20 BBGD C=CCNC(=S)NNC(=O)[C@H](C)OC 281381727 XJAZITZBAMKKMR-LURJTMIESA-N 217.294 -0.297 50 20 BBGD C#C[C@@H](C)N(C)CC(=O)NNC(=O)C(C)C 491295813 IVJBMMMANHWXMX-SECBINFHSA-N 225.292 -0.257 50 20 BBGD C[C@H](C#N)CNC(=O)c1ccc(B(O)O)cc1 584941891 MXUUGZCVTKHZDS-MRVPVSSYSA-N 232.048 -0.744 50 20 BBGD CCN(C(=O)c1ccc(B(O)O)cc1)C1COC1 584995634 OYVSDOQCRRUJJY-UHFFFAOYSA-N 249.075 -0.773 50 20 BBGD C[C@@](O)(CNCc1ccc(B(O)O)cc1)C1CC1 585024387 VSMVWRDHHKTGMI-CYBMUJFWSA-N 249.119 -0.383 50 20 BBGD CCC1(C(=O)NNC(=O)C(=O)NC(C)C)CC1 749335901 UPJYJNBYIITAHO-UHFFFAOYSA-N 241.291 -0.151 50 20 BBGD CC(C)CC(=O)NNC(=O)C(C)(C)C(N)=O 767510015 CEMFFDRNAFCQAR-UHFFFAOYSA-N 229.280 -0.309 50 20 BBGD C[C@@H](C(=O)NNC(=O)C(C)(C)O)C1CC1 768245639 WYGMWBKYJFGXLB-ZCFIWIBFSA-N 214.265 -0.049 50 20 BBGD CS(=O)(=O)[C@H]1CCCCC1=NNC(=O)CO 776779728 QBFZNDRDFMIDNY-QMMMGPOBSA-N 248.304 -0.562 50 20 BBGD C[C@@H]1C[C@@H]1C(=O)NNC(=O)C(C)(C)O 787946473 CKQYSIXQUIMHSH-RITPCOANSA-N 200.238 -0.439 50 20 BBGD O=C(CO)NNC(=O)CCCC1CCOCC1 799102706 NMTOJGRDPITISS-UHFFFAOYSA-N 244.291 -0.277 50 20 BBGD COc1ccc(C(=O)NN(C)[C@@H](C)CO)nn1 823953094 YDNUOPJNIDHCND-ZETCQYMHSA-N 240.263 -0.557 50 20 BBGD Cc1cc(NNC(=O)CN(C)C)nc(N)n1 828366788 CJQHEHNDDDOZFR-UHFFFAOYSA-N 224.268 -0.628 50 20 BBGD CCC(=O)NNS(=O)(=O)N1C[C@H]2CC[C@H]1C2 844643134 NQUCZUZIMKWGHX-YUMQZZPRSA-N 247.320 -0.254 50 20 BBGD Cc1cc(NNC(=O)[C@@H]2CC[C@H]2C(N)=O)ncn1 857126931 HFNJDRDXFVQUOT-HTQZYQBOSA-N 249.274 -0.260 50 20 BBGD COC[C@@H](C)NC(=S)NNC(=O)OC 916116340 QQPRGTTYVPCNKB-RXMQYKEDSA-N 221.282 -0.244 50 20 BBGD CCN(CCO)NC(=O)c1cc(CO)on1 1261911045 QZOBLPMVFIDWRY-UHFFFAOYSA-N 229.236 -0.874 50 20 BBGD CC(C)NC(=S)NNC(=O)C1=COCCO1 1317701912 VSRDWLMXBKLURH-UHFFFAOYSA-N 245.304 -0.222 50 20 BBGD CCOC(=O)NNC(=O)C[C@H]1COC(=O)C1 1319314602 SHYGWGZVTHVQGI-ZCFIWIBFSA-N 230.220 -0.283 50 20 BBGD O=C(Cc1cc[nH]n1)NNC(=O)c1ccon1 1320394290 GJJMBMZALCBBHC-UHFFFAOYSA-N 235.203 -0.599 50 20 BBGD CCn1nccc1C(=O)NNC(=O)NC 1320419852 XUWNIIZHQXUAPK-UHFFFAOYSA-N 211.225 -0.523 50 20 BBGD COCCC(COC)=NNC(=O)C(=O)OC 1323973824 CNNHKMNGLJXBOP-UHFFFAOYSA-N 232.236 -0.686 50 20 BBGD COc1cccc(C=NNC(=O)C(=O)O)n1 1599665715 RSHHIINUAVKWRR-UHFFFAOYSA-N 223.188 -0.375 50 20 BBGD C[C@@H](C(=O)O)C(=O)NNC(=O)N(C)C 1602803955 BTCGRXDRWXNQHL-SCSAIBSYSA-N 203.198 -0.991 50 20 BBGD C=C[C@H](NNC(=O)[C@@H]1CCCCO1)C(=O)O 1602819278 RMFQTZFZHSRJJL-YUMQZZPRSA-N 228.248 -0.185 50 20 BBGD CCOC1CC(=NNC(=O)NCC(=O)O)C1 1605597903 OOYAPNSEOMDNOI-UHFFFAOYSA-N 229.236 -0.075 50 20 BBGD CCO/C=C(\C#N)C(=O)N[C@@H](COC)C(=O)O 1605618148 GUHCWSXNMOLNDN-IVGLGHLBSA-N 242.231 -0.354 50 20 BBGD COC[C@@H](O)CNS(=O)(=O)CCl 70590876 AZPNTLITKUCZJB-YFKPBYRVSA-N 217.674 -0.891 50 20 BBGD COCCCC(=O)NNC(=O)c1c[nH]nc1C 110758242 OIJFDGQLXFOYCI-UHFFFAOYSA-N 240.263 -0.094 50 20 BBGD COCC(=O)NNC(=S)N[C@@H](C)C1CC1 175537954 TZIXZBQKHWSNPY-LURJTMIESA-N 231.321 -0.073 50 20 BBGD CN1CCN(C(=O)NNC(=O)C(F)F)CC1 290515381 UESBKNOSBFBTME-UHFFFAOYSA-N 236.222 -0.760 50 20 BBGD C[C@@](O)(C(=O)Nc1cccc(B(O)O)c1)C1CC1 584912161 CPHMSKRSLPNQSH-LBPRGKRZSA-N 249.075 -0.534 50 20 BBGD C[C@H]1CN(C(=O)c2ccc(B(O)O)cc2)CCO1 584926021 AZAPYMOQRJEVOZ-VIFPVBQESA-N 249.075 -0.773 50 20 BBGD C[C@H](CC#N)N(C)C(=O)c1cccc(B(O)O)c1 584942858 NPKHJRQLRKWSPX-SECBINFHSA-N 246.075 -0.259 50 20 BBGD OB(O)c1cccc(CN[C@@H]2CCOC2)c1 585030097 OMSVBIMJGSZJIZ-LLVKDONJSA-N 221.065 -0.755 50 20 BBGD COc1ccc(O)c(C(=O)NCB(O)O)c1 585062656 LHNMCVUXMYVQHC-UHFFFAOYSA-N 225.009 -0.857 50 20 BBGD O=C(NCB(O)O)c1ccc2cccnc2c1 585066631 MOKQXVPCOJTVMI-UHFFFAOYSA-N 230.032 -0.023 50 20 BBGD Cn1cnc2cc(C(=O)NNC(=O)CO)ccc21 753436966 FLIXPTOQCUFYCV-UHFFFAOYSA-N 248.242 -0.673 50 20 BBGD CCNS(=O)(=O)N1CC=C(C#N)CC1 759081412 LBASWBMDKYWKFZ-UHFFFAOYSA-N 215.278 -0.004 50 20 BBGD CC(C)(O)C(=O)NNC(=O)CC1CC1 768260416 BZGIJWDVBKJHAA-UHFFFAOYSA-N 200.238 -0.295 50 20 BBGD CCN(CCO)NC(=O)CCCC(=O)NC 823874154 MDCLRXSJDWRQFP-UHFFFAOYSA-N 231.296 -0.752 50 20 BBGD C[C@H](CO)N(C)NC(=O)[C@@H](O)c1ccccn1 823927869 HZAIWWCJDDWWTC-SCZZXKLOSA-N 239.275 -0.541 50 20 BBGD CC[C@@H](OC)C(=O)NN(C)[C@@H](C)CO 823964598 BZHHMUTXDSENCF-JGVFFNPUSA-N 204.270 -0.245 50 20 BBGD CCN1C[C@H](C(=O)NN(C)[C@@H](C)CO)CC1=O 823976914 LCVZXLZRSNXOFJ-DTWKUNHWSA-N 243.307 -0.801 50 20 BBGD CC(C)NC(=O)NNC(=O)[C@@H]1CCCN1C=O 824404274 NKFMYVZIWXFBEV-QMMMGPOBSA-N 242.279 -0.654 50 20 BBGD COC[C@@H](OC)C(=O)NN(C)C(=O)OC 854409048 GDLOGZCMUIBYRY-ZCFIWIBFSA-N 220.225 -0.623 50 20 BBGD CCCCNC(=O)NNC(=O)[C@@H]1CCC(=O)N1 865015335 ZGUCKIDTWGXRTQ-ZETCQYMHSA-N 242.279 -0.605 50 20 BBGD CCN(CCO)NC(=O)C12CCN(CC1)C2 911443759 MGCZCHLNYLPUQG-UHFFFAOYSA-N 227.308 -0.572 50 20 BBGD Cc1cc(C(=O)NN)n2nc(C)cc2n1 917609873 HBSCNTIYBDWAGV-UHFFFAOYSA-N 205.221 -0.050 50 20 BBGD Cc1cnn(CC(=O)NNC(=O)C(C)C)c1 918690308 WYZLTXWPZZNKKH-UHFFFAOYSA-N 224.264 -0.005 50 20 BBGD CN(NC(=O)c1ccc(O)nc1)C(N)=O 1319989511 OIHOMNQMRCOIRS-UHFFFAOYSA-N 210.193 -0.558 50 20 BBGD COC(=O)N(C)NC(=O)C(=O)c1cnn(C)c1 1322251001 NDRNYDFQUWPDTH-UHFFFAOYSA-N 240.219 -0.668 50 20 BBGD Cc1cnc(C(=O)NNc2nc[nH]n2)cn1 1325023304 NTZVFLPZAUWRCI-UHFFFAOYSA-N 219.208 -0.340 50 20 BBGD CN(C)C(=O)NNC(=O)CCn1ccnc1 1325425148 WBAISMRNOREZPH-UHFFFAOYSA-N 225.252 -0.424 50 20 BBGD Cc1nnc(C(=O)NNC(=O)NC2CC2)s1 1327864124 RGPBIDIBJSKCJF-UHFFFAOYSA-N 241.276 -0.047 50 20 BBGD CC(=NNC(=O)[C@@H]1CCC(=O)N1)c1nccn1C 1331823175 ZCDFYINXSIJDGN-QMMMGPOBSA-N 249.274 -0.461 50 20 BBGD O=C(NNC(=O)[C@H]1C[C@@H]1F)c1cn[nH]c1 1337617406 LMTLXQWIDVNUOQ-WDSKDSINSA-N 212.184 -0.471 50 20 BBGD CO[C@H]1CCC[C@H]1C(=O)NNC(=O)C(C)(C)O 1338960876 RWJZXBCTBVAXAN-SFYZADRCSA-N 244.291 -0.280 50 20 BBGD CC(C)NC(=S)NNC(=O)CCCC(N)=O 1339379143 UZFGAZQRYYHYAP-UHFFFAOYSA-N 246.336 -0.454 50 20 BBGD Cc1cn2ccnc(C(=O)NN(C)C(N)=O)c2n1 1343723148 VDDKTPVBVBUGEN-UHFFFAOYSA-N 248.246 -0.307 50 20 BBGD O=C(O)C(=O)NNC(=S)NCC1CCC1 1608530698 ALANQAMGWGCDRI-UHFFFAOYSA-N 231.277 -0.634 50 20 BBGD CNC(=O)NNC(=O)C1(OC)CCC1 272924156 BFWIHUJSTNVLFF-UHFFFAOYSA-N 201.226 -0.484 50 20 BBGD C[C@H](CC(N)=O)C(=O)NNC(=O)c1ccccc1 282800997 AIVUHUBUSPNCOB-MRVPVSSYSA-N 249.270 -0.041 50 20 BBGD CCOC(=O)NNS(=O)(=O)N(C)C 379397651 DYFGAELCBZWJOQ-UHFFFAOYSA-N 211.243 -0.957 50 20 BBGD CCn1cc(CNS(=O)(=O)CCl)nn1 404429907 HRIJZLVUXYTCQY-UHFFFAOYSA-N 238.700 -0.086 50 20 BBGD COC(=O)NC(C)(C)C(=O)NN(C)C(N)=O 494435494 RJDIKEVQMUYVKL-UHFFFAOYSA-N 232.240 -0.837 50 20 BBGD OB(O)c1ccc(CNC[C@@H]2CCCCO2)o1 585021017 NWVXBUYHNPAOHA-VIFPVBQESA-N 239.080 -0.382 50 20 BBGD OCC(F)(F)CNCc1ccc(B(O)O)cc1 585036092 DNCLPZFVHIWNRH-UHFFFAOYSA-N 245.034 -0.916 50 20 BBGD O=C(NCB(O)O)c1ccc(F)cc1O 585072280 LAHXEZSTFMYKOT-UHFFFAOYSA-N 212.973 -0.727 50 20 BBGD CS(=O)(=O)[C@@H]1CCCCC1=NNC(N)=O 741451762 VKIPGYYIBPBDNF-SSDOTTSWSA-N 233.293 -0.002 50 20 BBGD CC[C@@H](C(=O)NNC(=O)NC)N1CCCC1=O 746158987 CKGCIBCHOHGMET-ZETCQYMHSA-N 242.279 -0.652 50 20 BBGD COC[C@H](C)[C@@H](C)C(=O)NNC(=O)C(C)(C)O 813530341 PIPNIUSWRLETRA-JGVFFNPUSA-N 246.307 -0.177 50 20 BBGD COCCOCCC(=O)NN(C)[C@@H](C)CO 823965915 VJHOUYMQDVIJBZ-VIFPVBQESA-N 234.296 -0.617 50 20 BBGD Cn1cc(/C=C(/C#N)C(=O)N[C@H]2C[C@@H](O)C2)cn1 830555562 ZHELGINZPLHIJM-JFJMHIKXSA-N 246.270 -0.033 50 20 BBGD C=CCCn1cc(C=NNC(=O)CO)nn1 853329290 DGGVADDZBYWGGL-UHFFFAOYSA-N 223.236 -0.703 50 20 BBGD COC[C@H](OC)C(=O)NNc1ccncn1 854746530 CREAPNBIQGTTFS-ZETCQYMHSA-N 226.236 -0.419 50 20 BBGD O=C1CC[C@@H](C(=O)NN=C[C@H]2CCCOC2)N1 863149470 AIOYECCPOMXWLI-BDAKNGLRSA-N 239.275 -0.206 50 20 BBGD C[C@@H](O)CN(C)NC(=O)CNc1ccccn1 910141459 UHOVYKYWNZJNTD-SECBINFHSA-N 238.291 -0.163 50 20 BBGD CC(=O)N[C@H](C)C(=O)NNC(=O)NC1CC1 1317992427 AYPUFFZWSHZSSD-RXMQYKEDSA-N 228.252 -0.996 50 20 BBGD CCOCC(=O)NNc1nccn(C)c1=O 1319432806 KNXCRWYMPYBAIW-UHFFFAOYSA-N 226.236 -0.740 50 20 BBGD CN(C)C(=O)NNC(=O)[C@H]1C[C@@H](C(=O)O)C1 1606002094 QDZKNEDCAVHLHT-OLQVQODUSA-N 229.236 -0.600 50 20 BBGD CC(C)CC(=O)NNC(=O)CN(C)C 171365061 IGNLNLJBRCVTAX-UHFFFAOYSA-N 201.270 -0.259 50 20 BBGD Cc1cc(C(=O)NNC(=O)[C@@H](O)C(C)C)[nH]n1 292138603 LUXFYNPFHXUMKU-QMMMGPOBSA-N 240.263 -0.504 50 20 BBGD COCCN(C)NC(=O)/C=C/CN(C)C 294270304 FXIGKBXFMTUPPQ-AATRIKPKSA-N 215.297 -0.286 50 20 BBGD C[C@H](C#N)CN(C)C(=O)c1ccc(B(O)O)cc1 584934207 MJXKWZMXHJDKKR-SECBINFHSA-N 246.075 -0.402 50 20 BBGD CCc1nn(C)cc1NCc1ccc(B(O)O)o1 585035031 OYFURKGMSSOWJV-UHFFFAOYSA-N 249.079 -0.133 50 20 BBGD CCCNC(=O)CCC(=O)NNC(C)=O 732258734 RNZISJRTZWRWSS-UHFFFAOYSA-N 215.253 -0.540 50 20 BBGD Cc1cc(C(=O)NNC(=O)c2n[nH]cc2C)n[nH]1 799423363 VCVJRGPMEBWMID-UHFFFAOYSA-N 248.246 -0.176 50 20 BBGD C=C[C@H](O)C(=O)NNC(=O)NCCCC 823755828 LMGUNNZBEJPTED-ZETCQYMHSA-N 215.253 -0.336 50 20 BBGD Cc1cc(NNC(=O)[C@H]2C[C@@H](O)C2)ncn1 896382280 HFXOMMJTBRQKLH-OCAPTIKFSA-N 222.248 -0.001 50 20 BBGD C[C@H](CO)N(C)NC(=O)[C@@H]1[C@H]2CCC(=O)[C@@H]21 911445446 VLOZVRKVTWKNPZ-BKFJMODKSA-N 226.276 -0.445 50 20 BBGD CNC(=O)NNC(=O)CCCCc1cnn[nH]1 1116555329 OIEFQYMGAMSIQY-UHFFFAOYSA-N 240.267 -0.522 50 20 BBGD O=C(NNC(=O)[C@@]1(F)CCOC1)NC1CC1 1117665584 AUNWMFTXPDKYTQ-SECBINFHSA-N 231.227 -0.392 50 20 BBGD COCCN(C)NC(=O)c1[nH]nnc1C 1118384039 PBJPJMAYSXBTKG-UHFFFAOYSA-N 213.241 -0.664 50 20 BBGD Cn1cc(C=NNC(=O)CO)c(C(F)F)n1 1261210918 DLPIUMYQLJVNSV-UHFFFAOYSA-N 232.190 -0.200 50 20 BBGD CC[C@H](F)C(=O)NNC(=O)c1ncon1 1336095740 PYLNLYWIHUOFMJ-BYPYZUCNSA-N 216.172 -0.421 50 20 BBGD CC(=O)NNC(=O)C1CC2(CNC[C@@H]2C#N)C1 1575014638 HKYIWEZUZCOJKG-YUCVTWSNSA-N 236.275 -0.707 50 20 BBGD O=C(NNC(=O)C1(C(=O)O)CCC1)C1CC1 1594778991 HQYLFPXQTBRTQN-UHFFFAOYSA-N 226.232 -0.201 50 20 BBGD CC(C)[C@@H](C(=O)O)C(=O)NNC(=O)C(C)(C)O 1602970348 QPKFNXGDCPGUMN-ZCFIWIBFSA-N 246.263 -0.739 50 20 BBGD COCC(=O)NN=Cc1cc(C(=O)O)no1 1606774507 RCJLRYFLEOWWAF-UHFFFAOYSA-N 227.176 -0.531 50 20 BBGD CCN(CC(=O)NNC(=O)CN(C)C)C1CC1 131859319 YZTLVGJQFBUFBP-UHFFFAOYSA-N 242.323 -0.820 50 20 BBGD O=C(CO)NNC(=O)c1ccc2nccn2c1 182760076 LZKWVYROJXHGAQ-UHFFFAOYSA-N 234.215 -0.912 50 20 BBGD CN(C)C/C=C/C(=O)NNC(=O)C1CC1 265604943 FSFJOHLPRUZYIJ-ONEGZZNKSA-N 211.265 -0.338 50 20 BBGD O=C1NC(=O)[C@@H]2CN(C(=O)CCCl)C[C@@H]12 306882978 ODHFFWGQBULKSE-PHDIDXHHSA-N 230.651 -0.654 50 20 BBGD CCOC(=O)NNC(=O)CCCC(N)=O 490867362 IWINUYSLDJGYAG-UHFFFAOYSA-N 217.225 -0.581 50 20 BBGD CCOC(=O)NNC(=O)CC(C)(C)O 492129649 FGOZEEMPVBGHSU-UHFFFAOYSA-N 204.226 -0.075 50 20 BBGD CC(C)(C)C(=O)NNC(=O)CSCC(N)=O 735650099 MOCIZPXYNBGYDD-UHFFFAOYSA-N 247.320 -0.602 50 20 BBGD CN1CC[C@H](C(=O)NNc2cccnn2)CC1=O 736698857 SXXKSJZTPTXGAC-QMMMGPOBSA-N 249.274 -0.212 50 20 BBGD C[C@@H](CC(=O)NNC(=O)CO)C1CC1 753451617 GLKHVKUHBADKEM-LURJTMIESA-N 200.238 -0.438 50 20 BBGD CC(C)(O)C(=O)NNC(=O)C[C@H]1CCCCO1 768244571 LWSWNRFXCGBAQA-MRVPVSSYSA-N 244.291 -0.136 50 20 BBGD CC(C)(O)CC(=O)NNC(=O)NC1CC1 792081830 DHXGBAXKIMDLHM-UHFFFAOYSA-N 215.253 -0.360 50 20 BBGD NC(=O)C(=O)NN=Cc1c[nH]c(C(F)(F)F)c1 807944677 LLKXYJPJLSAQEF-UHFFFAOYSA-N 248.164 -0.031 50 20 BBGD CN(C1(CO)CC1)S(=O)(=O)CCl 849391755 HITRSAPNIPIQSC-UHFFFAOYSA-N 213.686 -0.031 50 20 BBGD CCOC(=O)NNC(=O)[C@@H](COC)OC 854163516 XUGRYZQITPECPR-ZCFIWIBFSA-N 220.225 -0.575 50 20 BBGD CC(F)(F)C(=O)NNC(=O)c1cc[nH]n1 855356171 NGOZXGJPSOXHCH-UHFFFAOYSA-N 218.163 -0.174 50 20 BBGD O=C1C[C@H](C(=O)NNc2ncc(Cl)cn2)N1 857730255 OCDXNCUIHAENBT-RXMQYKEDSA-N 241.638 -0.538 50 20 BBGD C[C@H](CO)N(C)NC(=O)CNc1ccccn1 911444977 LTKFPRNAAHBUHD-SECBINFHSA-N 238.291 -0.163 50 20 BBGD NC(=O)c1cc(C(=O)NNc2cccnn2)c[nH]1 1320053951 NSXSRSIKHARUKZ-UHFFFAOYSA-N 246.230 -0.340 50 20 BBGD Cn1cnc(C(=O)NNc2ccn(C)n2)c1 1321388080 DAITVBXDUBPYMQ-UHFFFAOYSA-N 220.236 -0.090 50 20 BBGD O=C(Cc1cccnc1)NNC(=O)[C@H]1CCOC1 1322468874 MNPIDFVYMSNSFF-JTQLQIEISA-N 249.270 -0.192 50 20 BBGD COC(=O)NNC(=O)c1cn(C)nc1C 1325555446 UGPCDUIQQQSOFV-UHFFFAOYSA-N 212.209 -0.271 50 20 BBGD O=C1CC[C@@H](C(=O)NN=CC[C@H]2CCOC2)N1 1329192128 SOXBONFNUBRPSQ-IUCAKERBSA-N 239.275 -0.206 50 20 BBGD CC1=NO[C@](C)(C(=O)NN(C)C(N)=O)C1 1336417814 AZJZVPWDECNGKU-QMMMGPOBSA-N 214.225 -0.417 50 20 BBGD C=C(Cl)C[C@@H](N)C(=O)NN(C)[C@H](C)CO 1574067182 LWTBPSILFGZERO-HTQZYQBOSA-N 235.715 -0.200 50 20 BBGD CC(=O)NNC(=O)c1nc2nc(C)cc(C)n2n1 36748015 CNBFIJAZOLCHAG-UHFFFAOYSA-N 248.246 -0.478 50 20 BBGD NNC(=O)c1ccc2c(c1)NC(=O)CO2 36962707 FWMCALBBZZDGML-UHFFFAOYSA-N 207.189 -0.379 50 20 BBGD CC(=O)NNC(=O)Nc1nnc2ccccn12 163267777 KPABJEQLRKNBBN-UHFFFAOYSA-N 234.219 -0.098 50 20 BBGD C=CCCS(=O)(=O)NNC(=O)[C@H]1CCCO1 292433676 MAOLKQHTXIAWIN-MRVPVSSYSA-N 248.304 -0.308 50 20 BBGD C[C@@H]1C[C@@H]1CNC(=O)c1cccc(B(O)O)c1 584929767 PRWATIUESKMWFL-PSASIEDQSA-N 233.076 -0.248 50 20 BBGD C[C@@H](F)CCNCc1ccc(B(O)O)o1 585043475 PCMQBTRIKDQFHR-SSDOTTSWSA-N 215.033 -0.203 50 20 BBGD CC(C)NC(=O)NNC(=O)[C@@H](C)n1cncn1 729920184 JZQMMLURFFGWGH-SSDOTTSWSA-N 240.267 -0.422 50 20 BBGD O=C(O)CSCC(=O)NNC(=O)C1CCC1 740485269 FKRGHKLJOXGSRF-UHFFFAOYSA-N 246.288 -0.248 50 20 BBGD C#Cc1ccc(C(=O)NNC(=O)C(C)(C)O)nc1 768260382 VZFVKMVLXHKMLR-UHFFFAOYSA-N 247.254 -0.405 50 20 BBGD CN(NC(=O)c1ccc(NC=O)cc1)C(N)=O 778418759 SQJUJWAHYBAXMJ-UHFFFAOYSA-N 236.231 -0.090 50 20 BBGD COCC(=NNC(=O)CO)C1CCOCC1 780242996 MBJZBKNKRRXGJS-UHFFFAOYSA-N 230.264 -0.476 50 20 BBGD CCNC(=O)N(C)NC(=O)C1(O)CCCC1 780708265 DIZAFDUBIHPTFJ-UHFFFAOYSA-N 229.280 -0.016 50 20 BBGD CC[C@@H](NC(C)=O)C(=O)NN(C)[C@@H](C)CO 823907138 INSUWNGYXAGBNF-IONNQARKSA-N 231.296 -0.755 50 20 BBGD CC(C)CC(=O)NNC(=O)[C@H](C)NC(=O)O 833472333 AYHPJJIOLOJYED-LURJTMIESA-N 231.252 -0.164 50 20 BBGD CCNCCNS(=O)(=O)CBr 850582849 VTQYCELXGPHYEI-UHFFFAOYSA-N 245.142 -0.132 50 20 BBGD CN1CCC[C@@H]1C(=O)NNC(=O)c1cn[nH]c1 862471377 BZJLZVYMTALYSQ-MRVPVSSYSA-N 237.263 -0.735 50 20 BBGD Cc1cc(=NNC(=O)[C@@H]2CCNC2=O)cc[nH]1 862515052 HFIXZBIFHRNZPK-SECBINFHSA-N 234.259 -0.609 50 20 BBGD C[C@H]1CC(=NNC(=O)[C@@H]2CCC(=O)N2)CCO1 863147613 KDLSGTZWIYFSJN-CBAPKCEASA-N 239.275 -0.064 50 20 BBGD O=C(c1cccc(B(O)O)c1)N1CCCCO1 863880418 YVSDJKOCHLVCGH-UHFFFAOYSA-N 235.048 -0.466 50 20 BBGD O=C(c1cccc(B(O)O)c1)N1C[C@H]2C[C@@H]2C1 863887516 LPALQMVDCUAVRZ-NXEZZACHSA-N 231.060 -0.542 50 20 BBGD C=C[C@@](C)(O)C(=O)NN(C)C[C@@H](C)O 910150966 XQENFBMSWSYFAY-VXNVDRBHSA-N 202.254 -0.733 50 20 BBGD CCN(CCO)NC(=O)CCc1cncn1C 1119104116 HMMKPJOLWQVQQO-UHFFFAOYSA-N 240.307 -0.302 50 20 BBGD Cc1nccc(C(=O)N2CC[C@H](B(O)O)C2)n1 1261844599 UUTPVTJCCXCBJR-QMMMGPOBSA-N 235.052 -0.526 50 20 BBGD Cn1cc(C(=O)NNC(=O)c2cnn(C)c2)cn1 1318562213 JRSIFTSMDOOZSB-UHFFFAOYSA-N 248.246 -0.772 50 20 BBGD CC(=O)NNC(=O)[C@@H]1CCN(C)C(=O)C1 1320555380 XYXIBAOZCFMMHG-SSDOTTSWSA-N 213.237 -0.978 50 20 BBGD CCn1nncc1C(=O)NNC(=O)NC(C)C 1327817276 UWMJLRXANFOATQ-UHFFFAOYSA-N 240.267 -0.350 50 20 BBGD CCn1cc(CC(=O)NNC(=O)NC)cn1 1343146490 NCKJKIMTGMHGGC-UHFFFAOYSA-N 225.252 -0.594 50 20 BBGD CCO[C@@H](C)C(=O)N1CC[C@@H](B(O)O)C1 1348490588 TYHAOFIQTKSNGL-JGVFFNPUSA-N 215.058 -0.513 50 20 BBGD COCC[C@@H](N)C(=O)NNC(=O)C1CCC1 1574082695 YZXWEOJPPISPBJ-MRVPVSSYSA-N 229.280 -0.702 50 20 BBGD CC(=O)NNc1ccccc1S(N)(=O)=O 13612961 NGNPYNHOTNXXJP-UHFFFAOYSA-N 229.261 -0.203 50 20 BBGD in-vivo CCNc1nc(C(=O)NNC(=O)CO)cs1 182754868 OEPYWCMOXQEEMP-UHFFFAOYSA-N 244.276 -0.672 50 20 BBGD CN(C)CC(=O)c1ccccc1B(O)O 238291328 QEDGPXQLZANNTI-UHFFFAOYSA-N 207.038 -0.889 50 20 BBGD COC(=O)N(C)NC(=O)C1CC(=O)C1 286491906 WADCHYIIBVASRP-UHFFFAOYSA-N 200.194 -0.305 50 20 BBGD O=C(CN1CCCCC1=O)NNc1ncccn1 299233181 FMRYERZDMLHOSK-UHFFFAOYSA-N 249.274 -0.068 50 20 BBGD COC[C@H](NCc1cccc(B(O)O)c1)C1CC1 585029513 GJDJUXMUWNFLGW-ZDUSSCGKSA-N 249.119 -0.119 50 20 BBGD OB(O)c1ccc(CNC[C@H]2CC2(F)F)o1 585047791 GVVRAEVKOXRKND-ZCFIWIBFSA-N 231.007 -0.296 50 20 BBGD COCC(=O)NNC(=O)Nc1cc(C)on1 761862262 SAPOQSYSTJQEFC-UHFFFAOYSA-N 228.208 -0.218 50 20 BBGD CNC(=O)NN=C(C)C[C@@H]1CCC(=O)N1 811640455 SDJSALNCSYAHEH-ZETCQYMHSA-N 212.253 -0.040 50 20 BBGD CNC(=S)N(C)NC(=O)c1[nH]cnc1C 823559215 TYKJRZBXNWKSTP-UHFFFAOYSA-N 227.293 -0.201 50 20 BBGD C=C(CN(C)C)C(=O)NN(C)CCOC 837624940 BQPLBCCAULGFSR-UHFFFAOYSA-N 215.297 -0.286 50 20 BBGD O=C(NNC(=O)C1(O)CCC1)c1cn[nH]c1 862471225 WGBWJFYMWOCCOS-UHFFFAOYSA-N 224.220 -0.914 50 20 BBGD CCNC(=O)N(C)NC(=O)C(=O)NCC1CC1 1116736310 QNLDPAZTLBKTJJ-UHFFFAOYSA-N 242.279 -0.795 50 20 BBGD CCO/C=C(/C#N)C(=O)N[C@@H](C)C(N)=O 1320554976 LEVBHBQLGLKVDQ-ZHURGCMGSA-N 211.221 -0.580 50 20 BBGD CC(C)NC(=S)NNC(=O)C(C)(C)C(N)=O 1320799980 LGDMXVUVSSPGKQ-UHFFFAOYSA-N 246.336 -0.598 50 20 BBGD O=C(CCCn1cncn1)NNc1cccnn1 1332080757 BHFROMFPIUJXPE-UHFFFAOYSA-N 247.262 -0.008 50 20 BBGD C=C[C@@H](O)C(=O)NNC(=O)C1CCOCC1 1334331826 WWLKMXGAFCTFHI-MRVPVSSYSA-N 228.248 -0.893 50 20 BBGD CC(=NNC(=O)NCC(=O)O)c1cnc[nH]1 1589012472 MBWUJCLOMRTSDX-UHFFFAOYSA-N 225.208 -0.483 50 20 BBGD CCO[C@@H](C)C(=O)NNC(=O)c1cnn(C)c1 117680604 MMJJRALUGWVFCP-ZETCQYMHSA-N 240.263 -0.394 50 20 BBGD NC(=O)C(=O)NN=Cc1ccc([N+](=O)[O-])cc1 254827302 PPQZKTSOLRHNFU-UHFFFAOYSA-N 236.187 -0.470 50 20 BBGD CN(C)CC(=O)NNC(=O)[C@@H](F)C(F)(F)F 290603376 XWYWJZYUPULUKF-RXMQYKEDSA-N 245.176 -0.404 50 20 BBGD COC(=O)N(C)NC(=O)c1csnn1 495759729 DCNZAFMGBRKOJR-UHFFFAOYSA-N 216.222 -0.119 50 20 BBGD OC[C@H](CNCc1ccccc1B(O)O)C1CC1 585042109 ZQQLLUOBHJDAJT-LBPRGKRZSA-N 249.119 -0.526 50 20 BBGD O=C(NCB(O)O)c1ccc2c(n1)CCCC2 585063055 RMYWISFHNXSCGU-UHFFFAOYSA-N 234.064 -0.298 50 20 BBGD NC(=O)C(=O)NN=Cc1cccc(F)c1F 730722231 OXSIRXOZTYVOJI-UHFFFAOYSA-N 227.170 -0.100 50 20 BBGD CC(C)NC(=O)C(=O)NNC(=O)[C@@H](C)C1CC1 747905540 DWVHAAKTOWPQSO-ZETCQYMHSA-N 241.291 -0.296 50 20 BBGD CC[C@H]1C[C@@H](CC(=O)NNC(=O)CO)CCO1 753443796 AUSISUJXBYPBEZ-IUCAKERBSA-N 244.291 -0.279 50 20 BBGD C[C@@H]1CC[C@@H](C(=O)NNC(=O)CO)C1 753443818 CEEKCCAPTAPBKK-RNFRBKRXSA-N 200.238 -0.438 50 20 BBGD CC1(C(=O)NNC(=O)N2CCOCC2)CC1 760475436 VAYSRAJDPQGRHM-UHFFFAOYSA-N 227.264 -0.141 50 20 BBGD COC1(C=NNC(N)=O)CCOCC1 761724030 MSIVEHBETWHXRV-UHFFFAOYSA-N 201.226 -0.164 50 20 BBGD CC(C)(C(N)=O)C(=O)NNC(=O)C1CCC1 767915724 HRSABVVZFGOOPD-UHFFFAOYSA-N 227.264 -0.555 50 20 BBGD COC(=O)c1cc(C=NNC(=O)CO)oc1C 776780484 JUSWNNQPGFCGKD-UHFFFAOYSA-N 240.215 -0.183 50 20 BBGD CN(NC(=O)[C@@H]1CCc2nccn2C1)C(N)=O 787199528 TZFYWBMLQCRZEI-SSDOTTSWSA-N 237.263 -0.513 50 20 BBGD CCN1C[C@H](C(=O)NN(C)C2CC2)CC1=O 819645192 ARGGBHOHRIDCNF-MRVPVSSYSA-N 225.292 -0.020 50 20 BBGD CCc1cc(C(=O)NN(C)[C@@H](C)CO)n(C)n1 823903058 YDMIPSGMHRKSLE-QMMMGPOBSA-N 240.307 -0.060 50 20 BBGD Cc1cc(CC(=O)NNC(=O)C(C)(C)O)on1 845991790 DJOVDWHENPQCET-UHFFFAOYSA-N 241.247 -0.556 50 20 BBGD CCOC(=O)NNC(=O)[C@@H](CC)NC(C)=O 864430006 KCWONMAMOPWLLG-SSDOTTSWSA-N 231.252 -0.322 50 20 BBGD O=C1CC[C@@H](C(=O)NN=Cc2cnsc2)N1 872392538 ODOVTKZIBJFWLI-ZETCQYMHSA-N 238.272 -0.128 50 20 BBGD Cc1conc1C(=O)NNC(=O)CN(C)C 878681450 RDNQSOBSYSUJLG-UHFFFAOYSA-N 226.236 -0.694 50 20 BBGD C/C(Cl)=C/C(=O)NNC(=O)[C@H]1CCC(=O)N1 912978111 PQDVESYAOVFPOB-WWVFMHICSA-N 245.666 -0.445 50 20 BBGD C=CCNC(=S)NNC(=O)[C@@H](C)NC(C)=O 913435556 APOCCTPAYBYARN-ZCFIWIBFSA-N 244.320 -0.808 50 20 BBGD O=C(NNC(=O)c1ccccn1)c1cn[nH]c1 916093740 WYQLRNYWZGSPMQ-UHFFFAOYSA-N 231.215 -0.121 50 20 BBGD CCCNC(=O)NNC(=O)[C@H]1CCC(=O)NC1 921038348 UZTRAUZUQITGEP-ZETCQYMHSA-N 242.279 -0.747 50 20 BBGD CC(C)N1CCC[C@H]1C(=O)NN(C)C(N)=O 935178783 YPQDRIMWMDYVLY-QMMMGPOBSA-N 228.296 -0.099 50 20 BBGD CCC(=O)NNC(=O)C(=O)NC(C)C 1115817085 OJQNEDJETHXZKR-UHFFFAOYSA-N 201.226 -0.932 50 20 BBGD CN(C)C(=O)CCCC(=O)NN(C)C(N)=O 1116492410 LYIAZFMTNGMPNX-UHFFFAOYSA-N 230.268 -0.713 50 20 BBGD CNC(=O)NNC(=O)c1ccc(F)cn1 1320334864 VUEPFKQGYZNUHR-UHFFFAOYSA-N 212.184 -0.206 50 20 BBGD Cn1nncc1NNC(=O)[C@@H]1C[C@H]2CC[C@H]1O2 1328638514 YXPDDENABOGCGO-BWZBUEFSSA-N 237.263 -0.174 50 20 BBGD Cn1ccc(C(=O)N2CC[C@H](B(O)O)C2)n1 1330261932 IZMXEXHMIIKYHQ-ZETCQYMHSA-N 223.041 -0.891 50 20 BBGD N#C/C=C/Cn1c(O)ncc(-c2nn[nH]n2)c1=O 1592671664 MHOQRQGSNHWIFS-OWOJBTEDSA-N 245.202 -0.791 50 20 BBGD CO[C@H](C(=O)O)C(=O)NCCCSC#N 1593907587 HWSSMPIIWNTDJI-LURJTMIESA-N 232.261 -0.193 50 20 BBGD C[C@H](CO)N(C)NC(=O)c1ccc(C(=O)O)[nH]1 1604202535 LQUBWBWPWNYFCD-ZCFIWIBFSA-N 241.247 -0.330 50 20 BBGD CO[C@@H](C)C(=O)NNC(=O)c1cccnc1 55152340 OAOSAZQNLNDLKS-ZETCQYMHSA-N 223.232 -0.123 50 20 BBGD CN(C)CC(=O)NNC(=O)[C@@H]1CCCOC1 113425946 CZDVMUWXEWAOPO-MRVPVSSYSA-N 229.280 -0.878 50 20 BBGD COC(=O)[C@H]1C[C@H]1C(=O)NNC(=O)C1CC1 263830642 AUNRLKVGXHLKST-RQJHMYQMSA-N 226.232 -0.647 50 20 BBGD CCn1cc(C#N)c(=O)n(C/C=C/C#N)c1=O 268646942 SYMJMMQXBCDGSI-ONEGZZNKSA-N 230.227 -0.019 50 20 BBGD COC(=O)N(C)NC(=O)C(C)(C)CO 496240097 SKHHSWAOEMREID-UHFFFAOYSA-N 204.226 -0.266 50 20 BBGD CCn1nncc1C(=O)NN(C)C(=O)OC 496491651 OHLMPABUUPJVAY-UHFFFAOYSA-N 227.224 -0.359 50 20 BBGD OB(O)c1cccc(CNCC2(O)CCC2)c1 585024496 YNMAZFRRVNUTLT-UHFFFAOYSA-N 235.092 -0.629 50 20 BBGD CCC1(S(=O)(=O)N2CC[C@H](B(O)O)C2)CC1 585057088 KLPATAPFGUOBKF-QMMMGPOBSA-N 247.125 -0.193 50 20 BBGD C[C@@H](C(=O)NNc1ncccn1)N(C)C 750016145 KXDLMNYGGHZZIY-ZETCQYMHSA-N 209.253 -0.130 50 20 BBGD Cn1ccc(C(=O)NNC(=O)c2cnn(C)c2)c1 763397859 DTKAKTOAKCYFSV-UHFFFAOYSA-N 247.258 -0.167 50 20 BBGD CNC(=O)NNC(=O)[C@H]1CCO[C@@H]1C 770706409 PUCOSFBWTMTFDR-RITPCOANSA-N 201.226 -0.628 50 20 BBGD CC[C@H]1CC[C@H](C(=O)NN(C)C(N)=O)O1 778416884 KHDUDPIGDVMYJP-NKWVEPMBSA-N 215.253 -0.014 50 20 BBGD COCCN(C)NC(=O)c1coc(C(N)=O)c1 808073396 KDTAKPMOMMDEHL-UHFFFAOYSA-N 241.247 -0.399 50 20 BBGD CCc1nn(C)c(OC)c1C=NNC(N)=O 814686356 BKFUNJOHDZLWLR-UHFFFAOYSA-N 225.252 -0.007 50 20 BBGD O=C(NOCC1CCC1)c1cccc(B(O)O)c1 863885241 HGXPXFKGYASEFX-UHFFFAOYSA-N 249.075 -0.172 50 20 BBGD C[C@H](NCc1cccc(B(O)O)c1)C(C)(C)O 863888663 JCYJICMUWCYROS-VIFPVBQESA-N 237.108 -0.385 50 20 BBGD O=C(N[C@H]1CCC[C@@H]1O)c1cccc(B(O)O)c1 871114396 ZCGQWVZTFJLYGV-QWRGUYRKSA-N 249.075 -0.990 50 20 BBGD COCCN(C)NC(=O)[C@@H]1[C@H]2CCC(=O)[C@@H]21 908115576 QMDVHYMOIQEPCP-FXBDTBDDSA-N 226.276 -0.179 50 20 BBGD CNC(=O)NNC(=O)c1ccnn1CC(F)F 1116843351 DZRZRWFSIGZKJT-UHFFFAOYSA-N 247.205 -0.278 50 20 BBGD C[C@H](CO)N(C)NC(=O)[C@]1(F)CCOC1 1119105865 XQJCELNCNGIKSO-APPZFPTMSA-N 220.244 -0.541 50 20 BBGD COc1ccc(C=NNC(=O)C(N)=O)s1 1319166054 RMVWHNMCFBHEMK-UHFFFAOYSA-N 227.245 -0.308 50 20 BBGD CN(NC(=O)CCc1cnccn1)C(N)=O 1321046089 DMEVAIDGJIBQHV-UHFFFAOYSA-N 223.236 -0.549 50 20 BBGD O=C(C[C@@H]1CC(=O)N1)NNC(=O)c1ccccn1 1327718180 HAMMTXLXPSHTJU-ZETCQYMHSA-N 248.242 -0.879 50 20 BBGD O=S(=O)(CCl)N1CC[C@H](B(O)O)C1 1331897673 YLWXCFAHKSDWBX-YFKPBYRVSA-N 227.478 -0.939 50 20 BBGD O=C(Cc1cccnc1)N1CC[C@@H](B(O)O)C1 1348489804 DAEKLSYCQSZAAQ-SNVBAGLBSA-N 234.064 -0.301 50 20 BBGD N#CCC1(CNC(=O)NNC(=O)C(=O)O)CC1 1601062415 QMHVORSPUYNPLA-UHFFFAOYSA-N 240.219 -0.905 50 20 BBGD Cn1cc(C(=O)NNC(=O)c2ccccn2)cn1 7909926 QSUQLMUZZBFXMD-UHFFFAOYSA-N 245.242 -0.110 50 20 BBGD CN(NC(=O)Cc1ccc(O)cc1)C(N)=O 181075512 BUMCXRHBRVKACA-UHFFFAOYSA-N 223.232 -0.024 50 20 BBGD CN(C)C(=O)COc1ccccc1C(=O)NN 270235705 PQGMXILVZNMZCE-UHFFFAOYSA-N 237.259 -0.243 50 20 BBGD COC(=O)[C@H]1CC[C@H]1C(=O)NN(C)C(=O)OC 286549745 ZDSBHTLELIDILJ-RQJHMYQMSA-N 244.247 -0.085 50 20 BBGD CCOC(=O)N1CCC(C(=O)NN)CC1 495799637 HTWJASJKDJSCBW-UHFFFAOYSA-N 215.253 -0.155 50 20 BBGD O=C(N[C@H]1C=CCC1)c1ccc(B(O)O)c(F)c1 585005517 BQMBBQMDVMHVGF-VIFPVBQESA-N 249.050 -0.046 50 20 BBGD COc1ccc([C@@H](C)C(=O)NCB(O)O)cc1 585060730 XILIIFKEMSRPOD-MRVPVSSYSA-N 237.064 -0.073 50 20 BBGD CN(C)C(=O)NNC(=O)[C@H]1C[C@H]2CC[C@H]1O2 733776563 LSBKUVLRNDZQPK-GJMOJQLCSA-N 227.264 -0.144 50 20 BBGD O=C(Cc1ccncc1)NNC(=O)[C@H]1CCCO1 747322810 NWFWXXBOWLBRMS-SNVBAGLBSA-N 249.270 -0.050 50 20 BBGD CCN(CCO)NC(=O)Cc1cc(C)[nH]n1 823865349 OERDJFOQNVULTB-UHFFFAOYSA-N 226.280 -0.394 50 20 BBGD CCN(CCO)NC(=O)Cc1nnc(C)s1 823889141 JQHMBSCYXDNYKA-UHFFFAOYSA-N 244.320 -0.266 50 20 BBGD COCC(=O)NNC(=O)[C@@H]1CCO[C@H]1C 843643110 LGMUVSBYHQNJRW-NKWVEPMBSA-N 216.237 -0.795 50 20 BBGD CNC(=S)N(C)NC(=O)[C@@H](O)C1CC1 854920704 HJBVNPOPXJCHKW-LURJTMIESA-N 217.294 -0.775 50 20 BBGD CNC(=S)N(C)NC(=O)[C@@H](C)n1cncn1 854922558 CGXHTOLNLBQFNW-ZCFIWIBFSA-N 242.308 -0.694 50 20 BBGD C=C(CO)C(=O)NNC(=O)CC(F)(F)F 855000349 GVNLRAFMDYVZKQ-UHFFFAOYSA-N 226.154 -0.365 50 20 BBGD CO[C@H](C(=O)NNc1cnnn1C)C(C)C 857274079 YYRXDQBRVNBQIR-QMMMGPOBSA-N 227.268 -0.071 50 20 BBGD C=CC(=O)N(C)CC(=O)NN(C)CCOC 861656892 DXMFWCKWCRCFJS-UHFFFAOYSA-N 229.280 -0.760 50 20 BBGD CC(C)CC(=O)NNC(=O)[C@H]1CCCNC1=O 864724192 GCGZOFJGVSHXJJ-QMMMGPOBSA-N 241.291 -0.294 50 20 BBGD C#CCSCC(=O)NNC(=O)CN(C)C 896128159 HBLMIMSULSPHLB-UHFFFAOYSA-N 229.305 -0.938 50 20 BBGD CCNC(=O)N(C)NC(=O)[C@]1(C(=O)O)C[C@H]1C 901614921 PPSDRVISVGPYDG-LDWIPMOCSA-N 243.263 -0.210 50 20 BBGD C[C@@H](O)CN(C)NC(=O)c1cncc(O)c1 910150126 NYOOPRCBKXCYCH-SSDOTTSWSA-N 225.248 -0.255 50 20 BBGD COCC(=O)NNC(=S)N[C@@H](C)COC 913514875 UARHYGOPTDCFMY-LURJTMIESA-N 235.309 -0.837 50 20 BBGD Cc1cc(C=NNC(=O)C(N)=O)sn1 1320739507 HHDCGHIQIHBTSN-UHFFFAOYSA-N 212.234 -0.613 50 20 BBGD CNC(=O)NNC(=O)CCc1cnc[nH]1 1321202261 ITDWKUPTPWZKLS-UHFFFAOYSA-N 211.225 -0.698 50 20 BBGD CCNC(=O)NNC(=O)[C@@]1(F)CCOC1 1326053671 LWVYQHUUHYWWBP-MRVPVSSYSA-N 219.216 -0.535 50 20 BBGD O=C(NNc1ncccn1)c1ncc[nH]1 1331167125 VNDZSCGOYHSQOQ-UHFFFAOYSA-N 204.193 -0.043 50 20 BBGD Cn1ccc(CC(=O)NNc2ncccn2)n1 1332465056 NNCWPCKVIAADKF-UHFFFAOYSA-N 232.247 -0.104 50 20 BBGD CNC(=S)N(C)NC(=O)[C@@]1(F)CCOC1 1334439364 FTAGSLBILWYKOU-MRVPVSSYSA-N 235.284 -0.418 50 20 BBGD C[C@@H](CO)N(C)NC(=O)[C@@H]1CC[C@@H]1C(=O)O 1589072770 CVBUPSBETFYSNP-RNJXMRFFSA-N 230.264 -0.559 50 20 BBGD O=C(NN[C@H](C(=O)O)C1CC1)c1cnccn1 1601557856 XHZLBYCZORFSHG-QMMMGPOBSA-N 236.231 -0.426 50 20 BBGD O=C(Cc1ccncc1)NNC(=O)c1cc[nH]n1 81027606 YJMXCPPWFYVGDS-UHFFFAOYSA-N 245.242 -0.192 50 20 BBGD O=C(CO)NNC(=O)c1ccc(F)cc1F 180945230 KYOCNBLCXHYKCV-UHFFFAOYSA-N 230.170 -0.282 50 20 BBGD O=C(CO)NNC(=O)C[C@H]1CCCCO1 182769615 LFKWWFHUZARQFZ-SSDOTTSWSA-N 216.237 -0.915 50 20 BBGD COC(=O)[C@H](C)NCc1cccc(B(O)O)c1 205194012 LSNMMDJXJGJJNC-QMMMGPOBSA-N 237.064 -0.983 50 20 BBGD COC(=O)N(C)NC(=O)[C@@H]1CCOC1 286173640 BYQRXMQAUDWMIG-ZCFIWIBFSA-N 202.210 -0.248 50 20 BBGD CCC[C@H](O)C(=O)NN(C)[C@H](C)CO 823384033 ABRGQWTUOOQUKP-SFYZADRCSA-N 204.270 -0.509 50 20 BBGD CCN(CCO)NC(=O)[C@H](CC(C)C)C(N)=O 823889295 QAYHWPGPYVHRJZ-SECBINFHSA-N 245.323 -0.521 50 20 BBGD CCOCC(=O)NNC(=O)N[C@H](C)C[C@H](C)N 831212156 MCWLZCQVFLLYKV-JGVFFNPUSA-N 246.311 -0.521 50 20 BBGD CNC(=S)N(C)NC(=O)c1cnn(C)c1 854928431 YVKJWMGUFBZHSY-UHFFFAOYSA-N 227.293 -0.499 50 20 BBGD O=C1N[C@H](C(=O)NNC(=O)C2CC2)CCO1 858122543 WXWGEDQDRFONRY-LURJTMIESA-N 227.220 -0.958 50 20 BBGD C[C@H]1C[C@H]1C=NNC(=O)CS(C)(=O)=O 863187330 HSTPLVPZPSOGJO-BQBZGAKWSA-N 218.278 -0.211 50 20 BBGD C#CCCCC(=O)NNC(=O)[C@@H](CC)CO 887146898 PADMYXFKKRSHOQ-VIFPVBQESA-N 226.276 -0.044 50 20 BBGD C[C@H](O)CN(C)NC(=O)COC(F)F 910156844 NBFSRBJMZBXQEE-YFKPBYRVSA-N 212.196 -0.431 50 20 BBGD CN1C[C@@H](NC(=O)NNc2ccccn2)CC1=O 1122450575 VYUCGWZLKREWDV-QMMMGPOBSA-N 249.274 -0.062 50 20 BBGD CCNC(=O)NNC(=O)C(=O)c1cccn1C 1261217011 UOZRLKFROKPWQZ-UHFFFAOYSA-N 238.247 -0.442 50 20 BBGD C[C@H]1CN(C2CC2)CC1=NNC(=O)CCO 1319126909 MHUGIAKYIQVTSQ-QMMMGPOBSA-N 225.292 -0.045 50 20 BBGD CCn1nccc1C(=O)NNC(=O)N(C)C 1320532422 TVVHVCAEKUEMKT-UHFFFAOYSA-N 225.252 -0.181 50 20 BBGD CN(NC(=O)c1cnc(Cl)cn1)C(N)=O 1321102370 ZMQUKRGHDKLOPN-UHFFFAOYSA-N 229.627 -0.215 50 20 BBGD CC(=O)NNC(=O)CCN1CCCC1=O 1321193433 NOVKXPVOTFVVKU-UHFFFAOYSA-N 213.237 -0.834 50 20 BBGD CCNC(=O)NNC(=S)NC[C@@H]1CCOC1 1322871028 BEKUOYMIFICKIB-ZETCQYMHSA-N 246.336 -0.279 50 20 BBGD CN(C)C1(C(=O)NNc2cnnn2C)CC1 1329286311 BKPLVARCICJKEY-UHFFFAOYSA-N 224.268 -0.648 50 20 BBGD CCC(=O)NNC(=O)[C@H](C)SCC(=O)NC 1344574258 BTULGFOVKHDSOK-LURJTMIESA-N 247.320 -0.589 50 20 BBGD C[C@]1(C(=O)NNC(=O)CC2CC2)C[C@@H](O)CN1 1573600445 DWZPQVKUFRKLNU-LDYMZIIASA-N 241.291 -0.953 50 20 BBGD NOCCCNC(=O)NNC(=O)c1ccc[nH]1 1580359714 JAZXXNIWAQBMLG-UHFFFAOYSA-N 241.251 -0.761 50 20 BBGD O=C(O)CNC(=O)NN=CC1(F)CC1 1602071267 KXUOVYOLMUKDLH-UHFFFAOYSA-N 203.173 -0.142 50 20 BBGD C=CCNC(=S)NNC(=O)[C@@H]1CCCO1 41960683 GSQRJVYMYSXLMT-ZETCQYMHSA-N 229.305 -0.153 50 20 BBGD C[C@H]1CC[C@H](CCC(=O)NNC(=O)CO)O1 182770042 GHIVIVJOYYGYGV-JGVFFNPUSA-N 230.264 -0.526 50 20 BBGD CC(C)C(=O)NNC(=O)CNCC(F)(F)F 381192849 ZDFFYQBNHBKINL-UHFFFAOYSA-N 241.213 -0.058 50 20 BBGD CCn1cc(CC(=O)NNC(=O)OC)cn1 495507725 FRMMTZTWSIFPQR-UHFFFAOYSA-N 226.236 -0.167 50 20 BBGD COC(=O)N(C)NS(=O)(=O)c1cccnc1 496543093 PSELUQNNORNNTA-UHFFFAOYSA-N 245.260 -0.027 50 20 BBGD COCC1(NC(=O)c2ccc(B(O)O)cc2)CC1 584962502 HOXHUQXXQAPJTN-UHFFFAOYSA-N 249.075 -0.725 50 20 BBGD C[C@@]1(CNCc2cccc(B(O)O)c2)CCOC1 585023101 GDBXFIOBPFFTTJ-ZDUSSCGKSA-N 249.119 -0.117 50 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CO[C@H](C(=O)NCB(O)O)c1ccc(F)cc1 585062401 ICXBHHGIFXZETF-VIFPVBQESA-N 241.027 -0.359 50 20 BBGD CSCC[C@H](O)C(=O)NNC(=O)C1CC1 765459850 DHHOWUZFOWDEDG-ZETCQYMHSA-N 232.305 -0.342 50 20 BBGD C[C@H]1C[C@@H](C(=O)NNC(=O)C(C)(C)O)CCO1 768258993 CJKFDBVCCIWYMM-YUMQZZPRSA-N 244.291 -0.280 50 20 BBGD CN(NC(=O)[C@H]1CCc2nccn2C1)C(N)=O 787199533 TZFYWBMLQCRZEI-ZETCQYMHSA-N 237.263 -0.513 50 20 BBGD COC[C@H](O)CNC(=O)NNC(=O)C(C)(C)C 801750487 WAXNCJLUDGGSGT-SSDOTTSWSA-N 247.295 -0.630 50 20 BBGD O=C(NNc1cnccn1)[C@H]1C[C@@H](O)C1 822062268 KFJVWUMWSZVQJA-KNVOCYPGSA-N 208.221 -0.309 50 20 BBGD Cc1ocnc1C(=O)NN(C)[C@@H](C)CO 823965662 RHRUAWDCTMGXGZ-LURJTMIESA-N 213.237 -0.060 50 20 BBGD C#C[C@H](CC)NC(=O)NNC(=O)COCC 854073137 QYHIVOSBDLTWNE-MRVPVSSYSA-N 227.264 -0.235 50 20 BBGD C#C[C@@H](CCC)NC(=O)c1ccc(B(O)O)cc1 863879778 ATSGVHJZJHVGJU-LBPRGKRZSA-N 245.087 -0.102 50 20 BBGD CC[C@@H](O)[C@@H](C)C(=O)NNC(=O)N(C)C 900428056 RORFYZXWBVISHI-RNFRBKRXSA-N 217.269 -0.304 50 20 BBGD COc1ccc(C=NNC(=O)C(N)=O)cc1C#N 1116121712 TVOJTEBNARBCAH-UHFFFAOYSA-N 246.226 -0.498 50 20 BBGD CCn1cc(NC(=O)NNC(=O)CCO)cn1 1116617013 URKPXWBXXQVXNU-UHFFFAOYSA-N 241.251 -0.562 50 20 BBGD CC(C)NC(=O)C(=O)NNC(=O)CCCF 1118545344 JLWJDLHVPOLCHZ-UHFFFAOYSA-N 233.243 -0.592 50 20 BBGD CCOCC(=O)NNC(=O)NC[C@@H]1CCOC1 1251719992 DMKKSTNIIQMPHH-QMMMGPOBSA-N 245.279 -0.610 50 20 BBGD COC(=O)C(=O)NNC(=O)NC[C@@H]1CC1(C)C 1318882283 KXGNIJZFDLMKPQ-LURJTMIESA-N 243.263 -0.464 50 20 BBGD COC(=O)C(=O)NNC(=O)N[C@@H]1CC=CCC1 1318942006 MGBQJADKMKNINP-SSDOTTSWSA-N 241.247 -0.402 50 20 BBGD C[C@H](CC(N)=O)C(=O)NNc1ncncc1F 1330458150 BFULSCHODJYDDR-RXMQYKEDSA-N 241.226 -0.430 50 20 BBGD NC(=O)c1cnccc1N1CC[C@H](B(O)O)C1 1335434801 WUADJPACIQQMNF-ZETCQYMHSA-N 235.052 -0.766 50 20 BBGD CCNC(=O)CCCC(=O)NNC(C)=O 1338020142 LLQMFTCTLBJWMI-UHFFFAOYSA-N 215.253 -0.540 50 20 BBGD CNC(=O)NNC(=O)Cc1cscn1 1350605293 IKZZSUUOVHNYJB-UHFFFAOYSA-N 214.250 -0.354 50 20 BBGD CCNC(=O)NNC(=O)C1(C(=O)O)CCC1 1589909208 OVXLRCPOIFLHFX-UHFFFAOYSA-N 229.236 -0.408 50 20 BBGD C[C@H](NC(=O)NNC(=O)C(=O)O)C1CCC1 1593101770 KMVDQJNIBHHSRU-YFKPBYRVSA-N 229.236 -0.410 50 20 BBGD CS(=O)(=O)NCCCNC(=O)CCl 218342351 JAQNMPWLJWULGR-UHFFFAOYSA-N 228.701 -0.719 50 20 BBGD CCOC(=O)C(C)(C)C(=O)NNC(=O)N(C)C 270813517 YELWYGOVWLSCCU-UHFFFAOYSA-N 245.279 -0.122 50 20 BBGD COCCN(C)NC(=O)c1ccc(OC)nn1 288485861 SIQQJPPGOSIPIF-UHFFFAOYSA-N 240.263 -0.292 50 20 BBGD CNC(=O)NCCC(=O)NN(C)C(=O)OC 293559164 FVJXTRSTFSBQJV-UHFFFAOYSA-N 232.240 -0.965 50 20 BBGD O=C(O)C[C@@H]1C(=O)NCCN1C(=O)CCl 389366998 VOFYNKAAZQQJNA-RXMQYKEDSA-N 234.639 -0.973 50 20 BBGD OB(O)c1cccc(CNCCC2CC(O)C2)c1 585038442 FHVSMQMKRCJTCN-UHFFFAOYSA-N 249.119 -0.383 50 20 BBGD Cn1cc(C(=O)NN=Cc2ccnn2C)cn1 735411276 UVKIBUJCDAWRRU-UHFFFAOYSA-N 232.247 -0.083 50 20 BBGD CCC(=O)NNC(=O)[C@@H](C)SCC(=O)O 736846033 AZXNBQIJAQUCPX-RXMQYKEDSA-N 234.277 -0.250 50 20 BBGD O=C(NNC(=O)[C@@H]1C[C@@H]1C(=O)O)c1ccccn1 739455219 XMKWXSAQOQFSPH-RQJHMYQMSA-N 249.226 -0.437 50 20 BBGD O=C(O)NCCC(=O)NNC(=O)C1CCCC1 739938372 SBGXABSDGMAWSW-UHFFFAOYSA-N 243.263 -0.018 50 20 BBGD N#Cc1ccc(C(=O)NNC(=O)CO)s1 753451123 AIJAMMXUIRESJZ-UHFFFAOYSA-N 225.229 -0.627 50 20 BBGD CCOC(=O)C(C)(C)C(=O)NNC(=O)NC 762959923 IDWAOHJZRJPVJH-UHFFFAOYSA-N 231.252 -0.464 50 20 BBGD CC(C)(C(N)=O)C(=O)NNC(=O)NCC1CC1 767722060 JUGQDRPGAYIEGY-UHFFFAOYSA-N 242.279 -0.762 50 20 BBGD O=C(Cc1cc[nH]n1)NNC(=O)C1(O)CCC1 772871037 ZHZHUCCYWYMRQH-UHFFFAOYSA-N 238.247 -0.985 50 20 BBGD CC[C@H](CO)C(=O)NNC(=O)c1ccccn1 779576733 VTJMIJVQQNANLS-MRVPVSSYSA-N 237.259 -0.139 50 20 BBGD CCNC(=O)N(C)NC(=O)[C@H]1CCC(=O)NC1 780706373 NTTRIBBMSYKMOE-ZETCQYMHSA-N 242.279 -0.795 50 20 BBGD CCOCCCC(=O)NNC(=O)C(C)(C)O 787949830 IHWSPBCORUVFST-UHFFFAOYSA-N 232.280 -0.279 50 20 BBGD O=C(CC1OCCO1)NNC(=O)C1CCC1 789976341 IQRKDOUGEHUGIC-UHFFFAOYSA-N 228.248 -0.303 50 20 BBGD C[C@@H](CO)N(C)NC(=O)[C@@H]1CCCOC1 823959544 KXADEFMNIISGBB-DTWKUNHWSA-N 216.281 -0.243 50 20 BBGD CC[C@H](C(=O)NN(C)C(=S)NC)N(C)C 854923253 OLWBCUMJBDEWKN-SSDOTTSWSA-N 232.353 -0.206 50 20 BBGD CNC(=S)N(C)NC(=O)[C@@H](C)n1cccn1 854926424 ZJSDWYLCSILKHP-SSDOTTSWSA-N 241.320 -0.089 50 20 BBGD C=C[C@@](C)(O)CC(=O)NNc1cnnn1C 1118828526 ZVNXHRBHLWSNBK-SECBINFHSA-N 225.252 -0.415 50 20 BBGD CN(NC(=O)c1cc(C#N)c[nH]1)C(N)=O 1254278604 CLTFZLWWJWGJFQ-UHFFFAOYSA-N 207.193 -0.458 50 20 BBGD CC(C)(C)C(=O)NNC(=O)CS(C)(=O)=O 1318035029 WEFGAXJRDDBJHH-UHFFFAOYSA-N 236.293 -0.776 50 20 BBGD CN(NC(=O)c1cnc2c(cnn2C)c1)C(N)=O 1337366082 OZEITNIUKVOGQZ-UHFFFAOYSA-N 248.246 -0.376 50 20 BBGD CC(C)C(=O)NNC(=O)[C@H]1[C@@H](CN)C1(F)F 1575397607 BJOAEXNTWSXANS-PHDIDXHHSA-N 235.234 -0.370 50 20 BBGD C[C@@H](C(=O)O)C(=O)NNC(=O)CC(F)(F)F 1609701115 PPIDOVRGNJDMJO-GSVOUGTGSA-N 242.153 -0.193 50 20 BBGD CCNC(=O)NNC(=S)N[C@H](C)COC 144921463 GLTRUZNCXVJOKC-ZCFIWIBFSA-N 234.325 -0.281 50 20 BBGD NC(=O)CCNS(=O)(=O)CCCCCl 162551024 ZYIRMFPPTFFXKT-UHFFFAOYSA-N 242.728 -0.200 50 20 BBGD CN(C)C/C=C/C(=O)NNC(=O)NC1CC1 265684506 WXJFDXNSDFXACI-ONEGZZNKSA-N 226.280 -0.403 50 20 BBGD C[C@H](NS(=O)(=O)c1cccs1)C(=O)NN 270263778 YKLZQFVWGCLZDX-YFKPBYRVSA-N 249.317 -0.595 50 20 BBGD CN(C)C(=O)NNC(=O)C1(C)COC1 272864153 SROBPYDFROMHCY-UHFFFAOYSA-N 201.226 -0.675 50 20 BBGD COC(=O)NNC(=O)[C@H](OC)C1CC1 280571746 MKOWZRHXTRPXBC-ZCFIWIBFSA-N 202.210 -0.201 50 20 BBGD O=C(NNc1ncccn1)[C@@]1(F)CCNC1 376720036 KCKQJFXRQWULPD-SECBINFHSA-N 225.227 -0.379 50 20 BBGD CC1CC(NC(=O)c2ccc(B(O)O)cc2)C1 584957496 OURQYXMVVGJDRF-UHFFFAOYSA-N 233.076 -0.105 50 20 BBGD CCn1cc(CNCc2ccc(B(O)O)o2)cn1 585040480 LEXPKFWUDGGZGI-UHFFFAOYSA-N 249.079 -0.534 50 20 BBGD C#CCN1CCC[C@H]1C(=O)NNC(=O)NC 732061440 IRJCEXSFFPVLBQ-QMMMGPOBSA-N 224.264 -0.956 50 20 BBGD CCNC(=O)NNC(=O)CC(=O)OCC 751372591 UPZJLMDQHFBURY-UHFFFAOYSA-N 217.225 -0.710 50 20 BBGD O=C(NNC(=O)[C@@H]1CCOC1)c1cc[nH]n1 754336223 HEVILPDCWMDRJO-ZCFIWIBFSA-N 224.220 -0.793 50 20 BBGD Cc1ccc(C(=O)NNC(=O)C(C)(C)O)nc1 768245873 VZTDZNGKDCLYOC-UHFFFAOYSA-N 237.259 -0.078 50 20 BBGD Cn1cncc1C(=O)NNC(=O)c1ccc[nH]1 809548952 QNAVFMRUHTZOST-UHFFFAOYSA-N 233.231 -0.177 50 20 BBGD CC(CCCO)=NNC(=O)C(=O)NC1CC1 814778244 WWXKFVJHQWDZGB-UHFFFAOYSA-N 227.264 -0.470 50 20 BBGD O=C(NNc1nc[nH]n1)c1ccc2nn[nH]c2c1 816633076 MIYLAKDZFRFMSN-UHFFFAOYSA-N 244.218 -0.167 50 20 BBGD COc1ccnc(C=NNC(=O)C(C)(C)O)n1 842530880 BTLGWFXNADOTRV-UHFFFAOYSA-N 238.247 -0.294 50 20 BBGD CO[C@H](C=NNC(=O)C(=O)NC1CC1)C1CC1 853282605 KMRNQZJZKHKUFQ-SECBINFHSA-N 239.275 -0.208 50 20 BBGD C[C@@H]1CC(=NNC(=O)[C@@H]2CCC(=O)N2)CCO1 863147612 KDLSGTZWIYFSJN-APPZFPTMSA-N 239.275 -0.064 50 20 BBGD CNC(=O)NNC(=O)C1(Br)CC1 874169319 LMOZDEDZMLFFRR-UHFFFAOYSA-N 236.069 -0.126 50 20 BBGD Cc1ccn2c(=O)c(C(=O)NN)cnc2c1 918208822 FRAGCXHWYOZYBT-UHFFFAOYSA-N 218.216 -0.394 50 20 BBGD NC(=O)c1ccccc1C=NNC(=O)CCO 1116737533 XDDDZNCTBBOZTH-UHFFFAOYSA-N 235.243 -0.382 50 20 BBGD Cn1cnc(C=NNC(=O)C(=O)NC2CC2)c1 1116885770 ADZVOQUDGAPFOX-UHFFFAOYSA-N 235.247 -0.851 50 20 BBGD NC(=O)[C@@H]1CC[C@H]1C(=O)NNc1ncccn1 1118369232 XWIPZAACUMHFEM-RNFRBKRXSA-N 235.247 -0.569 50 20 BBGD CO[C@@H](C)C(=O)NNc1nccn(C)c1=O 1252518623 KORXRJCTPNIBSU-LURJTMIESA-N 226.236 -0.742 50 20 BBGD CCc1nn(C)cc1C(=O)NNc1nc[nH]n1 1261245676 KMZQRNBSBKKQSN-UHFFFAOYSA-N 235.251 -0.143 50 20 BBGD CC(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C 1317744359 WERPGUDDSCCARR-MRVPVSSYSA-N 220.294 -0.501 50 20 BBGD COC(=O)C(=O)NNC(=O)N[C@@H](C)CSC 1339817674 KFBFEPNNKBNQAU-YFKPBYRVSA-N 249.292 -0.759 50 20 BBGD NC(=O)CCCC(=O)NNc1cccnn1 1344007642 YQFYYBVZZYTKEG-UHFFFAOYSA-N 223.236 -0.425 50 20 BBGD CNC(=O)NNC(=O)c1cn2cccnc2n1 48950671 PGRJFBJSDDJGHY-UHFFFAOYSA-N 234.219 -0.697 50 20 BBGD CS(=O)(=O)c1ccc(F)c(C(=O)NN)c1 75914985 YDJRBEGJGQOOPG-UHFFFAOYSA-N 232.236 -0.167 50 20 BBGD N#Cc1ccccc1OCC(=O)NNC(N)=O 78297373 YRIJTIWWAUHWFC-UHFFFAOYSA-N 234.215 -0.363 50 20 BBGD CC(=O)CC(C)(C)CC(=O)NNC(=O)CO 188433730 FIATXKOAANTTBE-UHFFFAOYSA-N 230.264 -0.479 50 20 BBGD CC[C@H](C)[C@H](NC(C)=O)C(=O)NN(C)C(N)=O 285731528 GLMJLCBDBXHOBI-XPUUQOCRSA-N 244.295 -0.421 50 20 BBGD COC(=O)N(C)NC(=O)[C@@H]1CN(C)CCO1 495760956 IQAFSPQAIMQJDG-ZETCQYMHSA-N 231.252 -0.954 50 20 BBGD COC(=O)N(C)NC(=O)c1ccn(C)c(=O)c1 495764856 ZYSYKVAAJIVFPI-UHFFFAOYSA-N 239.231 -0.272 50 20 BBGD CC(C)N(C)C(=O)N1CC[C@H](B(O)O)C1 585056683 UGVOTYOWNSVKIZ-QMMMGPOBSA-N 214.074 -0.005 50 20 BBGD CNC(=O)NNC(=O)[C@H]1CCCN1C 733870614 USKCDDMWZBOUTQ-ZCFIWIBFSA-N 200.242 -0.959 50 20 BBGD O=C(NNC(=O)[C@H]1CCCO1)c1ccnnc1 756753476 KVMJIRPVCJFBBW-MRVPVSSYSA-N 236.231 -0.583 50 20 BBGD CC(C)(O)C(=O)NNC(=O)[C@H](F)C(F)(F)F 816359811 HKOYADCIIOZPSF-VKHMYHEASA-N 246.160 -0.195 50 20 BBGD Cc1cc(C(=O)NN(C)[C@@H](C)CO)n(C)n1 823970394 GMKUIOORXZJURX-QMMMGPOBSA-N 226.280 -0.314 50 20 BBGD Cc1ccc(C(=O)NNC(=O)[C@@H]2CC(=O)N2)o1 829831661 QLQXGZOVKLPQNR-LURJTMIESA-N 237.215 -0.762 50 20 BBGD CCC(=O)NNC(=O)[C@H](C)N1CC[C@H](CN)C1 843348643 VDOLTGUVEFSRME-DTWKUNHWSA-N 242.323 -0.787 50 20 BBGD C#CCCCC(=O)NNC(=O)C=NOC 887147925 HZZAPARUJFTIFO-UHFFFAOYSA-N 211.221 -0.431 50 20 BBGD CCCNC(=O)NNC(=O)CN(C)C(C)=O 921039389 OOFAVLFEHSQGMR-UHFFFAOYSA-N 230.268 -0.795 50 20 BBGD C[C@H](Cc1cnc[nH]1)C(=O)NN(C)[C@H](C)CO 1261911196 WPOJHKOZZXRPAU-RKDXNWHRSA-N 240.307 -0.068 50 20 BBGD O=C(NNC(=O)C1CC1)c1cc(CO)on1 1331846295 PSFSKZLXHATXHJ-UHFFFAOYSA-N 225.204 -0.662 50 20 BBGD CCN1CCOC[C@H]1C(=O)NNC(=O)N(C)C 1337096661 QJCQJIDDJARNFO-QMMMGPOBSA-N 244.295 -0.991 50 20 BBGD CC(C)NC(=O)NNC(=O)CCC(=O)O 1603075291 NCXASBAPARFXHN-UHFFFAOYSA-N 217.225 -0.410 50 20 BBGD O=C(CO)NNC(=O)c1cccc(F)c1 11638904 NEBQBRXSGKZJLV-UHFFFAOYSA-N 212.180 -0.421 50 20 BBGD Cc1cc(B(O)O)n([C@@H]2CCCCO2)n1 169990714 CPFJUNLFQXGHCT-VIFPVBQESA-N 210.042 -0.430 50 20 BBGD COC(=O)NNC(=O)[C@@H](OC)C1CC1 280571744 MKOWZRHXTRPXBC-LURJTMIESA-N 202.210 -0.201 50 20 BBGD CC[C@H](Cl)C(=O)N1C[C@H]2C(=O)NC(=O)[C@@H]2C1 409429775 SVMLRNZPGHIXOW-QYNIQEEDSA-N 244.678 -0.265 50 20 BBGD C[C@@H](CF)C(=O)Nc1cccc(B(O)O)c1 584910401 BBEOIOVIXUBEIH-ZETCQYMHSA-N 225.028 -0.090 50 20 BBGD C[C@H](O)C[C@H](C)NCc1cccc(B(O)O)c1 585033753 BEQMFJOEWGNZPJ-UWVGGRQHSA-N 237.108 -0.385 50 20 BBGD C[C@@]1(C(=O)N2CC[C@@H](B(O)O)C2)CCCOC1 585064566 HTDKDXYPVCWQHW-MWLCHTKSSA-N 241.096 -0.122 50 20 BBGD COc1ncccc1C(=O)NN(C)C(N)=O 770436340 HFDDKPAWWVBGNJ-UHFFFAOYSA-N 224.220 -0.255 50 20 BBGD COC[C@](C)(O)C(=O)NNc1cnccn1 775279468 XTALRBNBVGAKPO-VIFPVBQESA-N 226.236 -0.683 50 20 BBGD Cc1cc(C)nc(NNC(=O)[C@H]2CCNC2=O)n1 820523657 PKSCOZIFZCJNDR-QMMMGPOBSA-N 249.274 -0.327 50 20 BBGD CCN(CCO)NC(=O)[C@@H]1CCO[C@@H]1C 823869156 BCWZEPAXVDNKDE-RKDXNWHRSA-N 216.281 -0.243 50 20 BBGD Cc1cc(=NNC(=O)CNC(=O)C2CC2)cc[nH]1 862510772 SOZYYSTZKIJNEC-UHFFFAOYSA-N 248.286 -0.219 50 20 BBGD COC(=O)N(C)NC(=O)NCCn1cccn1 875293443 WTRUJPLCRAKZFR-UHFFFAOYSA-N 241.251 -0.205 50 20 BBGD C[C@H]1COCC1=NNC(=O)c1ncon1 901287151 PHOXKTIKXDFEHH-YFKPBYRVSA-N 210.193 -0.178 50 20 BBGD COC(=O)CC(=O)NNc1ccncn1 908551994 XOPJUUFLUUCACH-UHFFFAOYSA-N 210.193 -0.517 50 20 BBGD C[C@H](O)CN(C)NC(=O)CN(C)C1CCC1 910149561 KWIXELQTULVJMR-VIFPVBQESA-N 229.324 -0.186 50 20 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-0.857 50 20 BBGD COC(=O)N(C)NC(=O)[C@@](C)(O)C1CC1 495639238 ZKTBKJMDFPAFEC-VIFPVBQESA-N 216.237 -0.123 50 20 BBGD C[C@H]1OC(=O)N[C@@H]1C(=O)NN(C)C1CC1 496499928 MJWREMFIDMUFIE-VDTYLAMSSA-N 213.237 -0.391 50 20 BBGD C[C@@H]1C[C@H]1C(=O)NNC(=O)c1ccnnc1 756766624 QIQDVIZHOMTZPS-HTRCEHHLSA-N 220.232 -0.106 50 20 BBGD NC(=O)C(=O)NN=Cc1c(F)ccc(O)c1F 794459005 HCBBZUXJWINELG-UHFFFAOYSA-N 243.169 -0.394 50 20 BBGD C=CCNC(=S)NNC(=O)CSCC#N 798306185 AEOMKNMTOYXYDS-UHFFFAOYSA-N 244.345 -0.076 50 20 BBGD CS(=O)(=O)CC(=O)NNc1cccc(F)n1 804772422 GRUBAQKTRXCPJA-UHFFFAOYSA-N 247.251 -0.292 50 20 BBGD COC(=O)C[C@H](C)CC(=O)NNC(C)=O 809548021 ZLRNWSBARKYEGB-ZCFIWIBFSA-N 216.237 -0.257 50 20 BBGD COC(=O)CNC(=O)NN=C1CO[C@H](C)C1 842530657 ZHGKMVGQKGKLOD-ZCFIWIBFSA-N 229.236 -0.377 50 20 BBGD O=C(O)[C@]1(NS(=O)(=O)CCl)CCOC1 849233136 WXUBQXZHTGPBRL-LURJTMIESA-N 243.668 -0.654 50 20 BBGD O=C(NNC(=O)[C@@H](O)C1CC1)c1ncccn1 854952608 NEICSPPMNBFQEE-ZETCQYMHSA-N 236.231 -0.992 50 20 BBGD Cc1nnc(C(=O)NNC(=O)CCCN)s1 857764280 OFGXWJGOPFWPMF-UHFFFAOYSA-N 243.292 -0.654 50 20 BBGD CC(C)[C@H](NC=O)C(=O)NNc1nc[nH]n1 863917026 RPKDHDHZORMJMQ-LURJTMIESA-N 226.240 -0.982 50 20 BBGD COC(=O)N(C)NC(=O)N[C@@H]1CCOC1 875416678 JSKWHTDTYIYOHY-ZCFIWIBFSA-N 217.225 -0.312 50 20 BBGD NOCCCNS(=O)(=O)CBr 903527027 QZKYIVIAXOSNPG-UHFFFAOYSA-N 247.114 -0.461 50 20 BBGD C=CC(=O)N(CC)CC(=O)NN(C)C[C@@H](C)O 910154909 GVJKTRWRIFOACA-SECBINFHSA-N 243.307 -0.635 50 20 BBGD CNC(=O)CCCCC(=O)NNC(=O)OC 1321243034 HZEZGHPRNFKWKR-UHFFFAOYSA-N 231.252 -0.320 50 20 BBGD O=C(CO[C@H]1CCOC1)NN=c1cc[nH]cc1 1325084619 ZQTXBPRTHISQEO-JTQLQIEISA-N 237.259 -0.248 50 20 BBGD CN(NC(=O)[C@H]1CCc2nncn2C1)C1CC1 1326170170 NDWIRCZFGRBWAX-QMMMGPOBSA-N 235.291 -0.034 50 20 BBGD CNC(=O)NNC(=O)c1c[nH]c(C#N)c1 1341928092 XDGMGOSVZHFUAH-UHFFFAOYSA-N 207.193 -0.540 50 20 BBGD C[C@H](CC(=O)O)CC(=O)NNC(=O)CN(C)C 1592391880 SDRDXCFGGIAVPH-ZETCQYMHSA-N 245.279 -0.804 50 20 BBGD O=C(NNC(=O)C(=O)O)N[C@H]1CC=CCC1 1610699012 ASFPDPMDWVEBDX-LURJTMIESA-N 227.220 -0.490 50 20 BBGD COC(=O)N(C)NC(=O)CCCC(N)=O 495694113 XKKXMKBHXJHCMO-UHFFFAOYSA-N 217.225 -0.629 50 20 BBGD COc1cc(N2CC[C@H](B(O)O)C2)ncn1 585078935 PUDBXFSUEOZAMN-ZETCQYMHSA-N 223.041 -0.462 50 20 BBGD CN(C)C(=O)NNC(=O)c1cccn1C 746005968 FYMHZVRMGUSJIS-UHFFFAOYSA-N 210.237 -0.059 50 20 BBGD CCCn1cc(C(=O)NNC(=O)C2CC2)nn1 766323822 XPZDUEMDQMSYAT-UHFFFAOYSA-N 237.263 -0.141 50 20 BBGD CC(C)(CO)C(=O)NNC(=O)C1CC1 776317274 CVDFRCLUYWPMKP-UHFFFAOYSA-N 200.238 -0.438 50 20 BBGD Cc1cc(NNC(=O)c2nc[nH]n2)nc(C)n1 781427885 PDEBCJCRNGMDJV-UHFFFAOYSA-N 233.235 -0.032 50 20 BBGD CCC[C@@](C)(O)C(=O)NN(C)[C@@H](C)CO 823945941 ATATYYIUGYAWDJ-WCBMZHEXSA-N 218.297 -0.119 50 20 BBGD CCOCCC=NNC(=O)CS(C)(=O)=O 863186987 TVFNXGGQSNDEOO-UHFFFAOYSA-N 236.293 -0.440 50 20 BBGD CCC1(C(=O)N2CC[C@@H](B(O)O)C2)COC1 864233457 HLKFBOWGVHWIPW-MRVPVSSYSA-N 227.069 -0.512 50 20 BBGD NC(=O)[C@@H]1C[C@@H]1C(=O)NNc1ncccc1F 908125142 AOSJXONRUOIOSQ-RITPCOANSA-N 238.222 -0.215 50 20 BBGD C[C@@H](O)CN(C)NC(=O)c1ccn(C)c1 910167258 SBELSXRBSMUNQH-MRVPVSSYSA-N 211.265 -0.018 50 20 BBGD O=C(NNC(=O)[C@@]1(F)CCOC1)c1ccc[nH]1 1117703048 SKHFJNQFRBMVAQ-SNVBAGLBSA-N 241.222 -0.096 50 20 BBGD O=C(C[C@H]1CC(=O)N1)NNc1ncc(F)cn1 1330771530 PARQIFKWKGISPX-ZCFIWIBFSA-N 239.210 -0.663 50 20 BBGD CO[C@H](C)CC(=O)NNc1cnnn1C 1331393629 PGVMKXORWDXSCQ-ZCFIWIBFSA-N 213.241 -0.317 50 20 BBGD CN(NC(=O)C(=O)c1cnn(C)c1)C1CC1 1331973164 ZFEWJMYICGKSQD-UHFFFAOYSA-N 222.248 -0.272 50 20 BBGD NNC(=O)[C@H]1CS(=O)(=O)C[C@H]1C(F)(F)F 1333336459 NBHAUVPZGKQONT-IUYQGCFVSA-N 246.210 -0.801 50 20 BBGD OB(O)c1ccc(CN[C@@H]2CCSC2)cc1 585039191 PQHRLBHZRXEVJV-LLVKDONJSA-N 237.133 -0.039 50 20 BBGD CCCCCCN(C)CC(=O)NCB(O)O 585061189 MORAZVMCTLZLCE-UHFFFAOYSA-N 230.117 -0.373 50 20 BBGD CC(C)C(=O)NNC(=O)[C@H]1CCN(C)C1 729511869 YFJOBZLKFPNMPQ-QMMMGPOBSA-N 213.281 -0.259 50 20 BBGD CNC(=O)NNC(=O)CCCC(=O)NC(C)C 732755936 ZBYKYNQCNYAHHA-UHFFFAOYSA-N 244.295 -0.359 50 20 BBGD CCC(=O)NNC(=O)[C@@H](C)SCC(=O)OC 735414548 BTNSNBKIFGVABV-ZCFIWIBFSA-N 248.304 -0.162 50 20 BBGD CC(=O)NNC(=O)Nc1ccnc(C)n1 776493792 VEFQSXIQUDMFQZ-UHFFFAOYSA-N 209.209 -0.042 50 20 BBGD NC(=O)c1cccc(C=NNC(=O)CO)c1 776779455 CWOUPQBMDPRVCW-UHFFFAOYSA-N 221.216 -0.772 50 20 BBGD O=C(C[C@@H]1CCCC(=O)N1)NNc1cccnn1 809686927 QAZANJIJNOJECZ-QMMMGPOBSA-N 249.274 -0.022 50 20 BBGD C[C@@H](NC(=O)CC(C)(C)C)C(=O)NN 825645342 XJWJJQYHRNTFEH-ZCFIWIBFSA-N 201.270 -0.083 50 20 BBGD CC(=O)NNC(=O)[C@H](O)c1ccccc1 849133546 ZRBVBGZRNGCTMO-SECBINFHSA-N 208.217 -0.113 50 20 BBGD CC1=NO[C@H](C(=O)NNC(=O)c2ccc[nH]2)C1 854278701 AHKYYKWTHLEKBE-QMMMGPOBSA-N 236.231 -0.060 50 20 BBGD CNC(=S)N(C)NC(=O)[C@H]1CCCO1 854923419 VHBOWFZRRRNJFB-ZCFIWIBFSA-N 217.294 -0.367 50 20 BBGD C[C@@H](C#N)C(=O)NNC(=O)c1cn[nH]c1 862471403 CSXQVRLXJYSDPH-YFKPBYRVSA-N 207.193 -0.670 50 20 BBGD CC(C)NC(=O)NNC(=O)CN1CCOC1=O 874247351 QTHNIIBJRCDRBA-UHFFFAOYSA-N 244.251 -0.823 50 20 BBGD O=C(NCC(F)F)NNC(=O)c1cc[nH]n1 879754013 JZNDBNDQSXLENN-UHFFFAOYSA-N 233.178 -0.381 50 20 BBGD CC[C@@]1(C(=O)NN(C)C[C@H](C)O)CCNC1=O 910182714 IVVIFXZQPIIIPG-GZMMTYOYSA-N 243.307 -0.754 50 20 BBGD CC(C)CC(=O)NNC(=O)c1n[nH]c(O)n1 918300932 XWZXEXDQOOHJSR-UHFFFAOYSA-N 227.224 -0.683 50 20 BBGD CC(=O)NNC(=O)[C@H]1CCc2n[nH]cc2C1 1117777708 ATILEDYYVNAVTP-ZETCQYMHSA-N 222.248 -0.318 50 20 BBGD COCc1nocc1C(=O)NNC(=O)OC 1118285242 UEIDCBOMPJECNP-UHFFFAOYSA-N 229.192 -0.178 50 20 BBGD CN(C)C1(C(=O)NNc2ccn(C)n2)CC1 1118972082 UAYWDCLCGTYKMU-UHFFFAOYSA-N 223.280 -0.043 50 20 BBGD CCNC(=O)NNC(=O)c1ccnc(C)n1 1251280196 SRVVHQZGRXUIMN-UHFFFAOYSA-N 223.236 -0.251 50 20 BBGD N#Cc1ncn(CC(=O)NNc2cccnn2)n1 1320351816 JYSSSWNJPYNYOE-UHFFFAOYSA-N 244.218 -0.917 50 20 BBGD COc1cc(C(=O)NNc2ncccn2)nn1C 1321331388 RFORVHMKHVSCMT-UHFFFAOYSA-N 248.246 -0.024 50 20 BBGD COC(=O)N(C)NC(=O)c1cnccn1 1326991930 GZSKVBOQZOMDLG-UHFFFAOYSA-N 210.193 -0.180 50 20 BBGD COc1cc(C(=O)NNC(C)=O)ccn1 1327931595 XGYFJGAIJRNAIB-UHFFFAOYSA-N 209.205 -0.129 50 20 BBGD O=C1CC[C@H](C(=O)NNC(=O)c2cccnc2)N1 1330149565 KBGQSEUTQGKXOZ-MRVPVSSYSA-N 248.242 -0.879 50 20 BBGD Cn1ncc(N)c1C(=O)NNC(=O)C1CC1 1580004932 MCYNWXCLJNMIDS-UHFFFAOYSA-N 223.236 -0.827 50 20 BBGD CCOC(=O)NNC(=O)c1cc(C(=O)O)no1 1610019312 OGVOAJMEEINFLW-UHFFFAOYSA-N 243.175 -0.236 50 20 BBGD CS(=O)(=O)Cc1ccc(C(=O)NN)cc1 37388004 LVPHQSSHPPOKPN-UHFFFAOYSA-N 228.273 -0.165 50 20 BBGD CNC(=O)NNC(=O)[C@H](C)Oc1cccnc1 117765734 OVMDFDZKGYHUNR-ZETCQYMHSA-N 238.247 -0.191 50 20 BBGD CCOC(=O)/C(C#N)=C/NCc1ncn(C)n1 131259842 HGXLMZFCCVPIGO-VMPITWQZSA-N 235.247 -0.125 50 20 BBGD O=C(Nc1cccc(B(O)O)c1)[C@@H]1CCCOC1 404935121 CTKRAZHHUQAAMK-SECBINFHSA-N 249.075 -0.269 50 20 BBGD COCCC(=O)Nc1cccc(B(O)O)c1 404989084 RWPABWXPTIWJEK-UHFFFAOYSA-N 223.037 -0.659 50 20 BBGD C#CCN(C)CC(=O)NNC(=O)C1CC1 491678350 AVYOXUIJHWEPEM-UHFFFAOYSA-N 209.249 -0.891 50 20 BBGD CC[C@H](NCc1ccc(B(O)O)o1)[C@@H](C)O 585044713 RBDQHWDTIOVVAK-APPZFPTMSA-N 227.069 -0.792 50 20 BBGD COCC(=O)NNC(=O)Nc1ccn(C)n1 756294323 RAGZXQUZXJLAPE-UHFFFAOYSA-N 227.224 -0.781 50 20 BBGD Cc1ccnc(C)c1NC(=O)NNC(=O)CO 806538322 CXAYNWVEZQDOKC-UHFFFAOYSA-N 238.247 -0.157 50 20 BBGD CCOC(=O)NNC(=O)[C@H](C)CC(=O)O 829865456 DHXDBDOUPPFYGW-RXMQYKEDSA-N 218.209 -0.126 50 20 BBGD C=C[C@H](NNC(=O)[C@H]1CCCCO1)C(=O)OC 842150289 CJQJXCPGCFMSCU-DTWKUNHWSA-N 242.275 -0.096 50 20 BBGD O=C(CN1CC[C@H]2C[C@@H]2C1)NNC(=O)C1CC1 852636581 XYOOAVUQPMLFMI-VHSXEESVSA-N 237.303 -0.114 50 20 BBGD CCc1noc(COc2ccc(B(O)O)cc2)n1 865373549 ZIBIYUBXBRFNOG-UHFFFAOYSA-N 248.047 -0.109 50 20 BBGD C[C@@H]1COCC1=NNC(=O)CN1CCCC1=O 884402013 IKICBMBLDDFNFN-MRVPVSSYSA-N 239.275 -0.253 50 20 BBGD CCNC(=O)NNC(=O)c1snnc1C 1116775628 GTNQOKAODUZIRS-UHFFFAOYSA-N 229.265 -0.190 50 20 BBGD Cc1nc(CC(=O)NNC(=O)CO)cs1 1254254939 JEKSNDMQQHPWTB-UHFFFAOYSA-N 229.261 -0.866 50 20 BBGD COC(=O)C(=O)NN=C1CCN(C)[C@@H](C)C1 1318907950 BOHSBYBHOMZZRZ-ZETCQYMHSA-N 227.264 -0.254 50 20 BBGD COC(=O)c1ccc(C(=O)NN(C)C(N)=O)o1 1325151602 VMQUWUQCYJPTGV-UHFFFAOYSA-N 241.203 -0.279 50 20 BBGD C[C@H](O)CN(C)NC(=O)[C@H](C)Cc1cnc[nH]1 1334998373 QQAHLYYJCVMHBF-BDAKNGLRSA-N 240.307 -0.068 50 20 BBGD COc1nccc(C(=O)NNC(=O)N(C)C)n1 1335028484 ZOPKCBZKSDVANW-UHFFFAOYSA-N 239.235 -0.599 50 20 BBGD Cn1cc(C(=O)NNC(=O)c2ccnnc2)cn1 1341255077 HHSCLQFTJIUEIM-UHFFFAOYSA-N 246.230 -0.715 50 20 BBGD CO[C@H](C(=O)O)C(=O)NNc1ncccc1C 1593911253 JELRIUPEPCMLFS-ZETCQYMHSA-N 239.231 -0.067 50 20 BBGD C/C(N)=C(\C#N)C(=O)CN1CCN(C)CC1 20255122 QTNURVVBJWNPOY-KTKRTIGZSA-N 222.292 -0.441 50 20 BBGD C[S@](=O)CCNS(=O)(=O)CCCCl 229270602 MZRJYTZXFQDBCK-LBPRGKRZSA-N 247.769 -0.087 50 20 BBGD CNC(=O)NCC(=O)NNC(=O)OC(C)(C)C 270470448 HEUCFIZVHFFEKC-UHFFFAOYSA-N 246.267 -0.529 50 20 BBGD CCCC[C@@H](NC(N)=O)C(=O)NN(C)C(N)=O 272249232 YYMUGLAOQMFJID-ZCFIWIBFSA-N 245.283 -0.745 50 20 BBGD Cc1ccnc(N2CC[C@@H](B(O)O)C2)n1 585074104 SVAQMMTXRXMTLZ-MRVPVSSYSA-N 207.042 -0.162 50 20 BBGD O=C(NNC(=O)[C@H]1C[C@@H]1C(=O)O)c1ccc[nH]1 739454545 SFPWMXYDEGHDFO-WDSKDSINSA-N 237.215 -0.504 50 20 BBGD C#CC(=O)NNC(=O)COc1ccccc1O 754022268 VWJPFLRCKPLDLS-UHFFFAOYSA-N 234.211 -0.448 50 20 BBGD COC(=O)CSCC(=O)NNC(=O)C(C)C 754346311 MEMNQBNCXFUHKJ-UHFFFAOYSA-N 248.304 -0.304 50 20 BBGD CC(=NNC(=O)C(N)=O)c1ccc(N)cc1C 758092182 HIFFFJKWRPCYGF-UHFFFAOYSA-N 234.259 -0.097 50 20 BBGD CN(C)C(=O)NNC(=O)[C@H](O)c1cccnc1 764935721 TYDDBIVLDNELJN-MRVPVSSYSA-N 238.247 -0.583 50 20 BBGD O=C(Cn1cccnc1=O)NNc1ccccn1 777469410 NRWZEKVNECXUMC-UHFFFAOYSA-N 245.242 -0.218 50 20 BBGD CC[C@H](CO)C(=O)NNC(=O)c1c[nH]nc1C 779769380 PQBKAMVODIJADC-SSDOTTSWSA-N 240.263 -0.502 50 20 BBGD C[C@@H](O)CN(C)NC(=O)c1ccnn1C 821217536 KIVCQNPHFIEENA-SSDOTTSWSA-N 212.253 -0.623 50 20 BBGD CCN(CCO)NC(=O)[C@](C)(O)CC 823377557 VJWZHSANUWHDOV-SECBINFHSA-N 204.270 -0.507 50 20 BBGD COc1nccc(C(=O)NN(C)[C@H](C)CO)n1 823384144 CQFKIQSZEMFLHK-SSDOTTSWSA-N 240.263 -0.557 50 20 BBGD N#CC[C@@]1(O)CCN(S(=O)(=O)CCl)C1 828045052 HUJMBNJTNOJQDN-SSDOTTSWSA-N 238.696 -0.137 50 20 BBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)C1CC(=O)C1 843977074 FMSZNYCRGAOPOX-IMTBSYHQSA-N 240.259 -0.462 50 20 BBGD CC1=NO[C@H](C(=O)NNC(=O)C2CC2)C1 854179779 DBESRAIGGVUGEI-ZETCQYMHSA-N 211.221 -0.291 50 20 BBGD O=C(NOCC1CC1)c1ccc(B(O)O)cc1 863883792 NMWPYVLHDJEKGI-UHFFFAOYSA-N 235.048 -0.562 50 20 BBGD CO[C@H]1C[C@H](NC(=O)c2ccc(B(O)O)cc2)C1 863890091 JMKYUTYAQJEXAL-XYPYZODXSA-N 249.075 -0.726 50 20 BBGD COC/C=C/C(=O)NN(C)C[C@@H](C)O 910151577 CUITXCHMZQHSBW-WTSVBCDHSA-N 202.254 -0.467 50 20 BBGD CC(C)NC(=O)C(=O)NNC(=O)CC1CC1 914719067 PLXXIGMDLNGRKA-UHFFFAOYSA-N 227.264 -0.542 50 20 BBGD CCNC(=S)NNC(=O)[C@H]1CCOC1 921208410 YYQXQSNJUJTWSB-LURJTMIESA-N 217.294 -0.462 50 20 BBGD Cc1nn(C)c(Cl)c1C=NNC(=O)C(N)=O 1115821753 QHRMSOZZMREETG-UHFFFAOYSA-N 243.654 -0.683 50 20 BBGD CS(=O)(=O)NNC(=O)Cc1cccnc1 1115982948 ZDXYDCMEPPMARB-UHFFFAOYSA-N 229.261 -0.796 50 20 BBGD O=C1CC[C@H](C(=O)NNC(=O)C2CCC2)CN1 1116037533 WAPYDTNJQCYQKC-QMMMGPOBSA-N 239.275 -0.540 50 20 BBGD Cc1nn[nH]c1C(=O)NNC(=O)c1cccnc1 1116759768 NZFDQHZXWUTSAK-UHFFFAOYSA-N 246.230 -0.417 50 20 BBGD CO[C@H](C)C(=O)NNc1nccn(C)c1=O 1252518624 KORXRJCTPNIBSU-ZCFIWIBFSA-N 226.236 -0.742 50 20 BBGD Cn1cc(C(=O)NNS(=O)(=O)C2CC2)cn1 1318570144 YHTUNRUHVQSQOP-UHFFFAOYSA-N 244.276 -0.853 50 20 BBGD CC(=O)NNC(=O)[C@H]1CCN(C)C(=O)C1 1320555381 XYXIBAOZCFMMHG-ZETCQYMHSA-N 213.237 -0.978 50 20 BBGD CC(=O)NNC(=O)c1cccc(=O)n1C 1324351250 CXHUCHNGCRGQNL-UHFFFAOYSA-N 209.205 -0.834 50 20 BBGD NNC(=O)[C@H]1CNC(=O)C[C@@H]1C(F)(F)F 1330614100 HYGVMNPKSIIVTC-IMJSIDKUSA-N 225.170 -0.709 50 20 BBGD CNC(=O)NNC(=O)CCCn1cncn1 1333985504 RNYFOFQTFXVCPQ-UHFFFAOYSA-N 226.240 -0.982 50 20 BBGD Cc1n[nH]cc1C(=O)NN=Cc1cnnn1C 1340022339 VBYGCKWOQPDJDI-UHFFFAOYSA-N 233.235 -0.389 50 20 BBGD CC(C)(O)C(=O)NNC(=O)C[C@@H](N)C(C)(C)C 1575378207 KFQADHHPBBLWGE-SSDOTTSWSA-N 245.323 -0.332 50 20 BBGD CCNC(=O)NNC(=O)c1cnccn1 49183371 HQYRTRVFOXZKNU-UHFFFAOYSA-N 209.209 -0.560 50 20 BBGD O=S1(=O)CC[C@@H](NS(=O)(=O)CCl)C1 82512054 JXOBZMRHRDKIQG-RXMQYKEDSA-N 247.725 -0.711 50 20 BBGD O=S(=O)(CCl)NCCn1cnnc1 394353635 QGKVDNZDYYGRSL-UHFFFAOYSA-N 224.673 -0.606 50 20 BBGD CC1(C)[C@@H](O)C[C@H]1NCc1ccc(B(O)O)cc1 585036039 CLKAEICIZYBVHF-NEPJUHHUSA-N 249.119 -0.385 50 20 BBGD CCNC(=O)NNC(=O)CN(C)C(=O)C1CC1 733138895 JKMIGEWFKHTONX-UHFFFAOYSA-N 242.279 -0.795 50 20 BBGD Cc1cc(NNC(=O)CNC(=O)O)nc(C)n1 738241368 SUHDGHAPQKNAEU-UHFFFAOYSA-N 239.235 -0.196 50 20 BBGD O=C(Cc1cccnc1)NNC(=O)c1nc[nH]n1 746164552 ZXOGYZCIXSWDAB-UHFFFAOYSA-N 246.230 -0.797 50 20 BBGD CC(C)N(C)S(=O)(=O)NNC(=O)C1CCC1 747615646 DVWSOQKNQWZUTM-UHFFFAOYSA-N 249.336 -0.008 50 20 BBGD CC(C)CO[C@@H](C)C(=O)NNC(=O)CO 753443801 BINNHDAIYKBASG-ZETCQYMHSA-N 218.253 -0.813 50 20 BBGD C#CCOCCC(=O)NNC(=O)NCC1CC1 755665685 YOUIYXSKYUMGAK-UHFFFAOYSA-N 239.275 -0.233 50 20 BBGD CN(NC(=O)[C@H]1CCCOC1)C(N)=O 770438129 KRCUYSUAOPLYIF-LURJTMIESA-N 201.226 -0.545 50 20 BBGD CC[C@@H](CO)C(=O)NNC(=O)C1CC1 779580255 XJJYDCLYGZNBSV-LURJTMIESA-N 200.238 -0.438 50 20 BBGD CCOC(=O)C(C)(C)CC(=O)NNC(=O)NC 805167928 KBHGWCVUWGTGPZ-UHFFFAOYSA-N 245.279 -0.074 50 20 BBGD CO[C@@](C)(C(=O)NN(C)C(N)=O)C1CC1 812542163 SHAKFLGPNXSKKW-SECBINFHSA-N 215.253 -0.157 50 20 BBGD COc1cc(C)nc(NNC(=O)[C@@H]2C[C@@H]2N)n1 818127749 KIIRDGOJNSSVDE-RQJHMYQMSA-N 237.263 -0.416 50 20 BBGD CC(C)C#CC(=O)NNC(=O)N1CCOCC1 824621171 JQKNCJOQAQGADA-UHFFFAOYSA-N 239.275 -0.281 50 20 BBGD Cc1cnc(N)c(S(=O)(=O)NNC(=O)O)c1 833754222 SGNZIYBLKXPLFH-UHFFFAOYSA-N 246.248 -0.567 50 20 BBGD O=C(CC(F)(F)F)NNC(=O)[C@H](O)C1CC1 855001059 SUZJPOWJBHPTKR-ZCFIWIBFSA-N 240.181 -0.143 50 20 BBGD COC(=O)[C@H](NNC(=O)c1cn[nH]c1)C1CC1 863378440 MMWWGIIPRUKQKY-MRVPVSSYSA-N 238.247 -0.404 50 20 BBGD C#C[C@@H](C)N(C)C(=O)c1cccc(B(O)O)c1 863882393 ZGVLCVCEVZMPQC-SECBINFHSA-N 231.060 -0.540 50 20 BBGD COC(=O)CC(=O)NNC(=O)NC1CC1 906415832 FVZCNKXIXIOPAL-UHFFFAOYSA-N 215.209 -0.958 50 20 BBGD CC(=O)N[C@H](C)C(=O)NNC(=O)NCC1CC1 920859197 GUVOQEHRTSQZAZ-ZCFIWIBFSA-N 242.279 -0.749 50 20 BBGD CCNC(=O)CCCC(=O)NNC(=O)NC 1318747453 DOHZTRYABVEOEO-UHFFFAOYSA-N 230.268 -0.747 50 20 BBGD Cc1nnc(NNC(=O)COC(C)C)nc1O 1321995074 NJUNCSDSMQDLCC-UHFFFAOYSA-N 241.251 -0.246 50 20 BBGD COC(=O)NNC(=O)c1cnc2c(cnn2C)c1 1338025386 XELZZXACETUHOE-UHFFFAOYSA-N 249.230 -0.031 50 20 BBGD N#CCC(=O)NNC(=O)NCC(F)(F)F 1339801190 ANULOJILJCHSEE-UHFFFAOYSA-N 224.142 -0.207 50 20 BBGD N#Cc1cccc(C(=O)NNC(=O)CON)c1 1580075672 ZAXWLVDKJOYYCI-UHFFFAOYSA-N 234.215 -0.790 50 20 BBGD C=C[C@@H](NNC(=O)[C@@H]1CCCCO1)C(=O)O 1602819277 RMFQTZFZHSRJJL-SFYZADRCSA-N 228.248 -0.185 50 20 BBGD COC(=O)N[C@H](CC(C)C)C(=O)NN 118364349 JFJUGKUKZAFYKW-ZCFIWIBFSA-N 203.242 -0.253 50 20 BBGD O=C(CO)NNC(=O)c1cc(C2CC2)[nH]n1 182741676 ZYWULDLWLJIDJW-UHFFFAOYSA-N 224.220 -0.960 50 20 BBGD COC(=O)N(C)NC(=O)[C@H]1CC(=O)N(C)C1 286466119 UELYPYYVVLIJNZ-LURJTMIESA-N 229.236 -0.806 50 20 BBGD CCO/C=C(/C#N)C(=O)NN(C)C(N)=O 490814651 WPYMRGZITWJUKS-WAYWQWQTSA-N 212.209 -0.528 50 20 BBGD C[C@@H]1CN(C)C[C@H]1NCc1ccccc1B(O)O 585031489 VXXHWSWXVQWCEB-ZWNOBZJWSA-N 248.135 -0.594 50 20 BBGD C[C@H](CF)NCc1ccc(B(O)O)o1 585041455 PLJFULPLVRMRLA-ZCFIWIBFSA-N 201.006 -0.593 50 20 BBGD Cc1nnc2c(N3CC[C@@H](B(O)O)C3)nccn12 585074414 YMMHYFQWCFGVLW-MRVPVSSYSA-N 247.067 -0.514 50 20 BBGD N#CCN(CC(=O)NNC(=O)C1CC1)C1CC1 733194567 AAIHFEKKMFVFGP-UHFFFAOYSA-N 236.275 -0.468 50 20 BBGD N#Cc1ccc(NNC(=O)Cn2cnnn2)cc1 748113230 MSSZIGGTYBWMKI-UHFFFAOYSA-N 243.230 -0.312 50 20 BBGD CC[C@@H](CO)C(=O)NNc1cnccn1 779843044 AUNGZUMYRWXCKI-ZETCQYMHSA-N 210.237 -0.062 50 20 BBGD C[C@H]1C[C@H](C(=O)NNC(=O)CN(C)C)CO1 784772408 GLTXWVFCPRCSEK-YUMQZZPRSA-N 229.280 -0.880 50 20 BBGD COc1ccc(CC(=O)NN(C)C(N)=O)nc1 790008361 SRASUYBVDBPEKY-UHFFFAOYSA-N 238.247 -0.326 50 20 BBGD COCCN(C)NC(=O)[C@H](C)N(C)C 822843464 NWOLWWKBTBEZBE-QMMMGPOBSA-N 203.286 -0.454 50 20 BBGD C[C@@H](CO)N(C)NC(=O)[C@@H](C)N(C)C 823907519 MMRAOAALAKFFAN-JGVFFNPUSA-N 203.286 -0.720 50 20 BBGD CC(C)C(=O)NNC(=O)[C@@H](O)C1CC1 854214663 PWZHAOSTYVJRLY-ZETCQYMHSA-N 200.238 -0.439 50 20 BBGD CCC[C@@H](OC)C(=O)NNC(=O)c1cc[nH]n1 855355665 DBUGAQYJDPNSDA-MRVPVSSYSA-N 240.263 -0.014 50 20 BBGD CCNC(=O)CC(=O)NN=c1cc[nH]c(C)c1 862514724 UZBDALCLHYDTAT-UHFFFAOYSA-N 236.275 -0.219 50 20 BBGD O=C(Cc1nc[nH]n1)NNC(=O)C1CCCC1 864845018 JWTNMARMSBJRSM-UHFFFAOYSA-N 237.263 -0.315 50 20 BBGD Cc1ccn(CC(=O)NN(C)C[C@H](C)O)n1 910144539 KEGJUKPWECTETR-VIFPVBQESA-N 226.280 -0.465 50 20 BBGD CC(C)C(=O)NNC(=O)[C@@H]1CSCC(=O)N1 929288620 VCLQOFJOZQZEED-LURJTMIESA-N 245.304 -0.979 50 20 BBGD Cc1nc(C=NNC(=O)C(N)=O)cs1 1115814213 HKHGTDFHKQYYDH-UHFFFAOYSA-N 212.234 -0.613 50 20 BBGD O=C(CCO)NN=C1CCN2CCC[C@@H]12 1320397358 CZSIBKJRXZONML-VIFPVBQESA-N 211.265 -0.291 50 20 BBGD CC(=O)NNC(=O)CCCNC(=O)C1CC1 1323972622 YHRFTTFDUYGZJH-UHFFFAOYSA-N 227.264 -0.540 50 20 BBGD Cc1nnsc1C(=O)N1CC[C@H](B(O)O)C1 1329292282 HUNVQFLFGNGQLU-LURJTMIESA-N 241.081 -0.465 50 20 BBGD COc1cc(C(=O)NN(C)C(N)=O)nn1C 1338341548 ASLVVJXKEOCYCX-UHFFFAOYSA-N 227.224 -0.916 50 20 BBGD C=CCCn1cc(C=NNC(=O)C(=O)O)nn1 1588817610 PHEXHLMIXHUERP-UHFFFAOYSA-N 237.219 -0.611 50 20 BBGD O=C(NNC(=O)C(=O)O)NC1CCCCC1 1601552953 OZZJVQYHCMTNAV-UHFFFAOYSA-N 229.236 -0.266 50 20 BBGD O=C(NNC(=O)C(=O)O)N[C@H]1C[C@H]2CC[C@H]1C2 1601553202 XQCPOXOPVYNHGC-ACZMJKKPSA-N 241.247 -0.410 50 20 BBGD CCNC(=O)NNC(=O)CCn1cc(C)cn1 49164183 MVHGFMGARXAZPR-UHFFFAOYSA-N 239.279 -0.068 50 20 BBGD CC(C)(C)C(=O)NNC(=O)C(=O)N1CCCC1 132231928 GGSGZCJLIGUWCF-UHFFFAOYSA-N 241.291 -0.198 50 20 BBGD COCCN(C)NC(=O)Cc1cc(C)[nH]n1 288489902 SOPCZZVEQCYNKN-UHFFFAOYSA-N 226.280 -0.130 50 20 BBGD CN1CCCC[C@H]1CCC(=O)NCB(O)O 585074590 ZXYFJNZUTXRPPQ-VIFPVBQESA-N 228.101 -0.621 50 20 BBGD CC(C)NC(=O)NNC(=O)[C@H]1CCOC1 745205926 GOAWWNWFFBWSJB-ZETCQYMHSA-N 215.253 -0.238 50 20 BBGD CC(C)C(=O)NNC(=O)c1cccc(=O)n1C 756868539 VDXJEGPMGZLZSJ-UHFFFAOYSA-N 237.259 -0.198 50 20 BBGD O=C(CO)NN=Cc1cccc2c1OCCO2 776778111 SZHBVEHRAQRKTC-UHFFFAOYSA-N 236.227 -0.100 50 20 BBGD CCOCC(=O)NN=Cc1cn(C)nc1O 814221642 HVTIUEGNVPDLDA-UHFFFAOYSA-N 226.236 -0.388 50 20 BBGD C[C@H](CO)N(C)NC(=O)Cc1ccn(C)n1 823912779 LLUUFOWBIMFTSD-MRVPVSSYSA-N 226.280 -0.694 50 20 BBGD C[C@]1(CNC(=O)C(N)=O)C[C@H]1Br 824805531 UGKHARDRPRKMDD-CLZZGJSISA-N 235.081 -0.239 50 20 BBGD CCOC(=O)[C@@H](CC(=O)NNC(C)=O)C(C)=O 854154736 GSOAVBYRIKAIQF-QMMMGPOBSA-N 244.247 -0.688 50 20 BBGD O=C(CC1CC1)NNC(=O)[C@@H](O)C1CC1 854665912 IJYYCZKURXPLFY-VIFPVBQESA-N 212.249 -0.295 50 20 BBGD CO[C@H](C)CC(=O)NNC(=O)c1cn[nH]c1 862474089 FSRRSAKVXZCUDD-ZCFIWIBFSA-N 226.236 -0.404 50 20 BBGD Cc1csc(C(=O)NNC(=O)CO)c1 862478921 WHZPEUYIIIFPJQ-UHFFFAOYSA-N 214.246 -0.190 50 20 BBGD CN(C)CC1(C(=O)NNC(=O)NC2CC2)CC1 874194343 ZBCNYWZOPOXDLR-UHFFFAOYSA-N 240.307 -0.179 50 20 BBGD C[C@@H](O)CN(C)NC(=O)c1cccc(=O)n1C 910159997 DXQNINHMDSZLRH-MRVPVSSYSA-N 239.275 -0.657 50 20 BBGD Cc1nn(C)cc1C(=O)NN(C)C[C@@H](C)O 910169140 XJGMVDXLQHHQPR-SSDOTTSWSA-N 226.280 -0.314 50 20 BBGD CC(C)CC(=O)NNC(=O)NCC#CCO 923788607 KIPSIRVXZJAKPM-UHFFFAOYSA-N 227.264 -0.641 50 20 BBGD O=C(NNC(=O)[C@@H]1C[C@H]1F)c1cccnn1 1263856576 WFPUJMMAGUARDC-PHDIDXHHSA-N 224.195 -0.404 50 20 BBGD CC(=O)CCC(=O)NNC(=O)C(=O)NC(C)C 1317724964 XSDOBJZQWPZYKX-UHFFFAOYSA-N 243.263 -0.972 50 20 BBGD CN(C)C(=O)NNC(=O)C[C@@H]1CCOC1 1319017768 RKOFTIWMENDVAG-ZETCQYMHSA-N 215.253 -0.285 50 20 BBGD CCC(=O)N1CC[C@H](C(=O)NN(C)C(N)=O)C1 1320706734 GBHBNSGHWILLMI-ZETCQYMHSA-N 242.279 -0.713 50 20 BBGD CNC(=S)N(C)NC(=O)c1ccon1 1328746152 TVSDWBLKPLJVKU-UHFFFAOYSA-N 214.250 -0.245 50 20 BBGD OB(O)[C@H]1CCN(c2cnnc(O)c2Cl)C1 1329671757 LPKMJOUCHPDFQC-YFKPBYRVSA-N 243.459 -0.111 50 20 BBGD NNC(=O)C1CCN(CC(F)F)CC1 1345721406 JDUQGZSEYXEBJH-UHFFFAOYSA-N 207.224 -0.047 50 20 BBGD COCCNC(=S)NNC(=O)OC 7062378 MMEOMONGALWNLM-UHFFFAOYSA-N 207.255 -0.632 50 20 BBGD CNC(=O)NNC(=O)c1cnsn1 48950771 QWUIAPMKFUADGU-UHFFFAOYSA-N 201.211 -0.888 50 20 BBGD C=CCCC(=O)NNC(=O)C(C)(C)O 276330727 YGRHYAIBMVAHLK-UHFFFAOYSA-N 200.238 -0.129 50 20 BBGD C=C(CBr)CN1C[C@H](O)[C@@H](O)C1 279357865 QULZLIQKBIAJTG-YUMQZZPRSA-N 236.109 -0.025 50 20 BBGD CO/N=C/C(=O)NNC(=O)C(C)(C)C 289346721 WWELYMYMTRCHBU-WEVVVXLNSA-N 201.226 -0.188 50 20 BBGD CCN(C)C(=O)c1cc(B(O)O)ccc1F 584931366 RONUTSUNHYSGEO-UHFFFAOYSA-N 225.028 -0.403 50 20 BBGD N#C[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)C1 585006693 YZCHVOKECOJPQG-SECBINFHSA-N 244.059 -0.648 50 20 BBGD C=CCC[C@H](CO)NCc1cccc(B(O)O)c1 585045023 ZKVUNLOMROILHW-CYBMUJFWSA-N 249.119 -0.217 50 20 BBGD CCO[C@H]1C[C@H](NCc2ccc(B(O)O)o2)C1 585047926 XXWNVCRZKCFPAN-CZMCAQCFSA-N 239.080 -0.384 50 20 BBGD O=C(NCB(O)O)[C@@H]1COc2ccccc21 585061915 MLLGLOYBWRWWGE-MRVPVSSYSA-N 221.021 -0.709 50 20 BBGD Cc1noc2ncnc(N3CC[C@H](B(O)O)C3)c12 585072854 FYOPXUHLBCWTCV-ZETCQYMHSA-N 248.051 -0.021 50 20 BBGD CN1CCN(C(=O)NNC(=O)C2CCC2)CC1 788169576 RBENLXDFTUKRBL-UHFFFAOYSA-N 240.307 -0.225 50 20 BBGD CCN(C)c1ccc(C=NNC(=O)CO)cn1 790171504 XICKFSQMTOHUKM-UHFFFAOYSA-N 236.275 -0.020 50 20 BBGD C=C[C@@H](O)C(=O)NNC(=O)NCCCC 823755827 LMGUNNZBEJPTED-SSDOTTSWSA-N 215.253 -0.336 50 20 BBGD C=C[C@H](NNC(=O)[C@H]1CCO[C@H]1C)C(=O)OC 843288346 AVYSRSZAYPQZIT-CIUDSAMLSA-N 242.275 -0.240 50 20 BBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1cocn1 843650403 BSIIIPIFEBEESB-RNFRBKRXSA-N 239.231 -0.139 50 20 BBGD COCCN(C)NC(=O)C1CN(C(C)=O)C1 848378331 NRNGXWVBYBWBOZ-UHFFFAOYSA-N 229.280 -0.926 50 20 BBGD CCOC(=O)CC(=O)NNC(=O)c1cc[nH]n1 855359347 OLQDMBMLZSIMRI-UHFFFAOYSA-N 240.219 -0.876 50 20 BBGD O=C(CC1CC1)NNC(=O)[C@H]1CCCNC1=O 868589635 GNBMAEFSGMGNMD-QMMMGPOBSA-N 239.275 -0.540 50 20 BBGD CNC(=O)NNC(=O)CN(C)C1CCC1 900352294 AOUCHFJIVLNPCE-UHFFFAOYSA-N 214.269 -0.569 50 20 BBGD C[C@H](O)CN(C)NC(=O)c1ncccc1O 910159777 JWJWULZRRMPXBL-ZETCQYMHSA-N 225.248 -0.255 50 20 BBGD C[C@@H](O)CN(C)NC(=O)Cn1ccccc1=O 910179190 TXAURBSEVZYVBA-SECBINFHSA-N 239.275 -0.808 50 20 BBGD CC(C)C(=O)NNC(=O)CSCC(N)=O 1318634000 ANWZKMXMFNMXKB-UHFFFAOYSA-N 233.293 -0.992 50 20 BBGD Cc1ccnn1CC(=O)N1CC[C@@H](B(O)O)C1 1330263075 YWAGOYCDTQBRHK-SECBINFHSA-N 237.068 -0.733 50 20 BBGD CCN(CCO)NC(=O)CCc1cncnc1 1332364169 BFLUKMQNHUTLAY-UHFFFAOYSA-N 238.291 -0.245 50 20 BBGD CC[C@H](F)C(=O)NNC(=O)CN1CCCC1=O 1337394601 GBORJYLTQQZXTQ-ZETCQYMHSA-N 245.254 -0.496 50 20 BBGD C/C(C#N)=C\Cn1cncc(-c2nn[nH]n2)c1=O 1573557925 BJBOIMFRAKOVIY-FARCUNLSSA-N 243.230 -0.107 50 20 BBGD Cc1nc(N)sc1C(=O)NN(C)[C@H](C)CO 1579863261 YEDXYNVOJIJQAS-RXMQYKEDSA-N 244.320 -0.009 50 20 BBGD C[C@H](CO)N(C)NC(=O)[C@]1(C(=O)O)C[C@H]1C 1603201719 HSEZNDHLUFTRKA-XSSZXYGBSA-N 230.264 -0.559 50 20 BBGD C=CCC1(C(=O)NNC(=O)CO)CCC1 191223599 OZMBSAHHEZKHSZ-UHFFFAOYSA-N 212.249 -0.128 50 20 BBGD COC(=O)CCc1ccccc1B(O)O 204270386 BBJDDIWYJZQUHT-UHFFFAOYSA-N 208.022 -0.528 50 20 BBGD CO[C@@H](C)CC(=O)Nc1cccc(B(O)O)c1 584911835 ZHSZGINDFAOEIP-QMMMGPOBSA-N 237.064 -0.270 50 20 BBGD CC1(CNC(=O)c2cccc(B(O)O)c2)CC1 584957479 ODBAVBNHLPAHMC-UHFFFAOYSA-N 233.076 -0.104 50 20 BBGD C[C@@H](CO)CNCc1cccc(B(O)O)c1 585018833 UOFOVBNAMQZFNI-SECBINFHSA-N 223.081 -0.916 50 20 BBGD CC1(C)[C@@H](NCc2cccc(B(O)O)c2)C[C@H]1O 585037269 XLXSJTOLRHQPGF-NWDGAFQWSA-N 249.119 -0.385 50 20 BBGD CN(C)C(=O)NNC(=O)/C=C\c1cnn(C)c1 746003782 SORSARUHAWFLMH-PLNGDYQASA-N 237.263 -0.264 50 20 BBGD CCOCC(=O)NNC(=O)Cc1ccncc1 747325237 WXDWBFQPSPXMFF-UHFFFAOYSA-N 237.259 -0.192 50 20 BBGD CNC(=O)NNC(=O)C(=O)N1CCC[C@@H](C)C1 769689533 NYDXMAPRPNUPGQ-SSDOTTSWSA-N 242.279 -0.795 50 20 BBGD COC(=O)c1cc(C=NNC(=O)CO)c[nH]1 776783078 WCFZFCBKDQOBMR-UHFFFAOYSA-N 225.204 -0.756 50 20 BBGD CC[C@@H](CO)C(=O)NN=c1cc[nH]cc1 779836604 YRKZPEUTVRCDNV-QMMMGPOBSA-N 209.249 -0.035 50 20 BBGD CC(C)[C@@H](O)C(=O)NNC(=O)NC1CC1 795588057 RFHIZXLYFGITOK-SSDOTTSWSA-N 215.253 -0.504 50 20 BBGD CNC(=O)c1sc(NNC(N)=O)nc1C 800722059 ZOCKTYLCKPQJTF-UHFFFAOYSA-N 229.265 -0.194 50 20 BBGD CCc1cc(C(=O)NNc2nc[nH]n2)n[nH]1 816633045 LCDHCHMDTHDLLQ-UHFFFAOYSA-N 221.224 -0.153 50 20 BBGD O=C(Cc1ccncc1)NNC(=O)[C@H]1C[C@@H](O)C1 820549455 NFZLBJXFHYDLIR-AOOOYVTPSA-N 249.270 -0.458 50 20 BBGD CCn1ccc(CC(=O)NN(C)[C@@H](C)CO)n1 823913119 OQIAVGLBSCXQQS-VIFPVBQESA-N 240.307 -0.211 50 20 BBGD CC1=C(C(=O)NN)[C@H](C)n2ncnc2N1C 843450472 AFTCLGIPJXDZAR-LURJTMIESA-N 222.252 -0.447 50 20 BBGD CCNC(=O)N(C)NC(=O)[C@H]1CSCN1 843494683 VJADFDHFHNULHQ-ZCFIWIBFSA-N 232.309 -0.659 50 20 BBGD CC(C)[C@H](O)C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 843969989 AODGYNHIZFTIQK-HLTSFMKQSA-N 244.291 -0.424 50 20 BBGD CC[C@@]1(C(=O)NNC(=O)C2CC2)CCNC1=O 864443779 JFWIOHNXJUPCBV-LLVKDONJSA-N 239.275 -0.540 50 20 BBGD COCCN(C)NC(=O)c1noc(COC)n1 883128634 OZWNIOXBTRKWAB-UHFFFAOYSA-N 244.251 -0.561 50 20 BBGD Cn1cncc1C(=O)NNc1cccnn1 1326066848 SMGLLOKABXKNQF-UHFFFAOYSA-N 218.220 -0.033 50 20 BBGD Cc1c(C(=O)NNC(=O)C(C)C)nnn1C 1339447857 LXVRGRSAWSQUDR-UHFFFAOYSA-N 225.252 -0.459 50 20 BBGD O=C(c1cnsn1)N1CC[C@@H](B(O)O)C1 1351730770 ZSOVTOLQLZBUQS-RXMQYKEDSA-N 227.054 -0.773 50 20 BBGD CC(C)(C)C(=O)NNC(=O)C[C@@]1(O)CCNC1 1575106290 KWPMZJGANVTGBU-NSHDSACASA-N 243.307 -0.706 50 20 BBGD CC1(C(=O)NNC(=O)CN)CCC(=O)CC1 1576350191 MIIMVEKBYIBTPL-UHFFFAOYSA-N 227.264 -0.758 50 20 BBGD CC(C)C(=O)NNC(=O)[C@H]1CC[C@@H](C(=O)O)O1 1590939468 VPXAHKJCLFECFW-RQJHMYQMSA-N 244.247 -0.578 50 20 BBGD O=C(CCl)NCCNC(=O)C1CC1 135086208 VIPYIKBTABYONO-UHFFFAOYSA-N 204.657 -0.132 50 20 BBGD C[C@H](CO)N(C)S(=O)(=O)CBr 159649477 VAYHYADQZOHPHJ-RXMQYKEDSA-N 246.126 -0.019 50 20 BBGD CCO/C=C(\C#N)C(=O)N1CC(=O)N[C@H](C)C1 296968646 KKNRSWCVBLZLSZ-KGOFQHAKSA-N 237.259 -0.223 50 20 BBGD CCO/C=C(\C#N)C(=O)N(C)[C@H]1CCNC1=O 490782251 IUMFAMDAIKBHEC-FLOXNTQESA-N 237.259 -0.223 50 20 BBGD C#CCN(CC(=O)NNC(=O)C1CC1)C1CC1 491654787 GRYPZLFPWOVDTA-UHFFFAOYSA-N 235.287 -0.359 50 20 BBGD COC(=O)NNC(=O)c1cccc(C(N)=O)c1 495905733 SIKUNZCESZJSKH-UHFFFAOYSA-N 237.215 -0.214 50 20 BBGD OB(O)c1cccc(CNCC2=CCCOC2)c1 585041482 YEDIVHMAOIGJCJ-UHFFFAOYSA-N 247.103 -0.197 50 20 BBGD O=C(NCB(O)O)c1cccc2cccnc12 585060289 CXPIIHZRCVBBHD-UHFFFAOYSA-N 230.032 -0.023 50 20 BBGD CC(C)C(=O)NNC(=O)[C@@H](O)C(C)C 813366737 RVIJVDIEHUBCLA-ZETCQYMHSA-N 202.254 -0.193 50 20 BBGD CCO/C=C(/C#N)C(=O)NCCn1cnnn1 819458522 GJUWTVBILPPHIW-VURMDHGXSA-N 236.235 -0.767 50 20 BBGD CC(C)NC(=O)NNC(=O)[C@H]1CCCNC1=O 865042781 YHMDPFVCUOHFAX-ZETCQYMHSA-N 242.279 -0.749 50 20 BBGD O=S(=O)(CBr)N1CC[C@H]1CO 907832494 YZDAYYXGPZZVBM-YFKPBYRVSA-N 244.110 -0.265 50 20 BBGD C[C@H](C(=O)NN(C)[C@@H](C)CO)c1cnccn1 911445496 WZNDZPJTUVFFQM-IUCAKERBSA-N 238.291 -0.076 50 20 BBGD CC(=O)NNC(=O)COC(F)(F)F 929183413 VWNOYRILZWYAOM-UHFFFAOYSA-N 200.116 -0.310 50 20 BBGD COCc1cc(C(=O)NNC(C)=O)no1 1116628236 IUBUMSLTKIALDJ-UHFFFAOYSA-N 213.193 -0.398 50 20 BBGD O=C(CCc1cncnc1)NNC(=O)NC1CC1 1261233881 LMMYHFRETQSGHT-UHFFFAOYSA-N 249.274 -0.098 50 20 BBGD CNC(=O)NNC(=O)C[C@H]1CCC(=O)[C@@H]1C 1324974985 DMWZYNDAEYCPPG-RNFRBKRXSA-N 227.264 -0.048 50 20 BBGD CN(C)S(=O)(=O)/C(C#N)=C\c1cn(C)nn1 1325013614 APYFMOPBKRHGOO-YWEYNIOJSA-N 241.276 -0.429 50 20 BBGD Cc1ncc(C=NNC(=O)C(=O)NC2CC2)n1C 1327678141 XXMDUSCUWSCPQX-UHFFFAOYSA-N 249.274 -0.543 50 20 BBGD Cc1ncc(C(=O)N2CC[C@H](B(O)O)C2)[nH]1 1329673336 WVCFFINADWSZDB-ZETCQYMHSA-N 223.041 -0.593 50 20 BBGD C[C@H](CO)N(C)NC(=O)[C@@H](C)n1ccnc1 1329807049 POPICHUNRFUCEK-RKDXNWHRSA-N 226.280 -0.212 50 20 BBGD C[C@@H](O)CN(C)NC(=O)CCc1cnn[nH]1 1334200675 DVUBTTKTFAXDFB-SSDOTTSWSA-N 227.268 -0.919 50 20 BBGD O=C(NNc1ccncn1)c1cn[nH]c1 1334802626 HLWNEAXTOQQJKE-UHFFFAOYSA-N 204.193 -0.043 50 20 BBGD COCCC(=O)COc1ccc(B(O)O)cc1 1351783292 WERFKTGQAOTJNK-UHFFFAOYSA-N 238.048 -0.649 50 20 BBGD O=C(NNC(=S)NC1CCC1)c1ncon1 1352136911 XCAMGFUJISSBBA-UHFFFAOYSA-N 241.276 -0.269 50 20 BBGD CC(=O)NNC(=O)[C@H]1Cc2ccc(O)cc2N1 1575014289 AAPRRYMNMGGOSH-SNVBAGLBSA-N 235.243 -0.104 50 20 BBGD CC(C)C(=O)NNC(=O)[C@@H](C)C(=O)O 1588799572 RPTJUQLNOSRMPV-RXMQYKEDSA-N 202.210 -0.490 50 20 BBGD CC(=O)NNC(=O)C1(C(=O)O)CC=CC1 1602760624 OBMJSESHMDGXMM-UHFFFAOYSA-N 212.205 -0.425 50 20 BBGD O=C(CO)NNC(=O)Cc1ccc(F)cc1F 182742968 IUOYYXOQYXLCTK-UHFFFAOYSA-N 244.197 -0.353 50 20 BBGD CNC(=O)NCC(=O)NNC(=O)C(C)(C)C 270523273 RSLWMYCJEKKTQC-UHFFFAOYSA-N 230.268 -0.891 50 20 BBGD COC(=O)[C@H]1C[C@H]1C(=O)NN(C)C(=O)OC 286257042 HGBILAQPRIVEHB-RITPCOANSA-N 230.220 -0.475 50 20 BBGD COC(=O)NCCC(=O)NN(C)C1CC1 496225694 JHQOYQPAQDIXDS-UHFFFAOYSA-N 215.253 -0.142 50 20 BBGD OCC[C@H](NCc1ccc(B(O)O)cc1)C1CC1 585024730 BORPIOADAOJYMY-ZDUSSCGKSA-N 249.119 -0.383 50 20 BBGD CC(=O)c1ccc(C(=O)NCB(O)O)cc1 585060541 GDRWBKZNUMMCMA-UHFFFAOYSA-N 221.021 -0.369 50 20 BBGD OCc1cc(N2CC[C@H](B(O)O)C2)ccn1 585079107 RYVQAISDXMPMOW-QMMMGPOBSA-N 222.053 -0.373 50 20 BBGD COCCC(=O)NNC(=O)C1CCC1 732141397 IHTYUJGAGKEVCA-UHFFFAOYSA-N 200.238 -0.030 50 20 BBGD CCC(=O)NNC(=O)[C@@H](C)N1CC[C@@](C)(O)C1 748832931 LHEPRYJALHFUJX-LDYMZIIASA-N 243.307 -0.611 50 20 BBGD CCNC(=O)NNC(=O)Cc1cc(C)[nH]n1 755236816 AKTZOQPRNWNACE-UHFFFAOYSA-N 225.252 -0.389 50 20 BBGD O=C(CSc1cnn[nH]1)NNC(=O)C1CC1 757746304 OXJVAIQCMCQIFV-UHFFFAOYSA-N 241.276 -0.546 50 20 BBGD O=C(CO)NN=Cc1ccc(O)c([N+](=O)[O-])c1 776780648 LTDRQMRIYPVXOL-UHFFFAOYSA-N 239.187 -0.257 50 20 BBGD CCNC(=O)N(C)NC(=O)c1ccn(C)n1 780708032 CHQJYRFGRWQDSM-UHFFFAOYSA-N 225.252 -0.274 50 20 BBGD CCNC(=O)CC(=O)NNC(=O)C1CCCC1 780883438 SBVFGISGSOCVGC-UHFFFAOYSA-N 241.291 -0.150 50 20 BBGD O=C(NN=C1CCS(=O)(=O)C1)C(F)F 782234208 CVTPKLPILQHFEA-UHFFFAOYSA-N 226.204 -0.458 50 20 BBGD CN(NC(=O)[C@@H](O)Cc1ccccc1)C(N)=O 793753256 NRKSMKPEGYFFIZ-VIFPVBQESA-N 237.259 -0.368 50 20 BBGD CC(C)c1ccc(C(=O)NNC(=O)CO)nc1 810919250 VVYGGGULBVVFJF-UHFFFAOYSA-N 237.259 -0.042 50 20 BBGD COCCN(C)NC(=O)CN1CCOC1=O 822842888 CUVDHLCWCYBYDW-UHFFFAOYSA-N 231.252 -0.952 50 20 BBGD C[C@H](CO)N(C)NC(=O)[C@H](O)c1ccccn1 823927868 HZAIWWCJDDWWTC-PSASIEDQSA-N 239.275 -0.541 50 20 BBGD CN1CCCC[C@@H]1C(=O)NNc1cnnn1C 857271699 VYYKFCZESLJKTE-MRVPVSSYSA-N 238.295 -0.258 50 20 BBGD COCCN(C)NC(=O)[C@@H]1[C@@H]2CCC(=O)[C@H]21 908115298 QMDVHYMOIQEPCP-FKTZTGRPSA-N 226.276 -0.179 50 20 BBGD CCn1nc(C)c(C(=O)NN(C)C[C@H](C)O)n1 910145681 VPWSYDGDROKULY-ZETCQYMHSA-N 241.295 -0.436 50 20 BBGD C[C@@H](CO)N(C)NC(=O)[C@H](C)c1cnccn1 911445495 WZNDZPJTUVFFQM-DTWKUNHWSA-N 238.291 -0.076 50 20 BBGD COCCOCC(=O)NNC(=O)C(C)C 914881227 CGKOPSMSBKTKKH-UHFFFAOYSA-N 218.253 -0.547 50 20 BBGD O=C(NCC#CCO)NNC(=O)C1CCC1 923780526 HNYYBQOSQGTOCK-UHFFFAOYSA-N 225.248 -0.887 50 20 BBGD CC(C)(C)C(=O)NNC(=O)NC[C@@H]1COCO1 923861339 YPZQUGPYUKGLFW-SSDOTTSWSA-N 245.279 -0.264 50 20 BBGD C=Cn1cc(C=NNC(=O)CCO)cn1 1116803717 CZZVARNEMBVHNT-UHFFFAOYSA-N 208.221 -0.184 50 20 BBGD O=C(NNc1cccnn1)C1(O)CCOCC1 1320399671 RJBIRCIURBUCGI-UHFFFAOYSA-N 238.247 -0.539 50 20 BBGD COCC(=O)NNC(=O)Nc1nocc1C 1323843999 HCGIQVDWYFYNQN-UHFFFAOYSA-N 228.208 -0.218 50 20 BBGD CC(C)C(=O)NNC(=O)NCc1cncn1C 1351849504 SWLLPHAODIFEIZ-UHFFFAOYSA-N 239.279 -0.094 50 20 BBGD CNC(=O)c1cccc(C(=O)N(C)N)c1 1573895928 BJKROUZXHSCPAQ-UHFFFAOYSA-N 207.233 -0.008 50 20 BBGD CC(C)C(=O)NNC(=O)N[C@@H](C)CC(=O)O 1589002036 RGKPDYUOYMKFIH-LURJTMIESA-N 231.252 -0.164 50 20 BBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)CC(=O)O 1594646172 WTKKIXIBPTYZCQ-RITPCOANSA-N 230.220 -0.967 50 20 BBGD CN(NC(=O)CCSCC(=O)O)C(N)=O 1598540929 GNKUQZGJPOLHEZ-UHFFFAOYSA-N 235.265 -0.764 50 20 BBGD CNC(=O)NNC(=O)[C@H]1C[C@@H](C(=O)O)C1 1598650486 GKCKHLQKDSHAFS-SYDPRGILSA-N 215.209 -0.943 50 20 BBGD NNC(=O)c1ccc(Cn2cncn2)cc1 70225322 NELNXWBDENIDQM-UHFFFAOYSA-N 217.232 -0.070 50 20 BBGD CC[C@H](CO)NS(=O)(=O)CCl 82513024 LYAUJEWDDLJUNF-RXMQYKEDSA-N 201.675 -0.127 50 20 BBGD O=C(NNC(=O)N1CCOCC1)c1cc[nH]c1 264599878 VTSLMTUPAFIXIQ-UHFFFAOYSA-N 238.247 -0.299 50 20 BBGD C[C@@H]1CC(=O)N[C@H](C(=O)NNC(=O)C2CC2)C1 292684398 MKZLFBQKLPGSGA-XPUUQOCRSA-N 239.275 -0.542 50 20 BBGD Cc1cccnc1CNCc1ccc(B(O)O)o1 585015046 MWZNMQDQBVRMOA-UHFFFAOYSA-N 246.075 -0.047 50 20 BBGD OB(O)c1cccc(CNCCC2(O)CCC2)c1 585041904 IDXWCCJUTSWRFC-UHFFFAOYSA-N 249.119 -0.239 50 20 BBGD C[C@@H](C(=O)NNC(=O)N1CCOCC1)N(C)C 750610851 OWTOSVQKIBEIHY-QMMMGPOBSA-N 244.295 -0.991 50 20 BBGD O=C(CO)NNC(=O)c1cccc2c1OCO2 753438024 LEYYBNWFJWIUQN-UHFFFAOYSA-N 238.199 -0.831 50 20 BBGD CC1(OCC(=O)NNC(=O)CO)CCC1 753442302 DEGVDYATVHEAIN-UHFFFAOYSA-N 216.237 -0.915 50 20 BBGD Cc1cc(C(=O)NNC(=O)c2cn[nH]c2)n[nH]1 768277345 RQFHWBJMECQAMX-UHFFFAOYSA-N 234.219 -0.484 50 20 BBGD CC(C)[C@](C)(O)C(=O)NNC(=O)N(C)C 771289307 VDQVWDUTBGAMJD-VIFPVBQESA-N 217.269 -0.304 50 20 BBGD Cc1cccnc1NNC(=O)CS(C)(=O)=O 791220691 KSHVQBITKMHEEF-UHFFFAOYSA-N 243.288 -0.122 50 20 BBGD COc1ccc(NNC(=O)c2cnn(C)n2)nc1 803150521 JCRIGEWHDOYLIU-UHFFFAOYSA-N 248.246 -0.024 50 20 BBGD CCNC(=O)CC(=O)NNc1ncncc1F 817080241 WZTKPHFOOHSMQV-UHFFFAOYSA-N 241.226 -0.415 50 20 BBGD CC(C)(O)C(=O)NNC(=O)c1ncccc1F 832754384 IKNZDORZAWHCSJ-UHFFFAOYSA-N 241.222 -0.247 50 20 BBGD COC1(C(=O)NN(C)C[C@@H](C)O)CCC1 910152149 LZAXAIXUIYUISS-MRVPVSSYSA-N 216.281 -0.101 50 20 BBGD C[C@H](O)CN(C)NC(=O)C1=COCC1 910166114 SUHVDUQHCNCNLZ-ZETCQYMHSA-N 200.238 -0.366 50 20 BBGD COC(=O)C(=O)NN=Cc1cccn1C 1116195488 IZBIQQBMYNOXIZ-UHFFFAOYSA-N 209.205 -0.352 50 20 BBGD CCOCC(=O)NNc1ccc(C(N)=O)nn1 1319335752 IYFAGZYPHTXNGN-UHFFFAOYSA-N 239.235 -0.945 50 20 BBGD Cn1cc(C(=O)NNC(=O)c2cnco2)cn1 1319529411 PWFJGDFFPAFPFY-UHFFFAOYSA-N 235.203 -0.517 50 20 BBGD CCNC(=O)NNC(=O)c1cnc2n1CCC2 1330232973 AIFXKTAQZBYHGK-UHFFFAOYSA-N 237.263 -0.207 50 20 BBGD CC(=NNC(=O)C(N)=O)c1nc(C)cs1 1331710232 AWRGMJFDJWMVGH-UHFFFAOYSA-N 226.261 -0.223 50 20 BBGD C[C@@H](O)CN(C)NC(=O)CCCn1cncn1 1332148289 LCNHWFIPVCSZJM-SECBINFHSA-N 241.295 -0.598 50 20 BBGD C[C@@H](O)CN(C)NC(=O)c1ccc[n+]([O-])c1 1333347548 NLTIXFJOQMTJBN-MRVPVSSYSA-N 225.248 -0.723 50 20 BBGD CCN(CCO)NC(=O)[C@H](N)CC(C)C 1573777033 HMYBRFRPMFRCAP-SECBINFHSA-N 217.313 -0.295 50 20 BBGD Cc1nccc(C=NNC(=O)NCC(=O)O)n1 1600748976 PPGNJSMAKRTTMN-UHFFFAOYSA-N 237.219 -0.497 50 20 BBGD O=C(CO)NNC(=O)c1cccc(C(=O)O)c1 1608343718 ZXVPWIKWIZYSNJ-UHFFFAOYSA-N 238.199 -0.862 50 20 BBGD CC(C)[C@H](C)C(=O)NNC(=O)C(=O)NC1CC1 171958336 SHAHUCSUAOIVSE-ZETCQYMHSA-N 241.291 -0.296 50 20 BBGD CC[C@@H](C)OCC(=O)NN(C)C(N)=O 182646238 CWYVVERCXYDRGO-ZCFIWIBFSA-N 203.242 -0.157 50 20 BBGD COc1ccc(C(=O)NCB(O)O)cc1OC 195523624 PYEYQJQOSJBKEQ-UHFFFAOYSA-N 239.036 -0.554 50 20 BBGD Cn1cnc(C(=O)NNC(=O)C2CCC2)c1 270427032 NEJNBFHCTILKDQ-UHFFFAOYSA-N 222.248 -0.019 50 20 BBGD CCO/C=C\C(=O)NNC(=O)Cc1cc[nH]n1 493834150 FOERWIDHRWAPFC-XQRVVYSFSA-N 238.247 -0.350 50 20 BBGD OB(O)c1ccc(CNC[C@H]2CCSC2)o1 585038751 LGMLQUPPJSQHFS-MRVPVSSYSA-N 241.121 -0.198 50 20 BBGD CC[C@H](CNCc1ccc(B(O)O)cc1)OC 585041336 NVWIKLDKXSWEEA-GFCCVEGCSA-N 237.108 -0.119 50 20 BBGD O=C(NCB(O)O)c1cccc2c1OCCO2 585061938 NHRMSYCXKUUMOC-UHFFFAOYSA-N 237.020 -0.800 50 20 BBGD CCNC(=O)NNC(=O)CSCC(C)=O 787202621 RUTOAWOFJMRWTO-UHFFFAOYSA-N 233.293 -0.341 50 20 BBGD COC1(CC(=O)NNC(=O)CO)CCC1 792416623 AUGIPKSKUHSBFE-UHFFFAOYSA-N 216.237 -0.915 50 20 BBGD N#Cc1cc(O)cc(C(=O)NNC(=O)CO)c1 809750022 URWWCTSECVJYDS-UHFFFAOYSA-N 235.199 -0.983 50 20 BBGD CC(=O)NCC(C)(C)C(=O)NN(C)[C@H](C)CO 823913346 SBRIJOKMVQXRKR-MRVPVSSYSA-N 245.323 -0.508 50 20 BBGD COCC(=O)NN=C(C)CCC(=O)N(C)OC 834961548 NTBDCQBEOWAUBY-UHFFFAOYSA-N 245.279 -0.075 50 20 BBGD CC[C@H](C#N)C(=O)NNC(=O)N1CCOCC1 845335696 HYLHFVJTCDYVQK-MRVPVSSYSA-N 240.263 -0.391 50 20 BBGD CN(NC(=O)c1ccn2nnnc2c1)C1CC1 854983574 MAHYKRDTRIDBEM-UHFFFAOYSA-N 232.247 -0.137 50 20 BBGD Cc1cc(NNC(=O)[C@@H]2CC[C@@H]2C(N)=O)ncn1 857126932 HFNJDRDXFVQUOT-JGVFFNPUSA-N 249.274 -0.260 50 20 BBGD N#CCN(C(=O)c1cccc(B(O)O)c1)C1CC1 863871218 DTRVANXARPAUBC-UHFFFAOYSA-N 244.059 -0.505 50 20 BBGD CC1(C(=O)NNC(=O)C2CCOCC2)COC1 883068414 STTBPEAWQJDQHA-UHFFFAOYSA-N 242.275 -0.403 50 20 BBGD COc1nn(C)cc1C(=O)NNC(=O)C(C)C 883955811 LLROKKNLQWABDS-UHFFFAOYSA-N 240.263 -0.154 50 20 BBGD COC(=O)C(=O)NNC(=O)NCCC1CC1 1322249188 PPPQNTLBZXNQJR-UHFFFAOYSA-N 229.236 -0.710 50 20 BBGD COCCOC(=O)/C(C#N)=C/c1ncnn1C 1335580988 ILCBULSDVOTRRL-VMPITWQZSA-N 236.231 -0.088 50 20 BBGD Cc1[nH]nc(C=NNC(=O)C(=O)O)c1C 1599967494 QXRAWACWNJPTLU-UHFFFAOYSA-N 210.193 -0.439 50 20 BBGD CO[C@H](C(=O)O)C(=O)NN[C@@H](C)C(F)(F)F 1604433990 IVFSUIVQKMYHEC-IMJSIDKUSA-N 244.169 -0.342 50 20 BBGD O=C(O)/C=C\c1ccc(C=NNC(=O)CO)o1 1776052638 CWOBXRNQSIBELG-BUJZCANNSA-N 238.199 -0.180 50 20 BBGD Cc1cc(C(=O)NNC(=O)CN(C)C)ncn1 131861135 GHPMTIJMJMLTEE-UHFFFAOYSA-N 237.263 -0.892 50 20 BBGD CCCC[C@H](NNC(=O)COC)C(=O)OC 135249718 RGHVGJFHXMMIEV-QMMMGPOBSA-N 232.280 -0.015 50 20 BBGD C[C@@H](O)C(=O)NNc1cc(Cl)nc(N)n1 274909139 IKWDRVALCJFXOI-GSVOUGTGSA-N 231.643 -0.464 50 20 BBGD CCOC(=O)NCCC(=O)NNC(=O)C(C)C 490713625 MPWLRTQFAOJCMX-UHFFFAOYSA-N 245.279 -0.074 50 20 BBGD OB(O)c1ccc(CNC[C@@H]2CC[C@H](O)C2)o1 585037540 BELDPRVNFNTNPG-BDAKNGLRSA-N 239.080 -0.790 50 20 BBGD NC(=O)CNC(=S)NNC(=O)C1CCCC1 727074051 PLYRHRFKZYIUOG-UHFFFAOYSA-N 244.320 -0.843 50 20 BBGD CC(C)CC(=O)NNC(=O)[C@H]1C[C@@H]1C(=O)O 736401178 DJRUVKJBCUUCLJ-BQBZGAKWSA-N 228.248 -0.099 50 20 BBGD O=C(O)[C@H]1C[C@@H]1C(=O)NNc1cccnn1 739547919 NRYDUMLVKCPKCC-WDSKDSINSA-N 222.204 -0.360 50 20 BBGD CCNC(=O)NNC(=O)c1ncccc1O 778588024 BSWBULAWEZFDRI-UHFFFAOYSA-N 224.220 -0.249 50 20 BBGD C[C@H]1CCCC[C@H]1C(=O)NNC(=O)CO 819924427 FJXHNHHZGJKSLY-JGVFFNPUSA-N 214.265 -0.048 50 20 BBGD C=C[C@@](C)(O)C(=O)NNC(=O)c1cnn(C)c1 828087146 DZGWPHXRMBMUJP-SNVBAGLBSA-N 238.247 -0.882 50 20 BBGD CC(CCN(C)C)=NNC(=O)CS(C)(=O)=O 863187033 VLMIXPDPIOTZJK-UHFFFAOYSA-N 249.336 -0.525 50 20 BBGD COCCOCC(=O)NNC(=O)C=C1CCC1 869907926 GQJBZKREWGBIST-UHFFFAOYSA-N 242.275 -0.093 50 20 BBGD CCN(CC(C)=O)C(=O)c1cccc(B(O)O)c1 908393672 KLLLYAKPMDZMBB-UHFFFAOYSA-N 249.075 -0.583 50 20 BBGD CN(NC(=O)CO[C@H]1CCOC1)C1CC1 1118160802 NDKXUFXMSPOMNN-VIFPVBQESA-N 214.265 -0.083 50 20 BBGD CCCNC(=O)NNC(=O)CO[C@@H]1CCOC1 1319063929 CRHSYKPJQVQSSV-MRVPVSSYSA-N 245.279 -0.468 50 20 BBGD COC(=O)N(C)NC(=O)NC[C@@H]1CCOC1 1347189164 NTTTZJGSRMMDDK-ZETCQYMHSA-N 231.252 -0.065 50 20 BBGD O=C(NCCC(F)F)c1cccc(B(O)O)c1 1348234649 DEQFEDRYHKDVIE-UHFFFAOYSA-N 243.018 -0.249 50 20 BBGD C=CC[C@@H](CC)NC(=O)NNC(=O)C(=O)O 1588735537 DDXRYESOYMLWMN-ZCFIWIBFSA-N 229.236 -0.244 50 20 BBGD C=C[C@@H](NNC(=O)c1ccccn1)C(=O)O 1602819161 PDMHNMOCPKQTIE-SSDOTTSWSA-N 221.216 -0.045 50 20 BBGD O=S(=O)(CBr)N1CC[C@@H](O)C1 127438598 YDXFRUUAAHIIOW-RXMQYKEDSA-N 244.110 -0.265 50 20 BBGD CNC(=O)NNC(=O)Cn1cc(Cl)cn1 291619838 ZADHUIMXICMBAP-UHFFFAOYSA-N 231.643 -0.503 50 20 BBGD CCNC(=S)NNC(=O)COCC 308248612 ZSKCOZHWTLJFNY-UHFFFAOYSA-N 205.283 -0.462 50 20 BBGD CN1C(=O)[C@@H]2CCN(C(=O)CCl)C[C@@H]2C1=O 409426051 HJARPLLPKSDVDM-RQJHMYQMSA-N 244.678 -0.312 50 20 BBGD O=C(CCN1CCCC1=O)NNc1cnccn1 734245639 YYZSFCPKNHHDQG-UHFFFAOYSA-N 249.274 -0.068 50 20 BBGD O=C(O)NCCCC(=O)NNC(=O)NC1CC1 739956625 IIYNJYWWQSEUFR-UHFFFAOYSA-N 244.251 -0.473 50 20 BBGD O=C(NNC(=O)N1CCOCC1)[C@H]1CCOC1 746519037 BJUBCMJYEVNSTO-QMMMGPOBSA-N 243.263 -0.904 50 20 BBGD CCOCCO[C@@H](C)C(=O)NN(C)C(N)=O 770439619 PDMJTJWPWIDEFH-ZETCQYMHSA-N 233.268 -0.530 50 20 BBGD COCC(=O)NNC(=O)Nc1ccnn1C 775751345 AHXURVATYCDXAQ-UHFFFAOYSA-N 227.224 -0.781 50 20 BBGD CC(=O)NNC(=O)c1cccc(CO)c1 798272327 MDSAEGSOGKIMBN-UHFFFAOYSA-N 208.217 -0.040 50 20 BBGD O=C(CO)NNC(=O)[C@@H]1CCc2ccccc2C1 846636701 PMFQHJHMJKRPHR-LLVKDONJSA-N 248.282 -0.069 50 20 BBGD C[C@H](O)CN(C)NC(=O)Cc1ccon1 910163003 NCFDSNPHFGTRJC-ZETCQYMHSA-N 213.237 -0.439 50 20 BBGD COCC(=O)NNC(=S)N[C@H](C)COC 913514876 UARHYGOPTDCFMY-ZCFIWIBFSA-N 235.309 -0.837 50 20 BBGD Cc1nn[nH]c1C(=O)NNC(=S)NC(C)C 1321007212 HVQNXJMZGQTCMM-UHFFFAOYSA-N 242.308 -0.370 50 20 BBGD CC(=O)NNC(=O)[C@@H](C)[C@@H]1CCC(=O)N1 1329711219 VXTUYVLJPSHPRE-FSPLSTOPSA-N 213.237 -0.932 50 20 BBGD C[C@@H](N)CC(=O)NNC(=O)NC1CC1 1579401465 ZYGJKYRPGSTGTI-RXMQYKEDSA-N 200.242 -0.784 50 20 BBGD CNC(=S)N(C)NC(=O)[C@@H](C)C(=O)O 1593797435 HQYSXXDCGNOCOK-SCSAIBSYSA-N 219.266 -0.826 50 20 BBGD COc1ccnc(NNC(=O)CCC(=O)O)n1 1594150997 UBTCLTIOFBHTAE-UHFFFAOYSA-N 240.219 -0.207 50 20 BBGD O=C(CCl)N1CC[C@@](O)(C(=O)O)C1 1601299073 USULZQKXWRICRU-ZETCQYMHSA-N 207.613 -0.727 50 20 BBGD O=C(CO)NNC(=O)c1cccc2cc[nH]c12 180960920 QJDDCUSZBVCQEE-UHFFFAOYSA-N 233.227 -0.079 50 20 BBGD CC[C@@H](C#N)NC(=O)c1cccc(B(O)O)c1 584937045 PWQLLBIXJOEWJW-JTQLQIEISA-N 232.048 -0.602 50 20 BBGD C[C@@H]1COCC[C@@H]1NCc1ccc(B(O)O)o1 585038212 WKZBEAMMWCVWKT-SCZZXKLOSA-N 239.080 -0.526 50 20 BBGD CCC(=O)N[C@@H](C)C(=O)NNc1cccnn1 736698158 BUJYJAONECWJMR-ZETCQYMHSA-N 237.263 -0.166 50 20 BBGD Cc1nc(C(=O)NNC(=O)C2CCC2)no1 766506261 CZVLWXGATXQFAL-UHFFFAOYSA-N 224.220 -0.061 50 20 BBGD CCOCCO[C@H](C)C(=O)NN(C)C(N)=O 770439618 PDMJTJWPWIDEFH-SSDOTTSWSA-N 233.268 -0.530 50 20 BBGD CCC[C@@H](O)CC(=O)NN(C)C(N)=O 778412254 OFZNCKXDOSMEQA-ZCFIWIBFSA-N 203.242 -0.421 50 20 BBGD CC[C@H](NNC(=O)c1cnccn1)C(=O)OC 790445905 JWROMBQTNSUQGR-ZETCQYMHSA-N 238.247 -0.337 50 20 BBGD Cc1nc(C(=O)NNC(=O)C(C)(C)C)n(C)n1 791425499 DAVXNSZGCVSLKQ-UHFFFAOYSA-N 239.279 -0.069 50 20 BBGD COC(=O)CNC(=O)NN=C1C(=O)OC[C@@H]1C 794929661 WSHZPGUEHSLBDM-YFKPBYRVSA-N 243.219 -0.993 50 20 BBGD CCO[C@H](C)C(=O)NN(CC)CCO 823846197 FEBOTBSPDYRSCX-MRVPVSSYSA-N 204.270 -0.243 50 20 BBGD COCC1(CC(=O)NNC(=O)CN(C)C)CC1 844132954 PJDPGUMWYMHTPP-UHFFFAOYSA-N 243.307 -0.488 50 20 BBGD CCNC(=O)CNC(=O)NNc1ccncn1 852520509 JCRORDAUIMSKEI-UHFFFAOYSA-N 238.251 -0.761 50 20 BBGD Cc1cc(C)cc(CC(=O)NNC(=O)CO)c1 857168726 CJMKXXIANPVEAZ-UHFFFAOYSA-N 236.271 -0.014 50 20 BBGD C[C@H](O)CN(C)NC(=O)CCC(C)(C)O 910158949 GKHGWDFRICJALX-QMMMGPOBSA-N 218.297 -0.119 50 20 BBGD CO[C@]1(C(=O)NN(C)C[C@H](C)O)CCSC1 910181523 CCYMHEPJJKCERR-WCBMZHEXSA-N 248.348 -0.148 50 20 BBGD O=C(NCC(F)F)C(=O)NNC(=O)C1CCC1 1326439380 KNNGZIBPQPCGCK-UHFFFAOYSA-N 249.217 -0.685 50 20 BBGD CCOc1cc(C(=O)NNC(=O)OC)[nH]n1 1329266391 CDWOLOCLBVVDGW-UHFFFAOYSA-N 228.208 -0.191 50 20 BBGD COC(=O)N(C)NC(=O)c1cc(=O)n(C)cn1 1348953620 VPSHDCCFVIPRAN-UHFFFAOYSA-N 240.219 -0.877 50 20 BBGD COc1ccc(C=NNC(=O)C(=O)O)cc1O 1599544723 WPPBORNDDKMMBS-UHFFFAOYSA-N 238.199 -0.065 50 20 BBGD C[C@@H](C(=O)O)C(=O)NNC(=O)[C@@H]1CCCCO1 1609701312 YYICGDHMRFBSBE-RQJHMYQMSA-N 244.247 -0.576 50 20 BBGD Cc1n[nH]cc1C(=O)NNC(=O)c1cc[nH]n1 110758283 DOULWISETWZKED-UHFFFAOYSA-N 234.219 -0.484 50 20 BBGD O=C(CO)NNC(=O)Nc1ccsc1 186537890 MQGSVPUUEYCAPB-UHFFFAOYSA-N 215.234 -0.107 50 20 BBGD CC(C)(C)C(=O)NNC(=O)CN1CCCC1=O 193652707 PRIMXTJNANMPPH-UHFFFAOYSA-N 241.291 -0.198 50 20 BBGD Cc1ccsc1C=NNC(=O)C(N)=O 254625048 WQJBRMHQEDHZLR-UHFFFAOYSA-N 211.246 -0.008 50 20 BBGD CC(C)CC(=O)NNC(=O)c1cnn(C)n1 284681235 ZYZGHUICJUCFHP-UHFFFAOYSA-N 225.252 -0.378 50 20 BBGD COC(=O)N(C)NC(=O)c1[nH]c(O)nc1C 496329932 RIXJNLIPXYBPOA-UHFFFAOYSA-N 228.208 -0.233 50 20 BBGD CC1(C)C[C@@H]1NC(=O)c1ccc(B(O)O)cc1 584934085 OYUHKZHTVFEBHX-JTQLQIEISA-N 233.076 -0.105 50 20 BBGD C[C@H]1C[C@@H]1CNCc1ccc(B(O)O)o1 585016068 QZBXNZUWQAKCFS-JGVFFNPUSA-N 209.054 -0.295 50 20 BBGD OC[C@H]1C=C[C@@H](NCc2cccc(B(O)O)c2)C1 585035073 XXSAXOOMBVIPEG-WCQYABFASA-N 247.103 -0.607 50 20 BBGD O=C(CCOc1ccccc1)NCB(O)O 585056839 YBHPFAXTBKNIIS-UHFFFAOYSA-N 223.037 -0.416 50 20 BBGD CCCCO[C@@H](C)C(=O)NCB(O)O 585061900 LQXUXUXMGLHRBG-ZETCQYMHSA-N 203.047 -0.680 50 20 BBGD CN(C)C(=O)NNC(=O)c1ccc(O)nc1 746008257 KDHCSOFELNWTBS-UHFFFAOYSA-N 224.220 -0.297 50 20 BBGD CCC(=O)NNS(=O)(=O)c1cncc(F)c1 749151950 MUTAULSEHSKUNX-UHFFFAOYSA-N 247.251 -0.060 50 20 BBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)CC 771888910 IKYLJGSYVVPEHH-LURJTMIESA-N 216.237 -0.115 50 20 BBGD O=C(CO)NN=C(CO)c1ccc(F)cc1F 776777240 MQEWIWFDUCGNBX-UHFFFAOYSA-N 244.197 -0.230 50 20 BBGD CCNC(=O)N(C)NC(=O)[C@H]1CCN(C)C1 780712734 WQNMCNYJXFFZAP-QMMMGPOBSA-N 228.296 -0.369 50 20 BBGD Cn1cnc(C(=O)NNC(=O)c2ccc[nH]2)n1 809972025 POUYRQLHKSOCHF-UHFFFAOYSA-N 234.219 -0.782 50 20 BBGD CCn1cc(C(=O)NN(C)[C@@H](C)CO)nn1 823384795 UWFGASZMCCRLLR-ZETCQYMHSA-N 227.268 -0.745 50 20 BBGD CCN(CCO)NC(=O)C(C)(C)NC(=O)OC 823856333 PTAQYDVERSJQHC-UHFFFAOYSA-N 247.295 -0.534 50 20 BBGD CCOC(=O)C(C)(C)C(=O)NN(CC)CCO 823869982 ULNGCMDAEWLLBE-UHFFFAOYSA-N 246.307 -0.079 50 20 BBGD CCN(CCO)NC(=O)[C@H](O)C(C)C 823884995 RKHNFCNEXYCKHA-MRVPVSSYSA-N 204.270 -0.651 50 20 BBGD C[C@H](CO)N(C)NC(=O)c1csc(CO)n1 823918031 QLAIEROTHDHJMO-ZCFIWIBFSA-N 245.304 -0.407 50 20 BBGD CCCNC(=O)NNC(=O)[C@H]1CC[C@H]1C(N)=O 847392999 CBNASKPFSNEBRF-RQJHMYQMSA-N 242.279 -0.762 50 20 BBGD C[C@H](NNC(=O)Cn1cnnn1)C(F)(F)F 862305957 ZRAWSQHALXVVNG-BYPYZUCNSA-N 238.173 -0.755 50 20 BBGD CNC(=O)NNC(=O)c1ccc2nn[nH]c2c1 919877704 OFYHZRITRBTALK-UHFFFAOYSA-N 234.219 -0.468 50 20 BBGD COC(=O)C(=O)NNC(=O)NCC(C)C 1252447050 FACPMKZOVPBODN-UHFFFAOYSA-N 217.225 -0.854 50 20 BBGD CCn1cc(C(=O)NNc2nc[nH]n2)cn1 1326345186 VZOIRHPBDPFKJH-UHFFFAOYSA-N 221.224 -0.222 50 20 BBGD Cc1nc(CC(=O)NNC(=O)NC(C)C)n[nH]1 1333924758 UIRYKZMYNGHZRD-UHFFFAOYSA-N 240.267 -0.606 50 20 BBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)CC1COC1 1335028198 AWAVDCRKSAYTMD-CBAPKCEASA-N 242.275 -0.405 50 20 BBGD C#CCCNC(=O)NNC(=O)C1CCOCC1 1349786837 IEWOHOSNTUJTGI-UHFFFAOYSA-N 239.275 -0.233 50 20 BBGD CN(NC(=O)c1ccc(-c2nn[nH]n2)[nH]1)C1CC1 1591154256 KCDNMFZFFIHTEX-UHFFFAOYSA-N 247.262 -0.066 50 20 BBGD O=C(NC[C@@H]1CCC=CO1)NNC(=O)C(=O)O 1601481889 FXKYRKSVRNMLKA-LURJTMIESA-N 243.219 -0.906 50 20 BBGD O=C(CCl)N=c1cc[nH]cc1-c1nn[nH]n1 1606535598 ZKNPADFFUNCKMW-UHFFFAOYSA-N 238.638 -0.139 50 20 BBGD CNC(=O)NNC(=O)c1cccc(C(=O)O)n1 1610141067 SWZKUSNEKIZDAW-UHFFFAOYSA-N 238.203 -0.646 50 20 BBGD O=C(CO)NNC(=O)CC1CCCC1 180958234 CVYDGESMHHIHBN-UHFFFAOYSA-N 200.238 -0.294 50 20 BBGD C[C@@H](Cl)C(=O)N1C[C@H]2C(=O)NC(=O)[C@H]2C1 306523771 UZPQTUBEFLSKRU-PBXRRBTRSA-N 230.651 -0.655 50 20 BBGD C[C@@H](O)CCCOc1ccc(B(O)O)cc1 584910213 OMXPSJFYPBHRIZ-SECBINFHSA-N 224.065 -0.094 50 20 BBGD C[C@H]1SCC[C@@H]1NCc1ccc(B(O)O)o1 585048793 WSRJPOCBWOKORQ-APPZFPTMSA-N 241.121 -0.057 50 20 BBGD CN(C)C(=O)NNC(=O)C[C@H]1CCCO1 746001760 VLONLNRGRKCHQC-SSDOTTSWSA-N 215.253 -0.142 50 20 BBGD O=C(NNC(=O)[C@]1(O)CCSC1)NC1CC1 765674648 FVSZPQMGAAUBJG-VIFPVBQESA-N 245.304 -0.653 50 20 BBGD CCNC(=O)CC(=O)NNC(=O)NC(C)C 780915279 LMRIVVIKKNLXGI-UHFFFAOYSA-N 230.268 -0.749 50 20 BBGD CNC(=O)NNC(=O)[C@](C)(OC)C1CC1 813420258 HVRWHOXMBNULGE-SECBINFHSA-N 215.253 -0.238 50 20 BBGD CNC(=O)NCC(=O)NN(C)C1CC1 819650577 SFLSJBFPADAJPS-UHFFFAOYSA-N 200.242 -0.959 50 20 BBGD CC(=O)NCC(C)(C)C(=O)NNC(=O)C(C)C 845084799 OCHCDWGLUZGEGV-UHFFFAOYSA-N 243.307 -0.048 50 20 BBGD CCNC(=O)N(C)NC(=O)[C@@H]1CC[C@H]1C(N)=O 847686700 ICBVVZASRGAAOK-RNFRBKRXSA-N 242.279 -0.810 50 20 BBGD CNC(=O)NNC(=O)[C@H]1[C@H]2C(=O)CC[C@H]21 906393828 MKFXQVWGOYRDHF-QPPQHZFASA-N 211.221 -0.828 50 20 BBGD Cc1nccc(C(=O)NN(C)C[C@@H](C)O)n1 910171469 XZHZCGMYSFCLLG-SSDOTTSWSA-N 224.264 -0.258 50 20 BBGD C[S@](=O)CCNC(=O)NNc1cccnn1 1251971771 CRMLQIDICOXBLK-INIZCTEOSA-N 243.292 -0.519 50 20 BBGD CCO/C=C(/C#N)C(=O)NCc1nnn(C)n1 1321102351 YXVMPGVSFMPSPK-SREVYHEPSA-N 236.235 -0.730 50 20 BBGD CNC(=O)C1(C(=O)NNc2ncccn2)CC1 1321487718 IAQZNJCEGBFQQC-UHFFFAOYSA-N 235.247 -0.554 50 20 BBGD CCn1ncnc1C=NNC(=O)C(C)(C)O 1327132349 YRVVOOSNOAWPGB-UHFFFAOYSA-N 225.252 -0.481 50 20 BBGD O=C(CC1CC1)NNC(=O)[C@@H]1CCNC1=O 1334433449 IPDCBQZCCSILEI-SSDOTTSWSA-N 225.248 -0.930 50 20 BBGD CC(=O)NC(C)(C)C(=O)NNC(=O)N(C)C 1338346882 JOAOACFZJLBARI-UHFFFAOYSA-N 230.268 -0.797 50 20 BBGD NC(=O)c1cccc(C=NNC(=O)C(=O)O)c1 1601169184 PBVPPANLJSSXRR-UHFFFAOYSA-N 235.199 -0.680 50 20 BBGD O=C(O)CNC(=O)NN=C1CCCOC1 1608754035 AKQHFYMQKPWOGM-UHFFFAOYSA-N 215.209 -0.463 50 20 BBGD O=C(CO)NN=Cc1cccc(F)c1C(=O)O 1776052855 YFXDIKYWXVHAHC-UHFFFAOYSA-N 240.190 -0.034 50 20 BBGD CC[C@@H](NS(=O)(=O)CCCCl)C(N)=O 382305490 VARHMAKKPIJTGJ-ZCFIWIBFSA-N 242.728 -0.201 50 20 BBGD C[C@@H](NCc1ccccc1B(O)O)C1(CO)CC1 585047408 ORYAVTUWXJKXDE-SNVBAGLBSA-N 249.119 -0.383 50 20 BBGD CCNC(=O)CC(=O)NNC(=O)C1CCC1 780936803 DGLRHMSMQCTHKS-UHFFFAOYSA-N 227.264 -0.540 50 20 BBGD COC[C@H](C)[C@H](C)C(=O)NNC(=O)CN(C)C 812497024 SVTSQZKULQKZRS-IUCAKERBSA-N 245.323 -0.386 50 20 BBGD COCCN(C)NC(=O)c1ccc(C(N)=O)[nH]1 857253199 IRKBYQPLORSTFW-UHFFFAOYSA-N 240.263 -0.663 50 20 BBGD O=C1N[C@H](C(=O)NNC(=O)C2CCC2)CCO1 859329008 XIRFEHUBPOKUFW-ZETCQYMHSA-N 241.247 -0.568 50 20 BBGD CC[C@@H](O)[C@@H](C)C(=O)NNC(=O)NC 900353283 PLBNPKNQSDXOHH-PHDIDXHHSA-N 203.242 -0.646 50 20 BBGD C[C@@H](O)CN(C)NC(=O)c1ncccc1O 910159776 JWJWULZRRMPXBL-SSDOTTSWSA-N 225.248 -0.255 50 20 BBGD C[C@H](O)CN(C)NC(=O)c1cncnc1 910161226 SQKKSLQCJBBDGT-ZETCQYMHSA-N 210.237 -0.566 50 20 BBGD NC(=O)C(=O)NN=Cc1ccc2oncc2c1 1117702426 XBIAZMKPTVSULD-UHFFFAOYSA-N 232.199 -0.237 50 20 BBGD Cn1nc(CNC(=O)NN)cc1C1CC1 1120567882 RPTDUGNBNTYOQG-UHFFFAOYSA-N 209.253 -0.030 50 20 BBGD CC[C@@H](F)C(=O)NNC(=O)N1CCN(C)CC1 1120647548 GNMNKDFDJXHTQY-MRVPVSSYSA-N 246.286 -0.277 50 20 BBGD CC(=O)NNC(=O)CC1(CS(C)(=O)=O)CC1 1320266857 BMJAEKJBXZZIOR-UHFFFAOYSA-N 248.304 -0.631 50 20 BBGD Cc1nc(O)[nH]c1C(=O)NNC(=O)C1CC1 1326777344 MHGLPHMHORTNQZ-UHFFFAOYSA-N 224.220 -0.405 50 20 BBGD CCn1cnc(C(=O)NNC(=O)N(C)C)c1 1328744361 FPIKDAIXTXKIHX-UHFFFAOYSA-N 225.252 -0.181 50 20 BBGD CN(NC(=O)c1cn2c(n1)CCCC2)C(N)=O 1333720016 UTRGIAYAXZEMQU-UHFFFAOYSA-N 237.263 -0.125 50 20 BBGD NC[C@@H](O)CC(=O)NNc1ccnc(Cl)c1 1580232207 YMLLBAVGIOZLAD-ZETCQYMHSA-N 244.682 -0.112 50 20 BBGD CC(C)NC(=O)NNC(=O)c1cnns1 49467679 PMBJWNWVUFMJGY-UHFFFAOYSA-N 229.265 -0.110 50 20 BBGD O=C(CN1CCCC1=O)NNC(=O)NC1CC1 138662871 AWFCZWAUJRCLTA-UHFFFAOYSA-N 240.263 -0.898 50 20 BBGD CC(=O)n1ccc2c(B(O)O)cncc21 170027785 OJXNAYCFRLUIGK-UHFFFAOYSA-N 203.994 -0.624 50 20 BBGD CN(NC(=O)C(=O)OC(C)(C)C)C(N)=O 274026644 AELOVYGIMFPISO-UHFFFAOYSA-N 217.225 -0.630 50 20 BBGD O=C(NNC(=O)C1CC1)c1ccc2nncn2c1 299645400 YYDWNXSVZATTHO-UHFFFAOYSA-N 245.242 -0.100 50 20 BBGD CNC(=O)NN=C1CCS(=O)CC1 306428759 ACMXQERTGHURGU-UHFFFAOYSA-N 203.267 -0.186 50 20 BBGD NC1(C(=O)NNC(=O)c2ccc[nH]2)CC1 309538861 GBOIUJWFEVVKHS-UHFFFAOYSA-N 208.221 -0.733 50 20 BBGD COC(=O)NNC(=O)[C@H](C)OC[C@H]1CCCO1 495449684 YYPQTJQUHOMEEA-JGVFFNPUSA-N 246.263 -0.042 50 20 BBGD COC(=O)N(C)NC(=O)C1(OC)CCOCC1 495764190 VMPWMBSXRMAGAZ-UHFFFAOYSA-N 246.263 -0.089 50 20 BBGD CO[C@@H](C)[C@@H](C)NCc1ccc(B(O)O)o1 585041849 WIFKFKMSRCARGQ-SFYZADRCSA-N 227.069 -0.528 50 20 BBGD CCOCCCC(=O)N1CC[C@H](B(O)O)C1 585074995 FDZNXKGRKHZVHK-VIFPVBQESA-N 229.085 -0.122 50 20 BBGD CCn1nccc1CN1CC[C@H](B(O)O)C1 585076893 QSXRBPCQHQIQNX-VIFPVBQESA-N 223.085 -0.048 50 20 BBGD CCCCNC(=O)NNC(=O)[C@@H]1C[C@@H]1C(=O)O 736999234 UMRSOOZKEXLBPU-RQJHMYQMSA-N 243.263 -0.162 50 20 BBGD CNC(=O)NNC(=O)[C@H](O)C(C)(C)C 764876171 ZEKHNLKPQGLIKG-YFKPBYRVSA-N 203.242 -0.646 50 20 BBGD CC(C)(O)C(=O)NNC(=O)c1ccc(O)nc1 768245702 USLXNZIMXIFIMV-UHFFFAOYSA-N 239.231 -0.681 50 20 BBGD O=C(CO)NN=C1CCCc2nc(O)ccc21 776779381 JVANREDZYCKDMX-UHFFFAOYSA-N 235.243 -0.064 50 20 BBGD CO[C@@H](C(=O)NNC(=O)C1CC1)C1CC1 792014470 IKNWTERVWKFRLR-MRVPVSSYSA-N 212.249 -0.031 50 20 BBGD C=C[C@](C)(O)CC(=O)NN(C)C(N)=O 798302089 MYTBFJUPWSIYJI-QMMMGPOBSA-N 201.226 -0.645 50 20 BBGD COCCN(C)NC(=O)c1cc(OC)no1 808074552 YZEXLPWATMRFMR-UHFFFAOYSA-N 229.236 -0.094 50 20 BBGD C[C@H](CO)N(C)NC(=O)Cc1cncc(O)c1 823924052 XUFWABUFAAFSTG-MRVPVSSYSA-N 239.275 -0.327 50 20 BBGD CCOC(=O)NNC(=O)[C@H](COC)OC 854163515 XUGRYZQITPECPR-LURJTMIESA-N 220.225 -0.575 50 20 BBGD O=C(NNC(=O)C1(O)CCC1)c1cc[nH]n1 855356468 MULJYOWLWBRSHS-UHFFFAOYSA-N 224.220 -0.914 50 20 BBGD Cc1cc(=NNC(=O)C2(C(N)=O)CC2)cc[nH]1 862511625 VTTHWDSFLOGSMM-UHFFFAOYSA-N 234.259 -0.479 50 20 BBGD C/C=C(/CC)C(=O)NNC(=O)CS(C)(=O)=O 863465209 XJIAYKYFTXRJMO-DAXSKMNVSA-N 248.304 -0.465 50 20 BBGD CCC[C@H](OCC)C(=O)NNC(=O)CO 863903579 LUVLHZQEDFLILI-ZETCQYMHSA-N 218.253 -0.669 50 20 BBGD CCOC(C)(C)C(=O)NNC(=O)c1cc[nH]n1 869240376 ZVZQQMVDGVQWCP-UHFFFAOYSA-N 240.263 -0.014 50 20 BBGD CC(=O)NC(C)(C)C(=O)NN(C)C[C@H](C)O 910166259 UJCIWWFJYISJHB-ZETCQYMHSA-N 231.296 -0.755 50 20 BBGD C[C@@H](O)CN(C)NC(=O)c1cnn2cccnc12 910174144 RANJYGLIGHLWOV-MRVPVSSYSA-N 249.274 -0.313 50 20 BBGD CCCNC(=O)NNC(=O)c1cnnn1CC 1117706754 NSRXHSCOIPZONO-UHFFFAOYSA-N 240.267 -0.348 50 20 BBGD O=C(CCN1CCCC1=O)NNc1nc[nH]n1 1117722429 WMXASMIEBCCLSF-UHFFFAOYSA-N 238.251 -0.740 50 20 BBGD O=C(CCc1ccc(O)nc1)NNc1nc[nH]n1 1117760325 VFXSKQLZQKXIRE-UHFFFAOYSA-N 248.246 -0.019 50 20 BBGD C[C@H](O)CN(C)NC(=O)C[C@H]1CCOC1 1119644835 MNSKKNFEADJOLE-DTWKUNHWSA-N 216.281 -0.243 50 20 BBGD Cn1ccc(C(=O)NNc2cccnn2)cc1=O 1254590955 KCOUJIGBWCHPIJ-UHFFFAOYSA-N 245.242 -0.068 50 20 BBGD CC(C)C(=O)NNC(=O)c1cc[n+]([O-])cc1 1317704468 HZUMHXXYSNPALD-UHFFFAOYSA-N 223.232 -0.263 50 20 BBGD CN(C)C(=O)NN=C1CCN(C(N)=O)CC1 1318043110 LZHALKDDSBCGHE-UHFFFAOYSA-N 227.268 -0.212 50 20 BBGD COC(=O)C(=O)NN=C1CCOC[C@@H]1C 1321234888 AZHPQNTWRJCBQV-LURJTMIESA-N 214.221 -0.312 50 20 BBGD COC(=O)NNC(=O)c1cnn(CCF)c1 1323033502 GOJIPEOQEPMBPR-UHFFFAOYSA-N 230.199 -0.147 50 20 BBGD CC(C)ONC(=O)NNC(=O)c1cn[nH]c1 1329193718 OMFPUDXOUAWPFC-UHFFFAOYSA-N 227.224 -0.306 50 20 BBGD O=C(NNC(=O)C1(F)CCNCC1)C1CC1 1580732708 GWCDTOSMNAZILY-UHFFFAOYSA-N 229.255 -0.365 50 20 BBGD CCC(CC)(C(=O)O)C(=O)NNC(=O)NC 1589475840 MWGMZFPNMRZVDI-UHFFFAOYSA-N 231.252 -0.162 50 20 BBGD O=C(CNCC(F)(F)F)NNC(=O)C1CC1 68510086 XKPRIPMJFAIRPY-UHFFFAOYSA-N 239.197 -0.304 50 20 BBGD CCC(=O)NNC(=O)[C@@H](C)N(CC)CCO 111200505 JQKNKZLHQBWSGE-MRVPVSSYSA-N 231.296 -0.754 50 20 BBGD CC(=O)NNC(=O)CN1CCC(C)CC1 170685787 ULYUOFHYCGSNFI-UHFFFAOYSA-N 213.281 -0.114 50 20 BBGD O=C(CO)NNC(=O)Nc1ccccc1F 186423192 VYDGFCAYOMRQCL-UHFFFAOYSA-N 227.195 -0.029 50 20 BBGD C[S@](=O)CCCNS(=O)(=O)CCl 229364512 YUHMQUOMIKOUGO-NSHDSACASA-N 233.742 -0.129 50 20 BBGD CC(C)[C@H](O)C(=O)NNC(=O)c1ccc[nH]1 291382753 BFJIUUSNDIAGBB-QMMMGPOBSA-N 225.248 -0.207 50 20 BBGD CCc1nc(COc2ccc(B(O)O)cc2)no1 584910016 VRTLARXPQNJOFV-UHFFFAOYSA-N 248.047 -0.109 50 20 BBGD Cc1cc2c(cc1C)O[C@@H](C(=O)NCB(O)O)C2 585060407 QNIUBRFAOJAZSA-LLVKDONJSA-N 249.075 -0.265 50 20 BBGD O=C(NNS(=O)(=O)c1cn[nH]c1)C1CCC1 732048020 QAJXCEJNUHGGFJ-UHFFFAOYSA-N 244.276 -0.481 50 20 BBGD C#CC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 753887405 IGFCTBVAMWXHFT-JTQLQIEISA-N 246.222 -0.393 50 20 BBGD CC(C)C(=O)NNC(=O)c1cn(C)cn1 758090268 PATCPOSBBKJAST-UHFFFAOYSA-N 210.237 -0.163 50 20 BBGD CC[C@@H](C)NC(=S)NNC(=O)COC 761839026 RAUSAOMHSIUNTC-ZCFIWIBFSA-N 219.310 -0.073 50 20 BBGD COC(=O)N(C)NC(=O)c1cnc(OC)nc1 804124065 ZFPAUHGLDKGWSL-UHFFFAOYSA-N 240.219 -0.172 50 20 BBGD COC[C@@H](C)[C@H](C)C(=O)NNC(=O)CN(C)C 812497019 SVTSQZKULQKZRS-BDAKNGLRSA-N 245.323 -0.386 50 20 BBGD CCN(CCO)NC(=O)CCNC(=O)OC 823856326 PPPDZTOAYLWFTL-UHFFFAOYSA-N 233.268 -0.922 50 20 BBGD Cn1cc(C(=O)NNC(=O)c2cnccn2)cn1 841703779 ZUKMYIXBDYDTEO-UHFFFAOYSA-N 246.230 -0.715 50 20 BBGD CCC[C@](C)(O)C(=O)NNC(=O)c1cn[nH]c1 862472564 MWICJJAHIAVHCO-JTQLQIEISA-N 240.263 -0.278 50 20 BBGD C[C@H](O)CN(C)NC(=O)C1(CN(C)C)CC1 910139585 BGPXVEDTWLFBSM-VIFPVBQESA-N 229.324 -0.328 50 20 BBGD CNC(=O)NNC(=S)NC[C@@H]1CCOC1 1320027891 MTEBKGVFAXXHDW-LURJTMIESA-N 232.309 -0.669 50 20 BBGD CCn1ccc(C(=O)NN(C)C(N)=O)n1 1326385831 RFUHKUNHKJATAS-UHFFFAOYSA-N 211.225 -0.442 50 20 BBGD CO[C@@H](C)CC(=O)NNc1cnnn1C 1331393628 PGVMKXORWDXSCQ-LURJTMIESA-N 213.241 -0.317 50 20 BBGD CC(C)[C@@H](NC(=O)NNC(=O)C(=O)O)C1CC1 1591013428 PYVJXJBQXNTEFT-SSDOTTSWSA-N 243.263 -0.164 50 20 BBGD CC(=O)NNC(=O)[C@H](C(=O)O)C(C)C 1602760933 RNTPLNUGZQCZRX-ZCFIWIBFSA-N 202.210 -0.490 50 20 BBGD O=C(Cn1cncn1)NNC(=O)NCC1CC1 49166493 YNTRJJGSORKKOY-UHFFFAOYSA-N 238.251 -0.982 50 20 BBGD COCC(=O)NNC(=O)c1ccc(C#N)cc1 61474845 UDINYKOWTUDLKW-UHFFFAOYSA-N 233.227 -0.034 50 20 BBGD CCOCC(=O)NNC(=O)NC(C)C 68810086 DNWXVUVWQXWKIE-UHFFFAOYSA-N 203.242 -0.238 50 20 BBGD O=C(CO)NNC(=O)Nc1ccc(Cl)cn1 132695539 UUHHJQGTWCFDOF-UHFFFAOYSA-N 244.638 -0.120 50 20 BBGD CCC[C@@](C)(O)CNCc1ccc(B(O)O)o1 585024127 QQGHTZNSYGXTNW-LLVKDONJSA-N 241.096 -0.400 50 20 BBGD C[C@H](C(=O)NNC(=O)C(=O)NC1CC1)C1CC1 747905673 JBGTWGOGQCKVDD-LURJTMIESA-N 239.275 -0.542 50 20 BBGD O=C(CO)NNC(=O)c1scnc1Cl 753436668 BHJZXJXNTZOOLY-UHFFFAOYSA-N 235.652 -0.450 50 20 BBGD Cc1cc(NNC(=O)[C@@H]2CCNC(=O)C2)ncn1 754469073 YDBYFZNETVBSJJ-MRVPVSSYSA-N 249.274 -0.246 50 20 BBGD CO[C@H](C)C(C)=NNC(=O)C(=O)NC1CC1 763151736 APMIDJGAMMGLTC-SSDOTTSWSA-N 227.264 -0.208 50 20 BBGD C[C@@H](O)C(=O)NNC(=O)c1ccccn1 765460952 YQAQRWUZSGFRRP-ZCFIWIBFSA-N 209.205 -0.777 50 20 BBGD COC(=O)CNC(=O)NN=C1C[C@H](C)N(C)C1 779822916 IOSGNSMQCIMISL-ZETCQYMHSA-N 242.279 -0.461 50 20 BBGD CC(C)(O)C(=O)NNC(=O)c1ccon1 787947300 NTFPGDLXTLGABH-UHFFFAOYSA-N 213.193 -0.794 50 20 BBGD Cn1ccc(C=NNC(=O)Cc2cc[nH]n2)n1 814954174 AFBZPUZIMVLDHM-UHFFFAOYSA-N 232.247 -0.164 50 20 BBGD COc1ccc(CC(=O)NNc2nc[nH]n2)nc1 816632247 ZYZVLTORIMODIS-UHFFFAOYSA-N 248.246 -0.106 50 20 BBGD CCOCCO[C@H](C)C(=O)NN(C)[C@H](C)CO 823965590 PQDDIWHTFCFVEX-NXEZZACHSA-N 248.323 -0.228 50 20 BBGD CC(C)C(=O)NNC(=O)[C@@H](C)[C@H]1CCC(=O)N1 858143618 PESNZTLYHWBXQA-JGVFFNPUSA-N 241.291 -0.296 50 20 BBGD CC(C)[C@H](NC=O)C(=O)NNC(=O)N(C)C 858907799 RDRJTCASTWSCFC-ZETCQYMHSA-N 230.268 -0.941 50 20 BBGD C#C[C@H](C)N(C)C(=O)c1cccc(B(O)O)c1 863882394 ZGVLCVCEVZMPQC-VIFPVBQESA-N 231.060 -0.540 50 20 BBGD C#C[C@H](C)NCc1ccccc1B(O)O 863890436 UMAKTNBXRGBCFM-VIFPVBQESA-N 203.050 -0.522 50 20 BBGD C[C@H](O)CN(C)NC(=O)Cc1ccn(C)n1 910146306 IJKKDXWZXDOHIU-QMMMGPOBSA-N 226.280 -0.694 50 20 BBGD Cc1nc(C)c(C(=O)NN(C)[C@@H](C)CO)[nH]1 911444293 CYAIAUPYKSVLDQ-LURJTMIESA-N 226.280 -0.016 50 20 BBGD CC(=O)N(C)CC(=O)NNC(=O)C1CC1 1115893962 KBYGWFHARTZELU-UHFFFAOYSA-N 213.237 -0.978 50 20 BBGD COC(=O)NNC(=O)c1cccc(=O)n1C 1116630522 YZCNCXZJQUWENA-UHFFFAOYSA-N 225.204 -0.614 50 20 BBGD O=C(NNC(=O)C1CCOCC1)NC1CC1 1317992482 FBKZROBBNNMTEO-UHFFFAOYSA-N 227.264 -0.094 50 20 BBGD CC(C)NC(=O)C(=O)NN=Cc1cnn(C)c1 1321543936 GZLIJUVDWPXXJW-UHFFFAOYSA-N 237.263 -0.605 50 20 BBGD COCCNC(=O)/C(C#N)=C\c1cnnn1C 1322368115 VAGCOURRCDMYDV-YVMONPNESA-N 235.247 -0.515 50 20 BBGD O=C(NNc1nc[nH]n1)C1CCOCC1 1327869630 YVCNWSGSYCLIOO-UHFFFAOYSA-N 211.225 -0.326 50 20 BBGD N#CC(C#N)=CN[C@@H]1CCS(=O)(=O)C1 1337253230 QIWDDSVITGUNRW-MRVPVSSYSA-N 211.246 -0.306 50 20 BBGD C[C@@](O)(CC(=O)NNC(=O)[C@@H]1CCN1)C1CC1 1576257906 GMYNOMPFEHRRQH-GZMMTYOYSA-N 241.291 -0.953 50 20 BBGD CCNC(=O)NNC(=O)[C@@]1(C)C[C@@H](N)CCO1 1577793897 VUWDBEYKUBAHSP-OIBJUYFYSA-N 244.295 -0.767 50 20 BBGD OB(O)c1cccc2nc(OC(F)F)cnc12 1857776357 MZXSWQDVKGXWBT-UHFFFAOYSA-N 239.974 -0.089 50 20 BBGD O=C(CO)NN=Cc1ccccc1C(=O)O 390158018 XTZPZEJZJGDPHF-UHFFFAOYSA-N 222.200 -0.173 50 20 BBGD C[C@@H]1OCC[C@H]1NCc1ccc(B(O)O)o1 585031316 CNSGSOQWBWRHPG-IONNQARKSA-N 225.053 -0.774 50 20 BBGD OB(O)c1ccc(CN[C@@H]2CC[C@@H](F)C2)o1 585040416 KFIMCWSYUMLILI-HTQZYQBOSA-N 227.044 -0.060 50 20 BBGD O=C(NCB(O)O)[C@@H]1CC(c2ccccc2)=NO1 585062852 OETDAVPOHDBBNW-JTQLQIEISA-N 248.047 -0.692 50 20 BBGD Cc1n[nH]cc1C(=O)NNC(=O)c1c[nH]nc1C 732086901 NOKOCVJDAGBEMV-UHFFFAOYSA-N 248.246 -0.176 50 20 BBGD CCC(=O)NNC(=O)[C@@H](C)N(C)CC[C@H](C)O 744406406 JUKKXSQRFDPKDO-DTWKUNHWSA-N 245.323 -0.365 50 20 BBGD CC(=O)NNc1nccc(N2CCOCC2)n1 762862379 WEPFLRFXHOPDPF-UHFFFAOYSA-N 237.263 -0.224 50 20 BBGD CC(=NNC(N)=O)c1cc(C(N)=O)n(C)c1 767012034 RATDYHXOZFFHPQ-UHFFFAOYSA-N 223.236 -0.484 50 20 BBGD CCNC(=O)NNC(=O)[C@H](O)C(C)C 795585700 ALVKWXQRILRTSD-ZCFIWIBFSA-N 203.242 -0.646 50 20 BBGD COCCN(C)NC(=O)[C@@H](NC(C)=O)C(C)C 816560937 GJLXTIXUXRZJRM-JTQLQIEISA-N 245.323 -0.244 50 20 BBGD O=C(CCCF)NNC(=O)c1ccnnc1 854968524 JDVKKTLLZADGPA-UHFFFAOYSA-N 226.211 -0.013 50 20 BBGD CC(=NNC(=O)[C@H]1CCC(=O)N1)[C@H]1CCOC1 863148674 HWFRWALMMQZWSN-DTWKUNHWSA-N 239.275 -0.206 50 20 BBGD CCCN(C)C(=O)N1CC[C@@H](B(O)O)C1 864232267 YPQQYAVXYBHMRP-MRVPVSSYSA-N 214.074 -0.003 50 20 BBGD CNC(=O)NNC(=O)CCC1(O)CCC1 864993020 POMYUXJCTPADJF-UHFFFAOYSA-N 215.253 -0.358 50 20 BBGD CC(=O)NNC(=O)/C=C1\SCC(=O)N1C 873739467 DNXSMZBVIIIIPK-BAQGIRSFSA-N 229.261 -0.800 50 20 BBGD COC(=O)CNC(=O)NN=C1COC[C@H]1C 884448251 VIFOZKYKSGCFCV-ZCFIWIBFSA-N 229.236 -0.519 50 20 BBGD CC(=O)NNC(=O)[C@H](C)OC[C@H]1CCCO1 921073603 HKYJBENCLUCZMS-IONNQARKSA-N 230.264 -0.262 50 20 BBGD Cn1cc(C(=O)NNc2ccn(C)n2)cn1 1116852233 JCJBBQNYKYJFNV-UHFFFAOYSA-N 220.236 -0.090 50 20 BBGD C#CCO[C@@H](C)C(=O)NNC(=S)NC(C)C 1117740519 OYLMSNOLEXRALP-QMMMGPOBSA-N 243.332 -0.072 50 20 BBGD CN(C)CC(=O)NNC(=O)C[C@H]1CCOC1 1318650577 FZPPXTGLLNSWJC-MRVPVSSYSA-N 229.280 -0.878 50 20 BBGD CC(=NNC(=O)CCO)C(C)(C)n1cncn1 1321540674 TYJPEIWOQNYANJ-UHFFFAOYSA-N 239.279 -0.112 50 20 BBGD CCc1ncncc1C(=O)N1CC[C@H](B(O)O)C1 1331894727 FFZXTZMYDAFGTN-QMMMGPOBSA-N 249.079 -0.272 50 20 BBGD COC(=O)C(=O)NNC(=O)NC/C=C/Cl 1335149330 OALBOJSZPDXUKF-NSCUHMNNSA-N 235.627 -0.758 50 20 BBGD NCC(=O)NNC(=O)c1c[nH]cc1C1CC1 1580210565 JTSZXRUVLYBQHM-UHFFFAOYSA-N 222.248 -0.388 50 20 BBGD O=C(O)c1cc(N2CC[C@H](B(O)O)C2)ncn1 1602277612 QUMAROIHKILTAT-LURJTMIESA-N 237.024 -0.772 50 20 BBGD CCOC(=O)NNC(=O)[C@H](C)C(=O)O 1610330959 NTEGCRIAVGRVGL-BYPYZUCNSA-N 204.182 -0.516 50 20 BBGD Cn1cccc1C(=O)NNS(=O)(=O)C1CC1 171331645 AELQGBMOWJZKQN-UHFFFAOYSA-N 243.288 -0.248 50 20 BBGD C[C@H](O)C[C@@H](C)NCc1ccc(B(O)O)cc1 585035095 OYWRXZFJYSRJBT-ZJUUUORDSA-N 237.108 -0.385 50 20 BBGD OB(O)c1cccc(CNC[C@H](O)C2CC2)c1 585040627 OIUWMYXYDGPLIB-LBPRGKRZSA-N 235.092 -0.773 50 20 BBGD Cn1cncc1C=NNC(=O)N1CCOCC1 755673748 SUQFNLVRUFQPKM-UHFFFAOYSA-N 237.263 -0.204 50 20 BBGD CC(=O)NNC(=O)C(=O)N1CCC(C)CC1 767404205 YUBFBSBULPUUGW-UHFFFAOYSA-N 227.264 -0.588 50 20 BBGD CC(C)(O)C(=O)NNC(=O)[C@@H]1CCSC1 768260132 SKLGXLDYLSSDDB-ZCFIWIBFSA-N 232.305 -0.342 50 20 BBGD CC(=O)N[C@@H](C(=O)NN(C)C(N)=O)C(C)C 770531364 AVJWUXRAWZBTLB-SSDOTTSWSA-N 230.268 -0.811 50 20 BBGD COC(=O)CNC(=O)NN=Cc1cncn1C 779822388 CMZOJJXPWKFSKB-UHFFFAOYSA-N 239.235 -0.774 50 20 BBGD C[C@H]1C[C@@H](C(=O)NNC(=O)C2CC2)CO1 784145973 YFLKJXJWMJWFOA-POYBYMJQSA-N 212.249 -0.031 50 20 BBGD C[C@@H](O)CN(C)NC(=O)/C=C\c1cn(C)cn1 822563693 PHNXAKWJKDFSEP-XRVBUDJMSA-N 238.291 -0.223 50 20 BBGD COC[C@H]1C[C@@H](O)CN1S(=O)(=O)CCl 845990076 MZCDICCWUOSEHY-RNFRBKRXSA-N 243.712 -0.406 50 20 BBGD CNC(=S)N(C)NC(=O)Cn1ccnc1C 854927433 IBIOHJKUBGUALE-UHFFFAOYSA-N 241.320 -0.341 50 20 BBGD Cc1ccncc1CC(=O)NNC(=O)CO 857169238 GHICSKFIIZCYLZ-UHFFFAOYSA-N 223.232 -0.928 50 20 BBGD CNC(=O)NNC(=O)[C@@]1(OC)CCSC1 900352458 FORKSJZTOQBDKF-MRVPVSSYSA-N 233.293 -0.531 50 20 BBGD C[C@H](O)CN(C)NC(=O)c1ccnnc1 910166224 OUPXDPBDXKYYPW-ZETCQYMHSA-N 210.237 -0.566 50 20 BBGD C[C@H]1COC[C@H]1NC(=O)c1ccc(B(O)O)cc1 928883154 HQKOFAQWJJOWSC-GZMMTYOYSA-N 249.075 -0.869 50 20 BBGD COCc1cc(C=NNC(=O)CO)no1 1257404928 FQTFLBQZHOGXLD-UHFFFAOYSA-N 213.193 -0.737 50 20 BBGD CC(C)(CC(=O)O)CC(=O)NNC(=O)CO 1590635482 QXEBNXBUJWYICM-UHFFFAOYSA-N 232.236 -0.983 50 20 BBGD CCC(=O)NNC(=O)[C@@H](C)N1CCSCC1 109830936 UBBJJMJBKZWVEK-MRVPVSSYSA-N 245.348 -0.019 50 20 BBGD CCNC(=O)N(C)NC(=O)/C=C/CN(C)C 274369997 CZOSOEQQWDQIOZ-VOTSOKGWSA-N 228.296 -0.203 50 20 BBGD Cn1ncc(C(=O)NNC(=O)C2CCC2)n1 283862621 HDNMJJLFALHDPK-UHFFFAOYSA-N 223.236 -0.624 50 20 BBGD CCN=c1[nH]cc(C(=O)NNC(C)=O)s1 389872420 JZYPBKOOFIHDBW-UHFFFAOYSA-N 228.277 -0.222 50 20 BBGD CCO[C@@H]1CN(C(=O)CCl)C[C@@H]1O 409428130 FYTMUZCSUAHONM-NKWVEPMBSA-N 207.657 -0.167 50 20 BBGD CCO/C=C(\C#N)C(=O)N1C[C@@H](O)C[C@H]1CO 490913142 YQRFMLCERWREGR-GOPXOUGQSA-N 240.259 -0.616 50 20 BBGD CCOC(=O)NNC(=O)C1(C(=O)NC)CC1 491016074 NQNWMMLWQCTVBA-UHFFFAOYSA-N 229.236 -0.710 50 20 BBGD CC(C)COCCC(=O)NCB(O)O 585061838 JCVNYDKMSDPRER-UHFFFAOYSA-N 203.047 -0.823 50 20 BBGD CCc1cc(C(=O)NNC(=O)N(C)C)n[nH]1 746001792 WLVZKGDWNKWRSU-UHFFFAOYSA-N 225.252 -0.112 50 20 BBGD CNC(=O)NN=C(C)CN1C(=O)CCC1=O 754943891 UBEOBESRFVVPEW-UHFFFAOYSA-N 226.236 -0.560 50 20 BBGD COC/C=C\C(=O)NN(C)[C@H](C)CO 823901923 IERYQJYDEGQTTM-PULIVWKDSA-N 202.254 -0.467 50 20 BBGD COCn1ccc(C(=O)NN(C)[C@@H](C)CO)n1 823918007 PSTYHOBHAUTRKG-QMMMGPOBSA-N 242.279 -0.556 50 20 BBGD CN(NC(=O)C1(N(C)C)CC1)C(N)=O 831519788 PNMYCMIHUVWGBM-UHFFFAOYSA-N 200.242 -0.878 50 20 BBGD CNC(=O)NNC(=O)c1ccc(OC)o1 847384426 PWQNGJFLBXIMLO-UHFFFAOYSA-N 213.193 -0.138 50 20 BBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)C(C)(C)CO 848235923 PUOTUBSJCQLHPF-HTQZYQBOSA-N 244.291 -0.423 50 20 BBGD CC(=O)N[C@H](CCC(C)C)C(=O)NN 852772811 PGLZZQFGHCOGBE-MRVPVSSYSA-N 201.270 -0.083 50 20 BBGD CC(Cn1cncn1)=NNC(=O)CN(C)C 853302431 YYNFICNQMYGJND-UHFFFAOYSA-N 224.268 -0.668 50 20 BBGD CN(NC(=O)[C@H]1CCCN1C=O)C1CC1 854983531 KNWBPNNHOHLQQY-SECBINFHSA-N 211.265 -0.267 50 20 BBGD CC(CCCCO)=NNC(=O)[C@@H]1CCC(=O)N1 863147818 MPDUNLNYPNAXMR-VIFPVBQESA-N 241.291 -0.080 50 20 BBGD C#CCCCC(=O)NNC(=O)C1CC(=O)C1 887145402 CQLAVVICKQHBOG-UHFFFAOYSA-N 222.244 -0.084 50 20 BBGD CCOC(=O)C1(C(=O)NN(C)C[C@H](C)O)CC1 910161998 CIWCAJGLRUHJGS-QMMMGPOBSA-N 244.291 -0.327 50 20 BBGD NCC(=O)NNc1cc(O)nc2ncccc12 1574270462 GQRVMXQJTNVDEO-UHFFFAOYSA-N 233.231 -0.263 50 20 BBGD NC[C@H](O)CC(=O)NNc1ccnc(Cl)c1 1580232206 YMLLBAVGIOZLAD-SSDOTTSWSA-N 244.682 -0.112 50 20 BBGD CC(=NNC(=O)C(=O)O)c1cn(C)nc1C 1589011138 QIKSSMPISNWJCW-UHFFFAOYSA-N 224.220 -0.347 50 20 BBGD NNC(=O)CCCOC1CCOCC1 82465555 MNKYEJJUOJLHPZ-UHFFFAOYSA-N 202.254 -0.048 50 20 BBGD O=S(=O)(CCl)NCCCn1cncn1 381917035 NYDSQXCYXQFLAV-UHFFFAOYSA-N 238.700 -0.216 50 20 BBGD COC(=O)NNC(=O)[C@@H]1CC(=O)N(C2CC2)C1 495367360 PEOZJJBEIOXZDJ-ZCFIWIBFSA-N 241.247 -0.616 50 20 BBGD O=C(Nc1cccc(B(O)O)c1)[C@H](O)C1CC1 584912405 FHLILOSFTLLWSH-SNVBAGLBSA-N 235.048 -0.924 50 20 BBGD C=CCOCC(=O)NNC(=O)NCC1CC1 729343833 CVESEXIDWUJWHU-UHFFFAOYSA-N 227.264 -0.071 50 20 BBGD CC(C)NC(=O)NNC(=S)NCCN(C)C 745035560 LGTFZSINFKOUIA-UHFFFAOYSA-N 247.368 -0.365 50 20 BBGD CC(=O)NNC(=O)COC[C@@H]1CCCO1 746386191 OCWRISLSZZNZRU-QMMMGPOBSA-N 216.237 -0.651 50 20 BBGD CN1CCO[C@H](C(=O)NNc2cccnn2)C1 754420593 PVLZUVPPYNKWCF-QMMMGPOBSA-N 237.263 -0.750 50 20 BBGD CCCNC(=O)NNC(=O)[C@]1(O)CCSC1 765697532 MRGQHKPMYQTGSV-VIFPVBQESA-N 247.320 -0.405 50 20 BBGD C=C[C@@H](NNC(=O)COCC)C(=O)OC 799977184 APQYDIKFOJMTKH-SSDOTTSWSA-N 216.237 -0.629 50 20 BBGD C=C[C@](C)(O)C(=O)NNC(=O)c1cc(C)[nH]n1 831425068 TZTPAGHABZBOAS-JTQLQIEISA-N 238.247 -0.584 50 20 BBGD COCCOCC(=O)NN=C1CO[C@@H](C)C1 872400557 VHYIVJIPELBBDG-QMMMGPOBSA-N 230.264 -0.070 50 20 BBGD CN1CC[C@H]1CNCc1ccc(B(O)O)cc1 896595362 JQNNJWWZCFSHGT-LBPRGKRZSA-N 234.108 -0.840 50 20 BBGD CCn1ncc(/C=C(/C#N)C(=O)NC)n1 901435970 LSKOFKKBSLENRM-DAXSKMNVSA-N 205.221 -0.049 50 20 BBGD C[C@@H](O)CN(C)NC(=O)c1ccc(C#N)[nH]1 910159973 DEUCPCPOAMMQQV-SSDOTTSWSA-N 222.248 -0.156 50 20 BBGD C[C@H](O)CN(C)NC(=O)COC[C@@H]1CCCO1 910167806 MTDZBVLUJSDRPI-UWVGGRQHSA-N 246.307 -0.474 50 20 BBGD CN(CCCF)C(=O)c1ccc(B(O)O)cc1 925558687 QHOLJURGMNDRCA-UHFFFAOYSA-N 239.055 -0.202 50 20 BBGD O=C1CC[C@H](C(=O)NNc2cccnn2)N1 1254615380 MRLCCCAFFPUOPY-ZCFIWIBFSA-N 221.220 -0.802 50 20 BBGD C=C(C)CNC(=S)NNC(=O)C(=O)OC 1319345553 FGSOJKMMZMPVHP-UHFFFAOYSA-N 231.277 -0.769 50 20 BBGD CCO/C=C(/C#N)C(=O)N[C@H](COC)C(N)=O 1319760637 QNBCLHHJRQUZDP-GRKOMRHMSA-N 241.247 -0.953 50 20 BBGD Cc1ncncc1C(=O)NNC(=O)NC1CC1 1320102185 AAUMYZNDDGDBBP-UHFFFAOYSA-N 235.247 -0.109 50 20 BBGD CC(=O)NNC(=O)COCc1nnc(C)s1 1321855698 AQDTTXKLBMJCMB-UHFFFAOYSA-N 244.276 -0.470 50 20 BBGD NNC(=O)c1cc2c(nc1O)CCCC2=O 1326626675 LNFWJYLONYKAFB-UHFFFAOYSA-N 221.216 -0.090 50 20 BBGD COCC#CC(=O)NNC(=O)C1CCCC1 1328112665 DCSUQYVWLVOQIQ-UHFFFAOYSA-N 224.260 -0.026 50 20 BBGD Cn1nccc1C(=O)N1CC[C@H](B(O)O)C1 1335434750 WJEDOTOBIFTIDT-ZETCQYMHSA-N 223.041 -0.891 50 20 BBGD COCCN(C)NC(=O)[C@H]1C[C@@H](C(=O)OC)C1 1336484365 FNLBRLHXDGEDKS-DTORHVGOSA-N 244.291 -0.205 50 20 BBGD O=C(O)C(=O)NN=Cc1ccc(O)c(O)c1O 1610714550 WSMRIIBEJDHACM-UHFFFAOYSA-N 240.171 -0.662 50 20 BBGD CCNC(=O)NNC(=S)NCCOC 64937115 MUBFXMHXGPNFDR-UHFFFAOYSA-N 220.298 -0.669 50 20 BBGD NNC(=O)CCn1cnc2sccc2c1=O 70152340 GLNGTNPOGBYTQX-UHFFFAOYSA-N 238.272 -0.162 50 20 BBGD CC[C@@H](SC)C(=O)NNC(=O)CO 182744692 BSZHZNDYPLLDKY-RXMQYKEDSA-N 206.267 -0.732 50 20 BBGD CN(C)C/C=C/C(=O)NNC(=O)N(C)C 265663860 RHYJUTNXOMMPBR-AATRIKPKSA-N 214.269 -0.593 50 20 BBGD CCO/C=C(\C#N)C(=O)NC[C@@]1(O)CCOC1 490784440 ZIVJWFAKSRGWED-LAHYYIKRSA-N 240.259 -0.302 50 20 BBGD CCOC(=O)/C(C#N)=C/NCCNC(=O)OC 497273653 CEAAADQYUAKHGZ-BQYQJAHWSA-N 241.247 -0.097 50 20 BBGD CC(C)Cn1nccc1C(=O)NCB(O)O 585062163 CHHKZASQXSCTQF-UHFFFAOYSA-N 225.057 -0.719 50 20 BBGD CCNC(=O)N(C)NC(=O)[C@H]1CCCO1 770548837 KAOICODWQLXTFH-SSDOTTSWSA-N 215.253 -0.142 50 20 BBGD CCOCC(=O)NN=C(C)Cn1cncn1 853304458 NRCTVIGKOLOCKX-UHFFFAOYSA-N 225.252 -0.193 50 20 BBGD CC(C)C(=O)NNC(=O)C[C@@H]1CCC(=O)N1C 854213443 GILPRRLHFLTPSU-QMMMGPOBSA-N 241.291 -0.199 50 20 BBGD COC(=O)N(C)NC(=O)[C@H]1CCCN1C=O 854409032 FYVIGXVBSKVGRR-SSDOTTSWSA-N 229.236 -0.663 50 20 BBGD CC(C)(C)CC(=O)NNC(=O)[C@@H]1CCNC1=O 857115330 FVQTUCVOABRZCZ-SSDOTTSWSA-N 241.291 -0.294 50 20 BBGD O=C(c1cccc(B(O)O)c1)N1CCC[C@@H]2C[C@H]21 863881962 DDNPCWYFEPRCML-BXKDBHETSA-N 245.087 -0.009 50 20 BBGD CC(C)CC(=O)NNC(=O)[C@@H]1CCCNC1=O 864724191 GCGZOFJGVSHXJJ-MRVPVSSYSA-N 241.291 -0.294 50 20 BBGD CNC(=O)NNC(=O)[C@H]1CCCCN(C)C1=O 874170405 VERXZYYTMGDJFN-SSDOTTSWSA-N 242.279 -0.795 50 20 BBGD COCCOCCNC(=O)NN(C)C(=O)OC 875103780 FAYUNZUFUNZROF-UHFFFAOYSA-N 249.267 -0.438 50 20 BBGD CCN[C@H](C)C(=O)NNc1ncccn1 876590385 VCUCZEMUNVUZGB-SSDOTTSWSA-N 209.253 -0.082 50 20 BBGD C[C@H](O)CN(C)NC(=O)C[C@H]1CCCO1 910141398 RZSWZLYAUMYIHE-DTWKUNHWSA-N 216.281 -0.101 50 20 BBGD CCC[C@H](O)C(=O)NNC(=O)c1ccc[nH]1 929424543 STPQHIMIYPVGRJ-QMMMGPOBSA-N 225.248 -0.063 50 20 BBGD NNC(=O)c1ccc(N2NC(=O)CCC2=O)cc1 1118204624 BPQBJIZPUBOIAA-UHFFFAOYSA-N 248.242 -0.552 50 20 BBGD CC(C)NC(=S)NNC(=O)CN1CCCC1 1119094061 ZJEXNHSCVKDHAM-UHFFFAOYSA-N 244.364 -0.014 50 20 BBGD NC(=O)[C@H]1CC[C@@H]1C(=O)NNc1ccncn1 1327112415 JCBMHQKKRWDLSQ-BQBZGAKWSA-N 235.247 -0.569 50 20 BBGD COCC#CC(=O)NNC(=O)CC(F)(F)F 1329334954 RWUDVPHDXOLANW-UHFFFAOYSA-N 238.165 -0.264 50 20 BBGD CNC(=O)NNC(=O)CCc1cc(C)on1 1333082110 QRDVAZIMKZQXRS-UHFFFAOYSA-N 226.236 -0.124 50 20 BBGD O=C(NNC(=O)[C@@H]1C[C@H]1F)c1cc[nH]n1 1521733781 YWPWWIFUFTWWGI-RFZPGFLSSA-N 212.184 -0.471 50 20 BBGD Cc1cccc(NNC(=O)[C@@H](N)CO)n1 1574165444 JEKZNKWLTNSBHB-ZETCQYMHSA-N 210.237 -0.847 50 20 BBGD CC(=O)NNC(=O)[C@@H]1Cc2ccc(O)cc2N1 1575014288 AAPRRYMNMGGOSH-JTQLQIEISA-N 235.243 -0.104 50 20 BBGD O=C(NCC1CC1)NNC(=O)[C@@H]1NC[C@@H]2C[C@@H]21 1580642303 PLZWOSCMXYSVIG-XHNCKOQMSA-N 238.291 -0.665 50 20 BBGD O=C(O)CCC(=O)NNC(=O)NCC1CC1 1594996654 FRFXHHFDEJSOKI-UHFFFAOYSA-N 229.236 -0.408 50 20 BBGD CC[C@@H]1C(=O)NCCN1S(=O)(=O)CCl 82513406 RGFMUIYWXXXQIT-ZCFIWIBFSA-N 240.712 -0.277 50 20 BBGD COC(=O)N(C)CC(=O)NNc1cnccn1 265201159 TYYZOFMFMGGLMK-UHFFFAOYSA-N 239.235 -0.382 50 20 BBGD O=C(NNc1ncccn1)[C@]1(F)CCNC1 376720037 KCKQJFXRQWULPD-VIFPVBQESA-N 225.227 -0.379 50 20 BBGD O=C(O)NCCC(=O)NNc1cnccn1 738657469 NQUHDZSEOLZUMK-UHFFFAOYSA-N 225.208 -0.423 50 20 BBGD C[C@H]1CCC[C@@H](OCC(=O)NNC(=O)CO)C1 777782756 MOFZJAJTEIPXFN-DTWKUNHWSA-N 244.291 -0.279 50 20 BBGD COC(=O)NNC(=O)[C@@H]1CCc2nccn2C1 787993083 KZQCJFUVWRWZAL-SSDOTTSWSA-N 238.247 -0.167 50 20 BBGD CNC(=O)NCC(=O)NNc1ncccc1C 791220624 IYPSPCLOKMRGEY-UHFFFAOYSA-N 237.263 -0.238 50 20 BBGD CNC(=O)NNC(=O)C[C@@H](C)n1cccn1 819154720 LAYBOHSEZVYLGX-SSDOTTSWSA-N 225.252 -0.206 50 20 BBGD CCN(CCO)NC(=O)c1ccc(C#N)[nH]1 823869232 DPMSMRCDUSYLDI-UHFFFAOYSA-N 222.248 -0.155 50 20 BBGD CC[C@@H](CO)C(=O)NN(C)[C@H](C)CO 823935061 MTWCDIUMMHKNEK-SFYZADRCSA-N 204.270 -0.651 50 20 BBGD C[C@H](CO)N(C)NC(=O)[C@@H]1[C@H]2CCCO[C@H]21 823939329 JCGCMEFXAJJJMH-ZYUZMQFOSA-N 228.292 -0.245 50 20 BBGD C[C@H]1CN(C)C(=O)CN1S(=O)(=O)CCl 831207325 RVSYQPOFPYQIQT-LURJTMIESA-N 240.712 -0.325 50 20 BBGD C[C@H](N)CCNS(=O)(=O)CBr 850582545 RIJFMYFFZMIGFR-YFKPBYRVSA-N 245.142 -0.005 50 20 BBGD CCS(=O)(=O)N[C@@H](C)C(=O)NN(C)C1CC1 854984798 IEMGCKQYOISOGD-ZETCQYMHSA-N 249.336 -0.560 50 20 BBGD O=C(CC(F)(F)F)NNC(=O)[C@@H](O)C1CC1 855001058 SUZJPOWJBHPTKR-LURJTMIESA-N 240.181 -0.143 50 20 BBGD O=C(NC1(CCO)CC1)c1cccc(B(O)O)c1 868546027 ACBYJNWGIMVFSD-UHFFFAOYSA-N 249.075 -0.989 50 20 BBGD CC[C@H](CO)C(=O)NNc1ccncn1 908550370 GSMZTXOGNQEJLL-SSDOTTSWSA-N 210.237 -0.062 50 20 BBGD CCOC(=O)[C@H](CO)NS(=O)(=O)CCl 1260935536 MXRIMJNBCIHEHA-YFKPBYRVSA-N 245.684 -0.974 50 20 BBGD CS(=O)(=O)CCCC(=O)NNC(=O)C1CC1 1318402950 HNCPDWPUDRVFAD-UHFFFAOYSA-N 248.304 -0.631 50 20 BBGD CCNC(=O)NNC(=O)c1ccc(C=O)[nH]1 1319096116 IOQBHZYLRCBXKO-UHFFFAOYSA-N 224.220 -0.209 50 20 BBGD O=C(NNC(=O)C1CCC1)c1cccc[n+]1[O-] 1321719191 YDWRGEDAMPKSTD-UHFFFAOYSA-N 235.243 -0.119 50 20 BBGD CC(=NNC(=O)C(N)=O)c1cn(C)nc1C 1321783724 OLEJQVICUKQYQC-UHFFFAOYSA-N 223.236 -0.946 50 20 BBGD CNC(=O)NNC(=O)[C@H](O)c1cccnc1 1321871751 WHRZVYOBTPHOLM-SSDOTTSWSA-N 224.220 -0.925 50 20 BBGD O=CN1CCC[C@@H]1C(=O)NNC(=O)C1CC1 1328070513 AIKIVSZIHHFDCT-MRVPVSSYSA-N 225.248 -0.835 50 20 BBGD C[C@@H](CO)N(C)NC(=O)C1CCN(C)CC1 1332591018 QQIOBKCAWXGYFM-VIFPVBQESA-N 229.324 -0.328 50 20 BBGD CN(NC(=O)C(=O)c1ccc(O)cc1)C(N)=O 1339804358 RZRWQQTZSGRNII-UHFFFAOYSA-N 237.215 -0.383 50 20 BBGD CCO/C=C(/C#N)C(=O)NCCOCCCN 1578099432 DSKZJPGMCRYSOC-KTKRTIGZSA-N 241.291 -0.088 50 20 BBGD O=C(O)CCCC=NNC(=O)[C@H]1COCCO1 1606142217 BADGIOBJCBWNNQ-MRVPVSSYSA-N 244.247 -0.241 50 20 BBGD CC[C@@H](COC)NCc1ccc(B(O)O)cc1 585024834 DXIHJIPNVZZUTI-LBPRGKRZSA-N 237.108 -0.119 50 20 BBGD OCC(F)(F)CNCc1cccc(B(O)O)c1 585036374 IJSAXQZDGWTRII-UHFFFAOYSA-N 245.034 -0.916 50 20 BBGD OB(O)c1ccc(CN[C@@H]2CC[C@@H]3C[C@H]32)o1 585042139 JOCIMSDLGDUQEN-SZEHBUNVSA-N 221.065 -0.153 50 20 BBGD O=C(CCCOc1ccccc1)NCB(O)O 585056771 WSCLLNXYUWZPSL-UHFFFAOYSA-N 237.064 -0.026 50 20 BBGD Cc1ccccc1CC(=O)NCB(O)O 585058053 RTRKKCCTNQQGCU-UHFFFAOYSA-N 207.038 -0.334 50 20 BBGD CNC(=O)NNC(=O)COc1ccccc1O 730903286 KUDBLKNIOZHUKU-UHFFFAOYSA-N 239.231 -0.269 50 20 BBGD CC(=O)NC(C)(C)C(=O)NNC(=O)C1CCC1 732142154 UCCUKEPTTNAEBS-UHFFFAOYSA-N 241.291 -0.151 50 20 BBGD CC[C@@H](OC)C(=O)NNC(=O)N1CCOCC1 745996426 XCUWWNHUKKPJRQ-MRVPVSSYSA-N 245.279 -0.516 50 20 BBGD COCCOCC(=O)NNC(=O)C(F)F 753676805 ZAVXAFPMBHKOSB-UHFFFAOYSA-N 226.179 -0.938 50 20 BBGD Cc1cc(C(=O)NNC(=O)[C@@H](C)C#N)n[nH]1 768279047 SGYTVZJWMRZJER-YFKPBYRVSA-N 221.220 -0.361 50 20 BBGD CC(COC(C)C)=NNC(=O)C(N)=O 799865242 OLCRRKAQYZCSKG-UHFFFAOYSA-N 201.226 -0.611 50 20 BBGD Cc1cc(NNC(=O)c2cnn(C)n2)nc(C)n1 806890337 XZLVFWGEYCDZFF-UHFFFAOYSA-N 247.262 -0.021 50 20 BBGD COCCN(C)NC(=O)c1cnnn1C 816561785 LNSQXNHLKAZECT-UHFFFAOYSA-N 213.241 -0.962 50 20 BBGD N#CC1(C(=O)NNc2nc[nH]n2)CCC1 816632841 BCTITAVDIREECB-UHFFFAOYSA-N 206.209 -0.058 50 20 BBGD CCNC(=O)NNC(=O)Cc1cncc(O)c1 823798520 FGUJCSBNWUEKQR-UHFFFAOYSA-N 238.247 -0.320 50 20 BBGD C[C@H](CO)N(C)NC(=O)CCn1cccn1 823976697 HMEBAHCCXWLGFN-SECBINFHSA-N 226.280 -0.383 50 20 BBGD CC(C)(CO)C(=O)NN=c1cc[nH]cc1 847689596 BQFKYABILUBWMH-UHFFFAOYSA-N 209.249 -0.035 50 20 BBGD C/C=C/C=C/C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862450089 WQZDRGFYDKNKSL-YURWMZSRSA-N 237.259 -0.455 50 20 BBGD Cc1cc(=NNC(=O)[C@@H]2CC[C@H]2C(N)=O)cc[nH]1 862514312 XJVXHXPLWAGFAS-NXEZZACHSA-N 248.286 -0.233 50 20 BBGD O=C1CCC(=NNC(=O)c2cn[nH]c2)CCN1 863154451 WWPBITAAHNURCK-UHFFFAOYSA-N 235.247 -0.204 50 20 BBGD CCc1nn(C)cc1C(=O)NN(C)C[C@@H](C)O 1334998877 XQWVHCMRTZEUSH-MRVPVSSYSA-N 240.307 -0.060 50 20 BBGD O=C(c1ccc(F)cn1)N1CC[C@H](B(O)O)C1 1351729993 SNNCTRMPERRAMF-ZETCQYMHSA-N 238.027 -0.090 50 20 BBGD CN(N)C(=O)c1ccc(S(C)(=O)=O)cc1N 1573883092 YKFJNEAAJXDCSD-UHFFFAOYSA-N 243.288 -0.382 50 20 BBGD CCc1cccnc1C(=O)NNC(=O)[C@H]1CCN1 1578280388 HWDGKFOHDVLARX-SECBINFHSA-N 248.286 -0.233 50 20 BBGD Cc1nnc(NNC(=O)[C@H]2C[C@H]2C(=O)O)n1C 1600798180 AXDGUHVWPSIYAO-NTSWFWBYSA-N 239.235 -0.713 50 20 BBGD C=C[C@H](NNC(=O)[C@@H]1CCO[C@@H]1C)C(=O)O 1609272418 PPZFWYOLOKZFSZ-PRJMDXOYSA-N 228.248 -0.329 50 20 BBGD COCCCC(=O)NNC(=O)NC1CC1 49150265 TXQHQUMHXIHLQF-UHFFFAOYSA-N 215.253 -0.094 50 20 BBGD CC(C)(CNC=C(C#N)C#N)NS(C)(=O)=O 68215908 VYYNJFOJCZNSMZ-UHFFFAOYSA-N 242.304 -0.165 50 20 BBGD O=C(CCC(=O)c1ccccc1)NCB(O)O 585056620 RSFRTCXDOYCCJF-UHFFFAOYSA-N 235.048 -0.222 50 20 BBGD O=C(NCB(O)O)c1ccc(Cl)o1 585057535 GORFUEWNPDTVSU-UHFFFAOYSA-N 203.390 -0.325 50 20 BBGD Cc1cc(NNC(=O)[C@H]2C[C@@H]2C(=O)O)ncn1 738461501 FRMORHUQIAQUHI-BQBZGAKWSA-N 236.231 -0.051 50 20 BBGD CCNC(=O)NNC(=O)[C@H](C)N(C)C 750610254 QCWYDUTZOHGWEI-LURJTMIESA-N 202.258 -0.713 50 20 BBGD CN1CCN(CC(=O)NN(C)C2CC2)CC1 819648235 YHYHBZXMUDHTAE-UHFFFAOYSA-N 226.324 -0.641 50 20 BBGD C[C@H](CO)N(C)NC(=O)[C@@H]1C[C@H]2CC[C@H]1O2 823960128 WKBRLHBTCGKDCR-ZYUZMQFOSA-N 228.292 -0.102 50 20 BBGD C[C@@H](CCN)NS(=O)(=O)CBr 850587163 QXXQEAJFHZEXQP-YFKPBYRVSA-N 245.142 -0.005 50 20 BBGD C[C@@H]1C[C@@H](C(=O)NNC(=O)c2cc[nH]n2)CO1 855356429 LTMYXVKGTBEGLI-RNFRBKRXSA-N 238.247 -0.404 50 20 BBGD CNC(=O)NNC(=O)Cn1ccnc1C(C)C 874168659 FQODUCQRWREALA-UHFFFAOYSA-N 239.279 -0.033 50 20 BBGD CCCOCC(=O)NNC(=O)C1CCOCC1 883061836 IXDVDDCJUOPTST-UHFFFAOYSA-N 244.291 -0.013 50 20 BBGD C[C@H](O)CN(C)NC(=O)c1cnn(CCF)c1 910159066 ZNHQURJROIALAO-QMMMGPOBSA-N 244.270 -0.190 50 20 BBGD COCCCNC(=O)NNC(=O)CCC(C)=O 920889187 OWWRCKDEBTZUIM-UHFFFAOYSA-N 245.279 -0.278 50 20 BBGD CC(C)(C)OC(=O)NNC(=O)NCC#CCO 923790143 UAWAVNORYDEAQA-UHFFFAOYSA-N 243.263 -0.279 50 20 BBGD NC(=O)C(=O)NN=Cc1ccc(O)c(F)c1 1253641434 PAQXZACSTSCSQP-UHFFFAOYSA-N 225.179 -0.533 50 20 BBGD CN(NC(=O)Cc1cnn(C)c1)C(N)=O 1254448501 RQNULFZTLWULSR-UHFFFAOYSA-N 211.225 -0.996 50 20 BBGD Cn1nncc1C=NNC(=O)C(C)(C)O 1255532289 YBVCNBZJPJIDGH-UHFFFAOYSA-N 211.225 -0.964 50 20 BBGD CS(=O)(=O)CCOCCNC(=O)CCl 1320465860 PHQKRJBSNLLRKK-UHFFFAOYSA-N 243.712 -0.597 50 20 BBGD CN1CCC[C@H]1C(=O)NNc1ccn(C)n1 1332814518 SOSUGBLAFQOIIO-QMMMGPOBSA-N 223.280 -0.043 50 20 BBGD C[C@@H](CO)N(C)NC(=O)[C@]1(C(=O)O)CC1(C)C 1589072771 CWRFJXGTTGAZBY-CPCISQLKSA-N 244.291 -0.169 50 20 BBGD NNC(=O)CCCS(=O)(=O)N1CCCC1 26468280 DXODPVCFAFSZHN-UHFFFAOYSA-N 235.309 -0.818 50 20 BBGD NNC(=O)CN1CCN(c2ccccn2)CC1 110919229 KXCVQMVWJXRUJB-UHFFFAOYSA-N 235.291 -0.807 50 20 BBGD COC[C@@H](CO)NS(=O)(=O)CCCCl 229357860 JJYBSMWCFSLEIG-SSDOTTSWSA-N 245.728 -0.458 50 20 BBGD COCCN(C)NC(=O)c1cc(C)n[nH]1 288642740 XMKCDHSWBNONHD-UHFFFAOYSA-N 212.253 -0.059 50 20 BBGD N#C[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)C1 585006694 YZCHVOKECOJPQG-VIFPVBQESA-N 244.059 -0.648 50 20 BBGD OB(O)c1ccc(CN[C@@H]2CCCC[C@H]2O)o1 585037331 ZBKBJFLGCNXPDH-NXEZZACHSA-N 239.080 -0.648 50 20 BBGD CCOC(=O)NNC(=O)[C@@H]1C[C@@H]1C(=O)OC 727364953 XYQHWCDVHVZYIP-RITPCOANSA-N 230.220 -0.427 50 20 BBGD CC(C)NC(=S)NNC(=O)N1CCOCC1 745728907 AOVKVPXCNIRLMW-UHFFFAOYSA-N 246.336 -0.184 50 20 BBGD Cn1cc(C=NNC(=O)c2cccn2C)nn1 755613096 SLYIQVBOPDXLKH-UHFFFAOYSA-N 232.247 -0.083 50 20 BBGD COC(=O)NNC(=O)COc1cc(C)on1 792608099 FGXFRBHEIFDFPV-UHFFFAOYSA-N 229.192 -0.251 50 20 BBGD C=C[C@](C)(O)C(=O)NNC(=O)NCCCOC 823809697 AGQFXSNVLHWZEU-JTQLQIEISA-N 245.279 -0.710 50 20 BBGD C[C@H](CO)N(C)NC(=O)Cc1cc[nH]n1 823951010 HCJALNSKDYCGNP-SSDOTTSWSA-N 212.253 -0.704 50 20 BBGD C/C=C/C(=O)NNC(=O)N1CCN(C)CC1 854378971 JSPKHIDRDPRTCW-ONEGZZNKSA-N 226.280 -0.449 50 20 BBGD C[C@]1(C(=O)NNC(=O)CO)CC=CCC1 857169654 JSEDKJGFNRBUEF-JTQLQIEISA-N 212.249 -0.128 50 20 BBGD C[C@@H]1OCCC1=NNC(=O)[C@H]1CCC(=O)N1 863148216 WPVARKSQBCEQSK-POYBYMJQSA-N 225.248 -0.454 50 20 BBGD Cc1nc(C(=O)NN(C)C[C@@H](C)O)co1 910158413 FFRGYXZCQGKIJY-ZCFIWIBFSA-N 213.237 -0.060 50 20 BBGD CC(C)NC(=O)NNC(=O)CO[C@@H]1CCOC1 1116206023 VGBPCTQANJIRJJ-MRVPVSSYSA-N 245.279 -0.469 50 20 BBGD CC(CCCCN(C)C)=NNC(=O)C(N)=O 1254391285 PVDFPEODTKUNOR-UHFFFAOYSA-N 228.296 -0.304 50 20 BBGD COC(=O)C(=O)NNC(=O)NCCCC(C)C 1323430926 CTAHGFQPRULXPR-UHFFFAOYSA-N 245.279 -0.074 50 20 BBGD CNC(=O)NNC(=O)CCc1nccn1C 1350954204 JDLAJPPEAHRLMC-UHFFFAOYSA-N 225.252 -0.687 50 20 BBGD C[C@@H](O)CN(C)NC(=O)[C@@H](C(=O)O)C1CC1 1589151787 BWUMBHSXLVUXKH-SVRRBLITSA-N 230.264 -0.559 50 20 BBGD CN(C)CC(=O)NNC(=O)C1(C#N)CCC1 77004104 ZTPMJQVNKBBROZ-UHFFFAOYSA-N 224.264 -0.611 50 20 BBGD Cc1cccc(C(=O)NNC(=O)C(C)(C)O)n1 276237240 KLXIWFBOGVEJCW-UHFFFAOYSA-N 237.259 -0.078 50 20 BBGD CS[C@H](C)CNCc1ccc(B(O)O)o1 585030737 YPYVRZVHXDOPLG-SSDOTTSWSA-N 229.110 -0.200 50 20 BBGD OB(O)c1ccc(CNCCc2cn[nH]c2)cc1 585040968 LGTVEQXYQVZSKF-UHFFFAOYSA-N 245.091 -0.578 50 20 BBGD C[C@@H](Oc1ccc(F)cc1)C(=O)NCB(O)O 585057801 KWUHOGPMTATVLM-SSDOTTSWSA-N 241.027 -0.279 50 20 BBGD CC(C)[C@H]1OCC[C@@H]1C(=O)NCB(O)O 585062875 OZZFEUWEWODKRK-JGVFFNPUSA-N 215.058 -0.824 50 20 BBGD CN(C)C(=O)CNC(=O)NNC(=O)C1CCC1 732238671 YBJBJYKLJZMLMN-UHFFFAOYSA-N 242.279 -0.795 50 20 BBGD COCC(=O)NN=Cc1ccc(O)c(O)c1O 761817037 IZZLHQVFDHMOGV-UHFFFAOYSA-N 240.215 -0.100 50 20 BBGD CC(=O)NNC(=O)[C@@H]1O[C@@H](C)C[C@@H]1C 800320484 BLZJFECOHASHST-VMHSAVOQSA-N 200.238 -0.033 50 20 BBGD COCCCn1nccc1C=NNC(N)=O 802703516 GKCAFDRBYWRYKT-UHFFFAOYSA-N 225.252 -0.078 50 20 BBGD CC(C)(O)C(=O)NNC(=O)[C@@](C)(O)C1CC1 804609270 VLLPTVDWISXEAR-JTQLQIEISA-N 230.264 -0.934 50 20 BBGD CCN(CCO)NC(=O)[C@@H]1C[C@H]2CC(=O)[C@@H]1C2 823889009 FIFJHUAGZBWEBO-IVZWLZJFSA-N 240.303 -0.053 50 20 BBGD CNC(=S)N(C)NC(=O)[C@@H]1CCO[C@H]1C 854922464 LUYAAZZVOSWCGL-NKWVEPMBSA-N 231.321 -0.121 50 20 BBGD CCC1(C(=O)NNC(=O)[C@H]2CCC(=O)N2)CC1 862456977 XSXXVTDXORMDDE-SSDOTTSWSA-N 239.275 -0.397 50 20 BBGD CC(=O)N[C@H](C)C(=O)NNC(=O)C(C)C 915775806 VFJFBDKWBABBIE-ZCFIWIBFSA-N 215.253 -0.686 50 20 BBGD CCn1nccc1C=NNC(=O)CCO 1116373095 RXLHPIAZZXQJFI-UHFFFAOYSA-N 210.237 -0.265 50 20 BBGD CCNC(=O)N(C)NC(=O)c1cnco1 1320200949 USKZNLZQXMJMLC-UHFFFAOYSA-N 212.209 -0.019 50 20 BBGD NC(=O)NNC(=S)NCCc1ccccn1 1322303391 HYYSSOXCTDTXNA-UHFFFAOYSA-N 239.304 -0.329 50 20 BBGD COC(=O)N(C)NC(=O)CO[C@@H]1CCOC1 1323788197 YBHHFANEVQLXHT-SSDOTTSWSA-N 232.236 -0.479 50 20 BBGD CNC(=O)NNC(=O)[C@@H]1CCO[C@@H](C)C1 1324946688 WYSXLIQQDQFCDP-NKWVEPMBSA-N 215.253 -0.238 50 20 BBGD O=C1CC[C@@H](C(=O)NNC(=O)c2ccoc2)N1 1329569962 VCBNKTFSTBQFKW-ZETCQYMHSA-N 237.215 -0.681 50 20 BBGD COc1ccnc(C=NNC(=O)CCO)n1 1332316561 AWKPPTAEBGTMDR-UHFFFAOYSA-N 224.220 -0.682 50 20 BBGD C[C@@H](O)CN(C)NC(=O)CCc1ccn(C)n1 1332629251 IITDCMAIHRQQHE-SECBINFHSA-N 240.307 -0.304 50 20 BBGD COC(=O)NNS(=O)(=O)c1cnc(C)n1C 1351663509 YZXWDNDSXYXOQM-UHFFFAOYSA-N 248.264 -0.722 50 20 BBGD Cn1ccc(NNC(=O)[C@]23C[C@H](N)C[C@H]2C3)n1 1579972653 ITKJMHBQDFCHLY-VAOFZXAKSA-N 235.291 -0.009 50 20 BBGD O=C(NC/C=C/C1CC1)NNC(=O)C(=O)O 1601491462 LFFBMRRRTHSMAU-OWOJBTEDSA-N 227.220 -0.632 50 20 BBGD C[C@@H]1CC(=NNC(=O)C(=O)O)CCN1C 1604645024 FUYGXEAZDBNRKK-ZCFIWIBFSA-N 213.237 -0.343 50 20 BBGD CC(C)(O)C(=O)NNC(=O)[C@@H]1C[C@@]12CCOC2 377053089 RIFBEPSWPMMBKB-WRWORJQWSA-N 242.275 -0.669 50 20 BBGD CO[C@H](C)CC(=O)Nc1cccc(B(O)O)c1 584911834 ZHSZGINDFAOEIP-MRVPVSSYSA-N 237.064 -0.270 50 20 BBGD COC[C@H](C)CNCc1ccc(B(O)O)o1 585019301 IRAWTFULFYRNBK-MRVPVSSYSA-N 227.069 -0.669 50 20 BBGD COc1cccc(C(=O)NCB(O)O)c1C 585062010 ADIHNGLCIVBBKU-UHFFFAOYSA-N 223.037 -0.255 50 20 BBGD O=C(NNC(=O)[C@H]1CCCOC1)NC1CC1 727732828 VUJWOCDIMPJZQN-ZETCQYMHSA-N 227.264 -0.094 50 20 BBGD CC(C)(C)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 732272639 ZQRHGLXPRXJQSB-LURJTMIESA-N 227.264 -0.542 50 20 BBGD CNC(=O)NNC(=O)C1(OC)CCCC1 754649574 NNHCAFUXJKZHAV-UHFFFAOYSA-N 215.253 -0.094 50 20 BBGD CC(=O)NNC(=O)Cn1c(C)cc(O)cc1=O 760116946 BGXGQOAHZPVNPP-UHFFFAOYSA-N 239.231 -0.970 50 20 BBGD Cc1ncc(C(=O)NNC(=O)C(C)(C)O)s1 768247939 POQHXIOPEAFYQQ-UHFFFAOYSA-N 243.288 -0.017 50 20 BBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H](C)OC 772039697 QLCXFIUFZSFENP-NKWVEPMBSA-N 246.263 -0.490 50 20 BBGD CN(NC(=O)COc1ccccc1O)C(N)=O 778411137 AGUQWNAKFNCWRT-UHFFFAOYSA-N 239.231 -0.187 50 20 BBGD CCOC(=O)c1cc(C=NNC(N)=O)on1 792869632 MAASORWEPFLPRK-UHFFFAOYSA-N 226.192 -0.147 50 20 BBGD COC(=O)N(C)NS(=O)(=O)N(C)C(C)C 809380510 XKOSVNHPVGAUOV-UHFFFAOYSA-N 239.297 -0.226 50 20 BBGD COC(=O)[C@@H]1C[C@@H]1C(=O)NNc1cnnn1C 816771949 HMYBNTCJAKHFRP-NTSWFWBYSA-N 239.235 -0.933 50 20 BBGD COC[C@@H](OC)C(=O)NNc1ncccn1 820935405 SSXKKIZATXYKEG-SSDOTTSWSA-N 226.236 -0.419 50 20 BBGD C[C@H](O)CN(C)NC(=O)[C@H]1CCCN1C 821217799 OZONWUZHBMNGQZ-DTWKUNHWSA-N 215.297 -0.576 50 20 BBGD COC(=O)N(C)CC(=O)NN(C)C[C@@H](C)O 824156748 RTCQBLLGSGZJJL-SSDOTTSWSA-N 233.268 -0.972 50 20 BBGD CCNC(=O)N(C)NC(=O)[C@H]1CC(C)=NO1 831853860 IDFSPCLFBVJKOV-SSDOTTSWSA-N 228.252 -0.156 50 20 BBGD Cc1ncc(C(=O)NNC(=O)CC2CC2)c(N)n1 832912650 FNLISMCBCUTICH-UHFFFAOYSA-N 249.274 -0.072 50 20 BBGD CC[C@H](NNC(=O)[C@@H]1CCO[C@@H]1C)C(=O)OC 843288781 HDXMWACHMACBEP-HLTSFMKQSA-N 244.291 -0.016 50 20 BBGD C#CCCCC(=O)NNC(=O)c1cnnn1C 887148210 SIIWCBGYMKRPMK-UHFFFAOYSA-N 235.247 -0.620 50 20 BBGD COC/C=C\C(=O)NN(C)C[C@H](C)O 910151575 CUITXCHMZQHSBW-LGYSABEFSA-N 202.254 -0.467 50 20 BBGD CN(C)C(=O)NNC(=O)Cn1ccccc1=O 914462240 FCAOSCCPVPPREX-UHFFFAOYSA-N 238.247 -0.849 50 20 BBGD CCCNC(=O)NNC(=O)c1cn[nH]c1 921038332 SZSSOFZPNWWELR-UHFFFAOYSA-N 211.225 -0.236 50 20 BBGD O=C(NNC(=O)N1CCOCC1)c1cocn1 1115991946 UKGRPXYLFUDDAI-UHFFFAOYSA-N 240.219 -0.639 50 20 BBGD CCNC(=O)NNC(=O)C1CCN(C)CC1 1119525438 YOWRTIHAVUULAF-UHFFFAOYSA-N 228.296 -0.322 50 20 BBGD C#C[C@H](C)NC(=O)NNC(=O)C1CCOCC1 1333595899 NIPNMDDPFXDBFI-QMMMGPOBSA-N 239.275 -0.235 50 20 BBGD C#Cc1cncc(C(=O)NNC(=O)NC)c1 1344739900 JQDMPLPHJRPOMT-UHFFFAOYSA-N 218.216 -0.363 50 20 BBGD O=C(NNc1cccnn1)N[C@@H]1CCOC1 178770402 XXNCVUWZCCVESR-SSDOTTSWSA-N 223.236 -0.108 50 20 BBGD CCCSCC(=O)NNC(=O)CO 180959790 ZGIKQMBNNMQIOD-UHFFFAOYSA-N 206.267 -0.731 50 20 BBGD COC(=O)N(C)NC(=O)[C@H](NC(C)=O)C(C)C 497052478 HPPIQNXSUAFPLR-MRVPVSSYSA-N 245.279 -0.124 50 20 BBGD O=C(c1ccc(B(O)O)cc1)N1CC=CCC1 584972410 WGFCFXOBPKTDMI-UHFFFAOYSA-N 231.060 -0.232 50 20 BBGD CN(C)C(=O)NNC(=O)c1cccc2nn[nH]c12 783586382 ZCONNVZFHNWLBL-UHFFFAOYSA-N 248.246 -0.126 50 20 BBGD C[C@H](O)CN(C)NC(=O)/C=C\c1cn(C)cn1 822563690 PHNXAKWJKDFSEP-WBSSQXGSSA-N 238.291 -0.223 50 20 BBGD C[C@@H]1C[C@@H](C(=O)NN(C)[C@H](C)CO)CO1 823935841 WQXXQDFJQAIFKI-IWSPIJDZSA-N 216.281 -0.245 50 20 BBGD Cc1cc(CC(=O)NN(C)C[C@H](C)O)n[nH]1 910166205 OMXHNUIFKPLMRH-QMMMGPOBSA-N 226.280 -0.396 50 20 BBGD CC(=O)NCCNC(=O)NNC(=O)C(C)(C)C 915893936 DUQUSYZPURITSS-UHFFFAOYSA-N 244.295 -0.501 50 20 BBGD CN(C)C(=O)NNC(=O)c1csc(O)n1 1116856473 BTHRHZNRWUBHSZ-UHFFFAOYSA-N 230.249 -0.235 50 20 BBGD O=C(NNC(=O)C1CCC1)c1cc[n+]([O-])cc1 1318714322 AJHUVZGLVIVCAJ-UHFFFAOYSA-N 235.243 -0.119 50 20 BBGD CN(C)C(=O)NNC(=O)[C@@H]1CCN(C)C(=O)C1 1320705677 XUBJWRVQDZKLEL-SSDOTTSWSA-N 242.279 -0.843 50 20 BBGD NC(=O)C(=O)NN=Cc1csc([N+](=O)[O-])c1 1323440360 APNATQFUPWFLHM-UHFFFAOYSA-N 242.216 -0.408 50 20 BBGD CNC(=S)N(C)NC(=O)CCc1cnn[nH]1 1329961035 UASPPELWFRIUAR-UHFFFAOYSA-N 242.308 -0.795 50 20 BBGD NC(=O)CN(C(=O)CCl)C1CCOCC1 1331234153 NSAYGHLUEJAOHV-UHFFFAOYSA-N 234.683 -0.282 50 20 BBGD CCONC(=O)NNC(=O)c1cn[nH]c1 1332483173 NXXGHSPLCRCYDY-UHFFFAOYSA-N 213.197 -0.695 50 20 BBGD O=C(NNC(=O)[C@@H]1C[C@@H]1F)c1cn[nH]c1 1337617405 LMTLXQWIDVNUOQ-RITPCOANSA-N 212.184 -0.471 50 20 BBGD CN(C)C(=O)NNC(=O)[C@H]1[C@@H](CN)C1(F)F 1578403131 OZOFRUDRCGCBSL-RFZPGFLSSA-N 236.222 -0.871 50 20 BBGD CC(C)(C)C(=O)NNC(=O)NC[C@H](F)C(=O)O 1589693372 JFWRCKCTTWGMHF-YFKPBYRVSA-N 249.242 -0.214 50 20 BBGD C#CCOCCC(=O)NNC(=O)c1ccc[nH]1 160197579 DGDULHLBRDTFLX-UHFFFAOYSA-N 235.243 -0.184 50 20 BBGD CCOC(=O)NNS(=O)(=O)C1CC1 171329811 MPPAMEGTQFBINR-UHFFFAOYSA-N 208.239 -0.271 50 20 BBGD COCC[C@@H](CO)NS(=O)(=O)CCl 300772834 AAWPRDRMPMSESA-LURJTMIESA-N 231.701 -0.501 50 20 BBGD CC[C@@](C)(CNCc1ccc(B(O)O)o1)OC 585043648 PYCZEUYYMAZXEW-NSHDSACASA-N 241.096 -0.136 50 20 BBGD CCC(=O)NNC(=O)[C@@H](C)N1CC[C@@H](OC)C1 752322948 SZGCWRCVHMLPMZ-RKDXNWHRSA-N 243.307 -0.347 50 20 BBGD CC(C)C(=O)NNC(=O)c1n[nH]cc1[N+](=O)[O-] 763464610 ACWRGBQIPXDAKP-UHFFFAOYSA-N 241.207 -0.265 50 20 BBGD CC(=O)NNC(=O)[C@@H]1O[C@H](C)C[C@H]1C 800320481 BLZJFECOHASHST-ATRFCDNQSA-N 200.238 -0.033 50 20 BBGD CN(NC(=O)CN1CCCNC1=O)C1CC1 819645931 WQFIGISJSPTYMW-UHFFFAOYSA-N 226.280 -0.473 50 20 BBGD COC(=O)N(C)NC(=O)[C@@]1(C)CCNC1=O 822838091 OODINFFTBDQTKZ-VIFPVBQESA-N 229.236 -0.758 50 20 BBGD Cc1nonc1C(=O)NN(C)[C@H](C)CO 823959210 DJBRYUPFWGFOAD-RXMQYKEDSA-N 214.225 -0.665 50 20 BBGD CC(C)(O)C(=O)NNC(=O)[C@]1(C)CCCCO1 837569483 QTJKZAQRJOIQKP-NSHDSACASA-N 244.291 -0.136 50 20 BBGD CO[C@H](C)C(C)=NNC(=O)CS(C)(=O)=O 863188119 ZAUOXDLOARYWTH-SSDOTTSWSA-N 236.293 -0.442 50 20 BBGD C#CC1(O)CN(S(=O)(=O)CCl)C1 908228563 OLHYHCVEARUAIF-UHFFFAOYSA-N 209.654 -0.808 50 20 BBGD C[C@H](O)CN(C)NC(=O)CC1OCCO1 910159082 HIFMAURMWOYURS-ZETCQYMHSA-N 218.253 -0.907 50 20 BBGD CC(C)C(=O)NNC(=O)[C@H]1CCN(C)C(=O)C1 913160981 BFWJJICBHNQOKI-QMMMGPOBSA-N 241.291 -0.342 50 20 BBGD COC(=O)C(=O)NN=Cc1c(C)nn(C)c1C 1318910514 BEJRVBBFDLPETG-UHFFFAOYSA-N 238.247 -0.340 50 20 BBGD Cn1nncc1NNC(=O)C[C@@H]1CCCO1 1331133289 RWKHBYGZSKFERR-ZETCQYMHSA-N 225.252 -0.173 50 20 BBGD CNC(=O)NNC(=O)Cc1c(C)n[nH]c1C 1338387131 GZLQMYUDKPFVKD-UHFFFAOYSA-N 225.252 -0.471 50 20 BBGD CCO/C=C(/C#N)C(=O)NCc1cnnn1C 1347516601 ZLAZBHDHWDFGRK-FPLPWBNLSA-N 235.247 -0.125 50 20 BBGD Nc1ncc(C(=O)NNC(=O)C2CC2)s1 1580472014 VZFHCGWUZFZNGN-UHFFFAOYSA-N 226.261 -0.104 50 20 BBGD CC(C)(O)C(=O)NNC(=O)[C@H](C(=O)O)C1CC1 1602953645 FBDPHVDOVAYMSV-ZCFIWIBFSA-N 244.247 -0.985 50 20 BBGD C[C@H]1C[C@@H](NC(=O)c2cccc(B(O)O)c2)CO1 585004059 WWFGKYLMCVXGQC-GZMMTYOYSA-N 249.075 -0.726 50 20 BBGD C[C@@H](CO)[C@@H](C)NCc1ccc(B(O)O)o1 585025561 XLKYUCMIGXRYNQ-JGVFFNPUSA-N 227.069 -0.934 50 20 BBGD O=S(=O)(NCB(O)O)c1ccc(Cl)cc1 585054082 HPINIDKHFNXCBJ-UHFFFAOYSA-N 249.484 -0.370 50 20 BBGD COc1ccccc1CC(=O)NCB(O)O 585056121 KFNAZNOUHNWTFM-UHFFFAOYSA-N 223.037 -0.634 50 20 BBGD CC[C@H](C)C(=O)NNS(=O)(=O)N1CCCC1 742028829 JEXPBZAWJUHPHR-QMMMGPOBSA-N 249.336 -0.006 50 20 BBGD CCNC(=S)NNC(=O)N1CCOCC1 745728937 CJAUTPOGJIJNPT-UHFFFAOYSA-N 232.309 -0.573 50 20 BBGD CC(C)C(=O)NNC(=O)c1coc(C(N)=O)c1 758998879 UHOKWWXIIRJQMD-UHFFFAOYSA-N 239.231 -0.205 50 20 BBGD CCOCC(C)=NNC(=O)NCC(=O)OC 779822544 FPRAFYBMZYZGOY-UHFFFAOYSA-N 231.252 -0.129 50 20 BBGD CCNC(=O)NNC(=O)Cc1cnn(CC)c1 780469609 CSARGSVTGGMOLY-UHFFFAOYSA-N 239.279 -0.204 50 20 BBGD C[C@H](O)C(=O)NNC(=O)C1CCCC1 786757952 LQBIHBWGYFUMOX-LURJTMIESA-N 200.238 -0.295 50 20 BBGD Cc1cnn(C)c1C=NNC(=O)CN(C)C 794902770 UITTUODZGHAGKY-UHFFFAOYSA-N 223.280 -0.260 50 20 BBGD O=C(Cc1cc[nH]n1)NN=Cc1cc[nH]n1 814955665 QZTFZBROYBWXDG-UHFFFAOYSA-N 218.220 -0.174 50 20 BBGD O=C1C[C@H](C(=O)NNC(=O)C2CCCC2)N1 821751000 ZBRVLCQCMQRGRX-SSDOTTSWSA-N 225.248 -0.788 50 20 BBGD CCN(CCO)NC(=O)Cc1cnn(C)c1C 823884946 PRTSZRZGMLLJCO-UHFFFAOYSA-N 240.307 -0.384 50 20 BBGD CC(=NNC(=O)NCC(=O)O)[C@H]1CCCO1 833384439 JGIFXLRHJLOVAR-SSDOTTSWSA-N 229.236 -0.075 50 20 BBGD CC(C)C(=O)NNC(=O)[C@H](C)NC(=O)O 833467949 YNGDYUYKBJYXHN-YFKPBYRVSA-N 217.225 -0.554 50 20 BBGD COC(=O)NNC(=O)C1CC(OC)C1 863854185 KTZWUROMFGPIFJ-UHFFFAOYSA-N 202.210 -0.201 50 20 BBGD CCC[C@H](OCC)C(=O)NNC(=O)CN(C)C 863864904 BBFZSNJZNQPOQM-VIFPVBQESA-N 245.323 -0.099 50 20 BBGD CC(=O)NNS(=O)(=O)c1cc(C)ns1 872331468 JPZQVGXALNBQPO-UHFFFAOYSA-N 235.290 -0.219 50 20 BBGD OB(O)c1ccc(CNC2CSC2)cc1 877634717 VABPQXGKKMFQEC-UHFFFAOYSA-N 223.106 -0.429 50 20 BBGD C[C@@H]1Cc2cc(C=NNC(=O)C(N)=O)ccc2O1 901125994 BCHMWLXUKNWHQX-SSDOTTSWSA-N 247.254 -0.055 50 20 BBGD C[C@H](O)CN(C)NC(=O)[C@H]1C[C@@]12CCOC2 910161293 UQHNWFTYRZSVSP-IQJOONFLSA-N 228.292 -0.243 50 20 BBGD Cc1cnn(CCC(=O)NN(C)C[C@@H](C)O)c1 910167229 FLFFXLHUOVLRRW-SNVBAGLBSA-N 240.307 -0.075 50 20 BBGD CN(C)CC[C@@H](N)C(=O)NNc1ncccn1 1118337999 VIMSGIILULBQIF-MRVPVSSYSA-N 238.295 -0.801 50 20 BBGD O=C(NCc1cc[nH]n1)NNC(=O)c1ccc[nH]1 1319048394 ZLLDGEFQMOACOK-UHFFFAOYSA-N 248.246 -0.118 50 20 BBGD C[C@@H](O)C(=O)NNC(=O)NCC1CC1 1320750249 HQEGRQPEIOUATC-RXMQYKEDSA-N 201.226 -0.892 50 20 BBGD COC(=O)C(=O)NN=Cc1cnn(C)c1Cl 1324924614 AWVHUPCBVJZWJX-UHFFFAOYSA-N 244.638 -0.303 50 20 BBGD CO[C@@H](C(=O)O)C(=O)NNC(=O)CC(C)C 1604434753 MUCCFQRUEKAWJV-SSDOTTSWSA-N 232.236 -0.721 50 20 BBGD CC[C@H](C)[C@@H](NNC(=O)C(=O)OC)C(=O)O 1604949053 YBYIJVRPAKWBEH-NTSWFWBYSA-N 232.236 -0.721 50 20 BBGD C[C@H]1CN(S(=O)(=O)CCl)C[C@@H](CO)O1 230003166 WLJMIVPNYDUSLK-BQBZGAKWSA-N 243.712 -0.406 50 20 BBGD O=C(CN1CCCCC1=O)NNc1cccnn1 265542632 NPKBHFSGUOHAGY-UHFFFAOYSA-N 249.274 -0.068 50 20 BBGD C[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)C1 584959708 DCNNJZMKTHRCPF-SECBINFHSA-N 233.076 -0.152 50 20 BBGD Cc1cc(C)n(CC(=O)NNC(=O)[C@@H](C)C#N)n1 735836672 MKYSYJADUISGAA-ZETCQYMHSA-N 249.274 -0.193 50 20 BBGD CCC(=O)NNC(=O)[C@H](C)N(C)C[C@H](C)O 764280416 VPSGZXXSRDHFLC-YUMQZZPRSA-N 231.296 -0.755 50 20 BBGD CCN(CCO)NC(=O)c1ccn(C)c1 823865321 NEWGUWPSBYJCSI-UHFFFAOYSA-N 211.265 -0.016 50 20 BBGD CCNC(=O)N(C)NC(=O)[C@H](N)C(C)C 831945407 PSFYFXIJMKUTOA-SSDOTTSWSA-N 216.285 -0.338 50 20 BBGD CCOCCC(=O)NNC(=O)c1cccnn1 882059793 MRVJNBVFRWBKIL-UHFFFAOYSA-N 238.247 -0.336 50 20 BBGD CO[C@@H](C)CC(=O)NN(C)C[C@@H](C)O 910165082 GIJIVXGJDMPAKC-SFYZADRCSA-N 204.270 -0.245 50 20 BBGD CCN1C[C@@H](C(=O)NN(C)C[C@H](C)O)CC1=O 910174188 SDPKBRWAHCCQSJ-IUCAKERBSA-N 243.307 -0.801 50 20 BBGD CCNC(=O)NNC(=O)Cn1cccn1 920858189 JQMXVIKQPGVUKH-UHFFFAOYSA-N 211.225 -0.767 50 20 BBGD C#CCN(CC(=O)NNC(=O)C1CC1)C(C)C 932387168 ABTJEOAGUGJLAB-UHFFFAOYSA-N 237.303 -0.113 50 20 BBGD O=C(NN=c1cc[nH]cc1)c1n[nH]cc1[N+](=O)[O-] 1320053563 NPNIFUYHJQXBJB-UHFFFAOYSA-N 248.202 -0.108 50 20 BBGD CNC(=O)NNC(=O)c1c(C)cc(C)nc1O 1330313819 IFCPJWLHJDMKFL-UHFFFAOYSA-N 238.247 -0.022 50 20 BBGD CCNC(=O)N(C)NC(=O)c1noc(C)n1 1337413530 LGTSNZCENXNVEZ-UHFFFAOYSA-N 227.224 -0.316 50 20 BBGD CC[C@@H](C(=O)O)C(=O)NNC(=O)OC 1594755370 IDSYFXDMWFLKAS-SCSAIBSYSA-N 204.182 -0.516 50 20 BBGD Cc1nnc(NNC(=O)[C@H](C)C(=O)O)nc1O 1605444737 SPLKLDNRXLLCHN-VKHMYHEASA-N 241.207 -0.951 50 20 BBGD CC(=O)NNC(=O)Cn1ccc(C)cc1=O 71513510 NTDJAUSWTKJCAU-UHFFFAOYSA-N 223.232 -0.676 50 20 BBGD CNC(=O)NNC(=O)C[C@@H]1CCCCO1 87188552 YLFRRIZKOKXNQD-ZETCQYMHSA-N 215.253 -0.094 50 20 BBGD CCOC(=O)NNC(=O)CN1CSCC1=O 105009587 GRUYAOSQXJTZKX-UHFFFAOYSA-N 247.276 -0.703 50 20 BBGD CCn1nccc1/C=C/C(=O)NN(C)C(N)=O 272202647 PVTHZFHKSKUDEU-SNAWJCMRSA-N 237.263 -0.042 50 20 BBGD C=CCOc1cccnc1C(=O)NCB(O)O 585063191 VUYMPUUWHQXIMM-UHFFFAOYSA-N 236.036 -0.612 50 20 BBGD O=C([C@@H](O)c1ccccc1)N1CC[C@@H](B(O)O)C1 585066890 SIVUREZHCSJWHD-MNOVXSKESA-N 249.075 -0.205 50 20 BBGD CC[C@@H](OC)C(=O)N1CC[C@H](B(O)O)C1 585074623 BQGBEHHIZIVZFQ-JGVFFNPUSA-N 215.058 -0.513 50 20 BBGD O=C(CN1CCCC1=O)NNc1cccnn1 736698858 TWJJCBUFUGSGRW-UHFFFAOYSA-N 235.247 -0.458 50 20 BBGD COCC(=NNC(=O)C(N)=O)C(C)C 741451215 DXIIOIJGYDTEGZ-UHFFFAOYSA-N 201.226 -0.754 50 20 BBGD CS(=O)(=O)NNC(=O)c1ccc(C#N)cc1 747072818 PIHSEORALGGSOL-UHFFFAOYSA-N 239.256 -0.248 50 20 BBGD CCN(CCO)NC(=O)c1ccn(COC)n1 823888987 DNLVOMBYHIDTET-UHFFFAOYSA-N 242.279 -0.554 50 20 BBGD C#CCO[C@@H](C)C(=O)NN(C)[C@@H](C)CO 823917253 GIHFNVIHGAEZAV-IUCAKERBSA-N 214.265 -0.632 50 20 BBGD CO[C@@H](C)CC(=O)NN(C)[C@H](C)CO 823964837 FANIRHLRCSEBOZ-SFYZADRCSA-N 204.270 -0.245 50 20 BBGD CN(NC(=O)c1cc(O)n(C)n1)C1CC1 854983486 IMRHYKCZOXBCJU-UHFFFAOYSA-N 210.237 -0.135 50 20 BBGD CCn1cc(C=NNC(=O)c2cnn(C)c2)nn1 901196860 TTXDEAVLBRTKHY-UHFFFAOYSA-N 247.262 -0.205 50 20 BBGD CN1C(=O)CCC[C@H]1C(=O)NNc1ccncn1 908551013 LVHSTSJDFDNLIL-QMMMGPOBSA-N 249.274 -0.069 50 20 BBGD CCOCC(=O)NNC(=S)N[C@@H](C)COC 913514782 FZODASGTICEMHZ-ZETCQYMHSA-N 249.336 -0.447 50 20 BBGD NC(=O)[C@H]1CC[C@@H]1C(=O)NNc1ncccn1 1118369230 XWIPZAACUMHFEM-BQBZGAKWSA-N 235.247 -0.569 50 20 BBGD CC(=O)NNC(=O)c1ccnc(-n2cncn2)c1 1320256885 BVEWHZSQNQXHHC-UHFFFAOYSA-N 246.230 -0.557 50 20 BBGD CC1(CCNC(=O)NNC(=O)C(=O)O)CC1 1609821378 ALMSGZBAXSKDNF-UHFFFAOYSA-N 229.236 -0.408 50 20 BBGD CO[C@H](C)CC(=O)NNC(=O)c1cnn(C)c1 117681073 LDMOWHDCHDVEQA-SSDOTTSWSA-N 240.263 -0.394 50 20 BBGD COC(=O)N(C)NC(=O)C[C@H]1CCCC(=O)N1 290560607 ZBUIGZSQAAHXIH-SSDOTTSWSA-N 243.263 -0.225 50 20 BBGD CCC1(CNCc2ccc(B(O)O)o2)COC1 585044269 DHJGTZFNLSMYDF-UHFFFAOYSA-N 239.080 -0.524 50 20 BBGD C[C@@H]1CC(=NNC(=O)C(N)=O)CN1C1CC1 753954593 DYKAEVWLFOMDQW-ZCFIWIBFSA-N 224.264 -0.800 50 20 BBGD CC[C@@H]1CC[C@@H](C(=O)NN(C)C(N)=O)O1 778416889 KHDUDPIGDVMYJP-RQJHMYQMSA-N 215.253 -0.014 50 20 BBGD CN(NC(=O)[C@@H]1COCCO1)C1CC1 819646037 ZAGTUFQCCLMFOV-QMMMGPOBSA-N 200.238 -0.473 50 20 BBGD Cc1cnn(CC(=O)NN(C)[C@@H](C)CO)c1 823965705 SSMZEYCOUOISOQ-VIFPVBQESA-N 226.280 -0.465 50 20 BBGD CCO[C@H](C)C(=O)NN(C)[C@@H](C)CO 823971128 PFURGILRONBQBU-JGVFFNPUSA-N 204.270 -0.245 50 20 BBGD CCO[C@@H](CC)C(=O)NNC(=O)CN(C)C 839638063 HGNBMZFKJVFVSJ-QMMMGPOBSA-N 231.296 -0.490 50 20 BBGD C=C[C@@H](O)C(=O)NNC(=O)[C@@H]1CCCCO1 854682399 AEMCODCSCSJTQD-SFYZADRCSA-N 228.248 -0.750 50 20 BBGD CC[C@@H](NC(C)=O)C(=O)NN(C)C(=O)OC 868240986 MBKZFOOIVLPTLI-SSDOTTSWSA-N 231.252 -0.370 50 20 BBGD CO[C@]1(C(=O)NN(C)C(N)=O)CCSC1 897278268 QFCCUXBBLXYCTF-MRVPVSSYSA-N 233.293 -0.450 50 20 BBGD C=CCOCC(=O)NN(C)C[C@@H](C)O 910165844 OPMDNRIFDJUEST-MRVPVSSYSA-N 202.254 -0.467 50 20 BBGD NC(=O)c1cc(C(=O)NNc2ncccn2)co1 1254792832 FSXHDEFEOAYUIP-UHFFFAOYSA-N 247.214 -0.075 50 20 BBGD CNC(=O)NNC(=O)[C@@]1(F)CCOC1 1324036785 KCNILXVSQAFRFM-SSDOTTSWSA-N 205.189 -0.925 50 20 BBGD CNC(=O)NNC(=O)c1nccn2cc(C)nc12 1324610910 LURFZZZTWIWALM-UHFFFAOYSA-N 248.246 -0.388 50 20 BBGD O=C(NNc1ccncn1)[C@@]1(O)CCOC1 1329617182 IEESFHQRZWPVNW-SECBINFHSA-N 224.220 -0.929 50 20 BBGD C[C@H](C(=O)N1CC[C@@H](B(O)O)C1)N(C)C 1331983926 JSMKMFSVIGGSIX-HTQZYQBOSA-N 214.074 -0.988 50 20 BBGD O=C(CC1CC1)NNC(=O)[C@H]1CCC(=O)N1 1332903871 YSBRDGHKTAVHOF-SSDOTTSWSA-N 225.248 -0.788 50 20 BBGD Cn1cncc1CN1CC[C@@H](B(O)O)C1 1348489973 IYXRQQQQOMTCNF-MRVPVSSYSA-N 209.058 -0.531 50 20 BBGD Cc1cccc(C(=O)NNC(=O)c2c[nH]nn2)n1 104646284 BMFUBSDNLVJTNH-UHFFFAOYSA-N 246.230 -0.417 50 20 BBGD CNC(=O)NNC(=O)[C@H](C)CSC 264500097 LBOOQMGUVHNRKC-RXMQYKEDSA-N 205.283 -0.054 50 20 BBGD CN1C[C@H](C(=O)NNc2cnccn2)CC1=O 265135515 GWDIKYNHQDMAKE-SSDOTTSWSA-N 235.247 -0.602 50 20 BBGD COC[C@@H](NCc1ccc(B(O)O)o1)C1CC1 585029876 KSQBOVXSJKTKSJ-SNVBAGLBSA-N 239.080 -0.526 50 20 BBGD CN1CCCC[C@@H]1C(=O)N1CC[C@@H](B(O)O)C1 585068876 GOTIVBMQGOCESZ-NXEZZACHSA-N 240.112 -0.454 50 20 BBGD O=C(CO)NN=Cc1ccc(O)c(F)c1 776780974 SDKLDYHMWZCZBS-UHFFFAOYSA-N 212.180 -0.026 50 20 BBGD NC(=O)C(=O)NN=C1CCCC[C@H]1CCCO 814695664 LVDHLZYVHZRAIJ-QMMMGPOBSA-N 241.291 -0.093 50 20 BBGD C=C[C@](C)(O)CC(=O)NN(CC)CCO 823879093 DQTBCYYAWNKPJX-JTQLQIEISA-N 216.281 -0.341 50 20 BBGD CC(C)C[C@@H]1C[C@H]1C(=O)NNC(=O)CO 827895934 WXGGXMHIHMYEAL-HTQZYQBOSA-N 214.265 -0.192 50 20 BBGD CCNC(=O)N(C)NC(=O)C[C@H]1COCCN1 831944533 BIHJACQZGRWORG-QMMMGPOBSA-N 244.295 -0.943 50 20 BBGD COCCN(C)NC(=O)c1nn(C)cc1C 848378574 WITLJQCLQJOWLE-UHFFFAOYSA-N 226.280 -0.048 50 20 BBGD CCCCC(=O)NNC(=O)CS(C)(=O)=O 863458833 HVALYRGABOHTJZ-UHFFFAOYSA-N 236.293 -0.631 50 20 BBGD COC/C=C\C(=O)NNC(=O)C(C)C 864490215 BPLSGTFCJQDWJZ-PLNGDYQASA-N 200.238 -0.008 50 20 BBGD COc1nn(C)cc1C(=O)NNC(=O)C1CC1 883955723 IHDMSIDFEXSEFK-UHFFFAOYSA-N 238.247 -0.400 50 20 BBGD C[C@H]1CCN1C(=O)c1ccc(B(O)O)cc1 914166054 VLMBMAXIJZOWGV-QMMMGPOBSA-N 219.049 -0.399 50 20 BBGD CCn1cc(S(=O)(=O)NNC(C)=O)nc1C 1116672516 DLFQIMVCHKMYKO-UHFFFAOYSA-N 246.292 -0.459 50 20 BBGD COC(=O)C(=O)NNC(=O)N[C@H]1CCC1(C)C 1117485732 RZNNBWXURCPCDK-LURJTMIESA-N 243.263 -0.322 50 20 BBGD CNC(=S)N(C)NC(=O)C[C@H]1CCC(=O)N1 1328341171 SXPRNUXABTYVIC-ZCFIWIBFSA-N 244.320 -0.878 50 20 BBGD COC(=O)NNC(=O)[C@@H]1C[C@@H](N)C1(C)C 1578825109 UDMSOBQSGYPGMX-NTSWFWBYSA-N 215.253 -0.253 50 20 BBGD CO[C@@](C)(C(=O)O)C(=O)NNc1cccnn1 1593926582 KLQRDWYFMBBZJS-SECBINFHSA-N 240.219 -0.591 50 20 BBGD C[C@H](C(=O)O)C(=O)NNC(=O)c1cccn1C 1602805493 XIAUJELXVWRIDH-LURJTMIESA-N 239.231 -0.493 50 20 BBGD CC(=O)NNC(=O)c1cc(N(C)C)ccn1 195487482 PRYPFGNRLIJGFB-UHFFFAOYSA-N 222.248 -0.072 50 20 BBGD O=C(c1ccc(B(O)O)cc1)N1C[C@H]2CC[C@@H]2C1 585007425 MQCVIRGBZMOKEL-GHMZBOCLSA-N 245.087 -0.152 50 20 BBGD CO[C@H](C(=O)NCB(O)O)c1ccccc1 585056076 OKORNQWINPCCKP-VIFPVBQESA-N 223.037 -0.498 50 20 BBGD CCNC(=O)NNC(=O)[C@@H](C)OCCOC 733953768 NYPVJWDCWQWKLS-SSDOTTSWSA-N 233.268 -0.612 50 20 BBGD CCNC(=O)NNC(=O)[C@H](CC)OC 743900697 BVQCFOMXUNHECJ-LURJTMIESA-N 203.242 -0.238 50 20 BBGD CCNC(=O)CNC(=O)/C(C#N)=C\OCC 746510715 JSFRWFIGJFVZJL-FPLPWBNLSA-N 225.248 -0.317 50 20 BBGD CC(C)C(=O)NNC(=O)c1ccnn1C 748831595 ZYIOBPJQLGUNOQ-UHFFFAOYSA-N 210.237 -0.163 50 20 BBGD O=C(NN=C1COCCOC1)C(F)F 814902677 XQFSHVYISFUQKH-UHFFFAOYSA-N 208.164 -0.230 50 20 BBGD CC(C)CC(=O)NNC(=O)[C@@H]1CC[C@H]1C(N)=O 816831538 XODHVBAMDRIDHT-HTQZYQBOSA-N 241.291 -0.309 50 20 BBGD CS[C@@H](C)C(=O)NNC(=O)c1ncon1 832826339 XCLQPHOELMLGRO-BYPYZUCNSA-N 230.249 -0.418 50 20 BBGD C[C@H]1OCC[C@@H]1C(=O)NN=C1CCN(C)C1=O 842559692 JVYPIFJABLOYKX-SFYZADRCSA-N 239.275 -0.254 50 20 BBGD C=CCOCC(=O)NNC(=O)[C@H]1CCO[C@@H]1C 843654015 YTARHDKZXSRITL-BDAKNGLRSA-N 242.275 -0.239 50 20 BBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)C(C)(C)CO 848235926 PUOTUBSJCQLHPF-YUMQZZPRSA-N 244.291 -0.423 50 20 BBGD Cn1cccc1C(=O)NNC(=O)[C@H](O)C1CC1 854287944 QJYOPLYDWVZVDT-SECBINFHSA-N 237.259 -0.443 50 20 BBGD Cc1cc(=NNC(=O)C2(NC(N)=O)CC2)cc[nH]1 862513032 AKPQSCKUZSNXCV-UHFFFAOYSA-N 249.274 -0.544 50 20 BBGD COCCOCC(=O)NN=Cc1cn(C)cn1 872400834 UGXIWYQZIQWPES-UHFFFAOYSA-N 240.263 -0.467 50 20 BBGD Cc1n[nH]c(C)c1CC(=O)NN(C)C[C@H](C)O 910178875 GFIMSEWNTOVSSP-ZETCQYMHSA-N 240.307 -0.087 50 20 BBGD Cn1cncc1[C@@H]1C[C@H]1C(=O)NNc1nc[nH]n1 1161432008 UOXNEUNKMLBWCF-RNFRBKRXSA-N 247.262 -0.215 50 20 BBGD CC(=NNC(=O)C(N)=O)c1ccnc(F)c1 1257399112 LIGQGCZAGQLNAM-UHFFFAOYSA-N 224.195 -0.454 50 20 BBGD CC(=O)NNC(=O)[C@]1(C)CCN(C(C)=O)C1 1261252823 ABZQYLRJNGRKNC-SNVBAGLBSA-N 227.264 -0.588 50 20 BBGD CC(=O)NNC(=O)[C@@H](C)[C@H](C)S(C)(=O)=O 1321170522 QVJICMRFWAMIJJ-WDSKDSINSA-N 236.293 -0.777 50 20 BBGD CC(=NNC(=O)C(N)=O)c1c[nH]nc1C 1327798369 VJENWYMXCOVBQT-UHFFFAOYSA-N 209.209 -0.956 50 20 BBGD CC(C)C(=O)NNC(=O)c1cc(N)n(C)n1 1575398869 ROGJHHALMLZCFR-UHFFFAOYSA-N 225.252 -0.581 50 20 BBGD CC(C)NC(=S)NNC(=O)[C@H]1OCC[C@H]1N 1575723233 XPQCREHRMQZAOK-RQJHMYQMSA-N 246.336 -0.994 50 20 BBGD Cc1nnc(NNC(=O)[C@@H](C)C(=O)O)n1C 1594493177 SIWFUIUCYOCKRD-SCSAIBSYSA-N 227.224 -0.713 50 20 BBGD CC[C@@H]1CCC[C@H]1NC(=O)NNC(=O)C(=O)O 1595457975 VQQKBJYQXKUDIG-RNFRBKRXSA-N 243.263 -0.020 50 20 BBGD CCOC(=O)/C(C#N)=C/N[C@@H]1CCN(C)C1=O 172559004 JPZCDCUXFBITNF-FCZSHJHJSA-N 237.259 -0.223 50 20 BBGD CCOC(=O)C1(C(=O)NN(C)C(N)=O)CC1 272234721 WIIPCBXRDRKGCB-UHFFFAOYSA-N 229.236 -0.629 50 20 BBGD CCO/C=C(\C#N)C(=O)N[C@@]1(CO)CCOC1 490844434 QDEGDGIPBQBOND-OALRPVAKSA-N 240.259 -0.302 50 20 BBGD C[C@H](F)CCNCc1ccc(B(O)O)o1 585043476 PCMQBTRIKDQFHR-ZETCQYMHSA-N 215.033 -0.203 50 20 BBGD CNC(=O)C1(C(=O)NNC(=O)C2CC2)CCC1 729965907 ICLIXTILDHZSOU-UHFFFAOYSA-N 239.275 -0.540 50 20 BBGD C=C[C@@H](C)NC(=O)NNC(=O)c1cnn(C)c1 756973010 ACKBOKQDUKPZBG-SSDOTTSWSA-N 237.263 -0.061 50 20 BBGD CC(=O)NNC(=O)C(=O)Nc1cccc(F)c1 763514941 BGLQNFYSZWPFLT-UHFFFAOYSA-N 239.206 -0.069 50 20 BBGD CCNC(=O)NNC(=O)[C@@H](OC)C1CC1 792086370 VDEHKEJXXHLVIC-ZETCQYMHSA-N 215.253 -0.238 50 20 BBGD CCNC(=O)N(C)NC(=O)COC(F)F 803075668 FIDDSWDHYQYDBV-UHFFFAOYSA-N 225.195 -0.082 50 20 BBGD CNC(=O)NNC(=O)CN(C)CC(C)(C)C 874168570 DGMQOCYZZCLBIO-UHFFFAOYSA-N 230.312 -0.076 50 20 BBGD OC[C@H](NCc1ccc(B(O)O)cc1)C1CC1 877044600 DDBJVBBTIIJBKF-LBPRGKRZSA-N 235.092 -0.773 50 20 BBGD OB(O)c1cccc(CNC2CSC2)c1 877633958 IVEGGEBJENOSGJ-UHFFFAOYSA-N 223.106 -0.429 50 20 BBGD C#CCCCC(=O)NNC(=O)c1nc[nH]n1 887146001 ZYJZSWQDDNDGPX-UHFFFAOYSA-N 221.220 -0.631 50 20 BBGD CC[C@H](O)[C@@H](C)C(=O)NNC(=O)NC 900353285 PLBNPKNQSDXOHH-RITPCOANSA-N 203.242 -0.646 50 20 BBGD C[C@@H](O)CN(C)NC(=O)c1cccc2ncnn12 910151688 IJCYHZSZYQOKKX-MRVPVSSYSA-N 249.274 -0.313 50 20 BBGD CC(=O)N[C@@H](C(=O)NN(C)C[C@@H](C)O)C(C)C 910176691 DKDQZMJDZLMBQA-PSASIEDQSA-N 245.323 -0.509 50 20 BBGD CCOCCO[C@H](C)C(=O)NNC(=O)C1CC1 918142988 MUNQZWVGDJVXOV-MRVPVSSYSA-N 244.291 -0.015 50 20 BBGD CN(NC(=O)Cn1cnc(C#N)n1)C1CC1 1118154391 UJGVDQBUHBHXNB-UHFFFAOYSA-N 220.236 -0.725 50 20 BBGD Cc1nc(C=NNC(=O)C(N)=O)sc1C 1120342039 ISTLPYRRIXWNCC-UHFFFAOYSA-N 226.261 -0.305 50 20 BBGD CC(=O)NCC(=O)NNC(=S)NC(C)C 1248407508 UMCQMKNVUOQHQL-UHFFFAOYSA-N 232.309 -0.974 50 20 BBGD COC(=O)NNC(=O)c1c([N+](=O)[O-])cnn1C 1320260447 OJSBEKBTHBUWON-UHFFFAOYSA-N 243.179 -0.671 50 20 BBGD CCCNC(=O)NNC(=O)[C@H](C)CN 1574076760 YEKXJKMOWWLKKN-ZCFIWIBFSA-N 202.258 -0.678 50 20 BBGD COC(=O)N(C)NC(=O)[C@H]1CCCN1 1574082563 QFCJZCYQRLUBTK-ZCFIWIBFSA-N 201.226 -0.532 50 20 BBGD O=C(O)C1(C(=O)NNc2ncc(F)cn2)CC1 1594866740 BDCHHMIIOYKVDY-UHFFFAOYSA-N 240.194 -0.076 50 20 BBGD CN(CC(=O)NN)C(=O)c1cccs1 37390106 NRGKIOWTTABSIA-UHFFFAOYSA-N 213.262 -0.190 50 20 BBGD NC(=O)NN=C1CCS(=O)(=O)CC1 70044327 BVPYIVPZNYNPAV-UHFFFAOYSA-N 205.239 -0.781 50 20 BBGD CN(C)C(=O)NCCNS(=O)(=O)CCl 133478547 RFIGAOOGGQZLQO-UHFFFAOYSA-N 243.716 -0.627 50 20 BBGD O=C(NNc1ncnc2nc[nH]c12)[C@H]1CCCO1 156326764 WMSJIJWLROKQTA-ZCFIWIBFSA-N 248.246 -0.025 50 20 BBGD O=S(=O)(CCl)NC[C@@]1(O)CCOC1 227191525 JUHDCTNUCLLPEZ-LURJTMIESA-N 229.685 -0.747 50 20 BBGD COC(=O)N(C)NC(=O)Cc1nc[nH]c1C 286275351 IINLXNLWKDSDBE-UHFFFAOYSA-N 226.236 -0.010 50 20 BBGD COC(=O)NNC(=O)[C@@H](C)c1cnn(C)c1 495448621 PNROPXQQPUKARM-LURJTMIESA-N 226.236 -0.089 50 20 BBGD OB(O)c1ccc(CN[C@H]2CCC[C@@H](O)C2)o1 585033139 YOQAKBXNSLIVHC-DTWKUNHWSA-N 239.080 -0.648 50 20 BBGD C[C@@H](NCc1cccc(B(O)O)c1)c1cn[nH]c1 585033340 BFIQPHCUSYNXDT-SECBINFHSA-N 245.091 -0.060 50 20 BBGD O=S(=O)(CCc1ccccc1)NCB(O)O 585054676 POVSDVDBHRMJSD-UHFFFAOYSA-N 243.093 -0.840 50 20 BBGD CC(=O)N[C@H](CCC(C)C)C(=O)NCB(O)O 585063035 RQUREWZOOBRRID-SECBINFHSA-N 244.100 -0.945 50 20 BBGD CN(CC(=O)NNc1cnccn1)C(=O)O 737393652 RIRGXDURUUTAPG-UHFFFAOYSA-N 225.208 -0.471 50 20 BBGD CO[C@@H](C)CC(=O)NNC(=O)NC1CC1 749586502 VGQYIQIWCOQUFZ-LURJTMIESA-N 215.253 -0.096 50 20 BBGD CN(C)CC(=O)NNC(=O)C1(C)CCC1 750238350 DULSGOHYFPZWHT-UHFFFAOYSA-N 213.281 -0.114 50 20 BBGD O=C(Cn1cccn1)NNC(=O)c1ccncc1 765886089 KSNHXROKNURSKE-UHFFFAOYSA-N 245.242 -0.261 50 20 BBGD COc1ccnc(C(=O)NN(C)C(N)=O)c1 770436643 NISUTSBECZNBMG-UHFFFAOYSA-N 224.220 -0.255 50 20 BBGD COC1(C(=O)NNC(=O)N(C)C)CCC1 781956951 GUTGTYBUVWUPGX-UHFFFAOYSA-N 215.253 -0.142 50 20 BBGD Cn1nncc1C(=O)NNC(=O)C(C)(C)C 798894759 LQTTYDCNRQXRMP-UHFFFAOYSA-N 225.252 -0.378 50 20 BBGD CCNC(=O)N(C)NC(=O)[C@H](N)CCSC 831944648 DVBBVWZPJGQYHX-SSDOTTSWSA-N 248.352 -0.241 50 20 BBGD CC(C)NCC(=O)NNc1ncccn1 852787933 RNXTXNIVYRPOGV-UHFFFAOYSA-N 209.253 -0.082 50 20 BBGD CN(N=Cc1nnn(C(C)(C)C)n1)C(N)=O 853326460 ARUFOAZXUDWKEQ-UHFFFAOYSA-N 225.256 -0.228 50 20 BBGD CCO/C=C(\C#N)C(=O)NN(C)C(=S)NC 854923291 QEONQCFQVKZTSQ-VOTSOKGWSA-N 242.304 -0.102 50 20 BBGD Cc1c(C(=O)NNC(=O)NC(C)C)nnn1C 1116125072 HCJWKXLRGOQVJO-UHFFFAOYSA-N 240.267 -0.524 50 20 BBGD Cc1csc(C(=O)NNC(=O)CCO)n1 1116609794 KVOSBTRUZYUBDC-UHFFFAOYSA-N 229.261 -0.405 50 20 BBGD COC(=O)C(=O)NNC(=O)N[C@@H]1C=CCCC1 1323793333 GFSCZYXLRLJEAZ-SSDOTTSWSA-N 241.247 -0.402 50 20 BBGD CC#CCNC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 1325974860 HRAXJKARWGWYMX-RKDXNWHRSA-N 239.275 -0.235 50 20 BBGD CNC(=O)NNC(=O)c1nccnc1C 1327814863 QRTCWGSXLFGOLW-UHFFFAOYSA-N 209.209 -0.641 50 20 BBGD CCN(CCO)NC(=O)C1(CO)CCOCC1 1330878338 AGHNPCHHRIDBEC-UHFFFAOYSA-N 246.307 -0.879 50 20 BBGD N#CC(C#N)=CNC[C@H]1CC[C@@H](C(N)=O)O1 1332658540 VALOBQKQKOHOGS-BDAKNGLRSA-N 220.232 -0.460 50 20 BBGD C[C@@H]1NCC[C@H]1C(=O)NNC(=O)c1cccnn1 1576886967 WANRNILKGPURKK-JGVFFNPUSA-N 249.274 -0.764 50 20 BBGD CO[C@H](C)CC(=O)NNC(=O)c1c[nH]nc1C 110759334 ONTKQIPAEFYEIM-ZCFIWIBFSA-N 240.263 -0.096 50 20 BBGD O=C(CO)NNC(=O)c1cnc2ccccc2n1 182750338 FVSCRPURJUDUBA-UHFFFAOYSA-N 246.226 -0.617 50 20 BBGD C[C@H]1CC[C@@H](C(=O)NNC(=O)C(F)F)O1 293847800 HJWOKNARJJUXOA-WHFBIAKZSA-N 222.191 -0.034 50 20 BBGD CCCOCC(=O)NNc1nccn(C)c1=O 747937338 BROPVJNHQFTLIP-UHFFFAOYSA-N 240.263 -0.350 50 20 BBGD COc1ccnc(NNC(=O)[C@H](C)N(C)C)n1 750019105 YTPIYBPNLPRPDY-ZETCQYMHSA-N 239.279 -0.122 50 20 BBGD COCC(C)=NNC(=O)[C@@H]1CCS(=O)(=O)C1 750932152 GCDIDYAJIXOPFO-MRVPVSSYSA-N 248.304 -0.440 50 20 BBGD CCNC(=O)NNC(=O)[C@@H](O)c1cccnc1 764879460 DUHFPRQBPFWNCK-QMMMGPOBSA-N 238.247 -0.535 50 20 BBGD O=C(CO)NNC(=O)c1ccc(O)c(F)c1 768731802 VWPUSFYDCATQLX-UHFFFAOYSA-N 228.179 -0.715 50 20 BBGD Cn1nncc1C=NNC(=O)N=c1cc[nH]cc1 815000509 MLGYNZBBEGLBAW-UHFFFAOYSA-N 245.246 -0.212 50 20 BBGD CCN(CCO)NC(=O)C[C@@H]1CCC(=O)N1C 823888956 CFBXYKGSLPUJAQ-VIFPVBQESA-N 243.307 -0.657 50 20 BBGD C[C@@H](CO)N(C)NC(=O)[C@H]1C[C@H]2CC(=O)[C@@H]1C2 823918573 YJWFPKWYEVZYMK-QEYWKRMJSA-N 240.303 -0.055 50 20 BBGD CCO[C@H](C(=O)NNC(=O)C(C)(C)O)C1CC1 861206185 RPWFQVICJOOGIA-QMMMGPOBSA-N 244.291 -0.280 50 20 BBGD CC(C)[C@H](NC=O)C(=O)NNC(=O)CC1CC1 861839791 CGZAKUMQOVKQSJ-JTQLQIEISA-N 241.291 -0.296 50 20 BBGD COC(=O)[C@@H](C)NCc1ccc(B(O)O)cc1 863890675 BOHRNSWNFMWDAK-MRVPVSSYSA-N 237.064 -0.983 50 20 BBGD COC1CC(C(=O)NNc2nc[nH]n2)C1 863916835 LEWYFWVMPMHFIF-UHFFFAOYSA-N 211.225 -0.327 50 20 BBGD CNC(=O)NNC(=O)[C@@H]1CCN1C1CCCC1 864392558 RSFFMNCKOQBWDD-VIFPVBQESA-N 240.307 -0.037 50 20 BBGD COC[C@H](C)NC(=O)NNC(=O)c1ccc[nH]1 890158709 KSBXKBVWJKSOCZ-ZETCQYMHSA-N 240.263 -0.006 50 20 BBGD CC(=O)NNC(=O)Cn1ncc2cc(C)cnc21 891627468 YBMAEGZUDUMIHF-UHFFFAOYSA-N 247.258 -0.093 50 20 BBGD CCO/C=C(\C#N)C(=O)N=c1nc[nH]n1C 901083232 HXVFHINBUMEOSD-FNORWQNLSA-N 221.220 -0.381 50 20 BBGD NC(=O)[C@@H]1C[C@@H]1C(=O)NNc1cccc(F)n1 908172410 ZVOGGJDXBGYNTA-RITPCOANSA-N 238.222 -0.215 50 20 BBGD CCCCS(=O)(=O)CC(=O)NNC(C)=O 929183098 SSTFWCCIEJETBE-UHFFFAOYSA-N 236.293 -0.631 50 20 BBGD COC(=O)NNC(=S)NCc1ccon1 1116287060 YRDNETVHELVOSO-UHFFFAOYSA-N 230.249 -0.090 50 20 BBGD CC(=NNC(=O)C(N)=O)c1cnoc1C 1116908202 BNBCXZPOLYZTEJ-UHFFFAOYSA-N 210.193 -0.691 50 20 BBGD CCNC(=O)NNC(=O)c1cnn2ccncc12 1321202509 NHOYDINVYABPSX-UHFFFAOYSA-N 248.246 -0.307 50 20 BBGD CNC(=O)NNC(=O)c1ccncc1C 1324352138 NGABBHCOBAJDAB-UHFFFAOYSA-N 208.221 -0.036 50 20 BBGD NC(=O)CCCC(=O)NNC(=O)C1CC1 1324683487 IFUANSYPQNNNFW-UHFFFAOYSA-N 213.237 -0.801 50 20 BBGD CN(C)C(=O)NNC(=O)c1cnccc1C#N 1327656452 DDXKIACAGULTNV-UHFFFAOYSA-N 233.231 -0.131 50 20 BBGD C[C@H](C(=O)NN=c1cc[nH]cc1)[C@H]1CCC(=O)N1 1328932469 LTNMGFXLTLGFES-WCBMZHEXSA-N 248.286 -0.139 50 20 BBGD Cc1ccc(C=NNC(=O)[C@H]2CCC(=O)N2)nn1 1329556528 HMYFDSNAMTWJTE-SECBINFHSA-N 247.258 -0.486 50 20 BBGD C[C@H](CO)N(C)NC(=O)CCc1cnn[nH]1 1329806277 JHQYTVRXNPLFLT-SSDOTTSWSA-N 227.268 -0.919 50 20 BBGD CC(C)OCC(=O)NNc1cnnn1C 1347709385 MPAUUGDKRNRQKB-UHFFFAOYSA-N 213.241 -0.317 50 20 BBGD CCn1cc(C(=O)N2CC[C@@H](B(O)O)C2)cn1 1351729966 SDZKITHHNOBCHC-SECBINFHSA-N 237.068 -0.408 50 20 BBGD C[C@@H](C(=O)O)C(=O)NNC(=O)C(C)(C)C 1588574047 UGABJPYSSZOZMQ-RXMQYKEDSA-N 216.237 -0.099 50 20 BBGD C[C@@H](CO)N(C)NC(=O)C1(C(=O)O)CC1 1603201486 DHJBYCRWKGYKRN-LURJTMIESA-N 216.237 -0.805 50 20 BBGD O=C(O)[C@@H]1CN(S(=O)(=O)CCl)CCO1 1606048847 YGGHSDWIAHTNHM-YFKPBYRVSA-N 243.668 -0.702 50 20 BBGD O=C(NNC(=O)C1CC1)c1cnccn1 26968142 PGDANQIMYPMWOM-UHFFFAOYSA-N 206.205 -0.352 50 20 BBGD CN(CC(=O)NNC(=O)C1CC1)[C@@H]1CCOC1 112981493 WLERNDWFYZEFMS-SECBINFHSA-N 241.291 -0.736 50 20 BBGD O=C(NNC(=O)c1ccc[nH]1)c1cnsn1 126535946 KQOBALYIOSXRJA-UHFFFAOYSA-N 237.244 -0.059 50 20 BBGD CC(C)(C)OC(=O)NNC(=O)Cn1cnnn1 263696221 NNUUSGMSUSNNJV-UHFFFAOYSA-N 242.239 -0.771 50 20 BBGD CCOC(=O)NNC(=O)[C@H]1CCNC(=O)C1 493284669 KAAWWUMWHLMBEP-LURJTMIESA-N 229.236 -0.710 50 20 BBGD O=C(NCC1(O)CCC1)c1cccc(B(O)O)c1 584949468 LXJJNVVKXDXHRD-UHFFFAOYSA-N 249.075 -0.989 50 20 BBGD CC(=NNC(=O)C(N)=O)c1ccc(F)cc1O 727776988 LBABOHAXKISJHK-UHFFFAOYSA-N 239.206 -0.143 50 20 BBGD CC[C@@H](OC)C(=O)NNC(=O)Cc1cc[nH]n1 755284121 KOXHTSZZQDJSAJ-MRVPVSSYSA-N 240.263 -0.475 50 20 BBGD COCC(=O)NNC(=O)Nc1cnc(C)nc1 756366003 CWLFNRAYKPOUKJ-UHFFFAOYSA-N 239.235 -0.416 50 20 BBGD COC(=O)CNC(=O)NN=Cc1[nH]cnc1C 779822740 HBBUHPPFSWLYAB-UHFFFAOYSA-N 239.235 -0.476 50 20 BBGD O=C(NNc1ncccn1)c1cc([N+](=O)[O-])n[nH]1 795047885 RIOMLTMOAPTKPI-UHFFFAOYSA-N 249.190 -0.135 50 20 BBGD C=CCNC(=S)NNC(=O)[C@@H](CC)CO 798305427 OMTGLPXNGMMXEB-ZETCQYMHSA-N 231.321 -0.314 50 20 BBGD CCNC(=O)CCCC(=O)NN(C)[C@@H](C)CO 823959618 MPGRACHWCWZENP-VIFPVBQESA-N 245.323 -0.363 50 20 BBGD COCCCC(=O)NNC(=O)c1cc[nH]n1 855359524 VIQXKOZELKBFFB-UHFFFAOYSA-N 226.236 -0.403 50 20 BBGD N#CCN(C(=O)c1ccc(B(O)O)cc1)C1CC1 863871281 HQQRIHVMUHNIRT-UHFFFAOYSA-N 244.059 -0.505 50 20 BBGD CCNC(=O)NNC(=O)[C@H](C)[C@@H](O)CC 900386533 ZKQSADZPHMZFPF-RQJHMYQMSA-N 217.269 -0.256 50 20 BBGD Cn1cc([C@@H](O)CNC(=O)CCl)cn1 1323269776 QLMIZNYKJRHQTI-ZETCQYMHSA-N 217.656 -0.192 50 20 BBGD Cc1cnn(C)c1/C=C(\C#N)S(N)(=O)=O 1323517899 NEJYTTVNMWXSII-XVNBXDOJSA-N 226.261 -0.119 50 20 BBGD CC[C@@H](N)C(=O)NNc1nncc(N)c1Cl 1326339524 XAOMRYZPFLMEKR-SCSAIBSYSA-N 244.686 -0.107 50 20 BBGD NCCCC(=O)NNC(=O)c1nccs1 1331210541 QHZUVIJQIDLOPK-UHFFFAOYSA-N 228.277 -0.357 50 20 BBGD CCNC(=O)N(C)NC(=O)c1ncccn1 1331483818 GHQBQVUVTPTUEY-UHFFFAOYSA-N 223.236 -0.217 50 20 BBGD CNC(=S)N(C)NC(=O)CCn1cncn1 1334438446 BNZIXDUQUQPYPW-UHFFFAOYSA-N 242.308 -0.865 50 20 BBGD Cn1cnc(C(=O)NNc2ncccn2)c1 1340677055 RQUKQPLRJZHDEV-UHFFFAOYSA-N 218.220 -0.033 50 20 BBGD Nc1ccnc(C(=O)NNC(=O)C2CC2)c1 1345491911 PYWKYNJFDMOMDX-UHFFFAOYSA-N 220.232 -0.165 50 20 BBGD CN(C)C(=O)NNC(=O)Cc1ncc[nH]1 1347387897 XLFMOBFBCZRHIJ-UHFFFAOYSA-N 211.225 -0.745 50 20 BBGD O=C(O)c1ccc(C(=O)NNC(=O)C2CC2)nc1 1595220776 DLGLOYFHRLNDBL-UHFFFAOYSA-N 249.226 -0.049 50 20 BBGD N#CC1=CCN(C(=O)c2nnc(O)nc2O)CC1 1631967935 YMWORJGKLZCNPF-UHFFFAOYSA-N 247.214 -0.421 50 20 BBGD C[C@H](C(=O)NN)N1C(=O)NC2(CCCC2)C1=O 113188944 NFNFRCDTMSSIJO-ZCFIWIBFSA-N 240.263 -0.771 50 20 BBGD CC(=O)NNS(=O)(=O)C[C@H]1CCCCO1 163405361 QTNDYKANJFNDGS-MRVPVSSYSA-N 236.293 -0.474 50 20 BBGD CCNC(=O)NN=Cc1c(C)nn(C)c1N 382404143 RHXMDSDCQOBSEE-UHFFFAOYSA-N 224.268 -0.036 50 20 BBGD O=C(/C=C/c1ccc[nH]1)NNC(=O)CO 492990225 GJQGPGACOJUMJZ-ONEGZZNKSA-N 209.205 -0.832 50 20 BBGD COC(=O)NNC(=O)[C@@H](C)OC[C@@H]1CCCO1 495449685 YYPQTJQUHOMEEA-SFYZADRCSA-N 246.263 -0.042 50 20 BBGD OCCC1(CNCc2ccc(B(O)O)o2)CC1 585036621 KLXWRVQYUGYJOJ-UHFFFAOYSA-N 239.080 -0.788 50 20 BBGD Cn1cc(C(=O)NCB(O)O)c2ccccc21 585061348 QHJYVPNUWNHAFU-UHFFFAOYSA-N 232.048 -0.080 50 20 BBGD O=C(O)[C@]1(C(=O)NCB(O)O)C[C@H]2CC[C@H]1C2 585063320 XNVHOMCOHMXSLR-MHYGZLNHSA-N 241.052 -0.994 50 20 BBGD CO[C@H](C)CC(=O)NNC(=O)C(=O)NC(C)C 749563798 QQIJZRYATGUMGY-SSDOTTSWSA-N 245.279 -0.917 50 20 BBGD COc1cc(C(=O)NNC(=O)C2CC2)on1 753772168 VGMMCULBAQSCHZ-UHFFFAOYSA-N 225.204 -0.146 50 20 BBGD CCCNC(=O)NNC(=O)[C@H]1CCCO1 755673561 JEMCVAMHVDFFSB-SSDOTTSWSA-N 215.253 -0.094 50 20 BBGD O=C(Cc1ccncc1)NNC(=O)C1(O)CCC1 773240752 BHKNXFIDAJMKNI-UHFFFAOYSA-N 249.270 -0.314 50 20 BBGD CCn1nc(C)c(C=NNC(=O)CO)c1C 776780229 YDOLQXKPFAOGJV-UHFFFAOYSA-N 224.264 -0.038 50 20 BBGD O=C(CO)NN=Cc1ccc(O)c(C(=O)O)c1 777442360 HWMFSYPPZCLKJI-UHFFFAOYSA-N 238.199 -0.467 50 20 BBGD CNC(=O)NNC(=O)Cc1ncccc1F 792086682 XLKHEFHVPFSPPB-UHFFFAOYSA-N 226.211 -0.277 50 20 BBGD CO[C@@H](C(=O)NNC(=O)C(C)(C)O)C1CC1 792478764 KIEHUOGIVZPWFZ-SSDOTTSWSA-N 230.264 -0.670 50 20 BBGD COC[C@H](CO)NC(=O)NNC(=O)C(C)(C)C 792928514 JHOXRJBILWXFIQ-ZETCQYMHSA-N 247.295 -0.630 50 20 BBGD CC[C@H](CO)C(=O)NNC(=O)CC1CC1 819144603 PHMIDJVYYLCTKC-MRVPVSSYSA-N 214.265 -0.048 50 20 BBGD C[C@@H](C(=O)NNC(=O)[C@@H]1CCCCO1)N(C)C 823236805 FTBOMJMJHJKLRH-IUCAKERBSA-N 243.307 -0.347 50 20 BBGD C[C@H](CO)N(C)NC(=O)C[C@@H]1CCCO1 823970211 DCMYRQJIGVAWBT-BDAKNGLRSA-N 216.281 -0.101 50 20 BBGD CC(C)NC(=O)NNC(=O)[C@H](O)C1CC1 824403984 IMNUXYVNBWZOTP-SSDOTTSWSA-N 215.253 -0.504 50 20 BBGD CC(C)CC(=O)NNC(=O)c1ncon1 832821589 UXOVGKJREJMWJS-UHFFFAOYSA-N 212.209 -0.123 50 20 BBGD CO[C@@H](C)CCC(=O)NNC(=O)c1cn[nH]c1 862471263 XWGBMLOPNWRKHC-ZETCQYMHSA-N 240.263 -0.014 50 20 BBGD Cc1cc(C(=O)NN(C)C(N)=O)ncn1 1116530944 TVMOBXPGLUIOLX-UHFFFAOYSA-N 209.209 -0.560 50 20 BBGD Cc1nc(C)c(C(=O)NN(C)C(N)=O)[nH]1 1118826293 AUZSPWQMKCGHGX-UHFFFAOYSA-N 211.225 -0.318 50 20 BBGD CNC(=O)NNC(=O)c1ncn(C(C)(C)C)n1 1261216560 DAKGWHFRPQTRLE-UHFFFAOYSA-N 240.267 -0.393 50 20 BBGD CC(C)(O)C(=O)NNC(=O)c1ccnc(O)c1 1320807519 GLWXJCNIMAZXIF-UHFFFAOYSA-N 239.231 -0.681 50 20 BBGD CCNC(=O)NNC(=O)c1cc(O)n(C)n1 1330787524 SPLCXQDYHYHKFJ-UHFFFAOYSA-N 227.224 -0.910 50 20 BBGD C[C@H](C(=O)NNc1ncccn1)[C@@H]1CCC(=O)N1 1331298900 XWAFRLOUPGUPSY-YUMQZZPRSA-N 249.274 -0.166 50 20 BBGD C/C=C\C(=O)NNC(=O)C(=O)Nc1ccccn1 1331911300 QKTSBNYZDIQCJN-DJWKRKHSSA-N 248.242 -0.256 50 20 BBGD CSCC[C@@H](C)NC(=O)NNC(=O)C(=O)O 1607395704 LZAIZEPELCHVLA-RXMQYKEDSA-N 249.292 -0.457 50 20 BBGD Cn1c(C=NNC(N)=O)ccc1C(=O)O 1610597626 JSUXCPOVUKVSCD-UHFFFAOYSA-N 210.193 -0.275 50 20 BBGD CCNC(=S)NNC(=O)Cc1cc(C)n[nH]1 17514134 PIEWEPXVLRACQU-UHFFFAOYSA-N 241.320 -0.224 50 20 BBGD O=C1C[C@H](NS(=O)(=O)CCCCl)CN1 229357635 MOCNHLWJPHWANS-LURJTMIESA-N 240.712 -0.577 50 20 BBGD CN(NC(=O)CCNC(=O)C(C)(C)C)C(N)=O 271277835 KBOPIMGOFRTGOX-UHFFFAOYSA-N 244.295 -0.420 50 20 BBGD C[C@H](N)[C@H](C)C(=O)NNc1ncccn1 390614221 GFBWEKKEPCUIGK-BQBZGAKWSA-N 209.253 -0.097 50 20 BBGD CC#CCN(C)C(=O)c1cc(B(O)O)ccc1F 584995151 QEMRYVAHWFRCRS-UHFFFAOYSA-N 249.050 -0.399 50 20 BBGD C[C@H](CCCO)NCc1ccc(B(O)O)o1 585028467 KXSKLJBPCBSKFC-MRVPVSSYSA-N 227.069 -0.790 50 20 BBGD Cc1cccc(S(=O)(=O)NCB(O)O)c1F 585059331 JSIXZGTXAGLCSF-UHFFFAOYSA-N 247.056 -0.576 50 20 BBGD CCCCC[C@H](O)CC(=O)NCB(O)O 585060798 YWPQZMQMCLMFMF-QMMMGPOBSA-N 217.074 -0.554 50 20 BBGD O=C(O)NNS(=O)(=O)N1CCCCC1 738660084 BXGLZLBNUQHEBI-UHFFFAOYSA-N 223.254 -0.511 50 20 BBGD CC(=NNC(=O)C(N)=O)c1ccc2n[nH]cc2c1 794858505 LXMCKWRPCWCHPS-UHFFFAOYSA-N 245.242 -0.112 50 20 BBGD C[C@@H]1OCC[C@@H]1C(=O)NNc1nc[nH]n1 816633835 OIHQQVGJWZNQQJ-WDSKDSINSA-N 211.225 -0.327 50 20 BBGD C[C@@H](CO)N(C)NC(=O)c1csnn1 823971456 UOJQNAFVFILXSK-YFKPBYRVSA-N 216.266 -0.505 50 20 BBGD O=C(NNc1ncccn1)[C@@H]1C[C@H]2C[C@H]2N1 843382289 LMCQRXCDGDEDTM-PRJMDXOYSA-N 219.248 -0.330 50 20 BBGD CCOC(=O)[C@H](CC(=O)NNC(C)=O)C(C)=O 854154735 GSOAVBYRIKAIQF-MRVPVSSYSA-N 244.247 -0.688 50 20 BBGD C=C[C@](C)(O)CC(=O)NN(C)C(=S)NC 854920627 RDUIEPJXODFKNI-VIFPVBQESA-N 231.321 -0.219 50 20 BBGD Cc1cccc(NNC(=O)CCNC(N)=O)n1 862525436 PZWSURIJDPEQQB-UHFFFAOYSA-N 237.263 -0.108 50 20 BBGD O=C(NN=C1CCS(=O)(=O)C1)c1ccc[nH]1 912806674 XBUYHQMVBWCRAM-UHFFFAOYSA-N 241.272 -0.081 50 20 BBGD CCNC(=O)NNC(=O)Cn1cc(C)cn1 920858083 GNVFTAQTHMWROA-UHFFFAOYSA-N 225.252 -0.458 50 20 BBGD CNC(=O)NNC(=O)[C@H]1CCCc2nn[nH]c21 1118635674 WTBGEYCZTRRMIQ-YFKPBYRVSA-N 238.251 -0.815 50 20 BBGD CNC(=S)N(C)NC(=O)c1cncnc1 1261744702 NUBQUYMEZZDAMS-UHFFFAOYSA-N 225.277 -0.443 50 20 BBGD CN(C)C(=O)NNC(=O)c1cnn2ccncc12 1321043124 OLJNSYRYMZLPCI-UHFFFAOYSA-N 248.246 -0.355 50 20 BBGD COc1ccc(C(=O)NNC(=O)[C@@H](C)O)cc1 1324410489 YUTMPWLOCBHSCB-SSDOTTSWSA-N 238.243 -0.163 50 20 BBGD C[C@H]1CC(=NNC(=O)C(N)=O)CC[C@H]1C(=O)O 1327798117 QBKXPMSPKIWTFS-CAHLUQPWSA-N 241.247 -0.535 50 20 BBGD C[C@H](O)CN(C)NC(=O)[C@]1(F)CCOC1 1333346825 GHPNIEPHMBLUBX-CBAPKCEASA-N 220.244 -0.541 50 20 BBGD CC(C)C(=O)NNC(=O)NCc1ncn(C)n1 1337009976 KXSXVRABBFPNOT-UHFFFAOYSA-N 240.267 -0.699 50 20 BBGD CC(C)(O)C(=O)NNC(=O)CCCCCCN 1575379092 WRCOAVNZXSEWBX-UHFFFAOYSA-N 245.323 -0.186 50 20 BBGD CC(C)[C@]1(C)C[C@@H]1NC(=O)NNC(=O)C(=O)O 1603746411 UYCFEYMFUYQLOW-WKEGUHRASA-N 243.263 -0.164 50 20 BBGD COC[C@@](C)(NC(=O)CCl)C(=O)O 1606788231 VWZCRMWQZJTNCM-SSDOTTSWSA-N 209.629 -0.169 50 20 BBGD O=C(NNC(=O)c1ccccn1)C1=COCCO1 21001196 GFNBUFHWASSXAZ-UHFFFAOYSA-N 249.226 -0.269 50 20 BBGD CCS(=O)(=O)NCCCNC=C(C#N)C#N 123628255 AEQNCQITCVHDHV-UHFFFAOYSA-N 242.304 -0.164 50 20 BBGD COC(=O)N(C)NC(=O)CC1OCCCO1 495629754 VURWCUTZMHAZBZ-UHFFFAOYSA-N 232.236 -0.131 50 20 BBGD C[C@](O)(CNCc1cccc(B(O)O)c1)C1CC1 585024081 PVRVKRSYFFCFDW-ZDUSSCGKSA-N 249.119 -0.383 50 20 BBGD Cc1ccc(F)c(OCC(=O)NCB(O)O)c1 585061125 LORWAYYETQGZDN-UHFFFAOYSA-N 241.027 -0.359 50 20 BBGD Cc1ccc(CC(=O)NNC(=O)CO)cc1C 753452239 MJWVSQWPTKXHAU-UHFFFAOYSA-N 236.271 -0.014 50 20 BBGD CC(=O)NNC(=O)c1cc(C=O)[nH]c1C 773700875 KMRVMSFLIKOZRT-UHFFFAOYSA-N 209.205 -0.083 50 20 BBGD Cn1nccc1C=NNC(=O)C(C)(C)O 785457761 GCUZAWMBKIBJDC-UHFFFAOYSA-N 210.237 -0.359 50 20 BBGD C=C(CO)C(=O)NNc1nccc(OC)n1 791314747 CYPZFQSBTHVKCW-UHFFFAOYSA-N 224.220 -0.523 50 20 BBGD CCC(=O)NNC(=O)[C@H](C)N(C)C[C@@H](C)OC 796643424 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SFPGPWJMKISUBL-UHFFFAOYSA-N 238.251 -0.572 50 20 BBGD CC[C@@H](OC)C(=O)NNc1cnnn1C 1330425408 UIIMGTQWBDPHLS-ZCFIWIBFSA-N 213.241 -0.317 50 20 BBGD CC#CC(=O)NNC(=O)CNC(=O)c1ccco1 1339983108 JRAGIPGIJXTUFO-UHFFFAOYSA-N 249.226 -0.820 50 20 BBGD Cc1ncc(C(=O)NNC(=O)[C@H]2CCN2)s1 1579876121 QYCMMPIYMSEUOB-ZCFIWIBFSA-N 240.288 -0.426 50 20 BBGD C[C@@H](NNC(=O)COCC(=O)O)C(F)(F)F 1603250751 KRQWORJLEKQNPJ-SCSAIBSYSA-N 244.169 -0.341 50 20 BBGD OB(O)c1ccc(CN[C@@H]2CC[C@H]3C[C@H]32)o1 585042138 JOCIMSDLGDUQEN-FXBDTBDDSA-N 221.065 -0.153 50 20 BBGD C=Cc1ccc(S(=O)(=O)NCB(O)O)cc1 585059546 RKBWGJGDVJBFKB-UHFFFAOYSA-N 241.077 -0.380 50 20 BBGD O=C(O)c1cc2c(B(O)O)cccc2cn1 725328352 AAXGQLADVAGFAB-UHFFFAOYSA-N 216.989 -0.387 50 20 BBGD Cc1cc(C(=O)NNC(=O)Cc2cc[nH]n2)no1 730090465 BXESLJVVHCUTPD-UHFFFAOYSA-N 249.230 -0.290 50 20 BBGD COC(=O)C[C@@H](C)C(=O)NNC(C)=O 758909076 KNGMXHNTDHJBBU-RXMQYKEDSA-N 202.210 -0.647 50 20 BBGD CNC(=O)NNS(=O)(=O)N1CC[C@H](C)C1 777925050 XXCPOHMRQFFMIV-LURJTMIESA-N 236.297 -0.993 50 20 BBGD CN(NC(=O)CNC(=O)C1CC1)C1CC1 819648242 YPKTUILVOOKHNJ-UHFFFAOYSA-N 211.265 -0.362 50 20 BBGD COCCCNC(=O)NNC(=O)[C@H](O)C1CC1 823815550 HSLCRZGXLNWSRZ-MRVPVSSYSA-N 245.279 -0.876 50 20 BBGD CCN(CCO)NC(=O)CCC(C)=O 823834035 PBQJDAZVQWYTDI-UHFFFAOYSA-N 202.254 -0.299 50 20 BBGD CCN(CCO)NC(=O)[C@@H](C)N(C)C 823898488 XOLRGXPDZHVGRY-MRVPVSSYSA-N 203.286 -0.718 50 20 BBGD C[C@@H](CO)N(C)NC(=O)c1cnc2[nH]cnc2c1 823939115 FUOZFKZETIAMNM-ZETCQYMHSA-N 249.274 -0.085 50 20 BBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)C#CC1CC1 843967947 TVOXBHWWLJBJNH-SCZZXKLOSA-N 236.271 -0.028 50 20 BBGD CC(=O)NCC(C)(C)C(=O)NN(C)C(N)=O 845908246 VRCHWONHRVUWSA-UHFFFAOYSA-N 230.268 -0.810 50 20 BBGD C=CC(C)(C)C(=O)NNC(=O)[C@H]1CCC(=O)N1 862462818 YWVHDSDRQGLDBT-SSDOTTSWSA-N 239.275 -0.375 50 20 BBGD CCC(=O)NNC(=O)[C@@H](C)N(C)C[C@H](C)N 863567058 BIGFBCUYHHRPSI-JGVFFNPUSA-N 230.312 -0.789 50 20 BBGD C=CCN(C)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 1328718528 NMXPZVPKLGBERN-ZETCQYMHSA-N 240.263 -0.876 50 20 BBGD CC[C@H](F)C(=O)NNC(=O)COCCOC 1336026469 YCYBSAHVQBGLSY-ZETCQYMHSA-N 236.243 -0.455 50 20 BBGD O=C(CO)NN=Cc1cnc2ncccn12 1341840337 VWEYUZYMJDFLRF-UHFFFAOYSA-N 219.204 -0.828 50 20 BBGD C=CCNC(=S)NNC(=O)[C@@H]1NCC1(C)C 1573310194 HMWAUOPGFNRHSN-ZETCQYMHSA-N 242.348 -0.334 50 20 BBGD O=C(NNc1ccc(Cl)cn1)C1(O)CNC1 1574334080 MCVVHEJZNBGHDJ-UHFFFAOYSA-N 242.666 -0.488 50 20 BBGD CCC[C@H](O)C(=O)NNC(=O)CCCN 1577603380 DJEFHYWIEDTUNF-ZETCQYMHSA-N 217.269 -0.966 50 20 BBGD CC[C@H](NS(=O)(=O)CCl)C(=O)O 1597349444 JKGGZMKLPLTNNI-BYPYZUCNSA-N 215.658 -0.035 50 20 BBGD O=C(O)CC(=O)NN=c1cc[nH]c2cccnc12 1601888223 PKXBTOIAVIZQPP-UHFFFAOYSA-N 246.226 -0.031 50 20 BBGD CN(NC(=O)CC(C)(C)CC(=O)O)C(N)=O 1606179078 CIXTVNCJQPKNRF-UHFFFAOYSA-N 231.252 -0.081 50 20 BBGD O=C(NNC(=O)C12CC(C(=O)O)(C1)C2)C1CC1 1608477988 QUPBHHPPYSDFGO-UHFFFAOYSA-N 238.243 -0.201 50 20 BBGD O=C(NNC(=O)c1cnccn1)NC1CC1 11607444 GZUORYQFGSSZCT-UHFFFAOYSA-N 221.220 -0.417 50 20 BBGD CC1(O)CC(C(=O)Nc2cccc(B(O)O)c2)C1 584910621 COZYTOVRWGKEFD-UHFFFAOYSA-N 249.075 -0.534 50 20 BBGD CC[C@@H](C#N)C(=O)Nc1cccc(B(O)O)c1 584911202 HEGXEUMBCZTGMA-QMMMGPOBSA-N 232.048 -0.145 50 20 BBGD CC(C)[C@@H](C(=O)NNC(=O)N(C)C)N(C)C 732064147 YVBFHCKWZQRQHN-QMMMGPOBSA-N 230.312 -0.125 50 20 BBGD C[C@@H]1CC(=NNC(=O)C(N)=O)CCN1C 741451844 PSRNZWGYMXYYOS-ZCFIWIBFSA-N 212.253 -0.942 50 20 BBGD Cc1nc(CC(=O)NNC(=O)CO)c(C)s1 753436987 FRZDXHPFRWOWCH-UHFFFAOYSA-N 243.288 -0.558 50 20 BBGD CC(C)N1CC(=NNC(=O)C(N)=O)[C@H](C)C1 754253954 JRQDIJGDGYKHAX-SSDOTTSWSA-N 226.280 -0.696 50 20 BBGD COC[C@@](C)(O)C(=O)NNC(=O)CC1CC1 819123183 STGQDXMAXIPAAJ-SNVBAGLBSA-N 230.264 -0.669 50 20 BBGD COc1ccnc(NNC(=O)[C@@H](O)C2CC2)n1 821486438 ZTARSKXBJUSJNJ-QMMMGPOBSA-N 238.247 -0.301 50 20 BBGD CCNC(=O)N(C)NC(=O)[C@]1(C)CCNC1=O 821783225 DQDOCCMHPFRNNO-SNVBAGLBSA-N 242.279 -0.795 50 20 BBGD C[C@@H](O)CN(C)NC(=O)[C@H]1CCOC1 822557209 KELRYPOYBFUBCE-SFYZADRCSA-N 202.254 -0.633 50 20 BBGD CCN(CCO)NC(=O)[C@@H]1CCN(C)C(=O)C1 823841665 JJPIOJVEGMLEHM-SECBINFHSA-N 243.307 -0.800 50 20 BBGD CCCNC(=O)NNC(=O)[C@H](COC)OC 823952186 WQKANBZXJCBAJH-ZETCQYMHSA-N 233.268 -0.612 50 20 BBGD CNC(=O)C1(C(=O)NN(C)[C@H](C)CO)CCC1 823959212 DJOCGBXFYXIWTI-MRVPVSSYSA-N 243.307 -0.754 50 20 BBGD C=CCn1cc(C(=O)NNC(=O)C(C)C)nn1 843756193 UJRPOVUMEJSNFJ-UHFFFAOYSA-N 237.263 -0.119 50 20 BBGD CNC(=S)N(C)NC(=O)[C@@H](OC)C1CC1 854920499 QDVUJPKEOFIKQB-ZETCQYMHSA-N 231.321 -0.121 50 20 BBGD O=C(CO)NNC(=O)[C@@H]1CCN1C1CCCC1 862468516 KAGCQMASKFLFDB-VIFPVBQESA-N 241.291 -0.857 50 20 BBGD O=C(CCO)NNC(=O)Nc1cccnn1 1320566773 ISKAHSBJDXHCRK-UHFFFAOYSA-N 225.208 -0.988 50 20 BBGD Cn1ncc(C=NNC(=O)c2cnccn2)c1N 1326234699 PTYBZUCCDFUINR-UHFFFAOYSA-N 245.246 -0.444 50 20 BBGD C[C@@H]1CC(=NNC(=O)C(N)=O)CC[C@@H]1C(=O)O 1327798120 QBKXPMSPKIWTFS-VDTYLAMSSA-N 241.247 -0.535 50 20 BBGD CO[C@@H](C)C(=O)N1CC[C@H](B(O)O)C1 1329291687 GJFSKVNKRQSDIP-BQBZGAKWSA-N 201.031 -0.903 50 20 BBGD CCS(=O)(=O)CC(=O)NNc1ccncn1 1331423851 BUIVPNRFTCQWTJ-UHFFFAOYSA-N 244.276 -0.646 50 20 BBGD C[C@H](CC(=O)O)CC(=O)NNC(=O)C(C)(C)O 1604106954 SFRFQEHEFUZNAD-LURJTMIESA-N 246.263 -0.594 50 20 BBGD COC(=O)[C@@H]1C[C@@H]1C(=O)NNc1cnccn1 114882418 FXPRBAXDIAZDMN-NKWVEPMBSA-N 236.231 -0.271 50 20 BBGD Cc1nc(C(=O)NNC(=O)C2CC2)c[nH]1 264695333 MUMBHQWQWXNKFA-UHFFFAOYSA-N 208.221 -0.111 50 20 BBGD Nc1ccnc(CNC(=O)CCl)n1 306333508 FBKAXFQRYWWVGU-UHFFFAOYSA-N 200.629 -0.086 50 20 BBGD COc1c(B(O)O)cnc(F)c1Cl 498036368 DQIKHOJDVJZWCG-UHFFFAOYSA-N 205.381 -0.438 50 20 BBGD CO[C@H](C)CNC(=O)c1ccc(B(O)O)cc1 584978671 CWWLONVVUFQAEE-MRVPVSSYSA-N 237.064 -0.869 50 20 BBGD CC1(C)C[C@@H]1NCc1ccc(B(O)O)o1 585018963 XYCRXHFPMNJVFE-QMMMGPOBSA-N 209.054 -0.153 50 20 BBGD OCC1(CCNCc2ccc(B(O)O)cc2)CC1 585044684 QAKYCHRQPZIXLJ-UHFFFAOYSA-N 249.119 -0.381 50 20 BBGD CC[C@H]1COC[C@H]1NCc1cccc(B(O)O)c1 585047827 WEZHBZIMLRGHDK-WCQYABFASA-N 249.119 -0.119 50 20 BBGD O=C(CCOc1ccccc1F)NCB(O)O 585055980 HZINEYGXBJNDLY-UHFFFAOYSA-N 241.027 -0.277 50 20 BBGD COCC1(C(=O)N2CC[C@H](B(O)O)C2)CCC1 585067271 VTTRLZBNBUXGCQ-VIFPVBQESA-N 241.096 -0.122 50 20 BBGD O=C1CC[C@@H](C(=O)NNC(=O)C2CCCC2)N1 732271155 DLZOEBQIBWPJNV-QMMMGPOBSA-N 239.275 -0.397 50 20 BBGD Cc1cnn(CC(=O)NNC(=O)NC(C)C)c1 745136022 PWDZZGUDBLACCO-UHFFFAOYSA-N 239.279 -0.070 50 20 BBGD NC(=O)C1(C(=O)NNc2ncccc2F)CC1 804218270 SRWVALFRYACFFZ-UHFFFAOYSA-N 238.222 -0.071 50 20 BBGD CCNC(=O)NNC(=O)Cn1cc(Cl)cn1 813424502 PDCDRTVYTFQFOC-UHFFFAOYSA-N 245.670 -0.113 50 20 BBGD CC(C)(O)CN1CCC(=NNC(N)=O)CC1 814212783 YCNLLLSFXFIIIW-UHFFFAOYSA-N 228.296 -0.123 50 20 BBGD COCCCOCC(=O)NNC(=O)CC1CC1 819141453 YJYNYXIUHKUTGS-UHFFFAOYSA-N 244.291 -0.013 50 20 BBGD COC(OC)C(=O)NNC(=O)CC1CC1 823203459 VCSHQXOZERGINS-UHFFFAOYSA-N 216.237 -0.447 50 20 BBGD CCOCCOCCCC(=O)NNC(=O)NC 823424449 CMOBYLFAVZPTSF-UHFFFAOYSA-N 247.295 -0.220 50 20 BBGD O=C(NNC(=O)[C@H](O)C1CC1)NC1CC1 823767317 FNQUSYDUGFUMDG-SSDOTTSWSA-N 213.237 -0.750 50 20 BBGD CCN(CCO)NC(=O)/C=C/COC 823828715 HFXOUUDLZHBTEM-SNAWJCMRSA-N 202.254 -0.466 50 20 BBGD CCNC(=O)N(C)NC(=O)[C@@H]1CCN[C@H]1C 831944554 BXPBMBGHSVOWSB-JGVFFNPUSA-N 228.296 -0.323 50 20 BBGD CNC(=S)N(C)NC(=O)C1(O)CCCC1 854924863 VLQWVSVJEGCNBP-UHFFFAOYSA-N 231.321 -0.241 50 20 BBGD CN(C)C1(C(=O)NNC(=O)c2cc[nH]n2)CC1 855354660 HHVDQGVTAJVIDH-UHFFFAOYSA-N 237.263 -0.735 50 20 BBGD CC(C)[C@H](NC=O)C(=O)NNC(=O)NC1CC1 858778507 MADINGULBPRKAT-QMMMGPOBSA-N 242.279 -0.750 50 20 BBGD CC[C@H](O)[C@H](C)C(=O)NNC(=O)C1CC1 899938177 WBAUGASSGFQPSV-XPUUQOCRSA-N 214.265 -0.049 50 20 BBGD Cn1cc(C(=O)NNC(=O)NCCCF)cn1 1319230495 LLPIMVLVTYAQNX-UHFFFAOYSA-N 243.242 -0.276 50 20 BBGD CS(=O)(=O)N1CC(CNC(=O)CCl)C1 1327533309 QFOONFLUXAQKOD-UHFFFAOYSA-N 240.712 -0.767 50 20 BBGD CC(=O)NNC(=O)[C@H](C)[C@H]1CCC(=O)N1 1329711220 VXTUYVLJPSHPRE-IYSWYEEDSA-N 213.237 -0.932 50 20 BBGD COCCNC(=O)NNC(=O)C1CCOCC1 1331715616 IMHCQJXJHLMDQR-UHFFFAOYSA-N 245.279 -0.610 50 20 BBGD Cc1cnc(C=NNC(=O)CS(C)(=O)=O)o1 1335346890 FOJASTBQHXZNPE-UHFFFAOYSA-N 245.260 -0.522 50 20 BBGD N#Cc1ccc(C(=O)NNc2nc[nH]n2)nc1 1343973724 ZDRKTFCRNBDIRY-UHFFFAOYSA-N 229.203 -0.172 50 20 BBGD NC[C@@H]1C[C@@H]1C(=O)NNc1ncnc2[nH]cnc12 1580323904 PWWJAEBTEJFXEN-WDSKDSINSA-N 247.262 -0.609 50 20 BBGD C[C@@H](C(=O)O)C(=O)NNC(=O)c1ccc[nH]1 1588573953 PAMXRTYQWAUIBY-RXMQYKEDSA-N 225.204 -0.504 50 20 BBGD C[C@@H](CC(=O)O)CC(=O)NNC(=O)N(C)C 1592391631 OHXDFOBWPZWJDG-ZCFIWIBFSA-N 231.252 -0.210 50 20 BBGD CCN(CCO)NC(=O)C1(C(=O)O)CC1 1596340720 LWYCRMUKJIUKTB-UHFFFAOYSA-N 216.237 -0.803 50 20 BBGD C[C@H]1C[C@H]1C(=O)NNC(=O)c1cnn(C)c1 170969131 KXAYNHQICYFLLL-POYBYMJQSA-N 222.248 -0.163 50 20 BBGD CN(NC(=O)C[C@H]1CCCO1)C(N)=O 182654047 LHISFNRLBOJZCG-ZCFIWIBFSA-N 201.226 -0.403 50 20 BBGD O=C(CO)NNC(=O)CCc1ccoc1 182742350 WDPOMVLOVHSYGM-UHFFFAOYSA-N 212.205 -0.648 50 20 BBGD C[C@H]1C[C@H]1NC(=O)c1ccc(B(O)O)c(F)c1 584940763 ZPBGWFJJYQVVOI-QUBYGPBYSA-N 237.039 -0.356 50 20 BBGD O=C(Cc1ccccc1F)NCB(O)O 585057332 RIQKNGDNXRHHLX-UHFFFAOYSA-N 211.001 -0.504 50 20 BBGD CC(=O)NNC(=S)NCC1CCN(C)CC1 760466694 SHLKRBYOLVCRKB-UHFFFAOYSA-N 244.364 -0.157 50 20 BBGD CC(=NNC(=O)C(=O)NC(C)C)c1ncc[nH]1 790152928 BQBQQDMJGNOGHE-UHFFFAOYSA-N 237.263 -0.226 50 20 BBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1cnc[nH]1 843975215 QNRQNCWQRFWPKE-BQBZGAKWSA-N 238.247 -0.404 50 20 BBGD Cc1cc(=NNC(=O)C[C@@H]2CC(=O)N2)cc[nH]1 862515108 JJDZHRGCBQCWTL-VIFPVBQESA-N 234.259 -0.466 50 20 BBGD C[C@H](NCc1ccc(B(O)O)cc1)C(C)(C)O 863889262 WUPGBBCCGMNSPP-VIFPVBQESA-N 237.108 -0.385 50 20 BBGD COC/C(C)=C\C(=O)NN(C)C[C@H](C)O 910140499 IMMCXOXHOUDFGV-RDOCRHDPSA-N 216.281 -0.077 50 20 BBGD COC(=O)C[C@H](C)CC(=O)NN(C)C[C@@H](C)O 910148056 QKSINAJYHJUBJV-RKDXNWHRSA-N 246.307 -0.081 50 20 BBGD CNC(=O)C1(C(=O)NNC(=O)C2CC2)CC1 1322403379 BZQYRTWAZKEKEP-UHFFFAOYSA-N 225.248 -0.930 50 20 BBGD CNC(=O)NNC(=O)[C@@H]1CCC(=O)[C@@H](C)C1 1323198612 ZTDQQHIKDUATHU-NKWVEPMBSA-N 227.264 -0.048 50 20 BBGD Cc1c(CC(=O)NN(C)C(N)=O)cnn1C 1326316127 XWYGYVKMVGOMOG-UHFFFAOYSA-N 225.252 -0.687 50 20 BBGD CS(=O)(=O)C1(C(=O)NN)CCCC1 1329513965 OSPHYFIQEWYKKC-UHFFFAOYSA-N 206.267 -0.666 50 20 BBGD CCOCC(=O)NNC(=O)NCc1ccon1 1330728631 CQOSMCGBJWYKEQ-UHFFFAOYSA-N 242.235 -0.459 50 20 BBGD C[C@@H](CO)N(C)NC(=O)[C@@H](C)C(=O)O 1588574113 XMHUIEDLVOPARM-NTSWFWBYSA-N 204.226 -0.949 50 20 BBGD CC(C)C(=O)NNC(=O)CNC(C)(C)C(=O)O 1602959515 WTAVTZSJOLJOOD-UHFFFAOYSA-N 245.279 -0.757 50 20 BBGD CCNC(=O)NN=Cc1cc(C(=O)O)nn1C 1776039412 TWLQTUFUDICVQP-UHFFFAOYSA-N 239.235 -0.229 50 20 BBGD CCNC(=O)NN=C1CCN(C(N)=O)CC1 64913822 GSRGTUWBKJTIJA-UHFFFAOYSA-N 227.268 -0.164 50 20 BBGD C[C@H](CS(C)(=O)=O)NC(=O)CCl 81902776 FBNVCOPCYYZENL-RXMQYKEDSA-N 213.686 -0.226 50 20 BBGD CO[C@@H](C)C(=O)NNC(=O)c1ccc[nH]1 119853531 XKGYFZHGWFOLBC-LURJTMIESA-N 211.221 -0.189 50 20 BBGD Cc1ccc(C)c(CC(=O)NNC(=O)CO)c1 180963177 COITVXYFUXIAGT-UHFFFAOYSA-N 236.271 -0.014 50 20 BBGD C[C@@H](CCCO)CNCc1ccc(B(O)O)o1 585042668 BFWNRWQPKDGFMU-VIFPVBQESA-N 241.096 -0.542 50 20 BBGD C[C@@H](C(=O)NCB(O)O)c1cccs1 585059955 HFGSVNWVDSOANT-ZCFIWIBFSA-N 213.067 -0.020 50 20 BBGD O=C(Cc1c(F)cccc1F)NCB(O)O 585060563 GQWGBNHOCWJISZ-UHFFFAOYSA-N 228.991 -0.365 50 20 BBGD COCCS(=O)(=O)NNC(=O)c1ccc[nH]1 737757093 SQRHJEASCPILGD-UHFFFAOYSA-N 247.276 -0.775 50 20 BBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@H](C)OC 772039696 QLCXFIUFZSFENP-BQBZGAKWSA-N 246.263 -0.490 50 20 BBGD Cn1cnc(C(=O)NNC(=O)c2ccccn2)n1 809937367 OUKNHLXYGDKYMY-UHFFFAOYSA-N 246.230 -0.715 50 20 BBGD CNC(=O)NNC(=O)C[C@@H](OC)C(F)(F)F 845275408 MAWAIEPNRLTXPM-SCSAIBSYSA-N 243.185 -0.086 50 20 BBGD CC[C@H](NC(C)=O)C(=O)NNc1cnccn1 867493890 RDRDHJWSOSWEPM-QMMMGPOBSA-N 237.263 -0.166 50 20 BBGD C[C@@H]1COC[C@H]1NCc1ccc(B(O)O)cc1 896734444 WAFLARFYNCGEMT-BXKDBHETSA-N 235.092 -0.509 50 20 BBGD CN(NC(=O)[C@@H]1CCCC(=O)N1C)C(N)=O 907185296 GUZCNPPDEOXXTN-LURJTMIESA-N 228.252 -0.961 50 20 BBGD O=C(NNC(=O)[C@@H]1CCC=CO1)c1cccnn1 921314852 JQNWOBJDTLZDAI-VIFPVBQESA-N 248.242 -0.070 50 20 BBGD C#CCNC(=S)NNC(=O)c1cccnc1 1116388679 XGASIGSZVXHTFF-UHFFFAOYSA-N 234.284 -0.176 50 20 BBGD CN(NC(=O)C(=O)C(C)(C)C)C(N)=O 1116503050 MIQCHMKIELESDT-UHFFFAOYSA-N 201.226 -0.357 50 20 BBGD CCNC(=O)NNC(=O)c1cncn1C 1117666198 SITYRUNNFYFUQI-UHFFFAOYSA-N 211.225 -0.616 50 20 BBGD C[C@H](O)CN(C)NC(=O)[C@@H](C)n1cncn1 1119581856 NQJFDJHSEVWBJT-JGVFFNPUSA-N 227.268 -0.817 50 20 BBGD O=C(CO)NNC(=O)NC1(C(F)(F)F)CC1 1119864431 OGAOJDFMMAMTLJ-UHFFFAOYSA-N 241.169 -0.596 50 20 BBGD Cn1cc(C=NNC(=O)C(=O)NC2CC2)cn1 1317713363 RDJCDIRBNXNNEI-UHFFFAOYSA-N 235.247 -0.851 50 20 BBGD Cn1cc(C(=O)NNC(=O)c2ccn(C)n2)cn1 1322958705 ZLDGPLCTWNESAC-UHFFFAOYSA-N 248.246 -0.772 50 20 BBGD CNC(=O)NNC(=O)c1csc2cncn12 1323404989 JPKWJAMVEQKLHX-UHFFFAOYSA-N 239.260 -0.030 50 20 BBGD CNC(=O)NNC(=O)C[C@@H]1CCCC(=O)N1 1324037234 QDOBHVARXZNZSG-LURJTMIESA-N 228.252 -0.995 50 20 BBGD CC(=O)NNC(=O)c1coc(C(N)=O)c1 1324629012 AGDQIEBRWKGLCF-UHFFFAOYSA-N 211.177 -0.841 50 20 BBGD CNC(=O)NNC(=O)CC1OCCCO1 1324974678 CFILPXHHQZYTIU-UHFFFAOYSA-N 217.225 -0.900 50 20 BBGD CCc1nnsc1C(=O)NN(C)C(N)=O 1325006391 NOSQFIQHBOCFTN-UHFFFAOYSA-N 229.265 -0.244 50 20 BBGD O=CN1CCC[C@H]1C(=O)NNc1ccncn1 1331205862 SIQJCPIQILUPCN-QMMMGPOBSA-N 235.247 -0.460 50 20 BBGD CCCNC(=O)NNC(=O)c1ncccn1 1331910298 FQXJANRWSHMRQF-UHFFFAOYSA-N 223.236 -0.169 50 20 BBGD CC(C)[C@H](O)C(=O)NNC(=O)[C@@H]1CCCCO1 1347903889 NEVIQBKCIDWNDW-IUCAKERBSA-N 244.291 -0.280 50 20 BBGD CNC(=O)NNC(=O)[C@@H]1CCC[C@@H](N)C1 1578557653 MCZYWUACPQFPNX-RNFRBKRXSA-N 214.269 -0.536 50 20 BBGD CC(=O)NNC(=O)c1ccnc(C(=O)O)c1 1589150442 RCMZRRGPIVOOFQ-UHFFFAOYSA-N 223.188 -0.439 50 20 BBGD C[C@]1(C(=O)NNc2ncccn2)CCNC1 151495538 CRFSFJJGERSEEK-JTQLQIEISA-N 221.264 -0.081 50 20 BBGD CC[C@H](C(=O)NNC(=O)OC)N(C)C 158795892 DCLWWOKQWKKVML-ZCFIWIBFSA-N 203.242 -0.286 50 20 BBGD CC(C)N(C)C(=O)c1cccc(B(O)O)c1 584927623 JWRDXUBQVKAGSF-UHFFFAOYSA-N 221.065 -0.153 50 20 BBGD CC[C@@H](O)[C@@H](CC)NCc1ccc(B(O)O)o1 585044778 UCLMULNHYLJQKO-NXEZZACHSA-N 241.096 -0.402 50 20 BBGD C#CC[C@H](CO)NS(=O)(=O)CCl 717761843 RFQDITYQPIBPFV-ZCFIWIBFSA-N 211.670 -0.514 50 20 BBGD COCCCC(=O)NNC(=O)Cc1cc[nH]n1 730090502 FANWTBXYDSELAA-UHFFFAOYSA-N 240.263 -0.474 50 20 BBGD Cc1ccncc1C(=O)NNC(=O)CN(C)C 743332755 GLFKZDKAKVSGIA-UHFFFAOYSA-N 236.275 -0.287 50 20 BBGD CN1CCO[C@H](C(=O)NNC(=O)C2CCC2)C1 746248539 UWDRSJXESKEVSY-VIFPVBQESA-N 241.291 -0.736 50 20 BBGD O=C(Cc1cc[nH]n1)NNC(=O)c1cn[nH]c1 755289235 PDBYAGWDFJZZFA-UHFFFAOYSA-N 234.219 -0.864 50 20 BBGD NC(=O)NNC(=S)NC[C@@H]1CCCCO1 758172524 NTWVLKYBIMRBLP-LURJTMIESA-N 232.309 -0.397 50 20 BBGD COC(=O)COCC(=O)NNC(=O)C1CCC1 806836872 WVLDPVHVXFLAQS-UHFFFAOYSA-N 244.247 -0.877 50 20 BBGD C=C[C@H](O)C(=O)NNc1nccnc1OC 816970528 CCQQMXPVGQSDBB-LURJTMIESA-N 224.220 -0.525 50 20 BBGD CC[C@H](NC(C)=O)C(=O)NN(CC)CCO 823901521 AQWXKDBDQJSMTM-VIFPVBQESA-N 231.296 -0.754 50 20 BBGD CC(C)[C@@H](O)C(=O)NN(C)[C@@H](C)CO 823923760 UZCYCKHAJHKDBF-JGVFFNPUSA-N 204.270 -0.653 50 20 BBGD CC(C)(C)C(=O)NNC(=O)CN1CCOC1=O 874060274 DTSJDPYLXALZQA-UHFFFAOYSA-N 243.263 -0.368 50 20 BBGD C=C[C@](C)(O)C(=O)NNC(=O)C1CCOCC1 883070820 DVYPUHWLZTWDJF-NSHDSACASA-N 242.275 -0.503 50 20 BBGD Cc1nonc1CC(=O)NN(C)C[C@@H](C)O 910146922 NEXASSRVUVCTAH-ZCFIWIBFSA-N 228.252 -0.736 50 20 BBGD COC(=O)C[C@H](C)CC(=O)NN(C)C[C@H](C)O 910148053 QKSINAJYHJUBJV-BDAKNGLRSA-N 246.307 -0.081 50 20 BBGD C[C@@H](O)CN(C)NC(=O)[C@H]1CCCO1 910160965 RBGMPVVMIZFPCR-HTQZYQBOSA-N 202.254 -0.491 50 20 BBGD CC(C)C(=O)NNC(=O)[C@@H](C)n1cncn1 915261800 YUDNNONOUXMFHZ-SSDOTTSWSA-N 225.252 -0.358 50 20 BBGD CC(=O)NNC(=O)[C@H]1CCO[C@@H](C)C1 1117738339 GGHGMDUHTVAZER-XPUUQOCRSA-N 200.238 -0.031 50 20 BBGD CC(=NNC(=O)CCO)c1cnnn1C 1117742422 QMNKFWZKYHGHFS-UHFFFAOYSA-N 211.225 -0.962 50 20 BBGD C[C@@H](C(=O)NNc1ccn(C)n1)n1cncn1 1256185047 RVFQOEZVOZNPNL-ZETCQYMHSA-N 235.251 -0.284 50 20 BBGD O=C(CCc1cnccn1)NNC(=O)NC1CC1 1321043127 OMXGLJCOECYGKD-UHFFFAOYSA-N 249.274 -0.098 50 20 BBGD Cc1cnc(C=NNC(=O)[C@@H]2CCC(=O)N2)o1 1335347015 JYJZLAGCSRPVIT-ZETCQYMHSA-N 236.231 -0.288 50 20 BBGD CCC[C@@H](OCC)C(=O)NNC(=O)NCCN 1577371584 BPFWFGQNDPSEFO-MRVPVSSYSA-N 246.311 -0.519 50 20 BBGD O=C(O)CCN1CCC(=NNC(=O)CO)CC1 1602009797 PAGLAMPAGFDRSM-UHFFFAOYSA-N 243.263 -0.979 50 20 BBGD C[C@H](NS(=O)(=O)CCl)c1nncn1C 82512773 UAZMKGMGFOUOEV-YFKPBYRVSA-N 238.700 -0.008 50 20 BBGD NC(=O)NNC(=O)c1cccc(-c2nnn[nH]2)c1 95143998 GFILGJDLAJNLCS-UHFFFAOYSA-N 247.218 -0.820 50 20 BBGD CSC1(C(=O)NNC(=O)CN(C)C)CC1 188141794 SMWMQZVJARGEBA-UHFFFAOYSA-N 231.321 -0.409 50 20 BBGD NNC(=O)CN1C(=O)[C@H]2CCCC[C@H]2C1=O 270219946 LXSDJIHQRZLPPU-KNVOCYPGSA-N 225.248 -0.849 50 20 BBGD CCO/C=C(\C#N)C(=O)N[C@@H]1CCN(C)C1=O 490909621 OLYRWVDZGSFYHA-FCZSHJHJSA-N 237.259 -0.223 50 20 BBGD C[C@@H](NC(=O)c1ccc(B(O)O)cc1)C1CC1 584996061 WLLAZNACNZISCO-MRVPVSSYSA-N 233.076 -0.105 50 20 BBGD CN1CCC(NCc2ccc(B(O)O)cc2)CC1 585014510 UJBPXCDWIOLNKC-UHFFFAOYSA-N 248.135 -0.450 50 20 BBGD CC[C@](C)(O)CNCc1ccccc1B(O)O 585014905 IEAHULQSWJZZTE-LBPRGKRZSA-N 237.108 -0.383 50 20 BBGD C[C@@H](CNCc1cccc(B(O)O)c1)N(C)C 585033113 XVMQISAEEKPGRY-JTQLQIEISA-N 236.124 -0.594 50 20 BBGD O=C(NNC(=O)[C@H]1C[C@@H]1C(=O)O)C1CC1 739453051 BCFDQXWRNMIBBH-WDSKDSINSA-N 212.205 -0.736 50 20 BBGD CCNC(=O)NNC(=O)Cc1cc(C)on1 746166689 DBBWVPBINJPDJO-UHFFFAOYSA-N 226.236 -0.124 50 20 BBGD CC(C)NC(=O)NNC(=O)[C@H]1CCN(C)C1=O 772526787 PBDGIACYQCZTHC-SSDOTTSWSA-N 242.279 -0.797 50 20 BBGD CN(NC(=O)C(C)(C)NS(C)(=O)=O)C1CC1 819648648 MSOGMWSPDOWSQW-UHFFFAOYSA-N 249.336 -0.560 50 20 BBGD CCC[C@H](O)C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 823476525 ZVDNNTHXDNQPKW-HLTSFMKQSA-N 244.291 -0.280 50 20 BBGD Cc1ccn(CC(=O)NN(C)[C@@H](C)CO)n1 823918583 YOWLNVNMKHYRCV-VIFPVBQESA-N 226.280 -0.465 50 20 BBGD CSC1(C(=O)NNC(=O)c2ncon2)CC1 832825806 ICLZTZOYYMNYNL-UHFFFAOYSA-N 242.260 -0.274 50 20 BBGD CC[C@@H](NC)C(=O)NNc1ncccn1 852787863 QAYGNZYOMGTYAY-SSDOTTSWSA-N 209.253 -0.082 50 20 BBGD CNC(=S)N(C)NC(=O)Cc1cncn1C 854922783 QNGTUBILARZIKT-UHFFFAOYSA-N 241.320 -0.570 50 20 BBGD CNC(=S)N(C)NC(=O)[C@H]1CCCN1C 854923619 BVCHAIIJSGGBNT-SSDOTTSWSA-N 230.337 -0.452 50 20 BBGD CNC(=S)N(C)NC(=O)c1ccnn1C 854925204 FXJGCCQIKCANDB-UHFFFAOYSA-N 227.293 -0.499 50 20 BBGD CCCNC(=O)NNC(=O)[C@@]1(C)CCNC1=O 874214141 RRXHRVTUDCLOGQ-JTQLQIEISA-N 242.279 -0.747 50 20 BBGD CC(=O)N[C@@H](C)C(=O)NNC(=O)C1CCCC1 914844855 CPUADZAMTWAXAZ-ZETCQYMHSA-N 241.291 -0.151 50 20 BBGD Cc1cc(C(=O)NNC(=S)NC2CC2)n[nH]1 917414970 PXMYMSBWPHBPKS-UHFFFAOYSA-N 239.304 -0.011 50 20 BBGD CN(NC(=O)CC[C@@]1(C)CCC(=O)N1)C(N)=O 1116554114 GPFLEBDBEYISGR-SNVBAGLBSA-N 242.279 -0.523 50 20 BBGD O=C(NNC(=O)[C@H]1C[C@H]1F)c1cccnn1 1263856575 WFPUJMMAGUARDC-NTSWFWBYSA-N 224.195 -0.404 50 20 BBGD COC(=O)NNC(=O)c1ccc(C(N)=O)o1 1320256721 ASMZRFNWKFBLBT-UHFFFAOYSA-N 227.176 -0.621 50 20 BBGD COCc1cc(C=NNC(=O)C(=O)OC)no1 1340940262 ZJUKIOMILQNNRJ-UHFFFAOYSA-N 241.203 -0.556 50 20 BBGD Cn1ncc(C=NNC(=O)C(N)=O)c1Cl 1343872498 QPIQWWNGXQSKSU-UHFFFAOYSA-N 229.627 -0.991 50 20 BBGD CCCNC(=O)NNC(=O)c1ncc[nH]1 1347382266 YOODAKVGOJCMOO-UHFFFAOYSA-N 211.225 -0.236 50 20 BBGD C[C@@H](O)CN(C)NC(=O)c1cccc(O)n1 1350777927 FGPGHXUELAXXPJ-SSDOTTSWSA-N 225.248 -0.255 50 20 BBGD C[C@@H](CC(=O)O)NC(=O)NNc1ccncn1 1589001245 IKDOSQKJKSAPMD-LURJTMIESA-N 239.235 -0.034 50 20 BBGD CN(NC(=O)[C@@]1(C(=O)O)CCCO1)C1CC1 1593766630 VRCNULDBJBWFLG-SNVBAGLBSA-N 228.248 -0.254 50 20 BBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)CC(=O)O 1594646169 WTKKIXIBPTYZCQ-NTSWFWBYSA-N 230.220 -0.967 50 20 BBGD CN(C)CC(=O)NNc1ncc(F)cn1 122513267 VFDFBVAUCMIJGF-UHFFFAOYSA-N 213.216 -0.380 50 20 BBGD NC(=O)NN=C1CC(=O)N2CCCC[C@@H]12 379791593 GJYRNUKJMYHDHA-ZETCQYMHSA-N 210.237 -0.205 50 20 BBGD CCOC(=O)NNS(=O)(=O)C[C@@H](C)OC 497011790 AOBJAJFBUOLHFK-ZCFIWIBFSA-N 240.281 -0.398 50 20 BBGD CC1CCN(C(=O)NCB(O)O)CC1 585059351 KCWFHTNJJUKEHO-UHFFFAOYSA-N 200.047 -0.560 50 20 BBGD CCOC(=O)NNC(=O)CN1CCN(C)CC1 731865824 STOQQYAFTPPURI-UHFFFAOYSA-N 244.295 -0.989 50 20 BBGD CCCNC(=O)NNS(=O)(=O)CCOC 737755619 DCJLRFQBUOEVDW-UHFFFAOYSA-N 239.297 -0.824 50 20 BBGD CC(C)NC(=O)C(=O)NNC1=N[C@H]2C=C[C@H]1C2 739413265 NOLQDUJJVPIUEJ-YUMQZZPRSA-N 236.275 -0.511 50 20 BBGD C[C@@H](C#N)C(=O)NNc1ncnc2[nH]cnc12 743469758 KVOFWCOGYWKAID-YFKPBYRVSA-N 231.219 -0.044 50 20 BBGD CC(=O)NNC(=O)c1cnc2c(c1)nnn2C 757695064 CJUQOMSGBNDWLC-UHFFFAOYSA-N 234.219 -0.856 50 20 BBGD CCNC(=O)N(C)N=C1CCN(C)C1=O 761833315 ABDXYLXFZWYCTA-UHFFFAOYSA-N 212.253 -0.134 50 20 BBGD CC(C)NC(=O)NNC(=O)[C@]1(O)CCSC1 765724660 QSWVERJZGFFZSK-VIFPVBQESA-N 247.320 -0.407 50 20 BBGD CN(NC(=O)C[C@](C)(O)C1CC1)C(N)=O 778417307 RFOFTKGRZWUQQI-VIFPVBQESA-N 215.253 -0.421 50 20 BBGD O=C(N=c1cc[nH]cc1)NNC(=O)C1=COCC1 802026515 FJSMZEJGYPWGLB-UHFFFAOYSA-N 248.242 -0.040 50 20 BBGD C[C@@H](O)CN(C)NC(=O)CCN1CCCC1=O 821217582 LNLMYHWTDOQIIF-SECBINFHSA-N 243.307 -0.657 50 20 BBGD CCC[C@](C)(O)C(=O)NN(C)[C@@H](C)CO 823945942 ATATYYIUGYAWDJ-WPRPVWTQSA-N 218.297 -0.119 50 20 BBGD O=C(NNc1ncccn1)[C@@H]1C[C@@]12CCNC2 826726042 BQKUSBMUXYNMHE-GZMMTYOYSA-N 233.275 -0.081 50 20 BBGD COCCN(C)NC(=O)c1ncn(C)n1 848378528 VDXQCEDGKKQEBJ-UHFFFAOYSA-N 213.241 -0.962 50 20 BBGD CC[C@@](C)(OC)C(=O)NNC(=O)c1cn[nH]c1 862470693 UXNAOTGTOLPISX-SNVBAGLBSA-N 240.263 -0.014 50 20 BBGD CC/C(C)=C/C(=O)NNC(=O)CS(C)(=O)=O 863465733 JTMHNRGZDIQNIN-FNORWQNLSA-N 248.304 -0.465 50 20 BBGD CCCCNC(=O)NNC(=O)CC(=O)OC 906416597 PKEHXSNSXWSNKK-UHFFFAOYSA-N 231.252 -0.320 50 20 BBGD CSCC[C@H](O)C(=O)NN(C)C[C@@H](C)O 910155612 OAXPNGPCJBUKGJ-SFYZADRCSA-N 236.337 -0.556 50 20 BBGD C[C@H](O)CN(C)NC(=O)Cc1cccnc1 910160205 HIQFJQDYGGEMTQ-VIFPVBQESA-N 223.276 -0.032 50 20 BBGD CNC(=O)NNC(=O)COCC(F)(F)F 919879619 VJXXNXZJIKIYPI-UHFFFAOYSA-N 229.158 -0.475 50 20 BBGD CC(=NNC(=O)C(N)=O)c1ccnc(C)n1 1321905271 DAHOWARZDKMZBZ-UHFFFAOYSA-N 221.220 -0.889 50 20 BBGD CN(NC(=O)[C@@H]1CCc2nncn2C1)C1CC1 1326170169 NDWIRCZFGRBWAX-MRVPVSSYSA-N 235.291 -0.034 50 20 BBGD CN(NC(=O)CN1CCC(=O)NC1=O)C1CC1 1326170244 PQAYWGCUZBNZSG-UHFFFAOYSA-N 240.263 -0.946 50 20 BBGD COCC#CC(=O)NNc1nccc(OC)n1 1327755271 XQAHJVWBPDCWGQ-UHFFFAOYSA-N 236.231 -0.422 50 20 BBGD CCO[C@@H]1CC(=NNC(=O)C(=O)OC)[C@H]1OC 1328709085 QYFLDFIACLZMQW-HTQZYQBOSA-N 244.247 -0.545 50 20 BBGD COC(=O)C(=O)NNC(=O)N[C@@H]1C=CCC1 1330142596 NZRCAQDAMTXKCW-ZCFIWIBFSA-N 227.220 -0.792 50 20 BBGD CC(C)NC(=O)NNC(=O)[C@@H](C(=O)O)C1CC1 1588925296 ICPIIIVQNKGQTC-ZETCQYMHSA-N 243.263 -0.164 50 20 BBGD O=C(O)CNC(=O)NN=Cc1cscn1 1610784267 ZCFVLOUKZVZBPB-UHFFFAOYSA-N 228.233 -0.139 50 20 BBGD CN1CCO[C@H](C(=O)NNc2ccncc2)C1 180475170 IJXABOIXRBWOKB-JTQLQIEISA-N 236.275 -0.145 50 20 BBGD CCc1ccc(O)c(C(=O)NNC(=O)CO)c1 182768432 VOWZJRUMVAKGFT-UHFFFAOYSA-N 238.243 -0.292 50 20 BBGD Cc1cc(C)nc(NNC(=O)Cn2cnnn2)n1 299265857 RKFADYGYPILSON-UHFFFAOYSA-N 248.250 -0.777 50 20 BBGD CCN1CCO[C@H](C(=O)NNC(=O)OC)C1 376796826 CIXQZOGHQKFYPI-ZETCQYMHSA-N 231.252 -0.906 50 20 BBGD C[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)C1 584961198 RDPDTWHNECXHDA-VIFPVBQESA-N 233.076 -0.152 50 20 BBGD CC[C@H](C)[C@@H](CO)NCc1ccc(B(O)O)o1 585025372 RXNKGUZLCZXAKE-WCBMZHEXSA-N 241.096 -0.544 50 20 BBGD C[C@H](O)CCNCc1cccc(B(O)O)c1 585050145 SMIHHOMPMMADLM-VIFPVBQESA-N 223.081 -0.773 50 20 BBGD O=C([C@H]1CCCCO1)N1CC[C@@H](B(O)O)C1 585064365 FLEYOCFSUCIHCV-RKDXNWHRSA-N 227.069 -0.369 50 20 BBGD C[C@@H]1C[C@H]1C(=O)NNC(=O)[C@H]1CCOC1 730592338 GPAKUFFTSVHMDY-GJMOJQLCSA-N 212.249 -0.174 50 20 BBGD CC(C)C(=O)NNS(=O)(=O)CCC(=O)O 736347281 RFVYNAQLBOGJHG-UHFFFAOYSA-N 238.265 -0.932 50 20 BBGD O=C(NNC(=O)[C@H]1C[C@@H]1C(=O)O)c1ccoc1 739454050 OGQWUQWVLZHSEX-BQBZGAKWSA-N 238.199 -0.239 50 20 BBGD CCC(=O)NNC(=O)[C@H](C)N[C@H](CO)C1CC1 771805505 HJNPRDDMWVROTN-IONNQARKSA-N 243.307 -0.707 50 20 BBGD N#CSCCCNC(=O)[C@H]1CCC(=O)N1 773586081 RBFXBUDZOHYZJY-SSDOTTSWSA-N 227.289 -0.014 50 20 BBGD CCNC(=O)NNC(=O)[C@@H]1[C@H]2CCCO[C@H]21 780907035 FJDCJSQLQQCANH-BWZBUEFSSA-N 227.264 -0.238 50 20 BBGD CC(C)OCCC(=O)NNC(=O)C(C)(C)O 787950264 SUHIFWITHJKJJN-UHFFFAOYSA-N 232.280 -0.280 50 20 BBGD O=C(CO)NN=C1CC(=O)N2CCCC[C@@H]12 799485408 OKTQHYIZJOUTKK-QMMMGPOBSA-N 225.248 -0.764 50 20 BBGD COC(=O)N(C)NC(=O)C(C)(C)C(N)=O 804123750 TZWOVVXRHXPWHH-UHFFFAOYSA-N 217.225 -0.773 50 20 BBGD CCN(CCO)NC(=O)C1=CCOCC1 823874715 XXISSOKSEKUQPF-UHFFFAOYSA-N 214.265 -0.322 50 20 BBGD Cc1nocc1C(=O)NN(C)[C@H](C)CO 823912796 LNBOJIROBHHLRT-ZCFIWIBFSA-N 213.237 -0.060 50 20 BBGD C[C@@H](CO)N(C)NC(=O)[C@@H](O)c1ccccn1 823927871 HZAIWWCJDDWWTC-WPRPVWTQSA-N 239.275 -0.541 50 20 BBGD CCc1n[nH]cc1C(=O)NN(C)[C@H](C)CO 823971467 URNYREVTBPJALL-SSDOTTSWSA-N 226.280 -0.071 50 20 BBGD CC(=NNC(=O)NCC(=O)O)[C@H]1CCOC1 833385006 QVFQNMYVWWOWNF-ZETCQYMHSA-N 229.236 -0.217 50 20 BBGD CNC(=O)NNC(=O)C1CC(OC)C1 858748722 WSXLTLYQMCUJDP-UHFFFAOYSA-N 201.226 -0.628 50 20 BBGD O=C(CC1CCC1)NNC(=O)[C@H]1CCC(=O)N1 862455972 KYRXSOWVKMTWDU-MRVPVSSYSA-N 239.275 -0.397 50 20 BBGD O=C1CC[C@@H](C(=O)NNC(=O)C2=CCCC2)N1 862457424 JCGQAGRKWDQHKZ-QMMMGPOBSA-N 237.259 -0.477 50 20 BBGD COC(=O)CCC(=O)NNC(=O)c1cn[nH]c1 862473741 ZWLDYHORMKHVRW-UHFFFAOYSA-N 240.219 -0.876 50 20 BBGD COCCOCC(=O)NNC(=O)[C@H]1C[C@@H]1C 869907068 AFLVPRIJAHQYSP-YUMQZZPRSA-N 230.264 -0.547 50 20 BBGD CS(=O)(=O)CC(=O)NN=C1CC[C@@H]2C[C@H]12 872393996 LLONONAACPOIOI-RQJHMYQMSA-N 230.289 -0.067 50 20 BBGD Cc1nocc1CNCc1ccccc1B(O)O 877564055 WVIZPLZSZLWVOE-UHFFFAOYSA-N 246.075 -0.047 50 20 BBGD CCC[C@H](O)C(=O)NNC(=O)NCCCOC 930733295 MVUCDFHEDUTMMY-QMMMGPOBSA-N 247.295 -0.486 50 20 BBGD O=C(C[C@@H]1CC(=O)N1)NNc1ncc(F)cn1 1330771529 PARQIFKWKGISPX-LURJTMIESA-N 239.210 -0.663 50 20 BBGD CCOC(=O)NNC(=O)[C@@]1(C)CNCCO1 1578006591 ITXPJTNWXQYPSF-SECBINFHSA-N 231.252 -0.858 50 20 BBGD CC(C[C@@H]1CCC(=O)N1)=NNC(=O)C(=O)O 1592459158 JRBPPNBGZYWKOW-LURJTMIESA-N 227.220 -0.768 50 20 BBGD Cn1cc(C(=O)NNC(=O)c2cccn2C)cn1 102365725 PFPHDHFJLBTOIS-UHFFFAOYSA-N 247.258 -0.167 50 20 BBGD CO[C@H](C)C(=O)NNC(=O)c1ccc[nH]1 119853649 XKGYFZHGWFOLBC-ZCFIWIBFSA-N 211.221 -0.189 50 20 BBGD CC(C)(O)C(=O)NNC(=O)c1ccco1 276311843 VCZFHTNLYTVAOY-UHFFFAOYSA-N 212.205 -0.189 50 20 BBGD CCOC(=O)CC(=O)NNC(=O)N(C)C 299691095 WALVFDMMISQLEZ-UHFFFAOYSA-N 217.225 -0.758 50 20 BBGD C[C@@H](N)C(=O)NNc1nncc(N)c1Cl 381036865 CVMRRCXBLNSMHE-GSVOUGTGSA-N 230.659 -0.498 50 20 BBGD CO[C@H](CNCc1ccccc1B(O)O)C1CC1 585043527 QNTACIGPDWFGFM-CYBMUJFWSA-N 249.119 -0.119 50 20 BBGD CC[C@@H](CO)C(=O)NNC(=O)c1cccn1C 779723751 LKJSFWWCKFPHPV-QMMMGPOBSA-N 239.275 -0.195 50 20 BBGD CCNC(=O)N(C)NC(=O)[C@H]1CCC(=O)N1C 807183355 ABPGVMRWKDQMAS-SSDOTTSWSA-N 242.279 -0.700 50 20 BBGD O=C(CO)NNC(=O)c1ccc2cncn2c1 807196045 PHYOWLKETGDWFM-UHFFFAOYSA-N 234.215 -0.912 50 20 BBGD CN1CCN(C(=O)NNC(=O)C(C)(C)F)CC1 807380432 INUFKVVPVHTVKS-UHFFFAOYSA-N 246.286 -0.277 50 20 BBGD CCC(=O)NNC(=O)[C@H](C)N1CCC(N)CC1 843344892 FRNQFIPRYISBJH-QMMMGPOBSA-N 242.323 -0.645 50 20 BBGD CC[C@H](C#N)C(=O)NNC(=O)c1ccnnc1 846268269 ZXKIJLNQGBDKKG-SSDOTTSWSA-N 233.231 -0.213 50 20 BBGD CN(NC(=O)[C@H]1CCN1C(C)(C)C)C(N)=O 897278075 OHHXCVKKEBWIDK-SSDOTTSWSA-N 228.296 -0.099 50 20 BBGD Cc1nnccc1C(=O)NN(C)C[C@@H](C)O 910160424 IBCXQZRSKXUOJN-SSDOTTSWSA-N 224.264 -0.258 50 20 BBGD CC[C@H](NC(=O)CCl)C(=O)N1CCOCC1 1116438693 XYHDNCRFGNERKC-QMMMGPOBSA-N 248.710 -0.021 50 20 BBGD C[S@@](=O)CCNC(=O)NNc1cccnn1 1251971772 CRMLQIDICOXBLK-MRXNPFEDSA-N 243.292 -0.519 50 20 BBGD CC(=O)NNC(=O)c1c(Cl)cnn1C 1333766279 HOPWESVTUQRKQM-UHFFFAOYSA-N 216.628 -0.146 50 20 BBGD O=C(CCO)NNC(=O)Nc1cncc(F)c1 1339861459 HVJNVQMBXSWTNS-UHFFFAOYSA-N 242.210 -0.244 50 20 BBGD CCN(CCO)NC(=O)CC1COC1 1354083104 LNVPKSIWARGUJO-UHFFFAOYSA-N 202.254 -0.632 50 20 BBGD O=C(NNC(=O)C1CC1)c1cnn(CCO)c1 1518761015 JZLABOZCCFMFJJ-UHFFFAOYSA-N 238.247 -0.954 50 20 BBGD Nc1ccc(C(=O)NNC(=O)c2ncon2)cc1 1580440056 MSRUBBKEXWHNHI-UHFFFAOYSA-N 247.214 -0.273 50 20 BBGD COc1ccnc(NNC(=O)[C@H](C)C(=O)O)n1 1594150988 TUQDMXJLJQLIDU-YFKPBYRVSA-N 240.219 -0.351 50 20 BBGD Cn1cc(/C=C(\C#N)C(=O)NCCC(=O)O)cn1 1594538020 NRCQECJSNIAUNZ-RUDMXATFSA-N 248.242 -0.082 50 20 BBGD O=C(NNc1ccncn1)[C@H]1C[C@H]1C(=O)O 1608483881 BNZXJCWAGKVVPJ-NTSWFWBYSA-N 222.204 -0.360 50 20 BBGD CN1C[C@H](C(=O)NNC(=O)C2CC2)CC1=O 298348500 NZDHZECOQPERPI-SSDOTTSWSA-N 225.248 -0.978 50 20 BBGD CNC(=O)NNC(=O)C1(SC)CC1 307531351 XCUMCGNLEDQXCS-UHFFFAOYSA-N 203.267 -0.158 50 20 BBGD COC(=O)NNC(=O)c1cccnc1O 490541727 MHRBGOUIOWUPFI-UHFFFAOYSA-N 211.177 -0.212 50 20 BBGD OB(O)c1ccc(CNCCn2ccnc2)cc1 585014371 PHCXSBMXHAJWBG-UHFFFAOYSA-N 245.091 -0.647 50 20 BBGD O=S(=O)(CCC1CC1)N1CC[C@@H](B(O)O)C1 585058129 AMDAWWLDZHPIOG-SECBINFHSA-N 247.125 -0.335 50 20 BBGD O=S(=O)(CCl)NC[C@H]1C[C@@H](O)C1 720906801 FKRBUAUBSWCVGC-OLQVQODUSA-N 213.686 -0.127 50 20 BBGD CNC(=O)NNC(=O)[C@H](C)N1CCSCC1 750854728 SAGZZSYRGHUFSO-ZETCQYMHSA-N 246.336 -0.616 50 20 BBGD O=C(NNC(=O)[C@H]1C[C@]12CCOC2)C1CC1 763724194 XIVQJLHHSAUFKK-KCJUWKMLSA-N 224.260 -0.030 50 20 BBGD COc1ccc(C(=O)NNC(=O)CO)c(O)c1 777781511 XJWHDBYLBVJYBK-UHFFFAOYSA-N 240.215 -0.846 50 20 BBGD CCOCCC(=O)NNC(=O)C(C)(C)O 787946210 PSQWQOLJHYSXHN-UHFFFAOYSA-N 218.253 -0.669 50 20 BBGD O=C(NNC(=O)[C@@H]1CCOC1)[C@@H]1CCCCO1 792620817 FIAUEFQFWCPILR-BDAKNGLRSA-N 242.275 -0.261 50 20 BBGD O=C(COC(F)F)NNC(=O)NCC1CC1 795587221 LMDUYMSUWOXRNU-UHFFFAOYSA-N 237.206 -0.034 50 20 BBGD O=C(CO)NNC(=O)[C@@H](F)C(F)(F)F 810919152 DXNOVRIAEOSLHW-GSVOUGTGSA-N 218.106 -0.974 50 20 BBGD COCC(Cc1ccccc1)=NNC(=O)C(N)=O 814695711 NHHABFZBYUAQLG-UHFFFAOYSA-N 249.270 -0.167 50 20 BBGD O=C(Cc1cc[nH]n1)NN=Cc1ncc[nH]1 814956831 FTKOBGLCDLUFAA-UHFFFAOYSA-N 218.220 -0.174 50 20 BBGD CCN(CCO)NC(=O)c1ncoc1C 823853018 XFQGZMCNQHEIRR-UHFFFAOYSA-N 213.237 -0.058 50 20 BBGD Cc1cnc(C(=O)NN(C)[C@@H](C)CO)cn1 823993500 RAUOBKURFYDQDH-QMMMGPOBSA-N 224.264 -0.258 50 20 BBGD CCNC(=O)NN=C(C)c1cn(C)nn1 834945402 OFHKVTDIJLSMBH-UHFFFAOYSA-N 210.241 -0.142 50 20 BBGD CO[C@H](C)C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 843648003 VPXWLMUSGXCMQS-BWZBUEFSSA-N 230.264 -0.406 50 20 BBGD CNC(=S)N(C)NC(=O)[C@@]1(O)CCSC1 854923456 WMBZNFBTGZKBQD-MRVPVSSYSA-N 249.361 -0.678 50 20 BBGD COCCN(C)NC(=O)Cn1nccc1C 861657294 SYVCUILGPAYDJN-UHFFFAOYSA-N 226.280 -0.199 50 20 BBGD COC/C=C\C(=O)NNC(=O)Cc1cc[nH]n1 865197391 CKYBPFIYOSLJMK-IHWYPQMZSA-N 238.247 -0.698 50 20 BBGD C[C@@H](O)CN(C)NC(=O)[C@@H]1CCCCN1C 910162076 CMQQJFWQOYRVOE-ZJUUUORDSA-N 229.324 -0.186 50 20 BBGD CC(=O)NNC(=O)CC[C@]1(C)CCC(=O)N1 1256317050 UTFZSPVMEHIMKO-JTQLQIEISA-N 227.264 -0.397 50 20 BBGD Cc1nn[nH]c1C(=O)NNC(=O)NCC1CC1 1322298838 PRZCESJJGQMVCZ-UHFFFAOYSA-N 238.251 -0.533 50 20 BBGD Cn1nncc1C=NNC(=O)Cc1cc[nH]n1 1324928853 VKVTUSBGEKQART-UHFFFAOYSA-N 233.235 -0.769 50 20 BBGD Cn1cc(C=NNC(=O)[C@H]2CCC(=O)N2)cn1 1329192579 TUJRYOJBPFOHTB-MRVPVSSYSA-N 235.247 -0.851 50 20 BBGD COC(=O)C(=O)NNC(=O)NCC1CC(C)C1 1331049801 OSMHYUJVUINKHO-UHFFFAOYSA-N 243.263 -0.464 50 20 BBGD Cc1onc(CO)c1C(=O)NN(C)C[C@H](C)O 1339538196 AJHFAKJDZZELIX-LURJTMIESA-N 243.263 -0.567 50 20 BBGD C[C@H](C(=O)O)C(=O)NN=c1cc[nH]cc1F 1588575651 IHIPCOLAXAWIPO-YFKPBYRVSA-N 227.195 -0.194 50 20 BBGD O=C(O)CCCNC(=O)NNc1ccncn1 1606179196 WDARNQHCVQQUDI-UHFFFAOYSA-N 239.235 -0.033 50 20 BBGD CCCC(=O)N1CCC[C@H]1C(=O)NNC(C)=O 274230061 UDLFIQQLZNFYFK-VIFPVBQESA-N 241.291 -0.055 50 20 BBGD CCOC(=O)NN=Cc1cnc(N)nc1 382393189 WQFYIUAPJFCKKY-UHFFFAOYSA-N 209.209 0.139 50 20 BBGD COC(=O)NNC(=O)C1=COCCO1 490596578 QAOGCJDXPLMNDE-UHFFFAOYSA-N 202.166 -0.738 50 20 BBGD O=C(CNC(=O)C1CC1)NNc1cnccn1 734245131 JJTUIQCICGEKTN-UHFFFAOYSA-N 235.247 -0.554 50 20 BBGD Cc1cc(C(=O)NNC(=O)c2cnn(C)c2)no1 735445804 ACIYDDPKARZIGV-UHFFFAOYSA-N 249.230 -0.209 50 20 BBGD CCOCC(=O)NNC(=O)NCCCC#N 753265203 WHPDUBKEYPKCMK-UHFFFAOYSA-N 228.252 -0.343 50 20 BBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)C(C)(C)O 768261016 JYWOJQPNSPEOTG-NKWVEPMBSA-N 230.264 -0.670 50 20 BBGD COCCN(C)NC(=O)CCn1ccnn1 808071487 BESVBDNCQJAJEC-UHFFFAOYSA-N 227.268 -0.722 50 20 BBGD Cn1cc(C(=O)NNC(=O)c2cncn2C)cn1 809684491 DNNHFZWUGFVLRV-UHFFFAOYSA-N 248.246 -0.772 50 20 BBGD C=C[C@H](O)C(=O)NNC(=O)NC1CCCC1 824343392 XKFAONOVULVXLD-QMMMGPOBSA-N 227.264 -0.194 50 20 BBGD CCCCOCC(=O)NNC(=O)c1cc[nH]n1 855358861 YCSDOPCTKGYZMF-UHFFFAOYSA-N 240.263 -0.013 50 20 BBGD CO[C@@H](C(=O)NNC(=O)c1cn[nH]c1)C(C)C 862470291 CZFPLHPKPUNTHW-MRVPVSSYSA-N 240.263 -0.158 50 20 BBGD O=C(NNC(=O)C1CC=CC1)C(=O)NC1CC1 1116113080 PWWWPDISIFCZBD-UHFFFAOYSA-N 237.259 -0.621 50 20 BBGD C[C@@H](C(=O)NNC(=O)N(C)C)n1cncn1 1253935114 MRIDEMRXPUQWPL-LURJTMIESA-N 226.240 -0.859 50 20 BBGD C#CCNC(=S)NNC(=O)c1ccc[nH]1 1319619573 XXBUGCNCTQCSQK-UHFFFAOYSA-N 222.273 -0.243 50 20 BBGD CNC(=O)NNC(=O)c1ccn(CCOC)n1 1320587762 MZCHLIPBONBDPE-UHFFFAOYSA-N 241.251 -0.897 50 20 BBGD C[C@@H](CO)N(C)NC(=O)[C@H]1CCN(C)C(=O)C1 1329862826 RYJSHKAXVFPVAS-IUCAKERBSA-N 243.307 -0.801 50 20 BBGD C[C@H](CO)N(C)NC(=O)C(=O)c1cccn1C 1329862856 SHBLBUMTLHZNDT-MRVPVSSYSA-N 239.275 -0.448 50 20 BBGD Cn1nncc1C(=O)NNc1ncc(F)cn1 1339844012 LKCJXVSSZGCTGW-UHFFFAOYSA-N 237.198 -0.499 50 20 BBGD COC(=O)N(C)NC(=O)[C@@H]1CCCN1C(N)=O 1341212173 RWSHRBBVSFCABI-LURJTMIESA-N 244.251 -0.741 50 20 BBGD NC(=O)C(=O)NNC(=O)c1ccccc1Cl 5945847 VNIFKYALQJGYMO-UHFFFAOYSA-N 241.634 -0.414 50 20 BBGD C[C@@H]1CO[C@@H](CO)CN1S(=O)(=O)CCl 88093844 GMUGGHNSPLYKQD-RNFRBKRXSA-N 243.712 -0.406 50 20 BBGD COC(C)(C)CC(=O)NN(C)C(N)=O 279935391 RDDFRVPWBFVSOT-UHFFFAOYSA-N 203.242 -0.157 50 20 BBGD OB(O)c1cccc(CN[C@@H]2CCCC[C@H]2O)c1 585035935 AJHKCVYMGLEKRI-CHWSQXEVSA-N 249.119 -0.241 50 20 BBGD OB(O)c1ccc(CNCCOC(F)F)cc1 585047262 MIPOUCSSRHFELL-UHFFFAOYSA-N 245.034 -0.305 50 20 BBGD OC/C=C/CNCc1ccccc1B(O)O 585047802 VVKKUBXMAGUFBI-ONEGZZNKSA-N 221.065 -0.996 50 20 BBGD CC(C)CC(=O)NNC(=O)C1=NNC(=O)C1 732262760 XYNRWDPCEPJWLT-UHFFFAOYSA-N 226.236 -0.944 50 20 BBGD CCCOCC(=O)NNC(=O)N1CCOCC1 745995996 HEOVMFDVVIEXOQ-UHFFFAOYSA-N 245.279 -0.514 50 20 BBGD Cc1c[nH]nc1C(=O)NNC(=O)c1cnn(C)c1 799417822 SQZAEPCTJUVFPW-UHFFFAOYSA-N 248.246 -0.474 50 20 BBGD CO[C@H](C)C(=O)NNC(=O)CC1CC1 819110122 UIXVSAWXCLBSKM-ZCFIWIBFSA-N 200.238 -0.031 50 20 BBGD C=C[C@@H](O)C(=O)NNC(=O)C(C)(C)C 822245106 RVPSVKPABPRKIB-ZCFIWIBFSA-N 200.238 -0.273 50 20 BBGD CCn1cnc(C(=O)NN(C)C[C@@H](C)O)c1 823592583 SEKFUVJDNWJLAA-MRVPVSSYSA-N 226.280 -0.140 50 20 BBGD C[C@H](CO)N(C)NC(=O)[C@@H]1CCC(=O)C1 823913146 PBZXEMDLNNENKC-HTQZYQBOSA-N 214.265 -0.301 50 20 BBGD CCn1nc(C)c(C=NNC(=O)NC)n1 834943536 CQWJFCAXTMCVQJ-UHFFFAOYSA-N 210.241 -0.131 50 20 BBGD Cc1nonc1CC(=O)NNC(=O)NC(C)C 845324232 XKRCMBYKGOFVKA-UHFFFAOYSA-N 241.251 -0.341 50 20 BBGD CNC(=O)NNC(=O)C1(CN(C)C)CC1 874168511 CLIAXYCGECQJSY-UHFFFAOYSA-N 214.269 -0.712 50 20 BBGD COc1ccnc(NNC(=O)CNC(C)=O)n1 920444588 KISLWEUCWUUIGE-UHFFFAOYSA-N 239.235 -0.936 50 20 BBGD Cn1cc(/C=C(/C#N)C(=O)NC/C=C/CO)cn1 1261751333 VAZWTWAYCHSSEY-OKAJUWNNSA-N 246.270 -0.008 50 20 BBGD O=C1CC[C@@H](C(=O)NN=Cc2nccs2)N1 1261833267 RQFFCDXMWJOXHV-LURJTMIESA-N 238.272 -0.128 50 20 BBGD O=C1CC[C@H](C(=O)NNC(=O)C2CCC2)N1 1318380227 ARDLAVXYKNJIRO-SSDOTTSWSA-N 225.248 -0.788 50 20 BBGD CN(NC(=O)[C@H]1CC12CCOCC2)C(N)=O 1319841346 BTONYGMKRAWJBH-SSDOTTSWSA-N 227.264 -0.155 50 20 BBGD CN1CCC(=NNC(=O)C2CCOCC2)C1=O 1331351225 XHYRTWUIHIFKRW-UHFFFAOYSA-N 239.275 -0.253 50 20 BBGD C[C@@H](O)CN(C)NC(=O)C[C@@H](C)CC(=O)O 1593457359 RTOXKIWUDQKBTO-HTQZYQBOSA-N 232.280 -0.169 50 20 BBGD CC[C@H]1C(=O)NCCN1C(=O)CCl 82477082 UHELYJHBNSGXPU-LURJTMIESA-N 204.657 -0.038 50 20 BBGD Cc1ccc(C(=O)NNC(=O)CO)cn1 180953520 LFEKYXCKQBHZHW-UHFFFAOYSA-N 209.205 -0.857 50 20 BBGD O=C1NC(=O)[C@@H]2CCN(C(=O)CCl)C[C@@H]12 409429364 RBAGFLDBLNVPRQ-PHDIDXHHSA-N 230.651 -0.654 50 20 BBGD C[C@H]1C[C@]1(C)NC(=O)c1cccc(B(O)O)c1 585010340 NZELTUNOJIEAOA-UFBFGSQYSA-N 233.076 -0.105 50 20 BBGD CC(C)(O)C(=O)NNC(=O)[C@@]1(C)CCCOC1 768243358 CWCACOWETCDRMI-NSHDSACASA-N 244.291 -0.279 50 20 BBGD CC(C)(CO)C(=O)NNc1ncccn1 776328525 UGCGPQCURFRICM-UHFFFAOYSA-N 210.237 -0.062 50 20 BBGD O=C(CO)NN=Cc1cccc(O)c1O 776780406 IOQSBFVLZOJLGT-UHFFFAOYSA-N 210.189 -0.460 50 20 BBGD CC(=O)NNC(=O)CCOCC(F)F 790103582 JDPSTFWKGSDUFU-UHFFFAOYSA-N 210.180 -0.175 50 20 BBGD COC(=O)CNC(=O)NN=C[C@@H]1CCCOC1 814900887 MPSWNYQLIRXGTG-QMMMGPOBSA-N 243.263 -0.129 50 20 BBGD CC(=O)N1CC(C(=O)NNC(=O)CC2CC2)C1 819123424 YEMYUHBNSRJHSR-UHFFFAOYSA-N 239.275 -0.588 50 20 BBGD CC(C)S(=O)(=O)CC(=O)NN(C)C1CC1 819645769 DUQPKTIDLAQUMN-UHFFFAOYSA-N 234.321 -0.065 50 20 BBGD CC(C)(C)OC(=O)NNC(=O)[C@H]1CC(=O)N1 854162717 SXFNGTJKQGQFOY-RXMQYKEDSA-N 229.236 -0.569 50 20 BBGD C/C=C(/C)C(=O)NNC(=O)[C@H]1CCC(=O)N1 862456809 UDYOAJQJBSXJEP-FXHNIGACSA-N 225.248 -0.621 50 20 BBGD CC[C@@]1(C(=O)NNc2cnccn2)CCNC1=O 867494442 ZVLOIOKODKNVMJ-LLVKDONJSA-N 249.274 -0.164 50 20 BBGD O=C(Cc1cc[nH]n1)NNC(=O)NCC(F)F 879759528 QGDMJJDJJGSSCW-UHFFFAOYSA-N 247.205 -0.452 50 20 BBGD CN1CC[C@@H]1CNCc1ccc(B(O)O)cc1 896595361 JQNNJWWZCFSHGT-GFCCVEGCSA-N 234.108 -0.840 50 20 BBGD CCC(=O)N[C@@H](C)C(=O)NN(C)C[C@H](C)O 910170346 KIIJOVNALKGKFO-YUMQZZPRSA-N 231.296 -0.755 50 20 BBGD N#CC1=CCN(C(=O)Cn2cnc(C#N)n2)CC1 1151206850 SREJWWWTQSBOOY-UHFFFAOYSA-N 242.242 -0.168 50 20 BBGD CNC(=O)NNC(=O)c1c(C)nn2cccnc12 1317984701 VGEHYDLLYDTANZ-UHFFFAOYSA-N 248.246 -0.388 50 20 BBGD CN(NC(=O)COCc1ccncc1)C(N)=O 1326822265 JHOYFWDAYQOCCN-UHFFFAOYSA-N 238.247 -0.360 50 20 BBGD C[C@H](C(=O)NN=c1cc[nH]cc1)[C@@H]1CCC(=O)N1 1328932471 LTNMGFXLTLGFES-WPRPVWTQSA-N 248.286 -0.139 50 20 BBGD C[C@@H](CO)N(C)NC(=O)CCc1ccn(C)n1 1332470673 RJJDXZSOJVVAKN-VIFPVBQESA-N 240.307 -0.304 50 20 BBGD O=C(NN=c1cc[nH]cc1)C(=O)NC1CC1 1337482988 NYMIGRKKSGHPDW-UHFFFAOYSA-N 220.232 -0.775 50 20 BBGD NC[C@H](O)CC(=O)NNc1ccccc1 1341844925 MUNIAQFDVZMOJS-SECBINFHSA-N 209.249 -0.161 50 20 BBGD CC(=O)NNC(=O)c1coc(-c2nn[nH]n2)c1 1588870081 XLSOKBIPMFARJH-UHFFFAOYSA-N 236.191 -0.759 50 20 BBGD O=C(Cn1cnnn1)NNc1cccc(F)c1 154756478 MTNHLDCEJJIPHC-UHFFFAOYSA-N 236.210 -0.045 50 20 BBGD CCCOCC(=O)NNC(=O)C(=O)NC(C)C 299236448 FZACRJBFHCGETQ-UHFFFAOYSA-N 245.279 -0.915 50 20 BBGD CCOC(=O)NCCC(=O)NNC(=O)N(C)C 299395628 UBIXVSAVANKXDP-UHFFFAOYSA-N 246.267 -0.575 50 20 BBGD CC(C)(C)[C@@H](O)CNCc1ccc(B(O)O)o1 585024292 SXMCPKSKJIHHBJ-VIFPVBQESA-N 241.096 -0.544 50 20 BBGD CCCNC(=O)NNC(=O)[C@H]1CCCN1C 733870522 SCBBCQICQRXJPA-MRVPVSSYSA-N 228.296 -0.179 50 20 BBGD COc1cccc(F)c1C(=O)NNC(=O)CO 753437695 ADVCEURCXOBIPE-UHFFFAOYSA-N 242.206 -0.412 50 20 BBGD C[C@H]1C[C@@H](C(=O)NN(C)C(N)=O)CO1 784461051 NJNWJIYFWNYLFZ-NTSWFWBYSA-N 201.226 -0.547 50 20 BBGD C=CCNC(=S)NNC(=O)[C@H](C)N(C)C 798306339 YBEXUMWWDHSXOU-ZETCQYMHSA-N 230.337 -0.382 50 20 BBGD COCC(C)(C)C(=O)NNc1cnnn1C 816771005 UZUPOJOYYMEOAT-UHFFFAOYSA-N 227.268 -0.069 50 20 BBGD C[C@]1(C(=O)NN=c2cc[nH]cc2)CCNC1=O 821788664 XWYMXLIRHIQPJW-NSHDSACASA-N 234.259 -0.527 50 20 BBGD CCN(CCO)NC(=O)Cc1cncc(O)c1 823889284 PPIPDFHNUMXQMZ-UHFFFAOYSA-N 239.275 -0.325 50 20 BBGD CCN(CCO)NC(=O)c1conc1C 823893777 WJSICLAJMNJPOC-UHFFFAOYSA-N 213.237 -0.058 50 20 BBGD CCc1ncncc1C(=O)NN(C)[C@@H](C)CO 823971806 ZLPGULUGKLLNHH-QMMMGPOBSA-N 238.291 -0.004 50 20 BBGD CNC(=O)NNC(=O)[C@@H]1CCC[C@@H](C(=O)O)C1 831001062 UAWJEZAECOXGBN-RNFRBKRXSA-N 243.263 -0.162 50 20 BBGD CCNC(=O)NN=C1CCNC(=O)CC1 834945389 NTXQEYVEUULBHB-UHFFFAOYSA-N 212.253 -0.038 50 20 BBGD C[C@@H]1OCC[C@H]1C(=O)NN=C1COCCOC1 842549165 HQGNHTCVSFPJFG-WCBMZHEXSA-N 242.275 -0.070 50 20 BBGD NC(=O)[C@H]1CC[C@@H]1C(=O)NNC(=O)C1CCC1 847482386 LVSMOTKOSJSQJP-YUMQZZPRSA-N 239.275 -0.555 50 20 BBGD O=C(NNc1ccccn1)[C@@]1(O)CCOC1 857482798 ZGLSCNXBIFEWKZ-SNVBAGLBSA-N 223.232 -0.324 50 20 BBGD CC[C@@]1(C(=O)NNc2ncccn2)CCNC1=O 864768755 KOTPBFIEYFQTRX-LLVKDONJSA-N 249.274 -0.164 50 20 BBGD COCCN(C)NC(=O)c1noc(C)n1 883128449 HMKMJEDSMOQBTE-UHFFFAOYSA-N 214.225 -0.399 50 20 BBGD C[C@@H](O)CN(C)NC(=O)C1(CN(C)C)CC1 910139584 BGPXVEDTWLFBSM-SECBINFHSA-N 229.324 -0.328 50 20 BBGD O=C(C#CC1CC1)NNC(=O)c1cccnn1 921315838 ORPBFBIAQAKALL-UHFFFAOYSA-N 230.227 -0.349 50 20 BBGD O=C(CN1C(=O)CCC1=O)NNc1ncccn1 1123517105 HSFYODXKGIJRGT-UHFFFAOYSA-N 249.230 -0.931 50 20 BBGD O=C(NCCF)NNC(=O)c1cn[nH]c1 1261790610 QAOJNAWKKOCONO-UHFFFAOYSA-N 215.188 -0.677 50 20 BBGD Cn1ncc(/C=C(\C#N)S(C)(=O)=O)n1 1324631354 RECHSGMJRHTIJP-XVNBXDOJSA-N 212.234 -0.276 50 20 BBGD CC(=O)C1(NC(=O)c2cccc(B(O)O)c2)CC1 1332174917 IZUBUMNFSVMDSV-UHFFFAOYSA-N 247.059 -0.782 50 20 BBGD CCC(=O)NNC(=O)[C@@H](C)SCC(=O)NC 1344574259 BTULGFOVKHDSOK-ZCFIWIBFSA-N 247.320 -0.589 50 20 BBGD O=C(C[C@@H]1CCNC1)NNc1ncccn1 1346017640 NXVJHMQJBXKICL-QMMMGPOBSA-N 221.264 -0.081 50 20 BBGD COC(=O)N(C)NC(=O)[C@@](C)(C#N)CC(=O)O 1593855803 MHBHNQCZAKYCGA-SECBINFHSA-N 243.219 -0.280 50 20 BBGD C[C@H](NC(=O)/C(C#N)=C\c1cnn(C)c1)C(=O)O 1599891864 ZONDYRYQIJXKJB-MEVQIBDESA-N 248.242 -0.084 50 20 BBGD CCCN1CCC[C@H]1C(=O)NNC(=O)NC 124896760 GVAQKMCSUKZEFU-QMMMGPOBSA-N 228.296 -0.179 50 20 BBGD COc1ccc(CC(=O)NNC(=O)CO)cc1 180961480 MLMPNAUUCOAYEA-UHFFFAOYSA-N 238.243 -0.623 50 20 BBGD O=C(CC[C@@H]1CCO1)Nc1cccc(B(O)O)c1 584912847 WKJMPOSADXSMJA-LLVKDONJSA-N 249.075 -0.126 50 20 BBGD C[C@@H](C#N)CNC(=O)c1cccc(B(O)O)c1 584941190 FWQZUZQTUKRRAG-QMMMGPOBSA-N 232.048 -0.744 50 20 BBGD CCO[C@H]1C[C@@H]1NC(=O)c1cccc(B(O)O)c1 584981923 JLFXLJBMIINFGJ-QWRGUYRKSA-N 249.075 -0.726 50 20 BBGD Cc1nnc(N2CC[C@@H](B(O)O)C2)nc1C 585079242 VUPZTPQIEXGKBT-MRVPVSSYSA-N 222.057 -0.458 50 20 BBGD CC#CC[C@@H](CO)NS(=O)(=O)CCl 717771084 WLYJMBBCIFBEDC-ZETCQYMHSA-N 225.697 -0.124 50 20 BBGD CC(C)NC(=O)NNC(=O)C(C)(C)NC(=O)O 736477035 ZSFDWFQBZPBLMV-UHFFFAOYSA-N 246.267 -0.229 50 20 BBGD CCNC(=O)N(C)NC(=O)C(C)(C)NC(C)=O 768413605 TVDROPBRXHUTJQ-UHFFFAOYSA-N 244.295 -0.406 50 20 BBGD COC[C@@](C)(O)C(=O)NNc1cnccn1 775279467 XTALRBNBVGAKPO-SECBINFHSA-N 226.236 -0.683 50 20 BBGD CC[C@H](CO)C(=O)NNC(=O)c1cc(C)[nH]n1 779824429 RKMFTUASDNBLFI-SSDOTTSWSA-N 240.263 -0.502 50 20 BBGD CCO[C@@H]1CC(=NNC(=O)CO)[C@@H]1SC 807980023 IHQVLGASCGAYFQ-APPZFPTMSA-N 232.305 -0.009 50 20 BBGD CCO/C=C(\C#N)C(=O)N[C@@H]1COC(=O)C1 820073466 HJLKJWCLPOKANK-IVGLGHLBSA-N 224.216 -0.138 50 20 BBGD CCN(CCO)NC(=O)[C@]1(O)CCSC1 823869618 MZDDRHAASMSJNT-VIFPVBQESA-N 234.321 -0.800 50 20 BBGD Cc1nn(C)cc1CC(=O)NN(C)[C@H](C)CO 823917085 DKQSCQKEYOXDCT-MRVPVSSYSA-N 240.307 -0.385 50 20 BBGD C=CCNC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 825517908 BNQDIKMHVBALQM-HTQZYQBOSA-N 227.264 -0.072 50 20 BBGD COC[C@H](OC)C(=O)NNc1ncc(F)cn1 831351848 QWJKYEYOSARXGV-ZETCQYMHSA-N 244.226 -0.280 50 20 BBGD C=C[C@@](C)(O)CC(=O)NNC(=O)c1cc[nH]n1 855355993 DNGOMCAJTSCJQK-SNVBAGLBSA-N 238.247 -0.502 50 20 BBGD O=C(Cc1ncc[nH]1)NN=c1cc[nH]cc1 857483080 OYLDIBJPTKIEHD-UHFFFAOYSA-N 217.232 -0.088 50 20 BBGD O=C(NNC(=O)C1CSC1)NC1CC1 865015324 YUSJFHYTIZHRGC-UHFFFAOYSA-N 215.278 -0.158 50 20 BBGD CCOCC(=O)NN=Cc1cn(CC)nn1 901185479 PEXDMYBACUNGNY-UHFFFAOYSA-N 225.252 -0.215 50 20 BBGD CN(NC(=O)[C@]1(Cl)C[C@H]2CC[C@H]1O2)C(N)=O 907189395 XJDBGGILBIIURY-KCRUCZTKSA-N 247.682 -0.043 50 20 BBGD COC(=O)NNC(=O)CCCCNC(N)=O 1115819741 XIVUNEAZAJALFE-UHFFFAOYSA-N 232.240 -0.788 50 20 BBGD CC(F)(F)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 1331691083 LPNJSKUGXMJFCL-BYPYZUCNSA-N 235.190 -0.932 50 20 BBGD N#CSCCCNC(=O)C[C@H]1CC(=O)N1 1334387929 CWCKGVPGAOBACQ-ZETCQYMHSA-N 227.289 -0.014 50 20 BBGD CCNC(=O)N(C)NC(=O)C12CC(CN1)C2 1340216999 RWFKWKNVSHKUHM-UHFFFAOYSA-N 226.280 -0.569 50 20 BBGD CC(C)NC(=O)C(=O)NNC(=O)[C@@H]1C[C@H]1F 1520746528 FYITZKAQBRXATH-PHDIDXHHSA-N 231.227 -0.984 50 20 BBGD COCCC(C)=NNC(=O)NCC(=O)O 1599209354 AUKGMFYOYVWIRR-UHFFFAOYSA-N 217.225 -0.217 50 20 BBGD Cn1c(C=NNC(=O)C(=O)O)cnc1Cl 1608088250 YDTBUTJVSSJHIF-UHFFFAOYSA-N 230.611 -0.392 50 20 BBGD CN(NC(=O)c1n[nH]c(=O)[nH]1)c1ccccc1 48734432 CXHDDKMTJAKKJY-UHFFFAOYSA-N 233.231 -0.121 50 20 BBGD Cc1cc(NC(=O)NNC(=O)CO)ccn1 183434477 OUDXIYZIWTYXMY-UHFFFAOYSA-N 224.220 -0.465 50 20 BBGD COC(=O)[C@@H]1C[C@@H]1C(=O)NN(C)C(=O)OC 286257038 HGBILAQPRIVEHB-NTSWFWBYSA-N 230.220 -0.475 50 20 BBGD O=C(NC1CCC1)c1cc(B(O)O)ccc1F 382639440 LHGSGXKFABRZET-UHFFFAOYSA-N 237.039 -0.212 50 20 BBGD C[C@@](O)(CNCc1cccc(B(O)O)c1)C1CC1 585024079 PVRVKRSYFFCFDW-CYBMUJFWSA-N 249.119 -0.383 50 20 BBGD CC[C@@H]1CC[C@@H](C(=O)NNC(=O)CO)O1 753445038 DKEPVRQPSBZUKZ-RQJHMYQMSA-N 216.237 -0.916 50 20 BBGD CCc1csc(NC(=O)NNC(=O)CO)n1 756815010 OLSXOQUPMYCHHE-UHFFFAOYSA-N 244.276 -0.150 50 20 BBGD CN(NC(=O)Cc1ncccc1F)C(N)=O 792290793 RXQJNCXGQGEVET-UHFFFAOYSA-N 226.211 -0.195 50 20 BBGD C[C@@H]1COC(=O)C1=NNC(=O)C(F)F 794929074 OHQZDBWECFIKQX-GSVOUGTGSA-N 206.148 -0.083 50 20 BBGD Cn1nncc1C(=O)NNC(=O)C1CCCC1 798389626 HKOYOAVMCZHORQ-UHFFFAOYSA-N 237.263 -0.234 50 20 BBGD C[C@@H](O)CN(C)NC(=O)[C@@H]1CCCO1 821217919 RBGMPVVMIZFPCR-SFYZADRCSA-N 202.254 -0.491 50 20 BBGD CCN(CCO)NC(=O)CCCOC 823847493 WBMKBXQFSBMDHD-UHFFFAOYSA-N 204.270 -0.242 50 20 BBGD CCN(CCO)NC(=O)Cc1cncn1C 823874213 ODKRBSGZCWKXAQ-UHFFFAOYSA-N 226.280 -0.692 50 20 BBGD CNC(=S)N(C)NC(=O)C(C)(C)CO 854922395 ITXNASFIDCKHOX-UHFFFAOYSA-N 219.310 -0.528 50 20 BBGD CC1(C)C[C@@H]1C(=O)NNC(=O)[C@H]1CCC(=O)N1 862457592 LWBRRIKDNNTXQM-RNFRBKRXSA-N 239.275 -0.542 50 20 BBGD C[C@@H]1CC(=NNC(=O)CS(C)(=O)=O)CN1C 863187474 MONSLWXBXRTCLG-SSDOTTSWSA-N 247.320 -0.773 50 20 BBGD COC/C=C/C(=O)NNC(=O)Cc1ccncc1 866322164 VFCIRCWQGIBAPA-NSCUHMNNSA-N 249.270 -0.026 50 20 BBGD COCCC(=O)NNC(=O)Cc1cc(C)[nH]n1 869012357 OCQQXCGIILDWFR-UHFFFAOYSA-N 240.263 -0.555 50 20 BBGD CN(CCCF)CC(=O)NNC(=O)C1CC1 887141388 RBDHLRYNNCIEEK-UHFFFAOYSA-N 231.271 -0.165 50 20 BBGD CC[C@@H](NC(C)=O)C(=O)NN(C)C[C@@H](C)O 910181460 DPFQWJNORXRHJA-VXNVDRBHSA-N 231.296 -0.755 50 20 BBGD COC(=O)C(=O)NN=Cc1ccc(C#N)o1 1116189451 PEFLXVWXRMUWFF-UHFFFAOYSA-N 221.172 -0.226 50 20 BBGD CS(=O)(=O)c1ncnn1C/C=C\C#N 1261889169 PPHUKTZLVTUEMP-IHWYPQMZSA-N 212.234 -0.239 50 20 BBGD CC(C)[C@H](F)C(=O)NNC(=O)C(=O)NC1CC1 1320711215 PJQMEWSUQNCNKU-ZETCQYMHSA-N 245.254 -0.594 50 20 BBGD COCCCC(=O)NNc1nccn(C)c1=O 1322288954 YDHKYLDXKGYJPT-UHFFFAOYSA-N 240.263 -0.350 50 20 BBGD CN(CC(F)F)C(=O)NNC(=O)c1cn[nH]c1 1328804440 RLLZWUBQBXSXJK-UHFFFAOYSA-N 247.205 -0.039 50 20 BBGD COC(=O)N(C)NC(=O)C[C@@]1(O)CCCNC1 1578822385 BZBGWPKVEIDBPL-JTQLQIEISA-N 245.279 -0.780 50 20 BBGD CN(NC(=O)C1(C(=O)O)CCC1)C(N)=O 1604195760 VHVMDXVHGQFYSO-UHFFFAOYSA-N 215.209 -0.717 50 20 BBGD CCO[C@H](C)C(=O)NNC(=O)c1c[nH]nc1C 109858579 QKADKAROPWZGGA-SSDOTTSWSA-N 240.263 -0.096 50 20 BBGD CCc1cc(C(=O)NNC(=O)CN(C)C)[nH]n1 113426686 FKSKBFOPYWLMEZ-UHFFFAOYSA-N 239.279 -0.705 50 20 BBGD O=S(=O)(CBr)N1CC[C@H](O)C1 127438811 YDXFRUUAAHIIOW-YFKPBYRVSA-N 244.110 -0.265 50 20 BBGD COC(=O)NNC(=O)[C@H]1CCO[C@@H]1C 158747184 HEFNRRLNMLREHZ-RITPCOANSA-N 202.210 -0.201 50 20 BBGD NC(=O)C(=O)NN=Cc1ccc(N)cc1Cl 309531377 DJWSMGNTJASWID-UHFFFAOYSA-N 240.650 -0.142 50 20 BBGD Cc1ccc(/C=C/C(=O)NCB(O)O)o1 585056926 ZGMNHFBMCZWCLV-SNAWJCMRSA-N 209.010 -0.271 50 20 BBGD CS[C@H](C)C(=O)N1CC[C@H](B(O)O)C1 585074931 DNUSCVAYWISLAI-RQJHMYQMSA-N 217.099 -0.187 50 20 BBGD Cn1cc(C=NNC(=O)c2cnn(C)c2)cn1 735411131 NBHSDDFWLWLUMG-UHFFFAOYSA-N 232.247 -0.083 50 20 BBGD CN(C)C(=O)NN=C1CCS(=O)(=O)C1 745602683 VPYZKDDMSOBZJP-UHFFFAOYSA-N 219.266 -0.568 50 20 BBGD O=C(CO)NNC(=O)c1noc2c1CCCC2 777781733 CVPNHRHYRWRVEE-UHFFFAOYSA-N 239.231 -0.693 50 20 BBGD COC(=O)CNC(=O)NN=C1CN(C)C[C@H]1C 779817439 RMSBTPOEISZDBC-SSDOTTSWSA-N 242.279 -0.604 50 20 BBGD Cn1ccc(CC(=O)NNC(=O)c2ccc[nH]2)n1 782554036 WPLZXUPABJFUKF-UHFFFAOYSA-N 247.258 -0.248 50 20 BBGD CCN(CCO)NC(=O)[C@H]1CCOC1 823377377 RWGLTBKEXKVJLL-QMMMGPOBSA-N 202.254 -0.632 50 20 BBGD COCCCNC(=O)NNC(=O)[C@@H](O)C1CC1 823815552 HSLCRZGXLNWSRZ-QMMMGPOBSA-N 245.279 -0.876 50 20 BBGD C[C@H](CO)N(C)NC(=O)Cc1cnn(C)c1 823966101 ZAWKEXDFPLAZFS-MRVPVSSYSA-N 226.280 -0.694 50 20 BBGD CC(C)C(=O)NNC(=O)[C@@H]1CC[C@H]1C(N)=O 847290188 VMNLSKQMEAEJDY-RNFRBKRXSA-N 227.264 -0.699 50 20 BBGD CC(=NNC(=O)CO)c1cncnc1C 848406240 AXSVXMHYPJBUBZ-UHFFFAOYSA-N 208.221 -0.382 50 20 BBGD COC1CC(C(=O)NNC(=O)NC2CC2)C1 858778524 MUPOHUBWAUXGPU-UHFFFAOYSA-N 227.264 -0.096 50 20 BBGD Cc1ncc(C(=O)NN(C)C[C@H](C)O)n1C 910181828 GHJNNMJNDVOZHU-ZETCQYMHSA-N 226.280 -0.314 50 20 BBGD O=C(NC[C@@H]1COCO1)NNc1ncccn1 923857921 CNTZPULGHDHSCU-SSDOTTSWSA-N 239.235 -0.524 50 20 BBGD CCCNC(=O)NNC(=O)[C@H]1CCC(=O)N1C 930791630 QNVBYAPJQGYLJB-SSDOTTSWSA-N 242.279 -0.652 50 20 BBGD CC(=O)N[C@@H](C)C(=O)NNC(=S)NC(C)C 1317668188 PVTGFPIRXYIPEQ-LURJTMIESA-N 246.336 -0.585 50 20 BBGD CNC(=O)CCCC(=O)NNC(=O)NC1CC1 1320803684 PGYZNXQGQVBSFV-UHFFFAOYSA-N 242.279 -0.605 50 20 BBGD Cn1ccc(C(=O)NNc2ncccn2)n1 1321458889 ZHYPAIMMYQYEFT-UHFFFAOYSA-N 218.220 -0.033 50 20 BBGD O=C(NNc1ncnc2[nH]cnc12)c1cnc[nH]1 1323268464 IZXABDOGKRPNHH-UHFFFAOYSA-N 244.218 -0.167 50 20 BBGD COc1ccc(C=NNC(=O)CCO)cn1 1338501447 XJEWXRQMVIUTBS-UHFFFAOYSA-N 223.232 -0.077 50 20 BBGD CC[C@H](NCc1ccc(B(O)O)cc1)C(=O)O 1593623735 IOFYQVZZJZVDRP-JTQLQIEISA-N 237.064 -0.681 50 20 BBGD CN(N=Cc1cc(C(=O)O)no1)C(N)=O 1606179063 BEMSZXOMOINRBP-UHFFFAOYSA-N 212.165 -0.283 50 20 BBGD Cc1ccc2c(c1)C(=O)N([C@H](C)C(=O)NN)C2=O 193524327 SQWRXADORQIPDL-SSDOTTSWSA-N 247.254 -0.031 50 20 BBGD O=C(NNC(=O)[C@H]1CCCO1)c1cn[nH]c1 293753763 CAELCQCYBGYWEA-SSDOTTSWSA-N 224.220 -0.650 50 20 BBGD CCO[C@@H]1C[C@@H]1C(=O)NNC(=O)NC 299094596 BCMOXXVVIFHYQO-NTSWFWBYSA-N 201.226 -0.628 50 20 BBGD CN(C)C(=O)NNC(=O)COCC(F)(F)F 299347553 GAHGFUFAQBWUDD-UHFFFAOYSA-N 243.185 -0.132 50 20 BBGD CCO/C=C(\C#N)C(=O)N1CC(CC(N)=O)C1 490702423 ZBYVCWCLLDDCKX-VQHVLOKHSA-N 237.259 -0.236 50 20 BBGD COC(=O)NNS(=O)(=O)C[C@H](C)OC 495716437 ICFCGGHXDODSCG-YFKPBYRVSA-N 226.254 -0.788 50 20 BBGD CN(C)C(=O)NNC(=O)c1ccc([N+](=O)[O-])[nH]1 746001242 CUGMCDYNZJFSDK-UHFFFAOYSA-N 241.207 -0.161 50 20 BBGD CCO[C@@H](CC(=O)NNC(=O)CO)C(C)C 753442989 QTQNHXZDKHMCAV-QMMMGPOBSA-N 232.280 -0.423 50 20 BBGD NC(=O)NN=Cc1cc(C(N)=O)cs1 755874997 SPIAQNQYRFRXPR-UHFFFAOYSA-N 212.234 -0.151 50 20 BBGD CC(=NNC(=O)C(N)=O)c1cccc(C(=O)O)c1 764658820 SEQZCUTZCGMAFL-UHFFFAOYSA-N 249.226 -0.290 50 20 BBGD CS(=O)(=O)NCCN1CC=C(C#N)CC1 779591204 YJNZPMHWZVPNCP-UHFFFAOYSA-N 229.305 -0.309 50 20 BBGD CNc1nc(C)cc(C(=O)NN(C)C(N)=O)n1 798302559 YMMNNCACEAKIAB-UHFFFAOYSA-N 238.251 -0.518 50 20 BBGD CNC(=O)NNC(=O)[C@@](C)(O)C1CC1 804290681 UCSVYNCZRQPBFQ-QMMMGPOBSA-N 201.226 -0.892 50 20 BBGD C[C@H](CO)N(C)NC(=O)/C=C/[C@H]1CCOC1 823918070 QZMNTIYSEAKIRW-OKWQPMOJSA-N 228.292 -0.077 50 20 BBGD C[C@H](CO)N(C)NC(=O)[C@H]1CCCOC1 823959543 KXADEFMNIISGBB-BDAKNGLRSA-N 216.281 -0.243 50 20 BBGD COCCC(=O)NNC(=O)[C@H]1CCO[C@H]1C 843643802 AIXYQSOFPHBBBS-YUMQZZPRSA-N 230.264 -0.405 50 20 BBGD CC(C)CNC(=O)NNC(=O)[C@@H]1CCC(=O)N1 920857458 MYFQLNAGNKDRNA-ZETCQYMHSA-N 242.279 -0.749 50 20 BBGD CC[C@@H](NC(=O)NNC(=O)C(=O)OC)C1CC1 1118617215 IYIFMQNOKONETP-SSDOTTSWSA-N 243.263 -0.322 50 20 BBGD NC(=O)[C@H]1CC[C@H]1C(=O)NNc1ccncn1 1327112416 JCBMHQKKRWDLSQ-NKWVEPMBSA-N 235.247 -0.569 50 20 BBGD O=C(Cc1cscn1)N1CC[C@@H](B(O)O)C1 1329291227 BIDFEWHKTMVUHA-SSDOTTSWSA-N 240.093 -0.239 50 20 BBGD Cc1cnc(C(=O)N2CC[C@H](B(O)O)C2)cn1 1331896409 QXESYMGDIAYGLG-QMMMGPOBSA-N 235.052 -0.526 50 20 BBGD CC(=O)NNC(=O)[C@H]1CC[C@H]1C(=O)O 1603052946 ZJCLILCJSDXQPS-NTSWFWBYSA-N 200.194 -0.736 50 20 BBGD CCNC(=O)CNC(=O)NNC(=O)C(C)(C)C 79268292 BQYCFSCGFFQJMO-UHFFFAOYSA-N 244.295 -0.501 50 20 BBGD COC(=O)NNC(=O)C(=O)N1CCC[C@H](C)C1 282993119 QMIJLFLSZPRCNO-ZETCQYMHSA-N 243.263 -0.368 50 20 BBGD Cc1ncncc1C(=O)NNC(=O)C1CC1 298632283 GONKRRXBMFAZLB-UHFFFAOYSA-N 220.232 -0.044 50 20 BBGD CCS(=O)(=O)CC(C)=NNC(C)=O 308200180 XKULDFMZERSEIW-UHFFFAOYSA-N 206.267 -0.067 50 20 BBGD COC(=O)N(C)NC(=O)[C@@H](C)n1cncn1 496321925 GUSNPRWKWZOBCV-ZCFIWIBFSA-N 227.224 -0.432 50 20 BBGD CO[C@@H](C)CNCc1ccc(B(O)O)o1 585036445 HMNJKCXDHPESEO-ZETCQYMHSA-N 213.042 -0.916 50 20 BBGD N#CC1(CNCc2ccccc2B(O)O)CC1 585039121 NRIYEIALHWSGTL-UHFFFAOYSA-N 230.076 -0.240 50 20 BBGD CCCC(=O)NNC(=O)C(=O)NC(C)C 726612562 FQWWBOWSKZQYRB-UHFFFAOYSA-N 215.253 -0.542 50 20 BBGD CC(C)(C)C(=O)NNC(=O)[C@H]1C[C@H]1C(=O)O 736241216 IDHUMILUIXMDLU-NTSWFWBYSA-N 228.248 -0.099 50 20 BBGD CC(=O)N[C@@H](C)C(=O)NN=c1cc[nH]cc1 780757657 VGZYCEXIIIWQKF-ZETCQYMHSA-N 222.248 -0.529 50 20 BBGD CC(=NNC(=O)C(=O)NC1CC1)[C@@H]1CCCO1 783815685 HFOPIVLHVQKQLA-VIFPVBQESA-N 239.275 -0.064 50 20 BBGD CC(=O)N1CC(C(=O)NNC(=O)CC(C)C)C1 788137928 GFRPDAKNRONLRB-UHFFFAOYSA-N 241.291 -0.342 50 20 BBGD CC[C@](C)(O)C(=O)NNC(=O)[C@@H]1CCO[C@H]1C 823475172 OIULKRVZURSAHB-RNSXUZJQSA-N 244.291 -0.280 50 20 BBGD CCN(CCO)NC(=O)COC1CCOCC1 823859993 GEMRHKUDNYOTIR-UHFFFAOYSA-N 246.307 -0.473 50 20 BBGD Cn1ncnc1C(=O)NNC(=O)C1CCC1 853801869 MAMYBGKDBYEMIK-UHFFFAOYSA-N 223.236 -0.624 50 20 BBGD COC[C@@H](OC)C(=O)NNC(=O)C(C)C 854214614 OEFWDEJZOAXDAX-SSDOTTSWSA-N 218.253 -0.549 50 20 BBGD CNC(=S)N(C)NC(=O)C1(COC)CC1 854922277 DMPXPGHGUDFFJH-UHFFFAOYSA-N 231.321 -0.120 50 20 BBGD Cc1cc(=NNC(=O)[C@H]2CCN(C)C2=O)cc[nH]1 862512139 LKUZKLIFDDJLJZ-SNVBAGLBSA-N 248.286 -0.267 50 20 BBGD CN(NC(=O)CCC1(O)CCC1)C(N)=O 867132321 YOKQHOHJELCVCN-UHFFFAOYSA-N 215.253 -0.277 50 20 BBGD CCCNC(=O)CCC(=O)NN(C)C[C@H](C)O 910165250 IHRBIVMIXPDTAO-VIFPVBQESA-N 245.323 -0.363 50 20 BBGD CC(=O)NNC(=O)[C@@H]1CC(=O)N(C(C)(C)C)C1 920430608 TYKABDGQOSRMRA-MRVPVSSYSA-N 241.291 -0.199 50 20 BBGD CCOCC(=O)NNC(=O)NC1CCOCC1 1318362978 MSWHUTWUNFZKBG-UHFFFAOYSA-N 245.279 -0.468 50 20 BBGD CC(=NNC(=O)C(N)=O)C1CCOCC1 1319057689 LWUDXPHIDOMULW-UHFFFAOYSA-N 213.237 -0.610 50 20 BBGD COCCCNC(=O)NNC(=O)CC#N 1320677855 PXRNEHUYEOQWSA-UHFFFAOYSA-N 214.225 -0.733 50 20 BBGD Cn1nncc1NNC(=O)[C@@]1(F)CCOC1 1328637881 UDNGNOISRHNLDF-MRVPVSSYSA-N 229.215 -0.613 50 20 BBGD COC(=O)C(=O)NN=C(C)[C@@H](C)OC 1333245708 RRLKZVMHSDFCIJ-ZCFIWIBFSA-N 202.210 -0.314 50 20 BBGD CO[C@H](C(=O)O)C(=O)NNc1ncccn1 1574104951 MCJZZALIAVDBNH-YFKPBYRVSA-N 226.192 -0.981 50 20 BBGD C[C@@H](CC(=O)O)C(=O)NN(C)C(N)=O 1609732056 YLPBFIWBAJTHKG-BYPYZUCNSA-N 203.198 -0.861 50 20 BBGD CC[C@H](NNC(=O)[C@@H]1CCO[C@@H]1C)C(=O)O 1609931849 MPAHBQAFNZKYBG-PRJMDXOYSA-N 230.264 -0.105 50 20 BBGD Cc1ccc(C(=O)NNC(=O)CN(C)C)cn1 75653808 YVJADCYWMAFUHB-UHFFFAOYSA-N 236.275 -0.287 50 20 BBGD Cc1ccoc1C(=O)NNC(=O)CN(C)C 113426902 LRCUQVBWZQTPEB-UHFFFAOYSA-N 225.248 -0.089 50 20 BBGD C[C@@]1(C(=O)NNc2ncccn2)CCNC1 151495600 CRFSFJJGERSEEK-SNVBAGLBSA-N 221.264 -0.081 50 20 BBGD C[C@H](Cl)C(=O)N1CC[C@@H]2C(=O)NC(=O)[C@H]2C1 409430385 VMYRISMBEINIKO-ACZMJKKPSA-N 244.678 -0.265 50 20 BBGD C#CCNC(=O)NNC(=O)CC(F)(F)F 490557211 ZFUGJTFZJPMUFU-UHFFFAOYSA-N 223.154 -0.098 50 20 BBGD COC(=O)NNC(=O)Cn1ccccc1=O 490637024 XFVXQYJITOCQJP-UHFFFAOYSA-N 225.204 -0.765 50 20 BBGD CC#CCCNC(=O)c1cccc(B(O)O)c1 584972411 WGMCSTNZACTNHV-UHFFFAOYSA-N 231.060 -0.490 50 20 BBGD O=C(NCB(O)O)c1ccc(C2CC2)cn1 585061362 QOTQENPSFKJIHV-UHFFFAOYSA-N 220.037 -0.299 50 20 BBGD CNC(=O)NNC(=O)c1ccc2nccn2c1 731616340 BPFNDRXJFJFKEA-UHFFFAOYSA-N 233.231 -0.092 50 20 BBGD CC(C)C(=O)NNC(=O)[C@H](O)c1cccnc1 732259707 IMEODKOSMLZAQD-SECBINFHSA-N 237.259 -0.082 50 20 BBGD Cn1cnc(C(=O)NNC(=O)Cc2cc[nH]n2)c1 755268297 HCNFFMRMLIYLIZ-UHFFFAOYSA-N 248.246 -0.853 50 20 BBGD Cc1cc(C(=O)NNC(=O)C2CC2)ncn1 758052428 CFMNDMPBIRFHKE-UHFFFAOYSA-N 220.232 -0.044 50 20 BBGD C[C@H]1CC(=NNC(=O)C(C)(C)O)CN1C 785461811 YIVNIXSLUPUDQZ-ZETCQYMHSA-N 213.281 -0.047 50 20 BBGD CN1CCN(C(=O)NNC(=O)CC2CC2)CC1 807381719 GAZPSWKHUXTQRY-UHFFFAOYSA-N 240.307 -0.225 50 20 BBGD CC(C[C@@H]1CCC(=O)N1)=NNC(=O)CN(C)C 811640855 CIVYCFATDKJMGG-VIFPVBQESA-N 240.307 -0.291 50 20 BBGD CC(C)NC(=O)NNC(=O)[C@@H](O)C(C)C 813427203 CZZYGRHNUBVFGK-ZETCQYMHSA-N 217.269 -0.258 50 20 BBGD Cc1c[nH]nc1C=NNC(=O)CN(C)C 814832735 VSGGHITZFIGFJY-UHFFFAOYSA-N 209.253 -0.270 50 20 BBGD COc1ccnc(C(=O)NNc2nc[nH]n2)c1 816632970 HNYBFEJPHNHYPO-UHFFFAOYSA-N 234.219 -0.035 50 20 BBGD CNC(=O)NNC(=O)Cc1cnccc1C 823424913 HPDOHSOCNVTJFM-UHFFFAOYSA-N 222.248 -0.107 50 20 BBGD COCCCN(CCO)S(=O)(=O)CCl 831200574 IPVRPINXWDEWNP-UHFFFAOYSA-N 245.728 -0.157 50 20 BBGD NC(=O)[C@@H]1CC[C@H]1C(=O)NN=c1cc[nH]cc1 847690706 MWBCQQLXFNHBCE-RKDXNWHRSA-N 234.259 -0.542 50 20 BBGD C=CCNC(=S)NNC(=O)[C@@H]1CC(C)=NO1 854185850 MSVACWRQDDXHIZ-ZETCQYMHSA-N 242.304 -0.168 50 20 BBGD CNC(=S)N(C)NC(=O)c1nccnc1C 854927940 UTXFTKRBKXCITG-UHFFFAOYSA-N 239.304 -0.134 50 20 BBGD CC(C)[C@@](C)(O)C(=O)NNC(=O)c1cc[nH]n1 855356228 JHSTXJKGFRRKLF-SNVBAGLBSA-N 240.263 -0.422 50 20 BBGD CCO[C@@H]1C[C@H]1C(=O)NNC(=O)c1cn[nH]c1 862475068 XWTVHQVVXQWTPL-HTQZYQBOSA-N 238.247 -0.404 50 20 BBGD COC(=O)NNC(=O)Cn1nccc1C 863854553 RXLMXWIUQVXVMP-UHFFFAOYSA-N 212.209 -0.421 50 20 BBGD CC(C)C(=O)NNC(=O)[C@@H]1COCCO1 915052031 DQEGSIMCAYFJLY-ZETCQYMHSA-N 216.237 -0.795 50 20 BBGD CNC(=O)NNC(=O)c1ccnc(N(C)C)c1 919879484 HTEMETNIYDGSHR-UHFFFAOYSA-N 237.263 -0.279 50 20 BBGD Cn1cncc1C=NNC(=O)C(=O)NC1CC1 1116378264 GCFXYMQZTXZFNS-UHFFFAOYSA-N 235.247 -0.851 50 20 BBGD C[C@@H](C(=O)NNC(=O)NC1CC1)n1cncn1 1253930540 QDMUZWQHFODAPR-LURJTMIESA-N 238.251 -0.668 50 20 BBGD CC(=O)NNC(=O)[C@H]1CCc2cncn2C1 1350444281 WJYDKGWIZRSVBQ-QMMMGPOBSA-N 222.248 -0.387 50 20 BBGD CCOC(=O)NNC(=O)[C@]1(F)CCOC1 496043315 OLIVASYKEYPSQN-QMMMGPOBSA-N 220.200 -0.108 50 20 BBGD O=C(NCB(O)O)[C@H]1CCOc2ccccc21 585061866 KJVBXBMGRDFSEG-VIFPVBQESA-N 235.048 -0.319 50 20 BBGD CCCOCC(=O)NNc1nnc(C)c(O)n1 748833811 DFMHWPCJCHRGRV-UHFFFAOYSA-N 241.251 -0.245 50 20 BBGD CN1CCC(=NNC(=O)Cc2cccnc2)C1=O 761807504 REUMCAMYZJWOLR-UHFFFAOYSA-N 246.270 -0.042 50 20 BBGD Cc1cc(C(=O)NN(C)[C@H](C)CO)n(C)n1 823970393 GMKUIOORXZJURX-MRVPVSSYSA-N 226.280 -0.314 50 20 BBGD C[C@H](CO)N(C)NC(=O)/C=C\c1cnn(C)c1 823983520 VZMCBQYCGXRFQV-XRVBUDJMSA-N 238.291 -0.223 50 20 BBGD Cc1ccnn1CC(=O)NN(C)C(N)=O 860516818 OENJQCCKABKRTE-UHFFFAOYSA-N 211.225 -0.767 50 20 BBGD COCCN(C)NC(=O)[C@H](C)[C@@H]1CCC(=O)N1 861656982 HWRGYPVHGCENTD-BDAKNGLRSA-N 243.307 -0.490 50 20 BBGD CC[C@@H](C)CC(=O)NNC(=O)[C@H]1CCC(=O)N1 862458250 BGZCIAGEDGOPTF-HTQZYQBOSA-N 241.291 -0.151 50 20 BBGD Cc1cc(=NNC(=O)CCC(N)=O)cc[nH]1 912981744 OVFJEZKGUGZTIH-UHFFFAOYSA-N 222.248 -0.479 50 20 BBGD CNC(=S)N(C)NC(=O)c1[nH]nnc1C 1118770535 OIBSKJHEWWUUCZ-UHFFFAOYSA-N 228.281 -0.806 50 20 BBGD O=C(NNc1cccnn1)c1cc[nH]n1 1254591460 SDQKXFOEFSNRRB-UHFFFAOYSA-N 204.193 -0.043 50 20 BBGD CNC(=O)NNC(=O)c1ncc2n1CCCC2 1330303876 IJSLYORQXKIHPR-UHFFFAOYSA-N 237.263 -0.207 50 20 BBGD CN(NC(=O)c1cnccc1C#N)C(N)=O 1343725207 KUQJZKXGNRGPLG-UHFFFAOYSA-N 219.204 -0.391 50 20 BBGD C[C@H](CO)N(C)NC(=O)c1cc(N)ccn1 1347193388 APUJSOXJRPKLEH-SSDOTTSWSA-N 224.264 -0.379 50 20 BBGD COC(=O)N(C)NC(=O)c1c(CN)cnn1C 1578822656 HGCLCCSZFNUPBX-UHFFFAOYSA-N 241.251 -0.778 50 20 BBGD CC(=O)NNC(=O)c1ccoc1CC(=O)O 1589150654 ZKSRCKVJWADRME-UHFFFAOYSA-N 226.188 -0.312 50 20 BBGD CO[C@H](C(=O)O)C(=O)NN=c1cc[nH]cc1 1593910787 AKXUXMDUBXODCA-ZETCQYMHSA-N 225.204 -0.954 50 20 BBGD O=C(CN1CCOCC1)NNc1ccncc1 272541962 PEPPBOLMVTYDOF-UHFFFAOYSA-N 236.275 -0.143 50 20 BBGD CO[C@H](C)C(=O)NNC(=O)NC(C)C 299308156 RDGNVWPRGJJZSN-ZCFIWIBFSA-N 203.242 -0.240 50 20 BBGD CCOC(=O)NNC(=O)[C@H](C)NC(=O)OC 494124121 MRVYGYVYELRKQK-YFKPBYRVSA-N 233.224 -0.492 50 20 BBGD OB(O)c1ccc(CNCC23CC(CO2)C3)cc1 585049242 MKLWBWADORTWNX-UHFFFAOYSA-N 247.103 -0.365 50 20 BBGD COc1cc(CC(=O)NCB(O)O)ccc1C 585061423 XDZXALXUIKDFQG-UHFFFAOYSA-N 237.064 -0.326 50 20 BBGD O=C(CNC(=O)C1CC1)NNC(=O)C1CCC1 732142209 RMEWJZFDVJZSAA-UHFFFAOYSA-N 239.275 -0.540 50 20 BBGD CC(=O)NNC(=O)COC[C@H]1CCCO1 746386190 OCWRISLSZZNZRU-MRVPVSSYSA-N 216.237 -0.651 50 20 BBGD Cc1ccc(C(=O)NNC(=O)Cn2cncn2)o1 752781499 ZSMZKJNHKHNMNZ-UHFFFAOYSA-N 249.230 -0.359 50 20 BBGD COC[C@@](C)(O)C(=O)NNc1cccnn1 753090656 UIYMHHHQGHHYRU-SECBINFHSA-N 226.236 -0.683 50 20 BBGD CCOC(=O)NNC(=O)[C@H]1CCC(=O)N1C 771607553 BWALBILLJGPDNE-ZCFIWIBFSA-N 229.236 -0.616 50 20 BBGD COCC(=O)NNc1ncncc1F 817081473 CVPIUMWYCYIMQC-UHFFFAOYSA-N 200.173 -0.295 50 20 BBGD CCN(CCO)NC(=O)CN1CCSC1=O 823837897 ICQIMYIQXWYYHH-UHFFFAOYSA-N 247.320 -0.499 50 20 BBGD C[C@]1(CNC(=O)C(N)=O)C[C@@H]1Br 824805535 UGKHARDRPRKMDD-MHTLYPKNSA-N 235.081 -0.239 50 20 BBGD C#C[C@](C)(CC)NCC(=O)NNC(=O)C1CC1 852102424 XWUIWUKHKAQHMI-GFCCVEGCSA-N 237.303 -0.065 50 20 BBGD COCCCOCCC(=O)NNC(=O)C1CC1 854179979 FPWWMKCTQYUALQ-UHFFFAOYSA-N 244.291 -0.013 50 20 BBGD CC(=O)CCC(=O)NNC(=O)c1cc[nH]n1 855363218 ZZMPUQKMAUETTD-UHFFFAOYSA-N 224.220 -0.460 50 20 BBGD C[C@H]1CN(C)CC1=NNC(=O)CS(C)(=O)=O 863187375 JHNJEVHPHTYLQR-ZETCQYMHSA-N 247.320 -0.915 50 20 BBGD Cn1cc(C(=O)NNC(=O)C2CSC2)cn1 865937247 XWWRZNKKBKYVAK-UHFFFAOYSA-N 240.288 -0.456 50 20 BBGD C[C@H](O)CN(C)NC(=O)c1cn(C)cn1 910166761 PHHHXLOOBGOSLT-ZETCQYMHSA-N 212.253 -0.623 50 20 BBGD CCN(CCO)NC(=O)[C@]1(OC)CCSC1 911441126 WKLYNLMLNOEFDZ-JTQLQIEISA-N 248.348 -0.146 50 20 BBGD CC(C)NC(=O)C(=O)NNC(=O)[C@@H]1CC1(F)F 1118776994 SHXMTHQTRVHZEJ-YFKPBYRVSA-N 249.217 -0.686 50 20 BBGD CCOC(=O)N1CSC[C@@H]1C(=O)NN 1121930319 CSUAQHJCUWYBHW-RXMQYKEDSA-N 219.266 -0.492 50 20 BBGD COCC#CC(=O)NNC(=S)NC(C)(C)C 1262153642 JNYDZERDQISSHP-UHFFFAOYSA-N 243.332 -0.070 50 20 BBGD COC(=O)NNS(=O)(=O)c1cn(C)c(C)n1 1322368038 XWQZRFLCGHPIHJ-UHFFFAOYSA-N 248.264 -0.722 50 20 BBGD CN1CC[C@H](C(=O)NNc2cccnn2)C1 1323745141 UAYAEMLXVBZUKO-QMMMGPOBSA-N 221.264 -0.129 50 20 BBGD C[C@H](NC(N)=O)C(=O)NN(C)C1CC1 1329153500 YAHLTEWNPFYSFV-YFKPBYRVSA-N 200.242 -0.831 50 20 BBGD C[C@H](O)CN(C)NC(=O)[C@H]1CC[C@@H](C(=O)O)C1 1573637221 ZWXWGCZCMZEWAX-XHNCKOQMSA-N 244.291 -0.169 50 20 BBGD CC(C)[C@@H](C(=O)O)C(=O)NNc1nc[nH]n1 1588807642 DGJHRMQFMVGYHQ-RXMQYKEDSA-N 227.224 -0.395 50 20 BBGD C[C@H]1CC[C@H](NC(=O)NNC(=O)C(=O)O)CC1 1599908566 DXNQBEHURNJNKV-LJGSYFOKSA-N 243.263 -0.020 50 20 BBGD C[C@H]1CC[C@@H](C(=O)NNC(=O)[C@H](C)C(=O)O)O1 1602804244 FGQJGWFOVVQVSH-ACZMJKKPSA-N 244.247 -0.578 50 20 BBGD CC1(NC(=S)NNC(=O)C(=O)O)CC1 1604591652 JYDYAKSNBSNYOA-UHFFFAOYSA-N 217.250 -0.881 50 20 BBGD Cc1c(C(=O)NNC(=O)NC2CC2)cnn1C 49150766 QHTKUPUBGPCGGR-UHFFFAOYSA-N 237.263 -0.165 50 20 BBGD CC(C)(C)[C@]1(C(N)=O)C=C(B(O)O)C=NC1 232321485 HOIJINXRQOWZJY-SNVBAGLBSA-N 224.069 -0.473 50 20 BBGD O=C(Nc1cccc(B(O)O)c1)[C@@H]1[C@H]2COC[C@H]21 405026560 LMWIHJQYTNCTII-URLYPYJESA-N 247.059 -0.803 50 20 BBGD COC(=O)NNC(=O)c1ccc([N+](=O)[O-])n1C 490556375 PJQAOIGIZIDFQO-UHFFFAOYSA-N 242.191 -0.066 50 20 BBGD COC(=O)NCC(=O)NNc1cc(C)ncn1 491548516 IFLHDNAZPTYBFB-UHFFFAOYSA-N 239.235 -0.416 50 20 BBGD COC(=O)N(C)NC(=O)[C@H]1CC[C@@H]1C(N)=O 496233253 BMNPRAQXZRWSSV-WDSKDSINSA-N 229.236 -0.773 50 20 BBGD O=C(O)c1cc2cccc(B(O)O)c2cn1 725328553 YGKYZOQBVKSCSA-UHFFFAOYSA-N 216.989 -0.387 50 20 BBGD CC(C)OCC(=O)NNC(=O)N1CCOCC1 745996194 QKJFXPUGPSFNPL-UHFFFAOYSA-N 245.279 -0.516 50 20 BBGD Cc1c[nH]nc1C(=O)NNC(=O)c1c[nH]nc1C 799618829 RFIBCRCKFZCEBQ-UHFFFAOYSA-N 248.246 -0.176 50 20 BBGD CN(NC(=O)[C@@](C)(O)C1CCC1)C(N)=O 813506326 FNXAXEZWZQKPTE-VIFPVBQESA-N 215.253 -0.421 50 20 BBGD COC[C@](C)(O)C(=O)NNC(=O)CC1CC1 819123182 STGQDXMAXIPAAJ-JTQLQIEISA-N 230.264 -0.669 50 20 BBGD Cc1cccc(NNC(=O)[C@@H]2CCNC2=O)n1 862519333 BEIWYBIWGRDHII-MRVPVSSYSA-N 234.259 -0.031 50 20 BBGD O=C1CC[C@H](C(=O)NN=Cc2ccccn2)N1 863145420 BUCCRFORZUQXKI-SECBINFHSA-N 232.243 -0.190 50 20 BBGD C=C1CCC(C(=O)NNC(=O)CO)CC1 897312720 LHSCFUOYOVESDN-UHFFFAOYSA-N 212.249 -0.128 50 20 BBGD C[C@H](O)CN(C)NC(=O)CN1CCCC1 910155620 ODWLPERGXPAFHH-VIFPVBQESA-N 215.297 -0.574 50 20 BBGD CCc1n[nH]cc1C(=O)NN(C)C[C@H](C)O 910170286 JDARQOGHEQFTDW-ZETCQYMHSA-N 226.280 -0.071 50 20 BBGD CNC(=O)NNC(=O)c1nc(C)oc1C 1261234039 QZLOFBZNXGWDRI-UHFFFAOYSA-N 212.209 -0.135 50 20 BBGD C=C[C@@H](COC)NC(=O)NNC(=O)COCC 1320439688 PJSVVITUXXGUAI-QMMMGPOBSA-N 245.279 -0.446 50 20 BBGD O=C1CC[C@@H](C(=O)NN=CC[C@@H]2CCOC2)N1 1329192126 SOXBONFNUBRPSQ-BDAKNGLRSA-N 239.275 -0.206 50 20 BBGD C[C@H](CO)N(C)NC(=O)CSCC#N 1329862669 QOKRUCFKJNVTKD-SSDOTTSWSA-N 217.294 -0.413 50 20 BBGD CCCNC(=O)NNC(=O)c1cccnn1 1331556469 UTLFOGDGCKVMOM-UHFFFAOYSA-N 223.236 -0.169 50 20 BBGD CCNC(=O)N(C)NC(=O)C1(NC)CCC1 1341831876 USNDUTUWBQTLFT-UHFFFAOYSA-N 228.296 -0.179 50 20 BBGD COC(=O)C(=O)NNC(=O)NCCC(F)F 1528194366 DANHNNDKPZNFEH-UHFFFAOYSA-N 239.178 -0.855 50 20 BBGD CN(NC(=O)c1nccs1)C(N)=O 306364822 BISICWWVCDTDHD-UHFFFAOYSA-N 200.223 -0.202 50 20 BBGD O=C(CCl)NCCN1C(=O)CCC1=O 405395003 SGQFRPRCIDSPHE-UHFFFAOYSA-N 218.640 -0.510 50 20 BBGD OB(O)c1ccc(CNC[C@H](O)C2CCC2)o1 585044602 NXYRGFHPLPVFJX-JTQLQIEISA-N 239.080 -0.790 50 20 BBGD CN([C@@H]1COC[C@H]1O)S(=O)(=O)CCl 709314904 CUUQOJHTRXHFPW-PHDIDXHHSA-N 229.685 -0.796 50 20 BBGD COc1ccnc(NNC(=O)c2ccn(C)n2)n1 727371044 YONWMAOIUDOTLK-UHFFFAOYSA-N 248.246 -0.024 50 20 BBGD CCC[C@H](O)CC(=O)NNC(=O)NCC 750261172 IKAAEYRLUUKFBW-ZETCQYMHSA-N 217.269 -0.112 50 20 BBGD COCCNC(=O)NNC(=O)[C@@H]1CCCCO1 772686457 DEHQWMKYOWNELG-QMMMGPOBSA-N 245.279 -0.468 50 20 BBGD CCCNC(=O)NNC(=O)COCCCOC 775676753 KLQFEGGXGLRYAJ-UHFFFAOYSA-N 247.295 -0.220 50 20 BBGD C[C@H](CO)N(C)NC(=O)c1ccc(C#N)n1C 823917277 GSIOTYZSKLQEOO-MRVPVSSYSA-N 236.275 -0.146 50 20 BBGD Cc1nnsc1C(=O)NN(C)[C@H](C)CO 823982762 DDVLXTDPOTYZBW-RXMQYKEDSA-N 230.293 -0.196 50 20 BBGD C=C[C@@H](O)C(=O)NNC(=O)NC1CCCC1 824343391 XKFAONOVULVXLD-MRVPVSSYSA-N 227.264 -0.194 50 20 BBGD Cc1cc(NNC(=O)[C@@H](C)N(C)C)nc(N)n1 828376423 MTJAIYILORHYBN-SSDOTTSWSA-N 238.295 -0.240 50 20 BBGD Cc1ncc(C(=O)NNC(=O)C2CC2)c(N)n1 854181283 YXBRCNQZJVGYRZ-UHFFFAOYSA-N 235.247 -0.462 50 20 BBGD COC(=O)N(C)NC(=O)C[C@@H]1CCC(=O)N1C 854410091 SNMQSZAMYNWVDB-ZETCQYMHSA-N 243.263 -0.273 50 20 BBGD C=C[C@](C)(O)C(=O)NNC(=O)CC1CC1 854666888 AXKRLYJTNWGBKT-JTQLQIEISA-N 212.249 -0.129 50 20 BBGD C=CC(=O)N(CC)CC(=O)NN(C)CCOC 908114943 MFRZCTABKYVSKX-UHFFFAOYSA-N 243.307 -0.370 50 20 BBGD CCO[C@H](C)C(=O)NN(C)C[C@@H](C)O 910170331 KDNXLOZEMAMFLH-HTQZYQBOSA-N 204.270 -0.245 50 20 BBGD CCNC(=O)NNC(=O)/C=C\c1cnn(C)c1 920858238 UIUXCOMWCGVXQS-PLNGDYQASA-N 237.263 -0.216 50 20 BBGD CCOC(=O)NNC(=O)c1cccc(=O)n1C 1320344555 MCWLSGGQJVQLOB-UHFFFAOYSA-N 239.231 -0.224 50 20 BBGD CNC(=O)NNC(=O)[C@@H]1CCC(=O)[C@H](C)C1 1323198613 ZTDQQHIKDUATHU-RNFRBKRXSA-N 227.264 -0.048 50 20 BBGD Cc1nc(CC(=O)NNc2ncccn2)n[nH]1 1329035493 FJSFPZWGSXGLSA-UHFFFAOYSA-N 233.235 -0.411 50 20 BBGD CC(=NNC(=O)CS(C)(=O)=O)c1cnc[nH]1 1331820221 GKWULLJNBIRLPT-UHFFFAOYSA-N 244.276 -0.706 50 20 BBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)CC1COC1 1335028197 AWAVDCRKSAYTMD-APPZFPTMSA-N 242.275 -0.405 50 20 BBGD CCNCC(=O)NNC(=O)c1cccc(C)n1 1574076572 QSMKTBATKNZJAT-UHFFFAOYSA-N 236.275 -0.239 50 20 BBGD C[C@H](O)CN(C)NC(=O)C[C@H](C)CC(=O)O 1593457362 RTOXKIWUDQKBTO-YUMQZZPRSA-N 232.280 -0.169 50 20 BBGD COC[C@H](C)NC(=S)NNC(=O)C1CC1 16184942 FJEUJNUGPSAYAX-LURJTMIESA-N 231.321 -0.073 50 20 BBGD CC(=O)N[C@H](C)C(=O)NNC(=O)c1ccccc1 72508323 JFHZUKGDEJVTTA-MRVPVSSYSA-N 249.270 -0.028 50 20 BBGD C[C@@H]1COCCN1CC(=O)NNC(=O)C1CC1 112976766 JJQFRKWIYOQYTG-MRVPVSSYSA-N 241.291 -0.736 50 20 BBGD CCc1ccc(CC(=O)NNC(=O)CO)cc1 182773284 HUMBTPAUNFIAJH-UHFFFAOYSA-N 236.271 -0.069 50 20 BBGD CCc1ccccc1CC(=O)NNC(=O)CO 188767938 IREMWTGIRHWBBR-UHFFFAOYSA-N 236.271 -0.069 50 20 BBGD Cc1cc(C)nc(NNC(=O)[C@@H](C)N)n1 195124971 YZXATGFKKGNXPY-SSDOTTSWSA-N 209.253 -0.116 50 20 BBGD CNC(=O)NNC(=O)CCCN(C)C(=O)OC 264259553 PAYATSWBBCKZRA-UHFFFAOYSA-N 246.267 -0.575 50 20 BBGD O=C1CC(C(=O)NNC(=O)[C@@H]2CCCO2)C1 294766528 XSQBOZYMJWIEBM-QMMMGPOBSA-N 226.232 -0.708 50 20 BBGD C[C@@H](O)C[C@@H](C)NCc1ccc(B(O)O)cc1 585035090 OYWRXZFJYSRJBT-NXEZZACHSA-N 237.108 -0.385 50 20 BBGD C/C=C/C[C@H](CO)NCc1ccc(B(O)O)cc1 585037073 UQTAZGRXVVNULK-YWVDXFKGSA-N 249.119 -0.217 50 20 BBGD CC(C)c1cc(C(=O)NCB(O)O)no1 585062070 CKARLOHHZQVZDY-UHFFFAOYSA-N 212.014 -0.460 50 20 BBGD CN(C)CCNC(=S)NNC(=O)C1CCC1 731944527 NWNMBMMKFDUAAN-UHFFFAOYSA-N 244.364 -0.157 50 20 BBGD CO[C@H](C)C(=O)NNC(=O)N1CCOCC1 745996453 YGISBFYPFHSYTC-SSDOTTSWSA-N 231.252 -0.906 50 20 BBGD C#CCNC(=S)NNC(=O)Cc1cccnc1 758230152 PKSBBGUQTKXBKX-UHFFFAOYSA-N 248.311 -0.247 50 20 BBGD CC(C)(C)C(=O)NNC(=O)c1nc(=N)cc[nH]1 787921773 HEJMAQFJEIPVCQ-UHFFFAOYSA-N 237.263 -0.304 50 20 BBGD CCC(=O)NNS(=O)(=O)c1cnn(C)c1C 793351817 ZZNILABJDWIFOV-UHFFFAOYSA-N 246.292 -0.552 50 20 BBGD CCNC(=O)NN=C1COCCOC1 814817923 ZREOPHKWWKMCFD-UHFFFAOYSA-N 201.226 -0.292 50 20 BBGD Cc1c[nH]nc1C=NNC(=O)C(=O)N1CCCC1 814824611 DBEBYHZBHPIMNK-UHFFFAOYSA-N 249.274 -0.209 50 20 BBGD CNC(=S)N(C)NC(=O)C1(CN(C)C)CC1 823551756 CAAZEKCKSYAFHI-UHFFFAOYSA-N 244.364 -0.205 50 20 BBGD CCN(CCO)NC(=O)c1cncnc1 823873622 FGDNVFVZWFJVCN-UHFFFAOYSA-N 210.237 -0.564 50 20 BBGD O=C(CO)NNC(=O)[C@@H]1CC2CCC1CC2 827894138 KYMBYLMFZGEXPN-AMDVSUOASA-N 226.276 -0.048 50 20 BBGD CCNC(=O)N(C)NC(=O)[C@H](N)CC 831945852 XFKDQMYWBJIGHX-ZCFIWIBFSA-N 202.258 -0.584 50 20 BBGD COC[C@@H](OC)C(=O)NNC(=O)C1CC1 854181247 XMBOQKNQFZOJOX-SSDOTTSWSA-N 216.237 -0.795 50 20 BBGD O=C(NNC(=O)[C@@H](O)C1CC1)[C@@H]1CCCCO1 854684196 ZMUQWVDGHDFZAI-IUCAKERBSA-N 242.275 -0.526 50 20 BBGD O=C(NN=c1cc[nH]cc1)[C@]1(O)CCOC1 857482659 GDYPKYMHCAYXOM-JTQLQIEISA-N 223.232 -0.902 50 20 BBGD C=CC(=O)N(C)CC(=O)NNC(=O)C1CC1 858121323 BRPMGLQAOLYNSJ-UHFFFAOYSA-N 225.248 -0.812 50 20 BBGD COC(=O)N(C)NC(=O)Cn1nccc1C 861656764 YMNLNNIUYWATBO-UHFFFAOYSA-N 226.236 -0.079 50 20 BBGD CC(C)[C@H](C)C(=O)NNC(=O)[C@H]1CCC(=O)N1 862453865 AGTPYMBWMRDDAN-JGVFFNPUSA-N 241.291 -0.296 50 20 BBGD CCNC(=O)NNC(=O)c1cc(CC)nn1C 874194480 RTTBFCBJNOOWFY-UHFFFAOYSA-N 239.279 -0.054 50 20 BBGD CN1C(=O)CCC[C@H]1C(=O)NNC(=O)C1CC1 905090534 VYEMTMOEVXIJSE-QMMMGPOBSA-N 239.275 -0.445 50 20 BBGD CCC(=O)NNC(=S)NC1CCN(C)CC1 920306959 GLEUMUZTEWWYDW-UHFFFAOYSA-N 244.364 -0.014 50 20 BBGD Cc1c(C(=O)NNC(=O)C2CC2)nnn1C 1116122280 YRSYGOIPYYXCJY-UHFFFAOYSA-N 223.236 -0.705 50 20 BBGD COc1ccnc(NNC(=O)c2cnn[nH]2)n1 1317941690 AVEULDHZLAXEBW-UHFFFAOYSA-N 235.207 -0.640 50 20 BBGD Cc1nonc1C(=O)NNC(=O)N(C)C 1318856864 VXEKXYPVXIXWHT-UHFFFAOYSA-N 213.197 -0.706 50 20 BBGD N#Cc1ccc(C=NNC(=O)[C@@H]2CCC(=O)N2)o1 1330141978 HTNFMMADZSGEBT-VIFPVBQESA-N 246.226 -0.120 50 20 BBGD Cc1nnc2ccc(C(=O)NN(C)C(N)=O)cn12 1341604782 XPBKFOVRNGMQKH-UHFFFAOYSA-N 248.246 -0.307 50 20 BBGD O=C(NNC(=O)C(=O)O)NC1CCSCC1 1601552729 FZUYVCOQLWYDAB-UHFFFAOYSA-N 247.276 -0.703 50 20 BBGD O=C(O)CCC(=O)NNC(=O)[C@H]1CCCCO1 1611416635 QMQMPSYJZXQGCC-SSDOTTSWSA-N 244.247 -0.432 50 20 BBGD NC(=O)NN=Cc1ccc(C(=O)O)nc1 1776032912 FDBYECUZSWNDHO-UHFFFAOYSA-N 208.177 -0.218 50 20 BBGD CCNC(=O)NN[C@@]1(C)CCS(=O)(=O)C1 46906128 WNULPKDLIWLXLS-QMMMGPOBSA-N 235.309 -0.613 50 20 BBGD COCOc1cccc(OCOC)c1B(O)O 197009282 OJYISLYYEANAOI-UHFFFAOYSA-N 242.036 -0.668 50 20 BBGD COC(=O)[C@@H]1CC[C@@H]1C(=O)NN(C)C(=O)OC 286549736 ZDSBHTLELIDILJ-NKWVEPMBSA-N 244.247 -0.085 50 20 BBGD C#C[C@H](C)N(C)CC(=O)NNC(=O)C(C)C 491295814 IVJBMMMANHWXMX-VIFPVBQESA-N 225.292 -0.257 50 20 BBGD C[C@@H](CF)NCc1ccc(B(O)O)cc1 585041939 XLLDRRQCGCRMDL-QMMMGPOBSA-N 211.045 -0.186 50 20 BBGD Cc1cc(C(=O)NCB(O)O)c2c(C)n[nH]c2n1 585061445 SHVDAMBHDQIQGM-UHFFFAOYSA-N 248.051 -0.683 50 20 BBGD C#Cc1ccc(C=NNC(=O)C(N)=O)cc1 792631890 ODFBLVPGLOJREZ-UHFFFAOYSA-N 215.212 -0.397 50 20 BBGD Cn1nncc1C(=O)NNC(=O)c1ccncc1 798819768 JDHGLGCTYMMJAV-UHFFFAOYSA-N 246.230 -0.715 50 20 BBGD C[C@H](CO)N(C)NC(=O)c1cc(C#N)c[nH]1 823952128 OUTNKPBTIIXEQJ-SSDOTTSWSA-N 222.248 -0.156 50 20 BBGD CCNC(=O)NNC(=O)Cc1cc(C)no1 845298657 BXSKEZRXUHJXMM-UHFFFAOYSA-N 226.236 -0.124 50 20 BBGD CC(C)(C)OC(=O)NNC(=O)[C@@H]1CC(=O)N1 854162718 SXFNGTJKQGQFOY-YFKPBYRVSA-N 229.236 -0.569 50 20 BBGD CC[C@H](NC(=O)NNC(=O)CO)C(F)F 881015185 VNSASDRVBUSSIL-BYPYZUCNSA-N 225.195 -0.647 50 20 BBGD Cn1nccc1C(=O)NNC(=O)Cc1cc[nH]n1 1320130136 IQIAGJWYFZNPIH-UHFFFAOYSA-N 248.246 -0.853 50 20 BBGD O=C1CC[C@@H](C(=O)NN=Cc2cccnc2)N1 1331723262 QVAWVMZZSUNNCP-VIFPVBQESA-N 232.243 -0.190 50 20 BBGD Cc1cnn(CC(=O)NNC(=O)NC2CC2)c1 49144794 MIWFVYDNMKXICO-UHFFFAOYSA-N 237.263 -0.316 50 20 BBGD COC(=O)[C@H]1C[C@H]1C(=O)NNC(=O)C1CCC1 264786628 RDSUNMROSHTHEG-SFYZADRCSA-N 240.259 -0.257 50 20 BBGD CCO/C=C(\C#N)C(=O)NC(C)(CO)CO 274901001 GHZJKTUMWUXIET-VMPITWQZSA-N 228.248 -0.710 50 20 BBGD C[C@@H](O)C(=O)NNC(=O)Cc1ccccc1F 294721127 VEFGIOIUHUQUQI-SSDOTTSWSA-N 240.234 -0.104 50 20 BBGD C[C@@H](CF)NC(=O)c1ccc(B(O)O)c(F)c1 584990473 XAOYDOKQMFRLOR-LURJTMIESA-N 243.018 -0.407 50 20 BBGD Cc1cnc(N2CC[C@@H](B(O)O)C2)nc1 585078419 DIQDFZGAWVHHNO-MRVPVSSYSA-N 207.042 -0.162 50 20 BBGD CCOCC(=O)NNC(=O)N[C@H]1CCOC1 752707198 VZXCJNPIMCEOOT-ZETCQYMHSA-N 231.252 -0.858 50 20 BBGD CCNC(=O)NNC(=O)c1c[nH]c(C#N)c1 778648456 BHSXNCWATHLJSB-UHFFFAOYSA-N 221.220 -0.150 50 20 BBGD CN(C)CC(=O)NNC(=O)[C@H]1CCCSC1 810333803 LINVQFIURRIMQX-QMMMGPOBSA-N 245.348 -0.161 50 20 BBGD CC(C)NC(=O)NNC(=O)C1(N(C)C)CC1 824404678 VHGMMJJKBHEICM-UHFFFAOYSA-N 228.296 -0.181 50 20 BBGD C#CCCNC(=O)NNC(=O)[C@@H]1CCO[C@H]1C 825994603 LHKXHJDQMNYQFK-DTWKUNHWSA-N 239.275 -0.235 50 20 BBGD CCNC(=O)N(C)NC(=O)C[C@@H]1CCC(=O)N1 831854101 NFWDIZFUMYUTCW-ZETCQYMHSA-N 242.279 -0.652 50 20 BBGD COC(=O)N(C)NC(=O)Cc1n[nH]c(C)n1 854408854 BASYOGJCVUKZLZ-UHFFFAOYSA-N 227.224 -0.615 50 20 BBGD CNC(=S)N(C)NC(=O)CCOCCOC 854926187 UAOJYPFBULISST-UHFFFAOYSA-N 249.336 -0.493 50 20 BBGD COC(=O)N(C)NC(=O)NCCC(=O)N(C)C 875101702 DDBQPPJADDXTNV-UHFFFAOYSA-N 246.267 -0.623 50 20 BBGD CCN(CCO)NC(=O)CCc1ncc[nH]1 1119048086 TWTDHMSMBJRPPF-UHFFFAOYSA-N 226.280 -0.312 50 20 BBGD CCCNC(=S)NNC(=O)C(=O)NC1CC1 1248437699 VEFIAKBOAXXSSK-UHFFFAOYSA-N 244.320 -0.830 50 20 BBGD C=CCn1cc(C(=O)NNC(=O)N(C)C)nn1 1261498368 CMWUMSKHNMDCMB-UHFFFAOYSA-N 238.251 -0.620 50 20 BBGD CNC(=O)NNC(=O)c1ccc2nc[nH]c2n1 1319842511 NWTOIBCPLLDFBD-UHFFFAOYSA-N 234.219 -0.468 50 20 BBGD O=C1CC[C@@H](C(=O)NN=C2CCn3ccnc32)N1 1329556726 KNRXLAPOSVUGEM-QMMMGPOBSA-N 247.258 -0.614 50 20 BBGD C[C@@H](O)CN(C)NC(=O)C[C@@H]1CCOC1 1332148567 MNSKKNFEADJOLE-BDAKNGLRSA-N 216.281 -0.243 50 20 BBGD O=C1CC[C@@H](C(=O)NN=Cc2cscn2)N1 1335347626 UHCAQWFSIVIDAU-ZETCQYMHSA-N 238.272 -0.128 50 20 BBGD COC(=O)C(=O)NNC(=S)NCC1CC1 1350005212 APRGUKYCACEGRS-UHFFFAOYSA-N 231.277 -0.935 50 20 BBGD Cn1nc(C(=O)OC(C)(C)C)cc1C(=O)NN 1579989874 SCJRBKPTMHNQLG-UHFFFAOYSA-N 240.263 -0.021 50 20 BBGD O=C(Cn1cnnn1)NCC(Cl)Cl 289122781 QWLRNEFDWXRXRF-UHFFFAOYSA-N 224.051 -0.407 50 20 BBGD N#C/C(=C\c1ccc(C(=O)O)[nH]1)S(N)(=O)=O 309716232 YYZVXDDRNSPUKT-ZZXKWVIFSA-N 241.228 -0.134 50 20 BBGD C[C@H](C(=O)NNc1ncccn1)[C@@H](C)N 390614222 GFBWEKKEPCUIGK-NKWVEPMBSA-N 209.253 -0.097 50 20 BBGD COC(=O)NNC(=S)NCCCN(C)C 490543325 USKXCIQSARSPCV-UHFFFAOYSA-N 234.325 -0.327 50 20 BBGD CC(C)n1cc(CN2CC[C@H](B(O)O)C2)nn1 585075914 KDYRTDJIVZQVNH-VIFPVBQESA-N 238.100 -0.092 50 20 BBGD CCC(=O)NNC(=O)[C@H](C)N1CCO[C@@H](C)C1 731849043 RPPWWPRTMVBCFB-IUCAKERBSA-N 243.307 -0.347 50 20 BBGD C[C@H]1CCN(CC(=O)NNC(=O)C2CC2)C1 733194785 NOJLLHOMNBVZNX-QMMMGPOBSA-N 225.292 -0.114 50 20 BBGD Cn1[nH]cnc1=NC(=O)NN=c1cc[nH]cc1 782059500 XGALNOCFUWZFNZ-UHFFFAOYSA-N 233.235 -0.798 50 20 BBGD CS(=O)(=O)[C@@H]1CCCC(=NNC(=O)CO)C1 788439427 SKSPAPQELHNKSY-MRVPVSSYSA-N 248.304 -0.562 50 20 BBGD COc1ccc(F)cc1C=NNC(=O)C(N)=O 812221659 FVFJXVYBHFMVQI-UHFFFAOYSA-N 239.206 -0.230 50 20 BBGD CCN(CCO)NC(=O)c1cn(C2CC2)nn1 823897877 LUMUGVYFUWFFGC-UHFFFAOYSA-N 239.279 -0.428 50 20 BBGD COCCCNC(=S)N(C)NC(=O)[C@H](C)O 854283443 WJHJPFCUFSKRFX-ZETCQYMHSA-N 249.336 -0.759 50 20 BBGD COCCN(C)NC(=O)c1cc(O)ncn1 861657073 LLISAIZJVBEGME-UHFFFAOYSA-N 226.236 -0.595 50 20 BBGD CC[C@@H](O)[C@@H](C)C(=O)NNC(=O)C(C)(C)O 907624711 CVVLYHAIVPMQFP-RNFRBKRXSA-N 232.280 -0.688 50 20 BBGD COC(=O)C(=O)NNC(=O)NCCC(C)(C)C 1116182036 QKQQBRAAWXWKHM-UHFFFAOYSA-N 245.279 -0.074 50 20 BBGD C/C=C/C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 1331922353 IFKYOZJRNXHVFQ-TYWZFMJISA-N 246.288 -0.855 50 20 BBGD CC(C)NC(=O)NNC(=O)[C@]1(C(=O)O)C[C@H]1C 1588925319 JJBVCTUAWPZLJM-LDWIPMOCSA-N 243.263 -0.164 50 20 BBGD C[C@@H](CO)N(C)NC(=O)CSCC(=O)O 1589073371 LUYOTAJPFHKAHE-LURJTMIESA-N 236.293 -0.852 50 20 BBGD O=C(O)CCC(=O)NN=c1cc[nH]cc1 1611416692 XNBOROMVQCWNSX-UHFFFAOYSA-N 209.205 -0.189 50 20 BBGD CCN1CCN(CCC(=O)NN)CC1 58851791 HQDXILSACZPHQR-UHFFFAOYSA-N 200.286 -0.996 50 20 BBGD N#Cc1c(F)cccc1C(=O)NNC(=O)CO 188586525 COJLBUSHIFNNGT-UHFFFAOYSA-N 237.190 -0.549 50 20 BBGD COC(=O)N(C)CC(=O)NNc1cccnn1 265585514 ZGGQQXZZQGVXGO-UHFFFAOYSA-N 239.235 -0.382 50 20 BBGD Cc1cc(C)nc(NNC(=O)[C@H](C)O)n1 276044823 HKMYXPHJZRXFRC-ZETCQYMHSA-N 210.237 -0.083 50 20 BBGD COCCN(C)NC(=O)c1cccc(=O)n1C 288448542 OVYRCSVRTILVPI-UHFFFAOYSA-N 239.275 -0.392 50 20 BBGD Cc1cc([N+](=O)[O-])cc(C(=O)NCB(O)O)n1 585062429 IQSDDDPDQCGHIL-UHFFFAOYSA-N 238.996 -0.960 50 20 BBGD CN1CCCC[C@H]1C(=O)N1CC[C@@H](B(O)O)C1 585068879 GOTIVBMQGOCESZ-ZJUUUORDSA-N 240.112 -0.454 50 20 BBGD Cc1cc(C)nc(NNC(=O)[C@@H]2CCC(=O)N2)n1 731867640 YGRZGROVOMJUHO-QMMMGPOBSA-N 249.274 -0.185 50 20 BBGD CCNC(=S)NNC(=O)COCCOC 733124069 QJMQGWXRWQQFSJ-UHFFFAOYSA-N 235.309 -0.835 50 20 BBGD CC1(C(=O)NNc2cnccn2)COC1 782854882 WCLUIFHRZSFIIH-UHFFFAOYSA-N 208.221 -0.044 50 20 BBGD CN(NC(=O)[C@H]1CCC[C@@H](C(N)=O)C1)C(N)=O 787199922 UEDQMJDXOVJZQS-RQJHMYQMSA-N 242.279 -0.680 50 20 BBGD C[C@H](CO)N(C)NC(=O)[C@@H]1C[C@]12CCOC2 823934054 ANWDQRGLQXELTM-YWVKMMECSA-N 228.292 -0.243 50 20 BBGD CCONC(=O)NNC(=O)[C@H]1CCO[C@H]1C 825559296 YNVXUXRFGGASHP-BQBZGAKWSA-N 231.252 -0.307 50 20 BBGD CCOC(=O)c1cc(C=NNC(=O)NC)[nH]n1 842525603 WONHBQCAPDBJKD-UHFFFAOYSA-N 239.235 -0.151 50 20 BBGD COC(=O)C[C@H](C)CC(=O)NNC(=O)N(C)C 847402866 MLXLGZYWOIVNHV-SSDOTTSWSA-N 245.279 -0.122 50 20 BBGD O=C(CO)NNC(=O)CCCc1cccnc1 857169376 HJPOHJHGWUXLCT-UHFFFAOYSA-N 237.259 -0.456 50 20 BBGD OB(O)c1ccccc1CNCCOCCF 863891871 FYGNBUBPOVFMLD-UHFFFAOYSA-N 241.071 -0.558 50 20 BBGD C[C@@H](O)CN(C)NC(=O)c1nccn2ccnc12 910144275 HAPXZXJHVJAZCL-MRVPVSSYSA-N 249.274 -0.313 50 20 BBGD O=C(CCCF)N1CC[C@@H](B(O)O)C1 1118916847 XQLDQMFMRNTADO-SSDOTTSWSA-N 203.022 -0.189 50 20 BBGD CN(C)C(=O)NNC(=O)C(=O)C(C)(C)C 1323408123 XJBQNCLZVPZWSW-UHFFFAOYSA-N 215.253 -0.096 50 20 BBGD CCOCCC(=O)N1CC[C@H](B(O)O)C1 1329215033 MLERCLPOICWAFM-QMMMGPOBSA-N 215.058 -0.512 50 20 BBGD COC(=O)[C@H]1C[C@@H](C(=O)NN(C)C[C@H](C)O)C1 1336523342 WNPFVOPZNZXNRS-XHNCKOQMSA-N 244.291 -0.471 50 20 BBGD Cc1nc(Cl)cc(NNC(=O)CON)n1 1579861488 VNVMHNDYOPHGAZ-UHFFFAOYSA-N 231.643 -0.228 50 20 BBGD CC(C)CC(=O)NNC(=O)NC[C@H](F)C(=O)O 1591111586 QPYWROLWDBBCAU-LURJTMIESA-N 249.242 -0.214 50 20 BBGD N#CC1=CCN(C(=O)COCC(=O)O)CC1 1594605906 LQSJREBWOYYYGP-UHFFFAOYSA-N 224.216 -0.230 50 20 BBGD C#CCn1ccnc1C=NNC(=O)NCC(=O)O 1602738410 ZMGQMHDSVQQMIY-UHFFFAOYSA-N 249.230 -0.766 50 20 BBGD CNC(=S)N(C)NC(=O)[C@@H]1CC[C@H]1C(=O)O 1604248972 CFZAZLBFPNGKTA-PHDIDXHHSA-N 245.304 -0.436 50 20 BBGD CO[C@@H](C)CCC(=O)NNC(=O)CN(C)C 180799542 ODOICJYVGOQHNN-QMMMGPOBSA-N 231.296 -0.490 50 20 BBGD CC(C)CCSCC(=O)NNC(=O)CO 182761007 UAMOQEOAXSFGIV-UHFFFAOYSA-N 234.321 -0.095 50 20 BBGD COCCCNC(=O)NNC(=O)C(F)F 278469523 QEEXDBJWADTPHM-UHFFFAOYSA-N 225.195 -0.382 50 20 BBGD CNc1nc(C)cc(C(=O)NNC(C)=O)n1 281286069 XLNFRRSKJNEXFO-UHFFFAOYSA-N 223.236 -0.392 50 20 BBGD CO[C@H](C(=O)NN(C)C(N)=O)C1CC1 281556354 LKKXHTDXCLXPLR-LURJTMIESA-N 201.226 -0.547 50 20 BBGD CCOC(=O)NNC(=O)CCCNC(=O)OC 491274822 XIXBXCTVFBGYED-UHFFFAOYSA-N 247.251 -0.100 50 20 BBGD COC(=O)N(C)NS(=O)(=O)CCCC#N 496343003 JUZOKBOORBUERU-UHFFFAOYSA-N 235.265 -0.177 50 20 BBGD CC1(C)[C@@H](O)C[C@@H]1NCc1ccccc1B(O)O 585036424 IZPYLMXBEZWLGL-RYUDHWBXSA-N 249.119 -0.385 50 20 BBGD CN(C)C(=O)NNC(=O)/C=C/c1cnn(C)c1 746003792 SORSARUHAWFLMH-SNAWJCMRSA-N 237.263 -0.264 50 20 BBGD CNC(=O)NNC(=O)c1ccc(C)c(O)c1O 770485893 AEZLWBFXPBJOLX-UHFFFAOYSA-N 239.231 -0.020 50 20 BBGD C#CCOCCNC(=O)NNC(=O)C(C)C 784548353 FBEFSWFKMGCIDH-UHFFFAOYSA-N 227.264 -0.377 50 20 BBGD CC(=O)NNC(=O)CC1CCN(C)CC1 813363001 AJXWLKCZIDRWJI-UHFFFAOYSA-N 213.281 -0.114 50 20 BBGD CNC(=O)NN=Cc1cc(C(=O)OC)no1 814814287 GCDMIULBJGDISA-UHFFFAOYSA-N 226.192 -0.276 50 20 BBGD COC(OC)C(=O)NNc1ncc(F)cn1 821377173 AEKRAUZAVMEDBZ-UHFFFAOYSA-N 230.199 -0.322 50 20 BBGD COC(OC)C(=O)NNC(=O)[C@@H]1CCCCO1 823237227 PNIKZGNCVDONJL-ZETCQYMHSA-N 246.263 -0.678 50 20 BBGD C=C[C@](C)(O)C(=O)NNC(=O)c1c[nH]nc1C 826753812 IYBYLBVFZLRVDV-JTQLQIEISA-N 238.247 -0.584 50 20 BBGD NC(=O)[C@H]1CC[C@H]1C(=O)NNC(=O)C1CCC1 847482384 LVSMOTKOSJSQJP-JGVFFNPUSA-N 239.275 -0.555 50 20 BBGD CC(C)(CO)C(=O)NNC(=O)[C@H]1CCCCO1 848157551 JIIUALRRYWKGFM-MRVPVSSYSA-N 244.291 -0.279 50 20 BBGD CNC(=S)N(C)NC(=O)[C@H](COC)OC 854929691 OPIWRIJNJXGOPH-LURJTMIESA-N 235.309 -0.885 50 20 BBGD C=CC(=O)N(C)CC(=O)NNC(=O)C(C)C 858143210 HDZGVSFQLUYIAH-UHFFFAOYSA-N 227.264 -0.566 50 20 BBGD CC[C@H](C)CC(=O)NNC(=O)[C@H]1CCC(=O)N1 862458251 BGZCIAGEDGOPTF-JGVFFNPUSA-N 241.291 -0.151 50 20 BBGD O=C1CC[C@H](C(=O)NN=C2CCn3cccc32)N1 863145361 NOLFKMMEDRJIMG-SECBINFHSA-N 246.270 -0.009 50 20 BBGD N[C@]1(C(=O)NNc2ncccn2)CC1(F)F 870863246 VXDCFYQWTOGRMN-ZETCQYMHSA-N 229.190 -0.344 50 20 BBGD C#CCCCC(=O)NNC(=O)[C@@H](C)NC(C)=O 887139597 WFDDFPMOJJIJHS-MRVPVSSYSA-N 239.275 -0.538 50 20 BBGD C=CC(=O)N(CC)CC(=O)NN(C)C[C@H](C)O 910154911 GVJKTRWRIFOACA-VIFPVBQESA-N 243.307 -0.635 50 20 BBGD Cc1cccc2nc(C(=O)NNC(=O)CO)cn12 1320075339 AAOBWLFCKZYTSO-UHFFFAOYSA-N 248.242 -0.604 50 20 BBGD CCn1nc(C(=O)NNC(=O)OC)ccc1=O 1320257949 GILNSPLABMZXGZ-UHFFFAOYSA-N 240.219 -0.736 50 20 BBGD O=C(CCO)NNC(=O)Nc1ccncn1 1322055151 MWQHSIGLFVEDLK-UHFFFAOYSA-N 225.208 -0.988 50 20 BBGD Cc1cc(C)nc(NNC(=O)c2cn(C)nn2)n1 1323702860 JVZGXIYSYYDPOR-UHFFFAOYSA-N 247.262 -0.021 50 20 BBGD CC(=O)NNC(=O)[C@H]1C[C@@H](C(=O)O)C1 1603052070 AQVRKAXDZUGASX-OLQVQODUSA-N 200.194 -0.736 50 20 BBGD C[C@@H](CC(=O)O)C(=O)NNC(=O)C(C)(C)O 1604095722 ZQWSZXRYPFVVHH-YFKPBYRVSA-N 232.236 -0.985 50 20 BBGD O=C(O)[C@H]1CN(S(=O)(=O)CCl)CCO1 1606048846 YGGHSDWIAHTNHM-RXMQYKEDSA-N 243.668 -0.702 50 20 BBGD COC[C@@H](C)NC(=O)c1cccc(B(O)O)c1 584970337 WWOZYQIOVNDGRC-MRVPVSSYSA-N 237.064 -0.869 50 20 BBGD CCC(O)(CC)CNCc1ccc(B(O)O)o1 585019203 FRAYFQYGHQTRKB-UHFFFAOYSA-N 241.096 -0.400 50 20 BBGD O=C(NCB(O)O)[C@@H]1C[C@@H]1C1CCCC1 585063050 RTNMYBAMSRTDFQ-RKDXNWHRSA-N 211.070 -0.059 50 20 BBGD O=S(=O)(CCl)NCC1OCCCO1 716343225 UHGWINJJDIMJLF-UHFFFAOYSA-N 229.685 -0.135 50 20 BBGD Cn1cc(C(=O)NNC(=O)c2cc[nH]n2)cn1 735446225 FVDSLERJNYXSRD-UHFFFAOYSA-N 234.219 -0.782 50 20 BBGD CC(=O)NNC(=O)COc1c(C)nn(C)c1C 758909091 LGZSUEIAGKVSBF-UHFFFAOYSA-N 240.263 -0.417 50 20 BBGD C#CCNC(=O)NNC(=O)[C@H]1CCCCO1 820209084 UHGYKTTZKKOYLE-MRVPVSSYSA-N 225.248 -0.481 50 20 BBGD C[C@@H](CO)N(C)NC(=O)/C=C\c1cnn(C)c1 823983518 VZMCBQYCGXRFQV-WBSSQXGSSA-N 238.291 -0.223 50 20 BBGD COC(=O)N(C)NC(=O)C[C@@H]1CCC(=O)N1 854410010 ORVREPYKVPWSKA-LURJTMIESA-N 229.236 -0.616 50 20 BBGD Cc1ccnn1CC(=O)NNC(=O)C1CC1 858121760 LNOACHVXNDVVBP-UHFFFAOYSA-N 222.248 -0.251 50 20 BBGD C#CCCCC(=O)NNC(=O)COCCOC 869905986 HMQXGVOENBIAKG-UHFFFAOYSA-N 242.275 -0.400 50 20 BBGD C/C=C/c1cn(CC(=O)NNC(=O)C2CC2)nn1 881294108 VZNZDEUKOUKATL-NSCUHMNNSA-N 249.274 -0.131 50 20 BBGD Cn1ccnc(NNC(=O)C2CSC2)c1=O 896827284 DJYVEGNTIPWBJV-UHFFFAOYSA-N 240.288 -0.414 50 20 BBGD COc1cc(C(=O)NN(C)C[C@H](C)O)nn1C 910159513 IWFFDYXGHZTLLA-ZETCQYMHSA-N 242.279 -0.614 50 20 BBGD CC(=O)NNC(=O)[C@H]1CC(=O)N(CC(C)C)C1 914602792 UONMHPBVJAZFIF-VIFPVBQESA-N 241.291 -0.342 50 20 BBGD CCc1nocc1C=NNC(=O)C(N)=O 1324459264 GGZRZUPPUBRDHY-UHFFFAOYSA-N 210.193 -0.828 50 20 BBGD C[C@@H](O)CN(C)NC(=O)C1CCC(O)CC1 1332629366 MQADSYSMDRQXCM-XNWIYYODSA-N 230.308 -0.119 50 20 BBGD O=C(CN1CCCC1=O)NNC(=O)[C@H]1C[C@H]1F 1347384745 IRNDZOOASQEKSJ-NKWVEPMBSA-N 243.238 -0.886 50 20 BBGD CCOCC(=O)N1CC[C@@H](B(O)O)C1 1351730308 WDDJTIXXEXZPNN-SSDOTTSWSA-N 201.031 -0.902 50 20 BBGD C=C(C)[C@@H]1OCC[C@@H]1C(=O)NNC(=O)CN 1574842648 AEWMEWGMVSMJDE-CBAPKCEASA-N 227.264 -0.926 50 20 BBGD CC(C)[C@H](NS(=O)(=O)CCl)C(N)=O 231059761 FWRKVBFEMUPNGT-YFKPBYRVSA-N 228.701 -0.388 50 20 BBGD COC(=O)NNC(=O)[C@@H]1C[C@@]12CCOC2 375169740 BMNXVEIFZFQCJJ-IMTBSYHQSA-N 214.221 -0.200 50 20 BBGD COCC[C@@H](C)NCc1ccc(B(O)O)o1 585020806 JUDLNPJVDXDEHG-MRVPVSSYSA-N 227.069 -0.526 50 20 BBGD CC[C@@H](COC)NCc1cccc(B(O)O)c1 585025357 RSSCJNXGGDTVQY-LBPRGKRZSA-N 237.108 -0.119 50 20 BBGD CC1(CNCc2ccc(B(O)O)o2)CC1 585026852 SIBYWLHWFMTQJE-UHFFFAOYSA-N 209.054 -0.151 50 20 BBGD C[S@](=O)CCNC(=O)NNC(=O)C(C)(C)C 735098855 AFYKGIONRBIXQL-INIZCTEOSA-N 249.336 -0.259 50 20 BBGD CC(C)CC(=O)NNC(=O)[C@H]1C[C@H]1C(=O)O 736401179 DJRUVKJBCUUCLJ-NKWVEPMBSA-N 228.248 -0.099 50 20 BBGD CC[C@H](CO)C(=O)NNC(=O)c1ccncc1 779717660 VSWDTNHTZDBFAN-MRVPVSSYSA-N 237.259 -0.139 50 20 BBGD CC(=O)N1CC(C(=O)NNc2cccnn2)C1 788527153 VKVNIWZKJCPBTC-UHFFFAOYSA-N 235.247 -0.602 50 20 BBGD CCN(CCO)NC(=O)[C@@H]1CCCN1C1CC1 823879570 PNLJPQYHWIPCEQ-NSHDSACASA-N 241.335 -0.041 50 20 BBGD C[C@@H](CO)N(C)NC(=O)Cn1cc(Cl)cn1 823924220 YNAULACKQLYHLD-ZETCQYMHSA-N 246.698 -0.120 50 20 BBGD CN(CC(=O)NNc1ncc(F)cn1)C(=O)O 833692761 VRVFOGFRCQXQCC-UHFFFAOYSA-N 243.198 -0.331 50 20 BBGD Cc1ccnn1CC(=O)NNc1nc[nH]n1 863916922 NZVSOGXAYNTDAJ-UHFFFAOYSA-N 221.224 -0.547 50 20 BBGD CCOC(C)(C)C(=O)NNC(=O)CN(C)C 878681397 PTLASZYHRNWECD-UHFFFAOYSA-N 231.296 -0.490 50 20 BBGD CC[C@H](OC)C(=O)NNC(=O)c1cccnn1 882058783 KOJFZJJPAYDBFM-QMMMGPOBSA-N 238.247 -0.337 50 20 BBGD C[C@H](O)CN(C)NC(=O)c1cnc2[nH]cnc2c1 910155176 KNBUQVZZVBMHHH-ZETCQYMHSA-N 249.274 -0.085 50 20 BBGD CNC(=O)NNC(=O)Cc1[nH]cnc1C 1321293819 XQQLNFXHMVVMMJ-UHFFFAOYSA-N 211.225 -0.779 50 20 BBGD CNC(=O)NNC(=O)Cc1cc(C)on1 1339771036 FNVVZCFHOBFEDS-UHFFFAOYSA-N 212.209 -0.514 50 20 BBGD COC(=O)C(=O)NN=Cc1c[nH]c(C(=O)O)c1 1343882280 OOQUBZXOZSPEFE-UHFFFAOYSA-N 239.187 -0.664 50 20 BBGD O=C(C[C@H]1CCC(=O)N1)NNc1ncccn1 1350441560 GEOLOGLWCSUUIH-SSDOTTSWSA-N 235.247 -0.412 50 20 BBGD CC(C)(O)C(=O)NNC(=O)[C@@H]1C[C@]12CCOC2 377053086 RIFBEPSWPMMBKB-CPCISQLKSA-N 242.275 -0.669 50 20 BBGD CCOCCCNCc1ccc(B(O)O)cc1 585015269 VIGWHXNQXDNWGS-UHFFFAOYSA-N 237.108 -0.117 50 20 BBGD CO[C@@H](C)CCNCc1ccc(B(O)O)cc1 585021072 OUMXIHIIFLJUNY-JTQLQIEISA-N 237.108 -0.119 50 20 BBGD CC[C@H](COC)NCc1cccc(B(O)O)c1 585025356 RSSCJNXGGDTVQY-GFCCVEGCSA-N 237.108 -0.119 50 20 BBGD Cn1nc(C(=O)NCB(O)O)c2ccccc21 585063016 QQQUQARHMBJGKN-UHFFFAOYSA-N 233.036 -0.685 50 20 BBGD O=C(O)NCC(=O)NNc1nccnc1Cl 738651297 AEFUTEVEZUYMQI-UHFFFAOYSA-N 245.626 -0.159 50 20 BBGD C[C@@H]1CC(=NNC(=O)CN(C)C)CN1C 761810782 VAMMRULBEZEMRJ-MRVPVSSYSA-N 212.297 -0.256 50 20 BBGD CN(NC(=O)CC[C@H]1CCOC1)C(N)=O 778418570 NKFRHTQPVPMVQB-ZETCQYMHSA-N 215.253 -0.155 50 20 BBGD CCNC(=O)CC(=O)NNC(=O)NC1CC1 780907162 IDQWRUYBZZSUEG-UHFFFAOYSA-N 228.252 -0.995 50 20 BBGD O=C(Cn1cncn1)NNc1cccc(F)n1 804773441 WEPJXLHNLJLAAI-UHFFFAOYSA-N 236.210 -0.045 50 20 BBGD CCOC(=O)[C@@H]1C[C@H]1C(=O)NN(C)[C@@H](C)CO 823384884 WPLXZHQYQJYGGR-DJLDLDEBSA-N 244.291 -0.471 50 20 BBGD CCN(CCO)NC(=O)[C@H]1CO[C@@H](C)C1 823878944 AYPWZARNTZZTRS-DTWKUNHWSA-N 216.281 -0.243 50 20 BBGD CCN(CCO)NC(=O)c1nccnc1C 823898288 VCBLIBJKZJVMIW-UHFFFAOYSA-N 224.264 -0.256 50 20 BBGD C[C@H](CO)N(C)NC(=O)[C@H]1C[C@]12CCOC2 823934051 ANWDQRGLQXELTM-KKZNHRDASA-N 228.292 -0.243 50 20 BBGD CN1CCC[C@@H]1C(=O)NNC(=O)c1ncccn1 897988046 MDIXEWSVZBAJQB-MRVPVSSYSA-N 249.274 -0.668 50 20 BBGD CCCNC(=O)NNC(=O)[C@@H]1[C@H]2CCC(=O)[C@@H]21 906426705 SQCFIDPJVLCYMK-NBEYISGCSA-N 239.275 -0.048 50 20 BBGD O=C(NNc1ncccn1)[C@@]1(O)CCOC1 1118836038 YOZHAZQARTZHJD-SECBINFHSA-N 224.220 -0.929 50 20 BBGD COc1cc(C(C)=NNC(=O)C(N)=O)on1 1324245647 UXLNJLYRWOEPRN-UHFFFAOYSA-N 226.192 -0.991 50 20 BBGD CN(NC(=O)c1cncc(Cl)n1)C(N)=O 1324608094 PBBSLRULTPWEGM-UHFFFAOYSA-N 229.627 -0.215 50 20 BBGD COc1cc(C(=O)NNC(=O)NC2CC2)on1 1325516364 OGPWPLJBQBDJHZ-UHFFFAOYSA-N 240.219 -0.210 50 20 BBGD C[C@H](CO)N(C)NC(=O)C[C@@H]1CCOC1 1330878671 FOEJAKKCOMRLAR-BDAKNGLRSA-N 216.281 -0.243 50 20 BBGD Cn1nncc1NNC(=O)c1ccncc1 1347710159 TZEJZUTVCRUCDH-UHFFFAOYSA-N 218.220 -0.033 50 20 BBGD Cn1ncc(N)c1C(=O)NNC(=O)NC1CC1 1580005119 YODDLCYOGQYXTG-UHFFFAOYSA-N 238.251 -0.891 50 20 BBGD O=C(O)C(=O)NN=Cc1cccc(C(=O)O)c1 1608530726 BQWJRBKPMWKAIO-UHFFFAOYSA-N 236.183 -0.081 50 20 BBGD O=C(CO)NN=Cc1ccc(C(=O)O)c(O)c1 1776052628 BWQPCAAXBGWUCG-UHFFFAOYSA-N 238.199 -0.467 50 20 BBGD COCCC1(C(=O)NNC(=O)CO)CCCC1 182764196 IHMPVSFTOSYLDI-UHFFFAOYSA-N 244.291 -0.277 50 20 BBGD COCCCNC(=O)/C(C#N)=C/c1cnnn1C 490726684 SWTSRGBAGGNAGV-RMKNXTFCSA-N 249.274 -0.125 50 20 BBGD C[C@@H]1OC(=O)N[C@H]1C(=O)NNc1ncccn1 497100046 PYCMRYWMEMLLPT-NTSWFWBYSA-N 237.219 -0.583 50 20 BBGD CC[C@@H](CCO)NCc1ccccc1B(O)O 585025061 KUGXQYHEJKAMOQ-NSHDSACASA-N 237.108 -0.383 50 20 BBGD N#CCCCNCc1ccccc1B(O)O 585034683 LKPWKVHBGXIQSS-UHFFFAOYSA-N 218.065 -0.240 50 20 BBGD CO[C@@H](C)CNCc1cccc(B(O)O)c1 585036574 JPJINNVEQQPYLF-VIFPVBQESA-N 223.081 -0.509 50 20 BBGD CC1(C)[C@@H](O)C[C@@H]1NCc1cccc(B(O)O)c1 585037270 XLXSJTOLRHQPGF-RYUDHWBXSA-N 249.119 -0.385 50 20 BBGD Cn1cc(C(=O)NNC(=O)c2cocn2)cn1 735445816 AJICTFGMTLLWIR-UHFFFAOYSA-N 235.203 -0.517 50 20 BBGD CNC(=O)NNC(=O)Cc1ccn(C(C)C)n1 742576356 AOQCPSFKTJLNCT-UHFFFAOYSA-N 239.279 -0.033 50 20 BBGD CCO[C@H](CC(=O)NNC(=O)CO)C(C)C 753442985 QTQNHXZDKHMCAV-MRVPVSSYSA-N 232.280 -0.423 50 20 BBGD COC(=O)NNC(=O)Nc1cccnn1 764205606 HOELSBZNCOUKIC-UHFFFAOYSA-N 211.181 -0.131 50 20 BBGD CC(C)C(=O)NNC(=O)C1(C)COC1 782549411 REUJHJYEKQAURC-UHFFFAOYSA-N 200.238 -0.174 50 20 BBGD C[C@@H]1COC(=O)C1=NNC(=O)c1cnccn1 794888530 PEPDDXRXKWLJBY-ZCFIWIBFSA-N 234.215 -0.245 50 20 BBGD Cc1nc[nH]c1C(=O)NN(C)[C@@H](C)CO 823913108 OHRKAJISEGSCJY-LURJTMIESA-N 212.253 -0.324 50 20 BBGD C[C@@H](CO)N(C)NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 823918376 WKBRLHBTCGKDCR-JLIMGVALSA-N 228.292 -0.102 50 20 BBGD C=C[C@@H](O)C(=O)NNC(=S)NCCSC 831575412 JAUDOQMMXUPLLG-ZCFIWIBFSA-N 249.361 -0.608 50 20 BBGD CNC(=S)N(C)NC(=O)Cc1cnn(C)c1 854925563 ILMSOMLIEJEJFB-UHFFFAOYSA-N 241.320 -0.570 50 20 BBGD COc1ccnc(NNC(=O)[C@@H](C)N(C)C)n1 873984197 YTPIYBPNLPRPDY-SSDOTTSWSA-N 239.279 -0.122 50 20 BBGD C#CCCCC(=O)NNC(=O)[C@H](O)C1CC1 887149027 HAVSQIKGFSRCBC-SNVBAGLBSA-N 224.260 -0.292 50 20 BBGD C[C@H](O)CN(C)NC(=O)[C@@H]1CCCC(=O)N1C 910181937 DSTMCAZLSNXQHR-IUCAKERBSA-N 243.307 -0.659 50 20 BBGD CC(C)(C)C(=O)NNC(=O)NC[C@H]1COCO1 923861340 YPZQUGPYUKGLFW-ZETCQYMHSA-N 245.279 -0.264 50 20 BBGD Cn1c(CC(=O)NNC(N)=O)nc2ccccc21 1317890856 HEKKBNGHDNCDGA-UHFFFAOYSA-N 247.258 -0.185 50 20 BBGD CCS(=O)(=O)CC(C)=NN(C)C(N)=O 1319907592 FVTFTZKTXRQMTM-UHFFFAOYSA-N 221.282 -0.193 50 20 BBGD Cn1ccc(NNC(=O)[C@@H]2COCCO2)n1 1320983349 ZSENIWMXLCNMJO-ZETCQYMHSA-N 226.236 -0.721 50 20 BBGD CCNC(=O)NNC(=O)c1cc(OC)no1 1342586644 MZNSSYUCQJRIEX-UHFFFAOYSA-N 228.208 -0.353 50 20 BBGD CNC(=O)NNC(=O)[C@H]1CCc2ncncc2C1 1349443569 KXNVNXMVXDTTAJ-ZETCQYMHSA-N 249.274 -0.458 50 20 BBGD C/C=C\[C@H](O)C(=O)NNC(=O)[C@H]1CCCNC1 1576913549 CLSBGYBIGHRRTB-PJKNHULFSA-N 241.291 -0.930 50 20 BBGD C[C@H](O)CN(C)S(=O)(=O)CCl 82513254 YBJYDHLSGSCAJE-YFKPBYRVSA-N 201.675 -0.175 50 20 BBGD COc1nccnc1NNC(=O)C1(C)COC1 274033019 DMIBYZDYUGAOFZ-UHFFFAOYSA-N 238.247 -0.035 50 20 BBGD COC(=O)NNS(=O)(=O)C[C@@H]1CCCO1 496537632 DZFHQBHXIQLUGD-LURJTMIESA-N 238.265 -0.644 50 20 BBGD COC(=O)NNS(=O)(=O)C[C@H]1CCCO1 496537633 DZFHQBHXIQLUGD-ZCFIWIBFSA-N 238.265 -0.644 50 20 BBGD C[C@H]1CCCN1C(=O)c1cccc(B(O)O)c1 584954940 QCSZIANTSFZVRA-VIFPVBQESA-N 233.076 -0.009 50 20 BBGD OB(O)c1ccc(CNC[C@H]2CCCO2)cc1 585014659 YMDXFSSQLLGMAS-GFCCVEGCSA-N 235.092 -0.365 50 20 BBGD OB(O)c1ccccc1CNCCN1CCC1 585030773 ZPEZONINXICFDN-UHFFFAOYSA-N 234.108 -0.838 50 20 BBGD CN(C)c1ccc(C(=O)NCB(O)O)cc1F 585061131 LQXWCCWDKZGBNB-UHFFFAOYSA-N 240.043 -0.367 50 20 BBGD CCC(=O)NNC(=O)[C@H](C)N1CC[C@@](C)(O)C1 748832922 LHEPRYJALHFUJX-GZMMTYOYSA-N 243.307 -0.611 50 20 BBGD O=C(CO)NNC(=O)[C@H]1CCCCS1 753445653 RYVNPPPREDEWKK-ZCFIWIBFSA-N 218.278 -0.588 50 20 BBGD COCCN(C)NC(=O)[C@H]1CCOC1 808073024 CIENUAVAYYQXDX-QMMMGPOBSA-N 202.254 -0.368 50 20 BBGD CC1=NO[C@H](C(=O)NNC(=O)NCC2CC2)C1 823804959 VBWWNYQSHZSPMJ-QMMMGPOBSA-N 240.263 -0.108 50 20 BBGD C[C@H](CO)N(C)NC(=O)CCC(C)(C)O 823936047 YYSGBKHWIVUIST-MRVPVSSYSA-N 218.297 -0.119 50 20 BBGD CN1C(=O)CC[C@H]1CC(=O)NNc1cccnn1 832044637 QVCWBRKYXWMSGL-QMMMGPOBSA-N 249.274 -0.069 50 20 BBGD COCCN(C)NC(=O)[C@](C)(O)C1CC1 837628488 YTDBNLVYRPTZSO-SNVBAGLBSA-N 216.281 -0.243 50 20 BBGD Cc1cc(=NNC(=O)C(=O)NC2CC2)cc[nH]1 862511385 NFDRHSCYYUUJDN-UHFFFAOYSA-N 234.259 -0.466 50 20 BBGD C/C=C/C=C\C(=O)NNC(=O)CS(C)(=O)=O 863458340 YZFPQBLRXWQMTO-ICWBMWKASA-N 246.288 -0.689 50 20 BBGD CNC(=O)NNC(=O)[C@H](C)Cn1ccc(C)n1 864992653 LKKDJIVKJGRFFN-SSDOTTSWSA-N 239.279 -0.212 50 20 BBGD CCOCC(=O)NNC(=O)c1cccnn1 882061205 APZAOQFHDRITQT-UHFFFAOYSA-N 224.220 -0.726 50 20 BBGD CN(NC(=O)[C@@H]1CCN1C(C)(C)C)C(N)=O 897278078 OHHXCVKKEBWIDK-ZETCQYMHSA-N 228.296 -0.099 50 20 BBGD Cc1cn(C)nc1C(=O)NN(C)C[C@H](C)O 910145924 GABLFYBFFCTIDU-QMMMGPOBSA-N 226.280 -0.314 50 20 BBGD CN(C)C(=O)NNC(=O)CCc1ccon1 1118635455 BUWYHKJSMFNFPI-UHFFFAOYSA-N 226.236 -0.090 50 20 BBGD CC(C)NC(=S)NNC(=O)C1(N(C)C)CC1 1327721026 WLSMTHZKMZZKCL-UHFFFAOYSA-N 244.364 -0.016 50 20 BBGD Cc1cc(NC(=O)NNC(=O)CCO)sn1 1337621865 YXTYMNMTQUWSDK-UHFFFAOYSA-N 244.276 -0.013 50 20 BBGD COCCCOCC(=O)NNc1ncccn1 179731503 DCNOHTZDWOLBOO-UHFFFAOYSA-N 240.263 -0.027 50 20 BBGD COC[C@H](O)CCNS(=O)(=O)CCl 230188764 HPHUXHZUXSNJFM-ZCFIWIBFSA-N 231.701 -0.501 50 20 BBGD CCO/C=C(\C#N)C(=O)NNC(=O)C(C)(C)O 277933473 KCVRZKJMRTVAEP-VOTSOKGWSA-N 241.247 -0.651 50 20 BBGD OB(O)c1ccc(CNCCc2ccccn2)o1 585014114 IQMCLPGARDCHPC-UHFFFAOYSA-N 246.075 -0.313 50 20 BBGD C/C=C/C[C@H](CO)NCc1cccc(B(O)O)c1 585036717 PFDUHIXUPLSQQO-YWVDXFKGSA-N 249.119 -0.217 50 20 BBGD CO[C@H](C)[C@H](C)NCc1cccc(B(O)O)c1 585037486 ZJZMBOBIJKYKNB-VHSXEESVSA-N 237.108 -0.121 50 20 BBGD COC[C@@H](C)[C@@H](C)NCc1ccc(B(O)O)o1 585043551 QVGGPXKZXBWZEB-RKDXNWHRSA-N 241.096 -0.280 50 20 BBGD O=C(NCB(O)O)c1ccc2c(c1)OCO2 585057098 LDSDBBQGGMWVPG-UHFFFAOYSA-N 222.993 -0.843 50 20 BBGD CC(=O)N(C)CC(=O)NNc1ncc(F)cn1 760911229 AKPUFWFSPHEOQF-UHFFFAOYSA-N 241.226 -0.463 50 20 BBGD CCOC(=O)NNC(=O)[C@@H]1CCN(C)C1=O 771851497 AJLNNVDZLZVHTM-LURJTMIESA-N 229.236 -0.758 50 20 BBGD O=C(NNC(=O)C1CCCC1)c1nc[nH]n1 773277562 PFDOZVKUZVELSY-UHFFFAOYSA-N 223.236 -0.244 50 20 BBGD CCCn1cc(C(=O)NNC(=O)NC)cn1 781949590 MDIULDAFKMQBAR-UHFFFAOYSA-N 225.252 -0.133 50 20 BBGD COc1ccc(NNC(=O)C2=NNC(=O)C2)nc1 782046458 OSJBZIGQTLYXKJ-UHFFFAOYSA-N 249.230 -0.591 50 20 BBGD CCOC1(C(=O)NNC(=O)CO)CCCC1 807197706 FAXSAADESVNQSQ-UHFFFAOYSA-N 230.264 -0.525 50 20 BBGD CC(=O)NNC(=O)c1cc(C(=O)O)no1 833397618 GCBCSXDCPZTKCX-UHFFFAOYSA-N 213.149 -0.846 50 20 BBGD O=C(O)[C@@H]1COCCN1S(=O)(=O)CCl 849230347 TVAILNFADVQTHY-YFKPBYRVSA-N 243.668 -0.702 50 20 BBGD COCCOCC(=O)NNC(=O)CC1CCC1 869910518 UDUCKPRWSHBTCF-UHFFFAOYSA-N 244.291 -0.013 50 20 BBGD COc1cc(C(=O)NN(C)C[C@@H](C)O)on1 910151492 FVRCGJIXZBWLCB-ZCFIWIBFSA-N 229.236 -0.359 50 20 BBGD Cc1ncoc1C(=O)NNC(=O)Cc1cc[nH]n1 1116581241 GGGFELDKGAOTIQ-UHFFFAOYSA-N 249.230 -0.290 50 20 BBGD C[C@@H](C(=O)NNC(=O)CN(C)C)n1ccnc1 1321801101 NILPSIWPVKESGQ-QMMMGPOBSA-N 239.279 -0.847 50 20 BBGD COC(=O)N(C)NC(=O)Cc1nnc(C)o1 1324060159 MCHOAZFUBBEIOL-UHFFFAOYSA-N 228.208 -0.350 50 20 BBGD C[C@@H](O)CN(C)NC(=O)[C@]1(C(=O)O)C[C@H]1C 1573633914 DZOCCMGJQIQRTK-XSSZXYGBSA-N 230.264 -0.559 50 20 BBGD C#CCCCC(=O)NNC(=O)COCC(=O)O 1588435042 AJSDOYNIHITLTH-UHFFFAOYSA-N 242.231 -0.962 50 20 BBGD COC(=O)CNC(=O)NN=C(C)CCC(=O)O 1606470882 LYVIAXFJAKLYFJ-UHFFFAOYSA-N 245.235 -0.301 50 20 BBGD CN(C)CC(=O)NNC(=O)CC1(O)CCCC1 161279509 WLIZUGATQQKBRD-UHFFFAOYSA-N 243.307 -0.609 50 20 BBGD COc1nccnc1NNC(=O)Cc1ccn[nH]1 184367167 NZOJNYJRGQQUJP-UHFFFAOYSA-N 248.246 -0.106 50 20 BBGD CCNC(=O)NNC(=O)[C@@H]1CCCO1 270608620 CCCUCQKJBSXMAZ-LURJTMIESA-N 201.226 -0.484 50 20 BBGD CN(C)C/C=C/C(=O)NNC(=O)[C@H]1CCCO1 293936497 OAAFISLEUHUXBD-BSPAPZMXSA-N 241.291 -0.569 50 20 BBGD CCNC(=O)N(C)NC(=O)[C@H]1NC(=O)O[C@H]1C 497017283 FYRKFAVGNPLMED-WDSKDSINSA-N 244.251 -0.824 50 20 BBGD O=C(NC[C@H]1CCOC1)c1cccc(B(O)O)c1 584933380 GPZRIYCNOVKPFI-SECBINFHSA-N 249.075 -0.867 50 20 BBGD CC(C)CO[C@@H](C)C(=O)NCB(O)O 585062127 QIATVCXHOGMICO-ZETCQYMHSA-N 203.047 -0.824 50 20 BBGD CC(=O)NNC(=O)CNC(=O)CC1CCCC1 725878064 DTXKBZZBUOFTAN-UHFFFAOYSA-N 241.291 -0.150 50 20 BBGD CCOCCO[C@H](C)C(=O)NNC(=O)N(C)C 746014746 QIGYNLQXLJJUHD-MRVPVSSYSA-N 247.295 -0.270 50 20 BBGD CC(C)NC(=O)NNC(=O)Cc1cc[nH]n1 746176828 VQFDWXIMRSVMNB-UHFFFAOYSA-N 225.252 -0.309 50 20 BBGD C[C@H](C(=O)NNC(=O)CO)C(F)(F)F 753445534 LYRBHHVATWZIMK-GSVOUGTGSA-N 214.143 -0.676 50 20 BBGD Cc1cc(CC(=O)NNC(=O)C(C)(C)O)no1 768245783 GDCSFTUWBMXHCI-UHFFFAOYSA-N 241.247 -0.556 50 20 BBGD CNC(=O)NCCC(=O)NNC(=O)C1CCC1 815552802 KMRYWKSSJARMKA-UHFFFAOYSA-N 242.279 -0.747 50 20 BBGD CN(NC(=O)Cn1ccc([N+](=O)[O-])n1)C1CC1 819647096 IPHSXGLDCKCVMR-UHFFFAOYSA-N 239.235 -0.083 50 20 BBGD N#C/C=C\CN1C(=O)N[C@@]2(CCCNC2)C1=O 830549460 ONZUFNFLJJNLAF-RFMOXSJOSA-N 234.259 -0.260 50 20 BBGD CC(C)[C@H](NC=O)C(=O)NNc1ccncn1 861873504 MORZYSYXAJLCTB-VIFPVBQESA-N 237.263 -0.310 50 20 BBGD C[C@H]1CC(=NNC(=O)CS(C)(=O)=O)[C@@H](C)O1 863185963 JHLIHFIRIDFSON-NKWVEPMBSA-N 248.304 -0.300 50 20 BBGD CO[C@H](C)CC(=O)NN(C)C[C@@H](C)O 910165072 GIJIVXGJDMPAKC-HTQZYQBOSA-N 204.270 -0.245 50 20 BBGD CNC(=S)N(C)NC(=O)CO[C@@H]1CCOC1 1118714218 ZMXKZTIZTPDSRG-SSDOTTSWSA-N 247.320 -0.741 50 20 BBGD CC(=O)N1CCC[C@@H](C(=O)NN(C)C(N)=O)C1 1254448135 MGFKUCAKSHFQLV-MRVPVSSYSA-N 242.279 -0.713 50 20 BBGD Cn1cncc1C=NNC(=O)Cc1cc[nH]n1 1327800157 IMVXKJQMXBXGFJ-UHFFFAOYSA-N 232.247 -0.164 50 20 BBGD Cn1nncc1CNC(=O)NNc1ncccn1 1346641407 XQUANZAEBVWRHX-UHFFFAOYSA-N 248.250 -0.569 50 20 BBGD C[C@@H](C(=O)NNC(=O)N(C)C)[C@H]1CCC(=O)N1 1351362242 VUJXSJORCKQTFJ-RNFRBKRXSA-N 242.279 -0.797 50 20 BBGD Nc1nnn(CC(=O)NCC(Cl)Cl)n1 1358226510 AIPWEJVVDBVALF-UHFFFAOYSA-N 239.066 -0.825 50 20 BBGD CCNC(=O)NNC(=O)[C@H]1CCCCN1 1574076398 ISDXSAKRWOWQQE-SSDOTTSWSA-N 214.269 -0.521 50 20 BBGD CC1(C)SC[C@H]1NC(=O)NNC(=O)C(=O)O 1593981549 GBDXIPWHWIQWJW-SCSAIBSYSA-N 247.276 -0.705 50 20 BBGD O=C(O)[C@H](CF)NS(=O)(=O)CCCCl 1601647928 FWQJDNVFHBYWQE-YFKPBYRVSA-N 247.675 -0.043 50 20 BBGD CC(=O)N[C@H](C(=O)NNC(=O)C1CC1)C(C)C 26967453 YXGCOLQMNDWVGJ-VIFPVBQESA-N 241.291 -0.296 50 20 BBGD Cc1nc(C(C)C)[nH]c(=O)c1C(=O)NN 37389928 JQMXPKFQOOVOTO-UHFFFAOYSA-N 210.237 -0.195 50 20 BBGD O=S(=O)(CCl)N1CCC[C@H](O)C1 82511938 FPVJHPSCJFDFSS-LURJTMIESA-N 213.686 -0.031 50 20 BBGD CO[C@@H](C)CC(=O)NNC(=O)c1c[nH]nc1C 110759336 ONTKQIPAEFYEIM-LURJTMIESA-N 240.263 -0.096 50 20 BBGD CN(C)CC(=O)NNC(=O)c1cscn1 113424572 VGGTXSYOKSKOCV-UHFFFAOYSA-N 228.277 -0.534 50 20 BBGD CC(=NNC(=O)C(N)=O)c1cccnc1 254513005 AWFTXBJDDRBGPC-UHFFFAOYSA-N 206.205 -0.593 50 20 BBGD COCCC(=O)NNC(=O)NC1CC1 263867567 LFPIEFWMJZKGLI-UHFFFAOYSA-N 201.226 -0.484 50 20 BBGD OB(O)c1ccc(CN[C@@H]2CCSC2)o1 585039912 ZRPLKDKBDOEROU-SSDOTTSWSA-N 227.094 -0.446 50 20 BBGD CC(C)(C)SCC(=O)NCB(O)O 585058824 QZBKMXXPNIKIJF-UHFFFAOYSA-N 205.088 -0.354 50 20 BBGD CCCN(C)CC(=O)N1CC[C@@H](B(O)O)C1 585069207 JFUNPZBXSABZMK-SECBINFHSA-N 228.101 -0.597 50 20 BBGD C[C@@H](C#N)C(=O)NNC(=O)c1cccn1C 736665865 FAGUAYFWNPCOIJ-ZETCQYMHSA-N 220.232 -0.054 50 20 BBGD CNC(=O)NCC(=O)NNC(=O)C1CCCC1 761136842 DTNLRKLESABHTP-UHFFFAOYSA-N 242.279 -0.747 50 20 BBGD CCCNC(=O)NNC(=O)[C@H]1CCCC(=O)N1 799585320 VIDLNVJRARFCSU-SSDOTTSWSA-N 242.279 -0.605 50 20 BBGD Cc1coc(C)c1C(=O)NNC(=O)CO 807196398 UZAQIQFVHALMKN-UHFFFAOYSA-N 212.205 -0.350 50 20 BBGD CC(C)(O)C(=O)NNC(=O)[C@](C)(O)C1CCC1 813530776 YPXQWJDQBMPXKQ-LLVKDONJSA-N 244.291 -0.544 50 20 BBGD Cn1nncc1C(=O)NNC(=O)CC1CC1 819114264 CXUYZCDWBLJFQZ-UHFFFAOYSA-N 223.236 -0.624 50 20 BBGD C[C@H](CO)N(C)NC(=O)[C@](C)(O)C1CC1 823922728 MNLCHCNBCYCHPM-GMSGAONNSA-N 216.281 -0.509 50 20 BBGD C[C@H](CO)N(C)NC(=O)c1ccnn1C 823964712 DPOKKDMPDNEGLY-SSDOTTSWSA-N 212.253 -0.623 50 20 BBGD C[C@@H](CC(=O)O)C(=O)NNC(=O)NCC1CC1 827303294 DHHCMNLTZOHFMP-LURJTMIESA-N 243.263 -0.162 50 20 BBGD O=C(NNc1ncccn1)[C@@H]1[C@H]2CNC[C@H]21 843381864 JRFQPUAQSGZENO-JIGDXULJSA-N 219.248 -0.615 50 20 BBGD CCn1ncnc1C=NNC(=O)N(C)C 848404304 ONIYMVGQFYFGJX-UHFFFAOYSA-N 210.241 -0.097 50 20 BBGD CNC(=S)N(C)NC(=O)[C@H](OC)C1CC1 854920497 QDVUJPKEOFIKQB-SSDOTTSWSA-N 231.321 -0.121 50 20 BBGD CNC(=S)N(C)NC(=O)c1cnc(C)cn1 854929925 YANGRVFINRCQNQ-UHFFFAOYSA-N 239.304 -0.134 50 20 BBGD C#CCCCC(=O)NNC(=O)c1cnn(C)n1 887148949 CSOGYIULQALDFP-UHFFFAOYSA-N 235.247 -0.620 50 20 BBGD CCn1ccnc1C=NNC(=O)C(=O)OC 1319588524 QLAAJAYFKUQTOB-UHFFFAOYSA-N 224.220 -0.474 50 20 BBGD O=C(C[C@H]1CC(=O)N1)NNC(=O)c1ccccn1 1327718179 HAMMTXLXPSHTJU-SSDOTTSWSA-N 248.242 -0.879 50 20 BBGD Cn1nncc1NNC(=O)[C@H]1C[C@H]2CC[C@H]1O2 1328638516 YXPDDENABOGCGO-GJMOJQLCSA-N 237.263 -0.174 50 20 BBGD O=C(NNC(=O)[C@]1(F)CCOC1)c1cc[nH]n1 1329371620 VKBIVQWDIVLTOP-VIFPVBQESA-N 242.210 -0.701 50 20 BBGD CO[C@@H](C)CC(=O)NNC(=O)C1CCOCC1 1330841403 NXVCZMBCXNOVDA-QMMMGPOBSA-N 244.291 -0.015 50 20 BBGD CNC(=O)NNC(=O)COCc1ccccn1 1331910168 FEWOESFEJWSIBO-UHFFFAOYSA-N 238.247 -0.442 50 20 BBGD COC(=O)C(=O)NNC(=O)N[C@H]1CC12CCC2 1332947008 RBFIKMXBXIUWJE-LURJTMIESA-N 241.247 -0.568 50 20 BBGD CC1(C)CN[C@H]1C(=O)NN=c1cc[nH]cc1 1573614322 ILCPSLOOWHNMTG-VIFPVBQESA-N 220.276 -0.055 50 20 BBGD CCOC(=O)NCC(=O)NNC(=O)OCC 42474699 NQRAIXUDLNHISZ-UHFFFAOYSA-N 233.224 -0.490 50 20 BBGD CNC(=O)NNS(=O)(=O)c1ccccc1 47463759 JYLYIOAHOFIHNW-UHFFFAOYSA-N 229.261 -0.191 50 20 BBGD CCCc1cc(C(=O)NNC(=O)NC)[nH]n1 48950465 KTUIJJWTRLVCLZ-UHFFFAOYSA-N 225.252 -0.064 50 20 BBGD CNC(=O)NNC(=O)/C=C/c1cnn(C)c1 56375801 XMEOSKMLNTUXPF-ONEGZZNKSA-N 223.236 -0.607 50 20 BBGD CC(=O)CCC(=O)NNC(=O)[C@@H]1CCCO1 292169412 PLJWRJRTXFGQRR-QMMMGPOBSA-N 228.248 -0.318 50 20 BBGD CCN(CCC#N)C(=O)c1ccc(B(O)O)cc1 584933830 LPYOOHOMSLKHSV-UHFFFAOYSA-N 246.075 -0.258 50 20 BBGD Cc1ccccc1S(=O)(=O)NCB(O)O 585054486 LXWASFXDKBGKIA-UHFFFAOYSA-N 229.066 -0.715 50 20 BBGD O=C(NCB(O)O)c1cc(-c2ccccc2)[nH]n1 585061405 WWJZOUIYIJYWIM-UHFFFAOYSA-N 245.047 -0.182 50 20 BBGD O=C(NNc1ncc(F)cn1)[C@H]1COCCO1 760908402 OARVTYHPZXVIRR-SSDOTTSWSA-N 242.210 -0.526 50 20 BBGD CC[C@H](CO)C(=O)NNC(=O)C1CCC1 779778891 PIUVGJQFDSPSBU-SSDOTTSWSA-N 214.265 -0.048 50 20 BBGD CC(=O)NCC(=O)NNc1ncncc1Cl 781804077 ADNPBCQZVWAANF-UHFFFAOYSA-N 243.654 -0.291 50 20 BBGD C[C@H](O)C(=O)NNC(=O)c1ccc(C#N)cc1 786849959 YMVQUXXXZVYHKV-ZETCQYMHSA-N 233.227 -0.300 50 20 BBGD O=C(CC1CC1)NNC(=O)[C@@H]1CCOC1 792623940 YOBFHNOMYJWDKO-MRVPVSSYSA-N 212.249 -0.030 50 20 BBGD Cn1cc(C=NNC(=O)C(C)(C)O)c(O)n1 814228136 WGBIIQPYFNYTKG-UHFFFAOYSA-N 226.236 -0.653 50 20 BBGD CC[C@H](OC)C(=O)NN(C)[C@H](C)CO 823964599 BZHHMUTXDSENCF-SFYZADRCSA-N 204.270 -0.245 50 20 BBGD CC1=NO[C@H](C(=O)NNC(=O)N(C)C)C1 824627777 WPCANOCILJLCDW-LURJTMIESA-N 214.225 -0.546 50 20 BBGD CCNC(=O)N(C)NC(=O)[C@@H](C)CN 831945585 SQIREIBKIPHWES-LURJTMIESA-N 202.258 -0.726 50 20 BBGD Cc1cc(=NNC(=O)[C@H]2CCCC(=O)N2)cc[nH]1 862513236 CIOUHPNMYUKESY-SNVBAGLBSA-N 248.286 -0.076 50 20 BBGD C#CCSCC(=O)NNC(=O)C1CC1 895461801 AZCQXWXCOUETGM-UHFFFAOYSA-N 212.274 -0.090 50 20 BBGD CC(=O)NNC(=O)[C@@H]1CCCC(=O)N1C 905063827 HGEUKPLXZKGBFG-ZETCQYMHSA-N 213.237 -0.835 50 20 BBGD CSCC[C@@H](O)C(=O)NN(C)C[C@H](C)O 910155611 OAXPNGPCJBUKGJ-JGVFFNPUSA-N 236.337 -0.556 50 20 BBGD COCc1cc(C(=O)NN(C)C[C@@H](C)O)no1 910162023 BXVLPBNCMCDQOQ-SSDOTTSWSA-N 243.263 -0.222 50 20 BBGD C[C@@H](O)CN(C)NC(=O)c1cnccn1 910184258 YPVPAPIREZWNFS-SSDOTTSWSA-N 210.237 -0.566 50 20 BBGD NC(=O)C(=O)NN=Cc1cc(F)ccc1F 915934739 HGFOMRNSDFRIIT-UHFFFAOYSA-N 227.170 -0.100 50 20 BBGD CC(=O)NNC(=O)[C@@H]1CC(=O)N(C2CC2)C1 919405600 RSWGJEIHYJXVQV-SSDOTTSWSA-N 225.248 -0.835 50 20 BBGD COc1cc(C(=O)NNC(=O)N(C)C)on1 1116620356 AKNXDXIHVHWKPO-UHFFFAOYSA-N 228.208 -0.401 50 20 BBGD Cc1nn[nH]c1C(=O)NNC(=O)c1ccncc1 1116844613 AUKZJPFCJGSQCE-UHFFFAOYSA-N 246.230 -0.417 50 20 BBGD COCCOCC(=O)NNC(=O)[C@H]1C[C@H]1F 1123842887 AJTVPIPMPNDXQC-NKWVEPMBSA-N 234.227 -0.845 50 20 BBGD CN(NC(=O)C1(F)CCOCC1)C(N)=O 1261854220 FJDZABSLTLZWNV-UHFFFAOYSA-N 219.216 -0.453 50 20 BBGD CC(C)NC(=S)NNC(=O)c1ncon1 1262383122 PDIPKPMGZHLPGC-UHFFFAOYSA-N 229.265 -0.413 50 20 BBGD C[C@@H]1CC(=NNC(=O)CCO)CCN1C 1318993635 SQPJWEWREWHNPR-MRVPVSSYSA-N 213.281 -0.045 50 20 BBGD O=C(Cc1cc[nH]n1)NNC(=O)[C@@H]1CCOC1 1337795575 HOJVYSYGLOFXRF-SSDOTTSWSA-N 238.247 -0.864 50 20 BBGD N#Cc1cncc(N2CC[C@@H](B(O)O)C2)n1 1351727934 BWAPNXRIIQQAJS-SSDOTTSWSA-N 218.025 -0.599 50 20 BBGD CN(N)C(=O)CNC(=O)Cc1ccc(O)cc1 1573877546 RRLWMCUVNOJKLE-UHFFFAOYSA-N 237.259 -0.617 50 20 BBGD Cc1nnc(NNC(=O)[C@@H](N)CC2CC2)n1C 1579912630 IAWFEFWCLFLSHQ-QMMMGPOBSA-N 238.295 -0.306 50 20 BBGD CCNC(=O)NNC(=O)[C@@H]1CC[C@H]1C(=O)O 1589908765 JCMDPAOEKDVSRQ-PHDIDXHHSA-N 229.236 -0.553 50 20 BBGD O=C1C[C@@H](C(=O)NNc2ccccc2C(=O)O)N1 1602631002 GPZGFHCOHQJWJJ-QMMMGPOBSA-N 249.226 -0.284 50 20 BBGD CC(C[C@H]1CCOC1)=NNC(=O)C(=O)O 1604130073 POTKNFKHHJOHBD-SSDOTTSWSA-N 214.221 -0.010 50 20 BBGD CCCSCC(=O)NNC(=O)CN(C)C 113424530 IRXVRKYEUDVBTM-UHFFFAOYSA-N 233.337 -0.161 50 20 BBGD CN1C[C@@H](C(=O)NNC(=O)C2CC2)CC1=O 298350447 NZDHZECOQPERPI-ZETCQYMHSA-N 225.248 -0.978 50 20 BBGD O=C(NNC(=O)C1CC1)c1ncccc1O 299667493 OSCRRQISVOHJLN-UHFFFAOYSA-N 221.216 -0.042 50 20 BBGD O=S(=O)(CCl)N1CC[C@H](O)[C@@H](CO)C1 307332252 ACCIYCOEBBFUAZ-RQJHMYQMSA-N 243.712 -0.812 50 20 BBGD O=C(N[C@@H]1CC[C@@H]2C[C@H]21)c1ccc(B(O)O)cc1 584986038 VUJIUPROLOTVPI-YUSALJHKSA-N 245.087 -0.105 50 20 BBGD C=CCOCCNC(=O)c1ccc(B(O)O)cc1 585005408 GWQSXNXTYWCBHM-UHFFFAOYSA-N 249.075 -0.701 50 20 BBGD CC(C)[C@H](O)CNCc1ccc(B(O)O)cc1 585025168 NHCNQDIJJFYGSZ-GFCCVEGCSA-N 237.108 -0.527 50 20 BBGD OB(O)c1ccc(CN[C@@H]2CC[C@H]2O)c(F)c1 585048258 MEAYPVIATCYKKM-GHMZBOCLSA-N 239.055 -0.882 50 20 BBGD C[C@H]1C[C@H]1C(=O)NNC(=O)c1ncccn1 743339312 LLUPQWPBOHJPIO-NKWVEPMBSA-N 220.232 -0.106 50 20 BBGD C[C@H]1OCCC1=NNC(=O)CN1CCCC1=O 747755789 VCNKNLOOVCBTES-MRVPVSSYSA-N 239.275 -0.110 50 20 BBGD CC(C)(O)C(=O)NNC(=O)CC[C@H]1CCOC1 768259736 OLTNNQPBQKHXDW-QMMMGPOBSA-N 244.291 -0.279 50 20 BBGD CC(C[C@H]1CCOC1)=NNC(=O)CO 776780577 KVKQBTIPRUSBIW-MRVPVSSYSA-N 200.238 -0.103 50 20 BBGD COCCNC(=O)/C(C#N)=C\c1cnn(C)n1 821027066 BWTYTCKGNJOIJL-YVMONPNESA-N 235.247 -0.515 50 20 BBGD Cc1cc(CC(=O)NN(C)[C@H](C)CO)no1 823959683 NVKFFMIFTQRXCL-SSDOTTSWSA-N 227.264 -0.131 50 20 BBGD C[C@H]1C[C@@H]1C(=O)NNC(=O)c1ncon1 832820800 AMOAPAYTPBHXCZ-WHFBIAKZSA-N 210.193 -0.513 50 20 BBGD CC(C)[C@@H](C)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862453866 AGTPYMBWMRDDAN-SFYZADRCSA-N 241.291 -0.296 50 20 BBGD O=C1CC[C@H](C(=O)NN=C[C@H]2CCCOC2)N1 863149473 AIOYECCPOMXWLI-RKDXNWHRSA-N 239.275 -0.206 50 20 BBGD C#CCCCNC(=O)c1cc(B(O)O)ccc1F 866133556 URLUUOZBYFESDA-UHFFFAOYSA-N 249.050 -0.351 50 20 BBGD OCC1(CNCc2ccccc2B(O)O)CC1 877078259 JTFUJTHOSSKBOP-UHFFFAOYSA-N 235.092 -0.772 50 20 BBGD C[C@H](O)CN(C)NC(=O)C[C@@](C)(O)C1CC1 910160910 PZLKUDRSZNZFKJ-GZMMTYOYSA-N 230.308 -0.119 50 20 BBGD O=C(CCn1ccccc1=O)NNC(=O)C1CC1 914871165 VNWWKCQCOZOCRE-UHFFFAOYSA-N 249.270 -0.204 50 20 BBGD CS(=O)(=O)CC(=O)N1CC=C(C#N)CC1 1295164604 XVPOAWQCSCVYOQ-UHFFFAOYSA-N 228.273 -0.287 50 20 BBGD O=C(NNC(=O)c1ccc[nH]1)c1ccc[n+]([O-])c1 1317704315 ZTRCNVCMGLFMSS-UHFFFAOYSA-N 246.226 -0.277 50 20 BBGD COCCOCC(=O)NNc1cccnn1 1320353985 XPJBKNYLWDKKSP-UHFFFAOYSA-N 226.236 -0.417 50 20 BBGD CN(C)C(=O)NNC(=O)CCCCC(=O)O 1593686224 DBPLMKHWIJJLNW-UHFFFAOYSA-N 231.252 -0.066 50 20 BBGD COCCCC(=O)NNC(=O)c1cc(C)n[nH]1 153350828 KJGRCMNEMVYQHU-UHFFFAOYSA-N 240.263 -0.094 50 20 BBGD O=C(CCl)N1C[C@H](O)[C@@H](n2cccn2)C1 409434803 QQQOPRJMRLPILR-YUMQZZPRSA-N 229.667 -0.134 50 20 BBGD C[C@@H](NCc1ccc(B(O)O)o1)C1(CO)CC1 585047479 PSNDJBDIEBFXRY-MRVPVSSYSA-N 239.080 -0.790 50 20 BBGD Cc1ccc(CS(=O)(=O)NCB(O)O)cc1 585059171 BOZMOWICECSQKE-UHFFFAOYSA-N 243.093 -0.574 50 20 BBGD Cc1[nH]nc2ncc(C(=O)NCB(O)O)cc12 585061077 KHKOIYWDAZXSLK-UHFFFAOYSA-N 234.024 -0.992 50 20 BBGD CCN1CCC[C@@H](NC(=O)NN)C1=O 722344426 NSIJXXROWNEYHK-ZCFIWIBFSA-N 200.242 -0.830 50 20 BBGD CO[C@@H](C)C(=O)NNC(=O)Cc1cccnc1 728849995 GBVBVSPIICQMII-QMMMGPOBSA-N 237.259 -0.194 50 20 BBGD C/C=C\C(=O)NNC(=O)Cc1cc[nH]n1 755279544 ODKDLNPWGOHKSS-IHWYPQMZSA-N 208.221 -0.324 50 20 BBGD COCCCNC(=O)NNC(=O)C(C)(C)O 756810967 AFNDYKMRPGIZPB-UHFFFAOYSA-N 233.268 -0.876 50 20 BBGD CC(=NNC(=O)C(=O)NC1CC1)c1ccnn1C 766002231 LMBXQYSKEAOGPA-UHFFFAOYSA-N 249.274 -0.461 50 20 BBGD CCOc1cccc(C=NNC(=O)CO)n1 776783122 XDBBHIYSNCSIAB-UHFFFAOYSA-N 223.232 -0.077 50 20 BBGD COCCn1cc(C(=O)NN(C)C2CC2)nn1 819653307 JWRUNEFQHBRVNQ-UHFFFAOYSA-N 239.279 -0.337 50 20 BBGD CCN(CCO)NC(=O)c1ccncn1 823873538 CWCJBRWAKRIQME-UHFFFAOYSA-N 210.237 -0.564 50 20 BBGD CCO/C=C(/C#N)C(=O)NN(C)[C@@H](C)CO 823945997 BZDYZVDDDDCLPB-FZGDARCMSA-N 227.264 -0.226 50 20 BBGD CC[C@@H]1CCC[C@@H]1C(=O)NNC(=O)CO 827893314 AXPCYZJBUHTPKO-SFYZADRCSA-N 214.265 -0.048 50 20 BBGD COCC(=O)NN[C@H](C(=O)O)c1cccnc1 831540893 HQXPUUSGZCEOFL-VIFPVBQESA-N 239.231 -0.526 50 20 BBGD CC[C@H](C#N)C(=O)NNC(=O)c1cnn(C)c1 845554529 LVKMHFDSACBAMT-SSDOTTSWSA-N 235.247 -0.269 50 20 BBGD CO[C@@H](C)C(=O)NNC(=O)c1cc[nH]n1 855359313 NETRMTFZFFDUDD-YFKPBYRVSA-N 212.209 -0.794 50 20 BBGD Cc1cc(=NNC(=O)[C@@H]2CCN(C)C2=O)cc[nH]1 862512138 LKUZKLIFDDJLJZ-JTQLQIEISA-N 248.286 -0.267 50 20 BBGD CCNC(=O)NNC(=O)[C@]1(CC)CCNC1=O 865015618 DUOIFAGBXZMGBA-SNVBAGLBSA-N 242.279 -0.747 50 20 BBGD C[C@@H](O)CN(C)NC(=O)C[C@H]1CCCO1 910141399 RZSWZLYAUMYIHE-RKDXNWHRSA-N 216.281 -0.101 50 20 BBGD C[C@@H](O)CN(C)NC(=O)c1cnc2nccn2c1 910185052 XLAAOZWFYXOMGC-MRVPVSSYSA-N 249.274 -0.313 50 20 BBGD CCC[C@H](O)C(=O)NNC(=O)C(C)C 929287992 NDFBKQOLIPUKAA-ZETCQYMHSA-N 202.254 -0.049 50 20 BBGD CCC(=O)NNC(=O)[C@H](C)N[C@@H](CC)CO 931771012 IKKJEYGQNOFEIK-YUMQZZPRSA-N 231.296 -0.707 50 20 BBGD CCN(OC)C(=O)c1cccc(B(O)O)c1 1123948718 OGGWAOOZVDNNNC-UHFFFAOYSA-N 223.037 -0.610 50 20 BBGD CNC(=O)NNC(=O)Cc1noc(C)c1C#N 1341961813 DJWIJJGHQZWFEW-UHFFFAOYSA-N 237.219 -0.643 50 20 BBGD CCc1ncoc1C(=O)NNC(=O)NC 1357826563 PMAWKMITXNBVGK-UHFFFAOYSA-N 212.209 -0.189 50 20 BBGD CC(C)NC(=O)C(=O)NNC(=O)[C@H]1C[C@H]1F 1520746527 FYITZKAQBRXATH-NTSWFWBYSA-N 231.227 -0.984 50 20 BBGD COCC[C@H](N)C(=O)NN[C@H](C)C(F)(F)F 1573978406 RZBJRYCKYYOGOY-RITPCOANSA-N 243.229 -0.078 50 20 BBGD Cc1cc(NNC(=O)C(C)(C)CN)nc(N)n1 1579635891 NFHJHBBFDCWGHN-UHFFFAOYSA-N 238.295 -0.205 50 20 BBGD CC[C@@H](C(=O)O)C(=O)NNC(=O)C(C)(C)O 1594755499 LBZSKNQRPAOMCM-RXMQYKEDSA-N 232.236 -0.985 50 20 BBGD O=C(CC1CC1)NNC(=O)C1(C(=O)O)CC1 1601248945 XVBJJGXGTCTUJQ-UHFFFAOYSA-N 226.232 -0.201 50 20 BBGD CC(C)NC(=O)NNC(=O)C(=O)NC1CC1 42840271 HXBDMVVXXPMEFK-UHFFFAOYSA-N 228.252 -0.996 50 20 BBGD CNC(=O)NNC(=O)[C@H]1Cc2ccccc2O1 48949717 QFKDKNNLVNYSGC-SECBINFHSA-N 235.243 -0.050 50 20 BBGD O=C(NNC(=O)[C@@H]1CCOC1)c1ccccn1 49353999 AMNDYSQVFGSPKF-MRVPVSSYSA-N 235.243 -0.121 50 20 BBGD C[C@H](O)C(=O)NNC(=O)Cc1ccccc1F 276581599 VEFGIOIUHUQUQI-ZETCQYMHSA-N 240.234 -0.104 50 20 BBGD Cc1cccc(C(=O)NNC(=O)[C@@H](C)O)n1 279738379 ADOPMKOGSRTXAY-SSDOTTSWSA-N 223.232 -0.468 50 20 BBGD CCN(CC)CC(=O)NNc1nnc[nH]1 293939800 OFUHALPJAOGVQU-UHFFFAOYSA-N 212.257 -0.410 50 20 BBGD COC(=O)NNS(=O)(=O)CCOC(C)C 491967011 DSVVHYOEGBUUMV-UHFFFAOYSA-N 240.281 -0.398 50 20 BBGD COC1(C(=O)Nc2cccc(B(O)O)c2)CCC1 584913836 KJUSBOSWJYENQK-UHFFFAOYSA-N 249.075 -0.126 50 20 BBGD CNC(=O)C1(C(=O)NNc2cccnn2)CCC1 736711163 XQWACPUOGRXUJA-UHFFFAOYSA-N 249.274 -0.164 50 20 BBGD Cc1c(C(=O)NNC(=O)C2CCC2)nnn1C 741692422 VNTJDHRCWNRPFT-UHFFFAOYSA-N 237.263 -0.315 50 20 BBGD CCNC(=O)N(C)NC(=O)[C@@H](O)CCSC 768410214 QFQKNZIAUBQNNI-ZETCQYMHSA-N 249.336 -0.207 50 20 BBGD CC(C)(O)CC(=O)NNC(=O)C(C)(C)O 792477775 AKFXVJFCSCMQCP-UHFFFAOYSA-N 218.253 -0.934 50 20 BBGD Cn1c(Cl)cnc1C=NNC(=O)CO 799484430 CPQIKUIAFKTLLM-UHFFFAOYSA-N 216.628 -0.484 50 20 BBGD CON(C)C(=O)[C@@H](C)NS(=O)(=O)CCl 859415341 QOSIWYMZGPKQPZ-RXMQYKEDSA-N 244.700 -0.490 50 20 BBGD CC(=O)NNC(=O)/C=C1/SCC(=O)N1C 873739468 DNXSMZBVIIIIPK-FPYGCLRLSA-N 229.261 -0.800 50 20 BBGD NC(=O)C1(NS(=O)(=O)CCCCl)CC1 881986243 YWSBPFMZZMLLAP-UHFFFAOYSA-N 240.712 -0.447 50 20 BBGD C[C@H](O)CN(C)NC(=O)[C@@H](C)N(C)C 910138559 BWRUOLSBBXQWDZ-JGVFFNPUSA-N 203.286 -0.720 50 20 BBGD Cc1cc(C(=O)NN(C)C[C@@H](C)O)n[nH]1 910170427 LDIBMHRYHFJOMG-SSDOTTSWSA-N 212.253 -0.324 50 20 BBGD CC(=O)NNC(=O)C(=O)Nc1ccc(C#N)cc1 1320234395 DSSPMVXSZTUSCB-UHFFFAOYSA-N 246.226 -0.336 50 20 BBGD CNC(=O)NNC(=O)c1cc(OC)n(C)n1 1320380803 FKNZZSPLMNRTPE-UHFFFAOYSA-N 227.224 -0.998 50 20 BBGD NC(=O)c1cc(C(=O)NNc2cccnn2)co1 1325407854 YSGDDMDCRSAXFG-UHFFFAOYSA-N 247.214 -0.075 50 20 BBGD CN(NC(=O)[C@@H]1CCC(=O)NC1)C1CC1 1326146386 JOKSOWVDFRYEMT-SSDOTTSWSA-N 211.265 -0.362 50 20 BBGD C=CCn1cc(C(=O)NNC(C)=O)nn1 1328561947 IGJSJPRGHYTASV-UHFFFAOYSA-N 209.209 -0.755 50 20 BBGD O=C(CCc1ccon1)NNc1nc[nH]n1 1334722383 AWNRRMZDIGRYBM-UHFFFAOYSA-N 222.208 -0.131 50 20 BBGD C/C=C/[C@H](O)C(=O)NNC(=O)[C@@H]1CCCNC1 1576913548 CLSBGYBIGHRRTB-DTBGECHCSA-N 241.291 -0.930 50 20 BBGD CC(=O)NNC(=O)[C@@H]1CC[C@H]1C(=O)O 1588515720 ZJCLILCJSDXQPS-PHDIDXHHSA-N 200.194 -0.736 50 20 BBGD C[C@@H](C(=O)O)C(=O)NNC(=O)C1CC1 1609700715 AZUYKYXLXRZJIQ-SCSAIBSYSA-N 200.194 -0.736 50 20 BBGD O=C(CO)NNC(=O)c1cc(F)c(O)c(F)c1 184155879 ZJVXMIXVJOJCKF-UHFFFAOYSA-N 246.169 -0.576 50 20 BBGD NC(=O)C(=O)NN=C[C@H]1C[C@H]2C=C[C@H]1C2 254733872 KMJNVKICEWNDHD-BIIVOSGPSA-N 207.233 -0.214 50 20 BBGD C#CCO[C@@H](C)C(=O)NNC(=S)NCC=C 294283251 HLJZBIJJDDLYPC-QMMMGPOBSA-N 241.316 -0.294 50 20 BBGD O=C(NCC1CC1)c1ccc(B(O)O)c(F)c1 584928342 JOVPVHKXELRLQI-UHFFFAOYSA-N 237.039 -0.355 50 20 BBGD CCc1cc(C(=O)N2CC[C@@H](B(O)O)C2)n[nH]1 585076113 LIVSEDLKIVOLEV-SSDOTTSWSA-N 237.068 -0.339 50 20 BBGD CCn1cc(C=NNC(=O)C(=O)NC2CC2)cn1 732528695 VKNZBANXEJBFDG-UHFFFAOYSA-N 249.274 -0.368 50 20 BBGD CC(C)OCC(=O)NNC(=O)CN(C)C 733359328 CYQPMBOUXKNUBM-UHFFFAOYSA-N 217.269 -0.880 50 20 BBGD COC1(C(=O)NNC(=O)CN(C)C)CCCC1 754206871 IXYBUBQCXSMKLA-UHFFFAOYSA-N 243.307 -0.345 50 20 BBGD CC(=O)NNC(=O)c1cc([N+](=O)[O-])cnc1N 757695104 DZCFLYTWEGMXSD-UHFFFAOYSA-N 239.191 -0.647 50 20 BBGD CC(C)(O)C(=O)NNC(=O)c1csnn1 768244938 PORDOKRJLPPRTA-UHFFFAOYSA-N 230.249 -0.930 50 20 BBGD CC(=O)NNC(=O)c1c[nH]nc1-c1cnn(C)c1 780155286 BLZFROXROCDZHE-UHFFFAOYSA-N 248.246 -0.409 50 20 BBGD COCC(=O)NN=C1C(=O)OC[C@H]1C 794918547 IZVHNVVKPVZNSV-RXMQYKEDSA-N 200.194 -0.702 50 20 BBGD CNC(=O)NNC(=O)[C@@H]1CCCCN1C(C)=O 795527013 IDWVFLOHNCSRAF-QMMMGPOBSA-N 242.279 -0.652 50 20 BBGD COCCN(C)NC(=O)[C@H]1C[C@@H](O)C1 822843128 HZNCCFLODSCNET-OCAPTIKFSA-N 202.254 -0.633 50 20 BBGD CCNC(=O)N(C)NC(=O)[C@@H]1C[C@]12CCNC2 831944670 FNORVJJBHHUILP-KWQFWETISA-N 240.307 -0.322 50 20 BBGD O=C1C[C@H](C(=O)NCC(Cl)Cl)N1 854451958 LOTUKZIEZUNDOM-GSVOUGTGSA-N 211.048 -0.205 50 20 BBGD CO[C@H](C)C(C)=NNC(=O)[C@@H]1CCC(=O)N1 863149002 OLRMCDAJGZMYPY-SFYZADRCSA-N 227.264 -0.208 50 20 BBGD COC(=O)NNC(=O)C1(N(C)C)CC1 863854566 SOYNZDDIFBADIX-UHFFFAOYSA-N 201.226 -0.532 50 20 BBGD CCNC(=O)NNC(=O)[C@H]1[C@H]2C(=O)CC[C@H]21 906417376 LJCRKDZIQYEOQX-LPBLVHEISA-N 225.248 -0.438 50 20 BBGD COC(=O)CCCC(=O)NN(C)C[C@@H](C)O 910152678 SRLIQNRRBCPKBV-MRVPVSSYSA-N 232.280 -0.327 50 20 BBGD CCOC(=O)NNC(=O)CN(C)C(=O)C1CC1 915695919 ALZXTUWHMBZNDU-UHFFFAOYSA-N 243.263 -0.368 50 20 BBGD COc1cc(C=NNC(=O)C(N)=O)ccc1F 1319467040 BEHHTQZLTOJQKT-UHFFFAOYSA-N 239.206 -0.230 50 20 BBGD CNC(=O)NNC(=O)c1cccc(F)n1 1325202667 HIHFCDJJXSBTDD-UHFFFAOYSA-N 212.184 -0.206 50 20 BBGD O=C(C[C@H]1CC(=O)N1)NNc1ccnc(F)c1 1328272129 JNONDGOFPMSEGG-SSDOTTSWSA-N 238.222 -0.058 50 20 BBGD C[C@@H](CO)N(C)NC(=O)C1CCOCC1 1329861351 HOOZIGXEJZLXQJ-QMMMGPOBSA-N 216.281 -0.243 50 20 BBGD C[C@H](O)CN(C)NC(=O)CCc1ccn(C)n1 1332629252 IITDCMAIHRQQHE-VIFPVBQESA-N 240.307 -0.304 50 20 BBGD O=C(CCO)NN=Cc1ccc(O)c(O)c1O 1339925572 REEFOBHQUCKBDR-UHFFFAOYSA-N 240.215 -0.364 50 20 BBGD COCc1cc(CN2CC[C@@H](B(O)O)C2)no1 1351729920 QSVDJJXFWWIDHH-MRVPVSSYSA-N 240.068 -0.130 50 20 BBGD Cc1ccc(C(=O)NNC(=O)CN(C)C)nc1 156432138 FJKNRNJYCVYBGG-UHFFFAOYSA-N 236.275 -0.287 50 20 BBGD COc1cc(C)sc1C(=O)NNC(=O)CO 180960568 GCWILEQHHNSFKL-UHFFFAOYSA-N 244.272 -0.182 50 20 BBGD CNC(=O)NNC(=O)C(F)(F)C(F)F 267229795 YWSYNOAPZMORJY-UHFFFAOYSA-N 217.122 -0.153 50 20 BBGD CN(NC(=O)C1SCCS1)C(N)=O 272229999 VMMAGMKXZFOEJU-UHFFFAOYSA-N 221.307 -0.166 50 20 BBGD O=C1NC(=O)[C@@H]2CCN(C(=O)CCCl)C[C@@H]12 409426762 GDIKUNCOGAIPSD-RNFRBKRXSA-N 244.678 -0.264 50 20 BBGD O=C(NC1CCC1)c1cccc(B(O)O)c1 584945141 VUHBQUFWXACNLU-UHFFFAOYSA-N 219.049 -0.351 50 20 BBGD O=C(c1cccc(B(O)O)c1)N1CC=CCC1 584971898 HNNGADMRJOJJGU-UHFFFAOYSA-N 231.060 -0.232 50 20 BBGD OC[C@H](CNCc1ccc(B(O)O)cc1)C1CC1 585041670 SCCGPAPPZBWGMQ-LBPRGKRZSA-N 249.119 -0.526 50 20 BBGD O=C(Cc1cccnc1)NNC(=O)c1cnc[nH]1 728982336 YTWPDJGRHHDINV-UHFFFAOYSA-N 245.242 -0.192 50 20 BBGD CCNC(=O)N(C)NC(=O)[C@H]1CCCN1C 768409744 KZHUXVMNBRZQFR-MRVPVSSYSA-N 228.296 -0.227 50 20 BBGD CC(C)(O)C(=O)NNC1=N[C@H]2C=C[C@H]1C2 785459727 AHSSFFWXUPFLIF-BQBZGAKWSA-N 209.249 -0.265 50 20 BBGD O=C(CC1OCCO1)NN=c1cc[nH]cc1 793788972 YYUMWLNWAHLJOB-UHFFFAOYSA-N 223.232 -0.290 50 20 BBGD C[C@@H]1C(=O)CC[C@H]1CC(=O)NNC(=O)CO 795237386 CRMGKZKEXKNGIY-BQBZGAKWSA-N 228.248 -0.869 50 20 BBGD CC(C)(C(=O)NNC(=O)CO)C1CCOCC1 795238535 KTONTNCIITYPTG-UHFFFAOYSA-N 244.291 -0.421 50 20 BBGD COC(OC)C(=O)NN=c1cc[nH]cc1 821788057 DHDMRCAHHZJXGX-UHFFFAOYSA-N 211.221 -0.435 50 20 BBGD CC(C)(C)C(=O)NNC(=O)[C@H]1CCNC1=O 822252956 PXBYOMVYNJQULL-LURJTMIESA-N 227.264 -0.684 50 20 BBGD CCN(CCO)NC(=O)c1nccn1CC 823878919 AASREKBRVJOXNI-UHFFFAOYSA-N 226.280 -0.138 50 20 BBGD CCC1(C(=O)NN(C)[C@@H](C)CO)COC1 823947232 UVACZOFYPNBSCX-QMMMGPOBSA-N 216.281 -0.243 50 20 BBGD CC(C)NC(=O)NNC(=O)[C@@H](O)C1CC1 824403985 IMNUXYVNBWZOTP-ZETCQYMHSA-N 215.253 -0.504 50 20 BBGD CCOCC(=O)NNC(=O)N[C@H](C)C[C@@H](C)N 831212150 MCWLZCQVFLLYKV-HTQZYQBOSA-N 246.311 -0.521 50 20 BBGD O=C(NNC(=O)C1CSC1)c1cc[nH]n1 869238176 FBPCYTIGXNRPTH-UHFFFAOYSA-N 226.261 -0.466 50 20 BBGD COCCN(C)NC(=O)[C@@H]1CCCC(=O)N1C 908115994 VHOQNLZHMKDOLT-VIFPVBQESA-N 243.307 -0.393 50 20 BBGD COc1ncc(C(=O)NN(C)C[C@H](C)O)cn1 910168704 VBWBNKCJZZHPIG-ZETCQYMHSA-N 240.263 -0.557 50 20 BBGD CC(=O)NNC(=O)COCC(F)(F)F 920430026 FKVXXNDNBSIDAW-UHFFFAOYSA-N 214.143 -0.267 50 20 BBGD COC(=O)C(=O)NNC(=O)NCC1(C)CC1 1322419461 TWHTZHLGQVIGHJ-UHFFFAOYSA-N 229.236 -0.710 50 20 BBGD CC(=NNC(=O)CS(C)(=O)=O)c1ncc[nH]1 1334654314 RESHZCTUJYXUBS-UHFFFAOYSA-N 244.276 -0.706 50 20 BBGD C[C@@H]1C[C@@H](C(=O)NNC(=O)CO)CCC1=O 1342320006 KALZUCPPDVGLSQ-RQJHMYQMSA-N 228.248 -0.869 50 20 BBGD CN(NC(=O)CC1(O)CCCC1)C(N)=O 181071051 MSBWRBGYANMADK-UHFFFAOYSA-N 215.253 -0.277 50 20 BBGD COC(=O)N(C)NC(=O)C1(C)COC1 286350147 MKZPLKQSJACILJ-UHFFFAOYSA-N 202.210 -0.248 50 20 BBGD CC(=O)NNC(=O)c1ccc(N)c([N+](=O)[O-])c1 301325231 TXNOLYMUJDXZOL-UHFFFAOYSA-N 238.203 -0.042 50 20 BBGD NCCC(=O)NNc1nncc(N)c1Cl 309607001 LMJXXDGKSXYPCS-UHFFFAOYSA-N 230.659 -0.496 50 20 BBGD C/C=C/C[C@H](CO)NCc1ccccc1B(O)O 585036721 PJGUVGZRBBNJFX-QAVQXKDTSA-N 249.119 -0.217 50 20 BBGD CN1CCC[C@@H](NS(=O)(=O)CCl)C1=O 704344106 JRQRADGNDLRRBA-ZCFIWIBFSA-N 240.712 -0.277 50 20 BBGD O=S(=O)(CCl)N1C[C@@H](CO)[C@H](CO)C1 705325064 UUBDKYIIWNTVFY-BQBZGAKWSA-N 243.712 -0.955 50 20 BBGD O=C(NNC(=O)[C@@H]1C[C@H]1C(=O)O)C1CC1 739453049 BCFDQXWRNMIBBH-PHDIDXHHSA-N 212.205 -0.736 50 20 BBGD CN(NC(=O)[C@]1(C)CCOC1)C(N)=O 755704774 ASGVHLHPUYBQBV-MRVPVSSYSA-N 201.226 -0.545 50 20 BBGD C#CCNC(=S)NNC(=O)CCN(C)C 758175662 MYUGBMNIVSNDKL-UHFFFAOYSA-N 228.321 -0.933 50 20 BBGD C[C@@H](O)C(=O)NNC(=O)c1ccc(C#N)cc1 786849958 YMVQUXXXZVYHKV-SSDOTTSWSA-N 233.227 -0.300 50 20 BBGD CNC(=O)NNC(=O)CC1(OC)CCC1 790490082 KZDZZDGKRKRFLQ-UHFFFAOYSA-N 215.253 -0.094 50 20 BBGD CCN(CCO)NC(=O)[C@H](C)NC(=O)OC 823869865 QZNSLSUCUWCMHV-ZETCQYMHSA-N 233.268 -0.924 50 20 BBGD CCNC(=O)N(C)NC(=O)C[C@@H](C)N 831944655 DYTHTVCPJIXUMB-ZCFIWIBFSA-N 202.258 -0.584 50 20 BBGD C#CCCCC(=O)NNC(=O)c1ncon1 832826402 YVCDZHYSFPTZIF-UHFFFAOYSA-N 222.204 -0.366 50 20 BBGD CN(C)C(=O)NN=Cc1c(C(=O)O)cnn1C 848404317 OYJMFVGXCCNUJM-UHFFFAOYSA-N 239.235 -0.277 50 20 BBGD CC[C@H](NC(C)=O)C(=O)NNc1cccnn1 867356479 UWBXWWBMYYOUQE-QMMMGPOBSA-N 237.263 -0.166 50 20 BBGD CCOC(C)(C)C(=O)NNC(=O)C(C)(C)O 867672810 VUNJUWFDKRPZDO-UHFFFAOYSA-N 232.280 -0.280 50 20 BBGD O=C(CO)NNC(=O)c1cnn(C2CCC2)c1 897605620 GQEFZCOBGZLNPM-UHFFFAOYSA-N 238.247 -0.639 50 20 BBGD CC(C)(C)C(=O)NNC(=O)CN1CC[C@@H]1CO 934015963 DFBJANRDUYRIJZ-MRVPVSSYSA-N 243.307 -0.754 50 20 BBGD CC(C)C(=O)NNC(=O)[C@H]1CCC(=O)NC1 1115851555 CGKFTRSEFFMVCP-ZETCQYMHSA-N 227.264 -0.684 50 20 BBGD CCNC(=O)N(C)NC(=O)c1cnns1 1254045869 AUJIYYNFNAWYMF-UHFFFAOYSA-N 229.265 -0.156 50 20 BBGD CNC(=O)NNC(=O)c1cn(C(C)(C)C)nn1 1324496071 NGPPNNIZAHKROW-UHFFFAOYSA-N 240.267 -0.393 50 20 BBGD CC(=O)NNC(=O)[C@@H]1CCc2c[nH]nc2C1 1324631232 YELRFPSTECHWPE-SSDOTTSWSA-N 222.248 -0.318 50 20 BBGD C/C=C\C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 1331922352 IFKYOZJRNXHVFQ-SKRYNEFJSA-N 246.288 -0.855 50 20 BBGD C[C@]1(C(=O)NNC(=O)NC2CC2)CCOC1 1337753704 UBDYWTQLZKECCT-JTQLQIEISA-N 227.264 -0.094 50 20 BBGD CCN(C(=O)CCl)[C@@H]1CC(=O)NC1=O 1341510004 WWDYHBHRDODBMB-RXMQYKEDSA-N 218.640 -0.511 50 20 BBGD COc1nccnc1NNC(=O)c1cn(C)nn1 1343353959 QPOKDJIDXYUZEP-UHFFFAOYSA-N 249.234 -0.629 50 20 BBGD COCCCNC(=O)NNC(=O)[C@H]1C[C@@H]1F 1347395497 PWHYCQBDOAFUGG-BQBZGAKWSA-N 233.243 -0.289 50 20 BBGD O=C(NNC(=O)[C@@H]1C[C@@H]1F)c1ncccn1 1349631836 DQZZVIUQPZUVHO-RITPCOANSA-N 224.195 -0.404 50 20 BBGD CN(C)CC(=O)NNC(=O)CCCCC(=O)O 1593691891 FBTWGGWTAAZOEO-UHFFFAOYSA-N 245.279 -0.660 50 20 BBGD CSCCCCNC(=O)NNC(=O)C(=O)O 1599798992 IZBQZTDQEYIZOK-UHFFFAOYSA-N 249.292 -0.455 50 20 BBGD CN(C)CC(=O)NNC(=O)c1cccc(F)n1 270748202 ZTSOGNPNVCZKJQ-UHFFFAOYSA-N 240.238 -0.457 50 20 BBGD CCOC(=O)NCC(=O)NNC(=O)CC1CC1 294139587 LOZGJIXDGRHRKP-UHFFFAOYSA-N 243.263 -0.320 50 20 BBGD COC(C)(C)C(=O)Nc1cccc(B(O)O)c1 404936236 DTZCNORGMPVBEM-UHFFFAOYSA-N 237.064 -0.270 50 20 BBGD O=C(NCB(O)O)[C@H]1CCc2ccccc2C1 585062648 LKPLFQJKIYTOJF-NSHDSACASA-N 233.076 -0.080 50 20 BBGD O=C(CCN1CCCC1=O)NNc1ncccn1 727724001 MDNJWHWBKUQJFQ-UHFFFAOYSA-N 249.274 -0.068 50 20 BBGD C#Cc1ccc(C(=O)NNC(C)=O)nc1 728958346 FUMDZEGHLZGBIJ-UHFFFAOYSA-N 203.201 -0.156 50 20 BBGD CC(=O)N[C@H](C)C(=O)NNC(=O)NC(C)C 745146453 VEUJLTQCBXNJIP-ZCFIWIBFSA-N 230.268 -0.750 50 20 BBGD COCCCNC(=O)NNC(=O)[C@H](C)C#N 746167072 NNMBTEUQZAAXLK-SSDOTTSWSA-N 228.252 -0.487 50 20 BBGD O=C(CCn1cncn1)NN=c1cc[nH]cc1 780755231 NDCIBMFVSWMREN-UHFFFAOYSA-N 232.247 -0.372 50 20 BBGD C[C@@H]1C[C@@H](C)[C@@H](C(=O)NN(C)C(N)=O)O1 800527396 RJWBPKLYYBFNOF-QYNIQEEDSA-N 215.253 -0.158 50 20 BBGD NC(=O)C1(C(=O)NNC(=O)CC2CC2)CCC1 819144665 RWCFUKTZJCEXGW-UHFFFAOYSA-N 239.275 -0.411 50 20 BBGD CCN(CCO)NC(=O)[C@@H]1CC(=O)N(CC)C1 823847022 QLVIOIHCKKJHTQ-SECBINFHSA-N 243.307 -0.800 50 20 BBGD CC(=O)NNC(=O)[C@H]1CCc2cnc(C)n2C1 845071477 DJNITHNCIXDDKI-VIFPVBQESA-N 236.275 -0.079 50 20 BBGD COCCN(C)NC(=O)CNC(=O)C1CC1 848378011 ZIWVGGAMQUDCBY-UHFFFAOYSA-N 229.280 -0.878 50 20 BBGD COCC(=O)NNC(=S)NCC1CC1 849259865 OGHGHDUSTKLXQK-UHFFFAOYSA-N 217.294 -0.462 50 20 BBGD CNC(=S)N(C)NC(=O)[C@@H]1CO[C@H](C)C1 854919766 FADZHWMRDBZRDG-RQJHMYQMSA-N 231.321 -0.121 50 20 BBGD C[C@@H]1O[C@H](C)CC1=NNC(=O)[C@H]1CCC(=O)N1 863149557 BZVAJQBGXFKAQQ-GJMOJQLCSA-N 239.275 -0.066 50 20 BBGD O=C(NN=C1COCCOC1)c1cn[nH]c1 863154254 TTWGBCXAKMDEAH-UHFFFAOYSA-N 224.220 -0.458 50 20 BBGD CCN(CCO)NC(=O)Cc1cnc[nH]1 911438868 KOILRLVZMZQYDK-UHFFFAOYSA-N 212.253 -0.702 50 20 BBGD CCCNC(=O)NNC(=O)Cn1cc(C)cn1 921038609 VXZDQXDFOWDITL-UHFFFAOYSA-N 239.279 -0.068 50 20 BBGD CC[C@@H](F)C(=O)NNC(=O)COCCOC 1336026467 YCYBSAHVQBGLSY-SSDOTTSWSA-N 236.243 -0.455 50 20 BBGD C[C@@H](C(=O)O)C(=O)NNC(=O)NCC1CC1 1588573636 GZCPQKWYMXLJIW-RXMQYKEDSA-N 229.236 -0.553 50 20 BBGD O=C(CO)NNC(=O)c1cccc([N+](=O)[O-])c1 11638912 KMOCDVSTGLORFG-UHFFFAOYSA-N 239.187 -0.652 50 20 BBGD O=C(CO)NNC(=O)c1cccc(F)c1F 180965585 YFJGAUGFDGHOIS-UHFFFAOYSA-N 230.170 -0.282 50 20 BBGD CN(C)CC(=O)NNC(=O)C(C)(Cl)Cl 181887150 MYHLKGIBPDOSGC-UHFFFAOYSA-N 242.106 -0.111 50 20 BBGD COc1cc(C)nc(NNC(=O)[C@H](C)CN)n1 285775296 MJHCLXGZOOPWCW-ZCFIWIBFSA-N 239.279 -0.168 50 20 BBGD O=C(NNC(=O)[C@@H]1CCCO1)c1ccncn1 294688641 QBSBEYHQLZOKCK-QMMMGPOBSA-N 236.231 -0.583 50 20 BBGD CCOC(=O)NNC(=O)[C@@H]1CN(CC)CCO1 363175484 VGGYQBBHFZXZFB-QMMMGPOBSA-N 245.279 -0.516 50 20 BBGD COC[C@@](C)(O)CNS(=O)(=O)CCl 382551878 GIFKZUQYAOJVKO-LURJTMIESA-N 231.701 -0.501 50 20 BBGD CCO/C=C(\C#N)C(=O)N[C@@H]1COC[C@H]1OC 491107479 VNEVVFWXNXWHFF-STFJZOTBSA-N 240.259 -0.040 50 20 BBGD COC(=O)N[C@@H](C)C(=O)NN(C)C1CC1 496890857 GCNNGXCFFBTXMM-LURJTMIESA-N 215.253 -0.144 50 20 BBGD OB(O)c1ccc(CN[C@H]2CC[C@H](O)CC2)o1 585031254 BNUZNCDONGFYGU-KYZUINATSA-N 239.080 -0.648 50 20 BBGD COc1ccnc(C(=O)NNC(C)=O)c1 734867424 MWYANWMPLPFPJL-UHFFFAOYSA-N 209.205 -0.129 50 20 BBGD CC(C)(NC(=O)O)C(=O)NNC(=O)C1CC1 736337520 SURGAQCSMKECNP-UHFFFAOYSA-N 229.236 -0.410 50 20 BBGD O=C(CO)NNC(=O)CCc1ccccc1F 753444965 SKXQXYBCNBFYIJ-UHFFFAOYSA-N 240.234 -0.102 50 20 BBGD CN1CC[C@H](C(=O)NN=c2cc[nH]cc2)C1=O 773718764 GBLOARQHFZDHCU-SECBINFHSA-N 234.259 -0.575 50 20 BBGD Cc1cccc(C(=O)NNC(=O)CO)n1 777781041 FKNNAYGPWKJSTN-UHFFFAOYSA-N 209.205 -0.857 50 20 BBGD CN(NC(=O)c1n[nH]c2c1CCCC2)C(N)=O 778418884 VITNUZSDNPJVMF-UHFFFAOYSA-N 237.263 -0.056 50 20 BBGD COCCC1(C(=O)NNC(=O)C(C)(C)O)CC1 787947232 NEVZRYJOYQPRHT-UHFFFAOYSA-N 244.291 -0.279 50 20 BBGD C#CCOCCC(=O)NNC(=S)NCC=C 798306202 ATUPUXMKHZIHSW-UHFFFAOYSA-N 241.316 -0.292 50 20 BBGD CC[C@@H](C)C(=O)NNC(=O)C(=O)NC(C)C 818025295 DZRVTGDQAZAEHM-SSDOTTSWSA-N 229.280 -0.296 50 20 BBGD C=CCNC(=S)NNC(=O)[C@H](C)CC(=O)O 825692369 ROAXBWDETOXWQQ-ZCFIWIBFSA-N 245.304 -0.222 50 20 BBGD CCNC(=O)NNC(=O)[C@@H](NC=O)C(C)C 858781259 AHJKFLIHOCHTSK-ZETCQYMHSA-N 230.268 -0.893 50 20 BBGD COC(=O)C[C@@H](C)C(=O)NN(C)C[C@H](C)O 910165045 DTRFDWCTWHTJEU-SFYZADRCSA-N 232.280 -0.471 50 20 BBGD C[C@H](O)CN(C)NC(=O)c1ccn(C)c1 910167259 SBELSXRBSMUNQH-QMMMGPOBSA-N 211.265 -0.018 50 20 BBGD N#CCCCNC(=O)NNC(=O)c1cn[nH]c1 1118863468 RVHBTZQLLYDIOA-UHFFFAOYSA-N 236.235 -0.343 50 20 BBGD O=C1CC[C@@H](C(=O)NN=CC2CCOCC2)N1 1118948488 APCPZAOMKLCOTK-VIFPVBQESA-N 239.275 -0.206 50 20 BBGD Cn1cc([C@H](O)C(=O)NNc2cccnn2)cn1 1329617782 QSWWAFZZVNIOMO-VIFPVBQESA-N 248.246 -0.613 50 20 BBGD CCOc1cc(C(=O)NNC(=O)N(C)C)[nH]n1 1330237167 LVVJWXWUTKLILG-UHFFFAOYSA-N 241.251 -0.276 50 20 BBGD CN(C)C(=O)NNC(=O)CCCn1cncn1 1334734383 GKRRMQITKCNCBC-UHFFFAOYSA-N 240.267 -0.639 50 20 BBGD CON=CC(=O)NNc1ncncc1F 1343996578 DOHMEXHIRKBSJA-UHFFFAOYSA-N 213.172 -0.309 50 20 BBGD CCNC(=O)N(C)NC(=O)c1[nH]c(O)nc1C 1346465186 XXTDIGKYGYYXGU-UHFFFAOYSA-N 241.251 -0.270 50 20 BBGD O=C(NNc1nc[nH]n1)[C@]12C[C@H]1CCCN2 1580743229 VKVMEPOKXQOFKM-MUWHJKNJSA-N 222.252 -0.610 50 20 BBGD CNC(=O)NNC(=O)[C@@]1(C(=O)O)CC=CCC1 1604241540 ZHLVNBQLCJZSBP-SNVBAGLBSA-N 241.247 -0.242 50 20 BBGD CC(=O)NNC(=O)[C@@H](C)NC(=O)C(C)(C)C 31591246 MOLQMKNDRLSYEY-ZCFIWIBFSA-N 229.280 -0.296 50 20 BBGD Cn1cc(C(=O)NNC(=O)NCC2CC2)cn1 49166777 NMJBFWRFLCQIJO-UHFFFAOYSA-N 237.263 -0.226 50 20 BBGD C[C@H](O)CCNS(=O)(=O)CCl 82998232 FNXGWJVCCHMHEQ-YFKPBYRVSA-N 201.675 -0.127 50 20 BBGD COC(=O)NCCC(=O)NNC(=O)C1CCC1 491329195 LGAFCMRBYWIJAU-UHFFFAOYSA-N 243.263 -0.320 50 20 BBGD O=C(NCCCF)c1ccc(B(O)O)c(F)c1 584962900 LZPSENQCZLQONX-UHFFFAOYSA-N 243.018 -0.405 50 20 BBGD CC#CCN(C)C(=O)c1ccc(B(O)O)cc1 584995187 ROZMJRHQVLPBKW-UHFFFAOYSA-N 231.060 -0.538 50 20 BBGD C#CCNC(=S)NNC(=O)N1CCOCC1 758213493 AIGOKVXGICIMIT-UHFFFAOYSA-N 242.304 -0.960 50 20 BBGD CC(=O)NNC(=O)c1cnc(C2CC2)nc1N 806307630 GHWBGECSRAJYFU-UHFFFAOYSA-N 235.247 -0.283 50 20 BBGD CC[C@@]1(C(=O)NN(C)[C@H](C)CO)CCNC1=O 823901772 GSRSCRAZUGHTQT-LDYMZIIASA-N 243.307 -0.754 50 20 BBGD C[C@H](CO)N(C)NC(=O)c1c[nH]c(C#N)c1 823940510 YNBJJWYRTAKRFS-SSDOTTSWSA-N 222.248 -0.156 50 20 BBGD CC[C@H](C(=O)NN(C)[C@H](C)CO)N(C)C 823945946 ATSLPXSQDRPRPF-RKDXNWHRSA-N 217.313 -0.330 50 20 BBGD Cc1cc(C(=O)NN(C)[C@H](C)CO)no1 823988257 QQDXCNLTSKEWGO-ZCFIWIBFSA-N 213.237 -0.060 50 20 BBGD C=CCNC(=S)NNC(=O)[C@H](C)NC(=O)O 833376880 TVZLJVLJZUXKLW-YFKPBYRVSA-N 246.292 -0.676 50 20 BBGD C[C@H](NC(=O)O)C(=O)NNC(=O)C(C)(C)C 833739708 OQWVSWLSSDRIRR-YFKPBYRVSA-N 231.252 -0.164 50 20 BBGD CC[C@H](NC)C(=O)NNc1ncccn1 852787864 QAYGNZYOMGTYAY-ZETCQYMHSA-N 209.253 -0.082 50 20 BBGD CCC/C=C/C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862449684 IZPAHLWSGKSHPD-ZJELKQJVSA-N 239.275 -0.231 50 20 BBGD CS[C@H](C)C(=O)NNC(=O)[C@H]1CCC(=O)N1 862450897 CYYLUHVYHDTFSO-PHDIDXHHSA-N 245.304 -0.836 50 20 BBGD CCOCCONC(=O)NN(C)C(=O)OC 875504576 SKCSKMHGPVHKTI-UHFFFAOYSA-N 235.240 -0.133 50 20 BBGD COC/C(C)=C/C(=O)NN(C)C[C@H](C)O 910140498 IMMCXOXHOUDFGV-QRJSTWQJSA-N 216.281 -0.077 50 20 BBGD C#CCCCC(=O)NNC(=O)[C@H]1CCC(=O)N1 1118970056 MHXIWRHQMRIXKH-MRVPVSSYSA-N 237.259 -0.784 50 20 BBGD C[C@@H](CO)N(C)NC(=O)[C@@]1(F)CCOC1 1119105868 XQJCELNCNGIKSO-IONNQARKSA-N 220.244 -0.541 50 20 BBGD CNC(=S)NNC(=O)C1CCOCC1 1119554251 CRFOPXQCPSKAEY-UHFFFAOYSA-N 217.294 -0.462 50 20 BBGD C[C@@H](O)CN(C)NC(=O)CNC(C)(C)C 1119646023 YOHBWFWZNVWAOT-MRVPVSSYSA-N 217.313 -0.282 50 20 BBGD Cc1ccc(C=NNC(=O)C(N)=O)cn1 1254918903 HNZWZQWZWHHVCX-UHFFFAOYSA-N 206.205 -0.675 50 20 BBGD Cc1nc(C)c(C(=O)NNc2cnnn2C)[nH]1 1329009941 WNEINMBPKJPJDQ-UHFFFAOYSA-N 235.251 -0.088 50 20 BBGD CC1(NC(=O)c2cccc(B(O)O)c2)CC1 1335512194 MBTYRFDGBLXIKD-UHFFFAOYSA-N 219.049 -0.351 50 20 BBGD C[C@H](O)CN(C)NC(=O)CO[C@@H]1CCOC1 1354062244 YGGVKAWVEONNQJ-DTWKUNHWSA-N 232.280 -0.864 50 20 BBGD COC(=O)N(C)NC(=O)C1(C(=O)O)CC1 1610188178 POYSKBCZEWNWFN-UHFFFAOYSA-N 216.193 -0.419 50 20 BBGD Cn1nccc1C(=O)NNC(=O)c1ccncc1 195427157 IEMOLGUTNCCGJQ-UHFFFAOYSA-N 245.242 -0.110 50 20 BBGD N#CC(C#N)=Cc1cn(CC(=O)O)nn1 393621863 WCCDNYNMOIYAAX-UHFFFAOYSA-N 203.161 -0.207 50 20 BBGD N#CC1(NC(=O)c2ccc(B(O)O)c(F)c2)CC1 584947184 IEXPOWQIQNWDNR-UHFFFAOYSA-N 248.022 -0.709 50 20 BBGD CC(C)C[C@H](O)CNCc1ccc(B(O)O)o1 585025461 UXDCDTACAVHDHG-VIFPVBQESA-N 241.096 -0.544 50 20 BBGD CCO[C@@H]1C[C@H]1NCc1cccc(B(O)O)c1 585038351 AZZJACMHDGTUTJ-VXGBXAGGSA-N 235.092 -0.367 50 20 BBGD CCOc1ccc(C(=O)NCB(O)O)cc1 585057046 JDDIVDAZEQGDIY-UHFFFAOYSA-N 223.037 -0.173 50 20 BBGD CCO[C@@H](C(=O)N1CC[C@H](B(O)O)C1)C1CC1 585067605 SYSILOKMZQBENG-VHSXEESVSA-N 241.096 -0.123 50 20 BBGD Cn1ccc(C(=O)NNC(=O)c2ccncc2)n1 727362803 FNMWRKZYXBBRBJ-UHFFFAOYSA-N 245.242 -0.110 50 20 BBGD CNC(=O)NNC(=O)[C@@H]1CCCN1C 733870613 USKCDDMWZBOUTQ-LURJTMIESA-N 200.242 -0.959 50 20 BBGD Cc1n[nH]cc1C(=O)NNC(=O)c1cnc[nH]1 735516215 KLMWBXCUCBBWMN-UHFFFAOYSA-N 234.219 -0.484 50 20 BBGD O=C(O)NCCC(=O)NNC(=O)NCC1CC1 739937597 AVDAWKXSVVBMFV-UHFFFAOYSA-N 244.251 -0.616 50 20 BBGD CCN(C)C(=O)CNC(=O)NNC(=O)C(C)C 773648051 JYIYCFWFLGIUJV-UHFFFAOYSA-N 244.295 -0.549 50 20 BBGD C[C@H](O)CN(C)NC(=O)c1cc(=O)cc[nH]1 822555816 BDSDLRSOBYTLKG-ZETCQYMHSA-N 225.248 -0.668 50 20 BBGD Cc1ccnn1CC(=O)NN(C)[C@@H](C)CO 823908542 XWLPPZZJUHTZTF-VIFPVBQESA-N 226.280 -0.465 50 20 BBGD C[C@@H](CO)N(C)NC(=O)CCN1CCCC1=O 823959133 BQMOBSOZBLJZQE-VIFPVBQESA-N 243.307 -0.657 50 20 BBGD COC(=O)NC(C)(C)C(=O)NN(C)[C@@H](C)CO 823959478 JIQXKYQVSGXHKO-ZETCQYMHSA-N 247.295 -0.535 50 20 BBGD CN(NC(=O)Nc1cnnn1C)C1CC1 824326252 QPXIFCVCZWKPLM-UHFFFAOYSA-N 210.241 -0.054 50 20 BBGD CC[C@@H]1CCC[C@H]1C(=O)NNC(=O)CO 827893310 AXPCYZJBUHTPKO-HTQZYQBOSA-N 214.265 -0.048 50 20 BBGD C[C@@H](CCO)N(C)CC(=O)NNC(=O)C1CC1 844448509 FUEZXNHTRJLBHM-QMMMGPOBSA-N 243.307 -0.754 50 20 BBGD Cn1ncnc1C(=O)NNC(=O)C(C)(C)C 853797933 ISWKTDHNVHSPNA-UHFFFAOYSA-N 225.252 -0.378 50 20 BBGD CC[C@@H](CO)C(=O)NNC(=O)c1cc[nH]n1 855357074 ZNBHFORGXCOAOM-LURJTMIESA-N 226.236 -0.811 50 20 BBGD CCCNC(=O)NNC(=O)[C@@H](NC=O)C(C)C 858809408 XDYFJNUUNWNZPV-QMMMGPOBSA-N 244.295 -0.503 50 20 BBGD CCOCCC=NNC(=O)[C@@H]1CCC(=O)N1 863150927 AJMAGYMNRDXJMV-QMMMGPOBSA-N 227.264 -0.206 50 20 BBGD CCCn1cc(C=NNC(=O)NC)nn1 872344917 KKFHMOATLVEOAQ-UHFFFAOYSA-N 210.241 -0.049 50 20 BBGD CC(=O)NNC(=O)[C@H](C)NC(=O)c1ccccc1 913173218 HFWNWSYOQDJOTL-QMMMGPOBSA-N 249.270 -0.028 50 20 BBGD CC(C[C@@H]1CCC(=O)N1)=NNC(=O)CCO 1117646323 BSOHPJOIGNXZDJ-QMMMGPOBSA-N 227.264 -0.470 50 20 BBGD Cn1cnc(C(=O)NNC(=O)c2cccnc2)n1 1324145316 LRFHZGXPCRGGBX-UHFFFAOYSA-N 246.230 -0.715 50 20 BBGD O=C(NNC(=O)[C@@H]1C[C@H]1F)c1cn[nH]c1 1337617403 LMTLXQWIDVNUOQ-PHDIDXHHSA-N 212.184 -0.471 50 20 BBGD CC(=O)NNS(=O)(=O)c1ccc(C(=O)O)o1 1589149774 DMEYWZLNLGHQFF-UHFFFAOYSA-N 248.216 -0.693 50 20 BBGD CC(C)NC(=S)NNC(=O)[C@H]1C[C@H]1C(=O)O 1591660844 MJZVAZCNCOWRRI-NTSWFWBYSA-N 245.304 -0.389 50 20 BBGD Cn1cccc1C=NNC(=O)NCC(=O)O 1600980019 GPRDKCKQJUQRMB-UHFFFAOYSA-N 224.220 -0.257 50 20 BBGD CC[C@H](C(=O)NNC(=O)NC)N(C)C 268772222 MEUADXABCJWKND-ZCFIWIBFSA-N 202.258 -0.713 50 20 BBGD CNC(=O)NNC(=O)C(C)(C)COC 270122391 VUGLAIUSNYHFNO-UHFFFAOYSA-N 203.242 -0.381 50 20 BBGD CC[C@](C)(OC)C(=O)NN(C)C(N)=O 280397317 IBOWNXNMKFYXJR-QMMMGPOBSA-N 203.242 -0.157 50 20 BBGD CC[C@@H](OC)C(=O)NNC(=O)N(C)C 299345598 FWSUSONBPBNZNU-ZCFIWIBFSA-N 203.242 -0.286 50 20 BBGD CC(C)[C@H](NC(=O)O)C(=O)NNC(=O)C1CC1 736373881 HDLHRKNVAIOOKA-ZETCQYMHSA-N 243.263 -0.164 50 20 BBGD O=C(O)[C@H]1C[C@H]1C(=O)NNc1ncccn1 739548623 PTBNFPLFZFCODB-RITPCOANSA-N 222.204 -0.360 50 20 BBGD C[C@@H]1C[C@H]1C(=O)NNC(=O)c1ncccn1 743339317 LLUPQWPBOHJPIO-RNFRBKRXSA-N 220.232 -0.106 50 20 BBGD CN(CCO)CC(=O)NNC(=O)C(C)(C)C 744388920 ZZOMIJYXTOTXOP-UHFFFAOYSA-N 231.296 -0.896 50 20 BBGD NC(=O)C(=O)NN=Cc1c(O)cccc1Cl 755491798 QEZWLLUSKYMLQQ-UHFFFAOYSA-N 241.634 -0.019 50 20 BBGD CN(C)CC(=O)NNC(=O)c1ncccc1F 857108384 FDROWTGOADMNRB-UHFFFAOYSA-N 240.238 -0.457 50 20 BBGD O=C(CN1CC[C@H](CF)C1)NNC(=O)C1CC1 880297826 ULVDYPMSCLWSMR-MRVPVSSYSA-N 243.282 -0.165 50 20 BBGD Cn1nncc1NNC(=O)COC(F)F 1118769626 DJAMRPSHGZCPIA-UHFFFAOYSA-N 221.167 -0.503 50 20 BBGD O=S(=O)(CCl)NC1CC(CO)(CO)C1 1260938396 UBAQHKIBLJCZEC-UHFFFAOYSA-N 243.712 -0.765 50 20 BBGD CC(=O)N[C@@H](C)C(=O)NNc1cccnn1 1323744838 PGUIQXNUGIKPBQ-LURJTMIESA-N 223.236 -0.556 50 20 BBGD CC1CC(C#N)(C(=O)NNC(=O)[C@@H]2CCN2)C1 1576582596 LAHOOZGRULPNFZ-KAIZJQOQSA-N 236.275 -0.564 50 20 BBGD Cn1ncc(C2CC2)c1C=NNC(=O)C(=O)O 1601026584 FYCSONNOBKNNTM-UHFFFAOYSA-N 236.231 -0.168 50 20 BBGD CCNC(=O)N(C)NC(=O)CCOC 272691450 QMZQYTKLKCQOAQ-UHFFFAOYSA-N 203.242 -0.285 50 20 BBGD O=C(NCB(O)O)c1ccn(-c2ccccc2)n1 585063056 YRCFEMFCVRMXPI-UHFFFAOYSA-N 245.047 -0.386 50 20 BBGD O=C(NNC(=O)c1ccc[nH]1)c1cncnc1 760618164 ACUXYQSLQYTBJD-UHFFFAOYSA-N 231.215 -0.121 50 20 BBGD CCC(=O)NNC(=O)[C@H](C)N1C[C@@H](C)[C@@H](O)C1 768765760 GYLFEXNEXLMORT-VGMNWLOBSA-N 243.307 -0.755 50 20 BBGD CC(=O)NNC(=O)c1cccc2nn[nH]c12 783510614 PXIITHSHLWTCHP-UHFFFAOYSA-N 219.204 -0.261 50 20 BBGD NC(=O)C(=O)NN=C1CCCC[C@@H]1CCCO 814695663 LVDHLZYVHZRAIJ-MRVPVSSYSA-N 241.291 -0.093 50 20 BBGD C#CCNC(=O)NNC(=O)[C@@H]1CCCCO1 820209085 UHGYKTTZKKOYLE-QMMMGPOBSA-N 225.248 -0.481 50 20 BBGD O=C(NNC(=O)C1CC(F)(F)C1)c1ncon1 832825752 GIHBCXAJYAOBPJ-UHFFFAOYSA-N 246.173 -0.124 50 20 BBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)C(F)F 843975697 OJAHZGCBFVWDKM-CRCLSJGQSA-N 222.191 -0.176 50 20 BBGD CN(CC(F)F)C(=O)c1ccc(B(O)O)cc1 863874190 OEVNVEJWRCOZPN-UHFFFAOYSA-N 243.018 -0.297 50 20 BBGD O=C1NCCC[C@H]1C(=O)NN=c1cc[nH]cc1 867284318 IJLLYMPTWNEWKB-SECBINFHSA-N 234.259 -0.527 50 20 BBGD C[C@@H](O)CN(C)NC(=O)C1CSC1 910146900 MYGUBYBFZJDCRF-ZCFIWIBFSA-N 204.295 -0.307 50 20 BBGD COCC(=O)NNC(=O)CC(F)(F)F 918363734 BTJVVZMIGKANIJ-UHFFFAOYSA-N 214.143 -0.267 50 20 BBGD CNC(=O)NNC(=O)CCn1nc(C)cc1C 919877623 DHXCPTGABYGMBZ-UHFFFAOYSA-N 239.279 -0.150 50 20 BBGD O=C([C@@H]1CCOC1)N1CC[C@H](B(O)O)C1 1261844123 CGBKPWIZCVOOHW-SFYZADRCSA-N 213.042 -0.902 50 20 BBGD CCNC(=O)NNC(=O)c1cc(C)on1 1318030289 OOUJKRMTEULIEM-UHFFFAOYSA-N 212.209 -0.053 50 20 BBGD CN(C)C(=O)CCCC(=O)NNC(=O)N(C)C 1318858840 AMACIQXXNLBUMR-UHFFFAOYSA-N 244.295 -0.453 50 20 BBGD O=C(CO[C@@H]1CCOC1)NNC(=O)C1CC1 1319370210 VMFBVNZXNWIOKA-MRVPVSSYSA-N 228.248 -0.651 50 20 BBGD CNC(=O)NNC(=O)c1cc(OC)no1 1320378512 ISQSJJPLCVXCMK-UHFFFAOYSA-N 214.181 -0.743 50 20 BBGD Cc1nc(C=NNC(=O)C(=O)NC2CC2)[nH]c1C 1327674686 JDWPPZIJQKTGRR-UHFFFAOYSA-N 249.274 -0.245 50 20 BBGD Cc1ncc(C(=O)N2CC[C@H](B(O)O)C2)c(C)n1 1329293244 PECMYWUCTLPCKM-VIFPVBQESA-N 249.079 -0.218 50 20 BBGD Cc1cc(C(=O)N2CC[C@H](B(O)O)C2)n(C)n1 1348490210 NADAYXWQFNWECZ-QMMMGPOBSA-N 237.068 -0.583 50 20 BBGD O=C(O)C(=O)NN=Cc1cn2ccccc2n1 1608531169 UMWVBIRPNGIVEY-UHFFFAOYSA-N 232.199 -0.131 50 20 BBGD CNC(=O)NNC(=S)NCCSC 388597665 PAWIJMXMWDWZAK-UHFFFAOYSA-N 222.339 -0.343 50 20 BBGD CCO[C@H](C)CNCc1ccc(B(O)O)o1 585033069 WQBSYLIDCPLAOP-MRVPVSSYSA-N 227.069 -0.526 50 20 BBGD C=CCCOCC(=O)N1CC[C@@H](B(O)O)C1 585077872 UNCRTFYRGNAQGS-SECBINFHSA-N 227.069 -0.346 50 20 BBGD O=C(CO)NNC(=O)[C@H]1Cc2ccccc21 753444374 LWYGBZJETSSIFU-VIFPVBQESA-N 220.228 -0.534 50 20 BBGD CN1CCC(=NNC(=O)c2ccc[nH]2)C1=O 761786104 NIOVFBWYTRUKTP-UHFFFAOYSA-N 220.232 -0.037 50 20 BBGD CC[C@H](C(=O)NNC(=O)C(C)(C)O)N(C)C 768240965 HIWVXSZWEZQLLU-SSDOTTSWSA-N 231.296 -0.755 50 20 BBGD CO[C@](C)(C(=O)NNC(=O)CN(C)C)C1CC1 812496226 FOLZIIFIEYGRNR-NSHDSACASA-N 243.307 -0.490 50 20 BBGD C=C[C@](C)(O)CC(=O)NN(C)[C@@H](C)CO 823928083 KGZFAHXEPBOFIQ-WPRPVWTQSA-N 216.281 -0.343 50 20 BBGD CC(C)OCC(=O)NN(C)[C@H](C)CO 823964924 GFXALEHEIPCXDV-MRVPVSSYSA-N 204.270 -0.245 50 20 BBGD CC(C)[C@H](O)C(=O)NNC(=O)[C@@H]1CCO[C@H]1C 843969994 AODGYNHIZFTIQK-YIZRAAEISA-N 244.291 -0.424 50 20 BBGD C/C=C/C=C/C(=O)NNC(=O)[C@H]1CCC(=O)N1 862450083 WQZDRGFYDKNKSL-BTFIKXILSA-N 237.259 -0.455 50 20 BBGD O=C(NNC(=O)[C@]1(F)CCOC1)NC1CC1 1117665585 AUNWMFTXPDKYTQ-VIFPVBQESA-N 231.227 -0.392 50 20 BBGD CC(C)C(=O)NNC(=O)C(=O)NCC(F)F 1255902304 OBQHZPDNLMCEQT-UHFFFAOYSA-N 237.206 -0.829 50 20 BBGD Cn1cc(/C=C(\C#N)C(=O)NC/C=C/CO)cn1 1261751334 VAZWTWAYCHSSEY-PDGXAJGZSA-N 246.270 -0.008 50 20 BBGD CC(=O)NNC(=O)Nc1ccnc(C(=O)O)c1 1588515095 CPNXIMRLWRRIQG-UHFFFAOYSA-N 238.203 -0.048 50 20 BBGD CN(NC(=O)[C@]1(C(=O)O)CCCO1)C1CC1 1593766628 VRCNULDBJBWFLG-JTQLQIEISA-N 228.248 -0.254 50 20 BBGD Cc1cc(NNC(=O)CCC(=O)O)nc(N)n1 1594325296 NROJMCDONOCWJK-UHFFFAOYSA-N 239.235 -0.325 50 20 BBGD CNC(=O)NNC(=O)c1ccc(C)n1C 48950494 MPJPQDZPHOODRF-UHFFFAOYSA-N 210.237 -0.093 50 20 BBGD Cc1ccccc1C(=O)NNC(=O)CO 136119220 JAAPYKNQVDNYMP-UHFFFAOYSA-N 208.217 -0.252 50 20 BBGD COC(=O)NNC(=O)Nc1ccnc(OC)n1 276536689 NXEGXFUUPJONKJ-UHFFFAOYSA-N 241.207 -0.122 50 20 BBGD O=C(CNC1CC1)NNc1ncccn1 309577241 PCTZZPNVTSDMQE-UHFFFAOYSA-N 207.237 -0.328 50 20 BBGD O=C(NCC1CC1)c1cc(B(O)O)ccc1F 584929245 PYCGFEHARIDNGQ-UHFFFAOYSA-N 237.039 -0.355 50 20 BBGD OB(O)c1ccc(CNC[C@@H]2CCOC2)o1 585017593 DIMSBXWDRXZREG-QMMMGPOBSA-N 225.053 -0.915 50 20 BBGD C[C@H](NCc1ccc(B(O)O)o1)c1nccn1C 585049659 JBOJEBPCBDKOLB-QMMMGPOBSA-N 249.079 -0.456 50 20 BBGD O=C(NCB(O)O)[C@H]1Cc2ccccc21 585060520 FKNCJRUAUSYMFG-VIFPVBQESA-N 205.022 -0.546 50 20 BBGD CC(=O)NNC(=O)c1cnn2ncccc12 765185773 NZFOJNPPMDCWKH-UHFFFAOYSA-N 219.204 -0.490 50 20 BBGD COC(=O)CNC(=O)NN=C1CCOC1 779822658 GRXHTPKSWISQIO-UHFFFAOYSA-N 215.209 -0.765 50 20 BBGD COC(=O)N(C)NC(=O)c1c[nH]c(C(N)=O)c1 804125230 SQRFUDLLXPCGNY-UHFFFAOYSA-N 240.219 -0.543 50 20 BBGD CO[C@H](C(=O)NN(C)[C@H](C)CO)C1CC1 823927786 GIUXRWJQEMWBTQ-APPZFPTMSA-N 216.281 -0.245 50 20 BBGD C[C@H](CO)N(C)NC(=O)c1cccc2ncnn12 823935415 RPYVKROJZYSPBN-MRVPVSSYSA-N 249.274 -0.313 50 20 BBGD Cc1cc(C(=O)NN(C)[C@H](C)CO)n[nH]1 823970390 GLSRDNJUPWKMTL-SSDOTTSWSA-N 212.253 -0.324 50 20 BBGD COC(=O)CNC(=O)NN=C(C)c1cnc[nH]1 853331272 MWIVPONDJLFTFV-UHFFFAOYSA-N 239.235 -0.394 50 20 BBGD N#CSCCCNC(=O)Cn1cncn1 854363114 LZSXUAABHDGVRK-UHFFFAOYSA-N 225.277 -0.001 50 20 BBGD C=C[C@@H](C)NC(=O)NNC(=O)[C@H]1CCC(=O)N1 858292535 AUETUHLCSZEEGH-RNFRBKRXSA-N 240.263 -0.830 50 20 BBGD CO[C@@H](C)CC(=O)NN(C)C[C@H](C)O 910165085 GIJIVXGJDMPAKC-YUMQZZPRSA-N 204.270 -0.245 50 20 BBGD CC[C@](C)(O)C(=O)NNC(=O)NCCCOC 930733498 UOCAYNNORXRVSM-JTQLQIEISA-N 247.295 -0.486 50 20 BBGD O=C(NNC(=O)c1ccncn1)NC1CC1 1255281607 ZGZDPVDFNGFHJP-UHFFFAOYSA-N 221.220 -0.417 50 20 BBGD CC(=O)NNC(=O)[C@H]1CC12CCOCC2 1321195897 YJORNWRENHOUKL-MRVPVSSYSA-N 212.249 -0.030 50 20 BBGD C[C@@H](C(=O)NNC(=O)C1CC1)n1cncn1 1336745585 TYKKRKBUYIYJLH-LURJTMIESA-N 223.236 -0.604 50 20 BBGD CCNC(=O)N(C)NC(=O)[C@]12C[C@H](N)C[C@H]1C2 1577794016 ZRMLESCXYAPQLV-VAOFZXAKSA-N 240.307 -0.194 50 20 BBGD COCCN(C)NC(=O)C1(C(=O)O)CC1 1604584603 UBZAQSPNIUIEDW-UHFFFAOYSA-N 216.237 -0.539 50 20 BBGD O=C(O)C(=O)NNC(=S)NC1CCCCC1 1608531183 VCWFBYHYGLIJBZ-UHFFFAOYSA-N 245.304 -0.101 50 20 BBGD NNC(=O)CN1C(=O)CCc2ccccc21 70073016 IRWGPOVCZSROOH-UHFFFAOYSA-N 219.244 -0.044 50 20 BBGD COCCCC(=O)NNC(=O)CN(C)C 113424945 WIMRQAGHGCAZHR-UHFFFAOYSA-N 217.269 -0.878 50 20 BBGD CN(C)CC(=O)NNC(=O)[C@H]1CC1(C)C 156433461 SUANCSRDLBRKQF-SSDOTTSWSA-N 213.281 -0.259 50 20 BBGD CC[C@@H](C)OCC(=O)NNC(=O)CN(C)C 162112896 YXGWYTJKFBQKMR-MRVPVSSYSA-N 231.296 -0.490 50 20 BBGD CCO[C@@H]1C[C@](N)(C(=O)NN)C1(C)C 162532485 ZCCIHRLVBWRQIW-MUWHJKNJSA-N 201.270 -0.491 50 20 BBGD COC(=O)NNC(=O)COCc1cccnc1 495707077 GJGMHFFYDBPOQE-UHFFFAOYSA-N 239.231 -0.015 50 20 BBGD OB(O)c1ccc(CNC[C@@H]2CCCO2)cc1 585014660 YMDXFSSQLLGMAS-LBPRGKRZSA-N 235.092 -0.365 50 20 BBGD CCCCC(COC)=NNC(=O)C(N)=O 737416472 QYZLPCHVSNRJFU-UHFFFAOYSA-N 215.253 -0.220 50 20 BBGD CO[C@H](C)CC(=O)NNC(=O)NC1CC1 749586548 VGQYIQIWCOQUFZ-ZCFIWIBFSA-N 215.253 -0.096 50 20 BBGD CSc1cc(C(=O)NNC(=O)CO)ccn1 753439842 ULOSJLIFPQBEJE-UHFFFAOYSA-N 241.272 -0.443 50 20 BBGD CCNC(=O)N(C)NC(=O)[C@@H]1CCC(=O)NC1 780706372 NTTRIBBMSYKMOE-SSDOTTSWSA-N 242.279 -0.795 50 20 BBGD CCC(=O)NNS(=O)(=O)c1ccoc1 795281519 ZGHJDBWPDQKQBK-UHFFFAOYSA-N 218.234 -0.001 50 20 BBGD C#Cc1ccccc1CC(=O)NNC(=O)CO 810919180 LVNINDOIULNUEJ-UHFFFAOYSA-N 232.239 -0.650 50 20 BBGD COC(=O)N(C)NC(=O)[C@@H](C)[C@H]1CCC(=O)N1 861656177 BZUKORUXXJGEPJ-NKWVEPMBSA-N 243.263 -0.370 50 20 BBGD CC[C@H](C)C(=O)NNC(=O)COCCOC 869910879 NNENHNGJWTXVCD-QMMMGPOBSA-N 232.280 -0.157 50 20 BBGD C=CC(=O)NCCC(=O)NN(C)C[C@H](C)O 910160235 HTGYRSNNUPZCEU-QMMMGPOBSA-N 229.280 -0.978 50 20 BBGD CCCNC(=O)CCC(=O)NN(C)C[C@@H](C)O 910165244 IHRBIVMIXPDTAO-SECBINFHSA-N 245.323 -0.363 50 20 BBGD C=CCNC(=S)NNC(=O)Cn1cccn1 920430893 HMWYWXSGWSIXLP-UHFFFAOYSA-N 239.304 -0.436 50 20 BBGD O=C(O)C1(CNCc2ccc(B(O)O)cc2)CC1 1119597434 PAGWADCCJRVNIS-UHFFFAOYSA-N 249.075 -0.679 50 20 BBGD O=C1NCC[C@H]1C(=O)NNc1ncc(F)cn1 1328560699 TUTXFRUQCJMVAJ-ZCFIWIBFSA-N 239.210 -0.805 50 20 BBGD Cn1nncc1NNC(=O)[C@@H]1[C@H]2CCC(=O)[C@@H]21 1333840236 FJVLAXVMWMTTPZ-LQQYEPNUSA-N 235.247 -0.517 50 20 BBGD Cc1nnc(CC(=O)NNC(=O)c2ccc[nH]2)o1 1347466811 JHPWKSMTLWIYCH-UHFFFAOYSA-N 249.230 -0.290 50 20 BBGD CNC(=O)NNC(=O)COC1CCCC1 48950472 JLWYOSUZXYKXFG-UHFFFAOYSA-N 215.253 -0.094 50 20 BBGD CC[C@@H](C)OCC(=O)NNC(=O)C(C)(C)O 190049563 TTYCXLUJFIMQPA-SSDOTTSWSA-N 232.280 -0.280 50 20 BBGD NNC(=O)[C@H]1CN(Cc2ccccc2)CCO1 272266068 BFLBSAAFOQBGAW-LLVKDONJSA-N 235.287 -0.123 50 20 BBGD CCNC(=O)N(C)NC(=O)C1(C(=O)OC)CC1 274559459 WENQZHBKIPDWOX-UHFFFAOYSA-N 243.263 -0.368 50 20 BBGD Cn1ncc(C(=O)NNC(=O)OC(C)(C)C)n1 284295174 KOQINLOVXWWTJJ-UHFFFAOYSA-N 241.251 -0.015 50 20 BBGD O=C(NNc1ncncc1F)C1(O)CCC1 294074451 QLNXMWIXGBDPBU-UHFFFAOYSA-N 226.211 -0.026 50 20 BBGD COC(=O)NNC(=O)[C@H]1CCc2n[nH]cc2C1 495326174 HJAXSYSGFPKJQV-LURJTMIESA-N 238.247 -0.098 50 20 BBGD C[C@@H](Cn1cccn1)NCc1ccc(B(O)O)o1 585018480 WDVWPNUIGQPORN-VIFPVBQESA-N 249.079 -0.666 50 20 BBGD Cc1n[nH]cc1C(=O)NNC(=O)c1cnn(C)c1 732082767 JRWFBAFVRCJPFL-UHFFFAOYSA-N 248.246 -0.474 50 20 BBGD CC[C@@H]1CC[C@H](C(=O)NNC(=O)CN(C)C)O1 757383468 ONLLJHNHMQLHHP-RKDXNWHRSA-N 243.307 -0.347 50 20 BBGD COC(=O)NNC(=O)CCn1ccccc1=O 765855689 DEEGKGJQFBXHJU-UHFFFAOYSA-N 239.231 -0.374 50 20 BBGD C[C@H]1CC[C@@H](C)N1CC(=O)NN(C)C(N)=O 778417448 TUXQQDDBYNGNGK-OCAPTIKFSA-N 228.296 -0.099 50 20 BBGD CC(C)(O)C(=O)NNC(=O)c1ccoc1 787946414 TUQKBSPUZXQFDE-UHFFFAOYSA-N 212.205 -0.189 50 20 BBGD Cc1n[nH]cc1C(=O)NNC(=O)[C@@H](O)C(C)C 813444109 NMQBBJJBSNUXHV-QMMMGPOBSA-N 240.263 -0.504 50 20 BBGD O=C(NNc1ccncn1)[C@@H]1CCOC1 821115539 OFIJPCPZFITTLT-SSDOTTSWSA-N 208.221 -0.044 50 20 BBGD CCOCCC(=O)NN(C)[C@@H](C)CO 823960010 UEGOEEIQBCAIEW-QMMMGPOBSA-N 204.270 -0.243 50 20 BBGD O=C(NNc1ccccn1)C1(n2cnnn2)CC1 831749932 LUJFTLCQNOPXPZ-UHFFFAOYSA-N 245.246 -0.300 50 20 BBGD CC(CCCO)=NNC(=O)[C@@H]1CCC(=O)N1 863150131 NKXWWTILOOOWPI-QMMMGPOBSA-N 227.264 -0.470 50 20 BBGD O=C(c1ccc[nH]1)N1CC[C@@H](B(O)O)C1 1118916472 OHODJWNBNYQAPY-SSDOTTSWSA-N 208.026 -0.296 50 20 BBGD COC(=O)C(=O)NNC(=O)NCCC=C(C)C 1320814672 CHYJYYUMSRXWDV-UHFFFAOYSA-N 243.263 -0.154 50 20 BBGD C[C@H](CO)N(C)NC(=O)c1cc[n+]([O-])cc1 1329862615 PHUISMPQSKRASD-MRVPVSSYSA-N 225.248 -0.723 50 20 BBGD NNC(=O)[C@H]1CS(=O)(=O)C[C@@H]1C(F)(F)F 1333336458 NBHAUVPZGKQONT-IMJSIDKUSA-N 246.210 -0.801 50 20 BBGD CCc1cc(C(=O)NNc2cnnn2C)n(C)n1 1333487965 RFVNIBXBWLPWOI-UHFFFAOYSA-N 249.278 -0.132 50 20 BBGD N#Cc1nccc(N2CC[C@@H](B(O)O)C2)n1 1336939645 MITWXNVAHUDOOL-SSDOTTSWSA-N 218.025 -0.599 50 20 BBGD N[C@H]1C[C@H](C(=O)NNC(=O)C2CCOCC2)C1 1580426985 NDPCFSGXYWWQJE-KYZUINATSA-N 241.291 -0.702 50 20 BBGD CCO/C=C(/C#N)C(=O)NC[C@@](C)(O)C(=O)O 1591765151 NOCPCPOZDWRVGS-ONRRBMGISA-N 242.231 -0.618 50 20 BBGD CN(NC(=O)[C@]1(C(=O)O)CC1(C)C)C(N)=O 1604195126 LHBMDWWQKPRHAV-VIFPVBQESA-N 229.236 -0.471 50 20 BBGD CCO[C@@H]1C[C@H]1C(=O)NN(C)C(N)=O 182641277 WAOYRAYXHWKYDA-PHDIDXHHSA-N 201.226 -0.547 50 20 BBGD CN1C[C@@H](C(=O)NNc2ncccn2)CC1=O 298269402 CHFGXTALWCABGW-ZETCQYMHSA-N 235.247 -0.602 50 20 BBGD CCOC(=O)CC(=O)NNC(=O)C1CC1 298281666 SKTUGNFZHOLDBK-UHFFFAOYSA-N 214.221 -0.503 50 20 BBGD CN1CCC[C@H]1C(=O)NNC(=O)c1ccc[nH]1 299577471 UTIIWOKOBSXKQD-VIFPVBQESA-N 236.275 -0.130 50 20 BBGD C[C@H](Cl)C(=O)N1C[C@H]2C(=O)NC(=O)[C@@H]2C1 306523770 UZPQTUBEFLSKRU-KVQBGUIXSA-N 230.651 -0.655 50 20 BBGD CCNC(=O)NNC(=O)[C@H](C)NC(=O)OC 494073188 WMJQMQAFVQQDKJ-YFKPBYRVSA-N 232.240 -0.919 50 20 BBGD COC(=O)NC(C)(C)C(=O)NN(C)C(=O)OC 495691352 AMMHRDIJRZWEMV-UHFFFAOYSA-N 247.251 -0.150 50 20 BBGD C[C@@H](NCc1ccc(B(O)O)cc1)[C@@H]1CCOC1 585026198 CYRFSVQBIUCRQW-ZYHUDNBSSA-N 249.119 -0.119 50 20 BBGD O=S(=O)(Cc1cccc(F)c1)NCB(O)O 585055483 BYLZLRLMRNRONF-UHFFFAOYSA-N 247.056 -0.743 50 20 BBGD OB(O)c1ccncc1OC[C@@H]1CCCO1 714032835 JPWXPRNNBBHHNT-QMMMGPOBSA-N 223.037 -0.681 50 20 BBGD O=S(=O)(CBr)NC/C=C/CO 717529858 DBYIXHYFDXFWRB-OWOJBTEDSA-N 244.110 -0.193 50 20 BBGD CN1CC[C@@H](C(=O)NNC(=O)c2ccc[nH]2)C1 729512823 SETYLMQABUUJCE-MRVPVSSYSA-N 236.275 -0.273 50 20 BBGD CCCNC(=O)NNC(=O)CSCC(=O)O 739361935 LJQVNKDZHWKHTK-UHFFFAOYSA-N 249.292 -0.455 50 20 BBGD CN(C)C(=O)NNC(=O)COCC1CC1 746001323 JZUUBCBTVOCSIT-UHFFFAOYSA-N 215.253 -0.285 50 20 BBGD CCn1cc(NC(=O)NNC(=O)CO)cn1 755493665 QBYOHGZVKIXUSO-UHFFFAOYSA-N 227.224 -0.952 50 20 BBGD CN(NC(=O)c1cccc2nn[nH]c12)C(N)=O 783693432 OBKQDLPDCRDRAU-UHFFFAOYSA-N 234.219 -0.387 50 20 BBGD Cn1nncc1NNC(=O)[C@@H]1CCCCO1 816769500 LBBHEVLLKMQSPW-ZETCQYMHSA-N 225.252 -0.173 50 20 BBGD C[C@@H](O)CN(C)NC(=O)Cc1cnn(C)c1 821217245 GVHICGBSKQSCGK-MRVPVSSYSA-N 226.280 -0.694 50 20 BBGD C=CCNC(=S)NNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 840237053 DZTUCBMBRCXCKL-PHDIDXHHSA-N 244.276 -0.667 50 20 BBGD CC(C)(CO)C(=O)NNC(=O)c1ncccn1 848226592 SQYCWPPXURSHNO-UHFFFAOYSA-N 238.247 -0.744 50 20 BBGD C[C@H](N)CN(C)S(=O)(=O)CBr 858639633 DOYNYSRNYXHNNL-YFKPBYRVSA-N 245.142 -0.052 50 20 BBGD COC1CC(C(=O)NN(C)C(N)=O)C1 860516469 BEEIWZTUURVSQL-UHFFFAOYSA-N 201.226 -0.547 50 20 BBGD CC[C@@]1(C(=O)NN(C)CCOC)CCNC1=O 868241640 NMUVCSWDJHXRDK-LLVKDONJSA-N 243.307 -0.488 50 20 BBGD CC(C)(C)C(=O)NNC(=O)[C@]1(C)CCNC1=O 874060347 GAXLGZKBOBEYTP-LLVKDONJSA-N 241.291 -0.294 50 20 BBGD CN1CCC[C@@H]1C(=O)NNC(=O)c1cccnn1 882058089 FUOMBKGUFFPLIB-SECBINFHSA-N 249.274 -0.668 50 20 BBGD CCCNC(=S)NNC(=O)COCC 913164246 BDQFHYBKUYSDIX-UHFFFAOYSA-N 219.310 -0.072 50 20 BBGD O=C(C[C@H]1CCOC1)NNc1nc[nH]n1 1117759862 FEOVNTSNECWMSK-ZCFIWIBFSA-N 211.225 -0.326 50 20 BBGD CNC(=O)NNS(=O)(=O)c1ccc(C)nc1 1257410503 CHTXGLBDRRJBKM-UHFFFAOYSA-N 244.276 -0.488 50 20 BBGD CN(NC(=O)CCc1cnc[nH]1)C(N)=O 1321511863 RGDRFUIBEHVHHJ-UHFFFAOYSA-N 211.225 -0.616 50 20 BBGD C[C@H](O)CN(C)NC(=O)CCn1cncn1 1339538232 BCTLSAOTILKMLN-QMMMGPOBSA-N 227.268 -0.988 50 20 BBGD CC(=O)NNC(=O)c1c(C)coc1CC(=O)O 1603052098 DAECYBRRWCDQPU-UHFFFAOYSA-N 240.215 -0.004 50 20 BBGD CNC(=O)NNC(=O)c1ccc([N+](=O)[O-])o1 48949019 SKEMSBXPVVGPCI-UHFFFAOYSA-N 228.164 -0.238 50 20 BBGD CN(C)S(=O)(=O)NNC(=O)CC(C)(C)C 172892645 PXZACBWHAVXAIT-UHFFFAOYSA-N 237.325 -0.150 50 20 BBGD Cc1ccc(C(=O)NNC(=O)CO)n1C 182748605 MKXPIQLLNCFAPR-UHFFFAOYSA-N 211.221 -0.913 50 20 BBGD CC[C@@](C)(NS(=O)(=O)CCl)C(N)=O 308184082 IRNBLAGSWIVIMZ-ZCFIWIBFSA-N 228.701 -0.244 50 20 BBGD CC[C@@H](O)CCCNCc1ccc(B(O)O)o1 585024887 GJODZHIFFZWBKU-SECBINFHSA-N 241.096 -0.400 50 20 BBGD C[C@@H](O)C[C@@H](C)NCc1cccc(B(O)O)c1 585033752 BEQMFJOEWGNZPJ-NXEZZACHSA-N 237.108 -0.385 50 20 BBGD Cc1cc(C(=O)NN)cc(S(N)(=O)=O)c1C 731450351 HGYACUZFXBOHJN-UHFFFAOYSA-N 243.288 -0.446 50 20 BBGD CN(C)C(=O)NNC(=O)[C@H]1C[C@H]1C(=O)O 737349498 FJFYXEZCNQCSBM-CRCLSJGQSA-N 215.209 -0.991 50 20 BBGD CC1(C(=O)NNC(=O)Cc2cc[nH]n2)COC1 755290613 RAEGJTDAXNDQNK-UHFFFAOYSA-N 238.247 -0.864 50 20 BBGD NC(=O)[C@H]1CC[C@H]1C(=O)NNC(=O)CC1CC1 848144580 XJZYHNPJYJAMEG-JGVFFNPUSA-N 239.275 -0.555 50 20 BBGD CC(C)(C)C(=O)NNC(=O)c1cc(O)ncn1 858523239 PCPRFYSUMJPLGZ-UHFFFAOYSA-N 238.247 -0.011 50 20 BBGD NNC(=O)CNS(=O)(=O)c1cccs1 915189935 GIMOKHAZJRNJBW-UHFFFAOYSA-N 235.290 -0.984 50 20 BBGD C[C@@H](CO)N(C)NC(=O)[C@@H]1[C@H]2CCCO[C@H]21 1120663432 JCGCMEFXAJJJMH-SGIHWFKDSA-N 228.292 -0.245 50 20 BBGD Cc1nn(C)cc1/C=C(/C#N)S(N)(=O)=O 1321356238 GDPPTJLQCXQKFX-BAQGIRSFSA-N 226.261 -0.119 50 20 BBGD NC(=O)NCCC(=O)NN=c1cc[nH]cc1 1342038023 TXMQJPVZGJWNIY-UHFFFAOYSA-N 223.236 -0.995 50 20 BBGD COC(=O)c1ccc(C(=O)N(C)N)n1C 1573940656 JYISXATXSKCEBY-UHFFFAOYSA-N 211.221 -0.243 50 20 BBGD C[C@@H]1CCC[C@@H]1CC(=O)NNC(=O)CO 184046730 XYESRKLLDCFGFN-HTQZYQBOSA-N 214.265 -0.048 50 20 BBGD Cc1nc2ncnn2c(C)c1CCC(=O)NN 212550045 PFOKENBECMGJQN-UHFFFAOYSA-N 234.263 -0.336 50 20 BBGD C[C@H]1OCC[C@@]1(O)CNS(=O)(=O)CCl 227191610 XNBIKXRHCHPGTL-RNFRBKRXSA-N 243.712 -0.358 50 20 BBGD CC(=O)NNC(=O)CCNC(=O)CC(C)C 266625532 UIKZSTGBJRLFDT-UHFFFAOYSA-N 229.280 -0.294 50 20 BBGD CNC(=O)NNC(=O)C1(O)CCCC1 267922917 KPMMDLMRQKPGEU-UHFFFAOYSA-N 201.226 -0.748 50 20 BBGD CC(=O)NNC(=O)[C@H]1CC(c2cccnc2)=NO1 276670713 JBAAXTISTOUUKZ-SNVBAGLBSA-N 248.242 -0.258 50 20 BBGD CCn1nccc1CN1CC[C@@H](B(O)O)C1 585076892 QSXRBPCQHQIQNX-SECBINFHSA-N 223.085 -0.048 50 20 BBGD Cc1cncc(N2CC[C@H](B(O)O)C2)n1 585079373 ZIMJNYSMDBQXHH-QMMMGPOBSA-N 207.042 -0.162 50 20 BBGD CN1CC[C@H]1CNS(=O)(=O)CCl 710286984 HMRNRNMYXUGRNB-LURJTMIESA-N 212.702 -0.194 50 20 BBGD COC(=O)c1ccc(C=NNC(N)=O)[nH]1 747624928 WJDRTKNYINWRKV-UHFFFAOYSA-N 210.193 -0.197 50 20 BBGD CN(NC(=O)[C@@]1(O)CCOC1)C1CC1 819654036 VUGWSKXMTFUBKE-SECBINFHSA-N 200.238 -0.737 50 20 BBGD COC(=O)[C@@H](C)CNS(=O)(=O)CCl 820794714 HOOCWVNMXKKKBF-YFKPBYRVSA-N 229.685 -0.089 50 20 BBGD CCNCC(=O)NNc1nc(C)cc(OC)n1 843441422 CJUDWMLFSKQTMM-UHFFFAOYSA-N 239.279 -0.154 50 20 BBGD C=C[C@H](O)C(=O)NNC(=O)NCC(F)(F)F 847114832 DMZYDBLDKKUGGN-BYPYZUCNSA-N 241.169 -0.574 50 20 BBGD COc1nccnc1NNC(=O)[C@H](O)C1CC1 854950495 SFULAYKGKPHVMW-SSDOTTSWSA-N 238.247 -0.301 50 20 BBGD CC(=O)NCC(=O)NN=c1cc[nH]c(C)c1 862508856 YZGHKSFPKQXZCF-UHFFFAOYSA-N 222.248 -0.609 50 20 BBGD CC1(C)CC(=NNC(=O)C(N)=O)CCO1 872326375 GQAOOADXRVJGLA-UHFFFAOYSA-N 213.237 -0.467 50 20 BBGD COC(=O)N(C)NC(=O)NCCc1cn[nH]c1 875595151 YETAXAGPPQHQNQ-UHFFFAOYSA-N 241.251 -0.135 50 20 BBGD CCn1cc(C=NNC(=O)COC)nn1 901199685 SCUZCPVHHHLDST-UHFFFAOYSA-N 211.225 -0.606 50 20 BBGD C[C@@H](O)CN(C)NC(=O)[C@@H]1CCCC(=O)N1C 910181934 DSTMCAZLSNXQHR-BDAKNGLRSA-N 243.307 -0.659 50 20 BBGD CC(C)(C)C(=O)NNC(=O)CCNC(N)=O 1115896348 TUJQYUQFQSRENF-UHFFFAOYSA-N 230.268 -0.762 50 20 BBGD COC(=O)C(=O)NN=Cc1ccn(C)n1 1261236508 LKRAGNVVUKFQPE-UHFFFAOYSA-N 210.193 -0.957 50 20 BBGD COC(=O)N(C)NC(=O)CCS(C)(=O)=O 1323488932 HRCBEZGKGLNCJR-UHFFFAOYSA-N 238.265 -0.850 50 20 BBGD C[C@H](O)CN(C)NC(=O)[C@H](C)n1ccnc1 1339541194 ZQSAPASFBKNWKA-IUCAKERBSA-N 226.280 -0.212 50 20 BBGD N#Cc1cncc(N2CC[C@H](B(O)O)C2)n1 1351727945 BWAPNXRIIQQAJS-ZETCQYMHSA-N 218.025 -0.599 50 20 BBGD Cc1cnn(C)c1C=NNC(=O)NCC(=O)O 1600635517 ONNWROHOVJGWEM-UHFFFAOYSA-N 239.235 -0.554 50 20 BBGD O=C(O)C(=O)NN=Cc1ccc(C(=O)O)cc1 1601636268 YAYFFWDOPRMZNJ-UHFFFAOYSA-N 236.183 -0.081 50 20 BBGD CO[C@H](C(=O)O)C(=O)NNC(=O)CC(C)C 1604434754 MUCCFQRUEKAWJV-ZETCQYMHSA-N 232.236 -0.721 50 20 BBGD O=C(NNC(=O)C1(C(=O)O)CC1)[C@H]1CCCO1 1605814845 WKFYVQOOANLVOX-ZCFIWIBFSA-N 242.231 -0.822 50 20 BBGD C[C@H](OCC1CC1)C(=O)NN(C)C(N)=O 181087967 NUROTUWXCKVMMJ-LURJTMIESA-N 215.253 -0.157 50 20 BBGD Cc1ccccc1C=NNC(=O)C(N)=O 254836098 FBGKWPQARBYDOR-UHFFFAOYSA-N 205.217 -0.070 50 20 BBGD C[C@H]1CSCC1=NNC(=O)C(N)=O 379381010 CRKSRVPIROAYKV-BYPYZUCNSA-N 201.251 -0.673 50 20 BBGD CCOC(=O)NNS(=O)(=O)N(C)CC 492929250 HUNMBYLOVLZVQR-UHFFFAOYSA-N 225.270 -0.566 50 20 BBGD CCOC(=O)NNC(=O)[C@@H](C)CC(=O)OC 493377498 SRSBCNIDUUTLTI-LURJTMIESA-N 232.236 -0.037 50 20 BBGD COC(=O)NCCCC(=O)NNc1nc[nH]n1 495621070 UEBSAPGUQXXCMW-UHFFFAOYSA-N 242.239 -0.616 50 20 BBGD OB(O)c1ccc(CNC[C@H]2CCCO2)o1 585014431 RDSSDKLBAHOFKM-MRVPVSSYSA-N 225.053 -0.772 50 20 BBGD C=CC[C@@H](CO)CNCc1ccccc1B(O)O 585035292 QVIKRWSWHPDBLQ-LLVKDONJSA-N 249.119 -0.359 50 20 BBGD C[C@H](O)C[C@H](C)NCc1ccc(B(O)O)o1 585035359 RNYKRINWKCOUGL-YUMQZZPRSA-N 227.069 -0.792 50 20 BBGD C[C@H]1CSC[C@@H]1NCc1ccc(B(O)O)o1 585040294 IELMNVRLAFJXSU-CBAPKCEASA-N 241.121 -0.200 50 20 BBGD CC[C@H]1COC[C@@H]1NCc1ccc(B(O)O)cc1 585047167 JIGSMGSFEYXVSY-AAEUAGOBSA-N 249.119 -0.119 50 20 BBGD CCOCCNC(=S)NNC(=O)C1CC1 750973802 KWCOUWCCNUXTQJ-UHFFFAOYSA-N 231.321 -0.072 50 20 BBGD C[C@H](NS(C)(=O)=O)C(=O)NN=C[C@H]1C[C@@H]1C 758371633 YCEGGIGVWFYWTC-BIIVOSGPSA-N 247.320 -0.318 50 20 BBGD NC(=O)N1CCC(=NNC(=O)C(F)F)CC1 782234506 HSRFTZDDLUNLMG-UHFFFAOYSA-N 234.206 -0.102 50 20 BBGD C[C@H](O)C(=O)NNc1ccc(-n2ccnc2)nn1 804958159 LXLNAABLHQBBGU-ZETCQYMHSA-N 248.246 -0.514 50 20 BBGD CC(C)(CC(=O)NNC(=O)CO)C1CC1 827893500 GLFAMUIBZIOOPP-UHFFFAOYSA-N 214.265 -0.048 50 20 BBGD CNC(=S)N(C)NC(=O)Cc1n[nH]c(C)n1 854927331 CZTXZIYREWLZIM-UHFFFAOYSA-N 242.308 -0.877 50 20 BBGD CN1CCCC[C@H]1C(=O)NNc1cnnn1C 857271700 VYYKFCZESLJKTE-QMMMGPOBSA-N 238.295 -0.258 50 20 BBGD C#C[C@@H](CC)NCc1ccccc1B(O)O 863890151 NPPOXWCAGSVBLS-NSHDSACASA-N 217.077 -0.132 50 20 BBGD O=C(CN1CCCC1)NNC(=O)NC1CC1 874194088 QQZPFMHRLJLSPL-UHFFFAOYSA-N 226.280 -0.425 50 20 BBGD COC(=O)CC(=O)NNC(=O)NC1CCCC1 906438311 JTOHHEIOJARKHH-UHFFFAOYSA-N 243.263 -0.178 50 20 BBGD COc1ccc(C(=O)NNS(C)(=O)=O)cc1 1115813535 YIKYQFFUYDELTR-UHFFFAOYSA-N 244.272 -0.111 50 20 BBGD CNC(=S)N(C)NC(=O)c1cnc[nH]1 1118714213 ZLBBGBRXBINCDO-UHFFFAOYSA-N 213.266 -0.509 50 20 BBGD CCOC1CC(CC(=O)NNC(=O)CO)C1 1320689208 BGPDSFQZUUHEFC-UHFFFAOYSA-N 230.264 -0.669 50 20 BBGD CC[C@H](CO)NC(=O)NNC(=O)c1cn[nH]c1 1331312813 NVDULPFQWRJKNK-SSDOTTSWSA-N 241.251 -0.875 50 20 BBGD COCCN(C)NC(=O)[C@]1(F)CCOC1 1349823722 GXVVGNYMWKLAPT-VIFPVBQESA-N 220.244 -0.276 50 20 BBGD O=C(CO)NNC(=O)Nc1cccc(F)n1 134111926 MSXHHIAEIMPTQO-UHFFFAOYSA-N 228.183 -0.634 50 20 BBGD CC(C)(O)C(=O)NNC(=O)c1cccc(F)n1 278047061 WMWJMGISDXXDNE-UHFFFAOYSA-N 241.222 -0.247 50 20 BBGD C[C@H]1OCC[C@@H]1C(=O)Nc1cccc(B(O)O)c1 405004190 PZBCPLAXLGMSLG-KCJUWKMLSA-N 249.075 -0.270 50 20 BBGD NNC(=O)CNC(=O)OCC(F)(F)F 496798150 UOQKXULOWJFCNJ-UHFFFAOYSA-N 215.131 -0.735 50 20 BBGD C[C@@H](O)C[C@@H](C)NCc1ccc(B(O)O)o1 585035350 RNYKRINWKCOUGL-HTQZYQBOSA-N 227.069 -0.792 50 20 BBGD CCO[C@@H](C(=O)N1CC[C@@H](B(O)O)C1)C1CC1 585067600 SYSILOKMZQBENG-NXEZZACHSA-N 241.096 -0.123 50 20 BBGD CCOCC(=O)NNC(=O)c1cnn(C)c1 735445982 NITBOTBVTRHFGT-UHFFFAOYSA-N 226.236 -0.782 50 20 BBGD COC[C@](C)(O)C(=O)NN=c1cc[nH]cc1 781020551 AEYIBFGKPXQASL-JTQLQIEISA-N 225.248 -0.656 50 20 BBGD CC(=NNC(=O)C(=O)NC1CC1)[C@H]1CCCO1 783815674 HFOPIVLHVQKQLA-SECBINFHSA-N 239.275 -0.064 50 20 BBGD COCCN(C)NC(=O)CCC(C)=O 808074451 CVYITNQOXGMEGS-UHFFFAOYSA-N 202.254 -0.035 50 20 BBGD C=C[C@H](O)C(=O)NNC(=O)c1cccn1C 816824390 XWZOORHFTWUGDK-QMMMGPOBSA-N 223.232 -0.667 50 20 BBGD COCC(=O)N(C)CC(=O)NN(C)C1CC1 819650212 HEWUOELFNOUVDM-UHFFFAOYSA-N 229.280 -0.783 50 20 BBGD C[C@@H](CO)N(C)NC(=O)[C@H]1C[C@@H](O)C1 823913416 UFPPPQVBUJPBRP-BIIVOSGPSA-N 202.254 -0.899 50 20 BBGD CCCNC(=O)NNC(=O)Cc1n[nH]c(C)n1 823952219 YGPAJYCBWRINJV-UHFFFAOYSA-N 240.267 -0.604 50 20 BBGD CN(NC(=O)Nc1ncn(C)n1)C1CC1 824354947 SNIXHZPBEYOQRI-UHFFFAOYSA-N 210.241 -0.054 50 20 BBGD CCn1ncc(C)c1NC(=O)NNC(=O)CO 825155325 CTFHHOXMVHUNIR-UHFFFAOYSA-N 241.251 -0.644 50 20 BBGD COCCN(C)NC(=O)c1cn(C)nn1 848378612 XPSQMUYWVOWOMH-UHFFFAOYSA-N 213.241 -0.962 50 20 BBGD CO[C@H](C(=O)NNC(=O)c1cc[nH]n1)C(C)C 855356795 RVXOWDOAPACJKA-QMMMGPOBSA-N 240.263 -0.158 50 20 BBGD CCCCC(=O)NNC(=O)[C@H]1CCC(=O)N1 862451258 LAVWRSVCAMYBEP-SSDOTTSWSA-N 227.264 -0.397 50 20 BBGD COC/C=C\C(=O)NNC(=O)NCCCOC 865016741 RPVMGWHBAIJGKK-HYXAFXHYSA-N 245.279 -0.444 50 20 BBGD CN(C)C(=O)NNC(=O)[C@H]1C[C@@H](O)C1 874249759 ZOMAKIDJGLPZPN-OLQVQODUSA-N 201.226 -0.940 50 20 BBGD O=C(NNC(=O)[C@@H]1[C@@H]2CCC(=O)[C@H]21)C1CC1 905089233 DCMOWHRUDJDEHQ-BWVDBABLSA-N 222.244 -0.231 50 20 BBGD Cn1cccc1C(=O)NNC(=O)c1cn[nH]c1 920432149 MAHFHLCBBAONQI-UHFFFAOYSA-N 233.231 -0.177 50 20 BBGD COCCC(=O)N1CC[C@@H](B(O)O)C1 1118976428 WYKXTRSOQHYNIJ-SSDOTTSWSA-N 201.031 -0.902 50 20 BBGD C[C@@H]1C[C@H](C(=O)O)CCC1=NNC(=O)C(N)=O 1324914251 QUJUWINKPBOUGI-PHDIDXHHSA-N 241.247 -0.535 50 20 BBGD CNC(=O)NNC(=O)[C@H]1CCO[C@H](C)C1 1324946691 WYSXLIQQDQFCDP-RQJHMYQMSA-N 215.253 -0.238 50 20 BBGD O=C(c1cc[nH]n1)N1CC[C@H](B(O)O)C1 1329294069 WWSDAFCXBUUPNA-LURJTMIESA-N 209.014 -0.901 50 20 BBGD C[C@@H]1C[C@@]1(C(=O)O)C(=O)NNC(=O)C1CC1 1594228111 IRGDTLJGEWCQOQ-FWOIEVBISA-N 226.232 -0.345 50 20 BBGD C[C@H]1CC[C@H](NC(=O)NNC(=O)C(=O)O)C1 1594312604 CTKGZYAFMHDLGG-WDSKDSINSA-N 229.236 -0.410 50 20 BBGD O=C(NN[C@H](C(=O)O)C1CC1)c1cnsn1 1601557531 NSUFHZWJRBPMDT-LURJTMIESA-N 242.260 -0.364 50 20 BBGD NC(=O)NNC(=O)c1ccc(-c2nnn[nH]2)cc1 95145197 QBSCADHVJNCTTC-UHFFFAOYSA-N 247.218 -0.820 50 20 BBGD CN1C[C@H](C(=O)NNC(=O)C(C)(C)C)CC1=O 130852915 MLMSYNPPMDTMMF-SSDOTTSWSA-N 241.291 -0.342 50 20 BBGD CCNC(=O)NNC(=S)N[C@@H](C)COC 144921246 GLTRUZNCXVJOKC-LURJTMIESA-N 234.325 -0.281 50 20 BBGD C[C@]1(O)CCN(S(=O)(=O)CCl)C1 235715108 GAEGQSLEMNZTAI-LURJTMIESA-N 213.686 -0.031 50 20 BBGD CC(C)=CC(=O)NNC(=O)C(C)(C)O 276199082 FOCUMDOVPCNWHB-UHFFFAOYSA-N 200.238 -0.129 50 20 BBGD C[C@H]1C(=NNC(=O)CO)CC[C@@H]1CC(=O)O 378675352 OHLLKJIQJTXFSR-RNFRBKRXSA-N 228.248 -0.028 50 20 BBGD O=C(NCB(O)O)c1cc(F)ccc1F 585057939 OSCCHAHFPBXUPC-UHFFFAOYSA-N 214.964 -0.293 50 20 BBGD Cc1sc(C(=O)NCB(O)O)cc1[N+](=O)[O-] 585061684 DJSCSJOZNMIFPN-UHFFFAOYSA-N 244.037 -0.293 50 20 BBGD Cc1cc(F)ccc1C(=O)NCB(O)O 585062933 PVVPKWVNLBEVGK-UHFFFAOYSA-N 211.001 -0.124 50 20 BBGD Cn1cc(C=NNC(=O)C(=O)N2CCCC2)cn1 748136102 BHGPUFCHSXLSOI-UHFFFAOYSA-N 249.274 -0.507 50 20 BBGD CCNC(=O)N(C)NC(=O)C(C)(C)C(N)=O 768184737 JGEIYIFVQOLVIO-UHFFFAOYSA-N 230.268 -0.810 50 20 BBGD CC(C)C(=O)NNS(=O)(=O)N1CC[C@@H](C)C1 777913590 NPHCCSVPQMESHE-MRVPVSSYSA-N 249.336 -0.150 50 20 BBGD CN(NC(=O)CN1CSCC1=O)C1CC1 819643058 VUPSVOUTRPMAQA-UHFFFAOYSA-N 229.305 -0.355 50 20 BBGD C[C@@H](CO)N(C)NC(=O)C[C@@H]1CCC(=O)N1C 823918668 ZOPDBQBLHVUPQU-IUCAKERBSA-N 243.307 -0.659 50 20 BBGD Cc1n[nH]cc1C(=O)NNC(=O)[C@@H](O)C1CC1 826755152 SGZHHTMNHBQZRN-QMMMGPOBSA-N 238.247 -0.750 50 20 BBGD CC(=O)NNC(=O)Cn1cc(C2CC2)cn1 854155583 QCFISSVFRISEBO-UHFFFAOYSA-N 222.248 -0.072 50 20 BBGD CCn1ncc(C(=O)NN(C)C(N)=O)c1C 867126751 FIRVXZBIBGLHNM-UHFFFAOYSA-N 225.252 -0.133 50 20 BBGD C#CCSCC(=O)NNC(=O)NC 900353367 RJYUPVPUVBJELI-UHFFFAOYSA-N 201.251 -0.687 50 20 BBGD CCCN(C)CC(=O)NN(C)C[C@H](C)O 910166662 ZXTNQYKMNQMQBC-VIFPVBQESA-N 217.313 -0.328 50 20 BBGD CC(=O)N(C)CC(=O)NNC(=O)c1ccc[nH]1 914750812 GKKVYJVNBWQVSI-UHFFFAOYSA-N 238.247 -0.746 50 20 BBGD C[C@@H](CO)N(C)NC(=O)c1cc(O)n(C)n1 1119047691 MEZTWAZDXTUKMR-LURJTMIESA-N 228.252 -0.917 50 20 BBGD CC(=O)NNC(=O)c1c([N+](=O)[O-])c(C)nn1C 1255031428 QOVRMIVNGRMOJX-UHFFFAOYSA-N 241.207 -0.582 50 20 BBGD NC(=O)C(=O)NN=C1CCCC12CCOCC2 1321220629 HIYJZOSYLUVJQZ-UHFFFAOYSA-N 239.275 -0.075 50 20 BBGD COc1cc(O)ccc1C=NNC(=O)CO 1323491913 LMVICNOTTGXFPO-UHFFFAOYSA-N 224.216 -0.157 50 20 BBGD COC(=O)NNC(=O)CCc1ccon1 1328906013 QBPNDQIOIDEONN-UHFFFAOYSA-N 213.193 -0.006 50 20 BBGD N#Cc1nccnc1N1CC[C@H](B(O)O)C1 1329293200 OZEHXANNTWBZMQ-ZETCQYMHSA-N 218.025 -0.599 50 20 BBGD C[C@H](O)CN(C)NC(=O)[C@@H](C)n1ccnc1 1339541193 ZQSAPASFBKNWKA-DTWKUNHWSA-N 226.280 -0.212 50 20 BBGD CNC(=O)Cn1cnc(NC(=O)CCl)n1 1341523755 ILWAYJAMKLPJKU-UHFFFAOYSA-N 231.643 -0.799 50 20 BBGD Cc1nc(NC(=O)NNC(=O)CCO)oc1C 1342670661 BODVMYXEGKTIIR-UHFFFAOYSA-N 242.235 -0.173 50 20 BBGD Cn1nncc1NNC(=O)Cc1cccnc1 1347710318 WKDRHWSZIXSCKJ-UHFFFAOYSA-N 232.247 -0.104 50 20 BBGD CCN(CCO)NC(=O)CCc1nccn1C 1349951935 SCWKOZCWZOFGCH-UHFFFAOYSA-N 240.307 -0.302 50 20 BBGD CCn1nccc1C(=O)N1CC[C@H](B(O)O)C1 1351730105 TUIFVEFRENMSAO-QMMMGPOBSA-N 237.068 -0.408 50 20 BBGD CC(=O)NNC(=O)Nc1cc(C(=O)O)nn1C 1589150397 PNBDYJSMXXNWMP-UHFFFAOYSA-N 241.207 -0.709 50 20 BBGD CCCNC(=O)NNC(=O)[C@H]1CC[C@H]1C(=O)O 1605332265 ZGRHYNKEUSNOOB-NKWVEPMBSA-N 243.263 -0.162 50 20 BBGD O=C(NNC(=O)c1cc[nH]n1)c1ccccn1 48014894 VCEZZWFTSOXUDQ-UHFFFAOYSA-N 231.215 -0.121 50 20 BBGD CO[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)C1 396531494 UNFPQINTPPQUPA-LLVKDONJSA-N 249.075 -0.773 50 20 BBGD COC(=O)N(C)NC(=O)Cn1cc(C)cn1 495759791 DWTHVHRIDXSAHV-UHFFFAOYSA-N 226.236 -0.079 50 20 BBGD COC1(C)CN(C(=O)c2cccc(B(O)O)c2)C1 584968221 JLTVGMQLGKHQEO-UHFFFAOYSA-N 249.075 -0.773 50 20 BBGD CCCCCS(=O)(=O)NCB(O)O 585056584 YURMIKHVHSWGHT-UHFFFAOYSA-N 209.076 -0.892 50 20 BBGD Cn1cc(C=NNC(=O)N2CCOCC2)cn1 745591375 XLYLFGLEUWDVPN-UHFFFAOYSA-N 237.263 -0.204 50 20 BBGD O=C(CO)NNC(=O)CCC(F)(F)F 753442241 BLLSMNHGHHHPCP-UHFFFAOYSA-N 214.143 -0.531 50 20 BBGD CC(=NNC(=O)C(N)=O)c1ccccc1C(=O)O 757451589 VITMZNLAQGKFNW-UHFFFAOYSA-N 249.226 -0.290 50 20 BBGD COC(=O)CNC(=O)NN=C(C)[C@H](C)OC 779816211 ICCWOXJKGNDAOS-ZETCQYMHSA-N 231.252 -0.131 50 20 BBGD COc1nccnc1NNC(=O)[C@@H](C)N(C)C 823669598 LJLFNFGYMKHGLM-SSDOTTSWSA-N 239.279 -0.122 50 20 BBGD CCN1C[C@@H](C(=O)NN(C)CCOC)CC1=O 837621615 LFHORKSOAIGBAC-VIFPVBQESA-N 243.307 -0.536 50 20 BBGD O=C(Cc1cc[nH]n1)NNC(=O)C1CSC1 865200241 ZKHLRODVUGRAPE-UHFFFAOYSA-N 240.288 -0.537 50 20 BBGD C[C@H](O)CN(C)NC(=O)[C@@H](O)c1ccccn1 910152210 JQBAPSGHHNRDBK-WPRPVWTQSA-N 239.275 -0.541 50 20 BBGD C[C@H](C(=O)NN)S(=O)(=O)c1ccc(F)cc1 917940266 AHMKAXGMINNOCE-ZCFIWIBFSA-N 246.263 -0.022 50 20 BBGD C[C@H](C(=O)NNc1cnnn1C)c1cnn(C)c1 1261772527 AFFMBBGMGOQXPE-ZETCQYMHSA-N 249.278 -0.205 50 20 BBGD CCCn1nccc1C=NNC(=O)C(N)=O 1333693576 SXOGCEIBEMBFHY-UHFFFAOYSA-N 223.236 -0.772 50 20 BBGD CCNC(=O)NNC(=O)[C@H]1C[C@H](N)C1(C)C 1577792700 CYSNIFQAABFQCG-RQJHMYQMSA-N 228.296 -0.290 50 20 BBGD C[C@@H](CC=NNC(=O)[C@H]1COCCO1)C(=O)O 1592463543 CZYLKXHVYQRICQ-JGVFFNPUSA-N 244.247 -0.385 50 20 BBGD Cc1nnc(NNC(=O)[C@@H](C)CC(=O)O)n1C 1600798727 WXJKDBXLAPGLGJ-YFKPBYRVSA-N 241.251 -0.323 50 20 BBGD C=C[C@](C)(O)CC(=O)NNC(=O)C1CC1 278734224 UNFQSCLRISLOEC-JTQLQIEISA-N 212.249 -0.129 50 20 BBGD C[C@H]1C[C@H](NCc2ccc(B(O)O)o2)CCO1 585032068 PGCDYDHSYHRIIL-DTWKUNHWSA-N 239.080 -0.384 50 20 BBGD Cc1ncc(C(=O)NCB(O)O)c(C(C)C)n1 585059266 HCQRNQYQFCOALH-UHFFFAOYSA-N 237.068 -0.350 50 20 BBGD O=C(O)CCCNC(=O)NNc1cccnn1 738576651 SXUDOUMBSCEEMD-UHFFFAOYSA-N 239.235 -0.033 50 20 BBGD C[C@H]1CC(=NNC(=O)C(N)=O)CCN1C 741451842 PSRNZWGYMXYYOS-LURJTMIESA-N 212.253 -0.942 50 20 BBGD CN(C)C(=O)NNC(=O)C1=CCCCO1 746185204 QZOUUBNQXZHYRE-UHFFFAOYSA-N 213.237 -0.017 50 20 BBGD COC[C@](C)(O)C(=O)NNC(=O)C1CCC1 754999230 ATABCCUROXUSKG-JTQLQIEISA-N 230.264 -0.669 50 20 BBGD COCC(=O)NN=Cc1cccc(C(N)=O)c1 755773149 RLVYURZFXCUCQI-UHFFFAOYSA-N 235.243 -0.118 50 20 BBGD CNC(=O)NNC(=O)[C@@H]1CCCN1C1CC1 787166295 XSBBHPQKYBSXEE-QMMMGPOBSA-N 226.280 -0.427 50 20 BBGD CCOC(=O)/C(C#N)=C\N[C@@H]1COC[C@H]1OC 843265905 YJOZGGVOFPCKQR-MMIMJOASSA-N 240.259 -0.040 50 20 BBGD O=C(CC1CC1)NNC(=O)[C@H](O)C1CC1 854665911 IJYYCZKURXPLFY-SECBINFHSA-N 212.249 -0.295 50 20 BBGD CO[C@@H](C)CC(=O)NNC(=O)c1cc[nH]n1 855359302 MQTPVYZOJRUSSH-LURJTMIESA-N 226.236 -0.404 50 20 BBGD Cc1cnc(C(=O)NNC(=O)CCCN)o1 857764692 XORKYYDTUAAFGB-UHFFFAOYSA-N 226.236 -0.517 50 20 BBGD CC(C)C1(C(=O)NNC(=O)N(C)C)COC1 931119562 PEDRATAGLGQXIN-UHFFFAOYSA-N 229.280 -0.039 50 20 BBGD CN(C)CC(=O)NN=Cc1ccccc1C(N)=O 1320676205 RFBBJAUKIAOPOU-UHFFFAOYSA-N 248.286 -0.203 50 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730090429 APXKOKORJQNJMO-UHFFFAOYSA-N 234.219 -0.864 50 20 BBGD CN1CCC[C@H]1C(=O)NNC(=O)NCC1CC1 733869259 IDRPNCMBGFIRLZ-VIFPVBQESA-N 240.307 -0.179 50 20 BBGD O=C(NNC(=O)C1CC1)c1ncccn1 735834847 HNNHPMGOWFDIFP-UHFFFAOYSA-N 206.205 -0.352 50 20 BBGD CC[C@@H](CO)C(=O)NNC(=O)c1cc(C)[nH]n1 779824430 RKMFTUASDNBLFI-ZETCQYMHSA-N 240.263 -0.502 50 20 BBGD CCN(CCO)NC(=O)Cn1cc(Cl)cn1 823884622 BZYVEQSKNLKPOA-UHFFFAOYSA-N 246.698 -0.118 50 20 BBGD COC(=O)NN=Cc1c(C(=O)O)cnn1C 848399611 VAFBHRJXIQNPOH-UHFFFAOYSA-N 226.192 -0.192 50 20 BBGD COCCN(C)NC(=O)C1(N(C)C)CC1 854409605 IXPCVUWIEBKPQE-UHFFFAOYSA-N 215.297 -0.310 50 20 BBGD O=C1C[C@@H](C(=O)NCC(Cl)Cl)N1 854451959 LOTUKZIEZUNDOM-VKHMYHEASA-N 211.048 -0.205 50 20 BBGD C#CCO[C@@H](C)C(=O)NNC(=O)c1cc[nH]n1 855355572 AHAOLNVRNJDLKB-ZETCQYMHSA-N 236.231 -0.791 50 20 BBGD Cc1ccnc(NNC(=O)[C@@H]2CCNC2=O)c1 857149188 QHLQZKIVWQDRDN-MRVPVSSYSA-N 234.259 -0.031 50 20 BBGD COC(=O)C(=O)NNC(=O)NC(C)(C)C 1116264291 COQDASMIUCBPAO-UHFFFAOYSA-N 217.225 -0.712 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-0.543 50 20 BBGD C=C[C@@](C)(O)C(=O)NNC(=O)CC1CC1 854666889 AXKRLYJTNWGBKT-SNVBAGLBSA-N 212.249 -0.129 50 20 BBGD CC(=O)N[C@H](C)C(=O)NNc1ncc(F)cn1 1324521815 YJJFOQXTDRBCOO-RXMQYKEDSA-N 241.226 -0.417 50 20 BBGD CS(=O)(=O)CCC(=O)NNC(=O)CC1CC1 1329322347 RINUSNYPKIGVQP-UHFFFAOYSA-N 248.304 -0.631 50 20 BBGD C[C@H](CO)N(C)NC(=O)CCCn1cncn1 1332114458 SHHJLINSRCPGMR-SECBINFHSA-N 241.295 -0.598 50 20 BBGD C[C@@H](CO)N(C)NC(=O)CCc1ccncn1 1332368060 VBLSFKARPXLBQE-VIFPVBQESA-N 238.291 -0.247 50 20 BBGD CN(C)c1ncc(C=NNC(=O)C(=O)O)n1C 1606068652 RYVNORMPHSXTHT-UHFFFAOYSA-N 239.235 -0.979 50 20 BBGD N#C/C=C\Cn1cncc(-c2nn[nH]n2)c1=O 1606344949 CKIMAEWXMDHGHI-UPHRSURJSA-N 229.203 -0.497 50 20 BBGD C#CCOCCC(=O)NNc1ncccn1 162717118 NZKZBFLPEFCMON-UHFFFAOYSA-N 220.232 -0.040 50 20 BBGD CCN1C[C@H](C(=O)NN(C)C(=O)OC)CC1=O 286556137 ZLJFPRMCIFLIMH-SSDOTTSWSA-N 243.263 -0.416 50 20 BBGD COC(=O)[C@@H]1C[C@@H]1C(=O)NNC(=O)CC1CC1 294219691 QQZOWRXFCMOXCT-JGVFFNPUSA-N 240.259 -0.257 50 20 BBGD 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LIKHSLUJEPZCJI-UHFFFAOYSA-N 227.220 -0.485 50 20 BBGD O=C1CCC[C@H](C(=O)NNC(=O)C2CC2)N1 799519807 URUSMICUCJDPED-SSDOTTSWSA-N 225.248 -0.788 50 20 BBGD COCCN(C)NC(=O)CN1CCCCC1=O 808073768 QMHYQODKBWYXDV-UHFFFAOYSA-N 243.307 -0.392 50 20 BBGD COC(=O)N(C)NC(=O)[C@H]1C[C@@H](O)C1 822838243 TVIZIJSLTBOJEA-OLQVQODUSA-N 202.210 -0.513 50 20 BBGD CC[C@@H](NC(C)=O)C(=O)NN(CC)CCO 823901520 AQWXKDBDQJSMTM-SECBINFHSA-N 231.296 -0.754 50 20 BBGD O=C(CO)NNC(=O)[C@@H]1CCCCC1(F)F 827894197 LVBPDZYKNCIJLR-LURJTMIESA-N 236.218 -0.048 50 20 BBGD CCC(=O)NNC(=O)[C@H](C)N1CC[C@H](F)C1 830479897 LFRKSKKOZNSDDO-YUMQZZPRSA-N 231.271 -0.024 50 20 BBGD CCC(=O)NNC(=O)[C@H](C)N1CCCNCC1 843345165 XHTSKHJGNOVMSE-VIFPVBQESA-N 242.323 -0.772 50 20 BBGD CNC(=S)N(C)NC(=O)[C@@H]1C[C@@H]1C(=O)OC 854921367 QJBMYKZZECYYAN-RITPCOANSA-N 245.304 -0.737 50 20 BBGD CNC(=O)NCC(=O)NN[C@@H](C)C(F)(F)F 862315021 OTGNAPPSQXSGDY-BYPYZUCNSA-N 242.201 -0.513 50 20 BBGD CC(=O)NNC(=O)[C@@H](NC(C)=O)C(C)C 913173172 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BBGD O=C(NCB(O)O)C1(c2cccc(F)c2)CC1 585059303 IQHNFOXDFHZBDT-UHFFFAOYSA-N 237.039 -0.015 50 20 BBGD C=CCOCC(=O)NNC(=O)N(C)C 729348565 QLWITRZBHDEGJI-UHFFFAOYSA-N 201.226 -0.509 50 20 BBGD NC(=O)C1(C(=O)NNc2ccccn2)CC1 777474459 HCECORJXLSQBKY-UHFFFAOYSA-N 220.232 -0.210 50 20 BBGD CCC(=O)NNS(=O)(=O)N1CC[C@H](C)C1 777906744 FNTBJUDJUXHHNO-ZETCQYMHSA-N 235.309 -0.396 50 20 BBGD CC[C@H](CO)C(=O)NNC(=O)C1CC1 779580256 XJJYDCLYGZNBSV-ZCFIWIBFSA-N 200.238 -0.438 50 20 BBGD Cn1[nH]cnc1=NC(=O)NNC(=O)C1CCC1 782590413 BCTMUQLBACCKMM-UHFFFAOYSA-N 238.251 -0.810 50 20 BBGD CNC(=O)NN=C(C)c1ccc(O)nn1 790156800 FIJBRMBAHKZEPV-UHFFFAOYSA-N 209.209 -0.165 50 20 BBGD CCc1c(C(=O)NN(CC)CCO)cnn1C 823847086 QYFNEFRLFMBWPI-UHFFFAOYSA-N 240.307 -0.059 50 20 BBGD CCN(CCO)NC(=O)c1cccc2nn[nH]c12 823873703 GHLMFQCFQVKRFO-UHFFFAOYSA-N 249.274 -0.083 50 20 BBGD C=C[C@@H](O)C(=O)NNC(=O)CC(F)(F)F 855001008 SDEKPJJLJIGXGZ-SCSAIBSYSA-N 226.154 -0.367 50 20 BBGD C[C@@H](O)C(=O)NNC(=O)OCC(F)(F)F 856020440 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225.252 -0.717 50 20 BBGD CN(N)C(=O)CNC(=O)c1ccsc1 1573877069 ASYZNDDOINQYRY-UHFFFAOYSA-N 213.262 -0.190 50 20 BBGD C[C@H]1CO[C@H](C(=O)NNC(=O)CCCN)C1 1576856186 IPJUPDGYYIKSTI-SFYZADRCSA-N 229.280 -0.702 50 20 BBGD Cc1ccc(NC(=O)NNC(=O)CCO)nc1 129023167 OPXLDEWNXOCYMH-UHFFFAOYSA-N 238.247 -0.075 50 20 BBGD O=C(NCB(O)O)c1c(F)cccc1F 170162081 AKEYJDGPXBVHGK-UHFFFAOYSA-N 214.964 -0.293 50 20 BBGD COC(=O)N(C)NS(=O)(=O)c1cnn(C)c1 497189529 HMBYZDAMBAGXGJ-UHFFFAOYSA-N 248.264 -0.688 50 20 BBGD C[C@@H](CF)NCc1ccc(B(O)O)cc1F 585041066 MOGKNFQGATXJOS-ZETCQYMHSA-N 229.035 -0.047 50 20 BBGD Cc1ccc(O[C@@H](C)C(=O)NCB(O)O)cc1 585058847 RMLHAMHEOVVMKU-VIFPVBQESA-N 237.064 -0.109 50 20 BBGD O=C(NCB(O)O)[C@H]1CCc2ccccc21 585063136 ZJWXVXOASPXGHS-JTQLQIEISA-N 219.049 -0.155 50 20 BBGD Cc1ccc(C(=O)NCB(O)O)c(O)c1 585063179 VKYAAURJEVOOPW-UHFFFAOYSA-N 209.010 -0.558 50 20 BBGD O=C(O)NCCC(=O)NNc1cccnn1 738657914 RRCRPMSSYBTESI-UHFFFAOYSA-N 225.208 -0.423 50 20 BBGD COCCO[C@H](C)C(=O)NN=Cc1ncc[nH]1 748258841 CZMODFJRIJXTQG-MRVPVSSYSA-N 240.263 -0.089 50 20 BBGD C#CC(=O)NNC(=O)Cc1cn2ccccc2n1 754060992 REVOHHPIVXFXCG-UHFFFAOYSA-N 242.238 -0.343 50 20 BBGD C[C@@H](C(=O)NN=c1cc[nH]cc1)N(C)C 781019882 PEXTZLZLAHFADR-QMMMGPOBSA-N 208.265 -0.103 50 20 BBGD COCCONC(=O)NNC(=O)CC(C)C 789349718 QGBBWXRPFCEFGE-UHFFFAOYSA-N 233.268 -0.059 50 20 BBGD CC(C)NC(=O)NNC(=O)[C@H]1CCCC(=O)N1 799588063 NSGNPNLHFQIOQZ-SSDOTTSWSA-N 242.279 -0.606 50 20 BBGD CCN(CCO)NC(=O)[C@@H]1CCN(C)[C@@H]1C 823893418 IPTLQLDPCDUHFN-NXEZZACHSA-N 229.324 -0.328 50 20 BBGD CCNC(=O)N(C)NC(=O)C[C@H]1CCCN1 831945116 MXMIUDPNXLQLHP-MRVPVSSYSA-N 228.296 -0.179 50 20 BBGD CSC[C@H](C)C(=O)NNC(=O)c1ncon1 832825983 NTWFGBQNRAXXHN-YFKPBYRVSA-N 244.276 -0.170 50 20 BBGD O=C(NNC(=O)[C@@H]1CCCCO1)c1cn[nH]c1 862471946 CWPZDTCVHVYKJZ-QMMMGPOBSA-N 238.247 -0.260 50 20 BBGD Cc1cc(=NNC(=O)C[C@H]2CCC(=O)N2)cc[nH]1 862511471 QNDFJDIZAVIJSS-SECBINFHSA-N 248.286 -0.076 50 20 BBGD Cc1cc(=NNC(=O)[C@@H]2CCNC(=O)C2)cc[nH]1 862513956 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BBGD CCNC(=O)N(C)NC(=O)CN1CCCC1=O 272719617 ZQAFOTLODFCVNC-UHFFFAOYSA-N 242.279 -0.699 50 20 BBGD CC1(C)CCN1C(=O)c1cccc(B(O)O)c1 584951129 VDAKDBGJTYBINW-UHFFFAOYSA-N 233.076 -0.009 50 20 BBGD N#CCC1(CNCc2ccc(B(O)O)o2)CC1 585039044 MXXIKURFANOBKB-UHFFFAOYSA-N 234.064 -0.257 50 20 BBGD CC[C@@H]1COC[C@H]1NCc1ccc(B(O)O)o1 585047090 GNCZSRFGVWZNOK-PSASIEDQSA-N 239.080 -0.526 50 20 BBGD O=C(NCB(O)O)[C@@H]1COc2ccccc2C1 585060789 KAGXYFREDZQSKV-VIFPVBQESA-N 235.048 -0.634 50 20 BBGD CC[C@H](OC)C(=O)NNC(=O)CN(C)C 733359152 CONKXWNEMPZOJC-ZETCQYMHSA-N 217.269 -0.880 50 20 BBGD CCNC(=O)NNC(=O)CCSCC(=O)O 737124186 ZCHLTQFGVVUAPT-UHFFFAOYSA-N 249.292 -0.455 50 20 BBGD O=C(NNC(=O)[C@@H]1C[C@H]1C(=O)O)NC1CC1 739454854 VTEGWXQIPUPWIR-PHDIDXHHSA-N 227.220 -0.800 50 20 BBGD CC(C)C(=O)NNc1nccn(C)c1=O 747937526 HVSROEDOVVCLJR-UHFFFAOYSA-N 210.237 -0.121 50 20 BBGD CCC(=O)NNC(=O)[C@H](C)N1CC[C@@H](OC)C1 752322946 SZGCWRCVHMLPMZ-DTWKUNHWSA-N 243.307 -0.347 50 20 BBGD O=C(CC1OCCO1)NNc1cccnn1 793807942 JEYLFAGHZXWMJS-UHFFFAOYSA-N 224.220 -0.317 50 20 BBGD C[C@@H]1COC(=O)C1=NNC(=O)CN(C)C 794903095 YYAYUXCOQKXFKO-ZCFIWIBFSA-N 213.237 -0.787 50 20 BBGD COCCN(C)NC(=O)[C@@H]1CCCO1 808073767 KQFYUNOUBYWKDX-QMMMGPOBSA-N 202.254 -0.225 50 20 BBGD CCN(CCO)NC(=O)CC1OCCO1 823879263 JURMBTKRZUKXIK-UHFFFAOYSA-N 218.253 -0.905 50 20 BBGD CCNC(=O)N(C)NC(=O)[C@@H]1[C@H]2CNC[C@H]21 843492711 FOUJHGOIXKNTNC-JIGDXULJSA-N 226.280 -0.856 50 20 BBGD CCCOCC(=O)NN(C)C(=S)NC 854925311 HDGXWGUATQDNPF-UHFFFAOYSA-N 219.310 -0.120 50 20 BBGD CCC(=O)NNC(=O)[C@@H](C)N1C[C@H]2C[C@H]2C1 886344399 DHXJYABJJQFDLO-HLTSFMKQSA-N 225.292 -0.116 50 20 BBGD C=CC(=O)N(CC)CC(=O)NN(C)[C@H](C)CO 911445414 USNXLXRYRAHBNB-SECBINFHSA-N 243.307 -0.635 50 20 BBGD O=C(NNC(=O)[C@H]1CCc2nncn2C1)C1CC1 1117698031 VDVGONDSFJRIAD-QMMMGPOBSA-N 249.274 -0.602 50 20 BBGD CNC(=S)N(C)NC(=O)CO[C@H]1CCOC1 1118714219 ZMXKZTIZTPDSRG-ZETCQYMHSA-N 247.320 -0.741 50 20 BBGD CNC(=O)NNC(=O)c1cnc(C2CC2)[nH]1 1319255384 TYXLIWJWOASXPF-UHFFFAOYSA-N 223.236 -0.139 50 20 BBGD O=C(NN=c1cc[nH]cc1)c1cc[n+]([O-])cc1 1319938881 FZUBYJNDXZMODF-UHFFFAOYSA-N 230.227 -0.106 50 20 BBGD CC(=NNC(=O)C(N)=O)c1ccc(F)cn1 1319972181 IKBCICZHYYYPAT-UHFFFAOYSA-N 224.195 -0.454 50 20 BBGD CN1C(=O)CC[C@H]1C(=O)NNc1cccnn1 1320947160 XIWHCNDIGAZVMK-ZETCQYMHSA-N 235.247 -0.460 50 20 BBGD Cc1cc(C(=O)NNC(=O)N(C)C)n(C)n1 1322110126 NFRCLFFKMMPJAX-UHFFFAOYSA-N 225.252 -0.355 50 20 BBGD Cc1nc(CC(=O)NNc2cccnn2)n[nH]1 1329044938 RMWKYBDQECFYBC-UHFFFAOYSA-N 233.235 -0.411 50 20 BBGD CC(=O)NNS(=O)(=O)c1cnn(C)c1C 1330191440 LOERYYHALNBHIO-UHFFFAOYSA-N 232.265 -0.942 50 20 BBGD Cc1ncc(C=NNC(=O)[C@@H]2CCC(=O)N2)n1C 1331723547 VCBAIZADKZPWKU-VIFPVBQESA-N 249.274 -0.543 50 20 BBGD Cc1cc(C)nc(NNC(=O)[C@H]2CCN2)n1 1349069448 TUUZMUFKAPKSDL-MRVPVSSYSA-N 221.264 -0.102 50 20 BBGD CCC[C@@H](NNC(=O)C(=O)O)C(=O)OCC 1595600144 GFBBKYHLFWOHTC-ZCFIWIBFSA-N 232.236 -0.576 50 20 BBGD C=CCOCCCC(=O)NNC(=O)CN(C)C 175945949 GVZJXGXXSIGOMT-UHFFFAOYSA-N 243.307 -0.322 50 20 BBGD CCNC(=O)N(C)NC(=O)CNC(=O)OCC 272646450 FMJAYECSKIXFPR-UHFFFAOYSA-N 246.267 -0.575 50 20 BBGD C[C@@H](NCc1ccccc1B(O)O)[C@@H]1CCOC1 585026206 DBHGKDXOHNXDKI-ZYHUDNBSSA-N 249.119 -0.119 50 20 BBGD OB(O)c1ccc(CNC[C@H]2CC[C@H](O)C2)o1 585037542 BELDPRVNFNTNPG-IUCAKERBSA-N 239.080 -0.790 50 20 BBGD CCc1ccc(S(=O)(=O)NCB(O)O)s1 585056202 QPNFVTXVWMZIQY-UHFFFAOYSA-N 249.122 -0.399 50 20 BBGD Cn1cc(Cl)cc1C(=O)NCB(O)O 585061321 VUWMGTVGAKYAQW-UHFFFAOYSA-N 216.433 -0.580 50 20 BBGD CCO[C@@H](C(=O)NCB(O)O)C(C)C 585062407 IJSRZTPGGBIDCU-SSDOTTSWSA-N 203.047 -0.824 50 20 BBGD Nc1ncnc(N2CC[C@H](B(O)O)C2)c1Cl 585072535 CAQINBFTHSFKGZ-YFKPBYRVSA-N 242.475 -0.235 50 20 BBGD COCCCCC(=O)NNC(=O)CN(C)C 733361115 PMIQVLARWRVAAI-UHFFFAOYSA-N 231.296 -0.488 50 20 BBGD CCC(=O)NNC(=S)NC[C@H]1CCOC1 749646007 JPEPASFADSLLSQ-SSDOTTSWSA-N 231.321 -0.072 50 20 BBGD CN(NC(=O)[C@H]1C[C@@]12CCOC2)C(N)=O 764296630 CXSWQZBQCYZHND-HZGVNTEJSA-N 213.237 -0.545 50 20 BBGD C#CC(=O)NNc1nc2ccccn2n1 791258871 UPDYTWZAYLBYHO-UHFFFAOYSA-N 201.189 -0.194 50 20 BBGD CC(=O)N[C@H](C(=O)NNc1nc[nH]n1)C(C)C 816631785 FDLUYZHVAQUALZ-ZETCQYMHSA-N 240.267 -0.592 50 20 BBGD C[C@@H]1[C@H](C(=O)NNc2cnnn2C)CCN1C 857270325 YODBLCJBXXCEIH-HTQZYQBOSA-N 238.295 -0.402 50 20 BBGD O=C1CC[C@@H](CC(=O)NN=c2cc[nH]cc2)CN1 857482695 HXYKZOTUASHTEP-VIFPVBQESA-N 248.286 -0.137 50 20 BBGD CCn1ncc(C(=O)NNC(C)=O)c1C 864427553 RUUOTUJNRCFPHN-UHFFFAOYSA-N 210.237 -0.008 50 20 BBGD C[C@H](O)CN(C)NC(=O)[C@@H]1CO[C@H](C)C1 910158438 FUXXVYDPDIDXCE-YIZRAAEISA-N 216.281 -0.245 50 20 BBGD CC[C@@](C)(O)C(=O)NNC(=O)NC1CC1 930720585 QSEBRZVYGKPNBL-SECBINFHSA-N 215.253 -0.360 50 20 BBGD Cc1nc(C)c(C=NNC(=O)C(N)=O)s1 1318712871 FUINQNZLVZAARI-UHFFFAOYSA-N 226.261 -0.305 50 20 BBGD Cc1ncc(C(=O)NNc2nc[nH]n2)[nH]1 1324276292 PJGBDDXMGJUWMC-UHFFFAOYSA-N 207.197 -0.407 50 20 BBGD CNC(=O)NNC(=O)[C@H]1CCC[C@@H](C(N)=O)C1 1324408102 GGASXECCUDIYNK-RQJHMYQMSA-N 242.279 -0.762 50 20 BBGD CC(=NNC(=O)C(=O)O)C1CCOCC1 1589011194 SOHYUNSGWXGDOA-UHFFFAOYSA-N 214.221 -0.010 50 20 BBGD C[C@@H](NC(=O)/C(C#N)=C/c1cnn(C)c1)C(=O)O 1604983392 ZONDYRYQIJXKJB-WGJZWELTSA-N 248.242 -0.084 50 20 BBGD CCCC[C@@H](NNC(=O)COC)C(=O)OC 135249738 RGHVGJFHXMMIEV-MRVPVSSYSA-N 232.280 -0.015 50 20 BBGD CC(C)(O)C(=O)NNC(=O)C#Cc1ccccc1 192926543 FTJPGWVWFHILFR-UHFFFAOYSA-N 246.266 -0.044 50 20 BBGD O=C(c1cc(B(O)O)ccc1F)N1CC(F)C1 584972747 GLDURHKJVQYJMU-UHFFFAOYSA-N 241.002 -0.701 50 20 BBGD Cc1nccn1CCNCc1ccc(B(O)O)o1 585021655 YJLSOORPXNXMSP-UHFFFAOYSA-N 249.079 -0.746 50 20 BBGD CC(C)[C@@H](CO)NCc1ccc(B(O)O)cc1 585026176 JRMJVYXRGXWQHW-GFCCVEGCSA-N 237.108 -0.527 50 20 BBGD Cc1ccc(S(N)(=O)=O)cc1C(=O)NN 731450417 PTTUQGGKPMCTRM-UHFFFAOYSA-N 229.261 -0.754 50 20 BBGD Cn1cccc1C(=O)NN=Cc1cnnn1C 751134239 KTOJPHGDFYNDEB-UHFFFAOYSA-N 232.247 -0.083 50 20 BBGD CN(NC(=O)CCCn1ccnc1)C(N)=O 770439910 ZPMRFOJXATYIDE-UHFFFAOYSA-N 225.252 -0.295 50 20 BBGD C[C@@H](C#N)C(=O)NNC(=O)N1CCN(C)CC1 807381998 SENUMBGKIGQZEL-QMMMGPOBSA-N 239.279 -0.866 50 20 BBGD CN(C)CC(=O)NN=Cc1cnccn1 807969579 TUGSLENIVOGJKF-UHFFFAOYSA-N 207.237 -0.512 50 20 BBGD C[C@H](C(=O)NN(C)[C@H](C)CO)c1cnn(C)c1 823946787 OQASYJYGAGYAJE-BDAKNGLRSA-N 240.307 -0.133 50 20 BBGD COC[C@H](OC)C(=O)NNC(=O)C(C)C 854214615 OEFWDEJZOAXDAX-ZETCQYMHSA-N 218.253 -0.549 50 20 BBGD CON=CC(=O)NNC(=O)OCC(F)(F)F 856020449 HXZIQWQWAHGRIG-UHFFFAOYSA-N 243.141 -0.062 50 20 BBGD CCC(=O)NNC(=O)CNC(=O)c1ccco1 913428676 IPMDBSSRKBQRNK-UHFFFAOYSA-N 239.231 -0.433 50 20 BBGD O=C(NNC(=O)N1CCOCC1)[C@@H]1C[C@H]1F 1123630473 JZGQCVOJSREKPQ-RNFRBKRXSA-N 231.227 -0.583 50 20 BBGD Cn1nc(C(=O)NNC(=O)CO)cc1C(F)F 1262376716 AJXLLTIYOIYNLN-UHFFFAOYSA-N 248.189 -0.889 50 20 BBGD Cn1ccc(NNC(=O)[C@H]2CCNC(=O)C2)n1 1320978275 ITKQQNOISRSPTF-ZETCQYMHSA-N 237.263 -0.611 50 20 BBGD CN(NC(=O)c1cnn2c(=O)cc[nH]c12)C1CC1 1328874447 QVYUDDNTNUHPCT-UHFFFAOYSA-N 247.258 -0.238 50 20 BBGD CC(C)C1(C(=O)NNC(=O)CCN)COC1 1575476016 YJNIESZMQJRHFD-UHFFFAOYSA-N 229.280 -0.845 50 20 BBGD CCC(CC)(C(=O)O)C(=O)NNC(=O)CO 1603525937 LKLNPHXPEQRION-UHFFFAOYSA-N 232.236 -0.983 50 20 BBGD COc1ccc(B(O)O)c(OC)c1C=O 1975549253 XDSWOCDVIGVYCL-UHFFFAOYSA-N 209.994 -0.804 50 20 BBGD Cc1cc(C(=O)NNC(=O)c2ccnnc2)[nH]n1 133294843 GSSPVQZHVKYFDP-UHFFFAOYSA-N 246.230 -0.417 50 20 BBGD CC(C)(O)C(=O)NNC(=O)[C@H]1C[C@@]12CCOC2 377053088 RIFBEPSWPMMBKB-RDDDGLTNSA-N 242.275 -0.669 50 20 BBGD CNC(=O)NNC(=O)CCCNC(=O)OC 491266955 VVCFAVBJPXKNGP-UHFFFAOYSA-N 232.240 -0.917 50 20 BBGD C=CC[C@H](CO)CNCc1ccc(B(O)O)o1 585035860 YQEUFLRFSHIAII-VIFPVBQESA-N 239.080 -0.766 50 20 BBGD Cc1noc(CNC(=O)NNc2ncccn2)n1 727230271 IHTRHPCTDMMTOZ-UHFFFAOYSA-N 249.234 -0.006 50 20 BBGD CCOc1cnc(C(=O)NN(C)C(N)=O)cn1 779041531 TUKSBCRODAVIQS-UHFFFAOYSA-N 239.235 -0.469 50 20 BBGD Cc1onc(CC(=O)NNC(=O)C2CC2)c1C#N 779380161 MKFYDHCIYWDXQL-UHFFFAOYSA-N 248.242 -0.045 50 20 BBGD COCCOCC(=O)NNC(=O)c1ccc[nH]1 812201637 JLANJBXJGRWOGK-UHFFFAOYSA-N 241.247 -0.561 50 20 BBGD C=C[C@](C)(O)C(=O)NNc1nccnc1OC 854954604 YZRNUQLCQRKKBV-JTQLQIEISA-N 238.247 -0.135 50 20 BBGD CC[C@@H]1COCC1=NNC(=O)CS(C)(=O)=O 863184129 ULVKBFDBHBLSMC-SSDOTTSWSA-N 248.304 -0.440 50 20 BBGD CCn1nc(C)c(C(=O)NN(C)C[C@@H](C)O)n1 910145680 VPWSYDGDROKULY-SSDOTTSWSA-N 241.295 -0.436 50 20 BBGD C[C@@H](O)CN(C)NC(=O)c1ccc(C#N)n1C 910149180 HTWLRIHCCFCMJK-MRVPVSSYSA-N 236.275 -0.146 50 20 BBGD CC(C)[C@@H](O)C(=O)NN(C)C[C@H](C)O 910154839 FTZLACFJZOITBJ-JGVFFNPUSA-N 204.270 -0.653 50 20 BBGD CCc1c(C(=O)NNC(=O)NC)cnn1C 1115887004 NYWWYVCZRLBUII-UHFFFAOYSA-N 225.252 -0.444 50 20 BBGD CC(C)(O)C(=O)NNC(=O)C1=CCOCC1 1116870089 TYILWGUWYXBERA-UHFFFAOYSA-N 228.248 -0.749 50 20 BBGD CC(=O)NN=Cc1cnc2n1CCOC2 1119559077 FZLZMLIZKPSVEE-UHFFFAOYSA-N 208.221 -0.117 50 20 BBGD Cc1cc(C=NNC(=O)C(=O)NC2CC2)ncn1 1261232524 JPWWBTWIIMZGBT-UHFFFAOYSA-N 247.258 -0.486 50 20 BBGD Cn1cc(C=NNC(=O)C(C)(C)O)nn1 1320922572 DOGSKNHYIWKWON-UHFFFAOYSA-N 211.225 -0.964 50 20 BBGD O=C(NNc1ncccn1)c1cc2n(n1)CCO2 1324062453 QZYIRZVFHXNKLT-UHFFFAOYSA-N 246.230 -0.178 50 20 BBGD Cn1ccc(NNC(=O)c2nccnc2N)n1 1326698354 YEQUXGXITPHIGX-UHFFFAOYSA-N 233.235 -0.451 50 20 BBGD CCN(CCO)NC(=O)CCCn1cncn1 1334960944 FFMMHRJNXRHUSP-UHFFFAOYSA-N 241.295 -0.596 50 20 BBGD CSSCCNC(=O)Cn1ncnn1 1337437870 PNZYYLADPLUSPD-UHFFFAOYSA-N 233.322 -0.200 50 20 BBGD CN1C(=O)C(=NNC(=O)CCO)c2ccccc21 1339925989 UELNVCVQKDSQHM-UHFFFAOYSA-N 247.254 -0.134 50 20 BBGD COCC#CC(=O)NNC(=O)[C@H]1CCO[C@@H]1C 1351035663 UOEDAAGSBLIZHU-BDAKNGLRSA-N 240.259 -0.791 50 20 BBGD CCCCO[C@@H](C)C(=O)NNC(=O)CN(C)C 113424525 YXZXMXDZPSRTQK-VIFPVBQESA-N 245.323 -0.099 50 20 BBGD CC(C)[C@@H](C(=O)NNC(=O)CN(C)C)N(C)C 131686470 MKWFCOLMZCHHFD-JTQLQIEISA-N 244.339 -0.718 50 20 BBGD C[C@H]1CCC[C@H]1CC(=O)NNC(=O)CO 184046782 XYESRKLLDCFGFN-YUMQZZPRSA-N 214.265 -0.048 50 20 BBGD CCc1cnc(NC(=O)NNC(=O)CO)s1 186238890 WCKPCNKCANDSSX-UHFFFAOYSA-N 244.276 -0.150 50 20 BBGD COC(=O)N(C)NC(=O)[C@H]1CCCN1C 496815014 MKFFRSPXFYTLEP-SSDOTTSWSA-N 215.253 -0.190 50 20 BBGD C=CCCOCC(=O)Nc1cccc(B(O)O)c1 584909847 JFZPPZIMQUNKAV-UHFFFAOYSA-N 249.075 -0.102 50 20 BBGD C[C@@H](O)C1(NCc2ccccc2B(O)O)CC1 585049696 JRJCOZITPGOTJY-SECBINFHSA-N 235.092 -0.631 50 20 BBGD C#CC[C@H](CO)NS(=O)(=O)CCCCl 717769534 HUZHQEYCKGAXJM-MRVPVSSYSA-N 239.724 -0.081 50 20 BBGD O=C(CC1OCCCO1)NNC(=O)C1CC1 788620339 CKSUUFKIUNMMPH-UHFFFAOYSA-N 228.248 -0.303 50 20 BBGD CCNC(=O)NNC(=O)[C@](C)(O)C1CC1 804301240 CCRMRLJZRJYMSB-SECBINFHSA-N 215.253 -0.502 50 20 BBGD CC(C)C(=O)NNC(=O)c1ncn(C)n1 809982387 FDNRVLNWDNJKEP-UHFFFAOYSA-N 211.225 -0.768 50 20 BBGD Cn1cc(C(=O)NNC(=O)CCCC#N)cn1 812513877 YOBPYBYNZDVGLX-UHFFFAOYSA-N 235.247 -0.125 50 20 BBGD CN1C(=O)CC[C@H]1CC(=O)NNc1ncccn1 820935025 MOEQIHZZMDIDGQ-QMMMGPOBSA-N 249.274 -0.069 50 20 BBGD CCN(CCO)NC(=O)[C@H]1CCN(C)C(=O)C1 823841666 JJPIOJVEGMLEHM-VIFPVBQESA-N 243.307 -0.800 50 20 BBGD CCN(CCO)NC(=O)[C@@H]1CCCN1C 823859897 CWTZMMORJIWHEY-VIFPVBQESA-N 215.297 -0.574 50 20 BBGD COC(=O)CCCC(=O)NN(C)[C@H](C)CO 823939833 QHWJQUNSSZLLDI-MRVPVSSYSA-N 232.280 -0.327 50 20 BBGD CCNC(=O)N(C)NC(=O)Cc1n[nH]c(C)n1 831857689 HPVMMKZMKSTWGV-UHFFFAOYSA-N 240.267 -0.652 50 20 BBGD Cn1cc(C(=O)NNC(=O)C(C)(C)CO)cn1 847507934 UKTVPJCZKIJLBT-UHFFFAOYSA-N 240.263 -0.800 50 20 BBGD CC1=NO[C@H](CNCc2ccccc2B(O)O)C1 895302178 PMDZUXCMMKZXDK-NSHDSACASA-N 248.091 -0.379 50 20 BBGD O=C1CC[C@@H]2[C@@H]1[C@@H]2C(=O)NNc1nc[nH]n1 899126854 HDBKMJKFDJTFLV-PRMYIZFSSA-N 221.220 -0.527 50 20 BBGD NC(=O)C(=O)NN=Cc1ccc2c(c1)OCCO2 916274915 YLRDREVJKCPHMZ-UHFFFAOYSA-N 249.226 -0.607 50 20 BBGD CCCNC(=O)NNC(=O)c1ccncn1 1116693831 ZOCHKILIFLFRIQ-UHFFFAOYSA-N 223.236 -0.169 50 20 BBGD COC(=O)C(=O)NN=Cc1cccc2nccn12 1253280170 NIBBYDBZZJFPGJ-UHFFFAOYSA-N 246.226 -0.043 50 20 BBGD O=C1CC[C@@H](C(=O)NNc2ncc(F)cn2)N1 1319803319 HUUMWECUFKDPRH-LURJTMIESA-N 239.210 -0.663 50 20 BBGD COC(=O)NNC(=O)c1cc(C(=O)OC)no1 1320388246 VTZXCVPBFDMEIE-UHFFFAOYSA-N 243.175 -0.538 50 20 BBGD CC(C)NC(=S)NNC(=O)c1cncnc1 1321073912 NPFNBPIMAHVQCX-UHFFFAOYSA-N 239.304 -0.006 50 20 BBGD COCC(=NNC(=O)CCO)C1CC1 1322437975 PXEMGBLKKXTNRM-UHFFFAOYSA-N 200.238 -0.103 50 20 BBGD COC[C@@](C)(O)C(=O)NNC(=S)NC(C)C 1322449606 NYDKDADORYYICU-SECBINFHSA-N 249.336 -0.713 50 20 BBGD CN(NC(=O)CCCCCNC(N)=O)C(N)=O 1325150966 MRQKLSSOMCEOGM-UHFFFAOYSA-N 245.283 -0.743 50 20 BBGD O=C(NNC(=O)[C@]12C[C@H]1CCCN2)c1ccc[nH]1 1580736175 NCUDAAFFSWFUJC-PELKAZGASA-N 248.286 -0.082 50 20 BBGD Cc1cc(NNC(=O)[C@@H](C)C(=O)O)nc(N)n1 1594325221 IZBHRKWRRDNWDK-RXMQYKEDSA-N 239.235 -0.469 50 20 BBGD Cc1ccc(C=NNC(=O)C(N)=O)c(C(=O)O)c1 1776016070 SHOBQGBVYPSPNZ-UHFFFAOYSA-N 249.226 -0.371 50 20 BBGD CCOC(=O)NNC(=O)[C@H](C)n1cncn1 45885674 ILJGSCMREAOQPK-LURJTMIESA-N 227.224 -0.384 50 20 BBGD CCOC(=O)NNC(=O)[C@@H]1CCOC1 66896778 XNSKYOFUVOBKAF-ZCFIWIBFSA-N 202.210 -0.200 50 20 BBGD C#CCNC(=O)NNC(=O)c1ccccc1O 79264597 MGPFKKODYMDBOX-UHFFFAOYSA-N 233.227 -0.031 50 20 BBGD COCC(=O)NNC(=O)c1ccc(C)o1 84285341 XBFCRVUCOZGWML-UHFFFAOYSA-N 212.205 -0.005 50 20 BBGD CNC[C@@H](C)C(=O)NNc1ncccn1 309646702 QPTXCJRRXLUUJN-SSDOTTSWSA-N 209.253 -0.225 50 20 BBGD NC(=O)NNC(=O)COc1ccccc1O 700873643 OZDBVXPUDQNGKM-UHFFFAOYSA-N 225.204 -0.530 50 20 BBGD N#Cc1cccc(NNC(=O)C2=NNC(=O)C2)c1 749259715 DCEYBUGXIHAJJA-UHFFFAOYSA-N 243.226 -0.123 50 20 BBGD C[C@@H]1OCC[C@H]1C(=O)NN(C)C(N)=O 778419002 YSUBGJMWVLJLPG-NTSWFWBYSA-N 201.226 -0.547 50 20 BBGD COC(=O)c1cc(C(=O)NNC(C)=O)on1 781418290 XISXFFBKDCBRFB-UHFFFAOYSA-N 227.176 -0.758 50 20 BBGD CN(CC(=O)O)CC(=O)NNC(=O)C(C)(C)C 818402629 QSMRSDQHFOCCIW-UHFFFAOYSA-N 245.279 -0.804 50 20 BBGD C[C@H](CO)N(C)NC(=O)c1cnc(O)n1C 823912210 CCJYJECQIUQVEW-ZCFIWIBFSA-N 228.252 -0.917 50 20 BBGD C[C@H](CO)N(C)NC(=O)[C@H]1CCCCN1C 823935207 PCCRBUCDQFSJIE-NXEZZACHSA-N 229.324 -0.186 50 20 BBGD C[C@H](CO)N(C)NC(=O)CCN1CCOCC1 823966070 YSQQEUNUZXSMEQ-SNVBAGLBSA-N 245.323 -0.948 50 20 BBGD COC(=O)N(C)NC(=O)C[C@H]1CCC(=O)N1 854410011 ORVREPYKVPWSKA-ZCFIWIBFSA-N 229.236 -0.616 50 20 BBGD CC[C@@H](C)C(=O)NNC(=O)[C@H]1CCC(=O)N1 862450775 ASKFZDWJTSUCNA-RNFRBKRXSA-N 227.264 -0.542 50 20 BBGD CC(=NNC(=O)CS(C)(=O)=O)c1ccc[nH]1 863188802 NNUVHFZZCCSXDQ-UHFFFAOYSA-N 243.288 -0.101 50 20 BBGD CCN1CCC[C@@H]1CNC(=S)NNC(C)=O 884004200 LTOSTNCHVCTGQY-SECBINFHSA-N 244.364 -0.014 50 20 BBGD COCCCC(=O)NN(C)C[C@H](C)O 910169983 HVBXHZTWBFZNOX-QMMMGPOBSA-N 204.270 -0.243 50 20 BBGD COc1ccccc1C=NNC(=O)C(N)=O 916272312 LWUNVDSOAVZZCV-UHFFFAOYSA-N 221.216 -0.369 50 20 BBGD CNC(=O)NNC(=O)c1ccc([N+](=O)[O-])[nH]1 919879635 NRMFTTXMOJXXNN-UHFFFAOYSA-N 227.180 -0.503 50 20 BBGD COC(=O)NNS(=O)(=O)c1cn(C)nc1C 1117486131 UADADTGABYVKKG-UHFFFAOYSA-N 248.264 -0.722 50 20 BBGD CC(=O)NNC(=O)Cc1cnn(C)c1C 1117735907 RUDXMFAKQSKTQJ-UHFFFAOYSA-N 210.237 -0.562 50 20 BBGD C#CCCCC(=O)NNC(=O)[C@@H]1CCC(=O)N1 1118970057 MHXIWRHQMRIXKH-QMMMGPOBSA-N 237.259 -0.784 50 20 BBGD CC(C)(F)C(=O)N1CC[C@H](B(O)O)C1 1329292374 IWXHTXLNXPCZEQ-LURJTMIESA-N 203.022 -0.190 50 20 BBGD CCOc1cc(C(=O)NN(C)[C@H](C)CO)[nH]n1 1330880062 PLQIRQQNKFFTKU-SSDOTTSWSA-N 242.279 -0.234 50 20 BBGD COC(=O)C1(C(=O)N2CC[C@@H](B(O)O)C2)CC1 1335433481 QYFAXSVDJCFRRX-SSDOTTSWSA-N 241.052 -0.985 50 20 BBGD N#CCCNC(=O)NNC(=O)c1ccc[nH]1 1339396312 SJMCDEWRUFIKRL-UHFFFAOYSA-N 221.220 -0.128 50 20 BBGD O=C(NCc1ccsc1)NNC(=O)C(=O)O 1601546158 GBMRVJJAKLWXHX-UHFFFAOYSA-N 243.244 -0.337 50 20 BBGD COCCCNC(=O)CN(C)C(=O)CCl 37654279 YKSSAYCJAWIQRF-UHFFFAOYSA-N 236.699 -0.164 50 20 BBGD CN(C)CC(=O)NNC(=O)CC1CCC1 175946248 VWRCXLOHVCVPEN-UHFFFAOYSA-N 213.281 -0.114 50 20 BBGD COCC(=O)NN=Cc1ccc(C(=O)O)[nH]1 381458426 JAUDVHNMZNSHSJ-UHFFFAOYSA-N 225.204 -0.191 50 20 BBGD O=C(c1cccc(B(O)O)c1)N1CCCOCC1 584937309 SYDRTIUUAUGYJO-UHFFFAOYSA-N 249.075 -0.771 50 20 BBGD CO[C@H](C)CCNCc1cccc(B(O)O)c1 585021130 PRHBOBQKOSENAZ-SNVBAGLBSA-N 237.108 -0.119 50 20 BBGD O=C(NCB(O)O)c1cn(-c2ccccc2)nn1 585062128 QIYDUYSQRVTARS-UHFFFAOYSA-N 246.035 -0.991 50 20 BBGD COc1nc(C)cc(N2CC[C@@H](B(O)O)C2)n1 585078900 PBYRRKMXGKARMA-MRVPVSSYSA-N 237.068 -0.153 50 20 BBGD O=S(=O)(CCl)N[C@H]1C[C@@H](CO)C1 642868310 MRCHYZIQXWAHBJ-OLQVQODUSA-N 213.686 -0.127 50 20 BBGD O=C(CO)NNC(=O)c1cccnc1Cl 753445051 DXLWNSXMUSCKHD-UHFFFAOYSA-N 229.623 -0.512 50 20 BBGD NC(=O)C(=O)NN=C1CCc2c(O)cccc21 812378178 FPVBPXKRWWIQQJ-UHFFFAOYSA-N 233.227 -0.356 50 20 BBGD CC[C@]1(C(=O)NN(C)[C@@H](C)CO)CCNC1=O 823901771 GSRSCRAZUGHTQT-KWQFWETISA-N 243.307 -0.754 50 20 BBGD CONC(=O)NNC(=O)[C@H]1CCO[C@H]1C 826940442 INWCIMDGRMUQJM-WDSKDSINSA-N 217.225 -0.697 50 20 BBGD C=CCONC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 827143380 KBYCDXVFMSVYAZ-HTQZYQBOSA-N 243.263 -0.141 50 20 BBGD Cc1ccc(C(=O)NNC(=O)CO)nc1C 839721421 QEYQCUYNVCNCBN-UHFFFAOYSA-N 223.232 -0.548 50 20 BBGD COCCN(C)NC(=O)[C@@H](CC(C)C)C(N)=O 840452934 LIVFJOKTMHGCQN-VIFPVBQESA-N 245.323 -0.257 50 20 BBGD CC[C@H](OC)C(=O)NNC(=O)[C@@H]1CCO[C@H]1C 843649014 SWTFGWSTYXWCKU-YIZRAAEISA-N 244.291 -0.016 50 20 BBGD O=C(NNC(=O)[C@@H]1CC1(F)F)c1cc[nH]n1 855356303 OUEBTLLMADOTAE-BYPYZUCNSA-N 230.174 -0.174 50 20 BBGD O=C1CC[C@@H](C(=O)NNC2=N[C@H]3C=C[C@H]2C3)N1 863148869 LTSHOJKKQUQIGL-FXQIFTODSA-N 234.259 -0.757 50 20 BBGD COC(=O)CC(=O)NNC(=O)C1CCCC1 906085629 WILLKVHHQGKZMW-UHFFFAOYSA-N 228.248 -0.113 50 20 BBGD CCOC(=O)[C@H](CC)C(=O)NN(C)C[C@@H](C)O 910147743 SRUHLLFAUKAEBF-RKDXNWHRSA-N 246.307 -0.081 50 20 BBGD C[C@@H](O)CN(C)NC(=O)CN1CCCC1 910155619 ODWLPERGXPAFHH-SECBINFHSA-N 215.297 -0.574 50 20 BBGD CCO[C@@H](C)C(=O)NN(C)C[C@H](C)O 910170334 KDNXLOZEMAMFLH-YUMQZZPRSA-N 204.270 -0.245 50 20 BBGD CN(C)C(=O)NNC(=O)c1ccn(C)n1 1115963121 WYCVLNSYORFJGO-UHFFFAOYSA-N 211.225 -0.664 50 20 BBGD CCC(=O)N1CC[C@@H](C(=O)NN(C)C(N)=O)C1 1320706733 GBHBNSGHWILLMI-SSDOTTSWSA-N 242.279 -0.713 50 20 BBGD CC(=O)NNC(=O)[C@H]1CCc2ncncc2C1 1326334097 QZOMAVHAISVVRJ-QMMMGPOBSA-N 234.259 -0.251 50 20 BBGD O=C(NNC(=O)N1CCC1)c1cccnn1 1330844096 BTVNHINPDPSAAC-UHFFFAOYSA-N 221.220 -0.463 50 20 BBGD CC(=O)N[C@@H](C)C(=O)NNc1ccncn1 1331425529 MOZKFKLGAFCXML-LURJTMIESA-N 223.236 -0.556 50 20 BBGD Cn1cnc(C=NNC(=O)[C@@H]2CCC(=O)N2)c1 1351650875 LQTOKOLZVLKOHT-QMMMGPOBSA-N 235.247 -0.851 50 20 BBGD C=CC[C@H](NNC(=O)c1cnsn1)C(=O)O 1588749636 NTIUIRPCBYPXOT-YFKPBYRVSA-N 242.260 -0.198 50 20 BBGD CC(=O)NNS(=O)(=O)c1cc(C(=O)O)co1 1589149857 GNAIDEBQQMHYHE-UHFFFAOYSA-N 248.216 -0.693 50 20 BBGD C[C@H](CC(=O)O)CC(=O)NNC(=O)NC1CC1 1592391598 NFDODUTZSAZTCF-LURJTMIESA-N 243.263 -0.020 50 20 BBGD C[C@@H](O)CN(C)NC(=O)c1ccc(C(=O)O)[nH]1 1593457350 RIRDPXMAQCCPAQ-ZCFIWIBFSA-N 241.247 -0.330 50 20 BBGD CC[C@@H](NCc1cccc(B(O)O)c1)C(=O)O 1593607701 SEXCFRHNMZZMFO-SNVBAGLBSA-N 237.064 -0.681 50 20 BBGD CC(C)[C@@]1(C)C[C@@H]1NC(=O)NNC(=O)C(=O)O 1603746409 UYCFEYMFUYQLOW-QUBYGPBYSA-N 243.263 -0.164 50 20 BBGD O=C(CCO)NNC(=O)Nc1cccc(F)n1 134333651 HVSLAFTZZYFTTD-UHFFFAOYSA-N 242.210 -0.244 50 20 BBGD C#CCCCCC(=O)NNC(=O)CN(C)C 179839328 GMIXTNVKSRTMBC-UHFFFAOYSA-N 225.292 -0.111 50 20 BBGD CO[C@@H](C)C(=O)Nc1cccc(B(O)O)c1 404983880 SDBHGQNGHZAREM-ZETCQYMHSA-N 223.037 -0.660 50 20 BBGD COC(=O)N(C)NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 497007865 LJKDWENYQYOROG-RFZPGFLSSA-N 217.181 -0.619 50 20 BBGD CCOC(=O)/C(C#N)=C\NCCNC(=O)OC 497273654 CEAAADQYUAKHGZ-FPLPWBNLSA-N 241.247 -0.097 50 20 BBGD Cc1nc2ccc(N3CC[C@@H](B(O)O)C3)nn2n1 585074261 VMSCYDGFIDZSKP-MRVPVSSYSA-N 247.067 -0.514 50 20 BBGD COCCOCCC(=O)NN(C)C(N)=O 778418751 SOTAVHKTJSJSCU-UHFFFAOYSA-N 219.241 -0.919 50 20 BBGD CCOC(=O)C(C)(C)CC(=O)NNC(=O)CO 807196574 XEODVFJLTSKMHN-UHFFFAOYSA-N 246.263 -0.895 50 20 BBGD COCCN(C)NC(=O)[C@H]1CCNC(=O)C1 808073711 OVXCGXJQCOCVRT-QMMMGPOBSA-N 229.280 -0.878 50 20 BBGD CC(C)C[C@@H](NC(=O)O)C(=O)NN(C)C(N)=O 833478618 GSPAGJPOBYVHGH-ZCFIWIBFSA-N 246.267 -0.290 50 20 BBGD O=C(CO)NNC(=O)COCC1CCCC1 839722395 ZLGQOJVYEHPDDG-UHFFFAOYSA-N 230.264 -0.667 50 20 BBGD CCC(=O)NNC(=O)[C@@H](C)N1CC[C@H](NC)C1 843344758 VSVWHYGADZDMLR-BDAKNGLRSA-N 242.323 -0.774 50 20 BBGD O=C1CC[C@@H](C(=O)NNC(=O)c2ncccn2)C1 843910650 XSQBKHIOEBCJPB-SSDOTTSWSA-N 248.242 -0.393 50 20 BBGD COCCOCC(=O)NNC(=O)C(C)(C)F 869908277 ZGGLJUVCNCIHKV-UHFFFAOYSA-N 236.243 -0.455 50 20 BBGD CN1CCC[C@H]1C(=O)NNC(=O)c1ncccn1 897988047 MDIXEWSVZBAJQB-QMMMGPOBSA-N 249.274 -0.668 50 20 BBGD CC(C)OCC(=O)NN(C)C[C@H](C)O 910166977 AYLDKEJVGKHXMO-QMMMGPOBSA-N 204.270 -0.245 50 20 BBGD CC[C@@H](NC(C)=O)C(=O)NNc1ccn(C)n1 1119263865 PYCZPWJGJHVOPA-MRVPVSSYSA-N 239.279 -0.222 50 20 BBGD CNC(=O)NNC(=O)[C@@H]1C[C@H]1c1cncn1C 1261675064 PVBLMMHIHHNVEM-RNFRBKRXSA-N 237.263 -0.516 50 20 BBGD COC(=O)C(=O)NN=Cc1cn2ccccc2n1 1318910481 VQUNRHTUBHCACE-UHFFFAOYSA-N 246.226 -0.043 50 20 BBGD CCC(COC)=NNC(=O)C(=O)OC 1319047820 WNQYFWKQWJQIOQ-UHFFFAOYSA-N 202.210 -0.312 50 20 BBGD CNC(=O)NNC(=O)[C@@H]1CCC[C@@H](C(N)=O)C1 1324408101 GGASXECCUDIYNK-RNFRBKRXSA-N 242.279 -0.762 50 20 BBGD COCCOCCC(=O)N1CC[C@H](B(O)O)C1 1329293415 QSEKZLKQRZZIOO-VIFPVBQESA-N 245.084 -0.885 50 20 BBGD CCNC(=O)NNC(=O)c1csc(O)n1 1344333316 BVICKXARYBSLQM-UHFFFAOYSA-N 230.249 -0.187 50 20 BBGD C[C@@H](C(=O)NNC(=O)C1CCOCC1)N(C)C 1354128828 QPPAPEIIFWITNI-QMMMGPOBSA-N 243.307 -0.490 50 20 BBGD CO[C@](C)(C(=O)O)C(=O)NNc1ccncn1 1593927063 SSBYPVXSJXTDMP-VIFPVBQESA-N 240.219 -0.591 50 20 BBGD CNC(=O)NNC(=O)CNC(=O)OC(C)(C)C 49377510 UGJKAXWTLHJSNW-UHFFFAOYSA-N 246.267 -0.529 50 20 BBGD N#Cc1ccc(C(=O)NNC(N)=O)cc1 70191488 NJYIYUVCVJTCRP-UHFFFAOYSA-N 204.189 -0.129 50 20 BBGD O=C(CO)NNC(=O)Cc1cc(F)ccc1F 180963590 FQZIEQRILPATJG-UHFFFAOYSA-N 244.197 -0.353 50 20 BBGD COC(=O)N(C)CCCC(=O)NN(C)C(N)=O 494537623 BUANTJCJZGMMPP-UHFFFAOYSA-N 246.267 -0.494 50 20 BBGD C/C=C\C(=O)NNC(=O)N1CCOCC1 737819877 VPZPDFYMPZRVBZ-IHWYPQMZSA-N 213.237 -0.365 50 20 BBGD CCN(CCO)NC(=O)C1(N(C)C)CC1 823889202 LXBOUXQVXKXZEV-UHFFFAOYSA-N 215.297 -0.574 50 20 BBGD CC1(C)C[C@@H]1C(=O)NNC(=O)c1ncon1 832826412 ZAIWYOJCCPFGJB-RXMQYKEDSA-N 224.220 -0.123 50 20 BBGD CC(F)(F)C(=O)NNC(=O)c1cccnn1 882058194 FERNQBZYKWCCDD-UHFFFAOYSA-N 230.174 -0.107 50 20 BBGD CC(=O)NNC(=O)C1(C(C)C)COC1 929181628 DENWORRAUPFXGJ-UHFFFAOYSA-N 200.238 -0.174 50 20 BBGD Cc1cc(NC(=O)NNC(=O)CCO)no1 1116616308 FKWVCRRFKSMPHT-UHFFFAOYSA-N 228.208 -0.482 50 20 BBGD CNC(=O)NNC(=O)CSCC(C)=O 1322215183 XQQVENUZUOBNCU-UHFFFAOYSA-N 219.266 -0.731 50 20 BBGD CS/C=C\C(=O)NNC(=O)[C@@H]1CCC(=O)N1 1335329213 GCDMFVGUZPHMRF-XSIKTDMUSA-N 243.288 -0.711 50 20 BBGD COC(=O)c1cc(C=NNC(=O)CCO)on1 1343882466 QUANNTFZYLERCR-UHFFFAOYSA-N 241.203 -0.706 50 20 BBGD CCc1cncc(C(=O)NNC(=O)[C@H]2CCN2)c1 1578284342 GMDMXLKONWNWPI-SNVBAGLBSA-N 248.286 -0.233 50 20 BBGD CC1(NC(=S)NNC(=O)NCC(=O)O)CC1 1594060448 MJMWQQCDFOMZKR-UHFFFAOYSA-N 246.292 -0.698 50 20 BBGD O=C(O)CCCC(=O)NNC(=O)c1ncon1 1595027827 PZNAESONBZUJAV-UHFFFAOYSA-N 242.191 -0.915 50 20 BBGD CN(NC(=O)COCC(=O)O)c1ccccn1 1598542120 WLJXWMWORZTIFX-UHFFFAOYSA-N 239.231 -0.350 50 20 BBGD CC#CC(=O)NNc1ccc(-c2nn[nH]n2)cn1 1602888957 BEODHBWKADCXCC-UHFFFAOYSA-N 243.230 -0.272 50 20 BBGD CC[C@H](C)OCC(=O)NNC(=O)CN(C)C 162113077 YXGWYTJKFBQKMR-QMMMGPOBSA-N 231.296 -0.490 50 20 BBGD CC(=O)NNS(=O)(=O)CCOC(C)C 163404832 WKFCBNUCKUZJPN-UHFFFAOYSA-N 224.282 -0.618 50 20 BBGD C[C@@H](NCc1ccccc1B(O)O)c1cn[nH]c1 585034529 MAQDLGTWPZOQQM-SECBINFHSA-N 245.091 -0.060 50 20 BBGD CC1(C)[C@H](O)C[C@H]1NCc1ccc(B(O)O)o1 585036867 QRUCQSWWVRXJBF-RKDXNWHRSA-N 239.080 -0.792 50 20 BBGD Cc1cc(F)cc(S(=O)(=O)NCB(O)O)c1 585055731 IHVUKFYFQULBLV-UHFFFAOYSA-N 247.056 -0.576 50 20 BBGD CC[C@@H](C)C(=O)NNS(=O)(=O)N1CCCC1 742028828 JEXPBZAWJUHPHR-MRVPVSSYSA-N 249.336 -0.006 50 20 BBGD CCNC(=O)CC(=O)NNC(=O)c1ccc[nH]1 780854380 COSOCCUGIURALF-UHFFFAOYSA-N 238.247 -0.698 50 20 BBGD CC(C)(O)C(=O)NNC(=O)COC(F)F 803160002 WLDLZECRFJTHEE-UHFFFAOYSA-N 226.179 -0.856 50 20 BBGD CCO/C=C(/C#N)C(=O)Nn1c(O)nnc1O 820282270 MQLKLIUQXQFTFM-PLNGDYQASA-N 239.191 -0.797 50 20 BBGD CCc1cc(C(=O)NN(C)[C@@H](C)CO)n[nH]1 823977414 WJQOYSJCYAQSFT-ZETCQYMHSA-N 226.280 -0.071 50 20 BBGD O=C(NNC(=O)C1[C@H]2CCC[C@H]12)c1ncon1 832825815 IFVZEMKUSJGPRL-WDSKDSINSA-N 236.231 -0.123 50 20 BBGD COCCN(C)NC(=O)[C@@](C)(O)C1CC1 837628487 YTDBNLVYRPTZSO-JTQLQIEISA-N 216.281 -0.243 50 20 BBGD COC/C(C)=C/C(=O)NNC(=O)N(C)C 845337639 ZPQOMPXNDRQQNW-FNORWQNLSA-N 215.253 -0.119 50 20 BBGD O=C(NNc1ccc(F)cc1)C1(O)CNC1 852813445 MSPVOXKSIWIHKH-UHFFFAOYSA-N 225.223 -0.397 50 20 BBGD CCNC(=O)N(C)NC(=O)[C@@H](CC)NC 852823239 DCOLWOJSMRROJS-SSDOTTSWSA-N 216.285 -0.323 50 20 BBGD CC(C)[C@@H](C)C(=O)NNC(=O)[C@H]1CCC(=O)N1 862453864 AGTPYMBWMRDDAN-HTQZYQBOSA-N 241.291 -0.296 50 20 BBGD Cn1cc(/C=C(/C#N)C(=O)N2CC[C@H]2CO)cn1 889154806 QSFIDQUVCWNQAO-FGUAACIASA-N 246.270 -0.080 50 20 BBGD COC(=O)C(=O)NN=Cc1snnc1C 1261232464 HGRXYLDWBCFTMC-UHFFFAOYSA-N 228.233 -0.530 50 20 BBGD CCc1nocc1C(=O)NNC(=O)NC 1327813662 IYYOFVZKFRSMSB-UHFFFAOYSA-N 212.209 -0.189 50 20 BBGD Cn1cc(/C=C(\C#N)C(=O)N[C@H]2CNOC2)cn1 1579958524 FHGCPYTWDZUCFG-HDQHCQLZSA-N 247.258 -0.653 50 20 BBGD C[C@@H](O)CN(C)NC(=O)CCCC(=O)O 1593457040 OJGGKYSKWTYDQK-SSDOTTSWSA-N 218.253 -0.415 50 20 BBGD COCCN(C)NC(=O)[C@@H]1C[C@@H]1C(=O)O 1606881083 YHOCCURZOMFYQI-RQJHMYQMSA-N 216.237 -0.684 50 20 BBGD O=C(NNC(=O)[C@@H]1CCOC1)c1cccnc1 66895354 VVMLXHTWUVJBJN-SECBINFHSA-N 235.243 -0.121 50 20 BBGD Cc1nccn1-c1csc(B(O)O)c1 238500184 BJUNEJDLNKQNNQ-UHFFFAOYSA-N 208.051 -0.078 50 20 BBGD COc1cncc(C(=O)NNC(C)=O)n1 276677068 KDTJRZUVCHVDDH-UHFFFAOYSA-N 210.193 -0.734 50 20 BBGD CC(C)N(C)C(=O)c1ccc(B(O)O)cc1 309154289 NBPZIZKCPNLAOQ-UHFFFAOYSA-N 221.065 -0.153 50 20 BBGD CCOC(=O)NNC(=O)c1cncc(OC)n1 496002531 QHDICYIYHKVUEW-UHFFFAOYSA-N 240.219 -0.124 50 20 BBGD CCOC(=O)NCCC(=O)NN(C)CCOC 496182195 TXNGGMUZQTXNQY-UHFFFAOYSA-N 247.295 -0.268 50 20 BBGD CC[C@@H](CNCc1ccc(B(O)O)cc1)OC 585041340 NVWIKLDKXSWEEA-LBPRGKRZSA-N 237.108 -0.119 50 20 BBGD C[C@H](NCc1ccc(B(O)O)o1)c1ccn(C)n1 585046767 WAYUAPIYORCOSB-QMMMGPOBSA-N 249.079 -0.456 50 20 BBGD Cc1cc(C(=O)NCB(O)O)ccc1[N+](=O)[O-] 585057427 UIYCOAOSMDFHLZ-UHFFFAOYSA-N 238.008 -0.355 50 20 BBGD CC(C)[C@@H](C(=O)NCB(O)O)N1CCCCC1 585060100 MTWIKUQXYUUJLH-JTQLQIEISA-N 242.128 -0.375 50 20 BBGD CN(C)C(=O)NNC(=O)[C@@]1(O)CCSC1 765733987 HYVAVZDCOGWVES-MRVPVSSYSA-N 233.293 -0.843 50 20 BBGD C[C@H](O)CN(C)CC(=O)NNC(=O)C(C)(C)C 772775723 KFHWSUWCHQVSIK-QMMMGPOBSA-N 245.323 -0.508 50 20 BBGD Cc1c[nH]nc1C(=O)NNC(=O)C(C)(C)O 799725347 DPAAZXFAQKYUBI-UHFFFAOYSA-N 226.236 -0.750 50 20 BBGD CN1CC[C@H](C(=O)NN(C)C2CC2)C1=O 819649290 AECOHKCWTUJIDU-MRVPVSSYSA-N 211.265 -0.410 50 20 BBGD CCN(CCO)NC(=O)[C@H]1C[C@H]2CC(=O)[C@@H]1C2 823889008 FIFJHUAGZBWEBO-AEJSXWLSSA-N 240.303 -0.053 50 20 BBGD C[C@@H]1C[C@H]1C(=O)NNC(=O)c1ncon1 832820798 AMOAPAYTPBHXCZ-RFZPGFLSSA-N 210.193 -0.513 50 20 BBGD C[C@]1(CNS(N)(=O)=O)C[C@@H]1Br 856757365 YAWVNMGECOOKRO-CRCLSJGQSA-N 243.126 -0.047 50 20 BBGD COC[C@@H](OC)C(=O)NNC(=O)OC 856757826 UIWJEZDEKMIUOV-RXMQYKEDSA-N 206.198 -0.965 50 20 BBGD OB(O)c1cccc(CNC[C@H]2C[C@@H](O)C2)c1 863891742 BSUAAJHVZQJWSP-KLPPZKSPSA-N 235.092 -0.773 50 20 BBGD COCCN(C)NC(=O)c1csc(CO)n1 868242426 NOHWEDBWQZDLJQ-UHFFFAOYSA-N 245.304 -0.142 50 20 BBGD COCCOCCC(=O)NNc1nc[nH]n1 1117760006 JHTDFVGPTYZXDT-UHFFFAOYSA-N 229.240 -0.699 50 20 BBGD Cn1cc(C(=O)NN=Cc2cnn(C)c2N)cn1 1324925112 QHHOJZNNYXPQOA-UHFFFAOYSA-N 247.262 -0.500 50 20 BBGD Cn1ncnc1C=NNC(=O)N1CCOCC1 1326171406 ATKIJUHTEWWCDL-UHFFFAOYSA-N 238.251 -0.809 50 20 BBGD CNC(=O)CCCC(=O)NN(C)[C@@H](C)CO 1329805192 CGOKOIMAZXCBCW-QMMMGPOBSA-N 231.296 -0.754 50 20 BBGD COCCN(C)NC(=O)[C@@]1(F)CCOC1 1349823720 GXVVGNYMWKLAPT-SECBINFHSA-N 220.244 -0.276 50 20 BBGD CC(C)NC(=S)NNC(=O)[C@H](C)N(C)C 1352095087 HOPCAAZBKRGBBF-ZETCQYMHSA-N 232.353 -0.160 50 20 BBGD CC(C)NC(=O)NNC(=O)[C@@]1(C)CNCCO1 1575709186 FLDBBMBJSVVZNW-SNVBAGLBSA-N 244.295 -0.896 50 20 BBGD CCCC[C@H](N)C(=O)NNC(=O)c1cnn[nH]1 1577410401 DHCRBAQRWYAIOU-LURJTMIESA-N 240.267 -0.917 50 20 BBGD O=C(CO)NNC(=O)c1ccc([N+](=O)[O-])cc1 11638914 SPDUHQVHWTYAKX-UHFFFAOYSA-N 239.187 -0.652 50 20 BBGD CNC(=O)NNC(=O)c1ccc(C(N)=O)cc1 48949633 VJISBMCZOWUZSA-UHFFFAOYSA-N 236.231 -0.641 50 20 BBGD O=C(Cn1cccn1)NNC(=O)C1CCC1 264659884 DDDCVUJVFYIIIF-UHFFFAOYSA-N 222.248 -0.169 50 20 BBGD Cc1n[nH]c(SCC(=O)NN(C)C(N)=O)n1 272150725 GCNYZQWIFNXFSZ-UHFFFAOYSA-N 244.280 -0.753 50 20 BBGD CC(C)(O)C(=O)NNC(=O)c1ccc(F)nc1 277916134 IEBCBPGOLFHPSD-UHFFFAOYSA-N 241.222 -0.247 50 20 BBGD CCO/C=C(/C#N)C(=O)N[C@@H]1CCN(C)C1=O 490909625 OLYRWVDZGSFYHA-UFGYOYAJSA-N 237.259 -0.223 50 20 BBGD CCOC(=O)N[C@H](C(=O)NNC(C)=O)C(C)C 497039027 NDJUAUGBFMVNSN-QMMMGPOBSA-N 245.279 -0.076 50 20 BBGD CCc1nnc(COc2ccc(B(O)O)cc2)o1 584909156 HCYNCQYDWOBDCB-UHFFFAOYSA-N 248.047 -0.109 50 20 BBGD CCNC(=O)NNC(=O)CN(C)C(C)C 748717790 GRRRBVDYLAHMHY-UHFFFAOYSA-N 216.285 -0.323 50 20 BBGD CCOCC(=O)NNC(=O)Nc1cnn(C)c1 755493466 PBMOEWJJLVKUOF-UHFFFAOYSA-N 241.251 -0.391 50 20 BBGD CC[C@@H](CO)C(=O)NNC(=O)NCC1CC1 779748270 AWDUFFWICNZTQZ-QMMMGPOBSA-N 229.280 -0.255 50 20 BBGD COC(=O)CNC(=O)NN=Cc1c[nH]nc1C 779817649 LMTRESIYBCZCRG-UHFFFAOYSA-N 239.235 -0.476 50 20 BBGD CC[C@@H](C#N)C(=O)NNC(=O)C(C)(C)O 845993178 XFLJPWYUHXNFBW-LURJTMIESA-N 213.237 -0.546 50 20 BBGD CC(C)(CN)NS(=O)(=O)CBr 850582320 ORPZRYGHZDKNBO-UHFFFAOYSA-N 245.142 -0.005 50 20 BBGD C=C[C@H](CO)N[C@H](C)C(=O)NNC(=O)CC 852714426 OYGBWTRKUIOCJA-HTQZYQBOSA-N 229.280 -0.931 50 20 BBGD O=C(CO)NNC(=O)[C@@H]1[C@@H]2Cc3ccccc3[C@H]21 863903258 ACUMEVAOROCQFG-YUSALJHKSA-N 246.266 -0.288 50 20 BBGD COC/C=C\C(=O)NNC(=O)c1c[nH]nc1C 865568431 PDYFMWWRNATCRX-ARJAWSKDSA-N 238.247 -0.318 50 20 BBGD CCCn1cc(C=NNC(=O)C(C)(C)O)nn1 872367874 KDLODRBHOMKDOG-UHFFFAOYSA-N 239.279 -0.091 50 20 BBGD C[C@H](O)CN(C)NC(=O)c1ccnc2ccnn12 910183283 MPRHTTPGJBNKBQ-QMMMGPOBSA-N 249.274 -0.313 50 20 BBGD C/C(Cl)=C/C(=O)NNC(=O)[C@@H]1CCC(=O)N1 912978112 PQDVESYAOVFPOB-XSIKTDMUSA-N 245.666 -0.445 50 20 BBGD COC(=O)C(=O)NN=Cc1cccnc1 1318902620 GDINLPMWVJQHDZ-UHFFFAOYSA-N 207.189 -0.295 50 20 BBGD CC(=O)NNC(=O)[C@H]1CCC[C@@H](C(N)=O)C1 1326145910 NXPARMCPUHXUCX-SFYZADRCSA-N 227.264 -0.555 50 20 BBGD CCN(CCO)NC(=O)[C@H](C)[C@H]1CCC(=O)N1 1348953389 DNTXQWMBYWYXEG-RKDXNWHRSA-N 243.307 -0.754 50 20 BBGD CN(NC(=O)[C@H]1CC[C@@H](C(=O)O)C1)C(N)=O 1593765902 AEQFPSUOGPZZDK-NTSWFWBYSA-N 229.236 -0.471 50 20 BBGD O=C(CO)NNC(=O)Cc1ccccc1 11638919 HXNUSTHPQHEWFD-UHFFFAOYSA-N 208.217 -0.631 50 20 BBGD COc1ccnc(NNC(=O)CN(C)C)n1 171371238 DDBJQDSOZBWSBP-UHFFFAOYSA-N 225.252 -0.510 50 20 BBGD CCN(CC)CC(=O)NNC(=O)C(C)(C)O 190060542 LJGAYPHIUJRLFA-UHFFFAOYSA-N 231.296 -0.754 50 20 BBGD CC1(CNCc2cccc(B(O)O)c2)COC1 585023408 HRQLINNEIQAKNW-UHFFFAOYSA-N 235.092 -0.508 50 20 BBGD Cc1ccccc1NCCC(=O)NCB(O)O 585060169 BJQFQZXSUVRSRU-UHFFFAOYSA-N 236.080 -0.075 50 20 BBGD CN(C)CC(C)(C)CNC(=S)NNC(N)=O 727065483 SWBWXTFANJAFGQ-UHFFFAOYSA-N 247.368 -0.378 50 20 BBGD CCN(CCCO)CC(=O)NNC(=O)C1CC1 746489836 PPKPOUZIPJPTMT-UHFFFAOYSA-N 243.307 -0.752 50 20 BBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)C1(C)COC1 843661516 MFRMRYRNVRYGFR-JGVFFNPUSA-N 242.275 -0.405 50 20 BBGD Cc1ccnn1CC(=O)NNC(=O)C(C)(C)O 861206157 RERWARQJPMVGFM-UHFFFAOYSA-N 240.263 -0.890 50 20 BBGD CCC(=O)NNC(=O)[C@H](C)N(C)C[C@@H](C)N 863567060 BIGFBCUYHHRPSI-SFYZADRCSA-N 230.312 -0.789 50 20 BBGD COCCOCC(=O)NN=Cc1n[nH]cc1C 872400652 NYVGGOUNJKETFY-UHFFFAOYSA-N 240.263 -0.169 50 20 BBGD C[C@@H]1COC[C@@H]1NCc1ccc(B(O)O)cc1 896734447 WAFLARFYNCGEMT-SKDRFNHKSA-N 235.092 -0.509 50 20 BBGD C[C@H](O)CN(C)NC(=O)c1ccc(=O)n(C)c1 910171440 WUPUYFDZBRCWQJ-QMMMGPOBSA-N 239.275 -0.657 50 20 BBGD CCNC(=O)NNC(=S)NC1CCOCC1 1115972290 RAGBWSHJSDJWOA-UHFFFAOYSA-N 246.336 -0.136 50 20 BBGD CC(=O)NNC(=O)[C@@H](C)c1cnccn1 1119621385 SXVLQYZPYRZTKD-LURJTMIESA-N 208.221 -0.253 50 20 BBGD CNC(=O)NNC(=O)C(C)(C)CNC(C)=O 1261507559 CITDSLHOGCYMJV-UHFFFAOYSA-N 230.268 -0.891 50 20 BBGD C#Cc1ccc(C(=O)NNC(=O)NC)cn1 1318283105 YJTPXBBPYMYFHN-UHFFFAOYSA-N 218.216 -0.363 50 20 BBGD CNC(=O)NNC(=O)[C@H]1CCc2c[nH]nc2C1 1318794520 AQWCXZZCPRTFAP-LURJTMIESA-N 237.263 -0.525 50 20 BBGD Cc1ncncc1C(=O)NNC(=O)N(C)C 1320705596 SMYDIMYQBJFIAO-UHFFFAOYSA-N 223.236 -0.299 50 20 BBGD C=C(C)C[C@H](N)C(=O)NNC(=O)C1CC1 1574067375 PQUDGLOHCIZXMZ-QMMMGPOBSA-N 211.265 -0.163 50 20 BBGD COC(=O)CNC(=O)NN=CC[C@H](C)C(=O)O 1606471018 SWIVKJHTEFEICL-LURJTMIESA-N 245.235 -0.445 50 20 BBGD CC(C)NC(=O)NN[C@@]1(C)CCS(=O)(=O)C1 42839410 VMMKFWMQPBYXFA-VIFPVBQESA-N 249.336 -0.224 50 20 BBGD CC(C)NC(=S)NNC(=O)[C@H](C)O 306823947 RYDBEIJLGGYQDB-YFKPBYRVSA-N 205.283 -0.729 50 20 BBGD COC[C@@](C)(O)C(=O)NNC(=O)OC(C)(C)C 493037203 WDZIGGSSVAARAU-SNVBAGLBSA-N 248.279 -0.060 50 20 BBGD C[C@H]1C[C@@H]1NC(=O)c1ccc(B(O)O)c(F)c1 584940764 ZPBGWFJJYQVVOI-WKEGUHRASA-N 237.039 -0.356 50 20 BBGD C/C=C/C[C@H](CO)NCc1ccc(B(O)O)o1 585037159 WHRUPIGBWFYETF-GKQMSVHHSA-N 239.080 -0.624 50 20 BBGD Cc1cc(C#N)nc(N2CC[C@H](B(O)O)C2)n1 585078569 GYTCSMCZXCXVDB-QMMMGPOBSA-N 232.052 -0.290 50 20 BBGD CN1CCC[C@@H]1C(=O)NNC(=O)NC1CC1 733868790 AJMVTAJQDNZSHX-MRVPVSSYSA-N 226.280 -0.427 50 20 BBGD Cc1nonc1C(=O)NNc1ncccn1 733888037 HXAPDSAXSDZIHI-UHFFFAOYSA-N 220.192 -0.075 50 20 BBGD CN(C)C(=O)NNC(=O)C(C)(C)NC(=O)O 737349758 KIEHUDXGUQEZPP-UHFFFAOYSA-N 232.240 -0.665 50 20 BBGD CCC(=NNC(=O)C(N)=O)[C@@H]1CCOC1 741838485 WFFWSWGOEXXZAD-ZCFIWIBFSA-N 213.237 -0.610 50 20 BBGD CNC(=O)NNC(=O)[C@@H](C)N1CCSCC1 750854727 SAGZZSYRGHUFSO-SSDOTTSWSA-N 246.336 -0.616 50 20 BBGD COCC(=NNC(=O)C(=O)NC1CC1)C1CC1 754256516 DSPRNJSGORNXJC-UHFFFAOYSA-N 239.275 -0.206 50 20 BBGD Cc1cc(OCC(=O)NN(C)C(N)=O)no1 778411220 AYUUWSDLYKSJQK-UHFFFAOYSA-N 228.208 -0.596 50 20 BBGD COc1cc(C)ccc1C(=O)NNC(=O)CO 781967758 HESMHMQACRMZGJ-UHFFFAOYSA-N 238.243 -0.243 50 20 BBGD CNC(=O)C(=O)NNc1ccc(OC)cc1 789706067 LRRJGCRPLIBHRL-UHFFFAOYSA-N 223.232 -0.116 50 20 BBGD CC[C@@](C)(OC)C(=O)NNC(=O)C(C)(C)O 797756944 NQBQOVFOVDHRFB-SNVBAGLBSA-N 232.280 -0.280 50 20 BBGD CN(NC(=O)c1cccc(CO)c1)C(N)=O 798302596 YSCWXCTYXGMSAI-UHFFFAOYSA-N 223.232 -0.166 50 20 BBGD COCCN(C)NC(=O)CN(C)C(C)C 808073176 FUKTUXKIHXLUPV-UHFFFAOYSA-N 217.313 -0.064 50 20 BBGD CCNC(=O)N(C)NC(=O)C(OC)OC 821784241 YINKAPYDHYDMDZ-UHFFFAOYSA-N 219.241 -0.702 50 20 BBGD CN(C)CC(=O)NN=Cc1c[nH]c(C(=O)O)c1 830596106 FPJDLZPWYHHUIG-UHFFFAOYSA-N 238.247 -0.275 50 20 BBGD C=C[C@](C)(O)C(=O)NNC(=O)[C@@H]1CCCCO1 854682732 GFSOZRSOORPVAX-KWQFWETISA-N 242.275 -0.360 50 20 BBGD COc1ccnc(NNC(=O)c2ncc[nH]2)n1 857436417 ASHOVJKIAPLVSH-UHFFFAOYSA-N 234.219 -0.035 50 20 BBGD O=C(OC[C@@H]1CCCO1)N1CC[C@H](B(O)O)C1 864232105 LFNOKDSJRJYTKE-IUCAKERBSA-N 243.068 -0.149 50 20 BBGD CC[C@H](NC(C)=O)C(=O)NNC(C)=O 1118979707 XDEVUTFFVPYMDE-ZETCQYMHSA-N 201.226 -0.932 50 20 BBGD C[C@H](O)CN(C)NC(=O)Cc1cc[nH]n1 1332174201 AXJBPZSEBHEEBD-ZETCQYMHSA-N 212.253 -0.704 50 20 BBGD CC[C@H](F)C(=O)NNC(=O)c1ccnnc1 1339046229 UHDLZQYFVHBBAM-ZETCQYMHSA-N 226.211 -0.014 50 20 BBGD O=C(O)C(=O)NN=Cc1ccccc1C(=O)O 1601635832 LJOPGSNNGJVWNC-UHFFFAOYSA-N 236.183 -0.081 50 20 BBGD C[C@@H](CO)N(C)NC(=O)[C@]1(C(=O)O)C[C@H]1C 1603201718 HSEZNDHLUFTRKA-FWWHASMVSA-N 230.264 -0.559 50 20 BBGD N#CCCCNCc1ccc(B(O)O)cc1F 585033667 AIZDEXPYFDMCEY-UHFFFAOYSA-N 236.055 -0.101 50 20 BBGD CCO[C@H]1C[C@H]1NCc1cccc(B(O)O)c1 585038348 AZZJACMHDGTUTJ-NEPJUHHUSA-N 235.092 -0.367 50 20 BBGD C[C@@H](C#N)C(=O)NNC(=O)N1CCOCC1 746178576 MEWPWXBJBKRUIE-ZETCQYMHSA-N 226.236 -0.781 50 20 BBGD C[C@H]1C[C@@H](C(=O)NNC(=O)CN(C)C)CO1 784772406 GLTXWVFCPRCSEK-JGVFFNPUSA-N 229.280 -0.880 50 20 BBGD Cc1n[nH]c(C)c1CC(=O)NNC(=O)N(C)C 786845234 MLXWWPQQQNAXJH-UHFFFAOYSA-N 239.279 -0.129 50 20 BBGD O=C(NNc1nc[nH]n1)C1=COCCC1 816631858 IWRUUJFNLCKQDJ-UHFFFAOYSA-N 209.209 -0.058 50 20 BBGD CCCCNC(=O)NNC(=O)[C@@H](COC)OC 823755926 OCXDZIFTCXXSGB-MRVPVSSYSA-N 247.295 -0.222 50 20 BBGD C[C@H](CO)N(C)NC(=O)/C=C\[C@H]1CCOC1 823918071 QZMNTIYSEAKIRW-QKMQQOOLSA-N 228.292 -0.077 50 20 BBGD COC1(C(=O)NN(C)[C@@H](C)CO)CCC1 823934567 HRWKSTRCTZSJEE-QMMMGPOBSA-N 216.281 -0.101 50 20 BBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)C(F)F 843975698 OJAHZGCBFVWDKM-RFZPGFLSSA-N 222.191 -0.176 50 20 BBGD C[C@@H]1[C@H](C(=O)NNC(=O)CN(C)C)CCN1C 844132738 LMZNZHMESUEMCF-RKDXNWHRSA-N 242.323 -0.964 50 20 BBGD CN(NC(=O)[C@H]1CCCS(=O)(=O)C1)C1CC1 846267713 BKQBJYVCTZFUKT-QMMMGPOBSA-N 246.332 -0.063 50 20 BBGD Cc1cccnc1NNC(=O)[C@]1(O)CCOC1 857494150 RTPNOBBXFZROKT-NSHDSACASA-N 237.259 -0.015 50 20 BBGD C[C@H](C(=O)NNC(=O)c1cccnc1)N(C)C 873737841 FXPWXCWIKVZTNW-MRVPVSSYSA-N 236.275 -0.207 50 20 BBGD COCCN(C)NC(=O)c1nc(=N)cc[nH]1 883128460 IKKLWFSLWOTTMH-UHFFFAOYSA-N 225.252 -0.888 50 20 BBGD CNC(=O)NNC(=O)c1cc(C)ncn1 1319617048 FEWKPHGOBDXLJF-UHFFFAOYSA-N 209.209 -0.641 50 20 BBGD C[C@H](CO)N(C)NC(=O)[C@@H]1CCN(C)C(=O)C1 1329862828 RYJSHKAXVFPVAS-RKDXNWHRSA-N 243.307 -0.801 50 20 BBGD O=C(CO[C@@H]1CCOC1)NNc1cccnn1 1342261350 AQDQFRQMQIJBMI-MRVPVSSYSA-N 238.247 -0.275 50 20 BBGD O=C(NNC(=O)[C@]12C[C@H]1CCCN2)C1CC1 1580736242 PLPGFEIQCNJJON-KCJUWKMLSA-N 223.276 -0.314 50 20 BBGD CC(C)CNC(=O)NNC(=O)C(=O)O 1591374718 YMLHQVQVFXQKDI-UHFFFAOYSA-N 203.198 -0.943 50 20 BBGD O=C(O)CNC(=O)NN=Cc1ccc(O)cn1 1602071981 GIIVQGCFWQWVIQ-UHFFFAOYSA-N 238.203 -0.495 50 20 BBGD C=C[C@H](NNC(=O)[C@@H]1C[C@H]2CC[C@H]1O2)C(=O)O 1602819259 QXNMLDMQWRUHNJ-LURQLKTLSA-N 240.259 -0.186 50 20 BBGD CCN(CC)C(=O)CCC(=O)NNC(=O)NC 87188545 XVGGFFLOWWRXSX-UHFFFAOYSA-N 244.295 -0.405 50 20 BBGD COCCN(C)NC(=O)c1ccnn1C 288345022 FXELMINUKZTSQJ-UHFFFAOYSA-N 212.253 -0.357 50 20 BBGD Cc1cc(C)n(CC(=O)NNC(=O)C(F)F)n1 298271291 FASLCDAZPQKUPW-UHFFFAOYSA-N 246.217 -0.088 50 20 BBGD C[C@H]1CN(S(=O)(=O)CCl)C[C@@H]1O 306629024 CABPKLOWGFUJCV-WDSKDSINSA-N 213.686 -0.175 50 20 BBGD CN(C)CCCNCc1ccc(B(O)O)cc1 585014294 MPJXLRUQMDLUBN-UHFFFAOYSA-N 236.124 -0.592 50 20 BBGD CC[C@@H](C(=O)NCB(O)O)N(CC)CC 585061570 VRGHHORIDBTPJN-QMMMGPOBSA-N 216.090 -0.765 50 20 BBGD CCOCC(=O)NN=Cc1cnn(C)c1 731154202 ZIFZMXISGCAUSF-UHFFFAOYSA-N 210.237 -0.093 50 20 BBGD COCCOCC(=O)NNC(=O)C1CCC1 733155724 QRDADWAHOBPRIL-UHFFFAOYSA-N 230.264 -0.403 50 20 BBGD Cc1nonc1C(=O)NNc1cnccn1 736680345 HESYRORUIVUADR-UHFFFAOYSA-N 220.192 -0.075 50 20 BBGD COc1nccnc1NNC(=O)CNC(C)=O 764469789 NHRPSVIQXBEMQO-UHFFFAOYSA-N 239.235 -0.936 50 20 BBGD COCC1(C(=O)NNC(=O)N(C)C)CC1 778672006 OBJKCNZXTOPPMR-UHFFFAOYSA-N 215.253 -0.285 50 20 BBGD CCN(CCO)NC(=O)[C@H]1C[C@@]12CCOC2 823873517 CEGBWSVLLWCCNY-MWLCHTKSSA-N 228.292 -0.242 50 20 BBGD CC1=NO[C@@H](C(=O)NNC(=O)C(C)(C)O)C1 832754655 OGGXXAGRWGVIBM-ZCFIWIBFSA-N 229.236 -0.931 50 20 BBGD C=C(CN(C)C)C(=O)NNC(=O)c1cccnn1 921314799 HHQADXARSMNKMC-UHFFFAOYSA-N 249.274 -0.645 50 20 BBGD Cn1cnc(C(=O)NNc2cccnn2)c1 1320053468 LNAIYLOROZILHM-UHFFFAOYSA-N 218.220 -0.033 50 20 BBGD C#CCCCC(=O)NNC(=O)C(=O)NC(C)C 1324593314 VYQFQYFSFUXEBK-UHFFFAOYSA-N 239.275 -0.538 50 20 BBGD Cc1nnc(NNC(=O)C(F)F)nc1O 1325866340 LUYQVTJAQPNEAA-UHFFFAOYSA-N 219.151 -0.406 50 20 BBGD C[C@@H](CO)N(C)NC(=O)C(=O)c1cccn1C 1329862858 SHBLBUMTLHZNDT-QMMMGPOBSA-N 239.275 -0.448 50 20 BBGD N#C/C(=C\c1cn(CC(=O)O)nn1)C(=O)O 1608170572 SCWUTMBYIKXSAZ-ORCRQEGFSA-N 222.160 -0.646 50 20 BBGD CCO/C=C(\C#N)C(=O)NCC(=O)OC 269577776 OMGVFBPQLKCXGJ-VOTSOKGWSA-N 212.205 -0.280 50 20 BBGD COC(=O)N(C)NC(=O)[C@H](O)c1cccnc1 286552015 ZGBMEHMWXPXGBT-MRVPVSSYSA-N 239.231 -0.156 50 20 BBGD O=C(Nc1cccc(B(O)O)c1)C1CCOCC1 405005192 OPAYOLILZCCENX-UHFFFAOYSA-N 249.075 -0.269 50 20 BBGD CCO/C=C(/C#N)C(=O)N[C@@H](CO)COC 491047968 JTIDXRZDWBXDIW-XZLDQRQTSA-N 228.248 -0.446 50 20 BBGD CCO/C=C(/C#N)C(=O)N[C@@H]1COC[C@H]1OC 491107474 VNEVVFWXNXWHFF-MMIMJOASSA-N 240.259 -0.040 50 20 BBGD C[C@H]1OCC[C@@H]1NCc1ccc(B(O)O)o1 585031314 CNSGSOQWBWRHPG-APPZFPTMSA-N 225.053 -0.774 50 20 BBGD COc1ccc(C)cc1C=NNC(=O)C(N)=O 744575287 LLPKRYJIHOZDRH-UHFFFAOYSA-N 235.243 -0.061 50 20 BBGD COC(=O)CNC(=O)NN=C[C@@H]1CCOC1 779820579 GANXDNNZEMDSDR-ZETCQYMHSA-N 229.236 -0.519 50 20 BBGD CNC(=O)NNC(=O)[C@@H](OC)C1CC1 792086674 XGWSSPCFJRHVAT-LURJTMIESA-N 201.226 -0.628 50 20 BBGD Cc1cc(C(=O)NN(C)C[C@H](C)O)n(C)n1 821216946 BDMCYICKQFPYFG-QMMMGPOBSA-N 226.280 -0.314 50 20 BBGD C#CCCNC(=O)NNC(=O)[C@H]1CCO[C@H]1C 825994604 LHKXHJDQMNYQFK-IUCAKERBSA-N 239.275 -0.235 50 20 BBGD CC(=O)NNC(=O)c1cnc(C)nc1N 854155305 JMIBHXDCRVUXBX-UHFFFAOYSA-N 209.209 -0.852 50 20 BBGD O=C(NNC(=O)c1cc[nH]n1)C1=CCCCO1 855358664 RGYYYWRVUHINHH-UHFFFAOYSA-N 236.231 -0.135 50 20 BBGD O=C(C[C@@H]1CCCO1)NNC(=O)c1cc[nH]n1 855358985 APOZYEMSIJIGMC-ZETCQYMHSA-N 238.247 -0.260 50 20 BBGD Cc1cccc(NNC(=O)CS(C)(=O)=O)n1 862523705 LPMWLGALMKJAEK-UHFFFAOYSA-N 243.288 -0.122 50 20 BBGD CCOC1CC(=NNC(=O)CS(C)(=O)=O)C1 863186315 WEDZKYIADNWCGW-UHFFFAOYSA-N 248.304 -0.298 50 20 BBGD COCCN(C)NC(=O)c1cnc(O)n1C 868242251 HQFLSBLXOFFQKM-UHFFFAOYSA-N 228.252 -0.651 50 20 BBGD C[C@@H](O)CN(C)NC(=O)[C@H](C)c1cnccn1 910184559 SZODBGKPQIYINS-RKDXNWHRSA-N 238.291 -0.076 50 20 BBGD C[C@H](O)CN(C)NC(=O)[C@@H]1[C@H]2CCC(=O)[C@H]21 910185045 XFYRONQMUGAKOL-ZRUAGYDASA-N 226.276 -0.445 50 20 BBGD CNC(=O)NNC(=O)c1cnn2c1OCCC2 1117702359 VAHNFNYWVBQFBZ-UHFFFAOYSA-N 239.235 -0.761 50 20 BBGD CN(C)C(=O)NNC(=O)CCc1cncn1C 1256331300 FQWZDPMXIHSQPT-UHFFFAOYSA-N 239.279 -0.345 50 20 BBGD CNC(=O)NNC(=O)c1cccnc1O 1321254792 WDDSNRRJXHFNNG-UHFFFAOYSA-N 210.193 -0.639 50 20 BBGD C[C@H](C(=O)NN(C)C1CC1)n1cnc(C#N)n1 1325865017 VWAFNDRMHJWAGK-SSDOTTSWSA-N 234.263 -0.164 50 20 BBGD O=C(Cc1ncc[nH]1)NNc1ncccn1 1329989665 XGPBOQKVTYVMMT-UHFFFAOYSA-N 218.220 -0.115 50 20 BBGD CCOc1cc(C(=O)NN(C)[C@@H](C)CO)[nH]n1 1330880063 PLQIRQQNKFFTKU-ZETCQYMHSA-N 242.279 -0.234 50 20 BBGD N#CC(C#N)=CNC[C@@H]1CC[C@H](C(N)=O)O1 1332658541 VALOBQKQKOHOGS-DTWKUNHWSA-N 220.232 -0.460 50 20 BBGD N#CSCCCNC(=O)C[C@@H]1CC(=O)N1 1334387909 CWCKGVPGAOBACQ-SSDOTTSWSA-N 227.289 -0.014 50 20 BBGD N#Cc1nccc(N2CC[C@H](B(O)O)C2)n1 1336939648 MITWXNVAHUDOOL-ZETCQYMHSA-N 218.025 -0.599 50 20 BBGD CN1CC[C@H]1CNC(=O)NNc1ccncn1 1342338677 VRQQAONJWNKSQA-QMMMGPOBSA-N 236.279 -0.193 50 20 BBGD O=C(CC1CC1)NNC(=O)c1ccc[n+]([O-])c1 1344352633 VNCLLNGFGMAMQA-UHFFFAOYSA-N 235.243 -0.119 50 20 BBGD CN(N)C(=O)Cn1ncc(=O)c2ccccc21 1573883091 YIMGFFBPHAKSLJ-UHFFFAOYSA-N 232.243 -0.271 50 20 BBGD O=C(O)CC(=O)NNC(=S)NCC1CCC1 1608664622 ZUDSGMBEOTXTSN-UHFFFAOYSA-N 245.304 -0.244 50 20 BBGD O=C(CCc1ccccc1)NCB(O)O 195522703 KMQKIHUEXMRGPQ-UHFFFAOYSA-N 207.038 -0.253 50 20 BBGD O=C(CC1CC1)NNC(=O)Cn1cccn1 294097431 JAHMCUDKOKAUQH-UHFFFAOYSA-N 222.248 -0.169 50 20 BBGD C#CCn1ccnc1C=NNC(=O)NC 491746224 YINGHQRVKSOMMT-UHFFFAOYSA-N 205.221 -0.221 50 20 BBGD C=CCSCCNCc1ccc(B(O)O)o1 585022687 WJUITPUCJNPEHB-UHFFFAOYSA-N 241.121 -0.032 50 20 BBGD OB(O)c1ccccc1CN[C@@H]1CCSC1 585039210 QCRMUADUTOHSOC-SNVBAGLBSA-N 237.133 -0.039 50 20 BBGD CC(C)[C@@H](CO)CNCc1ccc(B(O)O)o1 585040859 QTPNCCRFBRAYRZ-SECBINFHSA-N 241.096 -0.687 50 20 BBGD COC[C@H]1CC[C@H]1NCc1ccccc1B(O)O 585042608 FILOKTBMGOKHLE-DGCLKSJQSA-N 249.119 -0.119 50 20 BBGD Cc1ncc(CNCc2cccc(B(O)O)c2)o1 585046525 SIOREKQXBNTUQA-UHFFFAOYSA-N 246.075 -0.047 50 20 BBGD Cc1nc(C(=O)NCB(O)O)c(C)s1 585062005 BMEKATBYWYYZMB-UHFFFAOYSA-N 214.055 -0.498 50 20 BBGD O=C(NCC1CC1)NNC(=O)[C@H]1C[C@H]1C(=O)O 739408494 YXXWQOUMGQGOKV-NKWVEPMBSA-N 241.247 -0.553 50 20 BBGD Cc1[nH]nc(C(=O)NNc2ncccn2)c1O 747651011 LOIBBPSPKMLTKT-UHFFFAOYSA-N 234.219 -0.029 50 20 BBGD Cc1ccc(CC(=O)NNC(=O)CO)cn1 753436941 DZFKLVWQRMSXOV-UHFFFAOYSA-N 223.232 -0.928 50 20 BBGD Cc1cc(C(=O)NNC(=O)c2cnc[nH]2)n[nH]1 768275927 DYSHFCCUXZZQFR-UHFFFAOYSA-N 234.219 -0.484 50 20 BBGD NC(=O)C1(C(=O)NNc2cnccn2)CCC1 775278968 PGGIOHFIOLLXIW-UHFFFAOYSA-N 235.247 -0.425 50 20 BBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)C1CC(=O)C1 843977075 FMSZNYCRGAOPOX-MUWHJKNJSA-N 240.259 -0.462 50 20 BBGD CC(=O)NNC(=O)c1cnn(C2CC2)c1 858108754 GGSLCWYQZDFFQH-UHFFFAOYSA-N 208.221 -0.001 50 20 BBGD O=C(c1cccc(B(O)O)c1)N1CCC[C@H]2C[C@H]21 863881964 DDNPCWYFEPRCML-JOYOIKCWSA-N 245.087 -0.009 50 20 BBGD C#C[C@](C)(CC)NC(=O)c1ccc(B(O)O)cc1 863883556 FLTFEIAMMDYBJX-CYBMUJFWSA-N 245.087 -0.102 50 20 BBGD CCCONC(=O)c1cccc(B(O)O)c1 863884373 JHNNTPMPOQXELM-UHFFFAOYSA-N 223.037 -0.562 50 20 BBGD O=C(O)[C@H]1C[C@H](NCc2ccc(B(O)O)cc2)C1 901711806 XEQQSFYTBXIYRT-HOMQSWHASA-N 249.075 -0.681 50 20 BBGD CCN1CCO[C@@H](C(=O)NN(C)C[C@@H](C)O)C1 910163941 UIWUFNBSEYNGHT-NXEZZACHSA-N 245.323 -0.949 50 20 BBGD C[C@H]1COC(=O)C1=NNC(=O)c1cccnn1 1119302485 QLUFEYTXUATSJW-LURJTMIESA-N 234.215 -0.245 50 20 BBGD CO[C@H]1CS(=O)(=O)C[C@H]1NC=C(C#N)C#N 1329277212 NYEVQGYZYRXSMA-BDAKNGLRSA-N 241.272 -0.681 50 20 BBGD N#C[C@H]1CC[C@@H](NC(=O)NNC(=O)C(=O)O)C1 1601079633 OQWYMHQTDRFPKT-NTSWFWBYSA-N 240.219 -0.906 50 20 BBGD O=C(NN=Cc1c[nH]c(C(=O)O)c1)c1ncon1 1776105957 KSRRLCSKTWZBAV-UHFFFAOYSA-N 249.186 -0.140 50 20 BBGD NNC(=O)CCNC(=O)c1ccsc1 36962710 MHZFDDYIZMOKSH-UHFFFAOYSA-N 213.262 -0.142 50 20 BBGD Cc1cccc(OCC(=O)NNC(=O)CO)c1 180958304 ZOVWOAAHABATGT-UHFFFAOYSA-N 238.243 -0.486 50 20 BBGD CCCNC(=O)CCCC(=O)NN(C)C(N)=O 181073049 PEZANDKPXLBPRK-UHFFFAOYSA-N 244.295 -0.275 50 20 BBGD CCn1cnnc1CNS(=O)(=O)CCl 230760405 RCIHNOVLDREBDP-UHFFFAOYSA-N 238.700 -0.086 50 20 BBGD CCOC(=O)NCC(=O)NNc1cccnn1 492172942 MHUSEJQDLAPNLK-UHFFFAOYSA-N 239.235 -0.334 50 20 BBGD CO[C@@]1(C)C[C@H]1NCc1ccccc1B(O)O 585050435 YQXONXPAHQXSPM-NEPJUHHUSA-N 235.092 -0.367 50 20 BBGD CC(C)(O)c1nc(-c2ccc(B(O)O)cc2)no1 585055156 RYIYUKCSEPTDEO-UHFFFAOYSA-N 248.047 -0.356 50 20 BBGD O=C(NCB(O)O)[C@@H]1C[C@H]2C[C@H]1[C@@H]1C[C@@H]21 585067652 UCTWKHBJTMOAFG-QMGXLNLGSA-N 209.054 -0.593 50 20 BBGD CC(C)[C@@H](C(=O)N1CC[C@@H](B(O)O)C1)N(C)C 585070328 VOZIZVFDHDSEIL-ZJUUUORDSA-N 242.128 -0.352 50 20 BBGD CC(=O)NNC(=O)c1ccc2nncn2c1 749715997 YBWVVBKXPSINBK-UHFFFAOYSA-N 219.204 -0.490 50 20 BBGD CCCNC(=O)NNC(=O)C1(O)CCOCC1 772450693 NKSUZBLCOMODQS-UHFFFAOYSA-N 245.279 -0.732 50 20 BBGD CC[C@H](CO)C(=O)NNc1cccnn1 779838816 FDTQSLQVDGHYDO-SSDOTTSWSA-N 210.237 -0.062 50 20 BBGD CON=CC(=O)NNC(=O)c1cccc(C#N)c1 809666100 NLWIHDCHMSOLGR-UHFFFAOYSA-N 246.226 -0.049 50 20 BBGD CC(C[C@H]1CCC(=O)N1)=NNC(=O)CN(C)C 811640854 CIVYCFATDKJMGG-SECBINFHSA-N 240.307 -0.291 50 20 BBGD COC[C@@](C)(O)C(=O)NN(C)C1CC1 819649196 JPXKXMKBSRYTIC-SECBINFHSA-N 202.254 -0.491 50 20 BBGD CCN(CCO)NC(=O)c1cc(OC)no1 823874845 ZAPOQKLKTPUQGS-UHFFFAOYSA-N 229.236 -0.358 50 20 BBGD C[C@H]1OCC[C@@H]1C(=O)NN=Cc1cnc(N)nc1 842559421 CFMPLEZZZNHRNI-APPZFPTMSA-N 249.274 -0.066 50 20 BBGD C[C@@H]1OCC[C@H]1C(=O)NN=Cc1cnn(C)n1 842560084 KSJYMMBUAAWCQB-IONNQARKSA-N 237.263 -0.310 50 20 BBGD CCOCCCC(=O)NNC(=O)c1cc[nH]n1 855359435 RIIKUQARUUAGAF-UHFFFAOYSA-N 240.263 -0.013 50 20 BBGD COC(=O)N(C)NC(=O)c1cc(O)ncn1 861656153 BGJOBVROAOMWPS-UHFFFAOYSA-N 226.192 -0.475 50 20 BBGD CC[C@H](OC)C(=O)NNC(=O)COCCOC 869908994 DWFQSKIBKALYOW-QMMMGPOBSA-N 248.279 -0.778 50 20 BBGD O=C(NNc1nc[nH]n1)c1ccncc1 1117722444 WXPRJUJDLMBRJG-UHFFFAOYSA-N 204.193 -0.043 50 20 BBGD CC(=NNC(=O)C(N)=O)c1nccnc1C 1321633535 HPKWWSOEYZBYFG-UHFFFAOYSA-N 221.220 -0.889 50 20 BBGD O=C(NNC(=O)[C@@H]1CCOC1)c1ccnnc1 1327598429 JIVLXOZAYHLXPS-MRVPVSSYSA-N 236.231 -0.726 50 20 BBGD Cc1cc(C=NNC(=O)[C@H]2CCC(=O)N2)ncn1 1331820129 FFHSYDBPSKRIJE-SECBINFHSA-N 247.258 -0.486 50 20 BBGD COCCN(C)NC(=O)CCc1nccn1C 1348622772 JPYOUMWHVLOPCA-UHFFFAOYSA-N 240.307 -0.038 50 20 BBGD CNC(=O)NNC(=O)CC1CC(N)C1 1578558781 XDEWKRFOHVCJIH-UHFFFAOYSA-N 200.242 -0.926 50 20 BBGD CO[C@H](C(=O)O)C(=O)NNc1ccnc(F)c1 1593910893 CRBBVFJCAKDAMU-ZETCQYMHSA-N 243.194 -0.237 50 20 BBGD C[C@@H](CC(=O)O)NS(=O)(=O)CCl 1599834341 SDKNLDZGKQMAEU-BYPYZUCNSA-N 215.658 -0.035 50 20 BBGD O=C(NCCC(F)(F)F)NNC(=O)C(=O)O 1601491823 HROBZQBKXFXWFB-UHFFFAOYSA-N 243.141 -0.646 50 20 BBGD C[C@@H](F)CCNC(=O)NNC(=O)C(=O)O 1604251894 CKDSUWVJJQBWRL-SCSAIBSYSA-N 221.188 -0.851 50 20 BBGD CC[C@@H](C)[C@@H](C)NC(=O)NNC(=O)C(=O)O 1609898596 HGFOHHOWOOSMNM-PHDIDXHHSA-N 231.252 -0.164 50 20 BBGD CC(=O)NNC(=O)CNC(=O)c1cccs1 23199195 QAZJLNYRIYTMDY-UHFFFAOYSA-N 241.272 -0.355 50 20 BBGD COc1nccnc1NNC(=O)CN(C)C 131917743 PTVRETIHMDLLOV-UHFFFAOYSA-N 225.252 -0.510 50 20 BBGD CCN(CC(N)=O)S(=O)(=O)CCCCl 231827028 HWRXHKSYMHLTPC-UHFFFAOYSA-N 242.728 -0.248 50 20 BBGD COC(=O)[C@@H]1CC[C@@H]1C(=O)NNC(=O)C1CC1 285303143 YGZDFZUBIPMBOD-JGVFFNPUSA-N 240.259 -0.257 50 20 BBGD CCN1CCOC[C@@H]1C(=O)NN(C)C(=O)OC 376017690 RWLBVRHYVDWXGS-MRVPVSSYSA-N 245.279 -0.564 50 20 BBGD O=C1NC(=O)[C@H]2CN(C(=O)CCl)CC[C@H]12 409429369 RBAGFLDBLNVPRQ-WDSKDSINSA-N 230.651 -0.654 50 20 BBGD OC[C@H]1C=C[C@@H](NCc2ccccc2B(O)O)C1 585035003 WQWZNJUXEZQUHI-CMPLNLGQSA-N 247.103 -0.607 50 20 BBGD CCc1cccc(S(=O)(=O)NCB(O)O)c1 585055765 ITTHPHRHTYXIGA-UHFFFAOYSA-N 243.093 -0.461 50 20 BBGD CN(Cc1ccccc1)C(=O)NCB(O)O 585059275 HFNREJJBCIJPGI-UHFFFAOYSA-N 222.053 -0.160 50 20 BBGD Cc1nsc(N2CC[C@H](B(O)O)C2)n1 585074032 RRIZNGDQBKNPSQ-LURJTMIESA-N 213.071 -0.100 50 20 BBGD CCC(=O)NNC(=O)[C@@H](C)N1CCO[C@@H](C)C1 731849042 RPPWWPRTMVBCFB-DTWKUNHWSA-N 243.307 -0.347 50 20 BBGD COc1nc(C)ccc1C(=O)NNC(=O)CO 753452420 SMKHWKBNYXOCRQ-UHFFFAOYSA-N 239.231 -0.848 50 20 BBGD CC(=O)NNC(=O)c1nccn2cc(C)nc12 761392403 QYTCESJEKJUZFN-UHFFFAOYSA-N 233.231 -0.181 50 20 BBGD CN(NC(=O)COc1ccc(C#N)cc1)C(N)=O 778415949 VVWYLLLKNCTSQE-UHFFFAOYSA-N 248.242 -0.021 50 20 BBGD COCC(=NNC(=O)NCC(=O)OC)C1CC1 779823079 KESDKZSTXXISNG-UHFFFAOYSA-N 243.263 -0.129 50 20 BBGD CC(=O)NNS(=O)(=O)c1ccc(C#N)s1 797815744 XPFKHWYQZBBJSV-UHFFFAOYSA-N 245.285 -0.051 50 20 BBGD CCC(=O)NNC(=O)COCCOC 811914711 QNPSRPBJYHZSOE-UHFFFAOYSA-N 204.226 -0.793 50 20 BBGD CCOC(=O)[C@@H]1C[C@H]1C(=O)NN(C)C[C@H](C)O 822556371 FKZSYTMXQKKREO-DJLDLDEBSA-N 244.291 -0.471 50 20 BBGD CCN(CCO)NC(=O)C(C)(C)CNC(C)=O 823893680 SASKRBTWWFNGKC-UHFFFAOYSA-N 245.323 -0.506 50 20 BBGD C=C[C@@](C)(O)C(=O)NNC(=O)Cc1cccnc1 826123713 USEJXLIYAZNJGN-GFCCVEGCSA-N 249.270 -0.292 50 20 BBGD N#CSCCCNC(=O)[C@@H]1CCNC1=O 854366526 BJBGMWFTMUKGCB-ZETCQYMHSA-N 227.289 -0.157 50 20 BBGD CNC(=S)N(C)NC(=O)c1cc(OC)no1 854922308 FPORJESWLQAUCM-UHFFFAOYSA-N 244.276 -0.236 50 20 BBGD COC(=O)NCCC(=O)NN(C)C[C@@H](C)O 910168762 VNGWGMMTCQYUSK-SSDOTTSWSA-N 233.268 -0.924 50 20 BBGD CCc1ncncc1C(=O)NN(C)C[C@@H](C)O 910170474 MDEMROCJRSIXNX-MRVPVSSYSA-N 238.291 -0.004 50 20 BBGD O=C1CC[C@H](C(=O)NN=CC[C@@H]2CCOC2)N1 1329192557 SOXBONFNUBRPSQ-RKDXNWHRSA-N 239.275 -0.206 50 20 BBGD CCO/C=C(\C#N)C(=O)N[C@@H]1CCOC[C@H]1O 1330932808 FPMMYUKHTAVUSB-IZRRHEBBSA-N 240.259 -0.304 50 20 BBGD O=C(NNC(=O)[C@@H](O)C1CC1)C1CCOCC1 1332350365 CUCRTWOFUSSCSH-VIFPVBQESA-N 242.275 -0.669 50 20 BBGD C[C@H](CO)N(C)NC(=O)C1CCC(O)CC1 1336010920 MAWNYSHCKHRXPN-XNWIYYODSA-N 230.308 -0.119 50 20 BBGD COC(=O)N(C)NC(=O)c1cnnn1C 1346734705 GHIPGPHZMQBTDC-UHFFFAOYSA-N 213.197 -0.842 50 20 BBGD C[C@@H]1CO[C@@H](C(=O)NNC(=O)CCCN)C1 1576856185 IPJUPDGYYIKSTI-JGVFFNPUSA-N 229.280 -0.702 50 20 BBGD C/C=C\[C@H](O)C(=O)NNC(=O)[C@@H]1CCCNC1 1576913550 CLSBGYBIGHRRTB-SJLHTBIVSA-N 241.291 -0.930 50 20 BBGD CCCNC(=O)NNC(=O)CCCC(=O)O 1605332201 VVRRFJGXCBVDFS-UHFFFAOYSA-N 231.252 -0.018 50 20 BBGD C=CCNC(=S)NNC(=O)c1cnccn1 41961934 KNIYOJQCTNDUOM-UHFFFAOYSA-N 237.288 -0.229 50 20 BBGD Cc1cc(NC(=O)NNC(=O)CN(C)C)no1 155439079 AJOFCCZCTIAXCR-UHFFFAOYSA-N 241.251 -0.303 50 20 BBGD CN(C)CC(=O)NNC(=O)C(C)(C)C 171379549 ARIIRKKTYIAUPB-UHFFFAOYSA-N 201.270 -0.259 50 20 BBGD O=C(CO)NNC(=O)c1ccc(F)cc1O 182769640 PYWVPPQAADMDGA-UHFFFAOYSA-N 228.179 -0.715 50 20 BBGD CCNC(=O)N(C)NC(=O)C1CC(=O)C1 272668311 JVDIOIVYZQHPLK-UHFFFAOYSA-N 213.237 -0.342 50 20 BBGD COc1ccccc1C(=O)NNC(=O)[C@@H](C)O 276109801 ANXAQXTVWMVNTK-SSDOTTSWSA-N 238.243 -0.163 50 20 BBGD C[C@H](CC#N)NC(=O)c1ccc(B(O)O)cc1 584944389 LFFYIBWNINPXOR-MRVPVSSYSA-N 232.048 -0.602 50 20 BBGD O=C(Cc1cnc2ccccc2c1)NCB(O)O 585061995 BAMYBQNMEIFWQJ-UHFFFAOYSA-N 244.059 -0.095 50 20 BBGD CC1CC(C#N)(C(=O)NNC(=O)CO)C1 753451292 CVORYVQEPJFBOA-UHFFFAOYSA-N 211.221 -0.934 50 20 BBGD CCC[C@@H](NC(N)=O)C(=O)NNC(=O)C(C)C 759485307 ZUVFVKUXMVESDJ-SSDOTTSWSA-N 244.295 -0.373 50 20 BBGD Cc1nc(C(=O)NNC(=O)C(C)(C)O)co1 768260167 UAQRTNMVFZEQFR-UHFFFAOYSA-N 227.220 -0.485 50 20 BBGD CC1CC(C#N)(C(=O)NN(C)C(N)=O)C1 778417635 BZCILUAUZYTQGN-UHFFFAOYSA-N 210.237 -0.032 50 20 BBGD Cn1cnc(C(=O)NN=c2cc[nH]cc2)c1 780760055 WRLRDPDTBNIZOE-UHFFFAOYSA-N 217.232 -0.006 50 20 BBGD CC(=O)c1cn(CC(=O)NN(C)C2CC2)nn1 819653675 VUWFGYSOPXNQDR-UHFFFAOYSA-N 237.263 -0.394 50 20 BBGD CC[C@H](C(=O)NN(CC)CCO)N(C)C 823865107 JBUCUUSAULGKMD-SECBINFHSA-N 217.313 -0.328 50 20 BBGD C[C@@H]1[C@H](C(=O)NN(C)[C@H](C)CO)CCN1C 823912695 JPAVIXBXNRREBG-OPRDCNLKSA-N 229.324 -0.330 50 20 BBGD Cc1c[nH]nc1C(=O)NN(C)C[C@H](C)O 910150524 SPBXWSUYIPCTGD-ZETCQYMHSA-N 212.253 -0.324 50 20 BBGD CC(=O)NNC(=O)COc1cc(C)on1 921188628 AYEARGMGFRSLFB-UHFFFAOYSA-N 213.193 -0.471 50 20 BBGD Cc1noc(CNC(=O)NNC(=O)C(C)C)n1 1319030898 ORJANCWUDQBDOL-UHFFFAOYSA-N 241.251 -0.136 50 20 BBGD CC(C)NC(=O)C(=O)NN=C1CCC(O)CC1 1320778474 YOZQTQFEFZUCQJ-UHFFFAOYSA-N 241.291 -0.082 50 20 BBGD CC(=O)NNC(=O)[C@H](C)[C@@H]1CCC(=O)N1 1329711221 VXTUYVLJPSHPRE-VDTYLAMSSA-N 213.237 -0.932 50 20 BBGD Cc1nc[nH]c1CC(=O)NN(C)C(N)=O 1339803547 NUAFOOCGOIYXSN-UHFFFAOYSA-N 211.225 -0.698 50 20 BBGD Cc1ccc2oc(=O)n(CC(=O)NN)c2c1 26465121 VKOWJDBFIWQQJU-UHFFFAOYSA-N 221.216 -0.107 50 20 BBGD O=C(CO)NNC(=O)c1ccc2[nH]cnc2c1 182750366 SZBOXVSONYRZKK-UHFFFAOYSA-N 234.215 -0.684 50 20 BBGD COCC[C@](C)(O)CNS(=O)(=O)CCl 230278264 XOHAZKKJIUKGPK-ZETCQYMHSA-N 245.728 -0.110 50 20 BBGD COC(=O)C[C@H](C)C(=O)NNC(=O)NC1CC1 268228538 UXYAYKXMLVEUBC-LURJTMIESA-N 243.263 -0.322 50 20 BBGD Cn1ncc(C(=O)NN)c1Br 306437197 GZNIVEJXWDHHLP-UHFFFAOYSA-N 219.042 -0.214 50 20 BBGD O=C(O)C1CC(=NNC(=O)[C@H]2CCOC2)C1 393251275 BZHITWALPCPKIW-PKPIPKONSA-N 226.232 -0.010 50 20 BBGD CN(CCC#N)C(=O)c1cccc(B(O)O)c1 584933706 JPTWRIURRYVVRI-UHFFFAOYSA-N 232.048 -0.648 50 20 BBGD CO[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)C1 584961776 XCJPBTIQQAIWCN-NSHDSACASA-N 249.075 -0.773 50 20 BBGD O=C(N[C@H]1C=CCC1)c1cccc(B(O)O)c1 585005405 AGVRLRIHYNZBNW-NSHDSACASA-N 231.060 -0.185 50 20 BBGD C[C@@H]1C[C@H]1CNCc1ccc(B(O)O)o1 585016070 QZBXNZUWQAKCFS-SFYZADRCSA-N 209.054 -0.295 50 20 BBGD C[C@@]1(CNCc2ccccc2B(O)O)CCOC1 585023250 ISJZHGWIIYDUFX-ZDUSSCGKSA-N 249.119 -0.117 50 20 BBGD CC(C)Nc1ncccc1C(=O)NCB(O)O 585061197 MTNAZPLZIPGWGG-UHFFFAOYSA-N 237.068 -0.356 50 20 BBGD CO[C@H](C)C(=O)NNC(=O)Cc1cccnc1 728849994 GBVBVSPIICQMII-MRVPVSSYSA-N 237.259 -0.194 50 20 BBGD CN(C)C(=O)NNC(=O)COC[C@@H]1CCCO1 733257104 ROHJVBFXBZWDSU-QMMMGPOBSA-N 245.279 -0.516 50 20 BBGD NC(=O)C1(C(=O)NNC(=O)C2CC2)CCC1 747889849 FSAHEWGYFVVYMC-UHFFFAOYSA-N 225.248 -0.801 50 20 BBGD O=C(NNC(=O)c1ccnnc1)c1cccnc1 769464764 YNRVZRFMIVQRBD-UHFFFAOYSA-N 243.226 -0.054 50 20 BBGD CC(C)(O)C(=O)NNC(=O)CC1OCCCO1 793924703 LHASCQRFMWUWJL-UHFFFAOYSA-N 246.263 -0.942 50 20 BBGD COC(=O)N[C@@H](C)C(=O)NN(C)[C@H](C)CO 823939343 JKQUYPDFJRUHOI-RQJHMYQMSA-N 233.268 -0.925 50 20 BBGD CCOC1CC(=NNC(=O)[C@@H]2CCC(=O)N2)C1 863149613 DDQXKWCWZFEULU-GKAPJAKFSA-N 239.275 -0.064 50 20 BBGD C[C@@H]1COC(=O)C1=NNC(=O)c1cn[nH]c1 863154141 OVMIKGMMOSZSED-RXMQYKEDSA-N 222.204 -0.312 50 20 BBGD CCN(CCO)NC(=O)[C@@]1(OC)CCSC1 911441127 WKLYNLMLNOEFDZ-SNVBAGLBSA-N 248.348 -0.146 50 20 BBGD NC(=O)C(=O)NN=Cc1cccc(F)c1 916272481 XUOZIHXIPGTUBQ-UHFFFAOYSA-N 209.180 -0.239 50 20 BBGD Cn1cc(C(=O)NNC(=O)NCC2CC2)nn1 1118494522 HGWSBGYHWQHQFD-UHFFFAOYSA-N 238.251 -0.831 50 20 BBGD CNC(=O)CCCC(=O)NN(C)C[C@@H](C)O 1119581257 AVRMLFGGRYDKFO-MRVPVSSYSA-N 231.296 -0.754 50 20 BBGD O=C(NNC(=O)C1(O)CCOCC1)C1CC1 1320367217 MMCQHBQKSSBXQV-UHFFFAOYSA-N 228.248 -0.915 50 20 BBGD O=C(NNC(=O)[C@H]1CCCS1(=O)=O)C1CC1 1349779926 XFVSOPWWLAQROH-SSDOTTSWSA-N 246.288 -0.879 50 20 BBGD O=C(CO)NNC(=O)[C@@H]1COc2ccccc21 180954954 DGVJIYYNUMUZGT-MRVPVSSYSA-N 236.227 -0.698 50 20 BBGD COc1ccc(C(=O)NNC(=O)C2CC2)nn1 265666345 ZXICKFLYVRUDMC-UHFFFAOYSA-N 236.231 -0.344 50 20 BBGD Cc1ccc(OCC(=O)NNC(=O)CO)cc1 273452198 HRISWQLFJPOTCP-UHFFFAOYSA-N 238.243 -0.486 50 20 BBGD Cn1c(S)nnc1CNC(=O)CCl 307720085 OBMCGJXUPYCGOB-UHFFFAOYSA-N 220.685 -0.041 50 20 BBGD CC#CCN(C)C(=O)c1ccc(B(O)O)c(F)c1 584995513 WEIQBDIVIWIJGZ-UHFFFAOYSA-N 249.050 -0.399 50 20 BBGD CCS(=O)(=O)CC(=O)NNC(=O)C1CCC1 732140911 ASLGDDOSJYCQJF-UHFFFAOYSA-N 248.304 -0.631 50 20 BBGD C=C[C@H](C)NC(=O)NNC(=O)c1cnn(C)c1 756973023 ACKBOKQDUKPZBG-ZETCQYMHSA-N 237.263 -0.061 50 20 BBGD CC(=NNC(=O)CN1CCCC1=O)c1cc[nH]n1 814760688 ANTDPDHLAMLWPJ-UHFFFAOYSA-N 249.274 -0.128 50 20 BBGD C[C@@H](NS(C)(=O)=O)C(=O)NN(C)C1CC1 819646814 GFGBJMYKFILJLO-ZCFIWIBFSA-N 235.309 -0.951 50 20 BBGD CCOC(=O)c1cc(C=NNC(=O)CO)[nH]n1 842530106 GSHKWAKJYNWYNO-UHFFFAOYSA-N 240.219 -0.971 50 20 BBGD COCCN(C)NC(=O)[C@@H]1CCC(=O)C1 843882506 PHDQLKGVZONOHC-MRVPVSSYSA-N 214.265 -0.035 50 20 BBGD CCO[C@H](C(=O)NNC(=O)CN(C)C)C1CC1 863865069 IIAGNHIJDWXJEH-JTQLQIEISA-N 243.307 -0.490 50 20 BBGD CN(C)C(=O)NNC(=O)[C@H]1[C@H]2C(=O)CC[C@H]21 906451588 VRTKHOJXXZPAHM-LPBLVHEISA-N 225.248 -0.486 50 20 BBGD C[C@@H](O)CN(C)NC(=O)CCN1CCOCC1 910166402 WKIDNFHRXLUMQX-SNVBAGLBSA-N 245.323 -0.948 50 20 BBGD C#Cc1cncc(C(=O)NN(C)C(N)=O)c1 1116909895 NQMSLJCLYIJTRW-UHFFFAOYSA-N 218.216 -0.282 50 20 BBGD CCCC(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 1248467969 GVLRVQAGPKGSGE-SSDOTTSWSA-N 248.304 -0.631 50 20 BBGD Cc1nn(C)cc1C(=O)NN(C)C(N)=O 1254046359 OOZFJOBYHOKQTN-UHFFFAOYSA-N 211.225 -0.616 50 20 BBGD CNC(=O)NNC(=O)Cn1cc(C2CC2)nn1 1319117201 IWWRPGNCFLWJEW-UHFFFAOYSA-N 238.251 -0.884 50 20 BBGD C[C@@H](O)C(=O)NNC(=O)c1cccn1C 1320619216 JJLRJFXKLSRMRW-ZCFIWIBFSA-N 211.221 -0.833 50 20 BBGD Cc1nc(C=NNC(=O)CCO)[nH]c1C 1327647336 DBOFMSWNIHDANG-UHFFFAOYSA-N 210.237 -0.141 50 20 BBGD O=C(c1cccnc1O)N1CC[C@H](B(O)O)C1 1351730013 SNXOIFZMVPVDAM-ZETCQYMHSA-N 236.036 -0.524 50 20 BBGD CC(C)(C)NC(=O)NNC(=O)C(=O)O 1589829447 CCPOEYKFJFSTAI-UHFFFAOYSA-N 203.198 -0.800 50 20 BBGD CC[C@H](NNC(=O)[C@H]1CCO[C@H]1C)C(=O)O 1609931847 MPAHBQAFNZKYBG-FXQIFTODSA-N 230.264 -0.105 50 20 BBGD O=C(CO)NN=Cc1sccc1C(=O)O 1776052850 YCPFAOJLDBYSEU-UHFFFAOYSA-N 228.229 -0.111 50 20 BBGD C[C@H](Cl)C(=O)NC[C@H]1CNC(=O)C1 307062106 MGYALPSJTDNHRK-NTSWFWBYSA-N 204.657 -0.134 50 20 BBGD COC(=O)NNC(=O)c1n[nH]c(C)c1[N+](=O)[O-] 495447465 GUEARBUJDUZPJZ-UHFFFAOYSA-N 243.179 -0.373 50 20 BBGD O=C(c1cccc(B(O)O)c1)N1C[C@@H]2CC[C@H]2C1 585008965 ZHPVZQNBUUDBHY-QWRGUYRKSA-N 245.087 -0.152 50 20 BBGD O=C(NCB(O)O)c1c[nH]nc1-c1ccccc1 585054927 UNKUPJPZKKQMJN-UHFFFAOYSA-N 245.047 -0.182 50 20 BBGD O=C(C[C@@H]1OCCc2ccccc21)NCB(O)O 585060739 XMSYYZRBECOFQI-NSHDSACASA-N 249.075 -0.181 50 20 BBGD COCCCNC(=O)NNC(=O)[C@H](O)C(C)C 795586026 BOEXJHBYFNXLIK-MRVPVSSYSA-N 247.295 -0.630 50 20 BBGD Cc1cc(C(=O)NN(C)[C@H](C)CO)on1 823982686 CMPUVLVNKRHFLP-SSDOTTSWSA-N 213.237 -0.060 50 20 BBGD C[C@@H]1OCC[C@@H]1C(=O)NN=Cc1cnn(C)n1 842560083 KSJYMMBUAAWCQB-CBAPKCEASA-N 237.263 -0.310 50 20 BBGD C=C[C@](C)(O)C(=O)NNC(=O)[C@H]1CCO[C@@H]1C 855007047 SPQNEKGXFPKRQV-FYBVGQRMSA-N 242.275 -0.504 50 20 BBGD CCC[C@@](C)(O)C(=O)NNC(=O)c1cc[nH]n1 855357426 JAJVTFSWINWYAU-SNVBAGLBSA-N 240.263 -0.278 50 20 BBGD CCC[C@@H](O)CC(=O)NNC(=O)c1cc[nH]n1 855357970 WWDYOAXBXLAWTL-SSDOTTSWSA-N 240.263 -0.278 50 20 BBGD CC1(C=NNC(=O)CS(C)(=O)=O)COC1 863186101 OLUIGHWPUCYSGP-UHFFFAOYSA-N 234.277 -0.831 50 20 BBGD CO[C@H](C)CC(=O)NN(C)C[C@H](C)O 910165079 GIJIVXGJDMPAKC-JGVFFNPUSA-N 204.270 -0.245 50 20 BBGD CC(=O)NNC(=O)Cn1nc(C)c2cccnc21 929182052 IYUGKOPEAIIIBX-UHFFFAOYSA-N 247.258 -0.093 50 20 BBGD C#C[C@@H](C)NC(=O)NNC(=O)c1cnn(C)c1 1116667514 HSILZRAJVBSFNZ-SSDOTTSWSA-N 235.247 -0.614 50 20 BBGD CCC(=NNC(=O)C(=O)OC)c1cn[nH]c1 1117045100 HTNKLBQNMUDVBS-UHFFFAOYSA-N 224.220 -0.187 50 20 BBGD COC(=O)c1occc1C=NNC(=O)C(N)=O 1317745619 SGZQVVRFWVJROI-UHFFFAOYSA-N 239.187 -0.998 50 20 BBGD CC(C)(C)C(=O)NNC(=O)CCc1nc[nH]n1 1323580723 VYXWDNVZOQIHTL-UHFFFAOYSA-N 239.279 -0.069 50 20 BBGD CC(=O)NNS(=O)(=O)c1ccc(C#N)o1 1342849944 KGDRNFSFMLUGAY-UHFFFAOYSA-N 229.217 -0.519 50 20 BBGD COCC(=O)NNc1ccc(C(=O)O)cn1 1610242259 WQEHNFMVWGIQRM-UHFFFAOYSA-N 225.204 -0.131 50 20 BBGD O=C(NCCN1C(=O)CCC1=O)[C@@H](F)Cl 2088605111 KUNUQMAPYZEUJA-SSDOTTSWSA-N 236.630 -0.214 50 20 BBGD Cc1csc(=O)n1CCC(=O)NN 70153840 XWCQHYZJUOBQEX-UHFFFAOYSA-N 201.251 -0.402 50 20 BBGD COCC(=O)NNC(=S)N[C@H](C)C1CC1 175537972 TZIXZBQKHWSNPY-ZCFIWIBFSA-N 231.321 -0.073 50 20 BBGD CC[C@H](OC)C(=O)NNC(=O)c1cc(C)n[nH]1 269034503 NDHQFNSHVVZCGC-QMMMGPOBSA-N 240.263 -0.096 50 20 BBGD CCOC(=O)NCCC(=O)NN(C)C(=O)OC 286537056 YOANSEZXLVAEHV-UHFFFAOYSA-N 247.251 -0.148 50 20 BBGD COC(=O)NCCC(=O)NN(C)C(=O)OC 495764280 PRHYUVPVQAYDSO-UHFFFAOYSA-N 233.224 -0.538 50 20 BBGD O=C(NCB(O)O)c1cn2ccccc2n1 585054950 VDTXSYPUMWWVPI-UHFFFAOYSA-N 219.009 -0.924 50 20 BBGD O=C(NCB(O)O)c1c(F)cc(F)cc1F 585059140 ABMFBRSKZIRWHD-UHFFFAOYSA-N 232.954 -0.154 50 20 BBGD COCCCNC(=O)NNC(=O)c1cc[nH]c1 731618024 QRPVIWLKVFJSED-UHFFFAOYSA-N 240.263 -0.005 50 20 BBGD CC(=O)N[C@@H](C)C(=O)NNC(=O)C1CCC1 732143887 JEODXCRVSCLDCL-LURJTMIESA-N 227.264 -0.542 50 20 BBGD O=C(NNC(=O)[C@H]1C[C@H]1C(=O)O)c1ccccn1 739455003 XMKWXSAQOQFSPH-NKWVEPMBSA-N 249.226 -0.437 50 20 BBGD CCCNC(=O)NN=C1CCN(C)C1=O 761800215 NAPPUWKCECBXOF-UHFFFAOYSA-N 212.253 -0.086 50 20 BBGD CC1CCN(C(=O)C(=O)NN(C)C(N)=O)CC1 768158659 ZRGMTSFKSCSKEE-UHFFFAOYSA-N 242.279 -0.713 50 20 BBGD CCOCCO[C@@H](C)C(=O)NN(CC)CCO 823852238 AHRRFIQYVHUQFE-JTQLQIEISA-N 248.323 -0.227 50 20 BBGD C#CCO[C@H](C)C(=O)NN(CC)CCO 823889348 STENDUUWNGOUBU-SECBINFHSA-N 214.265 -0.630 50 20 BBGD O=CN1CCC[C@@H]1C(=O)NN=c1cc[nH]cc1 831868195 RRXLZZCYOLZENI-SNVBAGLBSA-N 234.259 -0.433 50 20 BBGD CCNC(=O)N(C)NC(=O)[C@H](C)CN 831945586 SQIREIBKIPHWES-ZCFIWIBFSA-N 202.258 -0.726 50 20 BBGD CC(C)[C@@H](O)C(=O)NNC(=O)[C@H]1CCO[C@@H]1C 843969990 AODGYNHIZFTIQK-HRDYMLBCSA-N 244.291 -0.424 50 20 BBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)CC(C)(C)O 843971985 SOGVQCPSSZHZIS-HTQZYQBOSA-N 244.291 -0.280 50 20 BBGD O=C1CC[C@@H](C(=O)NN=Cc2ccc(O)nc2)N1 863151955 YSJHWFFCXRAIRH-QMMMGPOBSA-N 248.242 -0.484 50 20 BBGD O=C(O)[C@H]1C[C@H](NCc2ccccc2B(O)O)C1 901711013 PPDLYXHMXSDRBG-MGCOHNPYSA-N 249.075 -0.681 50 20 BBGD CNC(=O)NNC(=O)[C@@H]1[C@H]2CCC(=O)[C@@H]21 906393830 MKFXQVWGOYRDHF-UBKIQSJTSA-N 211.221 -0.828 50 20 BBGD C[C@H]1C(=O)NCCCN1S(=O)(=O)CCl 908480132 QXPOEORPYGRWAZ-LURJTMIESA-N 240.712 -0.277 50 20 BBGD C[C@H](O)CN(C)NC(=O)[C@H](C)c1cnccn1 910184557 SZODBGKPQIYINS-DTWKUNHWSA-N 238.291 -0.076 50 20 BBGD CCOC(=O)NNC(=O)[C@H](C)NC(=O)CC 915263021 LESVUZGJJXMIQQ-LURJTMIESA-N 231.252 -0.322 50 20 BBGD O=C(NNC(=O)[C@]1(F)CCOC1)c1cn[nH]c1 1261830261 POLMIKVXJFHYBZ-VIFPVBQESA-N 242.210 -0.701 50 20 BBGD CC(=O)NNC(=O)[C@@H]1CCCCS1(=O)=O 1320367208 LWEBTDHKWZMYDA-ZETCQYMHSA-N 234.277 -0.879 50 20 BBGD C[C@@H](CO)N(C)NC(=O)[C@@H]1CCN(C)C(=O)C1 1329862825 RYJSHKAXVFPVAS-DTWKUNHWSA-N 243.307 -0.801 50 20 BBGD CCNC(=O)NNC(=O)C1(C#N)CCOCC1 1338766978 YZYZTVUKNTYIMF-UHFFFAOYSA-N 240.263 -0.343 50 20 BBGD O=C(Cc1cnc[nH]1)NNC(=O)C1CC1 1339053196 DFDIKYMETYFZCP-UHFFFAOYSA-N 208.221 -0.490 50 20 BBGD CCO/C=C(/C#N)C(=O)NCCOCC(=O)O 1596864263 RPHOYVBEOSIHLL-VURMDHGXSA-N 242.231 -0.352 50 20 BBGD CN(C)c1cccc(C(=O)NNC(=O)CO)c1 136135393 YSYQNTQRGDVCBM-UHFFFAOYSA-N 237.259 -0.494 50 20 BBGD CCN1C(=O)[C@@H]2CN(C(=O)CCl)C[C@H]2C1=O 409424065 BBXSSGRYLJUNFL-RNFRBKRXSA-N 244.678 -0.312 50 20 BBGD CC[C@H](C#N)C(=O)Nc1cccc(B(O)O)c1 584911201 HEGXEUMBCZTGMA-MRVPVSSYSA-N 232.048 -0.145 50 20 BBGD CC(C)CC(=O)NNC(=O)[C@@H]1CN(C)CCO1 746112267 WARRUGALDVUOOG-VIFPVBQESA-N 243.307 -0.490 50 20 BBGD Cn1cc(C=NNC(=O)c2ccccn2)nn1 755461523 DJFNAPDVQVVTJS-UHFFFAOYSA-N 230.231 -0.026 50 20 BBGD CC(C)(O)C(=O)NNC(=O)C1CCC1 787948355 CMFSUJLZXSLFNU-UHFFFAOYSA-N 200.238 -0.295 50 20 BBGD Cc1n[nH]cc1C(=O)NN=C1C(=O)OC[C@H]1C 794908092 IETKWMMEACISIG-RXMQYKEDSA-N 236.231 -0.003 50 20 BBGD CNC(=O)NNC(=O)[C@@H](NC(N)=O)C(C)(C)C 800328422 NEKVLEIZPOIBHI-RXMQYKEDSA-N 245.283 -0.970 50 20 BBGD CC(=O)NNC(=O)c1cnn(CCF)c1 806307265 AXNVDIFOERFYIR-UHFFFAOYSA-N 214.200 -0.367 50 20 BBGD CNC(=S)N(C)NC(=O)[C@H]1C[C@@H](O)C1 823559551 XXFXDOBKZFWCOL-OLQVQODUSA-N 217.294 -0.775 50 20 BBGD CCN(CCO)NC(=O)Cc1c(C)n[nH]c1C 823838732 VBWZVDMPUPOZCX-UHFFFAOYSA-N 240.307 -0.086 50 20 BBGD CCOCC(=O)NNC(=O)N[C@@H]1CO[C@H](C)C1 828427298 LSJFXLDZEAHXPT-SFYZADRCSA-N 245.279 -0.469 50 20 BBGD CNC(=S)N(C)NC(=O)/C=C/COC 854919890 HQWAPJWXBJKGDP-SNAWJCMRSA-N 217.294 -0.344 50 20 BBGD CCn1cnc(C(=O)NN(C)C(=S)NC)c1 854929459 IQQDMFQOZSQARA-UHFFFAOYSA-N 241.320 -0.016 50 20 BBGD C#CCCCC(=O)NNC(=O)[C@@H](O)C=C 887149241 OROOKFVVSPXNNK-QMMMGPOBSA-N 210.233 -0.516 50 20 BBGD CC[C@@H](O)[C@H](C)C(=O)NNC(=O)C1CC1 899938175 WBAUGASSGFQPSV-POYBYMJQSA-N 214.265 -0.049 50 20 BBGD C=CC(=O)N(CC)CC(=O)NNc1cccnn1 907327922 CKWCEGMDIZPESR-UHFFFAOYSA-N 249.274 -0.046 50 20 BBGD C[C@H](O)CN(C)NC(=O)c1cc(C#N)c[nH]1 910162696 JEKFYCODDLASHW-ZETCQYMHSA-N 222.248 -0.156 50 20 BBGD NNC(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1 917610783 UZYWDKWWRLJPHO-MRVPVSSYSA-N 234.259 -0.580 50 20 BBGD COCCOCC(=O)NNC(=O)[C@H]1C[C@@H]1F 1123842886 AJTVPIPMPNDXQC-BQBZGAKWSA-N 234.227 -0.845 50 20 BBGD C[C@H](O)CN1CCN(C(=O)CCl)CC1 1327500444 XXFUXQXGQXKNBZ-QMMMGPOBSA-N 220.700 -0.250 50 20 BBGD COC(=O)C(=O)NNC(=O)NCCC1CCC1 1330947449 UUXLUJOCTIMLDM-UHFFFAOYSA-N 243.263 -0.320 50 20 BBGD C[C@@H](C(=O)N1CC[C@@H](B(O)O)C1)N(C)C 1339117698 JSMKMFSVIGGSIX-JGVFFNPUSA-N 214.074 -0.988 50 20 BBGD C[C@@H](C(=O)NNc1ccn(C)n1)S(C)(=O)=O 1339452946 IUQBHLHWTPLTCP-LURJTMIESA-N 246.292 -0.704 50 20 BBGD COC(=O)N(C)NC(=O)N[C@]1(C)CCOC1=O 1346944898 JMGRGCNGZQJLOY-SECBINFHSA-N 245.235 -0.396 50 20 BBGD N#CC1=CCN(CCC(=O)NCC(=O)O)CC1 1608179667 YTKUJCSGBVRVFK-UHFFFAOYSA-N 237.259 -0.267 50 20 BBGD CC(C)CNC(=O)NNC(=O)C(=O)NC1CC1 42947794 PFMJAHWRBHGCTF-UHFFFAOYSA-N 242.279 -0.749 50 20 BBGD O=C(NNC(=O)c1n[nH]c(O)n1)c1ccccc1 48722998 IUZUMGBVLCVRHU-UHFFFAOYSA-N 247.214 -0.415 50 20 BBGD CC[C@@](C)(OC)C(=O)NN(C)C(N)=O 280397314 IBOWNXNMKFYXJR-MRVPVSSYSA-N 203.242 -0.157 50 20 BBGD CO[C@H](C)C(=O)Nc1cccc(B(O)O)c1 404983879 SDBHGQNGHZAREM-SSDOTTSWSA-N 223.037 -0.660 50 20 BBGD CC[C@@](C)(CO)CNCc1ccc(B(O)O)o1 585029078 CKJCFVUBDWULEQ-LLVKDONJSA-N 241.096 -0.542 50 20 BBGD OC[C@@H](CC1CC1)NCc1ccccc1B(O)O 585030752 ZBYJFRCWMWJCHH-GFCCVEGCSA-N 249.119 -0.383 50 20 BBGD COc1cccc(F)c1C(=O)NCB(O)O 585059156 AWGBTOPSOJROOF-UHFFFAOYSA-N 227.000 -0.424 50 20 BBGD C=C[C@@](C)(O)C(=O)NNc1nccc(OC)n1 821480585 GGEMGWJZYXSUKX-SNVBAGLBSA-N 238.247 -0.135 50 20 BBGD CCN(CCO)NC(=O)c1ccn(CC)n1 823893794 WYDDZVODOBSHTK-UHFFFAOYSA-N 226.280 -0.138 50 20 BBGD C=C[C@](C)(O)C(=O)NN(C)[C@H](C)CO 823917003 CJYCCXBPIHDONQ-APPZFPTMSA-N 202.254 -0.733 50 20 BBGD CC[C@H](CO)C(=O)NN(C)[C@@H](C)CO 823935060 MTWCDIUMMHKNEK-JGVFFNPUSA-N 204.270 -0.651 50 20 BBGD O=C(O)[C@H]1COCCN1S(=O)(=O)CCl 849230326 TVAILNFADVQTHY-RXMQYKEDSA-N 243.668 -0.702 50 20 BBGD C[C@H]1COC[C@@H]1NCc1cccc(B(O)O)c1 896733440 PMMRYGQEPLIEOZ-CABZTGNLSA-N 235.092 -0.509 50 20 BBGD CN1CCO[C@@H](C(=O)NNc2ccccc2)C1=O 901162791 OPRMJUZHTGWHFJ-JTQLQIEISA-N 249.270 -0.013 50 20 BBGD O=S(=O)(CBr)N1CC[C@@H]1CO 907832493 YZDAYYXGPZZVBM-RXMQYKEDSA-N 244.110 -0.265 50 20 BBGD CN(CCCF)C(=O)c1cccc(B(O)O)c1 925559321 TWVXPNJGFULDBJ-UHFFFAOYSA-N 239.055 -0.202 50 20 BBGD CC(=O)NNC(=O)[C@@H]1CCCN(C(C)=O)C1 1317703289 HQKNEIABRREODI-SECBINFHSA-N 227.264 -0.588 50 20 BBGD CCCn1cc(C(=O)NNC(=O)OC)nn1 1320262100 UADVCCPPEBBFSQ-UHFFFAOYSA-N 227.224 -0.311 50 20 BBGD COC[C@@](C)(NC(=O)CCl)C(=O)OC 1341523533 COQACWBMCJNDJP-MRVPVSSYSA-N 223.656 -0.081 50 20 BBGD CC[C@H](C)C(=O)NNS(=O)(=O)N(C)C 172886102 XDYHDGSSDSEBAO-LURJTMIESA-N 223.298 -0.540 50 20 BBGD CC(C)(C)C(=O)C(=O)NNC(=O)C(C)(C)O 277952984 LRPVQBYPGLKCNU-UHFFFAOYSA-N 230.264 -0.480 50 20 BBGD CO/N=C/C(=O)NNC(=O)[C@@H]1CC[C@H](C)O1 293999352 VABCHRUXCQYNHA-QJSAQOTISA-N 229.236 -0.667 50 20 BBGD CC(C)(O)C(=O)NNC(=O)NCC1CC1 756811579 FHQLAZUAGOBPLF-UHFFFAOYSA-N 215.253 -0.502 50 20 BBGD CNC(=O)NNC(=O)C1(C#N)CC(C)C1 758182053 FXXJMGRJBSWBFE-UHFFFAOYSA-N 210.237 -0.114 50 20 BBGD Cn1cnn(CC(=O)NNc2ccccc2)c1=O 778935396 DNECZEWRGLBYPW-UHFFFAOYSA-N 247.258 -0.275 50 20 BBGD CNC(=O)NNC(=O)CCC(C)(C)O 787164774 OIYUMJIPKSZHDW-UHFFFAOYSA-N 203.242 -0.502 50 20 BBGD CCCC[C@H](C)C(=O)NNC(=O)CO 800695688 XXBWCLJNOBWVNI-ZETCQYMHSA-N 202.254 -0.048 50 20 BBGD CCn1nc(C)c(C(=O)NN(C)C(=O)OC)n1 816638316 IKAMTJORLOZLBO-UHFFFAOYSA-N 241.251 -0.051 50 20 BBGD C[C@H](C(=O)NNC(=O)[C@@H]1CCCCO1)N(C)C 823236800 FTBOMJMJHJKLRH-BDAKNGLRSA-N 243.307 -0.347 50 20 BBGD CCC[C@H](O)C(=O)NN(CC)CCO 823377751 XGJGKWCSNKOMCQ-QMMMGPOBSA-N 204.270 -0.507 50 20 BBGD C=C[C@](C)(O)C(=O)NNC(=O)C1CCC1 827215868 FYSHFAVIIGQOTC-JTQLQIEISA-N 212.249 -0.129 50 20 BBGD C[C@H](C(=O)NNC(=O)c1cccn1C)N(C)C 873835562 MPEHPSIXEUFBPX-MRVPVSSYSA-N 238.291 -0.264 50 20 BBGD COc1ncccc1C(=O)NNC(C)=O 906480484 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-0.159 50 20 BBGD CC[C@@H](CO)NS(=O)(=O)CCl 82513023 LYAUJEWDDLJUNF-YFKPBYRVSA-N 201.675 -0.127 50 20 BBGD CC(=O)NNC(=O)Nc1cnc(C)nc1 274189007 LWGRPDDMARSVNF-UHFFFAOYSA-N 209.209 -0.042 50 20 BBGD COC(=O)NNC(=O)NCC(=O)OC(C)(C)C 407985787 LRGLZQOOGIXALW-UHFFFAOYSA-N 247.251 -0.102 50 20 BBGD C[C@@H]1C[C@H]1CNC(=O)c1ccc(B(O)O)cc1 584930217 UJJTUDIBNUASBQ-SCZZXKLOSA-N 233.076 -0.248 50 20 BBGD C[C@H](CCCO)CNCc1ccc(B(O)O)o1 585042667 BFWNRWQPKDGFMU-SECBINFHSA-N 241.096 -0.542 50 20 BBGD COCCCNC(=S)N(C)NC(=O)COC 726075735 FFPFXVFPPQSFAV-UHFFFAOYSA-N 249.336 -0.493 50 20 BBGD Cn1cc(C(=O)NN=Cc2ncc[nH]2)cn1 735412038 HZANFZGFTFXSMU-UHFFFAOYSA-N 218.220 -0.093 50 20 BBGD CN(C)CC(=O)NNC(=O)[C@@H]1CC12CCC2 760123463 XRXMBXYMEUUEIK-QMMMGPOBSA-N 225.292 -0.114 50 20 BBGD O=C(NNC(=O)C1(O)CCC1)NC1CC1 772417011 RCTDVUUPLOUJJD-UHFFFAOYSA-N 213.237 -0.606 50 20 BBGD CCNC(=O)NNC(=O)CC1OCCCO1 793206766 JJDFTMAOCBGUIB-UHFFFAOYSA-N 231.252 -0.510 50 20 BBGD CC(C)NC(=O)NNC(=O)CC1OCCCO1 793259004 RIGLQOXYIRUJHT-UHFFFAOYSA-N 245.279 -0.122 50 20 BBGD CC(=O)N[C@@H](C(=O)NNc1nc[nH]n1)C(C)C 816631784 FDLUYZHVAQUALZ-SSDOTTSWSA-N 240.267 -0.592 50 20 BBGD COCCOCC(=O)NNC(=O)[C@H](C)C1CC1 869909821 KFNBTNFWIVDBND-MRVPVSSYSA-N 244.291 -0.157 50 20 BBGD Cc1nc(C)c(C(=O)NN(C)C[C@@H](C)O)[nH]1 910144280 HIEKFFCTACACJG-ZCFIWIBFSA-N 226.280 -0.016 50 20 BBGD CC(=O)NN[C@@H](C(N)=O)c1ccc(C#N)cc1 1116078398 HFMQFELQBAVFEC-SNVBAGLBSA-N 232.243 -0.275 50 20 BBGD COC(=O)C(=O)NN=C(C)C[C@H]1CCC(=O)N1 1117646744 OWOGYJPTWHNEFD-SSDOTTSWSA-N 241.247 -0.680 50 20 BBGD N#Cc1cc(N2CC[C@H](B(O)O)C2)ncn1 1120089485 BNVXQJKRBDUNSS-ZETCQYMHSA-N 218.025 -0.599 50 20 BBGD COC(=O)NNC(=O)c1cncnc1C 1320384684 KIENHNSZMGAHHS-UHFFFAOYSA-N 210.193 -0.214 50 20 BBGD CC(C)C(=O)NNC(=O)C1(C(N)=O)CC1 1327260135 HUSFLAVJBZMQBX-UHFFFAOYSA-N 213.237 -0.945 50 20 BBGD CC[C@H](F)C(=O)NNC(=O)[C@H]1CCC(=O)N1 1336569726 RJBXLDKZAUQKLQ-NTSWFWBYSA-N 231.227 -0.840 50 20 BBGD CC(=NNC(=O)C(N)=O)c1cncs1 1339144036 SXZCBNRGBWUTRF-UHFFFAOYSA-N 212.234 -0.531 50 20 BBGD CC(C)CC(=O)NNC(=O)C(=O)N1CCCC1 132302811 QWVCPHVWMTVKQS-UHFFFAOYSA-N 241.291 -0.198 50 20 BBGD CC(=O)c1csc(C(=O)NNC(=O)CO)c1 182757787 WYOVIMDXBMOKER-UHFFFAOYSA-N 242.256 -0.296 50 20 BBGD Cc1cc(B(O)O)cc(Br)n1 206058922 CICVUFPZQTWKQX-UHFFFAOYSA-N 215.843 -0.168 50 20 BBGD CCn1cc(C(=O)NNC(=O)OC)cn1 495326466 LKBUIFOUPVAHCS-UHFFFAOYSA-N 212.209 -0.096 50 20 BBGD COC[C@@H](C)NCc1ccc(B(O)O)o1 585032564 WLFTVEUFNGPCNL-SSDOTTSWSA-N 213.042 -0.916 50 20 BBGD C[C@@H]1C[C@@H](NCc2ccc(B(O)O)cc2)CO1 585048205 KZOZINVOIFUPSP-BXKDBHETSA-N 235.092 -0.367 50 20 BBGD O=C(NCB(O)O)c1cc2c(s1)CCC2 585055896 GQZYLLRWSZFAJM-UHFFFAOYSA-N 225.078 -0.021 50 20 BBGD O=C(NCB(O)O)c1ccc(C(F)(F)F)nc1 585061519 UOBHESLJTFTCDG-UHFFFAOYSA-N 247.969 -0.158 50 20 BBGD CCOCC1(C(=O)N2CC[C@@H](B(O)O)C2)CC1 585063850 ISCPIXLYLKNHHR-SECBINFHSA-N 241.096 -0.122 50 20 BBGD Cc1nc[nH]c1C=NNC(=O)CN(C)C 755689711 SBJJYMJEUXVRHN-UHFFFAOYSA-N 209.253 -0.270 50 20 BBGD Cc1cc(CC(=O)NN=C2CCN(C)C2=O)n[nH]1 761782366 SLBKOZMZJWFGGZ-UHFFFAOYSA-N 249.274 -0.405 50 20 BBGD CN(C)CC(=O)NNC(=O)Nc1ccn(C)n1 763266111 NWQNUNNRPGLCMO-UHFFFAOYSA-N 240.267 -0.866 50 20 BBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)COC 771888818 GOVYFRXMXMSLRU-ZCFIWIBFSA-N 232.236 -0.878 50 20 BBGD Cn1cc(CC(=O)NN=c2cc[nH]cc2)cn1 780760859 HGNRYZPJELPEQK-UHFFFAOYSA-N 231.259 -0.077 50 20 BBGD CCOCC(=O)NNC(=O)NCC(C)(C)C#N 781955486 PRCBPTBKEUMAPX-UHFFFAOYSA-N 242.279 -0.097 50 20 BBGD CC(C)[C@@H](F)C(=O)NNC(=O)CN(C)C 784773677 OUVIITUJUYNPJB-MRVPVSSYSA-N 219.260 -0.311 50 20 BBGD CCCNC(=O)NNC(=O)CC1OCCCO1 793219773 OZFCOWVFFZKUTG-UHFFFAOYSA-N 245.279 -0.120 50 20 BBGD C[C@@H](O)C(=O)NNC(=O)N=c1cc[nH]cc1 802033301 SCCOFIFRZNMZFE-ZCFIWIBFSA-N 224.220 -0.963 50 20 BBGD CNC(=O)NNC(=O)[C@](C)(O)C1CC1 804290675 UCSVYNCZRQPBFQ-MRVPVSSYSA-N 201.226 -0.892 50 20 BBGD CNC(=O)NN=C1CCN(CCO)CC1 819807320 ONXMTKLXYNISFF-UHFFFAOYSA-N 214.269 -0.641 50 20 BBGD C[C@@H](CO)N(C)NC(=O)c1cccn1C 823976326 BWYXEJJKYHYVEU-QMMMGPOBSA-N 211.265 -0.018 50 20 BBGD C[C@@H](NNC(=O)[C@]1(O)CCOC1)C(F)(F)F 862323031 OTQVVTGERZROSD-VDTYLAMSSA-N 242.197 -0.291 50 20 BBGD CC(=NNC(=O)[C@@H]1CCC(=O)N1)[C@@H]1CCOC1 863148673 HWFRWALMMQZWSN-BDAKNGLRSA-N 239.275 -0.206 50 20 BBGD CCC(C)=NNC(=O)CS(C)(=O)=O 863190515 ZEDIVSQWPLKFBN-UHFFFAOYSA-N 206.267 -0.067 50 20 BBGD Cc1nc[nH]c1C(=O)NN(C)C[C@@H](C)O 910140755 MBKCQPXGVDQEDP-ZCFIWIBFSA-N 212.253 -0.324 50 20 BBGD O=C(NN=CC[C@H]1CCOC1)C(=O)NC1CC1 1116424639 KTYDBDZDBYMESA-QMMMGPOBSA-N 239.275 -0.206 50 20 BBGD O=C(CO)NNC(=O)c1cnc(C2CC2)[nH]1 1324244241 JAIGGKBMDLXKSV-UHFFFAOYSA-N 224.220 -0.960 50 20 BBGD CC(=O)NNC(=O)[C@@H]1CCC[C@@H](C(N)=O)C1 1326145902 NXPARMCPUHXUCX-HTQZYQBOSA-N 227.264 -0.555 50 20 BBGD CCCNC(=O)NNC(=O)Cc1nnc(C)o1 1327656493 DXNXULJRRCXOAU-UHFFFAOYSA-N 241.251 -0.339 50 20 BBGD N#CCC(=O)NNC(=O)Cc1cc[nH]n1 1342878717 VLPKFXZUTIUZLC-UHFFFAOYSA-N 207.193 -0.987 50 20 BBGD CN[C@H](C(=O)NNC(=O)NC(C)C)C(C)C 1574078866 GOVTWKHSJFASOT-QMMMGPOBSA-N 230.312 -0.031 50 20 BBGD CC1(C)CC(=NNC(=O)C(=O)O)CO1 1593842543 OURQQRCSFHVWLX-UHFFFAOYSA-N 200.194 -0.258 50 20 BBGD CC(C)(C)n1cc(C=NNC(=O)C(=O)O)nn1 1603568031 VKKTVQNXGAYGKP-UHFFFAOYSA-N 239.235 -0.432 50 20 BBGD O=C(CO)NN=Cc1cc(C(=O)O)co1 1608342870 KCUUYRXGOAAVIZ-UHFFFAOYSA-N 212.161 -0.580 50 20 BBGD O=C(CCO)NN=Cc1cc(C(=O)O)co1 1610657594 ZMPPPWCLZARGDX-UHFFFAOYSA-N 226.188 -0.190 50 20 BBGD COC(=O)N(C)NC(=O)C1CN(C(C)=O)C1 495824892 JXYSCNYKZBQONR-UHFFFAOYSA-N 229.236 -0.806 50 20 BBGD COC[C@@H](C)NCc1ccc(B(O)O)cc1 585032461 VFTLNTLESUVJBJ-SECBINFHSA-N 223.081 -0.509 50 20 BBGD Cn1ccc(CNCc2cccc(B(O)O)c2)n1 585034103 ILLDFQGWODIUBN-UHFFFAOYSA-N 245.091 -0.610 50 20 BBGD C[C@@]1(C(=O)NCB(O)O)C[C@H]2CC[C@H]1C2 585062292 FRKCYDPYLPRPMK-OYNCUSHFSA-N 211.070 -0.059 50 20 BBGD NC(=O)NN=Cc1cnc2cnccn12 746368670 XHLQFRSDFWHDSF-UHFFFAOYSA-N 204.193 -0.269 50 20 BBGD CC(C)(O)C(=O)NNC(=O)[C@]1(C)CCCOC1 768243351 CWCACOWETCDRMI-LLVKDONJSA-N 244.291 -0.279 50 20 BBGD CCNC(=O)NNC(=O)[C@H]1CCO[C@H]1C 770712227 XXXHXFSRRUEBMM-BQBZGAKWSA-N 215.253 -0.238 50 20 BBGD C[C@H](C(=O)NNc1ccccn1)S(C)(=O)=O 777475223 SINMPLVAVKHXNQ-SSDOTTSWSA-N 243.288 -0.042 50 20 BBGD CC[C@H](C(=O)NNC(=O)C1CC1)[C@@H](C)O 789941329 JMQNHDDEVKKATO-SVRRBLITSA-N 214.265 -0.049 50 20 BBGD CCN(CC)CC(=O)NNc1cnnn1C 816771824 BQWVCCIBHFCEDA-UHFFFAOYSA-N 226.284 -0.400 50 20 BBGD CNC(=O)NCCC(=O)NNC(=O)CC1CC1 819144464 JIQBJLSBSQAMDO-UHFFFAOYSA-N 242.279 -0.747 50 20 BBGD C[C@H](O)CN(C)NC(=O)[C@H]1CCOC1 822557210 KELRYPOYBFUBCE-YUMQZZPRSA-N 202.254 -0.633 50 20 BBGD COc1cc(C(=O)NN(C)[C@H](C)CO)ncn1 823384962 YMTAULGYQNPYHU-SSDOTTSWSA-N 240.263 -0.557 50 20 BBGD C=C(CN(C)C)C(=O)NN(C)C[C@H](C)O 823674820 BPIWDMUKIMXPPX-VIFPVBQESA-N 215.297 -0.552 50 20 BBGD O=C1NCC[C@@H]1C(=O)NNc1ccnc(F)c1 831919374 XRYXZASABJRWOW-ZETCQYMHSA-N 238.222 -0.200 50 20 BBGD COCCN(C)NC(=O)[C@H]1CC(C)=NO1 854412133 DAFJUDZSWMOJLQ-MRVPVSSYSA-N 215.253 -0.239 50 20 BBGD CCn1c(=O)c(=O)[nH]c2cc(C(=O)NN)ccc21 916665747 KVWLAIBUMVTSLZ-UHFFFAOYSA-N 248.242 -0.687 50 20 BBGD CCNC(=O)NNC(=O)[C@@H](C)OCC 920858512 ZCZXYNJFNNYQFR-ZCFIWIBFSA-N 203.242 -0.238 50 20 BBGD COC(=O)NNC(=O)C[C@H]1CCOC1 1255763537 AEPHEQCRQUFUPT-ZCFIWIBFSA-N 202.210 -0.200 50 20 BBGD CNC(=O)NNC(=O)c1cnc2c(cnn2C)c1 1318895164 AQGUFMLEWFABIT-UHFFFAOYSA-N 248.246 -0.458 50 20 BBGD CC(=O)NNC(=O)[C@H]1CCc2cnn(C)c2C1 1321319162 RAAFSYDVPLDZQT-QMMMGPOBSA-N 236.275 -0.308 50 20 BBGD C[C@@H](C(=O)NNc1ncccn1)[C@H]1CCC(=O)N1 1331298894 XWAFRLOUPGUPSY-HTQZYQBOSA-N 249.274 -0.166 50 20 BBGD C[C@H](NC(N)=O)C(=O)NN[C@H](C)C(F)(F)F 1331790947 NSTHBBSOCMSQLK-IUYQGCFVSA-N 242.201 -0.385 50 20 BBGD CC(=O)NNC(=O)Cc1c(C)n[nH]c1C 1343407107 ZEJGQIUXVKHVQS-UHFFFAOYSA-N 210.237 -0.264 50 20 BBGD CCNC(=O)NNC(=O)[C@@H]1C[C@@H](N)C1(C)C 1577792697 CYSNIFQAABFQCG-NKWVEPMBSA-N 228.296 -0.290 50 20 BBGD COCC#CC(=O)NNc1ccc(C(=O)O)cn1 1599138409 KTONYUOIPSYBRY-UHFFFAOYSA-N 249.226 -0.127 50 20 BBGD CNC(=O)[C@@H](C)NS(=O)(=O)CCCCl 42576499 YUMBIZSNNLQVOS-ZCFIWIBFSA-N 242.728 -0.331 50 20 BBGD NC(=O)C1CCN(S(=O)(=O)CCl)CC1 82511948 DLPCPNVFWSMQGH-UHFFFAOYSA-N 240.712 -0.290 50 20 BBGD COCCC(=O)NNC(=O)c1c[nH]nc1C 110760112 FWYZJVSYPVOHOI-UHFFFAOYSA-N 226.236 -0.484 50 20 BBGD COC(=O)NNC(=O)[C@H]1CC(=O)N(C2CC2)C1 495367359 PEOZJJBEIOXZDJ-LURJTMIESA-N 241.247 -0.616 50 20 BBGD CCOC(=O)[C@@H](CC)C(=O)NNC(=O)OC 496036348 ODXSJLWXQYUTAS-LURJTMIESA-N 232.236 -0.037 50 20 BBGD O=C(NCB(O)O)c1ccnn1C1CCCC1 585063098 SLUBPTGLOMHTES-UHFFFAOYSA-N 237.068 -0.260 50 20 BBGD Nc1nc(Cl)cc(N2CC[C@H](B(O)O)C2)n1 585073872 PHAZSXLAHOHYBN-YFKPBYRVSA-N 242.475 -0.235 50 20 BBGD Cc1cc(C#N)nc(N2CC[C@@H](B(O)O)C2)n1 585078568 GYTCSMCZXCXVDB-MRVPVSSYSA-N 232.052 -0.290 50 20 BBGD O=C(O)NCCCC(=O)NNC(=O)C1CCC1 739956894 OGLNMVMWWZLBAO-UHFFFAOYSA-N 243.263 -0.018 50 20 BBGD Cc1cnn(CC(=O)NNC(=O)N(C)C)c1 746014277 BTMQRHXDKGJOAK-UHFFFAOYSA-N 225.252 -0.506 50 20 BBGD O=C(NNC(=S)NC[C@@H]1CCOC1)C1CC1 749650136 ZQPWDGFZIDVJKF-ZETCQYMHSA-N 243.332 -0.072 50 20 BBGD CC(CN1C(=O)CCC1=O)=NNC(N)=O 754902368 YMANNHZUSRSQFG-UHFFFAOYSA-N 212.209 -0.820 50 20 BBGD CC(=O)NNC(=O)C(=O)Nc1ccc(F)cc1 763515343 MSRBFDXVOLDDTO-UHFFFAOYSA-N 239.206 -0.069 50 20 BBGD CCN1CCOC[C@@H]1C(=O)NN(C)C1CC1 819650117 FTZONLBDTRISTN-SNVBAGLBSA-N 227.308 -0.168 50 20 BBGD CNC(=S)N(C)NC(=O)C(OC)OC 823551716 AMZHNMXRLYUPGL-UHFFFAOYSA-N 221.282 -0.927 50 20 BBGD CCN(CCO)NC(=O)[C@@H](OC)C1CC1 823879238 JFGHZGNAWNJEFU-VIFPVBQESA-N 216.281 -0.243 50 20 BBGD C#CCN1CCC[C@H]1C(=O)NN(C)CCOC 837623616 QDHZRPGBUUTMFO-NSHDSACASA-N 239.319 -0.307 50 20 BBGD Cc1cc(=NNC(=O)C2(C(N)=O)CCC2)cc[nH]1 862511538 SUTSAZYZLSIMIR-UHFFFAOYSA-N 248.286 -0.089 50 20 BBGD COCC(C)=NNC(=O)[C@H]1CCC(=O)N1 863145624 PEVFHCSTLGMCBK-SSDOTTSWSA-N 213.237 -0.597 50 20 BBGD O=C(NOC1CCCC1)c1cccc(B(O)O)c1 863878515 OMSSMMVICKUATN-UHFFFAOYSA-N 249.075 -0.030 50 20 BBGD CCCCC(=O)NNC(=O)COCCOC 869911585 AAYQMNNEDSBNAX-UHFFFAOYSA-N 232.280 -0.013 50 20 BBGD O=C(NNC(=O)C1CSC1)c1cccnn1 899219268 RJNSHNQEOOBRJK-UHFFFAOYSA-N 238.272 -0.399 50 20 BBGD CC(C)NC(=S)NNC(=O)c1cn[nH]c1 920405610 ADHASGOLTYQTLY-UHFFFAOYSA-N 227.293 -0.073 50 20 BBGD C[C@H](O)CN(C)NC(=O)c1cc(O)n(C)n1 1262178108 QKBYPYBVEGSSAS-LURJTMIESA-N 228.252 -0.917 50 20 BBGD CC(=O)NNC(=O)c1ccn(C)c(=O)c1 1323972010 LKBHQXLKNKFKPK-UHFFFAOYSA-N 209.205 -0.834 50 20 BBGD CCCNC(=O)NNC(=O)[C@]1(F)CCOC1 1327656886 HNZKPVPTNSMZIM-VIFPVBQESA-N 233.243 -0.145 50 20 BBGD CNC(=O)COc1cccc(CC(=O)NN)c1 1328503919 BYJWKSXRQBNOEQ-UHFFFAOYSA-N 237.259 -0.656 50 20 BBGD O=C1CC[C@@H](C(=O)NNC(=O)c2ccco2)N1 1330572404 AOLWEJBSRXGEKF-LURJTMIESA-N 237.215 -0.681 50 20 BBGD C[C@@H](CNCc1cccc(B(O)O)c1)C(=O)O 1589067100 ZWYYJIQRLROJDA-QMMMGPOBSA-N 237.064 -0.823 50 20 BBGD O=C(O)CNC(=O)NN=C1CCC(O)CC1 1610784214 ZYUYWPGJDDMFQF-UHFFFAOYSA-N 229.236 -0.339 50 20 BBGD O=C(NNC(=O)c1cn[nH]n1)c1ccccn1 48888780 JGPOUCPBPCZWCU-UHFFFAOYSA-N 232.203 -0.726 50 20 BBGD CN(CC(=O)O)S(=O)(=O)CBr 307761246 YREFSQSJEAKAHH-UHFFFAOYSA-N 246.082 -0.315 50 20 BBGD COC(=O)NCC(=O)NNc1cnccn1 491499282 RDGQQDZRYRMHBA-UHFFFAOYSA-N 225.208 -0.724 50 20 BBGD CCc1cccc(OCC(=O)NCB(O)O)c1 585056636 SEBKYSCZBNCWNB-UHFFFAOYSA-N 237.064 -0.244 50 20 BBGD Cc1cccc(O[C@H](C)C(=O)NCB(O)O)c1 585058860 RVSMYOAEPCDANZ-SECBINFHSA-N 237.064 -0.109 50 20 BBGD C[C@H]1CCCC[C@H]1OCC(=O)NCB(O)O 585060069 LWXSBWYDMWNICC-DTWKUNHWSA-N 229.085 -0.290 50 20 BBGD O=C(NCB(O)O)c1ccc2nccnc2c1 585060268 CLHVPAFCAXWMGD-UHFFFAOYSA-N 231.020 -0.628 50 20 BBGD O=C(Cc1ccncc1)NNC(=O)c1nc[nH]n1 746207026 UWEGTOQSCSPQOE-UHFFFAOYSA-N 246.230 -0.797 50 20 BBGD C[C@H](NS(C)(=O)=O)C(=O)NN=C[C@@H]1C[C@@H]1C 758371636 YCEGGIGVWFYWTC-FXQIFTODSA-N 247.320 -0.318 50 20 BBGD NC(=O)C(=O)NN=CC1Cc2ccccc2C1 766428234 FDYKGVDPDDOYJQ-UHFFFAOYSA-N 231.255 -0.011 50 20 BBGD CN(C)CC(=O)NNC(=O)Nc1ccncn1 770763875 GXTYZBWZVPNNIE-UHFFFAOYSA-N 238.251 -0.809 50 20 BBGD CCNC(=O)NNC(=O)c1ccnn1CC 775819959 LYIBFJOLONPAKT-UHFFFAOYSA-N 225.252 -0.133 50 20 BBGD COc1ccc(C(=O)NNC(=O)CO)c(F)c1 777782952 YOHBBYKOCCXLQN-UHFFFAOYSA-N 242.206 -0.412 50 20 BBGD C=CCNC(=S)NNC(=O)c1cc[nH]n1 798304970 PAPSSVPDLPINTB-UHFFFAOYSA-N 225.277 -0.295 50 20 BBGD Cn1nncc1C(=O)NNC(=O)c1ccccn1 798820077 TWXWMZGNRCXVNM-UHFFFAOYSA-N 246.230 -0.715 50 20 BBGD NC(=O)NCCC(=O)NNc1ncccc1F 804218241 QTEIRVKCBIDEMK-UHFFFAOYSA-N 241.226 -0.278 50 20 BBGD COc1cc(C)nc(NNC(=O)[C@H]2CCN2)n1 830981270 RLTOAXORDVUZAX-SSDOTTSWSA-N 237.263 -0.401 50 20 BBGD CC[C@@H](C#N)C(=O)NNC(=O)c1ncccn1 846264609 LTBIHYHYVMCLAE-ZETCQYMHSA-N 233.231 -0.213 50 20 BBGD CNC(=S)N(C)NC(=O)[C@@](C)(O)C1CC1 854920403 BQCMEJPNSNRSDE-VIFPVBQESA-N 231.321 -0.385 50 20 BBGD C=C[C@H](O)C(=O)NNC(=S)NC(C)(C)C 899997533 XAIXYHIMTHQGID-LURJTMIESA-N 231.321 -0.173 50 20 BBGD O=C(CCO)NNC(=O)c1nccs1 1323959816 JQTIWNUEZHXYDB-UHFFFAOYSA-N 215.234 -0.714 50 20 BBGD CN(NC(=O)C[C@H]1CCCC(=O)N1)C(N)=O 1329824840 OXSQPNZSMVEFPI-ZCFIWIBFSA-N 228.252 -0.913 50 20 BBGD CNC(=O)NNC(=O)c1c(Cl)cnn1C 1330233433 GKTWYCCPLKFDDK-UHFFFAOYSA-N 231.643 -0.353 50 20 BBGD CCc1cnc(O)c(C(=O)NNC(=O)CO)c1 1331387091 KSRAKODKDYIISH-UHFFFAOYSA-N 239.231 -0.897 50 20 BBGD O=C(O)C[C@@H]1CN(C(=O)CCl)CCO1 1610763901 NQZSIWGMZKKGAV-ZCFIWIBFSA-N 221.640 -0.073 50 20 BBGD CN(NC(=O)[C@@H]1CCCCO1)C(N)=O 182660725 XPNNYPOVAVPXTI-LURJTMIESA-N 201.226 -0.403 50 20 BBGD CC[C@@H](OC)C(=O)NNC(=O)c1cnn(C)c1 265353915 UXXCMJJSDHWYSL-MRVPVSSYSA-N 240.263 -0.394 50 20 BBGD C#CCNC(=S)NNC(=O)NCC 306437596 LWBKGESZODOZKN-UHFFFAOYSA-N 200.267 -0.682 50 20 BBGD CCN1CCOC[C@H]1C(=O)NN(C)C(=O)OC 376017691 RWLBVRHYVDWXGS-QMMMGPOBSA-N 245.279 -0.564 50 20 BBGD C#CCN1CCC(C(=O)NNc2nc[nH]n2)CC1 491179074 CYZFKAHWOMCDBK-UHFFFAOYSA-N 248.290 -0.407 50 20 BBGD COC(=O)N(C)NC(=O)Cc1cc[nH]n1 495825172 MWKSSKGNOZIHJB-UHFFFAOYSA-N 212.209 -0.318 50 20 BBGD N#CC1(NC(=O)c2cccc(B(O)O)c2)CC1 584947562 UTXJIVKRRKWOMI-UHFFFAOYSA-N 230.032 -0.848 50 20 BBGD O=C(c1cccc(B(O)O)c1)N1CCCOC1 584988169 GMBSHIRMNLNUOJ-UHFFFAOYSA-N 235.048 -0.814 50 20 BBGD CC(=O)NCC(=O)NCCCSC#N 773584604 CHJCIQGLJXHWBU-UHFFFAOYSA-N 215.278 -0.157 50 20 BBGD C[C@@H]1C[C@H](C(=O)NN(C)C(N)=O)CO1 784461053 NJNWJIYFWNYLFZ-RITPCOANSA-N 201.226 -0.547 50 20 BBGD CC(C)(O)C(=O)NNC(=O)c1cnns1 787949017 IPJCQYIRDZRQFT-UHFFFAOYSA-N 230.249 -0.930 50 20 BBGD COCCONC(=O)NNC(=O)C(C)(C)C 789337738 BNMGQSYRVTVIFK-UHFFFAOYSA-N 233.268 -0.059 50 20 BBGD COc1cnc(C(=O)NNC(C)=O)nc1 814700437 URTVHSFLNOSICP-UHFFFAOYSA-N 210.193 -0.734 50 20 BBGD CCN(CCO)NC(=O)c1snnc1C 823837571 FFSRPTMYFKPZHT-UHFFFAOYSA-N 230.293 -0.194 50 20 BBGD C[C@@H](CO)N(C)NC(=O)[C@H]1CO[C@H](C)C1 823935839 WQXXQDFJQAIFKI-DJLDLDEBSA-N 216.281 -0.245 50 20 BBGD CCOC(=O)C1(C(=O)NN(C)[C@H](C)CO)CC1 823952981 WCEQSHRMXRRQOY-MRVPVSSYSA-N 244.291 -0.327 50 20 BBGD C=C[C@](C)(O)C(=O)NNC(=O)Cc1cccnc1 826123714 USEJXLIYAZNJGN-LBPRGKRZSA-N 249.270 -0.292 50 20 BBGD Cc1cc(=NNC(=O)C(=O)NCC2CC2)cc[nH]1 862511806 BQFLHCWKUUHEJA-UHFFFAOYSA-N 248.286 -0.219 50 20 BBGD C[C@H]1CCN1C(=O)NNC(=O)c1ncccn1 883694931 QMRMLVYIEPOEGH-ZETCQYMHSA-N 235.247 -0.075 50 20 BBGD NCCNCC(=O)NNc1ccc(F)cc1 912448455 QTVGCTRIXGKJDC-UHFFFAOYSA-N 226.255 -0.183 50 20 BBGD CC(=O)NNC(=S)NCCCN(C)C 916546120 KZUFPQWSLWVBNF-UHFFFAOYSA-N 218.326 -0.547 50 20 BBGD COc1cc(C=NNC(=O)C(N)=O)ccc1O 1084183392 KNLHGWYUTOBCJW-UHFFFAOYSA-N 237.215 -0.664 50 20 BBGD O=C(NNc1nc[nH]n1)c1cnn2ccncc12 1261245913 SZXPZSUZXOOFSB-UHFFFAOYSA-N 244.218 -0.396 50 20 BBGD Cc1nnc(NNC(=O)[C@]23CNC[C@@H]2C3)n1C 1579912941 VAJGLRCZJASBKP-OIBJUYFYSA-N 236.279 -0.824 50 20 BBGD CCC(CC)C(=O)NNC(=O)C(=O)NC1CC1 41980101 VXIHKSPOAZFZSS-UHFFFAOYSA-N 241.291 -0.151 50 20 BBGD C=CCNC(=S)NNC(=O)C1CC(=O)C1 281307083 RWHWZSHNBCVNDO-UHFFFAOYSA-N 227.289 -0.353 50 20 BBGD Cc1cc(CNCc2cccc(B(O)O)c2)no1 585019353 KONLTPJRXOPLAY-UHFFFAOYSA-N 246.075 -0.047 50 20 BBGD CS[C@H]1CC[C@@H]1NCc1ccc(B(O)O)o1 585029614 AYYPZULNGRMRMG-IUCAKERBSA-N 241.121 -0.057 50 20 BBGD CCc1c(NCc2ccc(B(O)O)o2)cnn1C 585034524 LZSTWVDPNNYYMK-UHFFFAOYSA-N 249.079 -0.133 50 20 BBGD CC1(C)[C@H](O)C[C@H]1NCc1ccccc1B(O)O 585036425 IZPYLMXBEZWLGL-VXGBXAGGSA-N 249.119 -0.385 50 20 BBGD CN(C)CC(=O)NNC(=O)C(C)(C)C#N 733359706 OFHNXZLROAKWCI-UHFFFAOYSA-N 212.253 -0.755 50 20 BBGD CCCNC(=O)NNC(=O)[C@H]1C[C@@H]1C(=O)O 737028836 QCAMQUZSSCJDRH-WDSKDSINSA-N 229.236 -0.553 50 20 BBGD O=C(Cc1cc[nH]n1)NNC(=O)Cc1ccco1 755268361 HXWNCJFWEMEYGL-UHFFFAOYSA-N 248.242 -0.065 50 20 BBGD Cc1cc(C(=O)NNC(=O)c2cnc(C)[nH]2)n[nH]1 768278135 IEPLVEKHPXHMKI-UHFFFAOYSA-N 248.246 -0.176 50 20 BBGD CCc1noc(C)c1C(C)=NNC(=O)C(N)=O 769797487 JJPUEFNMHKUVSK-UHFFFAOYSA-N 238.247 -0.129 50 20 BBGD O=C(NNC(=O)[C@H]1CCCCO1)[C@@H]1CCOC1 792620827 FIAUEFQFWCPILR-RKDXNWHRSA-N 242.275 -0.261 50 20 BBGD CC(C)C(=O)NNC(=O)NCCC(=O)O 817847417 POMYWOWCMSFVAD-UHFFFAOYSA-N 217.225 -0.553 50 20 BBGD C[C@H](CO)N(C)NC(=O)c1cn(C)cn1 823946963 QFCHWABYNLZGEX-SSDOTTSWSA-N 212.253 -0.623 50 20 BBGD CCN[C@@H](C)C(=O)NNc1ncccn1 876590386 VCUCZEMUNVUZGB-ZETCQYMHSA-N 209.253 -0.082 50 20 BBGD C[C@@H](CO)N(C)NC(=O)[C@H]1CCCC(=O)N1C 911444208 CELPJXVHICUQBY-DTWKUNHWSA-N 243.307 -0.659 50 20 BBGD CCOCCCNC(=S)NNC(=O)COC 920436817 IAXDBXHIBIREIY-UHFFFAOYSA-N 249.336 -0.445 50 20 BBGD CCNC(=O)NNC(=O)C[C@H]1CCOC1 1255772138 ISWUSNDNFDKQJD-SSDOTTSWSA-N 215.253 -0.237 50 20 BBGD CC(=O)NNC(=O)COc1c(C)occc1=O 1332583841 RCILNANRCFMQSF-UHFFFAOYSA-N 240.215 -0.506 50 20 BBGD CC(=O)OCCOc1ccc(B(O)O)cc1 1332763615 BRBQKQDLAGZFEU-UHFFFAOYSA-N 224.021 -0.692 50 20 BBGD CC[C@@H](F)C(=O)NNC(=O)C(=O)N1CCCC1 1335772707 LPIKWYWFAMOFQP-SSDOTTSWSA-N 245.254 -0.496 50 20 BBGD CC[C@@H](C)NC(=S)NNC(=O)c1ncon1 1336920478 SYOQJSNMJIYNAI-RXMQYKEDSA-N 243.292 -0.023 50 20 BBGD CCCNC(=O)NNC(=O)[C@@H](N)CCOC 1577545211 OEMDMBOFHCELIF-ZETCQYMHSA-N 232.284 -0.909 50 20 BBGD COc1ccnc(NNC(=O)C[C@@H](C)N)n1 1579317437 VBPJPQNUXDHXIZ-ZCFIWIBFSA-N 225.252 -0.334 50 20 BBGD O=C(NCc1nccs1)NNC(=O)C(=O)O 1601552149 OAMHEYBUTWOOBH-UHFFFAOYSA-N 244.232 -0.942 50 20 BBGD C[C@@H](C(=O)O)C(=O)NNc1ccn(C)n1 1602806827 XZLPSKKQWFRANK-RXMQYKEDSA-N 212.209 -0.416 50 20 BBGD CCNC(=O)N(C)NC(=O)[C@H]1CC[C@H]1C(=O)O 1603770476 NKLSJIXPWZYDBB-NKWVEPMBSA-N 243.263 -0.210 50 20 BBGD CCOC(=O)/C(C#N)=C/NCCNC(C)=O 28805104 FCQYSKYGQLREHH-VQHVLOKHSA-N 225.248 -0.317 50 20 BBGD COC(=O)NNC(=O)COCC1CC1 185416294 IPHLULGIIPTWLQ-UHFFFAOYSA-N 202.210 -0.200 50 20 BBGD CCCC(=O)N1CCC[C@@H]1C(=O)NNC(C)=O 274230058 UDLFIQQLZNFYFK-SECBINFHSA-N 241.291 -0.055 50 20 BBGD Cc1nscc1C(=O)NNC(=O)C(C)(C)O 277869231 CREFNJRTCSXAOQ-UHFFFAOYSA-N 243.288 -0.017 50 20 BBGD CCO/C=C(\C#N)C(=O)NCCc1nc[nH]n1 491164270 ZYBWYZCHJBAYHO-SOFGYWHQSA-N 235.247 -0.093 50 20 BBGD C[C@@H]1OC(=O)N[C@H]1C(=O)NNC(=O)C1CCC1 495976034 RYZPZFKVXQWOBW-CAHLUQPWSA-N 241.247 -0.569 50 20 BBGD OB(O)c1ccccc1CNC[C@H]1CC[C@@H](O)C1 585037758 JCNKAYXMHJSSTQ-CMPLNLGQSA-N 249.119 -0.383 50 20 BBGD OB(O)c1ccc(CN[C@H]2[C@H]3CCC[C@H]32)o1 585049637 IRACCNFDMKPZSH-DOFRTFSJSA-N 221.065 -0.153 50 20 BBGD CN(C)C(=O)NNC(=O)CC1(O)CCCC1 746184001 CQZLMHQRXOTXTK-UHFFFAOYSA-N 229.280 -0.016 50 20 BBGD CN(NC(=O)[C@@H]1C[C@H]2CC[C@H]1O2)C(N)=O 778416566 CLLRNCBXBIRPLV-FSDSQADBSA-N 213.237 -0.404 50 20 BBGD CCN(C)c1ccc(C=NNC(=O)C(N)=O)cn1 790142754 GBUKHBYYINPCPK-UHFFFAOYSA-N 249.274 -0.527 50 20 BBGD C[C@@H](C#N)C(=O)NNC(=O)N=c1cc[nH]cc1 802030777 RGBRFHKCEZEQCL-ZETCQYMHSA-N 233.231 -0.184 50 20 BBGD COC[C@@](C)(O)C(=O)NNc1ncncc1F 817080893 JLEIJVPZESLHMI-SECBINFHSA-N 244.226 -0.544 50 20 BBGD COC[C@](C)(O)C(=O)NN(C)C1CC1 819649197 JPXKXMKBSRYTIC-VIFPVBQESA-N 202.254 -0.491 50 20 BBGD C#C[C@@H](C)NC(=O)NNC(=O)COCC 820436474 XPNUVWNXRYUFLI-SSDOTTSWSA-N 213.237 -0.625 50 20 BBGD C#CCO[C@@H](C)C(=O)NN(C)[C@H](C)CO 823917251 GIHFNVIHGAEZAV-BDAKNGLRSA-N 214.265 -0.632 50 20 BBGD COC(=O)C[C@@H](C)C(=O)NN(C)[C@@H](C)CO 823945955 AYIWYUNWAFTMDL-SFYZADRCSA-N 232.280 -0.471 50 20 BBGD C[C@H]1OCC[C@@H]1C(=O)NNS(=O)(=O)C1CC1 842593769 XMAQJCFQOPQZDY-SVRRBLITSA-N 248.304 -0.476 50 20 BBGD CCCN(C)CC(=O)NNC(=O)c1cn[nH]c1 862471417 DCHOBZCBYGYULC-UHFFFAOYSA-N 239.279 -0.488 50 20 BBGD CN(CC(=O)NNc1cnnn1C)C1CCC1 863920123 KGNWYTJLNFWJKD-UHFFFAOYSA-N 238.295 -0.258 50 20 BBGD CC[C@@H](CO)C(=O)NNC(=O)[C@H]1CCCCO1 908517796 QNDZIHSCJRQMFC-DTWKUNHWSA-N 244.291 -0.279 50 20 BBGD COCn1ccc(C(=O)NN(C)C[C@H](C)O)n1 910145515 SZIXKZOATJSTIH-QMMMGPOBSA-N 242.279 -0.556 50 20 BBGD CCNC(=O)CCC(=O)NN(C)C[C@H](C)O 910163395 BRSLUBSAOSPFMA-QMMMGPOBSA-N 231.296 -0.754 50 20 BBGD C#CCN(C(=O)c1cccc(B(O)O)c1)C(C)C 928622333 AAHIXUXWEUDZPF-UHFFFAOYSA-N 245.087 -0.150 50 20 BBGD CC(=O)NN=C1CCC2(CC1)NC(=O)NC2=O 1253685786 QEFYBBSRBHTOQN-UHFFFAOYSA-N 238.247 -0.369 50 20 BBGD CC(C)NC(=O)NNS(=O)(=O)c1cn[nH]c1 1337951734 KBLZCKGUZDHAKO-UHFFFAOYSA-N 247.280 -0.689 50 20 BBGD COC(=O)C(=O)NN=C(C)c1c[nH]nc1C 1343881970 JINKPKGOTZRSNF-UHFFFAOYSA-N 224.220 -0.269 50 20 BBGD Cc1cc(=NNC(=O)[C@H]2C[C@@H](F)CN2)cc[nH]1 1574143332 BYKHVLQNNVZNBA-PSASIEDQSA-N 238.266 -0.045 50 20 BBGD C[C@@]1(C(=O)NNC(=O)c2ncccn2)CCCN1 1579473264 OJLXBRBCZGQFHD-NSHDSACASA-N 249.274 -0.620 50 20 BBGD CC(C)CC(=O)NNC(=O)COCC(=O)O 1603002975 TZXDVMUBVDQITH-UHFFFAOYSA-N 232.236 -0.719 50 20 BBGD CC1(C)C[C@@H]1CNC(=O)NNC(=O)C(=O)O 1604520393 JUCSMIFPBNMLTR-RXMQYKEDSA-N 229.236 -0.553 50 20 BBGD CCOC(=O)NNC(=O)[C@@H]1CCCO1 48089662 LTOHMQQUDMGSLS-LURJTMIESA-N 202.210 -0.057 50 20 BBGD CCCNC(=O)NNC(=O)CNC(=O)OC 49279017 DAVKFCAAOSNCDA-UHFFFAOYSA-N 232.240 -0.917 50 20 BBGD O=C(CO)NNC(=O)CC[C@H]1CCCCO1 180951754 MYRYIXXYBFHUAP-MRVPVSSYSA-N 230.264 -0.525 50 20 BBGD COc1cccc(NNC(=O)[C@@H](C)O)n1 183035982 LQFYSOUIOVHMIL-ZCFIWIBFSA-N 211.221 -0.086 50 20 BBGD O=C(NC1CCOCC1)c1ccc(B(O)O)cc1 197882949 XCUJREQTVDUSDI-UHFFFAOYSA-N 249.075 -0.725 50 20 BBGD COc1cc(C)nc(NNC(=O)CCN)n1 237116856 OREUSBRJKOAAAL-UHFFFAOYSA-N 225.252 -0.414 50 20 BBGD C[C@@H](O)C(=O)NNC(=O)NCC(F)(F)F 281379253 XDPCFUDULGFNCO-GSVOUGTGSA-N 229.158 -0.740 50 20 BBGD OB(O)c1ccc(CNC2CC3(CC3)C2)o1 585048681 BTQVJXSALNLSDU-UHFFFAOYSA-N 221.065 -0.008 50 20 BBGD Cc1cc(NNC(=O)C(C)(C)C(N)=O)ncn1 769983759 IBXPCORDYUZXFB-UHFFFAOYSA-N 237.263 -0.260 50 20 BBGD CCc1nn(C)cc1C(=O)NNC(=O)N(C)C 770721115 TXEZJHIOTLROJQ-UHFFFAOYSA-N 239.279 -0.102 50 20 BBGD CCOCC(=O)O[C@@H](C)C(=O)NNC(=O)CC 771894702 RJHAVTKYSOTFJA-ZETCQYMHSA-N 246.263 -0.488 50 20 BBGD Cn1cnc(C(=O)NNC(=O)C2CCCC2)n1 810097606 KDRAAWJSDKVGCU-UHFFFAOYSA-N 237.263 -0.234 50 20 BBGD O=C(CO)NNC(=O)[C@@H]1CCCSC1 810919283 YELMPDSBJJFTSM-ZCFIWIBFSA-N 218.278 -0.731 50 20 BBGD CC(=O)N[C@H](C)C(=O)NNC(=O)CC1CC1 819144424 HVJGCTUFGJUBGB-ZCFIWIBFSA-N 227.264 -0.542 50 20 BBGD C[C@@H]1CCCC[C@@H]1C(=O)NNC(=O)CO 819924428 FJXHNHHZGJKSLY-SFYZADRCSA-N 214.265 -0.048 50 20 BBGD C[C@@H](CO)N(C)NC(=O)C[C@H]1CCCO1 823912355 DCMYRQJIGVAWBT-DTWKUNHWSA-N 216.281 -0.101 50 20 BBGD CO[C@H](C)CC(=O)NN(C)[C@@H](C)CO 823964835 FANIRHLRCSEBOZ-JGVFFNPUSA-N 204.270 -0.245 50 20 BBGD C[C@H](CO)N(C)NC(=O)c1cn2cccnc2n1 823970709 JMFRQKLWANJVFS-MRVPVSSYSA-N 249.274 -0.313 50 20 BBGD CN1C(=O)CC[C@@H]1CC(=O)NN=c1cc[nH]cc1 831867741 HVBAUAXXNSYRPV-SNVBAGLBSA-N 248.286 -0.043 50 20 BBGD CON1CCC(=NNC(=O)C(C)(C)O)CC1 834973658 YSZQCJFCWXOUFX-UHFFFAOYSA-N 229.280 -0.113 50 20 BBGD COC/C=C\C(=O)NNC(=O)[C@@H]1CCO[C@H]1C 843970411 FQDQUAISLMHWCR-HNRDENNGSA-N 242.275 -0.239 50 20 BBGD CNC(=S)N(C)NC(=O)[C@H]1CCO[C@@H]1C 854922466 LUYAAZZVOSWCGL-RQJHMYQMSA-N 231.321 -0.121 50 20 BBGD CC(C)(CO)C(=O)NNC(=O)c1cc[nH]n1 855356015 FERZTFRXPVTEKV-UHFFFAOYSA-N 226.236 -0.811 50 20 BBGD CC(C)[C@H](NC=O)C(=O)NN(C)C1CC1 862038598 XMNOKFJQRFSBDK-VIFPVBQESA-N 213.281 -0.118 50 20 BBGD C[C@@H](C(=O)NNC(=O)c1cn[nH]c1)N(C)C 862472580 NJEJXKJJPOZKBR-LURJTMIESA-N 225.252 -0.879 50 20 BBGD CCOC(=O)[C@H](C(=O)NNC(C)=O)C(C)C 873740044 XUSLGSQRTZBNBR-QMMMGPOBSA-N 230.264 -0.011 50 20 BBGD C[C@H]1COC[C@@H]1NCc1ccc(B(O)O)cc1 896734445 WAFLARFYNCGEMT-CABZTGNLSA-N 235.092 -0.509 50 20 BBGD COC(=O)CC(=O)NNC(=O)c1cccn1C 905346101 OQXHWVQBXCLRBE-UHFFFAOYSA-N 239.231 -0.651 50 20 BBGD C[C@@H](O)CN(C)NC(=O)[C@@]1(C)CCOC1 910151708 IRPGLSJONLBAMY-SCZZXKLOSA-N 216.281 -0.243 50 20 BBGD C#CCOc1ccccc1C=NNC(=O)C(N)=O 916274683 RAKYNJHTRJIVAS-UHFFFAOYSA-N 245.238 -0.366 50 20 BBGD Cn1cc(C(=O)N2CC[C@H](B(O)O)C2)cn1 1261844570 SXAAWLVYZHIPHX-QMMMGPOBSA-N 223.041 -0.891 50 20 BBGD Cn1cncc1C=NNC(=O)CN1CCCC1=O 1319705900 SFXWBDCDUVTVGP-UHFFFAOYSA-N 249.274 -0.507 50 20 BBGD COCCCOCC(=O)NNc1cnnn1C 1324568733 LYJXZWRSGRHMIF-UHFFFAOYSA-N 243.267 -0.689 50 20 BBGD CN(C)C(=O)NNC(=O)[C@@H]1CCOC1 1324986257 AQIXLLHCAUAYGS-ZCFIWIBFSA-N 201.226 -0.675 50 20 BBGD COCCN(C)NC(=O)c1cc[n+]([O-])cc1 1325266972 RAQDZGNOKFSIKY-UHFFFAOYSA-N 225.248 -0.457 50 20 BBGD C[C@H](NNC(=O)C(=O)NC1CC1)C(F)(F)F 1329522816 UKFIDJXUQHKMKO-BYPYZUCNSA-N 239.197 -0.163 50 20 BBGD COC(=O)NNC(=O)c1cn(C2CC2)nn1 1331869001 QBTIBEWRXOZZQU-UHFFFAOYSA-N 225.208 -0.386 50 20 BBGD Cc1nc(CC(=O)NNC(=O)C(C)C)n[nH]1 1347284491 ZGQQSPNXSAVTSG-UHFFFAOYSA-N 225.252 -0.541 50 20 BBGD CCOC(=O)NCCC(=O)NNC(=O)NC 48950280 OXOFGCJBBIJORR-UHFFFAOYSA-N 232.240 -0.917 50 20 BBGD O=C(Cc1cccnc1)NNC(=O)c1cc[nH]n1 103423822 MWBISVNQUOFLBM-UHFFFAOYSA-N 245.242 -0.192 50 20 BBGD COC(=O)NCCCC(=O)NNC(=O)OC 274299090 PVUXLDKXBMXLBB-UHFFFAOYSA-N 233.224 -0.490 50 20 BBGD Cc1cc(C)nc(NNC(=O)[C@@H](C)O)n1 276044822 HKMYXPHJZRXFRC-SSDOTTSWSA-N 210.237 -0.083 50 20 BBGD CC(C)(O)C(=O)NNC(=O)c1cncc(F)c1 277946824 LBLBQJNZUXJELK-UHFFFAOYSA-N 241.222 -0.247 50 20 BBGD CC[C@@H](CNCc1cccc(B(O)O)c1)OC 585042117 ZVOBAQLRFXCYSY-LBPRGKRZSA-N 237.108 -0.119 50 20 BBGD OCC1(CCNCc2ccccc2B(O)O)CC1 585044733 RHMBRUVTXQHWBC-UHFFFAOYSA-N 249.119 -0.381 50 20 BBGD NC(=O)NNC(=O)c1cc([N+](=O)[O-])ccc1O 743248359 AEXMMZRGYGYGRK-UHFFFAOYSA-N 240.175 -0.387 50 20 BBGD Cn1nccc1C(=O)NNC(=O)NCC1CC1 749585037 JBWIMFGQMGGPLZ-UHFFFAOYSA-N 237.263 -0.226 50 20 BBGD COc1nccnc1NNC(=O)c1ccn(C)n1 764471554 XUFOJADJWZXMGS-UHFFFAOYSA-N 248.246 -0.024 50 20 BBGD CCNC(=O)N(C)NC(=O)[C@H]1CCOC1 770550256 XAEUYJUKVGUPFF-ZETCQYMHSA-N 215.253 -0.285 50 20 BBGD O=C(CO)NNC(=O)[C@@H]1CCC(F)(F)C1 795239114 PZBFYDOSCIJWJP-RXMQYKEDSA-N 222.191 -0.439 50 20 BBGD CNC(=O)NNC(=O)[C@H]1CCCCN1C(C)=O 795527012 IDWVFLOHNCSRAF-MRVPVSSYSA-N 242.279 -0.652 50 20 BBGD CN(CC(Cl)Cl)C(=O)Cn1cnnn1 808247457 AIGFXBBHRWAKHK-UHFFFAOYSA-N 238.078 -0.065 50 20 BBGD C#CCN1CCC[C@H]1C(=O)NN(C)[C@H](C)CO 823960199 XLDOMBKLUDXOAG-MNOVXSKESA-N 239.319 -0.572 50 20 BBGD CCC[C@H](OC)C(=O)NNC(=O)C(C)(C)O 830696392 GHCPENXNZAGVAC-ZETCQYMHSA-N 232.280 -0.280 50 20 BBGD CCC(=O)NNC(=O)[C@H](C)N1CCC[C@@H](N)C1 843345355 CDPSTUHRTYKIHV-DTWKUNHWSA-N 242.323 -0.645 50 20 BBGD O=S(=O)(CBr)O[C@H]1CNOC1 845931727 VVGQUDAJCJIIBD-BYPYZUCNSA-N 246.082 -0.411 50 20 BBGD COC(=O)N(C)NC(=O)[C@@H](O)C1CC1 854410258 WAOGYBKPRNOUDY-LURJTMIESA-N 202.210 -0.513 50 20 BBGD CNC(=S)N(C)NC(=O)CN(C)C 854926306 VTJQUFWLIVKHII-UHFFFAOYSA-N 204.299 -0.985 50 20 BBGD COC(=O)CC(=O)NNc1ncc(F)cn1 907155055 ILYKXRIJJSTLRI-UHFFFAOYSA-N 228.183 -0.378 50 20 BBGD C=CCCOCC(=O)NNC(=O)NC 920745173 IJCMCICGKUYFEZ-UHFFFAOYSA-N 201.226 -0.461 50 20 BBGD NC(=O)CCCC(=O)NNC(=O)NC1CC1 1256115347 FIXOIZZYRFJHOK-UHFFFAOYSA-N 228.252 -0.865 50 20 BBGD CC(C)C(=O)NNC(=O)Cc1cncn1C 1322824462 UCOYTZPAOKTIGM-UHFFFAOYSA-N 224.264 -0.234 50 20 BBGD CCNC(=O)NNC(=O)CCc1cncnc1 1324444983 OFDOSELYABIHLA-UHFFFAOYSA-N 237.263 -0.241 50 20 BBGD Cn1cnc(C=NNC(=O)Cc2cc[nH]n2)c1 1324928387 RDKWJKUOKXTPDH-UHFFFAOYSA-N 232.247 -0.164 50 20 BBGD C[C@H]1CC(=NNC(=O)C(N)=O)CC[C@@H]1C(=O)O 1327798118 QBKXPMSPKIWTFS-FSPLSTOPSA-N 241.247 -0.535 50 20 BBGD C[C@H](NNC(=O)CS(C)(=O)=O)C(F)(F)F 1329520472 BFZRPQBQOZFPKN-BYPYZUCNSA-N 248.226 -0.397 50 20 BBGD OB(O)[C@@H]1CCN(c2cnnc(O)c2Cl)C1 1329671750 LPKMJOUCHPDFQC-RXMQYKEDSA-N 243.459 -0.111 50 20 BBGD C[C@@H]1COCC1=NNC(=O)CS(C)(=O)=O 1333644616 YWONQYWQRZEFAB-ZCFIWIBFSA-N 234.277 -0.831 50 20 BBGD CNC(=S)N(C)NC(=O)c1nnn(C)c1C 1334442011 VGAPTHOBRGPJCY-UHFFFAOYSA-N 242.308 -0.796 50 20 BBGD CCO/C=C(\C#N)C(=O)NCc1nn[nH]n1 1348526221 XBEGZSGGRWWMJR-AATRIKPKSA-N 222.208 -0.740 50 20 BBGD Cn1nncc1NNC(=O)CCn1cccn1 1351214888 GCTDSBXKGRSMTD-UHFFFAOYSA-N 235.251 -0.455 50 20 BBGD CS(=O)(=O)SCCNC(=O)CCN 1574084440 DZFRQLCUOJAJAA-UHFFFAOYSA-N 226.323 -0.856 50 20 BBGD Cc1cccc(NNC(=O)CC2(O)CNC2)n1 1579772083 OBKQMACHYCLDBH-UHFFFAOYSA-N 236.275 -0.442 50 20 BBGD C#CCN(CC(=O)O)S(=O)(=O)CCl 1588425024 CPNJPHYTKSCMFU-UHFFFAOYSA-N 225.653 -0.468 50 20 BBGD CCN(CCO)NC(=O)c1cc(C(=O)O)no1 1596340714 LNLCMOKBCWHBBK-UHFFFAOYSA-N 243.219 -0.668 50 20 BBGD OB(O)c1ccc(OC[C@@H]2CCCO2)cc1 197957869 YBNLRICTIMRRJI-NSHDSACASA-N 222.049 -0.076 50 20 BBGD COC(=O)N(C)NC(=O)c1n[nH]cc1[N+](=O)[O-] 286295184 JMDWABWNHPLSSD-UHFFFAOYSA-N 243.179 -0.339 50 20 BBGD COCCCCNCc1cccc(B(O)O)c1 585015527 DUEJCZWFXQZUFX-UHFFFAOYSA-N 237.108 -0.117 50 20 BBGD CCc1cccc(CC(=O)NCB(O)O)c1 585062629 LABXSUBFCWXCKK-UHFFFAOYSA-N 221.065 -0.080 50 20 BBGD CN(C)CC(=O)NN=Cc1ccc(C(N)=O)cc1 727647924 OFWCHSXPYCSWCB-UHFFFAOYSA-N 248.286 -0.203 50 20 BBGD CCc1nn(C)cc1C(=O)NN(C)C(N)=O 778411185 CKWCXOLQPHRFNU-UHFFFAOYSA-N 225.252 -0.362 50 20 BBGD C[C@H](CO)N(C)NC(=O)c1ccc2nn[nH]c2c1 823983014 IYTIPHSFXYTHOC-SSDOTTSWSA-N 249.274 -0.085 50 20 BBGD CC[C@H](OC)C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 843649011 SWTFGWSTYXWCKU-HLTSFMKQSA-N 244.291 -0.016 50 20 BBGD CO[C@H](C)CC(=O)NNC(=O)c1cc[nH]n1 855359303 MQTPVYZOJRUSSH-ZCFIWIBFSA-N 226.236 -0.404 50 20 BBGD C[C@H](NNC(=O)[C@@]1(O)CCOC1)C(F)(F)F 862323028 OTQVVTGERZROSD-CAHLUQPWSA-N 242.197 -0.291 50 20 BBGD O=C1CC[C@H](COc2ccc(B(O)O)cc2)O1 863865282 BDTPCROPKJJPFZ-SNVBAGLBSA-N 236.032 -0.549 50 20 BBGD COC/C=C\C(=O)NNC(=O)[C@@H]1CCCCO1 868619154 INXLSRSCHAHLRI-RNEXMXFGSA-N 242.275 -0.095 50 20 BBGD O=C(O)[C@H]1C[C@H](NCc2cccc(B(O)O)c2)C1 901710709 NMQBPWQTOSTMSS-HOMQSWHASA-N 249.075 -0.681 50 20 BBGD C[C@@H](O)CN(C)NC(=O)C[C@@H]1CCCO1 910171069 RZSWZLYAUMYIHE-BDAKNGLRSA-N 216.281 -0.101 50 20 BBGD N#CC1=CCN(C(=O)[C@@H]2CCNC2=O)CC1 1261760164 BZUMCVJKAYUYBJ-SECBINFHSA-N 219.244 -0.195 50 20 BBGD CCNC(=O)NNC(=O)c1cc(C)[nH]n1 1317994068 KLQXXIBSEVUWCV-UHFFFAOYSA-N 211.225 -0.318 50 20 BBGD Cn1cc(C(=O)NN=Cc2cncn2C)cn1 1320193711 KYAZMUNZNDRPSA-UHFFFAOYSA-N 232.247 -0.083 50 20 BBGD Cc1noc(CNC(=O)NNc2cccnn2)n1 1321968371 BJTLRQLVYCUEIW-UHFFFAOYSA-N 249.234 -0.006 50 20 BBGD COC(=O)N(C)NC(=O)CCc1nc[nH]n1 1322071016 VPYBYZMPBCRHNR-UHFFFAOYSA-N 227.224 -0.533 50 20 BBGD CN(C)c1noc(CNC(=O)CCl)n1 1327856968 CCOLRWZELDLFBM-UHFFFAOYSA-N 218.644 -0.009 50 20 BBGD C[C@@H](Cc1cnc[nH]1)C(=O)NN(C)C(N)=O 1329177851 JOPRJGPOIALJTQ-LURJTMIESA-N 225.252 -0.370 50 20 BBGD C[C@H](O)CN(C)NC(=O)C1CCN(C)CC1 1333348332 XKKCKMFVTYZPIZ-VIFPVBQESA-N 229.324 -0.328 50 20 BBGD C[C@@H](O)CN(C)NC(=O)CCc1ccncn1 1334202538 NJFQSBMHCPJWSU-SECBINFHSA-N 238.291 -0.247 50 20 BBGD C#CCCCC(=O)NNC(=O)C#CCOC 1351834461 NBFJHTHVFGCLCV-UHFFFAOYSA-N 222.244 -0.413 50 20 BBGD COCC(=NNC(=O)C(=O)O)C1CC1 1599140649 DUEOWKZYPJJBPO-UHFFFAOYSA-N 200.194 -0.400 50 20 BBGD Cc1cc(C=NNC(=O)C(=O)O)ncn1 1600185879 ZIDITVAAFOZYSV-UHFFFAOYSA-N 208.177 -0.680 50 20 BBGD C[C@@H](CO)N(C)NC(=O)[C@@H]1CC[C@H]1C(=O)O 1603201464 CVBUPSBETFYSNP-XLPZGREQSA-N 230.264 -0.559 50 20 BBGD C=CCNC(=S)NNC(=O)[C@H]1CCCO1 41960686 GSQRJVYMYSXLMT-SSDOTTSWSA-N 229.305 -0.153 50 20 BBGD CCOC(=O)NNS(=O)(=O)c1cnn(C)c1 48652949 HEWVHQVNBQOISR-UHFFFAOYSA-N 248.264 -0.641 50 20 BBGD C=CCNC(=S)NNC(=O)[C@H]1CCCN1C 281304740 ROVAJPUJCOAONH-MRVPVSSYSA-N 242.348 -0.238 50 20 BBGD CCNC(=O)N(C)NS(=O)(=O)CC 379410032 FGFQYHWVPMDEAM-UHFFFAOYSA-N 209.271 -0.498 50 20 BBGD O=C(O)c1cccnc1N1CC[C@H](B(O)O)C1 585078377 CTEDUJALVCDLMG-ZETCQYMHSA-N 236.036 -0.167 50 20 BBGD CS[C@@H](C)C(=O)NNC(=O)N1CCOCC1 745986420 SVOCAPXNPJSSHV-ZETCQYMHSA-N 247.320 -0.189 50 20 BBGD CCN(CCO)NC(=O)c1cc(C)n(C)n1 823852953 USZIYWOUCZBLMG-UHFFFAOYSA-N 226.280 -0.312 50 20 BBGD CCN(CCO)NC(=O)C1(O)CCC1 823873742 HLPAVLOCFRBGRE-UHFFFAOYSA-N 202.254 -0.753 50 20 BBGD CCCNC(=O)CCC(=O)NN(C)[C@@H](C)CO 823959918 SDUDKWXSHOZCDZ-VIFPVBQESA-N 245.323 -0.363 50 20 BBGD Cc1cc(C)nc(NNC(=O)Cn2cncn2)n1 849366820 SRHFQYQUZPTLBQ-UHFFFAOYSA-N 247.262 -0.172 50 20 BBGD O=C(CO)NN=Cc1ccnn1CC1CC1 853329435 JXFWIZIRAXUYNS-UHFFFAOYSA-N 222.248 -0.265 50 20 BBGD N#CSCCCNC(=O)C1=NNC(=O)C1 854362375 MFFGCGCHFJSUCV-UHFFFAOYSA-N 226.261 -0.417 50 20 BBGD CNC(=S)N(C)NC(=O)CCn1cccn1 854926651 HUEVIMDAAHXTAT-UHFFFAOYSA-N 241.320 -0.260 50 20 BBGD CN(C)S(=O)(=O)/C(C#N)=C/c1cnn(C)n1 901503652 UHDBUXJREDEGFH-XBXARRHUSA-N 241.276 -0.429 50 20 BBGD CS(=O)(=O)CC(=O)NNc1ccccn1 1116486703 NIKOGBBVMALYND-UHFFFAOYSA-N 229.261 -0.431 50 20 BBGD CCOCCC(=O)NNc1nnc(C)c(O)n1 1318259555 UXKQNTPIGHKDES-UHFFFAOYSA-N 241.251 -0.245 50 20 BBGD CNC(=S)N(C)NC(=O)[C@H]1CCCC[C@H]1N 1578566079 YILREIXCOIMHTL-JGVFFNPUSA-N 244.364 -0.029 50 20 BBGD CC(=NNC(=O)C(=O)O)c1cc(C)on1 1589010988 NSCFKOFWSUYWTI-UHFFFAOYSA-N 211.177 -0.092 50 20 BBGD CS[C@H](C)CNC(=O)NNC(=O)C(=O)O 1599785371 TUNYIBZIVIFONQ-SCSAIBSYSA-N 235.265 -0.847 50 20 BBGD O=C(O)C(=O)NN=C1CCCS(=O)(=O)CC1 1601637608 DCVCQWBRVURQKA-UHFFFAOYSA-N 248.260 -0.858 50 20 BBGD O=C(CO)NN=Cc1csc(C(=O)O)c1 1776052789 RIMCWQXXWMZSBX-UHFFFAOYSA-N 228.229 -0.111 50 20 BBGD O=C(NNC(=O)C1CCC1)c1c[nH]nn1 104643713 WIWKWTYSMRVASY-UHFFFAOYSA-N 209.209 -0.634 50 20 BBGD C#CCC(C)(C)C(=O)NNC(=O)CN(C)C 186418783 QJJBJNCXUHNCHN-UHFFFAOYSA-N 225.292 -0.255 50 20 BBGD Cn1cnc(C(=O)NNC(=O)[C@@H]2CCCO2)c1 294724513 SVIFXUNSTVQAFS-QMMMGPOBSA-N 238.247 -0.640 50 20 BBGD CS(=O)(=O)N1CCC(=NNC(N)=O)CC1 308803026 MXEFWRAILSIBFI-UHFFFAOYSA-N 234.281 -0.934 50 20 BBGD CNC(=O)NNC(=O)c1ccc(NC)nc1 309457727 NAPYUIUNFOXHGQ-UHFFFAOYSA-N 223.236 -0.303 50 20 BBGD CC[C@@H](CO)NCc1cccc(B(O)O)c1 585014655 APFQYABCNJIAOB-NSHDSACASA-N 223.081 -0.773 50 20 BBGD O=C(NNC(=O)[C@H]1CCOC1)C1CCC1 732143152 UGUAXCZVNDVTPA-QMMMGPOBSA-N 212.249 -0.030 50 20 BBGD CNC(=O)NNC(=O)[C@@]1(C)CCOC1 755141587 JBTMUSPYYYNSKZ-QMMMGPOBSA-N 201.226 -0.627 50 20 BBGD CN(C)CC(=O)NN=C1CCC(O)CC1 761807458 JENDBHQOAZLVMW-UHFFFAOYSA-N 213.281 -0.045 50 20 BBGD O=C(NNC(=O)C1CC1)c1n[nH]cc1[N+](=O)[O-] 763263410 BRLXTZOZJAEODM-UHFFFAOYSA-N 239.191 -0.511 50 20 BBGD COCC(=O)NN=Cc1cnc(N(C)C)n1C 811644669 FDMSTRAFOFUPQB-UHFFFAOYSA-N 239.279 -0.417 50 20 BBGD COC[C@@H](OC)C(=O)NNC(=O)C(C)(C)C 822244500 LQKVHDQYWAJUFJ-SSDOTTSWSA-N 232.280 -0.159 50 20 BBGD CCn1nc(C)c(C(=O)NN(C)[C@H](C)CO)n1 823922116 HHGFAUNBMJATEV-SSDOTTSWSA-N 241.295 -0.436 50 20 BBGD Cc1nn(C)cc1C(=O)NN(C)[C@@H](C)CO 823959406 HZVSAFDDVITZMX-ZETCQYMHSA-N 226.280 -0.314 50 20 BBGD CCNC(=O)N(C)NC(=O)[C@H]1C[C@@]12CCNC2 831944671 FNORVJJBHHUILP-LDYMZIIASA-N 240.307 -0.322 50 20 BBGD CCn1cnc(C(=O)NNC(=O)C(C)(C)O)c1 832754982 XSWNIVXQBDCHQS-UHFFFAOYSA-N 240.263 -0.565 50 20 BBGD CC(=O)NNC(=O)[C@@H]1CCc2cnc(C)n2C1 845071461 DJNITHNCIXDDKI-SECBINFHSA-N 236.275 -0.079 50 20 BBGD C[C@H](N)CNS(=O)(=O)CBr 850586688 COLSASBYQYWNCH-BYPYZUCNSA-N 231.115 -0.395 50 20 BBGD CCCNC(=O)NNC(=O)[C@@H](C)NC(=O)CC 921038382 XQBKLBPVVKXFFI-SSDOTTSWSA-N 244.295 -0.359 50 20 BBGD COC(=O)c1ccc(C=NNC(=O)C(N)=O)o1 1317878342 ZCZNJHOCTAYXKM-UHFFFAOYSA-N 239.187 -0.998 50 20 BBGD CN1CCC(=NNC(=O)c2cccnn2)C1=O 1336995352 QOAVHSGIOQCZQO-UHFFFAOYSA-N 233.231 -0.576 50 20 BBGD C[C@H](O)CN(C)NC(=O)CCn1ccnn1 1339538587 CUJUCSKZZRUFBO-QMMMGPOBSA-N 227.268 -0.988 50 20 BBGD CNC(=S)N(C)NC(=O)[C@@H]1C[C@H]1F 1347685152 NFFOMKIQAADDSV-RFZPGFLSSA-N 205.258 -0.188 50 20 BBGD CO[C@@H]1CCC[C@H]1C(=O)NNC(=O)CCCN 1578936122 AWOCBKBDAZPNSZ-RKDXNWHRSA-N 243.307 -0.312 50 20 BBGD O=C(NNC(=O)[C@@H]1NC[C@@H]2C[C@@H]21)c1ccncc1 1580735852 FXSUDYPQMNNJQQ-LPEHRKFASA-N 246.270 -0.550 50 20 BBGD C[C@@H](NC(=O)NNC(N)=S)C1CC1 43842776 VNDPJBUJIOOMGG-SCSAIBSYSA-N 202.283 -0.168 50 20 BBGD CCOCC(=O)NNC(=O)[C@@H]1CCCCO1 153536908 AADSRYOGTHEKCG-QMMMGPOBSA-N 230.264 -0.261 50 20 BBGD CNC(=O)NNC(=O)Cc1cn2ccccc2n1 193450991 JUZUMKDWVQSHIK-UHFFFAOYSA-N 247.258 -0.163 50 20 BBGD O=C(c1cccc(B(O)O)c1)N1CCC1 238649492 WTIPJSDKDPMURS-UHFFFAOYSA-N 205.022 -0.788 50 20 BBGD C[C@H](NC(N)=O)C(=O)NNC(=O)OC(C)(C)C 263653259 FHCSAMOBUZNSGV-YFKPBYRVSA-N 246.267 -0.401 50 20 BBGD CCOC(=O)NCC(=O)NN(C)CCOC 495814342 NWBCRRAIJPPKQV-UHFFFAOYSA-N 233.268 -0.658 50 20 BBGD CC(=O)NNC(=O)COc1cccnc1 728065571 QDUOHPCWANEQCC-UHFFFAOYSA-N 209.205 -0.372 50 20 BBGD C[C@@H]1CCCN(S(=O)(=O)NNC(=O)O)C1 736791202 CNTFLRWBBSFMTI-ZCFIWIBFSA-N 237.281 -0.265 50 20 BBGD COCC(=O)NN=Cc1cnc2cnccn12 761823128 BEIZVRSBPIUYKL-UHFFFAOYSA-N 233.231 -0.174 50 20 BBGD CC(C)C(=O)NNC(=O)C(C)(C)C(N)=O 767428392 FEKHOBVUQMFVMJ-UHFFFAOYSA-N 215.253 -0.699 50 20 BBGD CCC(=O)NNC(=O)[C@H](C)N1C[C@@H](O)[C@H](C)C1 768765758 GYLFEXNEXLMORT-HRDYMLBCSA-N 243.307 -0.755 50 20 BBGD CC(C)n1cc(C=NNC(=O)CO)cn1 776781420 CFRANVLLIRISJK-UHFFFAOYSA-N 210.237 -0.094 50 20 BBGD CC(=O)N[C@@H](C)C(=O)NNC(=O)CC1CC1 819144423 HVJGCTUFGJUBGB-LURJTMIESA-N 227.264 -0.542 50 20 BBGD C[C@H](O)CN(C)NC(=O)C1(O)CCCC1 821218282 XFOCEYUIVYJNFJ-QMMMGPOBSA-N 216.281 -0.365 50 20 BBGD COC[C@](C)(O)C(=O)NN[C@H](C)C(F)(F)F 862311694 RDBZDSNODZNIMT-VDTYLAMSSA-N 244.213 -0.045 50 20 BBGD Cc1cccc(NNC(=O)[C@H]2CC(=O)N2)n1 862519550 JTZMNHJOGONRIF-SSDOTTSWSA-N 220.232 -0.278 50 20 BBGD C[C@@H]1C[C@H]1C=NNC(=O)CS(C)(=O)=O 863187333 HSTPLVPZPSOGJO-RQJHMYQMSA-N 218.278 -0.211 50 20 BBGD CC[C@H](OC)C(=O)NNC(=O)C1CCOCC1 883062252 VUHZLYNIKJCQJE-VIFPVBQESA-N 244.291 -0.015 50 20 BBGD CCN(CCO)NC(=O)[C@H]1[C@H]2C(=O)CC[C@H]21 911443733 LGNTXBJXLFSDFS-SZEHBUNVSA-N 226.276 -0.443 50 20 BBGD O=C(NNC(=O)c1cccnn1)NC1CCC1 1330832505 RGGYHELNHFAMBG-UHFFFAOYSA-N 235.247 -0.027 50 20 BBGD Cc1cc(=O)c(C(=O)NN(C)[C@H](C)CO)c[nH]1 1332367003 OKHAIVAAZHVJQM-MRVPVSSYSA-N 239.275 -0.359 50 20 BBGD C[C@@H](C(=O)NNc1ccncn1)C1CNC1 1575071349 JVOBJDLRMAEINQ-SSDOTTSWSA-N 221.264 -0.225 50 20 BBGD CC(=O)NNC(=O)c1ccnc(-c2nn[nH]n2)c1 1588869940 MSDZMIJIHNGWON-UHFFFAOYSA-N 247.218 -0.957 50 20 BBGD C[C@H](CO)N(C)NC(=O)c1cc(C(=O)O)on1 1592762709 VSARMGGLGYLBGL-RXMQYKEDSA-N 243.219 -0.670 50 20 BBGD O=C(O)CCCCC(=O)NNc1nc[nH]n1 1595032739 PMSCBMXKCSBUKE-UHFFFAOYSA-N 227.224 -0.107 50 20 BBGD O=C(Cn1cccn1)NNC(=O)c1ccccn1 46862823 WHYCBQXWDOMGPQ-UHFFFAOYSA-N 245.242 -0.261 50 20 BBGD O=C(NNC(=O)[C@H]1CCCO1)c1ccc[nH]1 122608897 VYRXJJFMNKXIJX-MRVPVSSYSA-N 223.232 -0.045 50 20 BBGD COC(=O)N[C@H](C(=O)NN(C)C(N)=O)C(C)C 271357000 PCFBZAMHNCUHBH-LURJTMIESA-N 246.267 -0.591 50 20 BBGD CCCOCC(=O)NNC(=O)N(C)C 299393911 SNFJNRXFGSECKC-UHFFFAOYSA-N 203.242 -0.285 50 20 BBGD CNC(=O)NN=Cc1c(N)ncnc1OC 381536183 GUSZEXHOYIJBMC-UHFFFAOYSA-N 224.224 -0.670 50 20 BBGD Cn1ncc(C(=O)NNC(=O)C2CC2)c1N 381544786 KEVXWKYOADVHCC-UHFFFAOYSA-N 223.236 -0.827 50 20 BBGD Cc1c(NCc2ccc(B(O)O)o2)cnn1C 585033804 GJAPEBLQVVDFAX-UHFFFAOYSA-N 235.052 -0.387 50 20 BBGD CN(C)Cc1nc(-c2ccc(B(O)O)cc2)no1 585053817 HQKANGUUSABLJL-UHFFFAOYSA-N 247.063 -0.522 50 20 BBGD O=C(NCB(O)O)c1cc(-c2ccccn2)no1 585060174 BJYZXIPXZJDSDV-UHFFFAOYSA-N 247.019 -0.522 50 20 BBGD CN(C)CC(=O)NNC(=O)NC1CCCC1 727378089 VRNKNYAENMZCII-UHFFFAOYSA-N 228.296 -0.179 50 20 BBGD CC(C)NC(=O)NN=C1CCS(=O)(=O)C1 745009339 LFFAEJOOLJEIPJ-UHFFFAOYSA-N 233.293 -0.132 50 20 BBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)CCOC 772074440 HAMRSTGTJNMNSG-SSDOTTSWSA-N 246.263 -0.488 50 20 BBGD O=C1CC[C@H](C(=O)NNc2cccc(F)n2)N1 804766829 XBRJSEQRVBBEOD-ZCFIWIBFSA-N 238.222 -0.058 50 20 BBGD C#CCOCCC(=O)NN(CC)CCO 823869675 OCMWWCKKPHYAJV-UHFFFAOYSA-N 214.265 -0.628 50 20 BBGD C[C@@H](CO)N(C)NC(=O)[C@H](O)c1cccnc1 823923934 VOGOWLMGQKPPKP-WCBMZHEXSA-N 239.275 -0.541 50 20 BBGD C[C@@H](CO)N(C)NC(=O)C1(O)CCC1 823934412 GCSRSEBCJXWDJB-ZETCQYMHSA-N 202.254 -0.755 50 20 BBGD CCCN1C[C@H](C(=O)NNC(=O)NC)CC1=O 840282519 AWFOOHIZGMFVHS-SSDOTTSWSA-N 242.279 -0.795 50 20 BBGD C[C@H](O)CN(C)NC(=O)[C@]1(O)CCSC1 910155201 KWCXMSKUGIGVHP-CBAPKCEASA-N 234.321 -0.802 50 20 BBGD CNC(=O)NNC(=O)CCOC[C@@H]1CCCO1 919879399 BTWUTYHCJVVFHY-QMMMGPOBSA-N 245.279 -0.468 50 20 BBGD CC(C)(C)C(=O)NNS(=O)(=O)c1cn[nH]c1 919958349 BSAMLBCIFCYVRO-UHFFFAOYSA-N 246.292 -0.235 50 20 BBGD COC[C@@H](C)NC(=S)NNC(=O)NC1CC1 920759466 OZSBGPSFCQTQCC-ZCFIWIBFSA-N 246.336 -0.138 50 20 BBGD CN(NC(=O)c1cnn2cccnc12)C(N)=O 1319841635 PHUBIRXCEXCYOF-UHFFFAOYSA-N 234.219 -0.615 50 20 BBGD O=C1NCC[C@H]1C(=O)NNc1ncncc1F 1328703419 DKGNCWJZWMHYHR-RXMQYKEDSA-N 239.210 -0.805 50 20 BBGD CC[C@@H](C)[C@@H](NNC(=O)C(=O)OC)C(=O)OC 1353980025 BSNQQRZRDJCLPM-RNFRBKRXSA-N 246.263 -0.632 50 20 BBGD CN[C@@H](CC(C)C)C(=O)NNc1cnnn1C 1578754759 ZNYGWTGPVSPVNZ-QMMMGPOBSA-N 240.311 -0.108 50 20 BBGD CCCCC(=O)NNC(=O)C(=O)N1CCCC1 132228289 WDBUCQGCNQMQID-UHFFFAOYSA-N 241.291 -0.054 50 20 BBGD CNCC(=O)NNC(=O)c1ccccc1 192788492 VIIYLUUQUSEBRE-UHFFFAOYSA-N 207.233 -0.333 50 20 BBGD Cc1cc(CC(=O)NNC(=O)NC(C)C)n[nH]1 267979935 UTDFVHDGHRYRSO-UHFFFAOYSA-N 239.279 -0.001 50 20 BBGD CCO[C@H]1C[C@H]1C(=O)NNC(=O)NC 299094602 BCMOXXVVIFHYQO-RITPCOANSA-N 201.226 -0.628 50 20 BBGD CC(C)(O)C(=O)NNC(=O)[C@H]1C[C@]12CCOC2 377053087 RIFBEPSWPMMBKB-HQJQHLMTSA-N 242.275 -0.669 50 20 BBGD C[C@@H]1OCC[C@H]1C(=O)Nc1cccc(B(O)O)c1 405004186 PZBCPLAXLGMSLG-GZMMTYOYSA-N 249.075 -0.270 50 20 BBGD C[C@H](CCCO)NCc1ccccc1B(O)O 585028466 KWQBRIZZRPMXKP-SNVBAGLBSA-N 237.108 -0.383 50 20 BBGD CO[C@H](C)[C@H](C)NCc1ccc(B(O)O)cc1 585037233 UUVUQIHMFNDJFF-VHSXEESVSA-N 237.108 -0.121 50 20 BBGD C[C@@H](O)CCCNCc1ccc(B(O)O)o1 585038657 JGLPERAHXXHYJE-MRVPVSSYSA-N 227.069 -0.790 50 20 BBGD COCCOCC(=O)NNc1ncccn1 733129488 BQYZQKYWKXUMRH-UHFFFAOYSA-N 226.236 -0.417 50 20 BBGD NC(=O)c1ccc(NNC(=O)C2CCC2)nn1 757403246 ZFOUBNJQNCOTRZ-UHFFFAOYSA-N 235.247 -0.181 50 20 BBGD CNC(=O)NNC(=O)CC(C)(C)CC(=O)OC 765483282 NSLDJLDDTVFRQY-UHFFFAOYSA-N 245.279 -0.074 50 20 BBGD CC(=O)NNC(=O)c1cc(OC(F)F)n(C)n1 767250550 WPHGHDUNYRXPAW-UHFFFAOYSA-N 248.189 -0.198 50 20 BBGD CC(C)(O)C(=O)NNC(=O)c1cncnc1 768243004 CUXMKOHCNCFCKC-UHFFFAOYSA-N 224.220 -0.992 50 20 BBGD CC(C)C(=O)NNC(=O)[C@H]1CCC(=O)N1C 806338894 BBSNGWHQWXSPPZ-SSDOTTSWSA-N 227.264 -0.589 50 20 BBGD C[C@H](CO)N(C)NC(=O)[C@@H]1CCCCN1C 823935210 PCCRBUCDQFSJIE-ZJUUUORDSA-N 229.324 -0.186 50 20 BBGD C[C@@H](C(=O)NN(C)[C@H](C)CO)n1cccn1 823965150 JIDAAYZGCJDKGP-BDAKNGLRSA-N 226.280 -0.212 50 20 BBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)C1CSC1 869068703 VDWJVOSGHJRNEW-SVRRBLITSA-N 244.316 -0.078 50 20 BBGD COCCOCC(=O)NN=C1C[C@H](C)N(C)C1 872401703 FVZBBGIOULCOBK-VIFPVBQESA-N 243.307 -0.154 50 20 BBGD C#CCCCC(=O)NNC(=O)CC(=O)OC 887140866 VXCYNIOFRHFQJC-UHFFFAOYSA-N 226.232 -0.500 50 20 BBGD C#CCCCC(=O)NNC(=O)c1cn(C)cn1 887145551 IBXIDBBFDALTSU-UHFFFAOYSA-N 234.259 -0.015 50 20 BBGD C=C[C@@H](NNC(=O)C1CCOCC1)C(=O)OC 905817347 YWYCIAMHTCYTLQ-SECBINFHSA-N 242.275 -0.239 50 20 BBGD CC(C)[C@@H](C(=O)NN(C)C[C@@H](C)O)N(C)C 910166056 RKLJLEMMOFXDOQ-ZJUUUORDSA-N 231.340 -0.084 50 20 BBGD CCNC(=O)NNC(=O)c1c[nH]nc1CC 920858341 BIMZUWYJWVSNTQ-UHFFFAOYSA-N 225.252 -0.064 50 20 BBGD CC[C@H](F)C(=O)NNC(=O)Cc1cc[nH]n1 1262607466 BHGMTADLFIVATI-ZETCQYMHSA-N 228.227 -0.152 50 20 BBGD CNC(=O)NNC(=O)COCc1ccncc1 1324304889 AWLACRVYKMEJHF-UHFFFAOYSA-N 238.247 -0.442 50 20 BBGD CC(=O)NNC(=O)C1CCC(O)CC1 1339550683 XGKNJBURZNBQSA-UHFFFAOYSA-N 200.238 -0.295 50 20 BBGD CCNC(=O)NNC(=O)C[C@@H](N)C(F)F 1577793979 YKTBLGDWQKETDM-SCSAIBSYSA-N 224.211 -0.681 50 20 BBGD CCCNC(=O)NNC(=O)[C@@H]1CC[C@@H]1C(=O)O 1589677671 ZGRHYNKEUSNOOB-RQJHMYQMSA-N 243.263 -0.162 50 20 BBGD CO[C@@H](C)C(=O)NNC(=O)c1cccn1C 79308470 GRXCHQJKRUSZCL-ZETCQYMHSA-N 225.248 -0.179 50 20 BBGD COCCC(=O)NNc1nccc(OC)n1 171373521 HQZURJZECRYMRG-UHFFFAOYSA-N 226.236 -0.035 50 20 BBGD CN(C)CC(=O)NNC(=O)CCc1ccoc1 175542281 RXTTYBQFHYGIBU-UHFFFAOYSA-N 239.275 -0.079 50 20 BBGD CCOCCO[C@@H](C)C(=O)NNC(=O)OC 495448415 NWCHBTCMRHQWMU-ZETCQYMHSA-N 234.252 -0.185 50 20 BBGD CC(C)(C)c1cc(C(=O)NCB(O)O)no1 585060258 OZTFAFKBDFKAQQ-UHFFFAOYSA-N 226.041 -0.286 50 20 BBGD C[C@H](Oc1ccccc1F)C(=O)NCB(O)O 585060762 JKWZLZMCWXXASM-ZETCQYMHSA-N 241.027 -0.279 50 20 BBGD CS/C=C/C(=O)N1CC[C@H](B(O)O)C1 585067497 SVPIFHWWJMULHO-MZTFZBDOSA-N 215.083 -0.062 50 20 BBGD CN(C)C(=O)NNC(=O)[C@@H]1C[C@H]1C(=O)O 737349499 FJFYXEZCNQCSBM-RFZPGFLSSA-N 215.209 -0.991 50 20 BBGD CCNC(=O)N(C)NC(=O)[C@@H]1CCCO1 770548838 KAOICODWQLXTFH-ZETCQYMHSA-N 215.253 -0.142 50 20 BBGD C[C@@H](C(=O)NNC(=O)CO)c1ccsc1 777781135 HZJZOYDYLUWEMQ-ZCFIWIBFSA-N 228.273 -0.009 50 20 BBGD CCn1cc(C(=O)NN(C)[C@H](C)CO)nn1 823384794 UWFGASZMCCRLLR-SSDOTTSWSA-N 227.268 -0.745 50 20 BBGD CN(NC(=O)[C@H]1CCCS1(=O)=O)C1CC1 848230100 RUWZRLCFZZIGCD-MRVPVSSYSA-N 232.305 -0.311 50 20 BBGD CNC[C@@H](C)NC(=O)NNC(=O)C(C)(C)C 851681433 NZUPEPLGIMLZEQ-SSDOTTSWSA-N 230.312 -0.029 50 20 BBGD CC(C)(C)CC(=O)NNC(=O)[C@H]1CCNC1=O 857115331 FVQTUCVOABRZCZ-ZETCQYMHSA-N 241.291 -0.294 50 20 BBGD CC[C@H](C)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862450773 ASKFZDWJTSUCNA-BQBZGAKWSA-N 227.264 -0.542 50 20 BBGD O=C(NN=C1CC(C(=O)O)C1)c1cn[nH]c1 863153760 BFRQCQYLCIJEOS-UHFFFAOYSA-N 222.204 -0.010 50 20 BBGD COCCOc1cncc(C(=O)NN)c1 876788560 DDWSXBCALXVWKB-UHFFFAOYSA-N 211.221 -0.290 50 20 BBGD CO[C@H](C(=O)NN(C)C[C@@H](C)O)C1CC1 910150694 VUYIUMBHMBIQGJ-APPZFPTMSA-N 216.281 -0.245 50 20 BBGD C[C@@H](O)CN(C)NC(=O)c1ccnnc1 910166221 OUPXDPBDXKYYPW-SSDOTTSWSA-N 210.237 -0.566 50 20 BBGD Cc1nc(C)c(C(=O)NNC(=O)CO)o1 1116487844 XHVNTVNDMYUDOP-UHFFFAOYSA-N 213.193 -0.955 50 20 BBGD N#CCNC(=O)CN1CC=C(C#N)CC1 1320044208 YGZUTDDKNFAVDD-UHFFFAOYSA-N 204.233 -0.218 50 20 BBGD CCC[C@H](C)NC(=O)NNC(=O)C(=O)OC 1322254356 RUHCLFLBOCEBLV-LURJTMIESA-N 231.252 -0.322 50 20 BBGD CN(NC(=O)c1ccc(C(N)=O)nc1)C1CC1 1331968793 DQVYSJRIZGECHQ-UHFFFAOYSA-N 234.259 -0.081 50 20 BBGD NC(=O)[C@@H]1CC[C@H]1C(=O)NNC(=O)C1CC1 1332860532 BXGMAKUWPOPXDP-RNFRBKRXSA-N 225.248 -0.945 50 20 BBGD CC[C@@H](NCc1ccc(B(O)O)cc1)C(=O)O 1593607539 IOFYQVZZJZVDRP-SNVBAGLBSA-N 237.064 -0.681 50 20 BBGD CNC(=O)NNC(=O)C(C)(C)C(=O)O 1593793250 NHHFMCJANDWVMG-UHFFFAOYSA-N 203.198 -0.943 50 20 BBGD CO[C@H](C(=O)O)C(=O)NNc1ncccc1F 1593911045 GMOYWGRKGQUBAE-LURJTMIESA-N 243.194 -0.237 50 20 BBGD CCO/C=C(\C#N)C(=O)NCC(C)(CO)CO 491007027 FEMVVFAXBVLLDY-WEVVVXLNSA-N 242.275 -0.463 50 20 BBGD CCOC(=O)NNC(=O)c1cc([N+](=O)[O-])n[nH]1 496353702 ANVAOAWLPNFGSQ-UHFFFAOYSA-N 243.179 -0.291 50 20 BBGD OB(O)c1ccccc1CNC[C@H]1CCOC1 585018323 UVEQIUROCACUQR-SNVBAGLBSA-N 235.092 -0.508 50 20 BBGD C[C@H](NCc1cccc(B(O)O)c1)[C@@H]1CCOC1 585026207 DCXHKVKTFDOKGB-CMPLNLGQSA-N 249.119 -0.119 50 20 BBGD C[C@@H](CCO)CNCc1ccccc1B(O)O 585026649 JDZLDVBNBMJNJA-JTQLQIEISA-N 237.108 -0.526 50 20 BBGD CO[C@@H](C)[C@@H](C)NCc1cccc(B(O)O)c1 585042089 ZJZMBOBIJKYKNB-ZJUUUORDSA-N 237.108 -0.121 50 20 BBGD CC1(C)SC[C@@H]1NCc1ccc(B(O)O)o1 585042795 UUBQGQDCPHBHIN-QMMMGPOBSA-N 241.121 -0.057 50 20 BBGD O=C(NNC(=O)[C@@H]1CCOC1)C1CCC1 732143151 UGUAXCZVNDVTPA-MRVPVSSYSA-N 212.249 -0.030 50 20 BBGD CC(C)C(=O)NNC(=O)[C@@H]1C[C@@H]1C(=O)O 736347686 WSJJKPRVOUSCFS-RITPCOANSA-N 214.221 -0.490 50 20 BBGD CC(=NNC(=O)C(=O)NC1CC1)[C@H]1CCOC1 741759374 MMYGPXUOIQONEL-QMMMGPOBSA-N 239.275 -0.206 50 20 BBGD Cn1cc(C(=O)NNC(=O)C(F)F)cn1 753670681 ULFHLCJJVLDKRU-UHFFFAOYSA-N 218.163 -0.554 50 20 BBGD CCNC(=O)N(C)NS(=O)(=O)N1CCC1 795931988 MLWHRPSPWHSNMK-UHFFFAOYSA-N 236.297 -0.897 50 20 BBGD Cn1nnc(CN2CC=C(C#N)CC2)n1 799311360 SVSGMQIMENZYJT-UHFFFAOYSA-N 204.237 -0.134 50 20 BBGD C[C@@H](CO)N(C)NC(=O)c1cccc(=O)n1C 823939851 QJHHBXUYCSUDLJ-QMMMGPOBSA-N 239.275 -0.657 50 20 BBGD CC[C@@H](C)C(=O)NNC(=O)CS(C)(=O)=O 863459477 TXMQQXVRAFVWOP-ZCFIWIBFSA-N 236.293 -0.776 50 20 BBGD CCCNC(=O)NNC(=O)CN1CCCC1 874213931 KLFCPNFNASLDTK-UHFFFAOYSA-N 228.296 -0.177 50 20 BBGD C[C@@H](C(=O)NNC(=O)N(C)C)c1cnn(C)c1 1116208489 VNEYAJJNYLMFQX-SSDOTTSWSA-N 239.279 -0.174 50 20 BBGD COC(=O)C(=O)NNC(=O)N[C@H](C)CC(C)C 1253535534 HPTOXNDZWMINAL-SSDOTTSWSA-N 245.279 -0.076 50 20 BBGD CONC(=O)NNC(=O)Cc1cccnc1 1318320972 QPIXJQAQASSDMI-UHFFFAOYSA-N 224.220 -0.484 50 20 BBGD CN(NC(=O)c1cnc(S)[nH]1)C(N)=O 1321717359 VELPXYWBWAGKPF-UHFFFAOYSA-N 215.238 -0.646 50 20 BBGD O=C(CO)NNC(=O)C1CCN(C2CC2)CC1 1325268992 QKOIDPSBFYWUJL-UHFFFAOYSA-N 241.291 -1.000 50 20 BBGD C[C@@H](NNC(=O)C(=O)NC1CC1)C(F)(F)F 1329522817 UKFIDJXUQHKMKO-SCSAIBSYSA-N 239.197 -0.163 50 20 BBGD C[C@H](CO)N(C)NC(=O)C1CCN(C)CC1 1332591017 QQIOBKCAWXGYFM-SECBINFHSA-N 229.324 -0.328 50 20 BBGD CO[C@@H](C)CCC(=O)N1CC[C@@H](B(O)O)C1 1348490875 WCUKSWQUQCFADI-DTWKUNHWSA-N 229.085 -0.123 50 20 BBGD O=C(O)[C@H](NS(=O)(=O)CCl)C1CC1 1608552708 MDTALNXBUUMDMP-RXMQYKEDSA-N 227.669 -0.035 50 20 BBGD CC(C)(C)OC(=O)NNC(=O)C(=O)NC1CC1 265311065 SZRGBPDMGHDVBX-UHFFFAOYSA-N 243.263 -0.179 50 20 BBGD COC(=O)NCC(=O)NN(C)C(=O)OC 286286700 IZRPSRVMEARROJ-UHFFFAOYSA-N 219.197 -0.928 50 20 BBGD COC(=O)NNC(=O)COC[C@@H]1CCCO1 495448493 PCAWOYPJHQLLKN-ZETCQYMHSA-N 232.236 -0.431 50 20 BBGD C=C[C@@H]1OCC[C@H]1NCc1ccc(B(O)O)o1 585043620 PKGWSEBQOBDGKK-ZJUUUORDSA-N 237.064 -0.608 50 20 BBGD O=C(CSc1ccc(O)cc1)NCB(O)O 585060686 WRLKAZMSJGVBEU-UHFFFAOYSA-N 241.077 -0.388 50 20 BBGD COCCN(C)CC(=O)NNC(=O)C(C)(C)C 744389360 FCOSJQBWUULJJH-UHFFFAOYSA-N 245.323 -0.242 50 20 BBGD N#CCc1ccc(NC(=O)NNC(=O)CO)cc1 755532406 FSFKPGRHAFNUJK-UHFFFAOYSA-N 248.242 -0.102 50 20 BBGD CCONC(=O)NNC(=O)[C@@H](C)OCCOC 776210050 BSZYNNLJDGGAPL-SSDOTTSWSA-N 249.267 -0.680 50 20 BBGD O=C1CC[C@@H](C(=O)NNc2cccc(F)n2)N1 804766827 XBRJSEQRVBBEOD-LURJTMIESA-N 238.222 -0.058 50 20 BBGD CN1CC[C@@H](C(=O)NN(C)C2CC2)CC1=O 819645763 RZTAKBRMLCHNJR-MRVPVSSYSA-N 225.292 -0.020 50 20 BBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)N1CC(F)C1 827260934 YAAXHBFBEAXHFU-SVRRBLITSA-N 245.254 -0.194 50 20 BBGD CC1=NO[C@H](C(=O)NNC(=O)C(C)C)C1 854213762 BOPZZCLZMRULRB-ZETCQYMHSA-N 213.237 -0.045 50 20 BBGD CCO[C@@H]1C[C@@H]1C(=O)NN(C)C(=S)NC 854925403 FQMGAPWLBIZNKP-NKWVEPMBSA-N 231.321 -0.121 50 20 BBGD CO[C@H](C)C(=O)NNC(=O)c1cccnn1 882058722 KCNVLMQKBICCOS-ZCFIWIBFSA-N 224.220 -0.728 50 20 BBGD CC(C)NC(=O)C(=O)NN=C1COC[C@@H]1C 884406608 ZORBIHLCDLTBQQ-ZETCQYMHSA-N 227.264 -0.351 50 20 BBGD COC(=O)N(C)NC(=O)NC[C@@H]1COCO1 923840905 MWAIGWVGEWPLSD-ZCFIWIBFSA-N 233.224 -0.728 50 20 BBGD C#CCNC(=S)NNC(=O)c1cc(C)[nH]n1 1116391489 DPVGIJMAOPBFQU-UHFFFAOYSA-N 237.288 -0.540 50 20 BBGD O=C(c1ccncc1)N1CC[C@H](B(O)O)C1 1118916796 VVYVUMDFKCTLBC-VIFPVBQESA-N 220.037 -0.230 50 20 BBGD O=C(NNC(=S)NC1CC1)c1cccnn1 1119617925 SBVNUWKJCAEEBL-UHFFFAOYSA-N 237.288 -0.252 50 20 BBGD CC(=O)NNS(=O)(=O)c1c[nH]nc1C 1320398679 VKEFPSMHYZWTBF-UHFFFAOYSA-N 218.238 -0.952 50 20 BBGD Cn1nncc1NNC(=O)[C@H]1[C@H]2C(=O)CC[C@H]21 1333840234 FJVLAXVMWMTTPZ-JISRMSBWSA-N 235.247 -0.517 50 20 BBGD O=C(CO)NNC(=O)c1ccc(F)cc1 11638905 ZQHGBINKTUMFSW-UHFFFAOYSA-N 212.180 -0.421 50 20 BBGD CSC[C@@H](C)C(=O)NNC(=O)CO 180965739 WNILRYVLOQXSMV-RXMQYKEDSA-N 206.267 -0.875 50 20 BBGD OB(O)c1ccc(N2CCOCC2)s1 238644864 OWOYQCNCUCRNPI-UHFFFAOYSA-N 213.067 -0.736 50 20 BBGD COC[C@@H](C)NC(=S)NNC(C)=O 308265242 OYGPHMNWWYPIKL-RXMQYKEDSA-N 205.283 -0.464 50 20 BBGD Cc1nncn1CCNC(=O)CCl 308386116 UOYOHZCDLWYNJQ-UHFFFAOYSA-N 202.645 -0.058 50 20 BBGD C#CCN(C)[C@@H](C)C(=O)NNC(=O)CC 491304101 DAYCJFKGOSNNLK-QMMMGPOBSA-N 211.265 -0.503 50 20 BBGD CO[C@H](C)CNC(=O)c1cccc(B(O)O)c1 584979355 RNYZLDSBLJKJFK-MRVPVSSYSA-N 237.064 -0.869 50 20 BBGD CC[C@H](NCc1ccc(B(O)O)o1)C(C)(C)O 585043934 XFNYSLIXEBQJKT-VIFPVBQESA-N 241.096 -0.402 50 20 BBGD C[C@@H]1C[C@@H](NCc2ccc(B(O)O)o2)CS1 585045535 CIIRPHFKIWEDJZ-HTQZYQBOSA-N 241.121 -0.057 50 20 BBGD C#Cc1ccc(C(=O)NNC(=O)CN(C)C)nc1 733359298 COXCKXKFMIALMV-UHFFFAOYSA-N 246.270 -0.615 50 20 BBGD Cc1cccnc1C(=O)NNC(=O)CO 753445475 JUKJLCVUUGYJLA-UHFFFAOYSA-N 209.205 -0.857 50 20 BBGD Cn1cncc1C=NNC(=O)C(C)(C)O 785460853 NHFMBNFCQPAUIP-UHFFFAOYSA-N 210.237 -0.359 50 20 BBGD O=C(NNc1ncncc1F)[C@@H]1COCCO1 817081579 AARUNKJLMQZEKM-ZETCQYMHSA-N 242.210 -0.526 50 20 BBGD CN(NC(=O)CCn1ncn(C)c1=O)C1CC1 819653224 KOJRRYNMLUIDFU-UHFFFAOYSA-N 239.279 -0.903 50 20 BBGD COc1cc(C(=O)NN(C)C[C@@H](C)O)ncn1 822558856 YGHZMGCDZMBUOH-SSDOTTSWSA-N 240.263 -0.557 50 20 BBGD C[C@@H](O)CN(C)NC(=O)/C=C/c1cn(C)cn1 822563692 PHNXAKWJKDFSEP-XNPJLODASA-N 238.291 -0.223 50 20 BBGD C[C@H]1CC=C(C(=O)NNC(=O)CO)CC1 839722440 ZZUGAQIULHBAIX-ZETCQYMHSA-N 212.249 -0.128 50 20 BBGD O=C(NNC(=O)[C@H]1CCNC1=O)c1ccccc1 854138163 DQFZKNIXOXEUHC-VIFPVBQESA-N 247.254 -0.416 50 20 BBGD CC(C)C#CC(=O)NNC(=O)C(=O)NC(C)C 854291091 OVQFBAXXRLJEAX-UHFFFAOYSA-N 239.275 -0.682 50 20 BBGD COC[C@H](C)NCc1ccc(B(O)O)cc1 863890451 VFTLNTLESUVJBJ-VIFPVBQESA-N 223.081 -0.509 50 20 BBGD O=S(=O)(c1ccoc1)N1CC[C@H](B(O)O)C1 864231615 IPZXXHLSVMQCIJ-ZETCQYMHSA-N 245.065 -0.483 50 20 BBGD CCO[C@H](C)C(=O)NNC(=O)COCCOC 869910550 JWTPZWCDJXPNEK-MRVPVSSYSA-N 248.279 -0.778 50 20 BBGD CCNC(=O)N(C)NC(=O)[C@H](N)CC1CC1 884314059 XXGFAAJIDQYXML-MRVPVSSYSA-N 228.296 -0.194 50 20 BBGD CCN(CC)CC(=O)NN(C)C[C@@H](C)O 910162709 IGSCMGMMRAVYOH-SECBINFHSA-N 217.313 -0.328 50 20 BBGD C[C@@H]1C[C@H]1C(=O)NNC(=O)CN1CCCC1=O 913732200 MBASHOFNPSLYMQ-HTQZYQBOSA-N 239.275 -0.588 50 20 BBGD CC[C@@H](C)C(=O)NNC(=O)CN1CCCC1=O 920435411 HLIYTGBMLSJMDC-MRVPVSSYSA-N 241.291 -0.198 50 20 BBGD C[C@@H](CO)N(C)NC(=O)CCc1cnn[nH]1 1329806282 JHQYTVRXNPLFLT-ZETCQYMHSA-N 227.268 -0.919 50 20 BBGD CN(NC(=O)CCc1cnn[nH]1)C1CC1 1332136867 RZZKWEVVRRGRGN-UHFFFAOYSA-N 209.253 -0.137 50 20 BBGD Cc1c(C(=O)NN(C)[C@@H](C)CO)nnn1C 1332470187 PFACQYIBEWONFI-LURJTMIESA-N 227.268 -0.919 50 20 BBGD C[C@H](O)CN(C)NC(=O)CCc1ccncn1 1334202540 NJFQSBMHCPJWSU-VIFPVBQESA-N 238.291 -0.247 50 20 BBGD O=C(NNC(=O)c1ncccn1)NC1CC1 1345091812 SDPFEPINTFVNBN-UHFFFAOYSA-N 221.220 -0.417 50 20 BBGD CS[C@H](C)C(=O)NNC(=O)C(=O)NC(C)C 42850843 CHJBVPVKATYNGW-ZCFIWIBFSA-N 247.320 -0.590 50 20 BBGD CCNC(=O)N(C)NC(=O)CNC(=O)OC 272701375 UOILADBJYPGZEN-UHFFFAOYSA-N 232.240 -0.965 50 20 BBGD CCC(=O)NN=C(C)CS(C)(=O)=O 379396802 CZLGPQLQUXYCGG-UHFFFAOYSA-N 206.267 -0.067 50 20 BBGD CNc1ccc(C(=O)NNC(=O)OC)cn1 390557332 QVLOLKZBKORNMP-UHFFFAOYSA-N 224.220 0.124 50 20 BBGD C#CCNC(=O)NNC(=O)c1cccc(C)n1 490717521 DGVAZQKNSSILNB-UHFFFAOYSA-N 232.243 -0.033 50 20 BBGD C#C[C@H](C)N(C)CC(=O)NNC(=O)C1CC1 491710974 UHBIVQQUDKEVBG-QMMMGPOBSA-N 223.276 -0.503 50 20 BBGD OB(O)c1ccc(CNC[C@@H]2CC[C@H](O)C2)cc1 585037615 DPPSTAOVVQNLPZ-YPMHNXCESA-N 249.119 -0.383 50 20 BBGD O=C(CSc1ccccc1)NCB(O)O 585055870 GAGRRZVCKCFCAD-UHFFFAOYSA-N 225.078 -0.093 50 20 BBGD CCCNC(=O)NNC(=O)[C@@H]1C[C@@H]1C(=O)OC 727375869 OLPWPBNAFKFKJC-RQJHMYQMSA-N 243.263 -0.464 50 20 BBGD Cc1cc(NC(=O)NNC(=O)CO)nnc1C 756584445 SQFYNQFFJSETIN-UHFFFAOYSA-N 239.235 -0.762 50 20 BBGD COC[C@H](C)CC(=O)NNC(=O)C(C)(C)O 768245727 UTLOCMNBXZXRPG-SSDOTTSWSA-N 232.280 -0.423 50 20 BBGD C[C@@H]1OCC[C@H]1C(=O)NNc1nc[nH]n1 816633832 OIHQQVGJWZNQQJ-NTSWFWBYSA-N 211.225 -0.327 50 20 BBGD CCN(CCO)NC(=O)[C@@H]1CCO[C@H]1C 823869153 BCWZEPAXVDNKDE-DTWKUNHWSA-N 216.281 -0.243 50 20 BBGD C=C[C@](C)(O)C(=O)NN(CC)CCO 823889443 WUFGECFERIWSIL-VIFPVBQESA-N 202.254 -0.731 50 20 BBGD CCNC(=O)N(C)NC(=O)C(C)(C)N 831944536 BQKLPGUAAXVIFS-UHFFFAOYSA-N 202.258 -0.584 50 20 BBGD O=C1CC[C@@H](C(=O)NN=C2CC(C(=O)O)C2)N1 863150299 RCOANHWMEGTELI-MSZQBOFLSA-N 239.231 -0.768 50 20 BBGD O=C(NOCC1CCC1)c1ccc(B(O)O)cc1 863886235 YHFMJPMYJFGBCA-UHFFFAOYSA-N 249.075 -0.172 50 20 BBGD CC(C)NC(=O)NNC(=O)[C@@]1(C)CCNC1=O 874247740 YJHMQKKDGBOSEM-JTQLQIEISA-N 242.279 -0.749 50 20 BBGD NC1(CNS(=O)(=O)CBr)CC1 903524062 CGWCPQYDVNCZDV-UHFFFAOYSA-N 243.126 -0.251 50 20 BBGD CO[C@@H](C)C(=O)NNc1ccc(C(N)=O)nn1 1116252539 FTIZZTCUIVDTKI-YFKPBYRVSA-N 239.235 -0.947 50 20 BBGD CCNC(=O)NNC(=O)CCCC(=O)NC 1116702252 BMWJOUXQRINNBH-UHFFFAOYSA-N 230.268 -0.747 50 20 BBGD CCn1cc(C=NNC(=O)C(=O)OC)cn1 1318911350 HWKDFYXNIPMRLD-UHFFFAOYSA-N 224.220 -0.474 50 20 BBGD CNC(=O)NNC(=O)[C@@H]1CCO[C@H](C)C1 1324946690 WYSXLIQQDQFCDP-RNFRBKRXSA-N 215.253 -0.238 50 20 BBGD O=C(C[C@H]1CC(=O)N1)NNc1ccccn1 1334375098 YFPDGZSOXNZVKA-SSDOTTSWSA-N 220.232 -0.197 50 20 BBGD C=C/C=C/CCNC(=O)NNC(=O)C(=O)O 1588720812 IMLXCVZBGXFJDK-ONEGZZNKSA-N 227.220 -0.466 50 20 BBGD O=C(O)c1ccnc(C(=O)NNC(=O)C2CC2)c1 1608951617 FSZYPMVKPDJNOD-UHFFFAOYSA-N 249.226 -0.049 50 20 BBGD C[C@H](Oc1cccnc1)C(=O)NN(C)C(N)=O 182659109 BVXRUDBERBHFHF-ZETCQYMHSA-N 238.247 -0.109 50 20 BBGD Cc1nonc1C(=O)NNC(=O)C1CC1 265430133 VDMWKNROVNXBCN-UHFFFAOYSA-N 210.193 -0.451 50 20 BBGD COC(=O)NNC(=O)[C@H](C)NC(=O)OC 495327247 WWAHERJDOBMITK-BYPYZUCNSA-N 219.197 -0.882 50 20 BBGD CC1(C#N)CN(C(=O)c2ccc(B(O)O)cc2)C1 584982282 FATPZNPQDXTCTL-UHFFFAOYSA-N 244.059 -0.648 50 20 BBGD Cn1cncc1CNCc1ccccc1B(O)O 585041430 PALIGTKZIFZAET-UHFFFAOYSA-N 245.091 -0.610 50 20 BBGD CNC(=O)NNC(=O)[C@@H]1CCCOC1 727733044 ZDMNCKGOQUXDRN-ZCFIWIBFSA-N 201.226 -0.627 50 20 BBGD Cc1n[nH]cc1C(=O)NNC(=O)c1cocn1 732082586 JCSBPADOPZMSTB-UHFFFAOYSA-N 235.203 -0.219 50 20 BBGD CC(C)C(=O)NNS(=O)(=O)N(C)C(C)C 747596912 RXHNNLOCMKNVDT-UHFFFAOYSA-N 237.325 -0.152 50 20 BBGD O=C(O)Cn1cc(C=NNC(=O)C(F)F)nn1 782234694 FPFIMJNBOUJTMT-UHFFFAOYSA-N 247.161 -0.922 50 20 BBGD CCO/C=C(\C#N)C(=O)NCCn1ccnn1 782828342 QHMVFIJJILSMKU-CMDGGOBGSA-N 235.247 -0.162 50 20 BBGD Cn1ncc(C(=O)NNC(=O)c2ccncc2)n1 785671889 ZOAAXMAWAVUNTF-UHFFFAOYSA-N 246.230 -0.715 50 20 BBGD C[C@H](O)C(=O)NNC(=O)N=c1cc[nH]cc1 802033300 SCCOFIFRZNMZFE-LURJTMIESA-N 224.220 -0.963 50 20 BBGD CN(C)C(=O)NNC(=O)[C@@](C)(O)C1CCC1 813428318 WHTZZAPZAPABIF-JTQLQIEISA-N 229.280 -0.160 50 20 BBGD C[C@H](CO)N(C)NC(=O)C[C@@H]1CCC(=O)N1C 823918666 ZOPDBQBLHVUPQU-BDAKNGLRSA-N 243.307 -0.659 50 20 BBGD CCO[C@@H](C)C(=O)NN(C)[C@H](C)CO 823971129 PFURGILRONBQBU-SFYZADRCSA-N 204.270 -0.245 50 20 BBGD CC(C)C#CC(=O)NNC(=O)[C@@H]1CCC(=O)N1 862462173 VETJQYJKBXICGS-QMMMGPOBSA-N 237.259 -0.928 50 20 BBGD CC(C)[C@@](C)(O)C(=O)NNC(=O)c1cn[nH]c1 862470148 ASARRIINBLRFNM-SNVBAGLBSA-N 240.263 -0.422 50 20 BBGD C[C@H]1C[C@@H]1C=NNC(=O)CS(C)(=O)=O 863187331 HSTPLVPZPSOGJO-NKWVEPMBSA-N 218.278 -0.211 50 20 BBGD Cn1nccc1COc1ccc(B(O)O)cc1 864048161 BLYHKWQOMYGCKD-UHFFFAOYSA-N 232.048 -0.321 50 20 BBGD COC/C=C/C(=O)NNC(=O)[C@H]1CCCCO1 868619153 INXLSRSCHAHLRI-OTQAPUNGSA-N 242.275 -0.095 50 20 BBGD COC(OC)C(=O)NNC(=O)CC(C)C 873927020 SBTSEIRTAJNLFL-UHFFFAOYSA-N 218.253 -0.201 50 20 BBGD C[C@H](C(=O)NNC(=O)NCC1CC1)N(C)C 874194395 LXABDODASFGQFQ-SSDOTTSWSA-N 228.296 -0.323 50 20 BBGD CCO/C=C(\C#N)C(=O)Nc1nnc2nc[nH]n12 1347757997 LETKUFYSJYGTLH-GQCTYLIASA-N 247.218 -0.165 50 20 BBGD Cn1nncc1NNC(=O)[C@@H]1CC[C@H]1C(=O)O 1605576993 RZPUOCYHDZNGRE-PHDIDXHHSA-N 239.235 -0.631 50 20 BBGD CO[C@@H](C)CC(=O)NNC(=O)c1cnn(C)c1 117681072 LDMOWHDCHDVEQA-ZETCQYMHSA-N 240.263 -0.394 50 20 BBGD COC(=O)N[C@@H](C)C(=O)NNc1cnccn1 494124397 PBMCRQNJMKKSLA-LURJTMIESA-N 239.235 -0.336 50 20 BBGD CN(C(=O)c1cc(B(O)O)ccc1F)C1CC1 584935652 SZQSSWJTGNIWGV-UHFFFAOYSA-N 237.039 -0.260 50 20 BBGD O=C(O)NN=C1CCCS(=O)(=O)C1 738659022 PNBLABNWOMNVKU-UHFFFAOYSA-N 206.223 -0.181 50 20 BBGD CO[C@@H](C)C(=O)NNC(=O)N1CCOCC1 745996454 YGISBFYPFHSYTC-ZETCQYMHSA-N 231.252 -0.906 50 20 BBGD O=C(NNC(=O)[C@H]1CCOC1)c1cn[nH]c1 754345289 YIHIALFEEZMDOK-LURJTMIESA-N 224.220 -0.793 50 20 BBGD COC(=O)CNC(=O)NN=Cc1cc[nH]n1 779821046 LMHNSJRKSFPZCA-UHFFFAOYSA-N 225.208 -0.784 50 20 BBGD COC[C@@H](C)[C@@H](C)C(=O)NNC(=O)CO 812543467 HMICMKQOXRRXRY-RNFRBKRXSA-N 218.253 -0.955 50 20 BBGD NC(=O)C(=O)NN=Cc1cccc(C(=O)O)c1 814695636 KZQDKXHVUBPPIB-UHFFFAOYSA-N 235.199 -0.680 50 20 BBGD CCn1nccc1C(=O)NN(C)[C@H](C)CO 823936089 ZPIRUYFXBPDXFM-MRVPVSSYSA-N 226.280 -0.140 50 20 BBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)C1=COCC1 843976212 WEPNCTMEVUCGII-VXNVDRBHSA-N 240.259 -0.137 50 20 BBGD CNC[C@@H](C)NC(=O)NNC(=O)C1CCC1 851680668 KEACUYWNCKBDQA-SSDOTTSWSA-N 228.296 -0.275 50 20 BBGD CCOC(C)(OCC)C(=O)NNC(=O)CC#N 854386871 WALOQQFOLWJKDX-UHFFFAOYSA-N 243.263 -0.163 50 20 BBGD CNC(=S)N(C)NC(=O)c1cn[nH]c1 854925966 QYFZOSTUAJJLIJ-UHFFFAOYSA-N 213.266 -0.509 50 20 BBGD COC(=O)NNC(=O)[C@@H]1[C@H]2CCC(=O)[C@@H]21 891772401 NATCDYZGGWDDON-UBKIQSJTSA-N 212.205 -0.401 50 20 BBGD CCn1ncc(/C=C(\C#N)C(=O)NC)n1 901435971 LSKOFKKBSLENRM-QPJJXVBHSA-N 205.221 -0.049 50 20 BBGD Cn1cc(/C=C\C(=O)N2CC[C@H](B(O)O)C2)cn1 1118916748 UHRWSSWJLQXNMP-ZMWSMAPVSA-N 249.079 -0.491 50 20 BBGD CCCNC(=S)NNC(=O)c1cccnn1 1119559073 FWXAFGDZSIWUHW-UHFFFAOYSA-N 239.304 -0.005 50 20 BBGD N#CC1=CCN(CCN2C(=O)CNC2=O)CC1 1320756678 HDKKEMIIJPHPMX-UHFFFAOYSA-N 234.259 -0.306 50 20 BBGD CC(=O)NNC(=O)[C@@H](C)[C@@H](C)S(C)(=O)=O 1321170516 QVJICMRFWAMIJJ-NTSWFWBYSA-N 236.293 -0.777 50 20 BBGD Cc1ncc(C(=O)N2CC[C@@H](B(O)O)C2)[nH]1 1329673333 WVCFFINADWSZDB-SSDOTTSWSA-N 223.041 -0.593 50 20 BBGD C[C@@H](CO)N(C)NC(=O)[C@H](C)n1cncn1 1330261206 KZFTWSSYFXWJOE-YUMQZZPRSA-N 227.268 -0.817 50 20 BBGD COC(=O)C(=O)NNC(=O)NC1CCCC1 1330488062 GYZRAMXFRGIFAA-UHFFFAOYSA-N 229.236 -0.568 50 20 BBGD CC[C@@H](C(=O)NNc1cnnn1C)[C@@H](C)O 1331393676 QSAAWPVONAMGBB-RNFRBKRXSA-N 227.268 -0.335 50 20 BBGD NC(=O)NNc1ccc(-n2ccnc2)nn1 1340932704 NIEIKQRRRZTFOE-UHFFFAOYSA-N 219.208 -0.343 50 20 BBGD C[C@H](C(=O)O)C(=O)NNC(=O)c1ccc[nH]1 1588573954 PAMXRTYQWAUIBY-YFKPBYRVSA-N 225.204 -0.504 50 20 BBGD CC[C@@H](C(=O)NNC(=O)OC)N(C)C 158795743 DCLWWOKQWKKVML-LURJTMIESA-N 203.242 -0.286 50 20 BBGD COC(=O)N(C)NC(=O)[C@@H](C)NC(C)=O 496744100 WZFDDTCMSUHYRI-RXMQYKEDSA-N 217.225 -0.760 50 20 BBGD COCC1(C(=O)NCB(O)O)CCCCC1 585063378 YRCCHZRFDIPSKY-UHFFFAOYSA-N 229.085 -0.289 50 20 BBGD CC1(CC(=O)NNC(=O)C(=O)NC2CC2)CC1 757840080 RUQGVOBIWOMWDC-UHFFFAOYSA-N 239.275 -0.397 50 20 BBGD COc1nccnc1NNC(=O)c1ccnn1C 764470793 LSHQDXKNYQCTAO-UHFFFAOYSA-N 248.246 -0.024 50 20 BBGD CN(NC(=O)C1(O)CCSCC1)C(N)=O 778418724 SCIYWAAMSMCAPX-UHFFFAOYSA-N 233.293 -0.714 50 20 BBGD CN(NC(=O)[C@]1(C)CCCOC1)C(N)=O 781352762 GZSIZPNQIWRGIH-SECBINFHSA-N 215.253 -0.155 50 20 BBGD C[C@H](CO)N(C)NC(=O)CCN1CCCC1=O 823959132 BQMOBSOZBLJZQE-SECBINFHSA-N 243.307 -0.657 50 20 BBGD CCC(=O)NNC(=O)[C@@H](C)N1CC[C@H](F)C1 830479896 LFRKSKKOZNSDDO-SFYZADRCSA-N 231.271 -0.024 50 20 BBGD CN(C)CC(=O)NNC(=O)[C@]1(C)CCCCO1 839640425 QFLIAKFGJXJWHJ-NSHDSACASA-N 243.307 -0.345 50 20 BBGD CN(CCCN)S(=O)(=O)CBr 850585296 XUGAAUZSYNIHEJ-UHFFFAOYSA-N 245.142 -0.051 50 20 BBGD CCNC(=O)N(C)NC(=O)[C@@H]1CCOC(=O)N1 860667804 JOMTYEJUECFTQZ-LURJTMIESA-N 244.251 -0.823 50 20 BBGD CCO[C@@H](C)C(=O)NNc1cnnn1C 1326339894 HWJAYIJYTMGLOU-LURJTMIESA-N 213.241 -0.317 50 20 BBGD CNC(=O)NNC(=O)c1c(C)nn(C)c1OC 1327920284 KAQDIBYHJLCDMQ-UHFFFAOYSA-N 241.251 -0.689 50 20 BBGD CC(C)[C@H](C#N)C=NNC(=O)CS(C)(=O)=O 1329555691 BKVSVTNCFAZVDB-MRVPVSSYSA-N 245.304 -0.071 50 20 BBGD CNC(=O)NNC(=O)c1ccc2nnc(C)n2c1 1338270631 MOZGCOMCQFWQRZ-UHFFFAOYSA-N 248.246 -0.388 50 20 BBGD CCCNC(=O)NNC(=O)c1cc(O)n(C)n1 1350605687 OLAROARCGZECHI-UHFFFAOYSA-N 241.251 -0.520 50 20 BBGD C[C@H](O)CN(C)NC(=O)CO[C@H]1CCOC1 1354062246 YGGVKAWVEONNQJ-IUCAKERBSA-N 232.280 -0.864 50 20 BBGD C=C(CC)C(=O)NNC(=O)CS(C)(=O)=O 1521757256 MVJULWRUNWYFDW-UHFFFAOYSA-N 234.277 -0.855 50 20 BBGD Cc1cccc(NNC(=O)COCC(=O)O)n1 1607856666 FQUIRAZMTKPWQL-UHFFFAOYSA-N 239.231 -0.066 50 20 BBGD CCOC(=O)NNC(=O)CNC(=O)OC 58840967 HKOFKXAKESYLPA-UHFFFAOYSA-N 219.197 -0.880 50 20 BBGD Cc1sc(=O)n(CC(=O)NN)c1C 70162228 QFHNAPLLGNMYQY-UHFFFAOYSA-N 201.251 -0.483 50 20 BBGD Cc1cc(NC(=O)NNC(=O)CCO)ccn1 127488495 GNGTZNVVWGHTKA-UHFFFAOYSA-N 238.247 -0.075 50 20 BBGD COc1cccc(C[C@@H](N)C(=O)NN)c1 258972696 IJEXSCXSMAIUBH-SECBINFHSA-N 209.249 -0.445 50 20 BBGD O=C(NNc1ncccn1)C1(O)CCC1 273275986 VXWCSXNFXLRMRY-UHFFFAOYSA-N 208.221 -0.165 50 20 BBGD C[C@@]1(NC(=O)c2ccc(B(O)O)cc2)CCOC1 584966518 CGSWCONETYXDOS-GFCCVEGCSA-N 249.075 -0.725 50 20 BBGD C[C@@H](NCc1ccc(B(O)O)o1)[C@H]1CCCO1 585018560 YNWDGCNZBCMXRE-PSASIEDQSA-N 239.080 -0.384 50 20 BBGD CN(C)CC(=O)NN=C1CCCS(=O)(=O)C1 731926801 QZJRBOVUFZMMLM-UHFFFAOYSA-N 247.320 -0.771 50 20 BBGD O=C(NN=Cc1cc[nH]c1)C(=O)NC1CC1 745203374 UQHJUTDTVTVYMT-UHFFFAOYSA-N 220.232 -0.257 50 20 BBGD CC(C)(O)C(=O)NNC(=O)c1cnco1 768241003 IMARMIQKWJUNNY-UHFFFAOYSA-N 213.193 -0.794 50 20 BBGD CC(C)C(=O)NNC(=O)C1(O)CCC1 771886376 XFQMJTSIVWSCGE-UHFFFAOYSA-N 200.238 -0.295 50 20 BBGD O=C(CO)NNC(=O)c1cccnc1S 777782072 XMNCTXKQPLYMMT-UHFFFAOYSA-N 227.245 -0.876 50 20 BBGD C#CCN1CCC[C@H]1C(=O)NN(C)C(N)=O 778411562 DWSHWEFEFQBWMR-QMMMGPOBSA-N 224.264 -0.874 50 20 BBGD O=C1CC(C(=O)NNC(=O)N=c2cc[nH]cc2)C1 802034979 MPNBQGHUKCDHOS-UHFFFAOYSA-N 248.242 -0.365 50 20 BBGD CCN(CCO)NC(=O)COC[C@@H]1CCCO1 823860209 OGDZLOFPHLWOSQ-JTQLQIEISA-N 246.307 -0.473 50 20 BBGD CO[C@@H](C(=O)NN(C)[C@@H](C)CO)C1CC1 823927788 GIUXRWJQEMWBTQ-IONNQARKSA-N 216.281 -0.245 50 20 BBGD CCO/C=C(/C#N)C(=O)NN(C)[C@H](C)CO 823946000 BZDYZVDDDDCLPB-XZZQCUQZSA-N 227.264 -0.226 50 20 BBGD CCO[C@H](C)C(=O)NNC(=O)[C@H]1CCO[C@@H]1C 843648325 XDNNTAMLPIDHTE-HLTSFMKQSA-N 244.291 -0.016 50 20 BBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1cc[nH]n1 843648501 XSDUBACVXAYLTN-NKWVEPMBSA-N 238.247 -0.404 50 20 BBGD CC(C)(O)CC(=O)NNC(=O)c1cc[nH]n1 855356835 SLJDYGJDLFVWPA-UHFFFAOYSA-N 226.236 -0.668 50 20 BBGD CCN(CCN)S(=O)(=O)CBr 858620413 YMNPGAHEDUVUSQ-UHFFFAOYSA-N 245.142 -0.051 50 20 BBGD CC(C)C(=O)NNC(=O)CN1C[C@H]2C[C@H]2C1 886348184 IEYDEZYVVQZWSS-DTORHVGOSA-N 225.292 -0.259 50 20 BBGD CN(C)C(=O)c1cccc(C=NNC(=O)CO)c1 901210324 KHGUTQVYUYFXAC-UHFFFAOYSA-N 249.270 -0.169 50 20 BBGD CCNC(=O)NNC(=O)[C@H](C)NC(=O)CC 920858494 TZKYNQWSAVYXGF-LURJTMIESA-N 230.268 -0.749 50 20 BBGD CNC(=O)NNC(=O)c1snnc1C1CC1 1261217060 WTMQNISXLAOVIH-UHFFFAOYSA-N 241.276 -0.011 50 20 BBGD COC(=O)NNC(=O)c1c[nH]c(C(N)=O)c1 1320384033 HAXUTXYFLTYCIU-UHFFFAOYSA-N 226.192 -0.886 50 20 BBGD CCNC(=O)NNC(=O)c1conc1COC 1324078718 WBFAAEKIHIOUIK-UHFFFAOYSA-N 242.235 -0.215 50 20 BBGD CCNC(=O)NNC(=O)[C@@H](C)Cc1cnc[nH]1 1329041063 WQGKHPFWHLQLOI-ZETCQYMHSA-N 239.279 -0.061 50 20 BBGD Cc1nnc(CC(=O)NN(C)[C@@H](C)CO)s1 1336010898 LJAPHNICWSOICZ-LURJTMIESA-N 244.320 -0.267 50 20 BBGD COC(=O)NNC(=O)c1cnn(C)c1C 1338024526 RVNKMPFZFWUXAZ-UHFFFAOYSA-N 212.209 -0.271 50 20 BBGD CNCCCCC(=O)NNc1nc[nH]n1 1578683621 HKOMERVSCLUVPU-UHFFFAOYSA-N 212.257 -0.363 50 20 BBGD C[C@@H]1CC[C@H](CNC(=O)NNC(=O)C(=O)O)C1 1604697131 AAWNUKDFFZYWGQ-RQJHMYQMSA-N 243.263 -0.162 50 20 BBGD Cn1cc(C=NNC(=O)CCO)cc1C(=O)O 1608107572 SLFNCQGCAJOHSQ-UHFFFAOYSA-N 239.231 -0.444 50 20 BBGD CC(C)(NC(=O)CBr)C(N)=O 75772332 CUUMFYRSQNDCDL-UHFFFAOYSA-N 223.070 -0.239 50 20 BBGD C[C@@H](CS(C)(=O)=O)NC(=O)CCl 81902775 FBNVCOPCYYZENL-YFKPBYRVSA-N 213.686 -0.226 50 20 BBGD CCOCCC(=O)NNC(=O)c1c[nH]nc1C 110761799 JEIOEMYZFUYMID-UHFFFAOYSA-N 240.263 -0.094 50 20 BBGD C[C@H](NS(=O)(=O)CBr)C(N)=O 127103235 GWCIYGRXULNEKH-VKHMYHEASA-N 245.098 -0.868 50 20 BBGD O=S(=O)(CCl)N1CCSC[C@@H]1CO 307031688 PEQAFNONKJGOGY-LURJTMIESA-N 245.753 -0.078 50 20 BBGD CC(C)(O)C(=O)NN=Cc1cnc(=N)[nH]c1 381584394 BKJVSVWVMVEWLY-UHFFFAOYSA-N 223.236 -0.890 50 20 BBGD C[C@H]1SCCC1=NNC(=O)C(N)=O 382328390 VVPRJOQJYRPUTN-SCSAIBSYSA-N 201.251 -0.531 50 20 BBGD C[C@H](Cl)C(=O)N1C[C@@H]2C(=O)N(C)C(=O)[C@H]2C1 409432816 WLLNEKQWLWPXPN-ACZMJKKPSA-N 244.678 -0.313 50 20 BBGD C#CCN(C)CC(=O)NNC(=O)C(C)(C)C 491704675 JKUZEEMMLUQKFY-UHFFFAOYSA-N 225.292 -0.255 50 20 BBGD COC(=O)N(C)NC(=O)[C@H](O)c1cnn(C)c1 495624332 DYJNMBYLNNBHNF-SSDOTTSWSA-N 242.235 -0.817 50 20 BBGD C[C@@H]1C[C@@H]1NC(=O)c1ccc(B(O)O)c(F)c1 584940761 ZPBGWFJJYQVVOI-LDWIPMOCSA-N 237.039 -0.356 50 20 BBGD O=C(NC(CF)CF)c1cccc(B(O)O)c1 584995326 MIXPSTIGUKECBU-UHFFFAOYSA-N 243.018 -0.596 50 20 BBGD OB(O)c1cccc(CNCCn2ccnc2)c1 585014530 UVGXIOFGIWADLX-UHFFFAOYSA-N 245.091 -0.647 50 20 BBGD OCCCCCNCc1cccc(B(O)O)c1 585039139 OUJHABLAUJKGKI-UHFFFAOYSA-N 237.108 -0.381 50 20 BBGD CC(C)(CC#N)CNCc1ccc(B(O)O)o1 585045721 FUGNXHJFQJCMAW-UHFFFAOYSA-N 236.080 -0.011 50 20 BBGD Cc1cc(S(=O)(=O)NCB(O)O)c(C)o1 585056203 QPVDQTSQTMKDMB-UHFFFAOYSA-N 233.054 -0.813 50 20 BBGD CN(CC(=O)NNc1ncccn1)C(=O)C1CC1 733129480 BBIPDEFZRJWUMR-UHFFFAOYSA-N 249.274 -0.212 50 20 BBGD COc1ccc(C(=O)NNC(=O)C(C)C)nn1 737765999 KGCIWSAIZKYZHS-UHFFFAOYSA-N 238.247 -0.098 50 20 BBGD CCc1cccnc1C(=O)NNC(=O)CO 753444672 OMSJTGCENWCDOF-UHFFFAOYSA-N 223.232 -0.603 50 20 BBGD Cn1ccc(C(=O)NNC(=O)Cc2cc[nH]n2)c1 755281939 LIXJTPJIVQHTBI-UHFFFAOYSA-N 247.258 -0.248 50 20 BBGD CNC(=O)NNC(=O)C(F)(F)C1(O)CCC1 758002258 DFQNGIZTHYIAER-UHFFFAOYSA-N 237.206 -0.503 50 20 BBGD CCOCC1(C(=O)NNC(C)=O)CC1 799518789 RNUZSBBJAKBRIH-UHFFFAOYSA-N 200.238 -0.030 50 20 BBGD Cn1cccc1C(=O)NNc1nc[nH]n1 816632696 VAVSVXYZWXMGJD-UHFFFAOYSA-N 206.209 -0.100 50 20 BBGD CCN(CCO)NC(=O)[C@@H]1CO[C@@H](C)C1 823878945 AYPWZARNTZZTRS-IUCAKERBSA-N 216.281 -0.243 50 20 BBGD O=C(C[C@@H]1CCC(=O)N1)NN=c1cc[nH]cc1 831867827 JYHSEHAHTKCMSE-VIFPVBQESA-N 234.259 -0.385 50 20 BBGD CNC(=O)NNC(=O)C[C@H](C)CC(=O)OC 847384701 SRAXDIGGZTWPGN-LURJTMIESA-N 231.252 -0.464 50 20 BBGD O=S(=O)(CCl)N1C[C@H]2C[C@@]2(CO)C1 849388291 QDBRORZQKHIQMJ-RQJHMYQMSA-N 225.697 -0.173 50 20 BBGD CC[C@]1(C(=O)NNC(=O)C2CC2)CCNC1=O 864443780 JFWIOHNXJUPCBV-NSHDSACASA-N 239.275 -0.540 50 20 BBGD CCNC(=O)NNC(=O)c1c[nH]nc1C 1115899766 LPKCTWFPKSEJOX-UHFFFAOYSA-N 211.225 -0.318 50 20 BBGD CO[C@H](C)C(=O)NNc1ccc(C(N)=O)nn1 1116252536 FTIZZTCUIVDTKI-RXMQYKEDSA-N 239.235 -0.947 50 20 BBGD Cc1nc(C=NNC(=O)[C@H]2CCC(=O)N2)[nH]c1C 1118948878 HLLMURDWMIJKAP-MRVPVSSYSA-N 249.274 -0.245 50 20 BBGD CC(C)C(=O)NNC(=O)CO[C@@H]1CCOC1 1252538225 VNIIVGBULBPCBJ-MRVPVSSYSA-N 230.264 -0.405 50 20 BBGD CC[C@@H](CO)C(=O)NNC(=O)C1CCOCC1 1354180666 GDNQCVYOCVJTOM-QMMMGPOBSA-N 244.291 -0.421 50 20 BBGD O=C(O)C(=O)NN=Cc1cnc2n1CCC2 1601635734 JSDWXTFZNHFLET-UHFFFAOYSA-N 222.204 -0.636 50 20 BBGD CC(=NNC(=O)C(N)=O)c1cc(C(=O)O)co1 1609553253 SNYNBXGCUKNKNI-UHFFFAOYSA-N 239.187 -0.697 50 20 BBGD CCCC(=O)NN=Cc1cn(CC(=O)O)nn1 1776107133 LLMMYCYHCZWNBA-UHFFFAOYSA-N 239.235 -0.387 50 20 BBGD CC(C)(C)NCC(=O)NNC(=O)C1CC1 51340407 KJNHFNBDWKYXFX-UHFFFAOYSA-N 213.281 -0.068 50 20 BBGD CC(C)(O)C(=O)NNC(=O)c1ncccc1O 277879420 DSCQCXJZNWFHKK-UHFFFAOYSA-N 239.231 -0.681 50 20 BBGD COC(=O)c1cc2cc(B(O)O)ccc2cn1 575625106 XGTYLNNJXLOOPL-UHFFFAOYSA-N 231.016 -0.299 50 20 BBGD C[C@H](CCO)CCNCc1ccc(B(O)O)o1 585043452 MQJVLSIDPWQUSK-VIFPVBQESA-N 241.096 -0.542 50 20 BBGD CNC(=O)NNC(=O)COC[C@H]1CCCO1 733255129 HDSFZARZNYWFKW-SSDOTTSWSA-N 231.252 -0.858 50 20 BBGD CC(=NNC(=O)C(N)=O)c1occc1C 767746724 KRPTYAYSPYTPJT-UHFFFAOYSA-N 209.205 -0.086 50 20 BBGD O=C(CO)NNC(=O)CC[C@H]1CCCO1 777781966 TULBECUWCVPKOJ-SSDOTTSWSA-N 216.237 -0.915 50 20 BBGD CNC(=O)CCCC(=O)NNC(=O)C1CCC1 780657975 GRDYNDSPCQJBMF-UHFFFAOYSA-N 241.291 -0.150 50 20 BBGD CCNC(=O)NNC(=O)CC1OCCO1 793203834 IKEDAOJHXPOYCK-UHFFFAOYSA-N 217.225 -0.900 50 20 BBGD CNC(=O)NNC(=O)c1cccc(C(=O)O)c1 820637387 JVQUFNJQNVZHTA-UHFFFAOYSA-N 237.215 -0.041 50 20 BBGD COCCC(COC)=NNC(=O)c1ncon1 901287367 TUXNIICBDTUEIX-UHFFFAOYSA-N 242.235 -0.162 50 20 BBGD O=C(c1cnn2c1CCC2)N1CC[C@@H](B(O)O)C1 1329215617 PSUZJKUUEJXUFV-MRVPVSSYSA-N 249.079 -0.482 50 20 BBGD CC1=NO[C@](C)(C(=O)NN(C)C[C@H](C)O)C1 1335951944 NEZMICHNYWRIJW-WPRPVWTQSA-N 229.280 -0.115 50 20 BBGD O=C(NN=Cc1cnc[nH]1)c1cnccn1 1341145515 QOOGAEMFOCGDNZ-UHFFFAOYSA-N 216.204 -0.036 50 20 BBGD Cc1cccc(C(=O)NNC(=O)[C@@H](C)N)n1 1574086350 LDDWMLLEAIFLLX-SSDOTTSWSA-N 222.248 -0.502 50 20 BBGD CC(C)(O)C(=O)NNc1ncccc1C(=O)O 1588796237 XLVUXRMQBZFFKV-UHFFFAOYSA-N 239.231 -0.006 50 20 BBGD CCC[C@@H](CNC(=O)NNC(=O)C(=O)O)OC 1595593180 VRVGTFZLQQHKOD-LURJTMIESA-N 247.251 -0.784 50 20 BBGD CC(=O)NNC(=O)[C@]1(C(=O)O)CC=CCC1 1602760980 YHLWEHRKYJQHDT-JTQLQIEISA-N 226.232 -0.035 50 20 BBGD CC(C)n1cc(C=NNC(=O)C(=O)O)nn1 1604033386 SWZTUMFHUQUPHH-UHFFFAOYSA-N 225.208 -0.606 50 20 BBGD NNC(=O)Cn1c(O)nc(=O)c2ccccc21 301134849 OEKKIKSUKYUNIF-UHFFFAOYSA-N 234.215 -0.908 50 20 BBGD CCS(=O)(=O)CC(=O)NN(C)C(=O)OC 495759132 ALJKGBHKKLCKLZ-UHFFFAOYSA-N 238.265 -0.850 50 20 BBGD C=CC[C@H](CO)CNCc1ccccc1B(O)O 585035293 QVIKRWSWHPDBLQ-NSHDSACASA-N 249.119 -0.359 50 20 BBGD C=C[C@@H]1OCC[C@H]1NCc1cccc(B(O)O)c1 585042935 GHSCOVRWLBLJJV-OLZOCXBDSA-N 247.103 -0.201 50 20 BBGD OB(O)c1ccc(CNC(CF)CF)cc1 585043974 WHEBVHOSSFFOPF-UHFFFAOYSA-N 229.035 -0.236 50 20 BBGD CCCOCC(=O)N1CC[C@@H](B(O)O)C1 585075573 HQDCJOFAVDNLCK-MRVPVSSYSA-N 215.058 -0.512 50 20 BBGD O=C(Cc1cccnc1)NNC(=O)[C@H]1CCCO1 728856091 NNRYFCVUQGTJGQ-SNVBAGLBSA-N 249.270 -0.050 50 20 BBGD CCCNC(=O)CCCC(=O)NNC(C)=O 729509731 CQJIOYYQPHJDNN-UHFFFAOYSA-N 229.280 -0.150 50 20 BBGD CN(C)C(=O)NNC(=O)CN(C)C(=O)C1CC1 733141479 MTGJILCAGARMJI-UHFFFAOYSA-N 242.279 -0.843 50 20 BBGD COC[C@@H](OC)C(=O)NNC(=O)C1CCCC1 821750707 NXKSCUZOTGNKKA-SECBINFHSA-N 244.291 -0.015 50 20 BBGD C[C@@H](CO)N(C)NC(=O)[C@@H]1CCC(=O)C1 823913147 PBZXEMDLNNENKC-JGVFFNPUSA-N 214.265 -0.301 50 20 BBGD CC(C)C(=O)NNC(=O)c1cn(C)c(=O)n1C 827621743 MJFWWVZUIQDXBH-UHFFFAOYSA-N 240.263 -0.859 50 20 BBGD CCNC(=O)N(C)N=Cc1ncnn1C 842530895 VIWQHDUAZPOLIY-UHFFFAOYSA-N 210.241 -0.190 50 20 BBGD Cc1ccoc1CC(=O)NNC(=O)CN(C)C 857106090 YMZPPQLFJJRXBX-UHFFFAOYSA-N 239.275 -0.160 50 20 BBGD COCCN(C)NC(=O)[C@@H](NC=O)C(C)C 861657550 ZUESSXSLGTYMGS-VIFPVBQESA-N 231.296 -0.634 50 20 BBGD Cn1cccc1C=NNC(=O)[C@@H]1CCC(=O)N1 863147091 YBHALMPAQQMEIZ-VIFPVBQESA-N 234.259 -0.246 50 20 BBGD Cc1cc(C(=O)NNC(=O)C2CSC2)n[nH]1 867069837 ZVCLIYMJQDGJQW-UHFFFAOYSA-N 240.288 -0.158 50 20 BBGD CCNC(=O)NNC(=O)[C@H]1CCCC(=O)N1C 906418514 XLTRVGUMXQYMRQ-SSDOTTSWSA-N 242.279 -0.652 50 20 BBGD C[C@@H](O)CN(C)NC(=O)c1cnc(O)n1C 910145600 CEBJSMSMTXOUFX-ZCFIWIBFSA-N 228.252 -0.917 50 20 BBGD CCN(CC)CC(=O)NN(C)C[C@H](C)O 910162710 IGSCMGMMRAVYOH-VIFPVBQESA-N 217.313 -0.328 50 20 BBGD CC(C)(F)C(=O)NNC(=O)[C@H]1CCC(=O)N1 1118884729 OSUCIFDUKKUUMT-RXMQYKEDSA-N 231.227 -0.840 50 20 BBGD CCNC(=O)N(C)NC(=O)[C@@H](N)CCCC#N 1327857436 XDBZTBOZDPZUHE-QMMMGPOBSA-N 241.295 -0.300 50 20 BBGD CN(C)C(=O)NNC(=O)C[C@H]1CCCC(=O)N1 1330122031 AMIKVOLFMSEMRJ-SSDOTTSWSA-N 242.279 -0.652 50 20 BBGD N#Cc1ccc(C=NNC(=O)[C@H]2CCC(=O)N2)o1 1330141977 HTNFMMADZSGEBT-SECBINFHSA-N 246.226 -0.120 50 20 BBGD C[C@](O)(C(=O)NNC(=O)[C@@H]1CCN1)C1CCC1 1576252895 UXLWHUMXRVDBKO-GZMMTYOYSA-N 241.291 -0.953 50 20 BBGD CCO/C=C(\C#N)C(=O)NC[C@@H](O)CC(=O)O 1596860615 AWNKJKDLBSWJLF-CZEYKFRCSA-N 242.231 -0.618 50 20 BBGD CCC(=O)NNC(=O)[C@H](C)N(C)CC#N 109835601 BTVHBVPRIWQDOV-ZETCQYMHSA-N 212.253 -0.612 50 20 BBGD COc1cc(C)nc(NNC(=O)CCCN)n1 160877207 DYXKDDYTDHKEAY-UHFFFAOYSA-N 239.279 -0.024 50 20 BBGD COC(=O)[C@@H]1CC[C@H]1C(=O)NN(C)C(N)=O 285912409 VZINQPBKPVLRIO-PHDIDXHHSA-N 229.236 -0.773 50 20 BBGD CC(=O)N1CC[C@@H](NC(=O)CCl)C1 306569711 LNNQOEHHFABTRE-SSDOTTSWSA-N 204.657 -0.038 50 20 BBGD CO[C@@H](C(=O)Nc1cccc(B(O)O)c1)C1CC1 584913724 IQGAZCBDSSPMNG-LLVKDONJSA-N 249.075 -0.270 50 20 BBGD OC[C@@H](CC1CC1)NCc1ccc(B(O)O)cc1 585029832 JLOMOQHXSNEBJU-CYBMUJFWSA-N 249.119 -0.383 50 20 BBGD CN(C)CC(=O)NNC(=O)CC1CCOCC1 735330557 FPMVHXLNERIYDR-UHFFFAOYSA-N 243.307 -0.488 50 20 BBGD CCC[C@@H](O)CC(=O)NNC(=O)NC 750254318 MVEIJDAVHPLQHJ-ZCFIWIBFSA-N 203.242 -0.502 50 20 BBGD COC[C@@](C)(O)C(=O)NNC(=O)c1ccc[nH]1 754978817 URFOHIBRUMLTTC-SNVBAGLBSA-N 241.247 -0.827 50 20 BBGD CC(=O)NNC(=O)Nc1cccc(C(N)=O)n1 765222118 LGOOLFFECMPJCP-UHFFFAOYSA-N 237.219 -0.647 50 20 BBGD COC(=O)NC(C)(C)C(=O)NN(C)C[C@@H](C)O 824156067 VWSWMQGXWYMEHH-SSDOTTSWSA-N 247.295 -0.535 50 20 BBGD CCC(=O)NNC(=O)[C@H](C)N(C)CCCN 843351415 SNCUNHOMEXOKPE-QMMMGPOBSA-N 230.312 -0.787 50 20 BBGD CNC(=O)NNC(=O)[C@](C)(NC(C)=O)C(C)C 930584779 OVBCDLFTCHZRKU-SNVBAGLBSA-N 244.295 -0.503 50 20 BBGD CNC(=S)N(C)NC(=O)C[C@H]1CCOC1 1118769237 ANTPPNJKZIUNBT-SSDOTTSWSA-N 231.321 -0.120 50 20 BBGD O=C(C[C@@H]1CCOC1)NNC(=O)NC1CC1 1322011888 HSFNLCMRHMGADI-ZETCQYMHSA-N 227.264 -0.094 50 20 BBGD C[C@H](C(=O)NNc1cccnn1)S(C)(=O)=O 1323745390 WSMJQZHXMNGEKS-ZCFIWIBFSA-N 244.276 -0.647 50 20 BBGD CN(NC(=O)CCCCC(=O)O)C(N)=O 1593766075 DYNCYSZXFJERGZ-UHFFFAOYSA-N 217.225 -0.327 50 20 BBGD CCNC(=O)N(C)NC(=O)[C@@H](C)CC(=O)O 1596462662 AKDPMDAFUPWKSV-LURJTMIESA-N 231.252 -0.210 50 20 BBGD COc1ccccc1CC(=O)NNC(N)=O 70190886 YTSPFZGPXDHALE-UHFFFAOYSA-N 223.232 -0.063 50 20 BBGD CNC(=O)NNC(=S)NCC(C)C 307059801 CNHFIFJJCXXQIW-UHFFFAOYSA-N 204.299 -0.050 50 20 BBGD COC(=O)N(C)NC(=O)[C@H]1CC[C@H]1C(N)=O 496233252 BMNPRAQXZRWSSV-RITPCOANSA-N 229.236 -0.773 50 20 BBGD CO[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)C1 584961775 XCJPBTIQQAIWCN-LLVKDONJSA-N 249.075 -0.773 50 20 BBGD CNC(=O)NNC(=O)[C@@](C)(O)C(C)C 771263660 AVGUZGICFNNBDY-QMMMGPOBSA-N 203.242 -0.646 50 20 BBGD COCCN(C)NC(=O)c1cc(C(N)=O)c[nH]1 808074139 ZHGBDNIYAJGGJF-UHFFFAOYSA-N 240.263 -0.663 50 20 BBGD CC(C)[C@H](O)C(=O)NNC(=O)C1CCC1 813448071 AHYQWABMXKVWRJ-QMMMGPOBSA-N 214.265 -0.049 50 20 BBGD CC(C)[C@H](O)C(=O)NNC(=O)[C@H]1CCO[C@H]1C 843969987 AODGYNHIZFTIQK-CIUDSAMLSA-N 244.291 -0.424 50 20 BBGD O=C(O)[C@H]1C[C@@H](NCc2ccccc2B(O)O)C1 901615161 PPDLYXHMXSDRBG-AOOOYVTPSA-N 249.075 -0.681 50 20 BBGD CN1C(=O)CCC[C@@H]1C(=O)NNc1cccnn1 907330358 UEUZFBFZGGKAOD-MRVPVSSYSA-N 249.274 -0.069 50 20 BBGD CCN(CCO)NC(=O)[C@@]12CCCN(CC1)C2 911444892 WLLYGHWWZBJAGB-LBPRGKRZSA-N 241.335 -0.182 50 20 BBGD Cn1cc(/C=C\C(=O)NNC(=O)NC2CC2)cn1 920766476 DCSSXONMPHDMHV-DJWKRKHSSA-N 249.274 -0.074 50 20 BBGD C=C[C@H](O)C(=O)NNC(=O)[C@H]1CCO[C@@H]1C 1118773277 HLYRPGZUQSAQRA-CSMHCCOUSA-N 228.248 -0.894 50 20 BBGD CCOCC(=O)NNC(=O)NC[C@H]1CCOC1 1251719991 DMKKSTNIIQMPHH-MRVPVSSYSA-N 245.279 -0.610 50 20 BBGD CN(C)C(=O)NNC(=O)c1cc(C#N)c[nH]1 1319367466 JFUCYFMZHVVFLV-UHFFFAOYSA-N 221.220 -0.198 50 20 BBGD Cc1nn(C)cc1/C=C(\C#N)S(N)(=O)=O 1321356239 GDPPTJLQCXQKFX-FPYGCLRLSA-N 226.261 -0.119 50 20 BBGD CC(=O)NNC(=O)C1(C)CCOCC1 1324630134 OLQAPOCPXVHSOR-UHFFFAOYSA-N 200.238 -0.030 50 20 BBGD CC(C)[C@@H](C(=O)O)C(=O)NNC(=O)CN(C)C 1588807873 JRYLRUYEDQTGJP-MRVPVSSYSA-N 245.279 -0.948 50 20 BBGD Cc1c[nH]ccc1=NNC(=O)[C@H](C)C(=O)O 1605376041 RHYUIRQLWWGIRJ-ZETCQYMHSA-N 223.232 -0.024 50 20 BBGD CC(C)CCC(=O)NNC(=O)C(=O)NC1CC1 48375734 YBAXSFIGOTYTJO-UHFFFAOYSA-N 241.291 -0.151 50 20 BBGD CC(=O)NNC(=O)CCc1cnn(C)c1 48823252 VYDBDXPKUFQWSQ-UHFFFAOYSA-N 210.237 -0.480 50 20 BBGD C[C@H](C(=O)NCB(O)O)c1ccccc1 195983166 ZNXHYFPIHOQFPM-QMMMGPOBSA-N 207.038 -0.082 50 20 BBGD CC(C)(C=NNC(N)=O)S(C)(=O)=O 379413143 LKILYAUBJUWNND-UHFFFAOYSA-N 207.255 -0.536 50 20 BBGD CO[C@@H](C)CCNCc1cccc(B(O)O)c1 585021127 PRHBOBQKOSENAZ-JTQLQIEISA-N 237.108 -0.119 50 20 BBGD CO[C@H](C)[C@@H](C)NCc1ccc(B(O)O)cc1 585041743 UUVUQIHMFNDJFF-NXEZZACHSA-N 237.108 -0.121 50 20 BBGD C=C[C@H](CO)NCc1ccc(B(O)O)cc1 585049030 AFZYIYUQACGJAQ-LLVKDONJSA-N 221.065 -0.997 50 20 BBGD O=C(NNC(=O)[C@H]1C[C@H]1C(=O)O)c1ccc[nH]1 739454539 SFPWMXYDEGHDFO-NTSWFWBYSA-N 237.215 -0.504 50 20 BBGD CCNC(=O)NNC(=O)C[C@@H](C)OC 749586500 VDQAMRXBPDIWPZ-ZCFIWIBFSA-N 203.242 -0.238 50 20 BBGD COCCCNC(=O)NNC(=O)[C@H]1CCCO1 755665334 WJRCAJXRFQAGJU-MRVPVSSYSA-N 245.279 -0.468 50 20 BBGD CCn1cc(NC(=O)NNC(=O)COC)cn1 761851183 AHAKHUZWLDRQFC-UHFFFAOYSA-N 241.251 -0.298 50 20 BBGD CN(C)CC(=O)NNC(=O)[C@H]1C[C@]12CCOC2 764463839 WINCGMJSESODDH-KCJUWKMLSA-N 241.291 -0.878 50 20 BBGD CCNC(=O)NNC(=O)C1(O)CCSCC1 764880867 MRPQVADQBNYSJE-UHFFFAOYSA-N 247.320 -0.405 50 20 BBGD CCNC(=O)NNC(=O)c1cn(C)nc1CC 770710832 MYZMHWSCSWOEIJ-UHFFFAOYSA-N 239.279 -0.054 50 20 BBGD O=C(CN1CCCNC1=O)NNc1ccccn1 777473533 BAUKFRRHAJQITE-UHFFFAOYSA-N 249.274 -0.060 50 20 BBGD Cn1nncc1C(=O)NNC(=O)c1ccc[nH]1 798844041 VEBSBHSRNXEFEP-UHFFFAOYSA-N 234.219 -0.782 50 20 BBGD CN1CCN(C(=O)NN=Cc2cnccn2)CC1 807983874 AQPSXJNKXGFYDE-UHFFFAOYSA-N 248.290 -0.233 50 20 BBGD CC(C)(C)C(=O)NNC(=O)[C@@H]1CCCN1C=O 822253354 YBJAGEAQJRTCIK-QMMMGPOBSA-N 241.291 -0.199 50 20 BBGD CCN1C[C@H](C(=O)NN(C)CCOC)CC1=O 837621613 LFHORKSOAIGBAC-SECBINFHSA-N 243.307 -0.536 50 20 BBGD COc1ccc(C(=O)NN(C)C(N)=O)o1 847636651 SHKXLJLRRGEJOF-UHFFFAOYSA-N 213.193 -0.057 50 20 BBGD CN1CC[C@@H](C(=O)NNC(=O)c2cc[nH]n2)C1 855356540 TYEGJCXPGSVNSH-SSDOTTSWSA-N 237.263 -0.878 50 20 BBGD O=C(NN=C1CCS(=O)(=O)C1)c1cn[nH]c1 863156049 JUDQHTWPUNGGMZ-UHFFFAOYSA-N 242.260 -0.686 50 20 BBGD CN1CC[C@@H]1CNC(=O)NNc1ncccn1 925400682 SFEWKKFIXGQOKQ-MRVPVSSYSA-N 236.279 -0.193 50 20 BBGD CN[C@@H](C)C(=O)NNc1nncc(N)c1Cl 1118569886 QQVWZDJFCOAQBR-BYPYZUCNSA-N 244.686 -0.237 50 20 BBGD O=C(CCO)NN=C1C(=O)Nc2ccccc21 1318930393 AGYLVEMJUXDRNI-UHFFFAOYSA-N 233.227 -0.159 50 20 BBGD CCNC(=O)NNC(=O)c1ccncn1 1320599740 SEYYXXBXOCKSTK-UHFFFAOYSA-N 209.209 -0.560 50 20 BBGD C#CCCCC(=O)NNC(=O)c1cc[n+]([O-])cc1 1342593620 VOZRULFMXDQWSB-UHFFFAOYSA-N 247.254 -0.116 50 20 BBGD CC(=NNC(=O)C(=O)O)c1cnn(C)c1C 1589011403 XEMOJDMRQCARLJ-UHFFFAOYSA-N 224.220 -0.347 50 20 BBGD O=C(NNc1nc[nH]n1)[C@H]1CC[C@H]1C(=O)O 1608484991 YBVOHTWLPFNCMG-CRCLSJGQSA-N 225.208 -0.641 50 20 BBGD CCNC(=O)N(C)NC(=O)Cc1ccn[nH]1 272695151 ROXKCZORQZZTKO-UHFFFAOYSA-N 225.252 -0.355 50 20 BBGD O=C(C[C@@H]1CCOC1)Nc1cccc(B(O)O)c1 405003854 PRMMYOWRVHAEAZ-VIFPVBQESA-N 249.075 -0.269 50 20 BBGD C[C@@H](O)CCOc1ccc(B(O)O)cc1 584910704 SBQZTAVGCSOWBF-MRVPVSSYSA-N 210.038 -0.484 50 20 BBGD C=CCCOCC(=O)NNC(=O)N(C)C 746014301 FHQHGYASDHHYNU-UHFFFAOYSA-N 215.253 -0.119 50 20 BBGD COCC(C)=NNC(=O)[C@H]1CCS(=O)(=O)C1 750932160 GCDIDYAJIXOPFO-QMMMGPOBSA-N 248.304 -0.440 50 20 BBGD O=C1CC(C(=O)NNC(=O)c2ccccn2)C1 765460948 YPLGBMUOEWYLJP-UHFFFAOYSA-N 233.227 -0.178 50 20 BBGD C[C@H](CO)N(C)NC(=O)/C=C\c1cn(C)cn1 823384302 HVDIVBKCQPMFGC-XRVBUDJMSA-N 238.291 -0.223 50 20 BBGD O=C(CCCF)NNC(=O)c1ncccn1 854953187 SNLSHTGBNXTIPA-UHFFFAOYSA-N 226.211 -0.013 50 20 BBGD CNC(=O)NCCC(=O)NNc1ccncn1 857521452 JGEBATUNTHPJTF-UHFFFAOYSA-N 238.251 -0.761 50 20 BBGD O=C(NNC(=O)C1CCC1)N[C@@H]1CCNC1 861707144 OJPYYAOLKVQRHS-MRVPVSSYSA-N 226.280 -0.521 50 20 BBGD CC(=NNC(=O)[C@H]1CCC(=O)N1)c1cnn(C)c1 863145598 OTCLVFSGEKFSNW-SECBINFHSA-N 249.274 -0.461 50 20 BBGD COC(=O)NNC(=O)[C@@H]1CCCCN(C)C1=O 878000083 PLPFCFUUYPTQDW-ZETCQYMHSA-N 243.263 -0.368 50 20 BBGD CN1CCO[C@H](C(=O)N2CC=C(C#N)CC2)C1=O 901267919 VLRDSOSOFWYJLZ-JTQLQIEISA-N 249.270 -0.474 50 20 BBGD CC(C)NC(=O)C(=O)NN=Cc1cc[nH]n1 1319488440 CZBCZEJZZXADCI-UHFFFAOYSA-N 223.236 -0.616 50 20 BBGD NC(=O)c1ccccc1C=NNC(=O)CO 1320676207 RGMBUTNOUPJWNU-UHFFFAOYSA-N 221.216 -0.772 50 20 BBGD O=C1CC[C@@H](C(=O)NNC(=O)[C@@H]2CC2(F)F)N1 1330108654 PUDUSLBBHHCIGU-WHFBIAKZSA-N 247.201 -0.932 50 20 BBGD COCCCNC(=O)NNC(=O)[C@H]1C[C@H]1F 1347395521 PWHYCQBDOAFUGG-NKWVEPMBSA-N 233.243 -0.289 50 20 BBGD CC(=O)NNc1ccc(-c2nn[nH]n2)cn1 1588869961 NDWCXCOQMVNRNW-UHFFFAOYSA-N 219.208 -0.275 50 20 BBGD C/C(=C\C(=O)O)COc1ccc(B(O)O)cc1 1588952137 LNARLEOMOHLTCL-SOFGYWHQSA-N 236.032 -0.224 50 20 BBGD COCCOCC(C)=NNC(=O)NCC(=O)O 1599250232 VNSQAPRKESKKGB-UHFFFAOYSA-N 247.251 -0.591 50 20 BBGD COCC(=O)NNC(=O)c1cccn1C 57997672 VJPJYRRFJVCJNY-UHFFFAOYSA-N 211.221 -0.568 50 20 BBGD CC1(C(=O)NNC(=O)Cc2cccnc2)COC1 272932646 SXIGQPGHOBOHDO-UHFFFAOYSA-N 249.270 -0.192 50 20 BBGD OB(O)c1cccc(CN[C@H]2CCOC2)c1 585030110 OMSVBIMJGSZJIZ-NSHDSACASA-N 221.065 -0.755 50 20 BBGD OCC1(CNCc2ccc(B(O)O)cc2)CCC1 585035288 RELROPQLOWFHNH-UHFFFAOYSA-N 249.119 -0.381 50 20 BBGD C#CCOCCC(=O)NNC(=O)c1ccccn1 755374930 CELQPJYZBSPZHY-UHFFFAOYSA-N 247.254 -0.118 50 20 BBGD CCc1ncsc1NC(=O)NNC(=O)CO 757756841 WFUADTFJJUSNEK-UHFFFAOYSA-N 244.276 -0.150 50 20 BBGD CC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1N 759073551 YICRHBRRRRHJCD-UHFFFAOYSA-N 238.203 -0.042 50 20 BBGD CN(NC(=O)COCc1ccccn1)C(N)=O 807180696 ITQHPDFNNUOCCJ-UHFFFAOYSA-N 238.247 -0.360 50 20 BBGD CCN(CCO)NC(=O)C1(O)CCCC1 823865121 JSSVQFSEZNCDBB-UHFFFAOYSA-N 216.281 -0.363 50 20 BBGD CCN(CCO)NC(=O)[C@@H]1COCCN1CC 823870059 XJFXEDFQSWXYLR-JTQLQIEISA-N 245.323 -0.948 50 20 BBGD CCNC(=O)N(C)NC(=O)[C@H]1C[C@H](N)C1 852883916 AYHKCIRUFTTZDX-LJGSYFOKSA-N 214.269 -0.584 50 20 BBGD C[C@H](O)CN(C)NC(=O)[C@@H]1CCN(C)C1 910156854 NHJUBTNEPMTZTQ-DTWKUNHWSA-N 215.297 -0.718 50 20 BBGD CC(C)[C@H](NC=O)C(=O)NN(C)C[C@H](C)O 910183237 LGOGEAVQRGNVEJ-IUCAKERBSA-N 231.296 -0.899 50 20 BBGD COCC1CN(C(=O)c2cccc(B(O)O)c2)C1 911967156 PTLJZNCVMLGGFR-UHFFFAOYSA-N 249.075 -0.915 50 20 BBGD O=C(NNc1nc[nH]n1)C1=COCCO1 1117722288 QRVQSQRGQAEAPQ-UHFFFAOYSA-N 211.181 -0.864 50 20 BBGD Cc1cc(NNC(=O)c2cn(C)nn2)ncn1 1323711297 GYRHEDFXJOQKQP-UHFFFAOYSA-N 233.235 -0.330 50 20 BBGD CN(C)CCn1cc(NC(=O)NN)cn1 1326592472 YJCROBRLEUFBJV-UHFFFAOYSA-N 212.257 -0.560 50 20 BBGD CN(C)CC(=O)NNC(=O)CCc1ncc[nH]1 1326722661 BUZJZCPJOSRDQP-UHFFFAOYSA-N 239.279 -0.949 50 20 BBGD Cn1cccc1C(=O)NNC(=O)CCN 1574087574 KETTWKZAQJGUAF-UHFFFAOYSA-N 210.237 -0.865 50 20 BBGD O=C(NNC(=O)[C@H]1CCCO1)[C@H]1C[C@H]1C(=O)O 1601555843 KEEDWPCENIYNSD-RRKCRQDMSA-N 242.231 -0.967 50 20 BBGD CO[C@](C)(C(=O)O)C(=O)NNC(=O)C(C)C 1604462639 DPGJPLUBOHWMKO-VIFPVBQESA-N 232.236 -0.721 50 20 BBGD COC(=O)Cn1ccc(=NC(=O)[C@H](F)Cl)[nH]1 2088605555 FADPFKNFXJVOEY-ZETCQYMHSA-N 249.629 -0.049 50 20 BBGD Cc1cc(C(=O)NNC(=O)[C@@H]2CCCO2)[nH]n1 130351640 AKAYMEOHHQMITB-QMMMGPOBSA-N 238.247 -0.342 50 20 BBGD CCNC(=O)NNC(=O)CN(CC)C1CC1 151747518 PXUFZOBMUGZHFF-UHFFFAOYSA-N 228.296 -0.179 50 20 BBGD COC(=O)[C@H]1C[C@H]1C(=O)NNc1ncccn1 171367807 UYEVIPKKNIMNJC-RQJHMYQMSA-N 236.231 -0.271 50 20 BBGD C[C@@H](NS(=O)(=O)c1cccs1)C(=O)NN 270263776 YKLZQFVWGCLZDX-RXMQYKEDSA-N 249.317 -0.595 50 20 BBGD C[C@H]1C[C@@H](C(=O)O)CCC1=NNC(=O)CO 382033812 VDVVENOWIDNSCA-BQBZGAKWSA-N 228.248 -0.028 50 20 BBGD OB(O)c1cccc(CNC[C@@H]2CC[C@@H](O)C2)c1 585038020 PTZAGUCTAFNNCG-DGCLKSJQSA-N 249.119 -0.383 50 20 BBGD CC[C@H](OC)C(=O)N1CC[C@H](B(O)O)C1 585074626 BQGBEHHIZIVZFQ-YUMQZZPRSA-N 215.058 -0.513 50 20 BBGD Cc1nonc1C(=O)NNC(=O)c1cccn1C 736668613 YTELFMMEUABFFT-UHFFFAOYSA-N 249.230 -0.209 50 20 BBGD C[C@H]1C(=O)CC[C@H]1CC(=O)NNC(=O)CO 795237389 CRMGKZKEXKNGIY-RQJHMYQMSA-N 228.248 -0.869 50 20 BBGD Cn1ncc(C(=O)NN=c2cc[nH]cc2)n1 803079064 SXUADESRMQSSJC-UHFFFAOYSA-N 218.220 -0.611 50 20 BBGD CN1CCC(CC(=O)NN(C)C(N)=O)CC1 813506703 MGTRWYJHKHLMJY-UHFFFAOYSA-N 228.296 -0.240 50 20 BBGD NC(=O)NN=Cc1cc(-c2nn[nH]n2)cs1 822880256 LXWOBQLDGVHOIZ-UHFFFAOYSA-N 237.248 -0.070 50 20 BBGD 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CC(=O)NNC(=O)c1cnc(Cl)n1C 873739384 BJUOYFJTRNYOHQ-UHFFFAOYSA-N 216.628 -0.146 50 20 BBGD COC(=O)N(C)NC(=O)N[C@@H]1COC[C@H]1OC 875686935 FLTBCNHZIXCSKL-RNFRBKRXSA-N 247.251 -0.687 50 20 BBGD CN(NC(=O)c1cnc2[nH]cnc2c1)C(N)=O 1320005539 NHSZGOPZQLJIAZ-UHFFFAOYSA-N 234.219 -0.387 50 20 BBGD CCNC(=O)NNC(=O)[C@@H](C)[C@H]1CCC(=O)N1 1331326194 RLYGYGOHWIAAGF-NKWVEPMBSA-N 242.279 -0.749 50 20 BBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@@H]1C[C@H]1F 1346863380 RAZVPGBVVXPFLR-RULNZFCNSA-N 230.239 -0.083 50 20 BBGD Cn1cc(N2C[C@H](C(=O)NN)CCC2=O)cn1 1353591792 VJCYAMMHIAQIME-SSDOTTSWSA-N 237.263 -0.847 50 20 BBGD COCCN(C)NC(=O)[C@@H]1CCCCN1 1574082313 AUCAWVWYPWDHLR-VIFPVBQESA-N 215.297 -0.262 50 20 BBGD CCN(CCO)NC(=O)[C@@H]1CC[C@@H]1C(=O)O 1589734323 XLWIVSMFGPBHDI-SFYZADRCSA-N 230.264 -0.557 50 20 BBGD C[C@@H](O)C(=O)NNc1ncccc1C(=O)O 1604994341 QDBPTJIBKINWOC-RXMQYKEDSA-N 225.204 -0.396 50 20 BBGD NNC(=O)c1ccc(CNC(N)=O)cc1 36962684 KTAQPSYRTKLATF-UHFFFAOYSA-N 208.221 -0.542 50 20 BBGD CN(C)CC(=O)NNC(=O)c1cccc(C#N)c1 75653286 ZDBZMGCRIBXDLB-UHFFFAOYSA-N 246.270 -0.119 50 20 BBGD C[C@@H](OC[C@H]1CCCCO1)C(=O)NN 82463780 MCYDZPOORQMFGY-HTQZYQBOSA-N 202.254 -0.050 50 20 BBGD CCO[C@@H](C)C(=O)NNC(=O)CN(C)C 113427275 ITNPBDAZUBPNAB-ZETCQYMHSA-N 217.269 -0.880 50 20 BBGD COC(=O)N1CCC(C(=O)NN)CC1 214296929 JHERGBOVWZIDDI-UHFFFAOYSA-N 201.226 -0.545 50 20 BBGD CC(C)COCCNCc1ccc(B(O)O)o1 585021770 ZLDMMOBPICWMQD-UHFFFAOYSA-N 241.096 -0.278 50 20 BBGD OB(O)c1ccc(CN[C@H]2CC[C@H](F)C2)o1 585040421 KFIMCWSYUMLILI-YUMQZZPRSA-N 227.044 -0.060 50 20 BBGD CC[C@H]1COC[C@@H]1NCc1cccc(B(O)O)c1 585047825 WEZHBZIMLRGHDK-AAEUAGOBSA-N 249.119 -0.119 50 20 BBGD O=C(NCB(O)O)c1cc(F)cc(F)c1 585055509 AKDHMLHRIZWKJL-UHFFFAOYSA-N 214.964 -0.293 50 20 BBGD CC(=O)NNC(=O)c1cnc2c(cnn2C)c1 747513936 SCWPKDMACSWSIK-UHFFFAOYSA-N 233.231 -0.251 50 20 BBGD Cc1c[nH]cc1C(=O)NNC(=O)C(C)(C)O 768245631 UBYPKUFQOBMRNG-UHFFFAOYSA-N 225.248 -0.145 50 20 BBGD N#CCC(=O)NNC(=O)COc1ccccc1O 772905544 YTZZFXUVRPGNBL-UHFFFAOYSA-N 249.226 -0.168 50 20 BBGD C#CCCS(=O)(=O)NN(C)C(=O)NCC 808306947 GMXZFRXBBRHLPZ-UHFFFAOYSA-N 233.293 -0.495 50 20 BBGD Cc1cc(OCC(=O)NN(C)[C@H](C)CO)no1 823983132 LOMQUCJUFGXPEY-SSDOTTSWSA-N 243.263 -0.294 50 20 BBGD CCNC(=O)NN=Cc1ncnn1CC 848403652 XMILTGQKIAUFOJ-UHFFFAOYSA-N 210.241 -0.049 50 20 BBGD C=CCNC(=S)NNC(=O)[C@H](O)C=C 854188233 ZBKWIGGPMKNBMN-ZCFIWIBFSA-N 215.278 -0.785 50 20 BBGD CCC(C)(C)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862452623 GBDDELBXBWJXQG-ZETCQYMHSA-N 241.291 -0.151 50 20 BBGD N#CC1(C(=O)NNC(=O)c2cn[nH]c2)CCC1 862471677 KGLPHEHTMOWRQO-UHFFFAOYSA-N 233.231 -0.135 50 20 BBGD CC(C)(C)NC(=O)NNC(=O)[C@H]1CCC(=O)N1 864392848 XJGKJRMKRMGBCG-ZCFIWIBFSA-N 242.279 -0.606 50 20 BBGD C=CCNC(=S)NNC(=O)/C=C\COC 864456991 ORNKQTLUGSXIBF-PLNGDYQASA-N 229.305 -0.130 50 20 BBGD Cc1cc(CNCc2ccccc2B(O)O)n[nH]1 877057717 MAGAJBCGVLYXCM-UHFFFAOYSA-N 245.091 -0.312 50 20 BBGD C=C[C@H](NNC(=O)C1CCOCC1)C(=O)OC 905817350 YWYCIAMHTCYTLQ-VIFPVBQESA-N 242.275 -0.239 50 20 BBGD Cc1cc(C(=O)NN(C)C[C@H](C)O)n[nH]1 910170428 LDIBMHRYHFJOMG-ZETCQYMHSA-N 212.253 -0.324 50 20 BBGD NC(=O)C1(C(=O)NNC(=O)c2ccc[nH]2)CC1 1318357201 VPZSGXZHUIKVLT-UHFFFAOYSA-N 236.231 -0.959 50 20 BBGD CC(CCCCO)=NNC(=O)C(N)=O 1323224650 OERLWRFPWFMSRK-UHFFFAOYSA-N 201.226 -0.874 50 20 BBGD COC(=O)C[C@H](C)C(=O)NNC(=O)C(C)(C)O 277876540 DGUSAJCFBYVEHH-LURJTMIESA-N 246.263 -0.896 50 20 BBGD CNC(=O)NNC(=O)COCC1CC1 299146327 WQGJVUOEZSJJTA-UHFFFAOYSA-N 201.226 -0.627 50 20 BBGD CC(C)(O)C(=O)NNc1nncc(N)c1Cl 309310860 WYGKCTMGOMUTJI-UHFFFAOYSA-N 245.670 -0.074 50 20 BBGD C[C@@H]1SCC[C@@H]1NCc1ccc(B(O)O)o1 585048794 WSRJPOCBWOKORQ-CBAPKCEASA-N 241.121 -0.057 50 20 BBGD Cc1cc(N2CC[C@@H](B(O)O)C2)n2ncnc2n1 585073715 ODOFCQABKKSABN-MRVPVSSYSA-N 247.067 -0.514 50 20 BBGD Cc1nnc(N2CC[C@H](B(O)O)C2)s1 585073905 QGDXCTLRXBMMFY-LURJTMIESA-N 213.071 -0.100 50 20 BBGD CCO[C@@H](C)C(=O)NNC(=O)Cc1cc[nH]n1 730090984 VOTUHOFGHZSSOP-ZETCQYMHSA-N 240.263 -0.475 50 20 BBGD COCc1nc(C(=O)NNC(=O)CO)cs1 753444782 AUUJQCDLZLACEI-UHFFFAOYSA-N 245.260 -0.957 50 20 BBGD CN1CC[C@@H](C(=O)NNC(=O)C(C)(C)C)C1=O 772192092 SPBQFZSVIPCEDA-ZETCQYMHSA-N 241.291 -0.342 50 20 BBGD CC(C)(O)C(=O)NNC(=O)c1ccc(C#N)cn1 787949785 HUKQPGMBTTWGJE-UHFFFAOYSA-N 248.242 -0.515 50 20 BBGD CCOCC(=O)NN=C1C(=O)OC[C@@H]1C 794909152 PJMCMXPUDCUMJI-LURJTMIESA-N 214.221 -0.312 50 20 BBGD CCC(=O)NNC(=O)[C@H](C)N(C)CCC(=O)O 818126017 AMONTJYGLOMPBU-ZETCQYMHSA-N 245.279 -0.661 50 20 BBGD Cc1nccc(C(=O)NN(C)[C@H](C)CO)n1 823971447 UIKSQGYCTGAGCM-SSDOTTSWSA-N 224.264 -0.258 50 20 BBGD CCc1n[nH]cc1C(=O)NN(C)[C@@H](C)CO 823971468 URNYREVTBPJALL-ZETCQYMHSA-N 226.280 -0.071 50 20 BBGD O=C(CO)NN=Cc1ccc(-c2nn[nH]n2)cc1 826415130 SFXFYRNKWBNDEQ-UHFFFAOYSA-N 246.230 -0.691 50 20 BBGD CO[C@](C)(C(=O)O)C(=O)NNc1ncccn1 852949233 WYNTTYFEYDQKRI-VIFPVBQESA-N 240.219 -0.591 50 20 BBGD O=C1CC[C@@H](C(=O)NN=C2CCOC2)N1 863149116 RNLYRSJHWJWCLL-ZETCQYMHSA-N 211.221 -0.843 50 20 BBGD CCC[C@@H](CC)C(=O)NNC(=O)CO 879395767 WPXNFCGIYXBRIM-SSDOTTSWSA-N 202.254 -0.048 50 20 BBGD C#CCN(C(=O)c1ccc(B(O)O)cc1)C(C)C 928623617 WNSLFDBIUMZBKO-UHFFFAOYSA-N 245.087 -0.150 50 20 BBGD Cn1cc(/C=C(\C#N)C(=O)NC/C=C\CO)cn1 1261751335 VAZWTWAYCHSSEY-PSRYSYJVSA-N 246.270 -0.008 50 20 BBGD Cn1nnc2cc(C=NNC(=O)CCO)ccc21 1318931941 SWOPIGJFCPXZMC-UHFFFAOYSA-N 247.258 -0.199 50 20 BBGD C[C@H](C#N)C(=O)NNC(=O)Cc1ccncc1 1318952900 GOBZJFOTTIVVFX-MRVPVSSYSA-N 232.243 -0.069 50 20 BBGD CCc1nn(C)cc1C(=O)NN(C)C[C@H](C)O 1334998878 XQWVHCMRTZEUSH-QMMMGPOBSA-N 240.307 -0.060 50 20 BBGD CNCC(=O)NNC(=O)Cc1ccccc1O 1573896192 HLAYDHULKKGIFN-UHFFFAOYSA-N 237.259 -0.699 50 20 BBGD COCCNC(=S)NNC(=O)c1ccc[nH]1 7011446 IKCUXFRBHZPKMO-UHFFFAOYSA-N 242.304 -0.230 50 20 BBGD COCC(=O)NNc1nccc(OC)n1 46363328 QKVVQJAIUISMKJ-UHFFFAOYSA-N 212.209 -0.425 50 20 BBGD COCCC1(C(=O)NNC(=O)CN(C)C)CC1 127029120 IVJBCSVDIXPGSG-UHFFFAOYSA-N 243.307 -0.488 50 20 BBGD C[C@H]1CC[C@@H](C(=O)NNC(=O)c2nc[nH]n2)O1 293809236 DJRZNRRPTUBSHH-WDSKDSINSA-N 239.235 -0.867 50 20 BBGD N#CCN1CCN(C(=O)CCl)CC1 306285740 FKBPUXVGONAGON-UHFFFAOYSA-N 201.657 -0.107 50 20 BBGD COC(=O)NNS(=O)(=O)N1CC[C@@H](C)C1 494436337 XLHVVJHOCDFFIW-ZCFIWIBFSA-N 237.281 -0.566 50 20 BBGD CCN(C)CCNCc1ccc(B(O)O)cc1 585020768 IRPKNHQIDMBQNZ-UHFFFAOYSA-N 236.124 -0.592 50 20 BBGD COC[C@H](C)[C@@H](C)NCc1ccc(B(O)O)o1 585043549 QVGGPXKZXBWZEB-DTWKUNHWSA-N 241.096 -0.280 50 20 BBGD OC[C@@H]1CCC[C@@H]1NCc1ccccc1B(O)O 585044491 KNVISIZDFMGHAV-AAEUAGOBSA-N 249.119 -0.383 50 20 BBGD O=C(NCB(O)O)c1cccnc1N1CCCC1 585059975 IDAWKQKZEUNYNB-UHFFFAOYSA-N 249.079 -0.576 50 20 BBGD CC(C)[C@@H](C(=O)N1CC[C@H](B(O)O)C1)N(C)C 585070326 VOZIZVFDHDSEIL-UWVGGRQHSA-N 242.128 -0.352 50 20 BBGD C#CCOCCC(=O)NNc1cccnn1 756773909 HLVPVZBQFRCPRQ-UHFFFAOYSA-N 220.232 -0.040 50 20 BBGD CO[C@@H](C(=O)NNC(=O)N(C)C)C(C)C 771288412 QPQLCHLHYVSACM-SSDOTTSWSA-N 217.269 -0.040 50 20 BBGD CCOC(=O)/C(C#N)=C/NCc1nnn(C)n1 775742795 QVZNZPYWHUQDJU-FNORWQNLSA-N 236.235 -0.730 50 20 BBGD CCN1C[C@@H](C(=O)NN(C)C2CC2)CC1=O 819645193 ARGGBHOHRIDCNF-QMMMGPOBSA-N 225.292 -0.020 50 20 BBGD O=C(NNC(=O)[C@H](O)C1CC1)C1CCC1 827209963 IMHHWPPXSZOSAX-MRVPVSSYSA-N 212.249 -0.295 50 20 BBGD O=C(CO)NNC(=O)[C@H]1CC2CCC1CC2 827894141 KYMBYLMFZGEXPN-HACHORDNSA-N 226.276 -0.048 50 20 BBGD C#C[C@@](C)(CC)NCC(=O)NNC(=O)C1CC1 852102425 XWUIWUKHKAQHMI-LBPRGKRZSA-N 237.303 -0.065 50 20 BBGD CNC(=S)N(C)NC(=O)CSCC#N 854926042 SXOQAVPGOPSFTQ-UHFFFAOYSA-N 232.334 -0.290 50 20 BBGD COC(=O)N(C)NC(=O)CCCCO 868240392 CHAVUFTVBLDQCA-UHFFFAOYSA-N 204.226 -0.122 50 20 BBGD CCOC(=O)[C@@H](C(=O)NNC(C)=O)C(C)C 873740043 XUSLGSQRTZBNBR-MRVPVSSYSA-N 230.264 -0.011 50 20 BBGD O=C(Cc1ncc[nH]1)NNc1ccncn1 1118835026 IJNQGIKLEWDZPJ-UHFFFAOYSA-N 218.220 -0.115 50 20 BBGD CC(=O)NNC(=O)[C@@]1(C)CCN(C(C)=O)C1 1261252822 ABZQYLRJNGRKNC-JTQLQIEISA-N 227.264 -0.588 50 20 BBGD C[C@@H](CO)N(C)NC(=O)C1(C#N)CCOCC1 1261911238 XOLYBKSDIMLLMD-VIFPVBQESA-N 241.291 -0.349 50 20 BBGD O=C(Cc1ccncc1)NNC(=O)[C@@H]1CCOC1 1319321945 WPJYAVPWZLSJTF-SNVBAGLBSA-N 249.270 -0.192 50 20 BBGD O=C(c1ccccn1)N1CC[C@@H](B(O)O)C1 1329215037 MROLRPRZGBKGSR-MRVPVSSYSA-N 220.037 -0.230 50 20 BBGD CN(C)C(=O)Cn1cnc(NC(=O)CCl)n1 1336912467 UTOOCEANKJMRLA-UHFFFAOYSA-N 245.670 -0.456 50 20 BBGD C[C@@H](NC(=O)c1cccc(B(O)O)c1)C(F)F 1468858887 ZZMALSHNHSEAIC-ZCFIWIBFSA-N 243.018 -0.250 50 20 BBGD CC(=O)CSCC(=O)NNC(=O)CCCN 1574979722 CEBLLLUZFINVHO-UHFFFAOYSA-N 247.320 -0.805 50 20 BBGD NC(=O)C(=O)N(CCCl)CCCl 100118005 PMZQAXDMEQCKDJ-UHFFFAOYSA-N 213.064 -0.222 50 20 BBGD CCNC(=O)NNC(=O)CNC(=O)C(C)(C)C 122944415 SUAAXRXGEZNTBM-UHFFFAOYSA-N 244.295 -0.501 50 20 BBGD COC(=O)CNS(=O)(=O)CBr 127031370 OUMFXNRXDIKQHQ-UHFFFAOYSA-N 246.082 -0.569 50 20 BBGD COC[C@H](CO)NS(=O)(=O)CCCCl 229357870 JJYBSMWCFSLEIG-ZETCQYMHSA-N 245.728 -0.458 50 20 BBGD Cc1ccc(C(=O)NNC(=O)[C@H](C)O)o1 276507677 KFMBDQPZVRGMNO-LURJTMIESA-N 212.205 -0.270 50 20 BBGD CO[C@@H](C)CC(=O)NNC(=O)C(=O)NC(C)C 749563799 QQIJZRYATGUMGY-ZETCQYMHSA-N 245.279 -0.917 50 20 BBGD CS/C=C/C(=O)NNC(=O)N1CCOCC1 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CN([C@@]1(CO)CCOC1)S(=O)(=O)CCl 867338909 UCBMFJAINPXEMY-SSDOTTSWSA-N 243.712 -0.404 50 20 BBGD CC(C)NC(=O)NNC(=O)[C@@H](C)N(C)C 874247724 XMWNCLIFJCSNFF-SSDOTTSWSA-N 216.285 -0.325 50 20 BBGD C=C[C@@](C)(O)CC(=O)NN(C)C[C@@H](C)O 910151908 HCFHJRJWJITVSD-PSASIEDQSA-N 216.281 -0.343 50 20 BBGD C#CCSCC(=O)NN(C)C[C@H](C)O 910183168 OCBOPOVKPGZVIV-QMMMGPOBSA-N 216.306 -0.303 50 20 BBGD Cn1c(O)nc2cc(C(=O)NN)ccc21 920288675 YEPLBVBVJXMQPZ-UHFFFAOYSA-N 206.205 -0.118 50 20 BBGD O=C(NNC(=O)C1CCC1)N[C@@H]1COC(=O)C1 923740607 RGAYJLJAPZORMR-ZETCQYMHSA-N 241.247 -0.568 50 20 BBGD CNC(=O)NNC(=O)CCn1ccccc1=O 1251228126 ZHRVQMIDZHIYTA-UHFFFAOYSA-N 238.247 -0.801 50 20 BBGD CCO/C=C(\C#N)C(=O)NCc1nc(=O)o[nH]1 1254032995 DYJMWSFDNOETHO-AATRIKPKSA-N 238.203 -0.577 50 20 BBGD CNC(=O)NNC(=O)c1cnc2[nH]cnc2c1 1319873101 GKEVFHXQIMPOFZ-UHFFFAOYSA-N 234.219 -0.468 50 20 BBGD O=C(CC1COC1)NNC(=O)C1CCC1 1331911967 ULKYZIWWYXEMHE-UHFFFAOYSA-N 212.249 -0.030 50 20 BBGD COCCN(C)NC(=O)Cc1nnc(N)s1 1352178990 NIYKYLDYZFYCBL-UHFFFAOYSA-N 245.308 -0.728 50 20 BBGD CCOCCC=NNC(=O)NCC(=O)O 1596905012 NBOQPHPSKGEHKU-UHFFFAOYSA-N 217.225 -0.217 50 20 BBGD C=C(CCC(=O)O)C(=O)NN(CC)CCO 1602783589 HVUNPHBELYOHPZ-UHFFFAOYSA-N 230.264 -0.247 50 20 BBGD COC(=O)[C@@H](Cl)CS(=O)(=O)O 1772508964 ZTROEXDHWOOFQB-VKHMYHEASA-N 202.615 -0.345 50 20 BBGD CCO[C@H]1CN(C(=O)CCl)C[C@@H]1O 409428126 FYTMUZCSUAHONM-BQBZGAKWSA-N 207.657 -0.167 50 20 BBGD NNC(=O)c1n[nH]c(Br)n1 575624211 SERURHLFZYJKIP-UHFFFAOYSA-N 206.003 -0.829 50 20 BBGD OB(O)c1ccc(OCCC2(O)CC2)cc1 584909456 DQOBLPPGQMXWLB-UHFFFAOYSA-N 222.049 -0.340 50 20 BBGD OB(O)c1cccc(CNC(CF)CF)c1 585043394 LJEPPBVPJNVJLW-UHFFFAOYSA-N 229.035 -0.236 50 20 BBGD CC(C)c1cc(C(=O)NCB(O)O)on1 585060392 PYUIJULUGXQQLD-UHFFFAOYSA-N 212.014 -0.460 50 20 BBGD COCCOC(=O)/C(C#N)=C\c1cnnn1C 751031688 BGBUVZLPPWJIPW-YVMONPNESA-N 236.231 -0.088 50 20 BBGD O=C(NNC(=O)C1CC1)c1ccc2nn[nH]c2n1 753767560 ATIBYAFEWHMGBO-UHFFFAOYSA-N 246.230 -0.476 50 20 BBGD O=C(NNC(=O)c1ccnnc1)c1ccncc1 761175705 CQORUSOOLZBDLD-UHFFFAOYSA-N 243.226 -0.054 50 20 BBGD CN(C)CC(=O)NNC(=O)[C@@H]1CCSC1 762521859 BCBRFECUVXUTRE-SSDOTTSWSA-N 231.321 -0.552 50 20 BBGD CC(C)C(=O)NNC(=O)CN1CCC[C@@H]1CO 767178673 FZRTVNHJQWBZDL-SECBINFHSA-N 243.307 -0.754 50 20 BBGD O=C(CO)NN=Cc1cnc(N2CCCC2)nc1 776782700 HSWTVWRIPYJXSO-UHFFFAOYSA-N 249.274 -0.481 50 20 BBGD CCNC(=O)N(C)NC(=O)CCn1cncn1 780709072 LWFUVYPDFKAGNZ-UHFFFAOYSA-N 240.267 -0.639 50 20 BBGD Cc1sccc1C=NNC(=O)C(N)=O 814696994 TUIUMESMYRJRJA-UHFFFAOYSA-N 211.246 -0.008 50 20 BBGD C[C@H](CC(=O)O)C(=O)NNC(=O)N(C)C 827304152 PRTRGNKHEMOUFP-RXMQYKEDSA-N 217.225 -0.600 50 20 BBGD COCCN(C)NC(=O)[C@@H]1CCCN1C 837623567 LHMQAVCTOFJLKB-VIFPVBQESA-N 215.297 -0.310 50 20 BBGD CCOCC(=O)NNC(=O)c1cc[nH]n1 855361866 KMMJIPCGHPPHIR-UHFFFAOYSA-N 212.209 -0.793 50 20 BBGD C[C@@H]1CC(=NNC(=O)CS(C)(=O)=O)CO1 863183626 JCFZKWITKFCMMT-ZCFIWIBFSA-N 234.277 -0.688 50 20 BBGD COCCOCC(=O)NN=Cc1ncc[nH]1 872402539 HGTVMAGXLLJQBX-UHFFFAOYSA-N 226.236 -0.477 50 20 BBGD CN1CCC(C(=O)NN(C)C(N)=O)CC1 1116492541 NJESMTQQWUYNIR-UHFFFAOYSA-N 214.269 -0.630 50 20 BBGD NC(=O)C(=O)NN=C1CCCc2scnc21 1118889674 QCGXIFOQCCJBDJ-UHFFFAOYSA-N 238.272 -0.215 50 20 BBGD CNC(=S)N(C)NC(=O)C1(C(=O)O)CC1 1604249642 OPLRMDGMWBYQEE-UHFFFAOYSA-N 231.277 -0.682 50 20 BBGD O=C(CO)NN=Cc1ccc(C(=O)O)nc1 1776052733 MOXKDLHQEBNAQK-UHFFFAOYSA-N 223.188 -0.778 50 20 BBGD CCOCC(=O)NNC(=O)NC1CC1 68270204 DJTDROSNTGZWAW-UHFFFAOYSA-N 201.226 -0.484 50 20 BBGD Cc1cn(-c2ccc(B(O)O)s2)cn1 238550894 HWMVSKPBGUWYSA-UHFFFAOYSA-N 208.051 -0.078 50 20 BBGD CC(=O)N1CC(C(=O)NNC(=O)C2CC2)C1 276264215 IXAGGZPHCMOONK-UHFFFAOYSA-N 225.248 -0.978 50 20 BBGD OB(O)c1ccc(CN[C@@H]2CC[C@@H]3C[C@@H]32)o1 585042137 JOCIMSDLGDUQEN-FKTZTGRPSA-N 221.065 -0.153 50 20 BBGD C=CCC[C@H](CO)NCc1ccc(B(O)O)o1 585044170 ACUZMWYVEIIOAO-SECBINFHSA-N 239.080 -0.624 50 20 BBGD O=C(NCB(O)O)c1cnn(-c2ccccc2)n1 585057478 FLNLCYXNWACSNJ-UHFFFAOYSA-N 246.035 -0.991 50 20 BBGD CNC(=O)NNS(=O)(=O)c1ccsc1 795303474 PGYKJBLAGLZJHA-UHFFFAOYSA-N 235.290 -0.130 50 20 BBGD COc1cccc(NNC(=O)c2cnnn2C)n1 798988891 KZRXKXBOVOTBSD-UHFFFAOYSA-N 248.246 -0.024 50 20 BBGD Cc1oc(C(C)C)nc1C(=O)NNC(=O)CO 807195427 FMGZVJPIUBMQLU-UHFFFAOYSA-N 241.247 -0.140 50 20 BBGD CNC(=O)NNC(=O)CCOCCCOC 823425458 VDJIMFYWWIOJAV-UHFFFAOYSA-N 233.268 -0.610 50 20 BBGD C=C(CO)C(=O)NNC(=O)[C@H]1CCO[C@H]1C 843972605 VEKCJKCKVREVKG-YUMQZZPRSA-N 228.248 -0.893 50 20 BBGD COC(=O)N(C)NC(=O)NC[C@H]1COCCO1 875128832 KOURUFJFJKKWIX-ZETCQYMHSA-N 247.251 -0.686 50 20 BBGD CCCNC(=O)NNC(=O)[C@@H]1[C@H]2CCC(=O)[C@H]21 906426703 SQCFIDPJVLCYMK-CNUIFLNQSA-N 239.275 -0.048 50 20 BBGD C[C@@H](O)CN(C)NC(=O)c1ccc2nc[nH]c2n1 910156954 ZMIXKFHVLYXYBF-SSDOTTSWSA-N 249.274 -0.085 50 20 BBGD C=CCCOCC(=O)NNC(=O)NCC 920857487 ONABUZDCIQXGEF-UHFFFAOYSA-N 215.253 -0.071 50 20 BBGD CCCNC(=O)NNC(=O)[C@](C)(O)CC 930790729 BBQBIEXDNNRISX-SECBINFHSA-N 217.269 -0.112 50 20 BBGD Cn1cncc1CCC(=O)NNC(=O)C1CC1 1320695343 DNPXNEDMJDSBCX-UHFFFAOYSA-N 236.275 -0.090 50 20 BBGD COC(=O)C(=O)NN=C1C[C@@H](C)O[C@H]1C 1325317567 CQGGZJTYRLAKCE-RITPCOANSA-N 214.221 -0.171 50 20 BBGD O=C(NNc1ncc(F)cn1)c1nc[nH]n1 1336205572 RQNMFIDXHNKBPY-UHFFFAOYSA-N 223.171 -0.509 50 20 BBGD CC(C)NC(=O)C(=O)NN=Cc1cn(C)cn1 1344414592 AYYCKZNQSNCSDR-UHFFFAOYSA-N 237.263 -0.605 50 20 BBGD CC1(C(=O)NNc2ccncn2)COC1 1353698122 BECRFHKJQIJSMU-UHFFFAOYSA-N 208.221 -0.044 50 20 BBGD CNC(=O)NNC(=O)c1c2c(nn1C)CCC2 1353989604 KZNMQPMACKIOMZ-UHFFFAOYSA-N 237.263 -0.517 50 20 BBGD CCNC(=O)NNC(=O)Cn1nc(C)cc1C 29402575 MSQVSKWGVPGQAE-UHFFFAOYSA-N 239.279 -0.150 50 20 BBGD CC[C@H](C(=O)NN(C)C(N)=O)C(=O)OC 276834714 OYWOLTDJDJKNSB-RXMQYKEDSA-N 217.225 -0.773 50 20 BBGD CN1CCC[C@H](NS(=O)(=O)CCl)C1=O 704344104 JRQRADGNDLRRBA-LURJTMIESA-N 240.712 -0.277 50 20 BBGD CNC(=O)NNC(=O)CCCN(C)C(=O)O 737543909 VTJPCVKJPJZUJC-UHFFFAOYSA-N 232.240 -0.663 50 20 BBGD CC(C)C(=O)NNC(=O)COC[C@@H]1CCCO1 746385348 ALXXPIMZUIGMQV-VIFPVBQESA-N 244.291 -0.015 50 20 BBGD C#CC(=O)NNC(=O)c1ccc(C#N)cc1 753978089 VFGGTHYKVFGNTQ-UHFFFAOYSA-N 213.196 -0.048 50 20 BBGD O=C(CO)NN=Cc1ccc(O)c(O)c1O 776779704 PSTNCCULMHBFRR-UHFFFAOYSA-N 226.188 -0.754 50 20 BBGD C[C@H]1OCC[C@H]1C(=O)NN(C)C(N)=O 778419003 YSUBGJMWVLJLPG-PHDIDXHHSA-N 201.226 -0.547 50 20 BBGD COc1cccc(C=NNC(=O)C(N)=O)c1F 799864288 CBVNKMGRFNFUFN-UHFFFAOYSA-N 239.206 -0.230 50 20 BBGD C[C@@H](CO)N(C)NC(=O)c1ccnnc1 823946358 IBRBENILHPJALF-ZETCQYMHSA-N 210.237 -0.566 50 20 BBGD C#C[C@H](C)NC(=O)NNC(=O)[C@@H]1CCO[C@H]1C 826531551 NNMICTSUURALAK-XHNCKOQMSA-N 239.275 -0.237 50 20 BBGD CCO[C@@H]1COC[C@H]1NS(=O)(=O)CCl 832621387 UBDBOQCTAUNNLV-RNFRBKRXSA-N 243.712 -0.094 50 20 BBGD CC(C)OCC(=O)NNC(=O)c1cc[nH]n1 855359131 GRBMWHJQAHJPHC-UHFFFAOYSA-N 226.236 -0.404 50 20 BBGD CC(=NNC(=O)[C@@H]1CCC(=O)N1)c1ccnn1C 863152044 COHDAEGEQKTZQA-QMMMGPOBSA-N 249.274 -0.461 50 20 BBGD C[C@@H](O)CN(C)NC(=O)[C@@H](O)c1cccnc1 910154022 BOLFIKCJDMONQH-SCZZXKLOSA-N 239.275 -0.541 50 20 BBGD CNC(=O)NNC(=O)[C@@H](O)c1ccccn1 1321293343 WGBPMFXEAGHUFB-ZETCQYMHSA-N 224.220 -0.925 50 20 BBGD C[C@H](CO)N(C)NC(=O)CCn1ccnn1 1329806563 MGFMHFHHOYJAFJ-MRVPVSSYSA-N 227.268 -0.988 50 20 BBGD C[C@H](O)CN(C)NC(=O)CSCC#N 1332629583 UJZZXFVBOQGWMP-ZETCQYMHSA-N 217.294 -0.413 50 20 BBGD CCN(CCO)NC(=O)[C@@]1(F)CCOC1 1348956949 YSWBXQAFNTYIOB-SECBINFHSA-N 220.244 -0.540 50 20 BBGD N[C@H](CO)C(=O)NNc1ccc(F)cc1 1574263306 CTSBHERQRKVNFR-MRVPVSSYSA-N 213.212 -0.412 50 20 BBGD CC(=O)NNC(=O)CCc1c(N)cnn1C 1575015843 YVZKEWSGUWULHA-UHFFFAOYSA-N 225.252 -0.898 50 20 BBGD C=C[C@@H](NNC(=O)[C@@H]1CC[C@H](C)O1)C(=O)O 1588701312 PRRUDXCQQUUXLE-RNJXMRFFSA-N 228.248 -0.186 50 20 BBGD C[C@@H](CC(=O)O)C(=O)NNc1cnnn1C 1592360253 QDGZQQHPZAZOGU-YFKPBYRVSA-N 227.224 -0.631 50 20 BBGD Cn1cc(C(=O)NNC(=O)c2ccncc2)cn1 72776713 MAGATOXDFZKKMW-UHFFFAOYSA-N 245.242 -0.110 50 20 BBGD CN(C)C(=O)NCCNC(=O)CCl 132271351 XSRKZXVTDQFSQO-UHFFFAOYSA-N 207.661 -0.387 50 20 BBGD O=C(CO)NNC(=O)[C@@H]1Cc2ccccc2O1 182747062 SPIPZJOINAQVPY-VIFPVBQESA-N 236.227 -0.870 50 20 BBGD CO[C@H]1CN(S(=O)(=O)CCl)C[C@H]1OC 234812791 NYSJUMJIOVXNFU-KNVOCYPGSA-N 243.712 -0.142 50 20 BBGD COC(=O)NNC(=O)C(C)(C)OC(C)=O 289171451 XLQCOMDWZHCOQX-UHFFFAOYSA-N 218.209 -0.285 50 20 BBGD C[C@H]1CC(=O)NCCN1C(=O)CCl 306436820 DSPVKYACIWAUBD-LURJTMIESA-N 204.657 -0.038 50 20 BBGD CN(NC(=O)c1cscn1)C(N)=O 307757050 JTHQYRYRZDHYLQ-UHFFFAOYSA-N 200.223 -0.202 50 20 BBGD O=C(c1ccc(B(O)O)cc1)N1CCCOC1 584988245 IWSDAQJHXLQQBA-UHFFFAOYSA-N 235.048 -0.814 50 20 BBGD C[C@H](CCO)CNCc1cccc(B(O)O)c1 585027653 WYEZXNFYMAXRCF-SNVBAGLBSA-N 237.108 -0.526 50 20 BBGD C=CCC[C@@H](CO)NCc1ccc(B(O)O)cc1 585044293 DWZGCLUXWVJHCS-ZDUSSCGKSA-N 249.119 -0.217 50 20 BBGD CCCCO[C@H](C)C(=O)NCB(O)O 585061899 LQXUXUXMGLHRBG-SSDOTTSWSA-N 203.047 -0.680 50 20 BBGD O=C([C@H]1CCCS1)N1CC[C@H](B(O)O)C1 585066111 LHUTXKXSKDFPRP-JGVFFNPUSA-N 229.110 -0.043 50 20 BBGD C[C@H](OCC1CC1)C(=O)N1CC[C@H](B(O)O)C1 585075271 FXURYXBBGRFWTJ-WPRPVWTQSA-N 241.096 -0.123 50 20 BBGD CO[C@H](C)C(=O)NNC(=O)Cc1ccncc1 747323357 WWRVIWIQIKRQJT-MRVPVSSYSA-N 237.259 -0.194 50 20 BBGD CC(C)C(=O)NNC(=O)[C@H](C)N(C)C 750606081 IRIATMBACZQBCU-ZETCQYMHSA-N 201.270 -0.260 50 20 BBGD CCN(CCO)NC(=O)CCn1cccn1 823841281 GMDGMNATEGIXAO-UHFFFAOYSA-N 226.280 -0.381 50 20 BBGD CC(C)(O)C(=O)NNC(=O)[C@@H]1CCC(=O)C1 843863144 CYDDKKWDEKDBFQ-ZCFIWIBFSA-N 228.248 -0.726 50 20 BBGD CC[C@H](C#N)C(=O)NNC(=O)C(C)(C)O 845993179 XFLJPWYUHXNFBW-ZCFIWIBFSA-N 213.237 -0.546 50 20 BBGD CCNC(=O)CCCC(=O)NN(C)C[C@H](C)O 910165873 PICUBBKUTFOOMY-VIFPVBQESA-N 245.323 -0.363 50 20 BBGD O=C1CC[C@H](C(=O)NNC(=O)c2ccncc2)N1 1115812322 ZGISRZZBMLDTDY-MRVPVSSYSA-N 248.242 -0.879 50 20 BBGD CNC(=O)NNC(=O)c1ccncc1F 1116126351 QBBVMBAWZBBCHU-UHFFFAOYSA-N 212.184 -0.206 50 20 BBGD C[C@@H](NNC(=O)Cc1nc[nH]n1)C(F)(F)F 1261878173 FMODUQZEUAONAR-SCSAIBSYSA-N 237.185 -0.081 50 20 BBGD CC(F)(F)C1(C(=O)NNC(=O)CO)CC1 1328990550 QUFAOXLRPIXTCL-UHFFFAOYSA-N 222.191 -0.439 50 20 BBGD C[C@H](C(=O)N1CC[C@H](B(O)O)C1)N(C)C 1331983928 JSMKMFSVIGGSIX-SFYZADRCSA-N 214.074 -0.988 50 20 BBGD CC(=O)NCC(=O)NNC(=O)CC1CC1 1344351441 LZTNQPBBXFYDLA-UHFFFAOYSA-N 213.237 -0.930 50 20 BBGD C=C(CC)C(=O)NNC(=O)CN1CCCC1=O 1347151913 UIGQOGWCTGPYQD-UHFFFAOYSA-N 239.275 -0.278 50 20 BBGD O=C(NCC1CC=CC1)NNC(=O)C(=O)O 1601480211 JPWDMJJBDIEAEU-UHFFFAOYSA-N 227.220 -0.632 50 20 BBGD C[C@@H](O)c1ncc(C=NNC(=O)C(=O)O)s1 1604389594 XFDYCGFFXAAQKQ-SCSAIBSYSA-N 243.244 -0.269 50 20 BBGD COc1ccc(C=NNC(=O)C(N)=O)cc1 254734959 QCBAMRDAYNQQGN-UHFFFAOYSA-N 221.216 -0.369 50 20 BBGD CCOC(=O)NCC(=O)NNC(=O)C1CCC1 264925515 LTEBGXNHUNNSNJ-UHFFFAOYSA-N 243.263 -0.320 50 20 BBGD C[C@@H]1C[C@H](O)CN1S(=O)(=O)CCl 307626948 LCBPQSJCQTZDAE-RITPCOANSA-N 213.686 -0.032 50 20 BBGD CC1(CNCc2ccccc2B(O)O)COC1 585023353 GKGZYEDKDGFPMT-UHFFFAOYSA-N 235.092 -0.508 50 20 BBGD Cc1cc2c(cc1C)[C@H](C(=O)NCB(O)O)CO2 585062560 JOKSUFSSJFUFKN-SNVBAGLBSA-N 249.075 -0.092 50 20 BBGD CCC(=O)NNC(=O)[C@H](C)SCC(=O)OC 735414547 BTNSNBKIFGVABV-LURJTMIESA-N 248.304 -0.162 50 20 BBGD COCCn1ccc(NC(=O)NNC(C)=O)n1 753935194 HQAXSUJVAISDOF-UHFFFAOYSA-N 241.251 -0.298 50 20 BBGD O=C(NNc1ncccn1)[C@@]1(O)CCSC1 765601768 FAYKRRCQOQQNQZ-SECBINFHSA-N 240.288 -0.212 50 20 BBGD CC(C)[C@@](C)(O)C(=O)NNC(=O)N(C)C 771289299 VDQVWDUTBGAMJD-SECBINFHSA-N 217.269 -0.304 50 20 BBGD CC(C)(O)C(=O)NNC(=O)CC1(O)CCCC1 787950530 NCIPETGYIZEIEF-UHFFFAOYSA-N 244.291 -0.400 50 20 BBGD CC[C@H](C)[C@H](OC)C(=O)NNC(=O)CO 795240031 XGMHLYPGQGFXLT-XPUUQOCRSA-N 218.253 -0.813 50 20 BBGD CC(=O)NNC(=O)[C@@H]1O[C@H](C)C[C@@H]1C 800320483 BLZJFECOHASHST-SHYZEUOFSA-N 200.238 -0.033 50 20 BBGD CCNC(=O)NNC(=O)[C@@H](O)C(C)C 813423840 ALVKWXQRILRTSD-LURJTMIESA-N 203.242 -0.646 50 20 BBGD Cn1cc(C(=O)NN=C2COCCOC2)cn1 814852047 HJIYPPUNAPQURE-UHFFFAOYSA-N 238.247 -0.447 50 20 BBGD CN(C)C(=O)NNC(=O)[C@@H](O)C1CC1 824627233 KODQFFUYGONKRN-LURJTMIESA-N 201.226 -0.940 50 20 BBGD CNC(=O)NNC(=O)[C@H](C)CC(=O)O 831000661 KFDUZTUFGVDDPP-SCSAIBSYSA-N 203.198 -0.943 50 20 BBGD CNC(=S)N(C)NC(=O)[C@H](C)N(C)C 854924890 WFLJPCBLCAAWML-LURJTMIESA-N 218.326 -0.596 50 20 BBGD CCOCC(=O)NNC(=O)C1CCOCC1 1119496561 QPGTXJPXQNNHBV-UHFFFAOYSA-N 230.264 -0.403 50 20 BBGD NNC(=O)C1CCC(N2CCOCC2)CC1 1263104800 UQTAIQUEMSEWDV-UHFFFAOYSA-N 227.308 -0.133 50 20 BBGD CS(=O)(=O)CC(=O)NNc1ncc(F)cn1 1319570196 OTJITFUFQWHAML-UHFFFAOYSA-N 248.239 -0.897 50 20 BBGD CN(NC(=O)c1cnc2c(c1)nnn2C)C(N)=O 1320253248 RNOVXEGQISCFAA-UHFFFAOYSA-N 249.234 -0.981 50 20 BBGD CC(C)C(=O)NNC(=O)CCS(C)(=O)=O 1321995311 RLYBKFHXGIJPND-UHFFFAOYSA-N 236.293 -0.776 50 20 BBGD CCO[C@@H]1CC(=NNC(=O)CCO)[C@H]1OC 1325351452 ZABBIYBJSRIQFU-PSASIEDQSA-N 230.264 -0.335 50 20 BBGD C[C@@H](C(=O)NNC(=O)CC1CC1)S(C)(=O)=O 1327912502 ABCBQZNGGPJDBF-LURJTMIESA-N 248.304 -0.633 50 20 BBGD C#CCO[C@@H](C)C(=O)NNc1cnnn1C 1329008045 FSAKRGBOHOFRKO-ZETCQYMHSA-N 223.236 -0.704 50 20 BBGD COCCN(C)NC(=O)CCCc1nn[nH]n1 1329806781 OUWMYZDHLKLEDG-UHFFFAOYSA-N 242.283 -0.868 50 20 BBGD C[C@H](CO)N(C)NC(=O)c1cnn2ccncc12 1330261622 NOIRJYHQULCFOQ-MRVPVSSYSA-N 249.274 -0.313 50 20 BBGD CCN(CCO)NC(=O)C[C@H]1CCOC1 1330880010 OSLBIDYDXLPIQM-SECBINFHSA-N 216.281 -0.242 50 20 BBGD C[C@H](CO)N(C)NC(=O)CCc1ccon1 1332365590 HDVLVEJFIHSYHU-MRVPVSSYSA-N 227.264 -0.049 50 20 BBGD CN(NC(=O)c1cc2ncccn2n1)C(N)=O 1335489522 FDMCATIAWMQFJC-UHFFFAOYSA-N 234.219 -0.615 50 20 BBGD CNNC(=O)Cc1nc(C2CCOCC2)n[nH]1 1578744341 DRAAHXIPVXJIPZ-UHFFFAOYSA-N 239.279 -0.508 50 20 BBGD C[C@H](O)CN(C)NC(=O)[C@H](C)C(=O)O 1589151766 BNKAQSCIXQOONB-WDSKDSINSA-N 204.226 -0.949 50 20 BBGD C[C@@H](CC(=O)O)C(=O)NNC(=O)[C@H]1CCCO1 1592360392 WUPBPTLDZPNFAI-NKWVEPMBSA-N 244.247 -0.576 50 20 BBGD COC(=O)N(C)NC(=O)[C@@](C)(OC)C(=O)O 1593856017 SDAMIYWZLAGWLP-MRVPVSSYSA-N 234.208 -0.795 50 20 BBGD CC[C@H](NNC(=O)c1cn[nH]c1)C(=O)O 1595306126 UOVGODFTVRAGFP-LURJTMIESA-N 212.209 -0.493 50 20 BBGD O=C(O)C1(C(=O)NNc2ccncn2)CC1 1601703173 WZMWUVIAXLTPCN-UHFFFAOYSA-N 222.204 -0.216 50 20 BBGD CCNC(=O)N(C)NC(=O)[C@@H]1C[C@@H]1C(=O)O 1605493318 ROMVDVXXLSWNDU-RITPCOANSA-N 229.236 -0.600 50 20 BBGD Cc1cc(C)nc(NNC(=O)CCN)n1 269116823 YTLWYIHWKWIVPX-UHFFFAOYSA-N 209.253 -0.115 50 20 BBGD CNc1nc(C)cc(C(=O)NNC(=O)C2CC2)n1 280750290 KYOUUJLVUGKXNE-UHFFFAOYSA-N 249.274 -0.002 50 20 BBGD COC(=O)N(C)NC(=O)[C@@H](O)CCSC 286266341 HWBGILHBIJEYGY-LURJTMIESA-N 236.293 -0.170 50 20 BBGD COCC(C)(C)C(=O)NNc1nnc[nH]1 294003119 SVTNZIKSBADVSU-UHFFFAOYSA-N 213.241 -0.080 50 20 BBGD COC(=O)N(C)NC(=O)[C@@H]1CCCN1C 496815019 MKFFRSPXFYTLEP-ZETCQYMHSA-N 215.253 -0.190 50 20 BBGD C[C@@H](C#N)CNC(=O)c1ccc(B(O)O)cc1 584941892 MXUUGZCVTKHZDS-QMMMGPOBSA-N 232.048 -0.744 50 20 BBGD CC(C)(O)CCNCc1ccccc1B(O)O 585036494 LHGPAQBXXAHWPH-UHFFFAOYSA-N 237.108 -0.383 50 20 BBGD CCCCC[C@@H](O)CC(=O)NCB(O)O 585060797 YWPQZMQMCLMFMF-MRVPVSSYSA-N 217.074 -0.554 50 20 BBGD O=C(NCB(O)O)c1cccc2ncccc12 585061297 OWDXSTFAIXCTBZ-UHFFFAOYSA-N 230.032 -0.023 50 20 BBGD CCc1ccc(O)c(C(=O)NCB(O)O)c1 585062457 IIIVNBKCZNGYGI-UHFFFAOYSA-N 223.037 -0.304 50 20 BBGD Cn1ccc(C(=O)NNC(=O)c2cccn2C)n1 727367510 SWHCGNRYOBLDFK-UHFFFAOYSA-N 247.258 -0.167 50 20 BBGD CC[C@H]1CC[C@@H](C(=O)NNC(=O)C(C)(C)O)O1 768247133 LMLSVEPFGFJOJY-YUMQZZPRSA-N 244.291 -0.138 50 20 BBGD Cn1cc(C(=O)NNC(=O)c2ccncn2)cn1 777673110 QNKOXLWKKFIRJK-UHFFFAOYSA-N 246.230 -0.715 50 20 BBGD Cc1c[nH]cc(C(=O)NN(C)C(N)=O)c1=O 778412887 TWXIYVBBOBNTPZ-UHFFFAOYSA-N 224.220 -0.661 50 20 BBGD C[C@H]1OCC[C@@H]1C(=O)NNc1nc[nH]n1 816633834 OIHQQVGJWZNQQJ-RITPCOANSA-N 211.225 -0.327 50 20 BBGD CCN(CCO)NC(=O)[C@@]1(CC)CCNC1=O 823829798 XTUXSVMUOQLEEM-NSHDSACASA-N 243.307 -0.752 50 20 BBGD Cc1nocc1C(=O)NN(C)[C@@H](C)CO 823912795 LNBOJIROBHHLRT-LURJTMIESA-N 213.237 -0.060 50 20 BBGD CC(C)[C@@H](O)C(=O)NN(C)[C@H](C)CO 823923758 UZCYCKHAJHKDBF-HTQZYQBOSA-N 204.270 -0.653 50 20 BBGD CCO/C=C(/C#N)C(=O)N1CC=C(N)N1 829836998 WBKBJDJMHDFTCI-SREVYHEPSA-N 208.221 -0.423 50 20 BBGD O=C(NNC(=O)[C@H]1CCSC1)c1cc[nH]n1 855358042 YWFNUQYYTRMYJG-LURJTMIESA-N 240.288 -0.076 50 20 BBGD CC(=O)C[C@H](C)NC(=O)c1ccc(B(O)O)cc1 863876178 PMXYUCXRDARUJE-QMMMGPOBSA-N 249.075 -0.536 50 20 BBGD O=C(NC[C@@H]1COCO1)NNC(=O)C1CCC1 923857259 VJQHJJSZEFLZBQ-MRVPVSSYSA-N 243.263 -0.510 50 20 BBGD Cn1cnc(C(=O)NNc2ccccn2)n1 1117678280 ACYNNWUWBADHMQ-UHFFFAOYSA-N 218.220 -0.033 50 20 BBGD Cn1nncc1NNC(=O)[C@@H]1CCCO1 1117723803 NJPKOGFHVCWUHM-LURJTMIESA-N 211.225 -0.563 50 20 BBGD CC(C)(C)C(=O)NNC(=O)c1n[nH]c(O)n1 1319372700 NUSOIMIGPIMLRU-UHFFFAOYSA-N 227.224 -0.683 50 20 BBGD CCn1ccnc1C=NNC(=O)CCO 1319495644 KALSMQKLEHJMEI-UHFFFAOYSA-N 210.237 -0.265 50 20 BBGD Cc1nnc(CC(=O)NN(C)C(N)=O)s1 1328651967 GTURNDLPPUEUDF-UHFFFAOYSA-N 229.265 -0.569 50 20 BBGD C[C@H](CO)N(C)NC(=O)c1cccc[n+]1[O-] 1352229454 KAOLNIAFEZKGRC-MRVPVSSYSA-N 225.248 -0.723 50 20 BBGD NNC(=O)Cc1ccn(CC(F)(F)F)n1 1357443026 CRLZEFYXFGJLBF-UHFFFAOYSA-N 222.170 -0.022 50 20 BBGD Cc1oc2nc[nH]c(=O)c2c1C(=O)NN 36962731 GOGQGIBYGXACDY-UHFFFAOYSA-N 208.177 -0.572 50 20 BBGD CNC(=O)NNC(=O)CC[C@H]1CCCO1 48950654 HUJKHQZXJPBYNY-SSDOTTSWSA-N 215.253 -0.094 50 20 BBGD CN(C)CC(=O)NNC(=O)C1CC=CC1 77613956 VKPMVEGLQSWRRM-UHFFFAOYSA-N 211.265 -0.338 50 20 BBGD CCOC(=O)NCC(=O)NNc1cnccn1 265163879 NDWNWTXMFBJVCB-UHFFFAOYSA-N 239.235 -0.334 50 20 BBGD CO[C@@H]1CN(C(=O)CCCl)C[C@H]1O 396132009 IXSNECFDGFZWOM-RNFRBKRXSA-N 207.657 -0.167 50 20 BBGD C[C@@H]1C[C@H](NC(=O)c2ccc(B(O)O)cc2)CO1 585003029 GARMDAXNULTZDU-KCJUWKMLSA-N 249.075 -0.726 50 20 BBGD COc1ccc(CC(=O)NCB(O)O)cc1F 585061007 NTXNTLGTGVIBLK-UHFFFAOYSA-N 241.027 -0.495 50 20 BBGD Cc1ccc(C(=O)NCB(O)O)c(Cl)n1 585061298 VMNCEEHMCWUQLL-UHFFFAOYSA-N 228.444 -0.215 50 20 BBGD Cc1cc(N2CC[C@H](B(O)O)C2)n2ncnc2n1 585073716 ODOFCQABKKSABN-QMMMGPOBSA-N 247.067 -0.514 50 20 BBGD CNC(=O)NNC(=O)[C@](C)(O)C(C)C 771263656 AVGUZGICFNNBDY-MRVPVSSYSA-N 203.242 -0.646 50 20 BBGD CNC(=O)NNC(=O)c1ccc2cccnn12 777851497 SWAZGRVPDPTCDR-UHFFFAOYSA-N 233.231 -0.092 50 20 BBGD CC(CS(C)(=O)=O)=NNC(=O)C(C)(C)O 785458226 RAFFVACKBNZDEY-UHFFFAOYSA-N 236.293 -0.706 50 20 BBGD C[C@@H](O)C(=O)NNc1nc(-c2ccncc2)no1 786861927 KEVGYJMSSIINPJ-ZCFIWIBFSA-N 249.230 -0.045 50 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CCC(F)(F)C(=O)NNC(=O)[C@H]1CCC(=O)N1 862463304 AIJCAULKBFMPCD-RXMQYKEDSA-N 249.217 -0.542 50 20 BBGD CCn1nccc1C=NNC(=O)[C@@H]1CCC(=O)N1 863147185 AKSUJTSYTJZPAW-VIFPVBQESA-N 249.274 -0.368 50 20 BBGD CC1(C)[C@@H](C(=O)O)[C@@H]1C(=O)NNC(=O)C1CC1 872831849 VUIZQOMVSFGEFE-RNFRBKRXSA-N 240.259 -0.099 50 20 BBGD CN(NC(=O)[C@@H]1[C@H]2CCC(=O)[C@@H]21)C(N)=O 907187197 OBVUGCYAWRJLRH-UBKIQSJTSA-N 211.221 -0.747 50 20 BBGD COCCN(C)NC(=O)Cc1cnc[nH]1 908114793 KUJLGGKTEZFQCD-UHFFFAOYSA-N 212.253 -0.438 50 20 BBGD C[C@@H](O)CN(C)NC(=O)[C@@H](O)C1CCC1 910150913 WQARSMQANDBZNI-APPZFPTMSA-N 216.281 -0.509 50 20 BBGD C[C@@H](O)CN(C)NC(=O)[C@@]1(O)CCSC1 910155205 KWCXMSKUGIGVHP-VXNVDRBHSA-N 234.321 -0.802 50 20 BBGD C[C@H](C(=O)NNC(=O)c1ccc[nH]1)n1cncn1 914602989 GEYOMUOZPKNFTL-SSDOTTSWSA-N 248.246 -0.372 50 20 BBGD CN(NC(=O)CC1CCOCC1)C(N)=O 1323345219 BVCCRRUBSSGSLN-UHFFFAOYSA-N 215.253 -0.155 50 20 BBGD CCN(CCO)NC(=O)Cc1nnc(C)o1 1330260305 CJLZFWBEKAHLDZ-UHFFFAOYSA-N 228.252 -0.734 50 20 BBGD COC(=O)C(=O)NN=C1C[C@@H](C)N(C)C1 1333095021 ZBBQYJQRNVZLBM-ZCFIWIBFSA-N 213.237 -0.644 50 20 BBGD C[C@H](O)CN(C)NC(=O)C(=O)c1cccn1C 1339540368 UEKWYNSQYGMANT-QMMMGPOBSA-N 239.275 -0.448 50 20 BBGD Cc1noc(CCC(=O)NN(C)C[C@H](C)O)n1 1350778090 IJPDJCLDFLCGKQ-ZETCQYMHSA-N 242.279 -0.346 50 20 BBGD NCCNC(=O)NN=c1cc[nH]c2cccnc12 1574278219 OPABAXYNZWPFRN-UHFFFAOYSA-N 246.274 -0.364 50 20 BBGD COCCN(C)NC(=O)CN(C)C(=O)OC 496471985 GKBSWGKVAPGRCF-UHFFFAOYSA-N 233.268 -0.706 50 20 BBGD CCC[C@@H](C)CS(=O)(=O)NCB(O)O 585055762 ISABCJNUVJTMRV-SSDOTTSWSA-N 223.103 -0.646 50 20 BBGD CC[C@H](C(=O)NNC(=O)C1CC1)N(C)C 764395410 JRNCMIDIMLIVFR-MRVPVSSYSA-N 213.281 -0.116 50 20 BBGD CCC(=O)NNC(=O)[C@H](C)N[C@@H](CO)C1CC1 771805504 HJNPRDDMWVROTN-CBAPKCEASA-N 243.307 -0.707 50 20 BBGD CN(C)CC(=O)NNC(=O)C1(F)CCCC1 776134671 ORQXZRMDMQYUEK-UHFFFAOYSA-N 231.271 -0.022 50 20 BBGD COC[C@](C)(O)C(=O)NNc1ccccn1 777473368 DFMQSOCZPMRUOR-JTQLQIEISA-N 225.248 -0.078 50 20 BBGD O=C(Cn1cnnn1)NNc1ccnc(F)c1 781363368 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247.254 -0.274 50 20 BBGD CO[C@@]1(C(=O)NNc2nc[nH]n2)CCSC1 897777447 NJKSDVNKSCQDIH-QMMMGPOBSA-N 243.292 -0.230 50 20 BBGD COCCCC(=O)NNC(=O)C(=O)NC(C)C 915829030 UGMFMCHAMKIFEB-UHFFFAOYSA-N 245.279 -0.915 50 20 BBGD CC(C)CC(=O)NNC(=O)CCc1nc[nH]n1 1116244961 HGHJTNPAMJKCFH-UHFFFAOYSA-N 239.279 -0.069 50 20 BBGD Cc1nc(C(=O)NN(C)C(N)=O)ccc1C#N 1116527916 MTDIZNMQKGABEG-UHFFFAOYSA-N 233.231 -0.083 50 20 BBGD CC(=NNC(=O)CO)c1ccnc(C)n1 1116761349 XMFIOYQCARWRJX-UHFFFAOYSA-N 208.221 -0.382 50 20 BBGD CN(NC(=O)CO[C@@H]1CCOC1)C1CC1 1118160801 NDKXUFXMSPOMNN-SECBINFHSA-N 214.265 -0.083 50 20 BBGD O=C(Cn1ccccc1=O)NNc1nc[nH]n1 1324335233 PWWURWZSQACQIW-UHFFFAOYSA-N 234.219 -0.890 50 20 BBGD CNC(=O)CCCC(=O)NN(C)[C@H](C)CO 1329805190 CGOKOIMAZXCBCW-MRVPVSSYSA-N 231.296 -0.754 50 20 BBGD COC(=O)C(=O)NN=C1C(=O)Nc2ccccc21 1330774874 RWXXVOFFWRABNU-UHFFFAOYSA-N 247.210 -0.368 50 20 BBGD Cc1cc(C(=O)NN(C)C(N)=O)c(C)nn1 1347793066 GFERMEKGFUKHEJ-UHFFFAOYSA-N 223.236 -0.251 50 20 BBGD COc1nccnc1NNC(=O)[C@]12CNC[C@@H]1C2 1579329253 PSHWEQWTWMJEIJ-WRWORJQWSA-N 249.274 -0.462 50 20 BBGD CO[C@H](C(=O)O)C(=O)NNC(=O)C1CCC1 1604433144 CRYWSXCYFSCRMX-LURJTMIESA-N 230.220 -0.967 50 20 BBGD CN(C)C(=O)NNC(=O)[C@@H]1CCCCO1 153475577 VBJTWOJNISFCPH-ZETCQYMHSA-N 215.253 -0.142 50 20 BBGD O=C(CO)NNC(=O)c1[nH]nc2c1CCCC2 182764864 PSWQFNSPGGTOKI-UHFFFAOYSA-N 238.247 -0.958 50 20 BBGD C#CCNC(=O)NNC(=O)[C@@H]1CCCO1 291813442 YUBKWIYVRTVWFC-ZETCQYMHSA-N 211.221 -0.871 50 20 BBGD COC(=O)NNC(=O)[C@H]1CCC[C@@H](C(N)=O)C1 492200587 ISMRGXRWSGCCRX-RQJHMYQMSA-N 243.263 -0.335 50 20 BBGD CC1CN(C(=O)c2ccc(B(O)O)c(F)c2)C1 584984050 XCXRRNSXRCSUAF-UHFFFAOYSA-N 237.039 -0.403 50 20 BBGD C[C@@H](O)C1(NCc2cccc(B(O)O)c2)CC1 585049045 ANVHZCCQNOYGPU-SECBINFHSA-N 235.092 -0.631 50 20 BBGD CCc1cc(C)c(C(=O)NCB(O)O)o1 585061192 MQNAQRVJSYPUPO-UHFFFAOYSA-N 211.026 -0.108 50 20 BBGD C[C@@H]1C[C@@H]1C(=O)NNC(=O)Cc1cc[nH]n1 730091553 IILUVAFZTVYWIG-SVRRBLITSA-N 222.248 -0.244 50 20 BBGD COCCCC(=O)NNC(=O)N1CCOCC1 745986224 OCLXGVAAXXEQSC-UHFFFAOYSA-N 245.279 -0.514 50 20 BBGD COC(=O)C[C@@H](C)C(=O)NNC(=O)C(C)C 758372487 SLLHPQSQYJTGOX-SSDOTTSWSA-N 230.264 -0.011 50 20 BBGD CCS(=O)(=O)CC(=O)NN=c1cc[nH]cc1 780757053 RFPBQIBVKYVNSF-UHFFFAOYSA-N 243.288 -0.619 50 20 BBGD C[C@@H](O)C(=O)NNc1nc2ccccn2n1 791244581 MTBHCGAMQSTELU-ZCFIWIBFSA-N 221.220 -0.447 50 20 BBGD CCC(=O)NNS(=O)(=O)C[C@@H](C)OC 800831118 QPYJZGPETGARHP-ZCFIWIBFSA-N 224.282 -0.618 50 20 BBGD CS[C@H](C)C(=O)NNc1nc[nH]n1 816631842 IBCBXGGDQVNGEM-SCSAIBSYSA-N 201.255 -0.001 50 20 BBGD CNC(=S)N(C)NC(=O)c1cc(C)ncn1 854923310 QUWFSDDARSVIFF-UHFFFAOYSA-N 239.304 -0.134 50 20 BBGD C[C@@H]1CN(C)CC1=NNC(=O)[C@@H]1CCC(=O)N1 863148412 BKXGPOIBTMECIQ-SFYZADRCSA-N 238.291 -0.681 50 20 BBGD C=Cn1cc(C=NNC(=O)[C@H]2CCC(=O)N2)cn1 863153111 MUWOVMYPZHAILP-SECBINFHSA-N 247.258 -0.288 50 20 BBGD COCCOCC(=O)NN=C1CCO[C@@H]1C 872402412 ZRWGEUYUDIMCIN-MRVPVSSYSA-N 230.264 -0.070 50 20 BBGD COC(=O)N(C)NC(=O)c1cn(C)c(=O)n1C 908113973 ZRIZIWDECNYDHU-UHFFFAOYSA-N 242.235 -0.933 50 20 BBGD C[C@H](O)CN(C)NC(=O)[C@@H]1C[C@]12CCOC2 910161499 UQHNWFTYRZSVSP-QXEWZRGKSA-N 228.292 -0.243 50 20 BBGD CC(=O)NNC(=O)Nc1cccc(C(N)=O)c1 915906489 OWKQRCULHBYPBC-UHFFFAOYSA-N 236.231 -0.042 50 20 BBGD CC(=O)NNC(=O)CCOC[C@H]1CCCO1 920430345 KFRADKWZNUYIOD-SECBINFHSA-N 230.264 -0.261 50 20 BBGD CCNC(=O)NNC(=O)[C@H]1CCOC1 921208387 XUJSRSWHTFIEDW-LURJTMIESA-N 201.226 -0.627 50 20 BBGD CNC(=O)NNC(=O)CC[C@@]1(C)CCC(=O)N1 1319729116 JFKAREWNIATNGA-SNVBAGLBSA-N 242.279 -0.605 50 20 BBGD Nc1ncc(C=NNC(=O)Cc2cc[nH]n2)cn1 1326239370 HETZPTSNHHHYML-UHFFFAOYSA-N 245.246 -0.525 50 20 BBGD CCNC(=O)N(C)NC(=O)C#CCOC 1328661654 OUXMBDQPPFWHLP-UHFFFAOYSA-N 213.237 -0.671 50 20 BBGD NNC(=O)[C@@H]1CNC(=O)C[C@@H]1C(F)(F)F 1330614094 HYGVMNPKSIIVTC-DMTCNVIQSA-N 225.170 -0.709 50 20 BBGD C[C@H](O)CN(C)NC(=O)CCc1ccon1 1333347654 PNJWXXBAJGEQKC-QMMMGPOBSA-N 227.264 -0.049 50 20 BBGD C=CCNC(=S)NNC(=O)[C@@H](C)N 1574067002 FOABVNYTXFDSKI-RXMQYKEDSA-N 202.283 -0.985 50 20 BBGD CC(C)C[C@@H](N)C(=O)NNc1cnnn1C 1575626967 ZZCLLJLOSKHXAE-SSDOTTSWSA-N 226.284 -0.368 50 20 BBGD COCC(=O)NNC(=S)NC(C)C 6827691 PHSYXXBFGVDILZ-UHFFFAOYSA-N 205.283 -0.464 50 20 BBGD CCOC(=O)/C(C#N)=C\NC[C@@H]1COCCO1 127551429 KLQQEQCTXXGRRM-ABRRARGCSA-N 240.259 -0.038 50 20 BBGD COC1(C(=O)NNC(=O)CO)CCCCC1 185927690 ZNONIBGZGFPGTQ-UHFFFAOYSA-N 230.264 -0.525 50 20 BBGD CNC(=O)C1(C(=O)NNC(=O)CC(C)C)CC1 264314061 OCYJYNXHSADLRP-UHFFFAOYSA-N 241.291 -0.294 50 20 BBGD COC(=O)NNC(=O)c1nccnc1N 393807183 XYGLKWSDRNXVCE-UHFFFAOYSA-N 211.181 -0.940 50 20 BBGD CC[C@@H](O)CCNCc1ccc(B(O)O)o1 585028423 JWZSNCHTHKXSIV-MRVPVSSYSA-N 227.069 -0.790 50 20 BBGD CC(C)(C(N)=O)C(=O)NNC(=O)CC1CC1 819136278 QGUBKKPNJKQMSJ-UHFFFAOYSA-N 227.264 -0.555 50 20 BBGD COCCN(C)NC(=O)COC(F)F 848378412 QBJKVCDAHNFQER-UHFFFAOYSA-N 212.196 -0.165 50 20 BBGD N#CSCCCNC(=O)[C@H]1CCNC1=O 854366525 BJBGMWFTMUKGCB-SSDOTTSWSA-N 227.289 -0.157 50 20 BBGD COC(=O)N(C)NC(=O)[C@H](C)[C@H]1CCC(=O)N1 861656178 BZUKORUXXJGEPJ-RNFRBKRXSA-N 243.263 -0.370 50 20 BBGD C=CC(C)(C)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862462819 YWVHDSDRQGLDBT-ZETCQYMHSA-N 239.275 -0.375 50 20 BBGD CC[C@]1(C(=O)NN(C)CCOC)CCNC1=O 868241641 NMUVCSWDJHXRDK-NSHDSACASA-N 243.307 -0.488 50 20 BBGD C/C=C(\C)C(=O)NNC(=O)COCCOC 869909661 FDNOMQPGRCRZEN-XBXARRHUSA-N 230.264 -0.237 50 20 BBGD C[C@H]1Cc2cc(C=NNC(=O)C(N)=O)ccc2O1 901125995 BCHMWLXUKNWHQX-ZETCQYMHSA-N 247.254 -0.055 50 20 BBGD CC[C@](C)(O)C(=O)NN(C)CCOC 935912092 QADWILZNGDSDQM-VIFPVBQESA-N 204.270 -0.243 50 20 BBGD O=C(Cc1cc[nH]n1)NNC(=O)[C@H]1C[C@H]1F 1123650800 FDNMBUSHHQTBLX-NKWVEPMBSA-N 226.211 -0.542 50 20 BBGD CCNC(=O)NNC(=O)c1cn2cccnc2n1 1251280346 YAABRLACEJAEFL-UHFFFAOYSA-N 248.246 -0.307 50 20 BBGD Nc1ncccc1C=NNC(=O)C(=O)NC1CC1 1253079852 GKBIMWWZUFJXMW-UHFFFAOYSA-N 247.258 -0.608 50 20 BBGD Cc1c[nH]nc1C(=O)NNC(=O)N(C)C 1261544804 FVLPRIZTWUNYCL-UHFFFAOYSA-N 211.225 -0.366 50 20 BBGD Cc1cc(C)nc(NNC(=O)C(=O)NC2CC2)n1 1318514576 OJVRPZKJMZUPQN-UHFFFAOYSA-N 249.274 -0.185 50 20 BBGD Cc1ccc(CCC=NNC(=O)C(N)=O)cn1 1320520434 YTGYUCBZBXLBCD-UHFFFAOYSA-N 234.259 -0.090 50 20 BBGD Cn1c(Cl)cnc1C=NNC(=O)CCO 1321668598 MEWZSMWKOGXGQQ-UHFFFAOYSA-N 230.655 -0.094 50 20 BBGD CCNC(=O)NNC(=O)C[C@H]1CCC(=O)N1 1328730592 VYFOHOZHBLXFNH-ZCFIWIBFSA-N 228.252 -0.995 50 20 BBGD COC(=O)C(=O)NN=C1CO[C@@H](C)C1 1345929912 HWBNMRLAKTUSET-YFKPBYRVSA-N 200.194 -0.560 50 20 BBGD C[C@H](C(=O)O)C(=O)NNc1ncc(F)cn1 1588576417 QKROKOGUQXADIH-BYPYZUCNSA-N 228.183 -0.221 50 20 BBGD CC(=O)NNC(=O)c1cc(C(=O)O)co1 1609622173 FABYAVBTVNDESW-UHFFFAOYSA-N 212.161 -0.241 50 20 BBGD COCCOCCC(=O)NNc1ncccn1 57296091 MJZZWUPZKLCWEP-UHFFFAOYSA-N 240.263 -0.027 50 20 BBGD COCCCOCC(=O)NNC(=O)OC 274171222 BAISQZXDEBWNJN-UHFFFAOYSA-N 220.225 -0.573 50 20 BBGD Nc1ncc(C=NNC(=O)C(F)F)cn1 308988781 KNAPSIJXVRDTGV-UHFFFAOYSA-N 215.163 -0.226 50 20 BBGD CN1C(=O)[C@H]2CCN(C(=O)CCl)C[C@H]2C1=O 409426048 HJARPLLPKSDVDM-NKWVEPMBSA-N 244.678 -0.312 50 20 BBGD O=C(COc1ccc(B(O)O)cc1)NCC1CC1 584911174 YWLBPZDWCSDTEO-UHFFFAOYSA-N 249.075 -0.729 50 20 BBGD OB(O)c1ccccc1CNCCn1cccn1 585018954 XTOAGFDJBKCZMS-UHFFFAOYSA-N 245.091 -0.647 50 20 BBGD CC(C)[C@@H](O)CNCc1ccc(B(O)O)o1 585024867 FSLUBKBYFIGFRZ-VIFPVBQESA-N 227.069 -0.934 50 20 BBGD CC[C@H](CCO)NCc1cccc(B(O)O)c1 585025073 LEJBCUFYGFKDEC-GFCCVEGCSA-N 237.108 -0.383 50 20 BBGD OC[C@H](CCF)NCc1ccc(B(O)O)cc1 585045598 JURDGWVEFZAKQC-NSHDSACASA-N 241.071 -0.824 50 20 BBGD CCOCC(=O)NNC(=O)N1CCOCC1 745992703 IQDFKMHUBAQHBT-UHFFFAOYSA-N 231.252 -0.904 50 20 BBGD CN(C)C(=O)NNC(=O)CCCn1cccn1 749219717 QQAGOHYYBAOKTP-UHFFFAOYSA-N 239.279 -0.034 50 20 BBGD CC(C)N(CCO)CC(=O)NNC(=O)C1CC1 754666386 RCLBTXBGYUHNMO-UHFFFAOYSA-N 243.307 -0.754 50 20 BBGD CC(=O)NNC(=O)Nc1cc(C)n(C)n1 765226104 PTEFMQAXKGYFKM-UHFFFAOYSA-N 211.225 -0.099 50 20 BBGD CC(C)(C)C(=O)NNC(=O)C1(O)CCOCC1 772189451 CLOBXJCNOGOVND-UHFFFAOYSA-N 244.291 -0.279 50 20 BBGD O=C(CO)NNC(=O)[C@H]1CCC(F)(F)C1 795239116 PZBFYDOSCIJWJP-YFKPBYRVSA-N 222.191 -0.439 50 20 BBGD COC(=O)C(C)(C)CC=NNC(=O)C(N)=O 814696426 GKJHJOVMGWZCFD-UHFFFAOYSA-N 229.236 -0.837 50 20 BBGD CNc1nc(C)cc(C(=O)NNc2nc[nH]n2)n1 816632797 ZOEMVTZHCMGOHQ-UHFFFAOYSA-N 248.250 -0.298 50 20 BBGD Cc1cc(=NNC(=O)[C@@H]2CC(=O)N2)cc[nH]1 862515496 UHLOKXVEDHTRMU-QMMMGPOBSA-N 220.232 -0.856 50 20 BBGD COC[C@H](C)NC(=O)c1cccc(B(O)O)c1 863882048 WWOZYQIOVNDGRC-QMMMGPOBSA-N 237.064 -0.869 50 20 BBGD C#CCCCC(=O)NNC(=O)CCn1ccnn1 887140419 DDANWTDLFLRLHD-UHFFFAOYSA-N 249.274 -0.381 50 20 BBGD C[C@@H](O)CN(C)NC(=O)c1n[nH]c2c1CCC2 910170005 IIVGRINNBXEPMX-SSDOTTSWSA-N 238.291 -0.144 50 20 BBGD Cn1nncc1NNC(=O)C[C@H]1CCCO1 1331133287 RWKHBYGZSKFERR-SSDOTTSWSA-N 225.252 -0.173 50 20 BBGD CC(C)C[C@H](N)C(=O)NNC(=O)c1ncon1 1575640312 QHZHVYLBJTUXTJ-LURJTMIESA-N 241.251 -0.796 50 20 BBGD CC(=O)NNC(=O)[C@@H](C(=O)O)C(C)C 1602760932 RNTPLNUGZQCZRX-LURJTMIESA-N 202.210 -0.490 50 20 BBGD CC(=O)NNC(=O)[C@H]1Cc2ccccc2C(=O)O1 72575973 SZKLUMWHVZXAHU-SNVBAGLBSA-N 248.238 -0.065 50 20 BBGD O=S(=O)(CCl)NC[C@]1(O)CCOC1 227191529 JUHDCTNUCLLPEZ-ZCFIWIBFSA-N 229.685 -0.747 50 20 BBGD Cn1cccc1C(=O)NNC(=O)CC(C)(C)O 279439150 BATSXBDZBTXAGH-UHFFFAOYSA-N 239.275 -0.053 50 20 BBGD COC(=O)N(C)NC(=O)[C@H]1CCCO1 286295292 JMSUXOSHHNGOAW-ZCFIWIBFSA-N 202.210 -0.105 50 20 BBGD C[C@H](Cl)C(=O)NC[C@@H]1CNC(=O)C1 307062109 MGYALPSJTDNHRK-WDSKDSINSA-N 204.657 -0.134 50 20 BBGD O=C(NC[C@H]1CCOC1)c1ccc(B(O)O)cc1 584934098 OYNLSDNVBBRKEK-SECBINFHSA-N 249.075 -0.867 50 20 BBGD O=C(c1cccc(B(O)O)c1)N1CC[C@H]2C[C@@H]2C1 585005998 PFVMWJIFYGEKAQ-GXSJLCMTSA-N 245.087 -0.152 50 20 BBGD N#CC1(CNCc2ccc(B(O)O)cc2)CC1 585039905 WWECZZHRHNPYLU-UHFFFAOYSA-N 230.076 -0.240 50 20 BBGD COc1ccccc1NC(=O)NNC(=O)CO 755327634 CLEQEYVFUFRNNP-UHFFFAOYSA-N 239.231 -0.160 50 20 BBGD CN1C(=O)CC[C@@H]1C(=O)NNc1cnccn1 806861265 LBFPJYUYUQQEMK-SSDOTTSWSA-N 235.247 -0.460 50 20 BBGD NC(=O)C(=O)NN=Cc1ccc(C(F)(F)F)[nH]1 807944880 SXKPVVKSNKIVDA-UHFFFAOYSA-N 248.164 -0.031 50 20 BBGD C[C@@H](O)CN(C)NC(=O)c1cc(=O)cc[nH]1 822555814 BDSDLRSOBYTLKG-SSDOTTSWSA-N 225.248 -0.668 50 20 BBGD CCCSCC(=O)NNC(=O)c1ncon1 832825642 BZIILQDVOCDXSW-UHFFFAOYSA-N 244.276 -0.026 50 20 BBGD C[C@@H](C#N)OCCOc1ccc(B(O)O)cc1 863866828 YZFBPNOVJIIQMX-VIFPVBQESA-N 235.048 -0.326 50 20 BBGD O=C(NNc1ncccn1)[C@H]1C[C@@H](O)C1 873959372 JWFAAUZVCOBKKL-KNVOCYPGSA-N 208.221 -0.309 50 20 BBGD CC[C@H](OC)C(=O)NN(C)C[C@H](C)O 910168015 LTBRMELOQPECHC-YUMQZZPRSA-N 204.270 -0.245 50 20 BBGD CCNC(=O)NNC(=O)[C@@H]1CC(=O)N(CC)C1 920858464 NQHCQWSRJVAVOR-SSDOTTSWSA-N 242.279 -0.795 50 20 BBGD COc1nccc(C(=O)NNC(C)=O)n1 929183138 UABUNTFIHRFLIV-UHFFFAOYSA-N 210.193 -0.734 50 20 BBGD CO[C@@H](C)C(=O)NNC(=O)Cc1cc[nH]n1 1320420056 KRGKRQHRZXMSCW-LURJTMIESA-N 226.236 -0.866 50 20 BBGD COC(=O)[C@H]1C[C@@H](C(=O)NNC(C)=O)C1 1356560228 NPQGDEGDBAQALW-KNVOCYPGSA-N 214.221 -0.647 50 20 BBGD C=CC[C@H](NNC(=O)c1cccnn1)C(=O)O 1588749721 PTKDNZSFGCKXPW-QMMMGPOBSA-N 236.231 -0.260 50 20 BBGD C[C@H](O)CN(C)NC(=O)[C@@H](C(=O)O)C1CC1 1589151788 BWUMBHSXLVUXKH-XPUUQOCRSA-N 230.264 -0.559 50 20 BBGD C=C(CCC(=O)O)C(=O)NN(C)C(N)=O 1602784559 VKBWWKGHYQAPAP-UHFFFAOYSA-N 215.209 -0.551 50 20 BBGD COCC(=O)NNc1nc(C)cc(OC)n1 174500739 NJIQXWFKOHGGBL-UHFFFAOYSA-N 226.236 -0.117 50 20 BBGD Cc1nc(C(=O)NNC(=O)C(C)(C)O)c(C)o1 294859705 JJHXNLHRLWPCPK-UHFFFAOYSA-N 241.247 -0.177 50 20 BBGD COCC[C@H](C)NCc1ccccc1B(O)O 585021085 PBACCTQIHVDMDH-JTQLQIEISA-N 237.108 -0.119 50 20 BBGD Cc1cc(CNCc2ccc(B(O)O)o2)ccn1 585044074 YINCYYOKTCKZOK-UHFFFAOYSA-N 246.075 -0.047 50 20 BBGD O=C(NCB(O)O)c1cc(F)c(F)cc1F 585062634 LCXPEIREBPVQLG-UHFFFAOYSA-N 232.954 -0.154 50 20 BBGD CC(C)N(C)CC(=O)N1CC[C@H](B(O)O)C1 585069230 JTVSDASHCADINU-VIFPVBQESA-N 228.101 -0.598 50 20 BBGD CCOCC(=O)NNC(=O)NCC[C@@H](C)OC 731282870 ZZKRFORQBXGJET-MRVPVSSYSA-N 247.295 -0.222 50 20 BBGD CCNC(=O)NNC(=O)C[C@](C)(O)C1CC1 755664062 GPHDCIOEPZYKBT-JTQLQIEISA-N 229.280 -0.112 50 20 BBGD CN(NC(=O)CCCn1cccn1)C(N)=O 778412021 JUZOAVZNLGTRPI-UHFFFAOYSA-N 225.252 -0.295 50 20 BBGD Cn1ncc(C(=O)NNC(=O)c2ccc[nH]2)n1 785723134 NTYCYCYLXBIIIV-UHFFFAOYSA-N 234.219 -0.782 50 20 BBGD COCC(=O)NN=C1CCCc2nc(N)ncc21 814871081 HTPQASLGNWQDBF-UHFFFAOYSA-N 249.274 -0.138 50 20 BBGD CC1=NO[C@H](C(=O)NN(C)[C@@H](C)CO)C1 823918225 STGWIHUIUALGSP-YUMQZZPRSA-N 215.253 -0.505 50 20 BBGD C[C@H](CO)N(C)NC(=O)COCC(F)(F)F 823935729 WBCVCIIDZRJKIO-ZCFIWIBFSA-N 244.213 -0.091 50 20 BBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)CC(C)(C)O 843971988 SOGVQCPSSZHZIS-JGVFFNPUSA-N 244.291 -0.280 50 20 BBGD C[C@@]1(C(=O)NNC(=O)NC2CC2)CCNC1=O 874194297 WDMDNHOSQNQQOG-SNVBAGLBSA-N 240.263 -0.995 50 20 BBGD CCNC(=O)N(C)NC(=O)c1cnn(C)c1N 1320279717 YIARPTLSFGNKSP-UHFFFAOYSA-N 240.267 -0.692 50 20 BBGD COc1ccc(C=NNC(=O)C(N)=O)cn1 1320628556 BYDNYZIDDOVCJN-UHFFFAOYSA-N 222.204 -0.974 50 20 BBGD CC(=O)NNC(=O)COCc1ccncc1 1324022794 HVDMQVOUFJHMRW-UHFFFAOYSA-N 223.232 -0.235 50 20 BBGD CN(NC(=O)C1CCOCC1)C(N)=O 1341604087 PLOGTNHDHMMJBA-UHFFFAOYSA-N 201.226 -0.545 50 20 BBGD CN(NC(=O)C12CCCN1CCC2)C(N)=O 366810884 SPUIWEKUBKGSRB-UHFFFAOYSA-N 226.280 -0.344 50 20 BBGD CCN(C(=O)c1ccc(B(O)O)cc1)C1CC1 584944739 VSPCLSQYIIEQKM-UHFFFAOYSA-N 233.076 -0.009 50 20 BBGD COC(=O)CNC(=O)NN=C(C)[C@@H]1CCOC1 779818409 PYMIYRXZMSYQRD-MRVPVSSYSA-N 243.263 -0.129 50 20 BBGD C[C@H](O)C(=O)NNc1nc2ccccn2n1 791248593 MTBHCGAMQSTELU-LURJTMIESA-N 221.220 -0.447 50 20 BBGD Cc1cc(C(=O)NN=Cc2cn(C)nc2O)n[nH]1 814224224 BUBURFIFWHAPBP-UHFFFAOYSA-N 248.246 -0.079 50 20 BBGD CN(C)C(=O)NNC(=O)Cc1cncc(O)c1 824627193 JMNOQKFOXQKNOD-UHFFFAOYSA-N 238.247 -0.368 50 20 BBGD CC(C)(C)C(=O)CCCC(=O)NNC(=O)CO 827893676 HQXTYPFDSCWKMR-UHFFFAOYSA-N 244.291 -0.088 50 20 BBGD CCNC(=O)N(C)NC(=O)CNC1CC1 831945415 PYKQQRXLNWGHSJ-UHFFFAOYSA-N 214.269 -0.569 50 20 BBGD CC1(C(=O)NNC(=O)c2ncon2)CC1 832825631 BRXRXKQCKXTVLY-UHFFFAOYSA-N 210.193 -0.369 50 20 BBGD CC1(C#N)CN(CC(=O)NNC(=O)C2CC2)C1 846882493 KKJJTFOFJPPNCD-UHFFFAOYSA-N 236.275 -0.611 50 20 BBGD CO[C@@H](C=NNC(=O)C(=O)NC1CC1)C1CC1 853282606 KMRNQZJZKHKUFQ-VIFPVBQESA-N 239.275 -0.208 50 20 BBGD COCC(C)=NNC(=O)[C@@H]1CCC(=O)N1 863145625 PEVFHCSTLGMCBK-ZETCQYMHSA-N 213.237 -0.597 50 20 BBGD Cn1cccc1C=NNC(=O)CS(C)(=O)=O 863188827 OUOFEQCCMLFZPT-UHFFFAOYSA-N 243.288 -0.480 50 20 BBGD CC[C@H](O)[C@H](C)C(=O)NN(C)C[C@H](C)O 910141172 QHYZRXYHDKIVSU-CIUDSAMLSA-N 218.297 -0.263 50 20 BBGD C[C@@H](O)CN(C)NC(=O)Cc1ncc[nH]1 910145979 AFNTVVUWHIEKLB-SSDOTTSWSA-N 212.253 -0.704 50 20 BBGD C[C@@H](O)CN(C)NC(=O)c1cncnc1 910161225 SQKKSLQCJBBDGT-SSDOTTSWSA-N 210.237 -0.566 50 20 BBGD COc1nccc(C(=O)NNC(=O)C(C)C)n1 929286646 DDPAXVBVGYJTHM-UHFFFAOYSA-N 238.247 -0.098 50 20 BBGD Cc1nn(C)cc1C(=O)NNC(=O)NC1CC1 1318515137 YTYGILMXNLTIDC-UHFFFAOYSA-N 237.263 -0.165 50 20 BBGD CN(C)C(=O)NNC(=O)c1cc2n(n1)CCO2 1327656805 GDQVBXMTGMTIPF-UHFFFAOYSA-N 239.235 -0.809 50 20 BBGD Cc1cnn(C)c1C(=O)N1CC[C@H](B(O)O)C1 1334779866 PRPLMWUXTWXRHT-QMMMGPOBSA-N 237.068 -0.583 50 20 BBGD NNC(=O)c1ccc(Cc2nc[nH]n2)cc1 1580358651 PKILUIKRQMWKOK-UHFFFAOYSA-N 217.232 -0.001 50 20 BBGD C=C(CCC(=O)O)C(=O)NNC(=O)C(C)(C)O 1588630744 ZXCPWCYUWHHFTB-UHFFFAOYSA-N 244.247 -0.674 50 20 BBGD CC[C@H](NNC(=O)c1cnsn1)C(=O)O 1595305858 OGAKSOINNIRIEW-BYPYZUCNSA-N 230.249 -0.364 50 20 BBGD Cn1nnc2cc(C=NNC(=O)C(=O)O)ccc21 1601041333 CWEHJBBTVHOOKM-UHFFFAOYSA-N 247.214 -0.497 50 20 BBGD O=C(O)C(=O)NN=Cc1nccn1C1CC1 1608530725 BQDFWVAJBLXLHE-UHFFFAOYSA-N 222.204 -0.247 50 20 BBGD CN1CC[C@H](NC(=O)NNc2ccccn2)C1=O 172404682 NECDTWZRQKCROO-QMMMGPOBSA-N 249.274 -0.062 50 20 BBGD C#CC(=O)NNc1nncc(N)c1Cl 306613556 KSHBCMZQNQVSPB-UHFFFAOYSA-N 211.612 -0.212 50 20 BBGD CN1C(=O)[C@H]2CN(C(=O)CCCl)C[C@@H]2C1=O 409425768 GVHNTGFYUOUDNA-BQBZGAKWSA-N 244.678 -0.312 50 20 BBGD CCOC(=O)NCC(=O)NNC(=O)C1CC1 490786268 CMWFEQJHHACBRA-UHFFFAOYSA-N 229.236 -0.710 50 20 BBGD CCOC(=O)NNS(=O)(=O)c1ccn(C)n1 491042996 XWWWDWJKHQCBTP-UHFFFAOYSA-N 248.264 -0.641 50 20 BBGD Cn1cc(/C=C(/C#N)C(=O)NCC#CCO)cn1 491177396 WJHWILGONFEFBO-WDZFZDKYSA-N 244.254 -0.561 50 20 BBGD COC(=O)NNS(=O)(=O)c1ccc(C)nc1 495609968 AMDRRHXKLDAVSL-UHFFFAOYSA-N 245.260 -0.061 50 20 BBGD O=C(NCB(O)O)c1cccc2nccnc12 585061978 AKMJCNXIHSTUKC-UHFFFAOYSA-N 231.020 -0.628 50 20 BBGD O=C(NNC(=O)c1cnc[nH]1)c1ccc[nH]1 725879449 TYLUEUIKOMBVMT-UHFFFAOYSA-N 219.204 -0.187 50 20 BBGD CNC(=S)NNC(=O)[C@@H](C)OCCOC 734025657 AAWFGZINJQKSDJ-ZCFIWIBFSA-N 235.309 -0.837 50 20 BBGD Cn1cc(C(=O)NNC(=O)C2=COCC2)cn1 735473216 ORYOKIUTAHBGFU-UHFFFAOYSA-N 236.231 -0.515 50 20 BBGD CC(C)(C)C(=O)NNC(=O)C1(NC(N)=O)CC1 767262769 YHNYCIHZOOTOSK-UHFFFAOYSA-N 242.279 -0.619 50 20 BBGD COc1cccnc1NC(=O)NNC(=O)CO 771792702 VPUZTMBPVBXEIW-UHFFFAOYSA-N 240.219 -0.765 50 20 BBGD CCOCC(=O)NN=Cc1cnccn1 807973091 UGXDYIMZFTYONR-UHFFFAOYSA-N 208.221 -0.037 50 20 BBGD O=C(NNC(=O)[C@@H](O)C1CC1)C1CCC1 827209964 IMHHWPPXSZOSAX-QMMMGPOBSA-N 212.249 -0.295 50 20 BBGD CC(C)(O)C(=O)NNC(=O)CSC1CC1 830691017 RBVTWDHEMJAGNW-UHFFFAOYSA-N 232.305 -0.200 50 20 BBGD O=C(NNc1ccccc1)C1(O)CNC1 852892621 MCVSZTHKOFKJTF-UHFFFAOYSA-N 207.233 -0.536 50 20 BBGD Cn1nncc1NNC(=O)C1=CCCCO1 857271431 MADWWWLEKGOGJA-UHFFFAOYSA-N 223.236 -0.048 50 20 BBGD C[C@H]1COCCC1=NNC(=O)[C@@H]1CCC(=O)N1 863153092 MNVKHMZFYSUMJS-CBAPKCEASA-N 239.275 -0.206 50 20 BBGD O=C(NN=C[C@@H]1CCOC1)c1ncon1 901286523 SJZBULMDNMFTCB-LURJTMIESA-N 210.193 -0.178 50 20 BBGD CO[C@]1(C(=O)NN(C)[C@H](C)CO)CCSC1 911445460 VVJYXWWWIBZPGH-PSASIEDQSA-N 248.348 -0.148 50 20 BBGD CC[C@H](C)C(=O)NNC(=O)CN1CCCC1=O 920435412 HLIYTGBMLSJMDC-QMMMGPOBSA-N 241.291 -0.198 50 20 BBGD CC(C)(C(N)=O)N1CCN(C(=O)CCl)CC1 1319674031 AQJXYJDKOSWTBU-UHFFFAOYSA-N 247.726 -0.367 50 20 BBGD C#CCn1ccnc1C=NNC(=O)C(=O)OC 1323310212 JAGTYFAJDQAZKK-UHFFFAOYSA-N 234.215 -0.861 50 20 BBGD CCCNC(=S)NNC(=O)c1ncon1 1336920396 RREOILJIQPMVIR-UHFFFAOYSA-N 229.265 -0.412 50 20 BBGD O=C(CO[C@H]1CCOC1)NNc1cccnn1 1342261351 AQDQFRQMQIJBMI-QMMMGPOBSA-N 238.247 -0.275 50 20 BBGD O=C1N[C@H](C(=O)NNc2cccnn2)CCO1 1348283321 VOZBDAPRYXBMJM-LURJTMIESA-N 237.219 -0.582 50 20 BBGD C[C@H](O)CN(C)NC(=O)CCc1cncn1C 1354057720 LMATXBGSFHHNFF-VIFPVBQESA-N 240.307 -0.304 50 20 BBGD CC[C@](C)(N)C(=O)NNc1nnc(C)n1C 1574074411 UDBUJLFXELNEIV-VIFPVBQESA-N 226.284 -0.306 50 20 BBGD C[C@H](O)CN(C)NC(=O)c1ccc(C(=O)O)[nH]1 1593457349 RIRDPXMAQCCPAQ-LURJTMIESA-N 241.247 -0.330 50 20 BBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)CC(=O)O 1594646171 WTKKIXIBPTYZCQ-PHDIDXHHSA-N 230.220 -0.967 50 20 BBGD C=C[C@@H](NNC(=O)COCC)C(=O)O 1602819066 LZVSQXIOHBNIIW-ZCFIWIBFSA-N 202.210 -0.717 50 20 BBGD COC(=O)[C@H]1C[C@H]1C(=O)NNC(=O)N(C)C 263903829 RAKVSQOQOHYTQM-RITPCOANSA-N 229.236 -0.902 50 20 BBGD CON=CC(=O)NNc1cc(Cl)[nH]c(=N)n1 381585821 BRWYVEJWPMWJEL-UHFFFAOYSA-N 244.642 -0.382 50 20 BBGD OB(O)c1ccc(CNCC2CCOCC2)cc1 585020357 UJZRLCGZTMZKEL-UHFFFAOYSA-N 249.119 -0.117 50 20 BBGD OCC[C@@H](NCc1ccc(B(O)O)cc1)C1CC1 585024729 BORPIOADAOJYMY-CYBMUJFWSA-N 249.119 -0.383 50 20 BBGD O=C(NCB(O)O)c1ccc2ccncc2c1 585062391 HWWGMWBWOUFVON-UHFFFAOYSA-N 230.032 -0.023 50 20 BBGD CCNC(=O)NN=Cc1c(N)ncnc1OC 747630483 PDBHHMQZKOFTGI-UHFFFAOYSA-N 238.251 -0.280 50 20 BBGD CCCCNC(=O)NNC(=O)[C@@H](C)O 786827972 SZOOVOZGYNESJX-ZCFIWIBFSA-N 203.242 -0.502 50 20 BBGD CC(=O)NNC(=O)c1ccnn1CC(F)F 789867103 KRPVSGWMSSIBIS-UHFFFAOYSA-N 232.190 -0.071 50 20 BBGD CCO[C@@H]1C[C@H]1C(=O)NN(C)[C@@H](C)CO 823971412 TVGGWMYKDRGJEG-DJLDLDEBSA-N 216.281 -0.245 50 20 BBGD CCNC(=O)N(C)NC(=O)C1(N)CCCC1 843494419 SEMSUCTVDACAGE-UHFFFAOYSA-N 228.296 -0.050 50 20 BBGD C=C[C@](C)(O)C(=O)NNC(=O)c1cccn1C 854287580 HEFSCYIRVRNOJK-NSHDSACASA-N 237.259 -0.277 50 20 BBGD O=C(CCC1CC1)NNC(=O)[C@H]1CCC(=O)N1 862454056 BVXSJMVICXPVRO-MRVPVSSYSA-N 239.275 -0.397 50 20 BBGD O=S(=O)(CCCCl)NC[C@H]1COCO1 882258186 WIAMJLQPWWVFNP-ZETCQYMHSA-N 243.712 -0.092 50 20 BBGD CC1=NO[C@@H](CNCc2cccc(B(O)O)c2)C1 895302146 ORXNJWMLRUAWEO-GFCCVEGCSA-N 248.091 -0.379 50 20 BBGD CN1CCO[C@H](C(=O)NNc2ccccc2)C1=O 901162792 OPRMJUZHTGWHFJ-SNVBAGLBSA-N 249.270 -0.013 50 20 BBGD Cc1nnccc1C(=O)NN(C)C[C@H](C)O 910160425 IBCXQZRSKXUOJN-ZETCQYMHSA-N 224.264 -0.258 50 20 BBGD O=C(CSc1nc[nH]n1)NNC(=O)C1CC1 1319113826 UZDRQWGBQVFCCD-UHFFFAOYSA-N 241.276 -0.546 50 20 BBGD CC(C)(C)n1cc(C=NNC(=O)C(N)=O)cn1 1323085831 NHTFPURUQJMHKM-UHFFFAOYSA-N 237.263 -0.427 50 20 BBGD C[C@H](O)CN(C)NC(=O)[C@H](C)[C@H]1CCC(=O)N1 1332628782 AHYRPLQGVHNPSO-DJLDLDEBSA-N 243.307 -0.755 50 20 BBGD O=C(O)CCC(=O)NNC(=O)[C@H]1CCCO1 1594996666 GXHZNEPPVDJBBW-ZCFIWIBFSA-N 230.220 -0.822 50 20 BBGD O=C(O)c1ccc(C(=O)NNc2nc[nH]n2)nc1 1595220867 LZVHNGNZUHNEBA-UHFFFAOYSA-N 248.202 -0.345 50 20 BBGD CC(C)NC(=O)NNC(=O)[C@@H](C)C(=O)O 1609828197 KQTFCSZCWZFPII-RXMQYKEDSA-N 217.225 -0.554 50 20 BBGD O=C(NN=C1CC(C(=O)O)C1)c1ncon1 1776106148 SDRJTCHPGTZMDO-UHFFFAOYSA-N 224.176 -0.350 50 20 BBGD COCC(=O)NNC(=O)NCc1ccco1 49162779 WLXBTWAJCCXRPG-UHFFFAOYSA-N 227.220 -0.244 50 20 BBGD NNC(=O)[C@@H]1CCCN(C(=O)c2ccncc2)C1 66151808 RLMFIEKIIADUSV-SNVBAGLBSA-N 248.286 -0.076 50 20 BBGD CN(C)CC(=O)NNC(=O)c1cncs1 265005194 BPKGUQAHTBVNNX-UHFFFAOYSA-N 228.277 -0.534 50 20 BBGD CCO/C=C(\C#N)C(=O)N1CC(O)(CC#N)C1 490663914 MLSGBHGWNPDVAC-RMKNXTFCSA-N 235.243 -0.083 50 20 BBGD CCNC(=O)NNC(=O)c1cnn(CC)c1 733951579 JMHBCKJICCPKIO-UHFFFAOYSA-N 225.252 -0.133 50 20 BBGD CCO/C=C(/C#N)C(=O)N1C[C@H](O)C[C@H]1CO 775397621 YQRFMLCERWREGR-ZTXJHGQBSA-N 240.259 -0.616 50 20 BBGD Cn1ccc(C(=O)NN=c2cc[nH]cc2)n1 780761574 ZKCXDCKZNBMGFJ-UHFFFAOYSA-N 217.232 -0.006 50 20 BBGD C[C@@H]1COCCC1=NNC(=O)C(=O)NC1CC1 794482491 NBKSYJCKCBASSB-SSDOTTSWSA-N 239.275 -0.206 50 20 BBGD Cn1nncc1NNC(=O)c1cccnc1O 816771517 QBKZGUWKMTWCPO-UHFFFAOYSA-N 234.219 -0.327 50 20 BBGD COC[C@H](OC)C(=O)NNC(=O)C1CCCC1 821750708 NXKSCUZOTGNKKA-VIFPVBQESA-N 244.291 -0.015 50 20 BBGD CCN(CCO)NC(=O)C[C@@H]1CCCC(=O)N1 823884649 CXMFBHXETBBNDY-VIFPVBQESA-N 243.307 -0.609 50 20 BBGD C[C@@H](CO)N(C)NC(=O)[C@H](O)c1ccccn1 823927870 HZAIWWCJDDWWTC-WCBMZHEXSA-N 239.275 -0.541 50 20 BBGD C[C@@H](CO)N(C)NC(=O)Cc1cccnc1 823946640 MBEAKRXHWSMQTB-VIFPVBQESA-N 223.276 -0.032 50 20 BBGD CN1CCN(C(=O)NNC(=O)CCCF)CC1 854381776 QXZAUGDYYVSDCH-UHFFFAOYSA-N 246.286 -0.276 50 20 BBGD CNC(=S)N(C)NC(=O)[C@H](C)OC 854926337 WPISFQMTMLIYGL-YFKPBYRVSA-N 205.283 -0.511 50 20 BBGD CCO[C@@H](CC)C(=O)NNC(=O)c1cc[nH]n1 855359338 NWRAOICKQOCEIV-QMMMGPOBSA-N 240.263 -0.014 50 20 BBGD CN([C@]1(CO)CCOC1)S(=O)(=O)CCl 867338910 UCBMFJAINPXEMY-ZETCQYMHSA-N 243.712 -0.404 50 20 BBGD CC(C)NC(=O)C(=O)NNC(=O)[C@H]1CC1(F)F 1118776993 SHXMTHQTRVHZEJ-RXMQYKEDSA-N 249.217 -0.686 50 20 BBGD CC(C)NC(=O)NNC(=O)Cc1cnc[nH]1 1262153882 PJISUYGJORSFGD-UHFFFAOYSA-N 225.252 -0.309 50 20 BBGD CN(NC(=O)c1ncn(C(C)(C)C)n1)C(N)=O 1324691315 XVYSPSPZCSDNSM-UHFFFAOYSA-N 240.267 -0.312 50 20 BBGD CC(=O)C1(C(=O)NNc2cnnn2C)CC1 1329009114 ODGDEWFSIWXUDX-UHFFFAOYSA-N 223.236 -0.373 50 20 BBGD Cc1cc(C(=O)N2CC[C@@H](B(O)O)C2)no1 1329216246 VVMSLERRUBOTAP-SSDOTTSWSA-N 224.025 -0.328 50 20 BBGD Cc1cc(N2CC[C@@H](B(O)O)C2)nc(CO)n1 1351728400 GDBHNKIXDPXCGN-MRVPVSSYSA-N 237.068 -0.670 50 20 BBGD COCCN(C)NC(=O)[C@@H]1CC[C@H]1C(=O)O 1593995598 JQGGXDIWWJHHRX-HTQZYQBOSA-N 230.264 -0.293 50 20 BBGD CC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)o1 1609063885 LIMRACZXCPMTPC-UHFFFAOYSA-N 236.191 -0.759 50 20 BBGD CCO/C=C(\C#N)C(=O)N[C@H](CF)C(=O)O 1610035585 PJASBYGLCMXWCE-WEWAHIQMSA-N 230.195 -0.031 50 20 BBGD Cn1cccc1C(=O)NNC(=O)c1ccnnc1 129239510 SPTOXPMKVQBPHL-UHFFFAOYSA-N 245.242 -0.110 50 20 BBGD Cc1ccc(NC(=O)NNC(=O)CO)nc1 184266486 ZTIHEVNLTNDRIH-UHFFFAOYSA-N 224.220 -0.465 50 20 BBGD COC(=O)N(C)NC(=O)c1ccc(OC)nn1 495628528 IMBIDFVUGZVKRP-UHFFFAOYSA-N 240.219 -0.172 50 20 BBGD C[C@H]1C[C@H]1C(=O)NNC(=O)Cc1cc[nH]n1 730091552 IILUVAFZTVYWIG-POYBYMJQSA-N 222.248 -0.244 50 20 BBGD Cc1cc(NNC(=O)C2(C(N)=O)CC2)nc(C)n1 736716521 MESNXYBMTUAAJB-UHFFFAOYSA-N 249.274 -0.198 50 20 BBGD CCNC(=O)NNC(=O)CSCC(=O)O 739465915 XEOZTPLZVZXFRS-UHFFFAOYSA-N 235.265 -0.846 50 20 BBGD CCOCCC(=O)NNC(=O)Cc1cc[nH]n1 755279676 QZOLCUXXICNULF-UHFFFAOYSA-N 240.263 -0.474 50 20 BBGD CN(C)CC(=O)NNC(=O)[C@@H]1CCCCS1 783649097 COTXFYPSIKMVKX-QMMMGPOBSA-N 245.348 -0.019 50 20 BBGD COC(=O)NNC(=O)COCc1ccccn1 806341227 AZTXVOAIOKBJEZ-UHFFFAOYSA-N 239.231 -0.015 50 20 BBGD CCN(CCO)NC(=O)c1cnc(C)cn1 823834262 YXZUAEDJBJILRS-UHFFFAOYSA-N 224.264 -0.256 50 20 BBGD COc1cncc(C(=O)NN(C)[C@H](C)CO)n1 823927704 DJNPAKIMOTXJDK-SSDOTTSWSA-N 240.263 -0.557 50 20 BBGD C[C@H](CO)N(C)NC(=O)[C@@H]1C[C@@]12CCOC2 823934053 ANWDQRGLQXELTM-WCABBAIRSA-N 228.292 -0.243 50 20 BBGD CO[C@@H](CS(=O)(=O)NNC(C)=O)C(C)C 842574482 XKUISKRHJHVEBF-QMMMGPOBSA-N 238.309 -0.372 50 20 BBGD CNC(=S)N(C)NC(=O)[C@@H]1CCCO1 854923418 VHBOWFZRRRNJFB-LURJTMIESA-N 217.294 -0.367 50 20 BBGD CCC(=NNC(=O)[C@H]1CCC(=O)N1)c1cn[nH]c1 863150928 AMBJHOVPXUJCDV-SECBINFHSA-N 249.274 -0.081 50 20 BBGD CC(C)C(=O)NNC(=O)[C@@H](C)N(C)C 873796625 IRIATMBACZQBCU-SSDOTTSWSA-N 201.270 -0.260 50 20 BBGD CN1C(=O)CCC[C@@H]1C(=O)NN=c1cc[nH]cc1 907257930 UKZFFQWLBMIVQS-SNVBAGLBSA-N 248.286 -0.043 50 20 BBGD CO[C@@H](C(=O)NN(C)C[C@@H](C)O)C1CC1 910150797 VUYIUMBHMBIQGJ-VXNVDRBHSA-N 216.281 -0.245 50 20 BBGD C[C@H]1C[C@H]1C(=O)NNC(=O)CN1CCCC1=O 920433943 MBASHOFNPSLYMQ-JGVFFNPUSA-N 239.275 -0.588 50 20 BBGD O=C(Cc1cc[nH]n1)NNC(=O)[C@@H]1C[C@H]1F 1123650801 FDNMBUSHHQTBLX-RNFRBKRXSA-N 226.211 -0.542 50 20 BBGD CN(NC(=O)[C@@H]1CCCN(C(N)=O)C1)C1CC1 1327996961 NHJXUSXGJKKHHZ-MRVPVSSYSA-N 240.307 -0.098 50 20 BBGD C[C@@H](NNC(=O)CS(C)(=O)=O)C(F)(F)F 1329520475 BFZRPQBQOZFPKN-SCSAIBSYSA-N 248.226 -0.397 50 20 BBGD O=C(NNC(=O)c1cccc[n+]1[O-])c1ccc[nH]1 1337475990 NDIJOQKVCBWPEF-UHFFFAOYSA-N 246.226 -0.277 50 20 BBGD CC(C)(C)C(=O)NNC(=O)C[C@]1(O)CCNC1 1575106288 KWPMZJGANVTGBU-LLVKDONJSA-N 243.307 -0.706 50 20 BBGD COCCC(C)(C)C(=O)NNC(=O)C(C)(C)O 192930552 VCYYGJIITIXHAC-UHFFFAOYSA-N 246.307 -0.033 50 20 BBGD CC(C)(O)C(=O)NNC(=O)CC(F)(F)F 276161803 AEYPMNMWWNFECH-UHFFFAOYSA-N 228.170 -0.143 50 20 BBGD C[C@@H](C#N)CNCc1ccc(B(O)O)cc1 585035758 YNVQPKJGBJKFQB-VIFPVBQESA-N 218.065 -0.384 50 20 BBGD Cc1ccc(S(=O)(=O)NCB(O)O)c(F)c1 585053589 ATVXDQPRWDJOAY-UHFFFAOYSA-N 247.056 -0.576 50 20 BBGD C[C@@H]1O[C@H](C)[C@H](C(=O)NCB(O)O)[C@@H]1C 585062639 LHTWGWYYJGTEKM-ULAWRXDQSA-N 215.058 -0.826 50 20 BBGD CCN(C)S(=O)(=O)NNC(=O)C1CCCC1 746054652 XEERFFXHRHBHBK-UHFFFAOYSA-N 249.336 -0.006 50 20 BBGD C=CCNC(=S)NNC(=O)CC1OCCO1 798307179 JYXKJRQTXOAYPM-UHFFFAOYSA-N 245.304 -0.569 50 20 BBGD CN(NC(=O)c1cnn(C)c1N)C1CC1 819650085 STBZSEWMXYGQRM-UHFFFAOYSA-N 209.253 -0.259 50 20 BBGD Cc1ocnc1C(=O)NN(C)[C@H](C)CO 823965663 RHRUAWDCTMGXGZ-ZCFIWIBFSA-N 213.237 -0.060 50 20 BBGD C=CC(=O)N(C)CC(=O)NNC(=O)C1CCC1 859328721 TYASPBJVJCMDFW-UHFFFAOYSA-N 239.275 -0.422 50 20 BBGD COC(=O)CC(=O)NN=c1cc[nH]c(C)c1 912982748 SIOICVLKAVSIPD-UHFFFAOYSA-N 223.232 -0.182 50 20 BBGD CCNC(=O)N(C)NC(=O)c1cocn1 1325582684 MEAUENPFPNBHFC-UHFFFAOYSA-N 212.209 -0.019 50 20 BBGD C[C@@H]1C[C@H](C(=O)NNc2cnnn2C)CO1 1329573609 KJLVNZUVBMVRLK-RQJHMYQMSA-N 225.252 -0.317 50 20 BBGD Cc1cc(C=NNC(=O)CO)[nH]c1C(=O)O 1776052666 GLBOBXPZEBYHSG-UHFFFAOYSA-N 225.204 -0.536 50 20 BBGD O=C(NNC(=O)C1CC1)c1ccc(=O)[nH]c1 41781266 LTWUZSGTJLWPEH-UHFFFAOYSA-N 221.216 -0.454 50 20 BBGD O=C(O)CCCNS(=O)(=O)CCl 82513050 XOWNOTDNXAQPFN-UHFFFAOYSA-N 215.658 -0.033 50 20 BBGD C[C@@H]1CO[C@H](CO)CN1S(=O)(=O)CCl 88093842 GMUGGHNSPLYKQD-RQJHMYQMSA-N 243.712 -0.406 50 20 BBGD CCOc1cncc(Br)c1B(O)O 206060618 CJCZPDKWWPAPEB-UHFFFAOYSA-N 245.869 -0.077 50 20 BBGD C[C@@H](O)C(=O)NNc1nncc(N)c1Cl 389682207 FKZGTZVQFOLAFC-GSVOUGTGSA-N 231.643 -0.464 50 20 BBGD CC[C@@H](CCO)NCc1ccc(B(O)O)o1 585024869 FTDWYOSDRVFOHM-QMMMGPOBSA-N 227.069 -0.790 50 20 BBGD C=CC[C@@H](CO)CNCc1ccc(B(O)O)cc1 585033263 AGJKUHNRFBOOOW-GFCCVEGCSA-N 249.119 -0.359 50 20 BBGD CO[C@@]1(C)C[C@H]1NCc1ccc(B(O)O)cc1 585049944 MWIBFFCKOOUHNW-NEPJUHHUSA-N 235.092 -0.367 50 20 BBGD O=C(NCB(O)O)[C@@H]1Cc2ccccc2O1 585060355 CZRSYZSEARUOBC-VIFPVBQESA-N 221.021 -0.882 50 20 BBGD CCc1ccccc1CC(=O)NCB(O)O 585063427 YYBAPICNXKHVHK-UHFFFAOYSA-N 221.065 -0.080 50 20 BBGD COCCO[C@H](C)C(=O)NN=Cc1cc[nH]n1 755759885 GXVACDBNSYXRSH-MRVPVSSYSA-N 240.263 -0.089 50 20 BBGD CC(=O)NNC(=O)C[C@@](C)(O)C1CC1 756756615 RESFTSXVLKKUSI-SECBINFHSA-N 200.238 -0.295 50 20 BBGD COCC1(C(=O)NNC(=O)C2CC2)CC1 778524937 SGCSHGKRGVUJEZ-UHFFFAOYSA-N 212.249 -0.030 50 20 BBGD COCCN(C)NC(=O)[C@@H](O)CCSC 808075352 VYACPQALEOSCSA-QMMMGPOBSA-N 236.337 -0.290 50 20 BBGD CCN(CCO)NC(=O)CCCC(=O)OC 823873955 JONLLEJURXIICW-UHFFFAOYSA-N 232.280 -0.325 50 20 BBGD CCN1CCO[C@@H](C(=O)NN(C)CCOC)C1 837622529 BEHLWUQVQYVVMA-SNVBAGLBSA-N 245.323 -0.684 50 20 BBGD CC(C)Cn1nccc1C=NNC(=O)CO 842529853 CKTKDSOAJJNGHO-UHFFFAOYSA-N 224.264 -0.019 50 20 BBGD CCCOCC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 843648985 SRKRAXFRNFIQTE-RKDXNWHRSA-N 244.291 -0.015 50 20 BBGD C[C@@H](N)CN(C)S(=O)(=O)CBr 858639626 DOYNYSRNYXHNNL-RXMQYKEDSA-N 245.142 -0.052 50 20 BBGD CCNC(=O)N(C)NC(=O)[C@@H]1CCCNC1=O 867279018 PGGURSQPIXTOJE-SSDOTTSWSA-N 242.279 -0.795 50 20 BBGD CCn1ccc(CC(=O)NN(C)C[C@H](C)O)n1 910140105 HNIGQQSHSIJYRI-VIFPVBQESA-N 240.307 -0.211 50 20 BBGD COCC(=O)NNC(=O)NCC(F)(F)F 920437152 QVPHZUNCAQIGRM-UHFFFAOYSA-N 229.158 -0.475 50 20 BBGD CCNC(=O)NNC(=O)c1c[nH]c(C(N)=O)c1 1115897823 VXCAQGNJUKXLHK-UHFFFAOYSA-N 239.235 -0.923 50 20 BBGD O=C(O)CCCC(=O)N1CC[C@H](B(O)O)C1 1329291610 FOLAVODUQRIRDA-ZETCQYMHSA-N 229.041 -0.683 50 20 BBGD CNC(=S)N(C)NC(=O)c1csnn1 1329334661 PPSCGHMPKPWKNN-UHFFFAOYSA-N 231.306 -0.381 50 20 BBGD NC(=O)c1ccc(C=NNC(=O)CCO)cc1 1330901913 KMQIZVQZSXWGIY-UHFFFAOYSA-N 235.243 -0.382 50 20 BBGD C[C@@H](C(=O)NNC(=O)N(C)C)[C@@H]1CCC(=O)N1 1351362243 VUJXSJORCKQTFJ-RQJHMYQMSA-N 242.279 -0.797 50 20 BBGD O=C(O)C(=O)NN=C1CC(=O)N2CCCC[C@@H]12 1601638498 ZDXAADSHETWSJB-ZETCQYMHSA-N 239.231 -0.672 50 20 BBGD NNC(=O)c1cccnc1N1CCOCC1 44550481 FRELYYSCAZZERY-UHFFFAOYSA-N 222.248 -0.478 50 20 BBGD Cc1ccc(NC(=O)NNC(=O)CCO)cn1 127081796 HWBGZKIVLHVKQB-UHFFFAOYSA-N 238.247 -0.075 50 20 BBGD Cc1cc(C)c(C(=O)NNC(=O)CO)o1 182755079 IDINXPIYSDLZQB-UHFFFAOYSA-N 212.205 -0.350 50 20 BBGD CCOC(=O)NNC(=O)c1cnn(C)c1 198350039 KEEQLDWXKDNWII-UHFFFAOYSA-N 212.209 -0.189 50 20 BBGD OB(O)c1ccnc(OCC(F)(F)F)c1 238630316 GBKQHPFLUUCXJP-UHFFFAOYSA-N 220.943 -0.298 50 20 BBGD CN1CCC[C@@H](NC(=O)CCl)C1=O 307512582 MRUQSUVRCAVPEA-ZCFIWIBFSA-N 204.657 -0.038 50 20 BBGD COC(=O)NNC(=O)CN1CCSC1=O 490576979 YMWKNNKVFDVYDF-UHFFFAOYSA-N 233.249 -0.458 50 20 BBGD OC/C=C/CNCc1ccc(B(O)O)cc1F 585047810 VWMWVUAAJFVACJ-OWOJBTEDSA-N 239.055 -0.856 50 20 BBGD CCO[C@H](CC(=O)NCB(O)O)C(C)C 585060081 MFTAUVCANWAZJU-MRVPVSSYSA-N 217.074 -0.434 50 20 BBGD C[C@@H](C(=O)NCB(O)O)N1CCCCCC1 585061637 XFDXXOPYRFKQAV-VIFPVBQESA-N 228.101 -0.621 50 20 BBGD CCOC(=O)C1(C(=O)NNC(=O)NC)CCC1 751697743 FOGRMNBYSJIUMB-UHFFFAOYSA-N 243.263 -0.320 50 20 BBGD CCc1noc(C)c1C(=O)NNC(=O)CO 776188281 AVYRAMOMGSJJRO-UHFFFAOYSA-N 227.220 -0.701 50 20 BBGD CC(C)n1nccc1C=NNC(=O)CO 794526266 IMLZHZCVUQRCKE-UHFFFAOYSA-N 210.237 -0.094 50 20 BBGD COC[C@](C)(O)C(=O)NNc1ncncc1F 817080894 JLEIJVPZESLHMI-VIFPVBQESA-N 244.226 -0.544 50 20 BBGD COCCN(C)NC(=O)[C@]1(C)CCNC1=O 822842967 GABHIMYOGVMVHR-SNVBAGLBSA-N 229.280 -0.878 50 20 BBGD CCOC(=O)C1(C(=O)NN(C)[C@@H](C)CO)CC1 823952982 WCEQSHRMXRRQOY-QMMMGPOBSA-N 244.291 -0.327 50 20 BBGD C#CCSCC(=O)NNC(=O)c1ncon1 832831004 ZCQLARNIKGLWQI-UHFFFAOYSA-N 240.244 -0.803 50 20 BBGD O=C(CO)NNc1ncc(F)cc1F 857533001 DBQDWYCAIHRKCM-UHFFFAOYSA-N 203.148 -0.205 50 20 BBGD NCCCC(=O)NNC(=O)Nc1ccccn1 857763917 AVLCEZDSLVDDCU-UHFFFAOYSA-N 237.263 -0.027 50 20 BBGD CCCNC(=O)NNC(=O)/C=C\COC 865023258 XKARDUFRJLSULI-PLNGDYQASA-N 215.253 -0.071 50 20 BBGD CCn1cc(C(=O)NNC(=O)NC)cn1 1116063971 HNKANEJYRBNVMG-UHFFFAOYSA-N 211.225 -0.523 50 20 BBGD O=C1CC[C@H](C(=O)NNc2ncncc2F)N1 1117730559 LDRBOOHOPNWPOB-ZCFIWIBFSA-N 239.210 -0.663 50 20 BBGD Cn1ncc2c(=O)n(NC=C(C#N)C#N)cnc21 1317769174 ZUPYNCLVZHUAJA-UHFFFAOYSA-N 241.214 -0.395 50 20 BBGD Cc1c[nH]nc1C(=O)NNC(=O)NC1CC1 1327588971 BKLASRKVYKGYFA-UHFFFAOYSA-N 223.236 -0.175 50 20 BBGD O=C(O)COCC(=O)NNc1ncccn1 1329578851 FNLVOFFCGFTBQA-UHFFFAOYSA-N 226.192 -0.979 50 20 BBGD CS(=O)(=O)CCC(=O)NNc1cccnn1 1330737606 PMOPEDWDMFBUBP-UHFFFAOYSA-N 244.276 -0.646 50 20 BBGD O=C(CCn1cccn1)N1CC[C@@H](B(O)O)C1 1331828732 ZAKOJELNSKSGKI-SECBINFHSA-N 237.068 -0.652 50 20 BBGD CN(NC(=O)Cn1cc(C2CC2)nn1)C(N)=O 1341909062 HSLAVHAOQAMFEO-UHFFFAOYSA-N 238.251 -0.803 50 20 BBGD NNC(=O)[C@H]1CCCN(C(=O)C2CC2)C1 37400296 KUTIORNAMCHUMC-QMMMGPOBSA-N 211.265 -0.375 50 20 BBGD C[C@@H](CCO)NCc1ccc(B(O)O)cc1F 585028574 LLCOOMUQLZWDKR-QMMMGPOBSA-N 241.071 -0.634 50 20 BBGD COCCc1nc(-c2ccc(B(O)O)cc2)no1 585049219 LVOCCABTAVDIFB-UHFFFAOYSA-N 248.047 -0.395 50 20 BBGD Cc1cccc(C(=O)NCB(O)O)c1[N+](=O)[O-] 585055857 KONKEIUYCLLLIL-UHFFFAOYSA-N 238.008 -0.355 50 20 BBGD CN1CCN(S(=O)(=O)CCl)[C@H](CO)C1 699498583 IIHHUOUVAYHGEP-ZETCQYMHSA-N 242.728 -0.879 50 20 BBGD CCOCCC(=O)NNC(=O)C(=O)NC(C)C 728187999 ZZGISAODQVHFDD-UHFFFAOYSA-N 245.279 -0.915 50 20 BBGD CCOCC(=O)NNC(=O)NCCSC 731281974 DBBGCFVBIFWDRA-UHFFFAOYSA-N 235.309 -0.284 50 20 BBGD Cc1n[nH]cc1C(=O)NNC(=O)Cn1cccn1 732084049 HVSGCMCCDFMAKH-UHFFFAOYSA-N 248.246 -0.624 50 20 BBGD Cc1cc(NNC(=O)CNC(=O)O)ncn1 738238707 AQLAREWGNDRJCV-UHFFFAOYSA-N 225.208 -0.504 50 20 BBGD Cc1c(C(=O)NNC(=O)CN(C)C)cnn1C 759087758 MCABVKJJHHMSMN-UHFFFAOYSA-N 239.279 -0.949 50 20 BBGD CN(C)CC(=O)NNC(=O)[C@H]1CC12CCC2 760123461 XRXMBXYMEUUEIK-MRVPVSSYSA-N 225.292 -0.114 50 20 BBGD COC(=O)CSCCC(=O)NNC(C)=O 765989704 HIDICCMTZISZCB-UHFFFAOYSA-N 234.277 -0.550 50 20 BBGD CCOCC(=O)NN=Cc1cn(C)cn1 794508167 RFFBVUWZHZQURT-UHFFFAOYSA-N 210.237 -0.093 50 20 BBGD CC1(C)CN[C@H]1C(=O)NNc1ncccn1 826726146 GCUAMRAIUIWRKL-ZETCQYMHSA-N 221.264 -0.082 50 20 BBGD C[C@@H]1OCC[C@@H]1C(=O)NNC1=NCC(O)=C1 842557552 VZBMSVOSQVCCCN-XPUUQOCRSA-N 225.248 -0.114 50 20 BBGD CCC[C@H](C)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862455836 RNHFQCDEEXVBCD-YUMQZZPRSA-N 241.291 -0.151 50 20 BBGD CCCC=NNC(=O)CS(C)(=O)=O 863187195 BGBOFSPEYNJDSX-UHFFFAOYSA-N 206.267 -0.067 50 20 BBGD COCC(=NNC(=O)CS(C)(=O)=O)C1CC1 863187482 MSYOHTXAAPNBLG-UHFFFAOYSA-N 248.304 -0.440 50 20 BBGD CCCCNC(=O)NNC(=O)C(OC)OC 874193021 FLUXQVGHIGNDRJ-UHFFFAOYSA-N 233.268 -0.264 50 20 BBGD CCC(=O)NNC(=O)[C@@H](C)N[C@@H](C)CC#N 878818050 KKTJAPPWZSPTGW-JGVFFNPUSA-N 226.280 -0.176 50 20 BBGD N#CC1=CCN(C(=O)[C@H]2C[C@H]2C(N)=O)CC1 901264777 BJCYVRZBONYJFR-BDAKNGLRSA-N 219.244 -0.210 50 20 BBGD CC(=O)NNC(=O)[C@H](C)CN1CCOCC1 913247963 RWSZJHDFANZQJI-MRVPVSSYSA-N 229.280 -0.878 50 20 BBGD C[C@H]1Cc2cc(NC(=O)C(=O)NN)ccc2O1 927796513 NNZULXZOUXHPLL-LURJTMIESA-N 235.243 -0.062 50 20 BBGD Cn1nccc1C(=O)NNc1ncccn1 1318043145 OFYWMIRXHPENFZ-UHFFFAOYSA-N 218.220 -0.033 50 20 BBGD O=C(NNC(=O)C1CCC1)c1ccc(O)nn1 1318695042 SLVNOTQUWNFMIF-UHFFFAOYSA-N 236.231 -0.257 50 20 BBGD C[C@H](CO)N(C)NC(=O)C12CC(C(=O)O)(C1)C2 1592761367 AHKGULLCKCJSRH-CAZGOSDBSA-N 242.275 -0.415 50 20 BBGD CC[C@@H](C(=O)O)C(=O)NNC(=O)NC 1594755840 UXHIDFWCCKMKBN-SCSAIBSYSA-N 203.198 -0.943 50 20 BBGD O=C(NNC(=O)c1cc[nH]n1)c1cccnc1 48016982 DSFFMUMOVIPLPZ-UHFFFAOYSA-N 231.215 -0.121 50 20 BBGD C#CCNC(=O)NNc1ncncc1F 491805170 OFBDYWRBWZDSBC-UHFFFAOYSA-N 209.184 -0.125 50 20 BBGD C[C@H]1C[C@@H](C)O[C@@H]1C(=O)N1CC[C@H](B(O)O)C1 585064752 SUKAIHHKRTXZHP-JXUBOQSCSA-N 241.096 -0.125 50 20 BBGD CN1CC[C@H](C(=O)NNc2cnccn2)CC1=O 734245261 NZMXYATVOAIYRN-QMMMGPOBSA-N 249.274 -0.212 50 20 BBGD CN(CCCC(=O)NNC(=O)C1CC1)C(=O)O 737427776 YODRXLSAOAPWFW-UHFFFAOYSA-N 243.263 -0.066 50 20 BBGD O=C(NCC1CC1)NNC(=O)[C@@H]1C[C@H]1C(=O)O 739408495 YXXWQOUMGQGOKV-RNFRBKRXSA-N 241.247 -0.553 50 20 BBGD CC(C)C(=O)NNC(=O)[C@H]1CCCN1C 748554916 KDOYUXXYCYTFRC-MRVPVSSYSA-N 213.281 -0.116 50 20 BBGD C#CCCCC(=O)NNC(=O)[C@H]1COCCO1 757983352 BJFSDFDZNLTIBJ-SECBINFHSA-N 240.259 -0.647 50 20 BBGD CCn1nccc1C(=O)NNC(=O)C(C)(C)O 768261065 QOBILAXAMVPMRF-UHFFFAOYSA-N 240.263 -0.565 50 20 BBGD CC(C)(O)C(=O)NNC(=O)c1cc[nH]c1 768261626 NMIXKURODGQAMI-UHFFFAOYSA-N 211.221 -0.453 50 20 BBGD COC[C@@H](NC=C(C#N)C#N)C(=O)OC 777869919 QJVXQMXMTGBHOE-MRVPVSSYSA-N 209.205 -0.305 50 20 BBGD O=C(N=c1cc[nH]cc1)NNC(=O)c1cocn1 802035323 FEEUHLUSAREKRS-UHFFFAOYSA-N 247.214 -0.042 50 20 BBGD CCn1nncc1C(=O)NNC(=O)C(C)C 814734105 CDOVQOSTZAILII-UHFFFAOYSA-N 225.252 -0.285 50 20 BBGD O=C(CNC(=O)c1cccnc1)NN=C1COC1 814873785 QEYIBQNYTOCZRJ-UHFFFAOYSA-N 248.242 -0.686 50 20 BBGD CC(C)(C)C(=O)NCC(=O)NNc1nc[nH]n1 816632205 YNGRHDVCJDNKOC-UHFFFAOYSA-N 240.267 -0.590 50 20 BBGD C[C@H](CO)N(C)NC(=O)[C@@H]1CCOC1 823384121 CHGGFCAOZFCTRR-HTQZYQBOSA-N 202.254 -0.633 50 20 BBGD CCC(=O)NNC(=O)[C@@H](C)N1CCCNCC1 843345164 XHTSKHJGNOVMSE-SECBINFHSA-N 242.323 -0.772 50 20 BBGD C=C[C@@](C)(O)C(=O)NN(C)C(=S)NC 854927347 DPAWEVSYDKZIGC-MRVPVSSYSA-N 217.294 -0.609 50 20 BBGD CNC(=O)NNC(=O)[C@@H](C)Cn1ccc(C)n1 864992654 LKKDJIVKJGRFFN-ZETCQYMHSA-N 239.279 -0.212 50 20 BBGD CC[C@@H](O)[C@@H](C)C(=O)NNC(=O)C1CC1 899938174 WBAUGASSGFQPSV-HTRCEHHLSA-N 214.265 -0.049 50 20 BBGD N#Cc1ncn(CC(=O)NNC(=O)CC2CC2)n1 1117734628 CDDCAHQSNCVMFA-UHFFFAOYSA-N 248.246 -0.903 50 20 BBGD CC(F)(F)C(=O)N1CC[C@@H](B(O)O)C1 1118976710 ZFNABHAUBSXZNM-RXMQYKEDSA-N 206.985 -0.283 50 20 BBGD C[C@@H](CO)N(C)NC(=O)c1cc(CO)on1 1119047873 OAEBEIZZVXPENG-LURJTMIESA-N 229.236 -0.876 50 20 BBGD CNC(=O)NNC(=O)c1cnc(Cl)n1C 1352202264 CBANPSVIVWLVFM-UHFFFAOYSA-N 231.643 -0.353 50 20 BBGD CN(NC(=O)COCC(=O)O)C1CC1 1593766607 USSFBEBGSORZGW-UHFFFAOYSA-N 202.210 -0.787 50 20 BBGD CCCCNC(=O)NNC(=O)CC(=O)O 1595759858 RFENZHTYNGEBLP-UHFFFAOYSA-N 217.225 -0.408 50 20 BBGD C=CCNC(=S)NNC(=O)[C@@H]1CCOC1 66959526 MYSQSSCJEFQFLS-SSDOTTSWSA-N 229.305 -0.296 50 20 BBGD CCOCCC(=O)NNC(=O)c1cnn(C)c1 117680461 BDOFICGAIWYUAA-UHFFFAOYSA-N 240.263 -0.392 50 20 BBGD C=C[C@@](C)(O)CC(=O)Nc1cccc(B(O)O)c1 584914535 ZURGRTIFLGNIRL-GFCCVEGCSA-N 249.075 -0.368 50 20 BBGD C[C@H](O)C[C@@H](C)NCc1ccccc1B(O)O 585034097 GMNKOWZINXZZFZ-ZJUUUORDSA-N 237.108 -0.385 50 20 BBGD O=C(NCB(O)O)c1ccccc1-n1cccn1 585056092 OTZIVTMAQRXXNJ-UHFFFAOYSA-N 245.047 -0.386 50 20 BBGD CC(C)n1ccc(CC(=O)NNC(=O)CO)n1 753440128 XHRJWVBUJOXJED-UHFFFAOYSA-N 240.263 -0.854 50 20 BBGD COC[C@@](C)(O)C(=O)NNC(=O)C(C)C 754972727 CCZYKWQUTXGTBK-SECBINFHSA-N 218.253 -0.813 50 20 BBGD COC[C@@H](C)CC(=O)NNC(=O)C(C)(C)O 768245731 UTLOCMNBXZXRPG-ZETCQYMHSA-N 232.280 -0.423 50 20 BBGD Cn1cccc1C(=O)NNC(=O)c1cncn1C 788267457 SDEFMMYYFWXOFE-UHFFFAOYSA-N 247.258 -0.167 50 20 BBGD CO[C@H]1CCC[C@H](CC(=O)NNC(=O)CO)C1 795238595 LJNXBYCHMUOVRO-IUCAKERBSA-N 244.291 -0.279 50 20 BBGD CO[C@H](C)CS(=O)(=O)NNC(=O)C(C)C 800831329 TYTNXFQMJIGTIS-SSDOTTSWSA-N 238.309 -0.372 50 20 BBGD COC(=O)[C@@H]1C[C@@H]1C(=O)NN(C)[C@@H](C)CO 823929335 XUEOSRKGKIPHBU-BIIVOSGPSA-N 230.264 -0.861 50 20 BBGD CCNC(=O)N(C)NC(=O)[C@@H](N)C1CCC1 831944863 KAUOLPUDMMIVGR-QMMMGPOBSA-N 228.296 -0.194 50 20 BBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)CC#N 843970561 HYBHWGJBPCFYNZ-RQJHMYQMSA-N 211.221 -0.528 50 20 BBGD O=C(NNC(=S)NCC1CC1)c1cc[nH]n1 849277412 WWAWIVJWNASGRO-UHFFFAOYSA-N 239.304 -0.071 50 20 BBGD COC(=O)N(C)NC(=O)[C@@H](NC=O)C(C)C 861656666 UDJPHIBONQRYRR-ZETCQYMHSA-N 231.252 -0.514 50 20 BBGD COC(=O)COCCNC=C(C#N)C#N 864348749 DVYGGIKSOAJUMU-UHFFFAOYSA-N 209.205 -0.303 50 20 BBGD COCCOCC(=O)NNC(=O)COC(C)C 869909537 ZNPBHGKWBXPQMP-UHFFFAOYSA-N 248.279 -0.778 50 20 BBGD C=C[C@@](C)(O)C(=O)NN(C)C[C@H](C)O 910150965 XQENFBMSWSYFAY-IONNQARKSA-N 202.254 -0.733 50 20 BBGD CCOCCO[C@H](C)C(=O)NNC(C)=O 920430457 SZLZLVQBYKXVAO-SSDOTTSWSA-N 218.253 -0.405 50 20 BBGD CNC(=O)NNC(=O)[C@H]1CCC(=O)C[C@@H]1C 1319873117 HBOYXRJAEZBAQK-XPUUQOCRSA-N 227.264 -0.048 50 20 BBGD COc1nccnc1NNC(=O)c1cnn[nH]1 1320237421 OIZYGCPCHSZLMX-UHFFFAOYSA-N 235.207 -0.640 50 20 BBGD CC(C)C(=O)NNC(=O)C(=O)NC1CC1 1321878805 TXSCHBOGLRGBIF-UHFFFAOYSA-N 213.237 -0.932 50 20 BBGD CCNC(=O)CCCC(=O)NNC(=O)N(C)C 1322757627 OBYRPTQGLJDQGW-UHFFFAOYSA-N 244.295 -0.405 50 20 BBGD CC(=O)NNC(=O)C1(C(=O)NC2CC2)CC1 1324630425 QLHIAKYYUSPSFM-UHFFFAOYSA-N 225.248 -0.788 50 20 BBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@@H](O)C1CC1 1328740707 HASDPKWWUIJQFU-XVYDVKMFSA-N 242.275 -0.670 50 20 BBGD CCc1ncoc1C(=O)NNC(=O)CCN 1578298038 RCCJQNGLEGDIFL-UHFFFAOYSA-N 226.236 -0.653 50 20 BBGD CCCCCCNC(=O)NNC(=O)C(=O)O 1609968836 OVGNKVYXXQBCNI-UHFFFAOYSA-N 231.252 -0.018 50 20 BBGD CNC(=O)NNC(=O)C12CC(C(=O)O)(C1)C2 1610141306 ZQTCLPUTRUSNNY-UHFFFAOYSA-N 227.220 -0.799 50 20 BBGD CNC(=O)/C(C#N)=C/c1c(C(=O)O)cnn1C 1776126016 ZNJPUQLHXXBXFS-ZZXKWVIFSA-N 234.215 -0.229 50 20 BBGD N#CC(C#N)=CNNC(=O)c1cnccn1 23608054 YJVQEVYDJMFVOW-UHFFFAOYSA-N 214.188 -0.358 50 20 BBGD CC(=O)NNC(=O)CSc1nc(C)n[nH]1 75312349 XHNVKYVNALFMRI-UHFFFAOYSA-N 229.265 -0.627 50 20 BBGD C#CCN(CC#N)CC(=O)NNC(=O)C1CC1 491440700 QVIBCQUYPALYEU-UHFFFAOYSA-N 234.259 -0.997 50 20 BBGD CCNC(=O)NNC(=O)CNC(=O)OCC 492630899 BCXJWRDWUAXIIS-UHFFFAOYSA-N 232.240 -0.917 50 20 BBGD COC(=O)N(C)NC(=O)COC(F)F 495627731 XZPSRVFEVJICRF-UHFFFAOYSA-N 212.152 -0.045 50 20 BBGD COC(=O)NN=C1CCN(CCO)CC1 496053912 UKNFUGSIPULSLP-UHFFFAOYSA-N 215.253 -0.214 50 20 BBGD C[C@@H]1OC(=O)N[C@@H]1C(=O)NNc1ncccn1 497100049 PYCMRYWMEMLLPT-WDSKDSINSA-N 237.219 -0.583 50 20 BBGD O=C(c1cccc(B(O)O)c1)N1C[C@H]2CC[C@@H]2C1 585008962 ZHPVZQNBUUDBHY-GHMZBOCLSA-N 245.087 -0.152 50 20 BBGD OB(O)c1ccc(CNC[C@@H]2CC2(F)F)o1 585047789 GVVRAEVKOXRKND-LURJTMIESA-N 231.007 -0.296 50 20 BBGD CCC[C@H](C)CS(=O)(=O)NCB(O)O 585055763 ISABCJNUVJTMRV-ZETCQYMHSA-N 223.103 -0.646 50 20 BBGD C[C@H]1CN(C)CC1=NNC(=O)C(C)(C)O 785463986 ZHHCEUCMUDYMHL-ZETCQYMHSA-N 213.281 -0.189 50 20 BBGD COc1ccc(CC(=O)NNC(C)=O)nc1 789867683 WQUDRFLPMSISPV-UHFFFAOYSA-N 223.232 -0.200 50 20 BBGD C[C@H](CO)N(C)NC(=O)c1cnn(C)c1 823983641 YLYZRSJRMVKCEH-SSDOTTSWSA-N 212.253 -0.623 50 20 BBGD CCO[C@@H](C(=O)NNC(=O)NC)C1CC1 858748686 WAIYUWMGVBRGFQ-SSDOTTSWSA-N 215.253 -0.238 50 20 BBGD CC[C@H](NC(C)=O)C(=O)NNC(=O)C(C)C 864491160 SJZKMNWNOASCGC-QMMMGPOBSA-N 229.280 -0.296 50 20 BBGD CCCNC(=O)NNC(=O)[C@H]1COCCO1 921038327 SRMFTYBJIZEREK-SSDOTTSWSA-N 231.252 -0.858 50 20 BBGD CN1CC[C@H](C(=O)NNc2cccnn2)C1=O 1116669630 GOFMVEMBRIMRIL-SSDOTTSWSA-N 235.247 -0.602 50 20 BBGD CC(C)n1nccc1C=NNC(=O)C(N)=O 1321221405 VIQUILAYHNJEJM-UHFFFAOYSA-N 223.236 -0.601 50 20 BBGD Cc1nn(C)c(C)c1C(=O)NNC(=O)N(C)C 1322111802 ZGKRKSSCILVBKR-UHFFFAOYSA-N 239.279 -0.047 50 20 BBGD CO[C@@H](C)C(=O)N1CC[C@@H](B(O)O)C1 1329291696 GJFSKVNKRQSDIP-NKWVEPMBSA-N 201.031 -0.903 50 20 BBGD CCOC1(C(=O)NNC(C)=O)CCOCC1 1329986336 BWDTXWUDUCIPTF-UHFFFAOYSA-N 230.264 -0.261 50 20 BBGD COC(=O)C(=O)NNC(=S)NC1CCC1 1330267723 QIBNMVSMAXLFSO-UHFFFAOYSA-N 231.277 -0.793 50 20 BBGD NC(=O)CCCC(=O)NNc1ncccn1 1337982837 QKYDDNVQNUBWCY-UHFFFAOYSA-N 223.236 -0.425 50 20 BBGD Cc1cc(NNC(=O)[C@@H](C)N)nc(N)n1 1579638052 PMDLYSDDTQQROX-RXMQYKEDSA-N 210.241 -0.842 50 20 BBGD CC1(C)COC[C@H]1NCc1ccc(B(O)O)o1 585044860 WIXTZCMTEWBLOY-SECBINFHSA-N 239.080 -0.526 50 20 BBGD Cc1cc(F)cc(C(=O)NCB(O)O)c1 585060622 HUYNGLKIQSJMHO-UHFFFAOYSA-N 211.001 -0.124 50 20 BBGD Cc1cc(C(=O)NCB(O)O)ccc1F 585060961 MKRVDQIBCPSRNU-UHFFFAOYSA-N 211.001 -0.124 50 20 BBGD O=S(=O)(CCCCl)NCC#CCO 717532274 KYDBMIZQKSMSRK-UHFFFAOYSA-N 225.697 -0.470 50 20 BBGD CS[C@H](C)C(=O)NNC(=O)Cc1cc[nH]n1 730093118 YYZJBXIRAZQHQM-ZCFIWIBFSA-N 242.304 -0.149 50 20 BBGD O=C(NNC(=O)[C@@H]1C[C@@H]1C(=O)O)c1ccc[nH]1 739454542 SFPWMXYDEGHDFO-RITPCOANSA-N 237.215 -0.504 50 20 BBGD O=C(O)NCCCC(=O)NNC(=O)C1CC1 739957342 RLFTZWCJDDWOOG-UHFFFAOYSA-N 229.236 -0.408 50 20 BBGD O=C(NNc1ncc(F)cn1)[C@@H]1COCCO1 760908404 OARVTYHPZXVIRR-ZETCQYMHSA-N 242.210 -0.526 50 20 BBGD CC(C)CO[C@H](C)C(=O)NNC(=O)C(C)(C)O 768261082 LEHRCJIFMVSVOU-MRVPVSSYSA-N 246.307 -0.034 50 20 BBGD COc1ccc(NNC(=O)c2cnn[nH]2)nc1 781521732 XWXXJMVGMNWPSG-UHFFFAOYSA-N 234.219 -0.035 50 20 BBGD CC(=O)NNC(=O)[C@](C)(O)C1CCC1 813363677 PYVHQWLIPVOUAL-SECBINFHSA-N 200.238 -0.295 50 20 BBGD O=C(CO)NN=Cc1cc(CO)ccc1O 814896145 KUWBLLIINRDLCK-UHFFFAOYSA-N 224.216 -0.673 50 20 BBGD CCN(CCO)NC(=O)[C@H]1C[C@H]2CC[C@H]1O2 823860451 SMKKFBPSNKTQJM-KXUCPTDWSA-N 228.292 -0.101 50 20 BBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)[C@@H](C)N(C)C 824017042 YXGHPDHXPAHYOC-IWSPIJDZSA-N 243.307 -0.491 50 20 BBGD CC(C)NC(=O)NNC(=O)CN1CCCC1 874247357 QYQOLIDFUBFBLA-UHFFFAOYSA-N 228.296 -0.179 50 20 BBGD OC[C@H]1C[C@@H](NCc2cccc(B(O)O)c2)C1 877666487 CLDSVGJKGQQSMV-KLPPZKSPSA-N 235.092 -0.773 50 20 BBGD Cc1cc(C=NNC(=O)C(N)=O)c(C)[nH]1 1317724263 KUTSPQOVUFODLT-UHFFFAOYSA-N 208.221 -0.433 50 20 BBGD CC(C)NC(=O)C(=O)NN=Cc1ncc[nH]1 1318612403 LHLHDKKYGCNSFA-UHFFFAOYSA-N 223.236 -0.616 50 20 BBGD CNC(=O)NNC(=O)c1cnc(OC)nc1 1318825369 BZTAIRRGNQNFBC-UHFFFAOYSA-N 225.208 -0.941 50 20 BBGD NC(=O)N1CCC[C@H]1C(=O)NNC(=O)C1CC1 1319320980 MSXJQMFEFDYUII-ZETCQYMHSA-N 240.263 -0.913 50 20 BBGD Cn1ccc(NNC(=O)[C@@H]2CCCNC2=O)n1 1332815443 YIUQFSGVEHADOY-SSDOTTSWSA-N 237.263 -0.611 50 20 BBGD CCOC(=O)NCCC(=O)NNC(=O)OCC 42349205 UHUNPRSORAILHY-UHFFFAOYSA-N 247.251 -0.100 50 20 BBGD CCS(=O)(=O)NCCNC(=O)CCl 379398226 RZFSJZZGEYDNQT-UHFFFAOYSA-N 228.701 -0.719 50 20 BBGD O=C(c1ccc(B(O)O)cc1)N1CCCOCC1 584938361 ZOZHSZGPYNHCFO-UHFFFAOYSA-N 249.075 -0.771 50 20 BBGD Cn1cncc1CNCc1cccc(B(O)O)c1 585041445 PGOWPHZBTIGGJN-UHFFFAOYSA-N 245.091 -0.610 50 20 BBGD C=CCC[C@H](CO)NCc1ccccc1B(O)O 585044952 XYCNMPXJNDZMKG-GFCCVEGCSA-N 249.119 -0.217 50 20 BBGD C[C@H]1C[C@H](NCc2ccc(B(O)O)cc2)CO1 585048206 KZOZINVOIFUPSP-CABZTGNLSA-N 235.092 -0.367 50 20 BBGD CN(C)c1nccc(N2CC[C@@H](B(O)O)C2)n1 585074381 YECRGHDHPQJQBG-MRVPVSSYSA-N 236.084 -0.404 50 20 BBGD O=C(NNC(=O)c1ncccn1)c1cnccn1 746109683 SIMJTTWDJVXLEY-UHFFFAOYSA-N 244.214 -0.659 50 20 BBGD CC[C@H](CO)C(=O)NNC(=O)NC(C)C 779753934 QXSJJBWZLVLUEH-SSDOTTSWSA-N 217.269 -0.256 50 20 BBGD CC(C)CC(=O)NNC(=O)[C@@H]1CCC(=O)N1C 785135765 MFZZXZCWZSWUGZ-QMMMGPOBSA-N 241.291 -0.199 50 20 BBGD C[C@H](O)C(=O)NNC(=O)NC1CCCC1 786844516 PNICIFYEOWXXLN-LURJTMIESA-N 215.253 -0.360 50 20 BBGD COC(=O)N(C)NC(=O)C(C)(C)NC(C)=O 804124452 SQDTZNNAMRGBEZ-UHFFFAOYSA-N 231.252 -0.370 50 20 BBGD C[C@@H](CO)N(C)NC(=O)c1ccc2nncn2c1 823964841 FBBRFJFWDPHFNW-QMMMGPOBSA-N 249.274 -0.313 50 20 BBGD O=C(NNC(=O)C1CC1)c1ccn2nnnc2c1 854180268 KWEAPZOHWCYFLU-UHFFFAOYSA-N 246.230 -0.705 50 20 BBGD CC(C)[C@H](O)C(=O)NNc1ccncn1 857521188 BJQHYJYODAHGSD-QMMMGPOBSA-N 210.237 -0.063 50 20 BBGD CC(CCN(C)C)=NNC(=O)[C@@H]1CCC(=O)N1 863153414 UANCXHMTUICSFK-VIFPVBQESA-N 240.307 -0.291 50 20 BBGD CC[C@H](NC(C)=O)C(=O)NN(C)C(=S)NC 868860694 HFKAAFZNMVRFPL-ZETCQYMHSA-N 246.336 -0.632 50 20 BBGD CC(=O)NNC(=O)CCn1c(C)csc1=O 1321191970 DYCAXFQASIEKOF-UHFFFAOYSA-N 243.288 -0.224 50 20 BBGD CC[C@@H](C)[C@H](NNC(=O)C(=O)OC)C(=O)OC 1353980026 BSNQQRZRDJCLPM-RQJHMYQMSA-N 246.263 -0.632 50 20 BBGD O=C(NNC(=O)C(=O)O)N[C@@H]1CC[C@H]2C[C@H]2C1 1601553037 RNXRAMRPPHHQGJ-LYFYHCNISA-N 241.247 -0.410 50 20 BBGD CCn1c(=O)n(CC(=O)NN)c2ccccc21 70153968 MIJYMXMWDSJLRC-UHFFFAOYSA-N 234.259 -0.187 50 20 BBGD COCCC(=O)NNC(=O)c1cccn1C 171355821 NVLUSDBWYYFGOE-UHFFFAOYSA-N 225.248 -0.177 50 20 BBGD O=C(CO)NNC(=O)Nc1ccc(F)cc1 186379714 ZWTQMAZHIXBWPH-UHFFFAOYSA-N 227.195 -0.029 50 20 BBGD OCC[C@@H](NCc1ccccc1B(O)O)C1CC1 585025643 ZIPFZERSIJDDFO-CYBMUJFWSA-N 249.119 -0.383 50 20 BBGD CCOCCNC(=S)NNC(=O)CC 750972207 CIINWVIOGXOCRF-UHFFFAOYSA-N 219.310 -0.072 50 20 BBGD CO[C@H](C(=O)NNC(=O)CN(C)C)C(C)C 771740728 IQSNZDKYNHADEA-VIFPVBQESA-N 231.296 -0.634 50 20 BBGD Nc1nccnc1C(=O)NN=c1cc[nH]cc1 780761251 OJKYFYBXIVBODK-UHFFFAOYSA-N 230.231 -0.367 50 20 BBGD COC(=O)N(C)NC(=O)[C@H]1CCN(C)C1=O 804125312 BQWIAGIVQIARCE-ZCFIWIBFSA-N 229.236 -0.806 50 20 BBGD CN(NC(=O)c1cc(C(N)=O)c[nH]1)C1CC1 819648608 KWCVPLQBQXFRSJ-UHFFFAOYSA-N 222.248 -0.147 50 20 BBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@H]1C[C@@H](O)C1 824016544 NQWXTUDTQMSKLQ-RBXMUDONSA-N 242.275 -0.670 50 20 BBGD CCN(CC#N)C(=O)c1ccc(B(O)O)cc1 863871359 KMNJGXGWCORZPQ-UHFFFAOYSA-N 232.048 -0.648 50 20 BBGD NC(=O)c1cc(N2CC[C@@H](B(O)O)C2)ccn1 864233227 IESFAXWACYGGQC-SSDOTTSWSA-N 235.052 -0.766 50 20 BBGD C[C@H](C(=O)NNC(=O)NC1CC1)N(C)C 874193648 FXWKUIQFTQYYPQ-ZCFIWIBFSA-N 214.269 -0.571 50 20 BBGD CC[C@H](NNC(=O)C1CCOCC1)C(=O)OC 905816322 OLBRXLINLWZKPX-VIFPVBQESA-N 244.291 -0.015 50 20 BBGD COc1cnc(C(=O)NN(C)C[C@H](C)O)nc1 910145684 VQGBUOOBJLQHPY-ZETCQYMHSA-N 240.263 -0.557 50 20 BBGD C[C@H](O)CN(C)NC(=O)[C@@H]1CCC(=O)C1 910145956 GYJFTNGLPZQNSI-JGVFFNPUSA-N 214.265 -0.301 50 20 BBGD C[C@H](O)CN(C)NC(=O)c1cnccn1 910184259 YPVPAPIREZWNFS-ZETCQYMHSA-N 210.237 -0.566 50 20 BBGD CNC(=O)NNC(=O)[C@H]1CCC[C@H]1OC 1262605022 LDOCLWSISXVJEW-NKWVEPMBSA-N 215.253 -0.238 50 20 BBGD CCOC(=O)NNC(=O)C[C@@H]1COC(=O)C1 1319314601 SHYGWGZVTHVQGI-LURJTMIESA-N 230.220 -0.283 50 20 BBGD Cn1ccc(C(=O)NNC(=O)Cc2cc[nH]n2)n1 1320229276 DVICPXYCRPXLFB-UHFFFAOYSA-N 248.246 -0.853 50 20 BBGD CC(C)(O)C(=O)NNC(=O)c1csc(O)n1 1322389769 VYDIDZOCBNMJJT-UHFFFAOYSA-N 245.260 -0.619 50 20 BBGD CN(NC(=O)CC1OCCCO1)C(N)=O 1322415591 GFHPYFOBOYMNAM-UHFFFAOYSA-N 217.225 -0.819 50 20 BBGD COC(=O)NNC(=O)C(=O)c1cccn1C 1324650862 SCQGYXNEMFOPIU-UHFFFAOYSA-N 225.204 -0.405 50 20 BBGD CC(=NNC(=O)[C@@H]1CCC(=O)N1)c1cnc[nH]1 1329555584 AJUSNANIKLURBD-ZETCQYMHSA-N 235.247 -0.472 50 20 BBGD COCC(=O)NCCC(=O)NN(C)C1CC1 1332003953 HHEVUHSTKMSCFM-UHFFFAOYSA-N 229.280 -0.736 50 20 BBGD COC(=O)C(=O)NN=Cc1n[nH]cc1C 1343880986 AGIPCTHKEMOOEN-UHFFFAOYSA-N 210.193 -0.659 50 20 BBGD CC(C)C(=O)NNC(=O)[C@H]1CCCS1(=O)=O 1349779817 WWFWTZJIFQHQOY-SSDOTTSWSA-N 248.304 -0.633 50 20 BBGD O=C1CCCN1NS(=O)(=O)CCl 1351924073 ZAGCUPWUKLAKCI-UHFFFAOYSA-N 212.658 -0.361 50 20 BBGD CC(=NNC(=O)C(=O)O)[C@@H]1CCOC1 1589011183 SDSWCJAMAIFLJM-ZCFIWIBFSA-N 200.194 -0.400 50 20 BBGD C[C@H](C(=O)O)C(=O)NNC(=O)N(C)C 1602803906 BTCGRXDRWXNQHL-BYPYZUCNSA-N 203.198 -0.991 50 20 BBGD CCNC(=O)NNC(=O)c1nccnc1N 390148034 RXWNPXWIHLUHRT-UHFFFAOYSA-N 224.224 -0.977 50 20 BBGD OB(O)c1ccc(CNC[C@@H](O)C2CC2)cc1 585040864 QVVGSKMUZSLDGP-GFCCVEGCSA-N 235.092 -0.773 50 20 BBGD CC(C)CO[C@H](C)C(=O)NCB(O)O 585062119 QIATVCXHOGMICO-SSDOTTSWSA-N 203.047 -0.824 50 20 BBGD CCOCC(=O)NNC(=S)NCCN(C)C 731160777 CCURDNQWJWAGIQ-UHFFFAOYSA-N 248.352 -0.920 50 20 BBGD CC(C)CC(=O)NNS(=O)(=O)N1CCCC1 742025388 FOWVJQLRDNSLJC-UHFFFAOYSA-N 249.336 -0.006 50 20 BBGD CCNC(=O)NNC(=O)Cc1ccncc1 747440689 PIZYBLLMTSYVJD-UHFFFAOYSA-N 222.248 -0.026 50 20 BBGD CCC[C@H](O)CC(=O)NNC(=O)N(C)C 750263940 VTTCBNPXVMOMIC-ZETCQYMHSA-N 217.269 -0.160 50 20 BBGD O=C(CO)NNC(=O)C12CCC(CC1)C2 753452234 MJAXRDKSJOQURQ-UHFFFAOYSA-N 212.249 -0.294 50 20 BBGD Cn1nncc1C(=O)NNC(=O)C1CCC1 798961889 HGPISETUWYLYLV-UHFFFAOYSA-N 223.236 -0.624 50 20 BBGD C[C@@H](CO)N(C)NC(=O)C1CC(=O)C1 823938999 DRNVZRRWQSOOAX-LURJTMIESA-N 200.238 -0.691 50 20 BBGD COC/C=C/C(=O)NNC(=O)c1cnn(C)c1 865935942 AQURMFLPFQQRSY-ONEGZZNKSA-N 238.247 -0.616 50 20 BBGD C#CCCCC(=O)NNC(=O)c1cn(CC)nn1 887154791 ZLSIHMMUYMQFPZ-UHFFFAOYSA-N 249.274 -0.138 50 20 BBGD CN1CCC[C@@H]1C(=O)NNc1nc[nH]n1 897777972 VKKCSWVGTHQHPN-ZCFIWIBFSA-N 210.241 -0.658 50 20 BBGD O=C(NNc1ncncc1F)c1nc[nH]n1 1117750246 SWUJTBWFZLEOEK-UHFFFAOYSA-N 223.171 -0.509 50 20 BBGD Cn1ccc(C(=O)NN=c2cc[nH]cc2)cc1=O 1319945288 HLZDUADHEVFUQL-UHFFFAOYSA-N 244.254 -0.041 50 20 BBGD CCCNC(=O)NNC(=O)c1ncn(C)n1 1324306132 QMQVIPDYSLPGMV-UHFFFAOYSA-N 226.240 -0.831 50 20 BBGD O=C(NNc1cccnn1)[C@@]1(O)CCOC1 1348013954 GYLBPEDDQSEBED-SECBINFHSA-N 224.220 -0.929 50 20 BBGD C[C@@H](Cn1ccnc1)NC(=O)NNC(N)=S 47028528 ZSMFIDKEVKJEJF-LURJTMIESA-N 242.308 -0.681 50 20 BBGD Cc1ccc(C(=O)NNC(=O)CO)c(O)c1 180961098 GYGGUQMOQHTFFT-UHFFFAOYSA-N 224.216 -0.546 50 20 BBGD O=C(c1ccc(B(O)O)cc1)N1CC[C@@H](F)C1 202721167 FMOQTGREFTXSKB-SNVBAGLBSA-N 237.039 -0.450 50 20 BBGD Cc1ccn(-c2csc(B(O)O)c2)n1 238538300 HDCTTWFZGSTAOK-UHFFFAOYSA-N 208.051 -0.078 50 20 BBGD Cc1cc(C(=O)NNC(=O)C2CC2)n(C)n1 298774748 GSGRGVMUMRGPFQ-UHFFFAOYSA-N 222.248 -0.100 50 20 BBGD CC[C@H](CO)NCc1ccc(B(O)O)cc1F 585015377 YBDOPSDAGHZNEI-SNVBAGLBSA-N 241.071 -0.634 50 20 BBGD CCOCCNCc1ccccc1B(O)O 585033170 ZKDVCWMZJDYMNE-UHFFFAOYSA-N 223.081 -0.508 50 20 BBGD C=CC[C@H](CO)CNCc1cccc(B(O)O)c1 585033535 DNFRGYSWVNCGHB-LBPRGKRZSA-N 249.119 -0.359 50 20 BBGD CC1=C(C(=O)NNC(=O)CO)CCCO1 753445901 VCWYGLLYZCXUQO-UHFFFAOYSA-N 214.221 -0.790 50 20 BBGD C[C@H](C(=O)NN=c1cc[nH]cc1)S(C)(=O)=O 780756900 FJSSONZXFGQFMI-SSDOTTSWSA-N 243.288 -0.620 50 20 BBGD COC1(C=NNC(=O)C(N)=O)CCCC1 790142860 KMFMOSGZDGLESO-UHFFFAOYSA-N 213.237 -0.467 50 20 BBGD CCC[C@@H](NC(N)=O)C(=O)NN(C)C1CC1 819649663 WHTPCEQURQZTSN-MRVPVSSYSA-N 228.296 -0.051 50 20 BBGD CCN(CCO)NC(=O)c1ccc(C)nn1 823893532 MIZYFYBCNXGWHT-UHFFFAOYSA-N 224.264 -0.256 50 20 BBGD Cc1nccnc1C(=O)NNC(=O)C(C)(C)O 832755040 YZMZYTVJULASBX-UHFFFAOYSA-N 238.247 -0.683 50 20 BBGD CCC(=O)NNC(=O)[C@@H](C)N1CCN[C@H](C)C1 843350112 KIEGJEURORTNSP-RKDXNWHRSA-N 242.323 -0.774 50 20 BBGD C[C@H](C#N)C(=O)NNC(=O)[C@H]1CCO[C@@H]1C 843974714 CRLCKTSBLMTERD-PRJMDXOYSA-N 225.248 -0.282 50 20 BBGD C[C@H](CCN)NS(=O)(=O)CBr 850587162 QXXQEAJFHZEXQP-RXMQYKEDSA-N 245.142 -0.005 50 20 BBGD COCCN(C)NC(=O)C[C@@H]1CCC(=O)N1C 854409767 LUQWPBPZZXBXCO-VIFPVBQESA-N 243.307 -0.393 50 20 BBGD CC(C)[C@H]1C[C@@H](C(=O)NNC(=O)CO)CCO1 897607044 XVWNPGHMONLAMH-DTWKUNHWSA-N 244.291 -0.423 50 20 BBGD C[C@@]1(C(=O)NCC(N)=O)C[C@@H]1Br 905862944 AUMACRVAVWOFIF-MHTLYPKNSA-N 235.081 -0.239 50 20 BBGD C[C@H](O)CN(C)NC(=O)[C@H]1CCO[C@H]1C 910156659 VRYIMTDJAKJIGM-CIUDSAMLSA-N 216.281 -0.245 50 20 BBGD CCN(CCO)NC(=O)c1cnc(C)n1C 911438026 DNKKKAAJEBIQDM-UHFFFAOYSA-N 226.280 -0.312 50 20 BBGD Cc1nccc(CCC(=O)NN(C)C(N)=O)n1 1261243696 OJTSNJKJWJUFDC-UHFFFAOYSA-N 237.263 -0.241 50 20 BBGD CCCNC(=O)NNS(=O)(=O)c1cnc[nH]1 1328880234 IJYVRDCMZNZYQX-UHFFFAOYSA-N 247.280 -0.688 50 20 BBGD C[C@H](C(=O)NNC(=O)C1CCOCC1)N(C)C 1331925292 QPPAPEIIFWITNI-MRVPVSSYSA-N 243.307 -0.490 50 20 BBGD O=C(NN=C1COCCOC1)C1CCOCC1 1333654326 MGHCSERDDVITDU-UHFFFAOYSA-N 242.275 -0.068 50 20 BBGD CCCn1cc(C(=O)NN(C)C(N)=O)nn1 1342120194 VNLDUGFXCSAAAO-UHFFFAOYSA-N 226.240 -0.657 50 20 BBGD CN(C)C(=O)NNC(=O)CCCC(=O)O 1593687049 QTAMJQCVOPIHLP-UHFFFAOYSA-N 217.225 -0.456 50 20 BBGD O=C(O)CCCC=NNC(=O)[C@@H]1COCCO1 1606142218 BADGIOBJCBWNNQ-QMMMGPOBSA-N 244.247 -0.241 50 20 BBGD C[C@@H]1C[C@@H]1CNC(=O)c1ccc(B(O)O)cc1 584930215 UJJTUDIBNUASBQ-PSASIEDQSA-N 233.076 -0.248 50 20 BBGD COCc1cccc(C=NNC(=O)C(N)=O)c1 743421128 PGZVORVBZSSEDK-UHFFFAOYSA-N 235.243 -0.232 50 20 BBGD CN1CCC[C@@H]1C(=O)NNC(=O)C1CC1 748546430 JYAJGEXFZSOAQS-MRVPVSSYSA-N 211.265 -0.362 50 20 BBGD CCNC(=O)N(C)NC(=O)[C@H]1CN(C)CCO1 770549580 SAEYQFLBLCISHU-MRVPVSSYSA-N 244.295 -0.991 50 20 BBGD CCNC(=O)NNC(=O)C[C@@H]1CCCC(=O)N1 813424267 JNTZAODEQYWBHR-ZETCQYMHSA-N 242.279 -0.605 50 20 BBGD Cc1cnc(C(=O)NN(C)[C@H](C)CO)cn1 823993499 RAUOBKURFYDQDH-MRVPVSSYSA-N 224.264 -0.258 50 20 BBGD CS(=O)(=O)CC(=O)NN=Cc1cc[nH]c1 863189456 NDJOSWLQPUSBSX-UHFFFAOYSA-N 229.261 -0.491 50 20 BBGD OB(O)c1ccccc1CNCC[C@@H](O)C1CC1 898199037 JIQSIYBIHFUINA-CYBMUJFWSA-N 249.119 -0.383 50 20 BBGD CNC(=S)N(C)NC(=O)[C@H]1[C@H]2C(=O)CC[C@H]21 909994056 UAYWISIYSRACQO-LPBLVHEISA-N 241.316 -0.321 50 20 BBGD C[C@@H](O)CN(C)NC(=O)c1ccc(O)nc1 910181621 BEUVKJAXNNLUGC-SSDOTTSWSA-N 225.248 -0.255 50 20 BBGD CNC(=O)NNC(=O)[C@@H]1CCCN1C(C)C 930584885 ABELBMMTPIMASL-QMMMGPOBSA-N 228.296 -0.181 50 20 BBGD CCC[C@H](O)C(=O)NN(C)C(=O)NCC 935290507 PPCIJYLPNUZZLE-ZETCQYMHSA-N 217.269 -0.160 50 20 BBGD COC(=O)NNC(=O)Cc1cncn1C 1117377546 CWKHMMNSQUNFAL-UHFFFAOYSA-N 212.209 -0.650 50 20 BBGD CN(NC(=O)Cn1cnc([N+](=O)[O-])n1)C1CC1 1118096326 MMZSRUIIXATYAA-UHFFFAOYSA-N 240.223 -0.688 50 20 BBGD CCCONC(=O)NNC(=O)c1cnn(C)c1 1261457516 MNWSTFWEQNXPHE-UHFFFAOYSA-N 241.251 -0.294 50 20 BBGD C[C@H](C#N)C(=O)NNC(=O)Cc1cccnc1 1318662344 SAOSVMIWIMVZTC-MRVPVSSYSA-N 232.243 -0.069 50 20 BBGD CN(NC(=O)c1c(O)cccc1O)C(N)=O 1319992048 LICGAFDPNOJZML-UHFFFAOYSA-N 225.204 -0.247 50 20 BBGD O=C(NNc1cccnn1)[C@H]1COCCO1 1320340141 VDMDGFNSPBVFEF-SSDOTTSWSA-N 224.220 -0.665 50 20 BBGD O=C(CO[C@@H]1CCOC1)NNc1ncccn1 1323512798 UXWOOARSTCFREK-MRVPVSSYSA-N 238.247 -0.275 50 20 BBGD Cc1nnc(CC(=O)NNC(=O)C2CC2)s1 1330102539 GOWKAEJFYQODOJ-UHFFFAOYSA-N 240.288 -0.054 50 20 BBGD COC(OC)C(=O)NNc1cccnn1 1335988921 BFINJENNKYPGQM-UHFFFAOYSA-N 212.209 -0.461 50 20 BBGD CCNC(=O)NNC(=O)[C@@H]1CCCCN1 1574076399 ISDXSAKRWOWQQE-ZETCQYMHSA-N 214.269 -0.521 50 20 BBGD CC[C@H](C(=O)O)C(=O)NNC(=O)OC 1594755369 IDSYFXDMWFLKAS-BYPYZUCNSA-N 204.182 -0.516 50 20 BBGD CC[C@@H](NNC(=O)c1cn[nH]c1)C(=O)O 1595306127 UOVGODFTVRAGFP-ZCFIWIBFSA-N 212.209 -0.493 50 20 BBGD C[C@H]1CC[C@@H](CNC(=O)NNC(=O)C(=O)O)C1 1604697128 AAWNUKDFFZYWGQ-NKWVEPMBSA-N 243.263 -0.162 50 20 BBGD CNCC(=O)NNc1nc(C)cc(OC)n1 159085605 GKRNLGXAWOUWRP-UHFFFAOYSA-N 225.252 -0.544 50 20 BBGD CSCCNC(=O)c1cccc(B(O)O)c1 585009386 XWPJGMFVUADGAW-UHFFFAOYSA-N 239.105 -0.541 50 20 BBGD OCCCCCNCc1ccc(B(O)O)cc1 585039321 SFHGQBCVIWNMBL-UHFFFAOYSA-N 237.108 -0.381 50 20 BBGD C[C@H](C(=O)NCB(O)O)N1CCCCCC1 585061634 XFDXXOPYRFKQAV-SECBINFHSA-N 228.101 -0.621 50 20 BBGD Cc1n[nH]cc1C(=O)NNC(=O)c1ccn(C)n1 732082229 AQRYKFQSZPOMLF-UHFFFAOYSA-N 248.246 -0.474 50 20 BBGD CC(C)(C)C(=O)NNC(=O)[C@H]1C[C@@H]1C(=O)O 736241219 IDHUMILUIXMDLU-WDSKDSINSA-N 228.248 -0.099 50 20 BBGD Cc1ccccc1OCC(=O)NNC(=O)CO 753439106 NBUJOKYXSQVHAS-UHFFFAOYSA-N 238.243 -0.486 50 20 BBGD C[C@@H]1C[C@@H]1C(=O)NNC(=O)c1ccnnc1 756766628 QIQDVIZHOMTZPS-SVRRBLITSA-N 220.232 -0.106 50 20 BBGD CCC(=O)NNC(=O)[C@H](C)N(CC)CCCO 764280843 URMVWIRJNZEQEP-VIFPVBQESA-N 245.323 -0.363 50 20 BBGD CCNC(=O)N(C)NC(=O)Nc1cnnn1C 809904365 ODRQEWCCPTXSSF-UHFFFAOYSA-N 241.255 -0.487 50 20 BBGD Cn1cnc(C(=O)NNC(=O)C2CCC2)n1 810380271 ULJPHQLKSMJBPY-UHFFFAOYSA-N 223.236 -0.624 50 20 BBGD CC(=O)NN=Cc1ccc(S(N)(=O)=O)cc1 811629315 OZHQKGYRDZBGDD-UHFFFAOYSA-N 241.272 -0.196 50 20 BBGD Cc1n[nH]cc1C(=O)NN=Cc1cn(C)nc1O 814223328 RHMHHDUKPNDNHV-UHFFFAOYSA-N 248.246 -0.079 50 20 BBGD COC[C@H](OC)C(=O)NNC(=O)NC1CC1 823768482 WJZPOCBRTJRLSS-ZETCQYMHSA-N 231.252 -0.859 50 20 BBGD CN(C)C(=O)NNC(=O)c1c(Cl)cnn1C 824627404 MQZIRMJNPOQYAI-UHFFFAOYSA-N 245.670 -0.011 50 20 BBGD C[C@H]1CC(=NNC(=O)[C@H]2CCC(=O)N2)CCO1 863147614 KDLSGTZWIYFSJN-IONNQARKSA-N 239.275 -0.064 50 20 BBGD CCNC(=O)NN=Cc1cn(CC)nn1 901176071 GCFVKTZNTNZWRZ-UHFFFAOYSA-N 210.241 -0.049 50 20 BBGD CC(C)(C)C(=O)NNC(=O)Cn1cncn1 917182661 RBXLEUQHGCMRLT-UHFFFAOYSA-N 225.252 -0.528 50 20 BBGD CCCn1nccc1C=NNC(=O)C(=O)OC 1261652463 KDYOSNPFFXEFCR-UHFFFAOYSA-N 238.247 -0.084 50 20 BBGD CCOc1cc(C(=O)NNC(=O)C2CC2)[nH]n1 1328071289 JEPGPUILPSTHDG-UHFFFAOYSA-N 238.247 -0.021 50 20 BBGD O=C1CC[C@H](CC(=O)NNc2ccncn2)CN1 1328606588 PIRZDFCRDCQHHM-MRVPVSSYSA-N 249.274 -0.164 50 20 BBGD O=C(C[C@H]1CCC(=O)N1)NNc1cccnn1 1331155997 OHLMCBBCZUOTKR-SSDOTTSWSA-N 235.247 -0.412 50 20 BBGD C[C@@H](CO)N(C)NC(=O)[C@@H]1[C@@H](N)[C@H]2C=C[C@H]1C2 1573551848 PTHOAECXHUSESV-QHZLYTNSSA-N 239.319 -0.520 50 20 BBGD Cn1nc(N)cc1C(=O)NNc1cccnn1 1579996571 JTLQOHFJNHVRNI-UHFFFAOYSA-N 233.235 -0.451 50 20 BBGD CC(=O)NNC(=O)C[C@H](C)CC(=O)O 1603052100 DAEHCMXPNMRKIG-YFKPBYRVSA-N 202.210 -0.345 50 20 BBGD Cc1nnc(NNC(=O)C(C)(C)C(=O)O)n1C 1605444244 BESKVMFCHYXDPG-UHFFFAOYSA-N 241.251 -0.323 50 20 BBGD C[C@H](CC#N)N(C)C(=O)c1ccc(B(O)O)cc1 584944245 ZOXMQGOJJJDPQG-SECBINFHSA-N 246.075 -0.259 50 20 BBGD OB(O)c1ccc(CNC2CCSCC2)o1 585022769 YUDRESDVEPJDGZ-UHFFFAOYSA-N 241.121 -0.055 50 20 BBGD COC[C@H](C)CC(=O)N1CC[C@H](B(O)O)C1 585067984 XNIIWCFFTRRRFJ-BDAKNGLRSA-N 229.085 -0.266 50 20 BBGD CN1C(=O)CC[C@H]1C(=O)NNC(=O)C1CCC1 752250502 AHMOBCGUJHNIIJ-QMMMGPOBSA-N 239.275 -0.445 50 20 BBGD CC[C@@H]1C[C@H](CC(=O)NNC(=O)CO)CCO1 753443797 AUSISUJXBYPBEZ-RKDXNWHRSA-N 244.291 -0.279 50 20 BBGD CCc1cc(C(=O)NN(C)C(N)=O)n[nH]1 778417443 SZEJBSIFLOYXPJ-UHFFFAOYSA-N 211.225 -0.373 50 20 BBGD N#CCC(=O)NNC(=O)N=c1cc[nH]cc1 802035841 JOYWTFPPZATIRQ-UHFFFAOYSA-N 219.204 -0.430 50 20 BBGD CC(C)(O)C(=O)NNC(=O)[C@@](C)(O)C1CCC1 813530778 YPXQWJDQBMPXKQ-NSHDSACASA-N 244.291 -0.544 50 20 BBGD COCCN(C)NC(=O)CC1OCCCO1 816560822 BHUKTUNVIULCEX-UHFFFAOYSA-N 232.280 -0.251 50 20 BBGD C[C@@H](CO)N(C)NC(=O)c1ccn(C)n1 823959518 KFQQMDABNWJAQC-ZETCQYMHSA-N 212.253 -0.623 50 20 BBGD CCO[C@H](C)C(=O)NN(C)[C@H](C)CO 823971127 PFURGILRONBQBU-HTQZYQBOSA-N 204.270 -0.245 50 20 BBGD COCCCC(=O)NNC(=O)[C@H]1CCO[C@H]1C 843645588 MZSDNCOFQUFLBJ-IUCAKERBSA-N 244.291 -0.015 50 20 BBGD CCNC(=O)NNC(=O)COc1cc(C)on1 920858273 YABFAYXFEQJNIT-UHFFFAOYSA-N 242.235 -0.288 50 20 BBGD O=C(NNc1ncccn1)c1cnc[nH]1 1318666368 WBZYQAZESWHNHZ-UHFFFAOYSA-N 204.193 -0.043 50 20 BBGD O=C(CO)NN=Cc1cnc2cnccn12 1320669764 KTDOYWMIJNEBLC-UHFFFAOYSA-N 219.204 -0.828 50 20 BBGD CO[C@H](C(=O)O)C(=O)NN[C@H](C)C(F)(F)F 1604433989 IVFSUIVQKMYHEC-DMTCNVIQSA-N 244.169 -0.342 50 20 BBGD C[C@@H]1CC[C@@H](CNC(=O)NNC(=O)C(=O)O)C1 1604697130 AAWNUKDFFZYWGQ-RNFRBKRXSA-N 243.263 -0.162 50 20 BBGD O=C(C[C@H]1CCCO1)Nc1cccc(B(O)O)c1 405036720 SRSPTMCGVYOGJL-LLVKDONJSA-N 249.075 -0.126 50 20 BBGD OB(O)[C@H]1CCN(c2ncc(F)cn2)C1 585074597 ZYYAAXVLWNZHBN-LURJTMIESA-N 211.005 -0.331 50 20 BBGD COc1ccc2c(c1)C(=NNC(=O)C(N)=O)CC2 747625910 OAHJKNMFMZWPQU-UHFFFAOYSA-N 247.254 -0.053 50 20 BBGD O=C(CO)NNC(=O)c1cc2occc2[nH]1 753442772 PGYSBXFHSVCDIF-UHFFFAOYSA-N 223.188 -0.486 50 20 BBGD C[C@@H](CC(=O)NNC(=O)CO)c1ccncc1 753445608 PXUOYPPJACFJPG-QMMMGPOBSA-N 237.259 -0.285 50 20 BBGD CC(C)(C(N)=O)C(=O)NN=c1cc[nH]cc1 768186558 ZUWQKYKBIXHDJC-UHFFFAOYSA-N 222.248 -0.542 50 20 BBGD CN(NC(=O)CCCCc1cnn[nH]1)C(N)=O 768717533 ZNIGETISADYWLS-UHFFFAOYSA-N 240.267 -0.441 50 20 BBGD C[C@H](O)C(=O)NNc1ncncc1Cl 781834259 SFZYIDQWLSHPQM-BYPYZUCNSA-N 216.628 -0.046 50 20 BBGD Cn1cnc(C=NNC(=O)c2cnccn2)c1 794489071 QDMDCMJCFXTQEI-UHFFFAOYSA-N 230.231 -0.026 50 20 BBGD COCCN(C)NC(=O)[C@@H]1CCC(=O)N1C 816562191 CAXSSHWJQBEVOC-QMMMGPOBSA-N 229.280 -0.783 50 20 BBGD CCN(CCO)NC(=O)/C=C\c1cn(C)cn1 823377093 OBCCSIUJDACWRU-PLNGDYQASA-N 238.291 -0.221 50 20 BBGD C[C@@H](CNC(=O)NNc1cccnn1)C(=O)O 848585195 HSYSHVKNSPSNLO-LURJTMIESA-N 239.235 -0.177 50 20 BBGD C[C@@H](O)CN(C)NC(=O)c1cc(C=O)cn1C 910148386 BRHYARAKHFOWAN-MRVPVSSYSA-N 239.275 -0.205 50 20 BBGD C[C@@H](O)CN(C)NC(=O)[C@H]1CCCOC1 910165783 NCFILONPYSBORT-BDAKNGLRSA-N 216.281 -0.243 50 20 BBGD CN(C)C(=O)NNC(=O)/C=C\c1cn(C)cn1 931118740 IOSHDAGZUZKIAZ-PLNGDYQASA-N 237.263 -0.264 50 20 BBGD CC(C)NC(=O)NNC(=O)[C@@]1(F)CCOC1 1261216714 KUKBVTPUJASHKA-SECBINFHSA-N 233.243 -0.146 50 20 BBGD CNC(=O)NN=Cc1c(C)nn(CCO)c1C 1317992547 BGRQOSDHVPQPRW-UHFFFAOYSA-N 239.279 -0.245 50 20 BBGD CNC(=O)NNC(=O)[C@H]1CCC[C@H](C(N)=O)C1 1324408095 GGASXECCUDIYNK-BQBZGAKWSA-N 242.279 -0.762 50 20 BBGD CC(C)NC(=O)NNC(=O)c1ncccn1 1325605163 IEAMTISLJSUWNN-UHFFFAOYSA-N 223.236 -0.171 50 20 BBGD O=C(NNc1ccncn1)[C@@H]1COCCO1 1334802349 FWTHQYYITCFZTA-ZETCQYMHSA-N 224.220 -0.665 50 20 BBGD C#CCCCC(=O)NNC(=O)Cc1n[nH]c(C)n1 1335330312 DTFGKPIFXZCTRE-UHFFFAOYSA-N 249.274 -0.393 50 20 BBGD COC1(C(=O)NN(C)C(N)=O)CCOCC1 1340336493 QYILBVALZGWFSG-UHFFFAOYSA-N 231.252 -0.776 50 20 BBGD Cc1cc(=NNC(=O)[C@H](C)CN)cc[nH]1 1574086538 PQKYAAOAONUJMI-SSDOTTSWSA-N 208.265 -0.150 50 20 BBGD O=C(NNC(=O)C(=O)O)NC(C1CC1)C1CC1 1601552850 KKUBZJWBQWKSEY-UHFFFAOYSA-N 241.247 -0.410 50 20 BBGD CNC(=O)NNC(=O)Cn1cc(C)cn1 49119624 GFAYASYUIIJFBT-UHFFFAOYSA-N 211.225 -0.848 50 20 BBGD O=C(Cc1ccoc1)NNC(=O)Cc1cc[nH]n1 185516867 VAOGHTOEBUXXMC-UHFFFAOYSA-N 248.242 -0.065 50 20 BBGD O=C(NC1CCC1)c1ccc(B(O)O)c(F)c1 584943324 HPANZPRBTRXEAM-UHFFFAOYSA-N 237.039 -0.212 50 20 BBGD OC[C@@H](CC1CC1)NCc1cccc(B(O)O)c1 585029626 HZANZHXRLGDWLX-CYBMUJFWSA-N 249.119 -0.383 50 20 BBGD CC(C)n1nccc1C(=O)NNC(=O)CO 753444962 SJOSBCKOHDLHJV-UHFFFAOYSA-N 226.236 -0.783 50 20 BBGD CN(C)CC(=O)NNC(=O)[C@@]1(C)CCOC1 758046791 SDSCMANCXOQVQB-JTQLQIEISA-N 229.280 -0.878 50 20 BBGD CN(NC(=O)CCn1ccccc1=O)C(N)=O 770437963 GAUCWFREYZIONZ-UHFFFAOYSA-N 238.247 -0.720 50 20 BBGD C[C@H](CO)N(C)NC(=O)c1cc2n(n1)CCC2 823918302 UPIPKDTURDKQBM-MRVPVSSYSA-N 238.291 -0.213 50 20 BBGD Cc1nccc(C(=O)NN(C)[C@@H](C)CO)n1 823971448 UIKSQGYCTGAGCM-ZETCQYMHSA-N 224.264 -0.258 50 20 BBGD Cc1cc(=O)n(C)cc1NC(=O)NNC(=O)O 832858061 IJEKWFJLPUYVOE-UHFFFAOYSA-N 240.219 -0.002 50 20 BBGD O=C(NNC(=O)[C@@H]1CNCCO1)c1ccccc1 844204465 OOMQANNISGNVEW-JTQLQIEISA-N 249.270 -0.564 50 20 BBGD COC/C=C/C(=O)NNC(=O)N(C)C 865047506 OZUBGZFZWRPPIL-SNAWJCMRSA-N 201.226 -0.509 50 20 BBGD CC(=O)NNC(=O)c1ncccc1N(C)C 899925758 BGTYVYKLMOCXQB-UHFFFAOYSA-N 222.248 -0.072 50 20 BBGD C#CCSCC(=O)NN(C)C(=S)NC 909993579 OKLHCZSEXQESES-UHFFFAOYSA-N 231.346 -0.180 50 20 BBGD C[C@H](O)CN(C)NC(=O)c1ccc(O)nc1 910181623 BEUVKJAXNNLUGC-ZETCQYMHSA-N 225.248 -0.255 50 20 BBGD O=C(CCO)NNC(=O)Nc1ccon1 1254980180 ITFKMVUGERZEMC-UHFFFAOYSA-N 214.181 -0.790 50 20 BBGD O=C(CCO)NN=Cc1cnc2n1CCC2 1261652103 AIRXNQJZMDYLIU-UHFFFAOYSA-N 222.248 -0.338 50 20 BBGD Cc1nc2ccccn2c1C=NNC(=O)C(N)=O 1317718387 WSZUMAWMLBGJTE-UHFFFAOYSA-N 245.242 -0.422 50 20 BBGD O=C(CCO)NNC(=O)OCC(F)(F)F 1338052252 MTRHTWRIDNZOOK-UHFFFAOYSA-N 230.142 -0.312 50 20 BBGD O=C(NNc1ncncc1F)c1cnn[nH]1 1347806389 WBTMHNXUWWDLOP-UHFFFAOYSA-N 223.171 -0.509 50 20 BBGD Cc1noc(C)c1C(=O)N1CC[C@@H](B(O)O)C1 1348489831 DWCLUOAEWXDOKE-MRVPVSSYSA-N 238.052 -0.020 50 20 BBGD C[C@@H]1[C@@H](C(=O)NNC(=O)C(C)(C)O)C1(F)F 1528165573 BGYIYBUZIQJZBI-UHNVWZDZSA-N 236.218 -0.194 50 20 BBGD NCC(=O)NNC(=O)c1cccc(Cl)c1N 1580213688 NAWXOKBSONGGPV-UHFFFAOYSA-N 242.666 -0.358 50 20 BBGD CCCOCC(=O)NNC(=O)c1c[nH]nc1C 110760640 XUZQTVWVOINYQG-UHFFFAOYSA-N 240.263 -0.094 50 20 BBGD O=C1CCCC[C@@H](C(=O)NNc2cnccn2)N1 194511896 LIGUENQNIYPGJG-QMMMGPOBSA-N 249.274 -0.022 50 20 BBGD Cn1c(=O)c2c(ncn2C/C=C/C#N)n(C)c1=O 268656650 WACRGVWTLXBFKS-ONEGZZNKSA-N 245.242 -0.487 50 20 BBGD COC(=O)NNC(=O)[C@H]1CC[C@H]1C(=O)OC 289059943 LXHAXIJVXCHDFI-NTSWFWBYSA-N 230.220 -0.427 50 20 BBGD C[C@@H]1C[C@@H](NCc2cccc(B(O)O)c2)CO1 585047806 GZOJDGISLQVDLI-BXKDBHETSA-N 235.092 -0.367 50 20 BBGD O=S(=O)(NCB(O)O)c1ccccc1Cl 585054991 WGCSZTPWENBLSS-UHFFFAOYSA-N 249.484 -0.370 50 20 BBGD O=C(NNc1cnccn1)[C@H]1CCOC1 734244296 DLLKREMTUWXXCJ-ZETCQYMHSA-N 208.221 -0.044 50 20 BBGD COCCCNC(=O)NNC(=O)[C@H](C)N(C)C 750610233 OTLDXYOMSAAWBI-QMMMGPOBSA-N 246.311 -0.697 50 20 BBGD CCOCC(=O)NN=Cc1cncn1C 755705769 YKMGSSYXVWOWTF-UHFFFAOYSA-N 210.237 -0.093 50 20 BBGD C#CCNC(=S)NNC(=O)c1cccn1C 758183500 HLUXKJBCTZFFIL-UHFFFAOYSA-N 236.300 -0.233 50 20 BBGD CC(C)NC(=O)NNC(=O)[C@](C)(O)C1CC1 804315825 NHNGYLSIFJZNGW-SNVBAGLBSA-N 229.280 -0.114 50 20 BBGD CNC(=O)NN=Cc1cnc(N(C)C)nc1 814814745 YJPZAWKSEJLBPK-UHFFFAOYSA-N 222.252 -0.195 50 20 BBGD C[C@@H](CO)N(C)NC(=O)[C@@](C)(O)C1CCC1 823922382 KIIKAGGVLGBYHQ-KWQFWETISA-N 230.308 -0.119 50 20 BBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@H](C)C#N 843974710 CRLCKTSBLMTERD-CSMHCCOUSA-N 225.248 -0.282 50 20 BBGD COC(=O)CCCC(=O)NNC(=O)N(C)C 874248732 GYKNJICDLRUCNG-UHFFFAOYSA-N 231.252 -0.368 50 20 BBGD CC(=O)NNS(=O)(=O)c1cncc(F)c1 1116647647 IEGLUFAGVDDAJU-UHFFFAOYSA-N 233.224 -0.450 50 20 BBGD COCc1cc(C(=O)NNC(=O)OC)no1 1320386519 OZDSNYMYUBTOPV-UHFFFAOYSA-N 229.192 -0.178 50 20 BBGD CNC(=S)N(C)NC(=O)c1cncn1C 1328418623 YZRBSHJEXIHONT-UHFFFAOYSA-N 227.293 -0.499 50 20 BBGD CCOC1(C(=O)NN(C)C(N)=O)CCOCC1 1331154375 PMQLDPQUHFQJOW-UHFFFAOYSA-N 245.279 -0.386 50 20 BBGD COC(=O)C(=O)NNC(=O)N[C@@H]1CC12CCC2 1332947009 RBFIKMXBXIUWJE-ZCFIWIBFSA-N 241.247 -0.568 50 20 BBGD CCCC[C@H](N)C(=O)NNC(=O)N(C)C 1577410434 GCYGHZYQLJJEAR-ZETCQYMHSA-N 216.285 -0.194 50 20 BBGD CCCCNC(=O)NNC(=O)C1(C(=O)O)CC1 1589650050 CYNIRYRKRMDZCQ-UHFFFAOYSA-N 243.263 -0.018 50 20 BBGD CC(CCC(=O)O)=NNC(=O)[C@H]1COCCO1 1609737575 BUXWUKZSFDHTCK-MRVPVSSYSA-N 244.247 -0.241 50 20 BBGD Cc1ccc(F)cc1C(=O)NNC(=O)CO 180956403 IRNAKSRGFPFPMG-UHFFFAOYSA-N 226.207 -0.113 50 20 BBGD CSCCCCC(=O)NNC(=O)CO 182756291 FMHLFOLSZBEJQU-UHFFFAOYSA-N 220.294 -0.341 50 20 BBGD C#CCCCC(=O)NNC(=O)c1cnn(C)c1 192128045 PXGYRHPNXPWPRC-UHFFFAOYSA-N 234.259 -0.015 50 20 BBGD C=C[C@@](C)(O)CC(=O)NNC(=O)C1CC1 278734227 UNFQSCLRISLOEC-SNVBAGLBSA-N 212.249 -0.129 50 20 BBGD COC(=O)N(C)NC(=O)CSCC#N 495629650 UPKPICYLHBOPCK-UHFFFAOYSA-N 217.250 -0.027 50 20 BBGD C[C@H](CCCO)NCc1ccc(B(O)O)cc1 585028080 DDPMAUZJRMGTIN-SNVBAGLBSA-N 237.108 -0.383 50 20 BBGD OB(O)c1ccccc1CN[C@@H]1C[C@H]2CC[C@@H]1O2 585046832 ZUESDOMGSKUMRS-RTXFEEFZSA-N 247.103 -0.224 50 20 BBGD COc1csc(C(=O)NCB(O)O)c1 585059759 AZXDYSMJTOSPIW-UHFFFAOYSA-N 215.039 -0.502 50 20 BBGD C[C@H](Oc1ccc(C#N)cc1)C(=O)NCB(O)O 585063229 WRSLOJSOTJMRQF-QMMMGPOBSA-N 248.047 -0.546 50 20 BBGD O=C(NNc1cnccn1)[C@]1(O)CCSC1 775280588 JDDJGRQQGPBYHF-VIFPVBQESA-N 240.288 -0.212 50 20 BBGD CCC(=NNC(=O)CO)[C@H]1CCOC1 776780512 TUFFALAMGPOFPY-ZETCQYMHSA-N 200.238 -0.103 50 20 BBGD COC(=O)c1cc(C=NNC(=O)CO)cn1C 790169751 AFPGHBGJMUBRGG-UHFFFAOYSA-N 239.231 -0.746 50 20 BBGD N#CC(C#N)=CNCC(=O)NCC(F)F 794844979 DWIVAMKKJJCBCD-UHFFFAOYSA-N 214.175 -0.112 50 20 BBGD CCN(CCO)NC(=O)[C@H](C)n1cncn1 823842768 XPBPHMZYWXRDNZ-QMMMGPOBSA-N 227.268 -0.816 50 20 BBGD Cc1cnn(CC(=O)NN(C)[C@H](C)CO)c1 823965704 SSMZEYCOUOISOQ-SECBINFHSA-N 226.280 -0.465 50 20 BBGD CCC[C@@H](OC)C(=O)NNC(=O)CN(C)C 825709555 XCIJZMNPCYSTJB-MRVPVSSYSA-N 231.296 -0.490 50 20 BBGD CCCC(C)(C)C(=O)NNC(=O)CO 846636464 KLSGREGJTCZKQM-UHFFFAOYSA-N 202.254 -0.048 50 20 BBGD COCCN(C)NC(=O)c1cnn(C)n1 848378070 HQDOUWNPMIEMFC-UHFFFAOYSA-N 213.241 -0.962 50 20 BBGD CC(C)[C@@H](NS(=O)(=O)C1CC1)C(=O)NN 852874867 VGCFWAAIGKKDDF-SSDOTTSWSA-N 235.309 -0.917 50 20 BBGD O=C(NNC(=O)C1CC1)c1nc2ncccn2n1 854180851 QTZVXBATYRYDDK-UHFFFAOYSA-N 246.230 -0.705 50 20 BBGD O=C(NNc1ccccn1)[C@]1(O)CCOC1 857482797 ZGLSCNXBIFEWKZ-JTQLQIEISA-N 223.232 -0.324 50 20 BBGD CC(C)(C)OCC(=O)NNC(=O)c1cn[nH]c1 862471087 QQDJFEBTRJHWQY-UHFFFAOYSA-N 240.263 -0.014 50 20 BBGD COC/C=C/C(=O)NNC(=O)[C@@H]1CCCCO1 868619152 INXLSRSCHAHLRI-DNQSNQRASA-N 242.275 -0.095 50 20 BBGD CN1CC[C@@H](NCc2cccc(B(O)O)c2)C1 877019711 PMZYZUQKRZTMNI-GFCCVEGCSA-N 234.108 -0.840 50 20 BBGD O=C(NNC(=O)[C@H]1CC1(F)F)c1cccnn1 882059244 LPLVLHVEZSKLBR-RXMQYKEDSA-N 242.185 -0.107 50 20 BBGD Cn1cc(/C=C(\C#N)C(=O)N2CC[C@@H]2CO)cn1 889154808 QSFIDQUVCWNQAO-LLMHMKPQSA-N 246.270 -0.080 50 20 BBGD C=C[C@@H](O)C(=O)NNC(=S)NC(C)(C)C 899997534 XAIXYHIMTHQGID-ZCFIWIBFSA-N 231.321 -0.173 50 20 BBGD CC(=O)NNC(=O)CCc1cn(C)nc1C 1117778251 PMBLTCBLRFLXDA-UHFFFAOYSA-N 224.264 -0.172 50 20 BBGD CC[C@H](F)C(=O)NNC(=O)c1cc[nH]n1 1120753088 FPMMXCVOBIMDET-YFKPBYRVSA-N 214.200 -0.081 50 20 BBGD COC(=O)NCCC(=O)NNC(=O)N(C)C 1318388590 VWGGVZFFYXZCBX-UHFFFAOYSA-N 232.240 -0.965 50 20 BBGD C#CCCCC(=O)NNC(=O)c1ccc(O)nn1 1342517952 DALMPDCQWJRNMT-UHFFFAOYSA-N 248.242 -0.253 50 20 BBGD COCC#CC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 1351035666 UOEDAAGSBLIZHU-RKDXNWHRSA-N 240.259 -0.791 50 20 BBGD NNC(=O)[C@H]1CCCN(C(=O)N2CCCC2)C1 192505161 ARCIVTQIAFLORK-VIFPVBQESA-N 240.307 -0.096 50 20 BBGD C[C@H](C(=O)NNC(=O)N(C)C)n1cccn1 299325459 ARUJWXIJQKRQPY-SSDOTTSWSA-N 225.252 -0.254 50 20 BBGD CNC(=O)NNC(=O)CNC(C)(C)C 379585144 PGGSENGIIGZVIK-UHFFFAOYSA-N 202.258 -0.665 50 20 BBGD C=CCO[C@@H](C)C(=O)Nc1cccc(B(O)O)c1 584911862 ZQRNIYBQOFKJFA-VIFPVBQESA-N 249.075 -0.104 50 20 BBGD CNC(=S)NNC(=O)[C@@H]1CCCCO1 772220718 ZCIZTXMQHQIJET-LURJTMIESA-N 217.294 -0.319 50 20 BBGD CC(=NNC(=O)CN(C)C)c1ncc[nH]1 790161478 GFTOCADZBBECID-UHFFFAOYSA-N 209.253 -0.189 50 20 BBGD C[C@H](NC(N)=O)C(=O)NNc1cccc(F)n1 804769772 NKKAQFYOVKMUNC-YFKPBYRVSA-N 241.226 -0.279 50 20 BBGD CN(C)CC(=O)NN=C1COCCOC1 814832859 XFSLPSAHBGCQPG-UHFFFAOYSA-N 215.253 -0.933 50 20 BBGD COCCN(C)NC(=O)c1n[nH]cc1[N+](=O)[O-] 816560802 ATDJRTZONILPMQ-UHFFFAOYSA-N 243.223 -0.459 50 20 BBGD C[C@H](CO)N(C)NC(=O)c1cnn2cccnc12 823976247 BKJCTBGGYXSWJF-MRVPVSSYSA-N 249.274 -0.313 50 20 BBGD CCNC(=O)N(C)NC(=O)[C@@H]1CC(C)=NO1 831853862 IDFSPCLFBVJKOV-ZETCQYMHSA-N 228.252 -0.156 50 20 BBGD CC1(C(=O)NNC(=O)[C@@H]2CCCCO2)COC1 833242709 MVQYXAKKHKGGOL-QMMMGPOBSA-N 242.275 -0.261 50 20 BBGD C[C@H]1OCC[C@@H]1C(=O)NN=Cc1cnn(C)n1 842560082 KSJYMMBUAAWCQB-APPZFPTMSA-N 237.263 -0.310 50 20 BBGD C[C@@H]1[C@H](C(=O)NN(C)C(N)=O)CCN1C 843844787 NYNSFWMXJVIBFN-RNFRBKRXSA-N 214.269 -0.632 50 20 BBGD CCCNC(=S)NNC(=O)c1cn[nH]c1 863205549 ZMMDIYJIYXVSGS-UHFFFAOYSA-N 227.293 -0.071 50 20 BBGD Cc1n[nH]cc1C(=O)NN(C)C[C@H](C)O 910170910 PANJDOAKFMFUPV-LURJTMIESA-N 212.253 -0.324 50 20 BBGD C[C@H]1COC[C@@H]1NC(=O)c1ccc(B(O)O)cc1 928883157 HQKOFAQWJJOWSC-KWQFWETISA-N 249.075 -0.869 50 20 BBGD CC(=O)NCC(=O)NNc1ncc(F)cn1 1116402683 LQNCDLXAQSIROE-UHFFFAOYSA-N 227.199 -0.805 50 20 BBGD Cn1nc2ccccc2c1C(=O)NNC(=O)CO 1116661278 QYOOSORKCAYFTI-UHFFFAOYSA-N 248.242 -0.673 50 20 BBGD COC(=O)NNC(=O)c1cn(C)nc1OC 1120015341 UYTFNYLSHJKWDR-UHFFFAOYSA-N 228.208 -0.571 50 20 BBGD CNC(=O)NNC(=O)c1ccc(C#N)[nH]1 1320070714 BVONAFVRRCPMSH-UHFFFAOYSA-N 207.193 -0.540 50 20 BBGD Cn1cncc1CCC(=O)NNc1nc[nH]n1 1325022898 JHCAWOQEKWWTIN-UHFFFAOYSA-N 235.251 -0.386 50 20 BBGD CC(=O)NNC(=O)c1c(C)nn(C)c1C 1338019818 GOJFOUMBGXIKPD-UHFFFAOYSA-N 210.237 -0.182 50 20 BBGD Cn1cnc(C(=O)NNC(=O)OC(C)(C)C)n1 1343483748 PWVVQFBYLGFIAO-UHFFFAOYSA-N 241.251 -0.015 50 20 BBGD O=C(O)C(=O)NN=Cc1cccc(O)c1 1601636223 WSZATOOQASBXFR-UHFFFAOYSA-N 208.173 -0.073 50 20 BBGD CNC(=O)NNC(=O)c1csc(COC)n1 49159493 LGPOKSUWERTIHI-UHFFFAOYSA-N 244.276 -0.137 50 20 BBGD CCO[C@H]1C[C@H]1NCc1ccc(B(O)O)cc1 585039885 ZKEPJHMXVUTTOO-NEPJUHHUSA-N 235.092 -0.367 50 20 BBGD Cc1ccc(S(=O)(=O)NCB(O)O)s1 585054681 PTMHSQAOIXSUQA-UHFFFAOYSA-N 235.095 -0.653 50 20 BBGD O=C(NCB(O)O)c1ccc(-n2ccnc2)cc1 585061436 SFPRDMWJKWNXLE-UHFFFAOYSA-N 245.047 -0.386 50 20 BBGD CC[C@H](C)OCC(=O)N1CC[C@@H](B(O)O)C1 585065089 UQVUQHUVPJOPTR-DTWKUNHWSA-N 229.085 -0.123 50 20 BBGD CC(F)(F)CCC(=O)NNC(=O)CO 753439379 YQGHFHJCKHMVSX-UHFFFAOYSA-N 210.180 -0.439 50 20 BBGD O=C1CC[C@@H](C(=O)NNc2ccccn2)N1 777470453 UDOXVXUWEWXOIF-ZETCQYMHSA-N 220.232 -0.197 50 20 BBGD C[C@@H](C(=O)NNc1ccncn1)N(C)C 823279706 RSKAZISOOHWIFG-ZETCQYMHSA-N 209.253 -0.130 50 20 BBGD C=C[C@@](C)(O)C(=O)NNC(=O)NC1CC1 823767585 HYROMDJOCLXXGF-SECBINFHSA-N 213.237 -0.584 50 20 BBGD Cc1nnc(C(=O)NN(C)[C@H](C)CO)s1 823917227 FSNQFUCSCPWTEZ-RXMQYKEDSA-N 230.293 -0.196 50 20 BBGD COCCN(C)NC(=O)Cc1cncn1C 848378211 LUILTADUZJNRAQ-UHFFFAOYSA-N 226.280 -0.428 50 20 BBGD Cc1cc(=NNC(=O)[C@@H]2COCCO2)cc[nH]1 862510363 DSKSRQLCLCJNJS-JTQLQIEISA-N 237.259 -0.330 50 20 BBGD CS(=O)(=O)CC(=O)NNC(=O)C=C1CCC1 863462054 DRBDWVSLVOFRCD-UHFFFAOYSA-N 246.288 -0.711 50 20 BBGD OB(O)c1ccc(CNC[C@H]2C[C@@H](O)C2)cc1 863892388 VNJFWMWXNDRGLA-KLPPZKSPSA-N 235.092 -0.773 50 20 BBGD O=C(CN1CCCC1)NNC(=O)c1cccnn1 921314959 NOVNMCWEBCEGGK-UHFFFAOYSA-N 249.274 -0.667 50 20 BBGD CC(=O)N1CCC[C@H](C(=O)NN(C)C(N)=O)C1 1254448136 MGFKUCAKSHFQLV-QMMMGPOBSA-N 242.279 -0.713 50 20 BBGD COC(=O)N[C@@H](C)C(=O)NNc1ccn(C)n1 1256184790 QSWPMIUNYVBXPT-LURJTMIESA-N 241.251 -0.392 50 20 BBGD CN(NC(=O)c1ccnc2c1nnn2C)C(N)=O 1321242767 DKRNPMQTRHFHPZ-UHFFFAOYSA-N 249.234 -0.981 50 20 BBGD CCNC(=O)NNC(=O)c1ncccn1 1327411227 OWDTZAVXXDUEEN-UHFFFAOYSA-N 209.209 -0.560 50 20 BBGD O=C1CC[C@H](C(=O)NNC(=O)C2CC=CC2)N1 1330107976 LDMBVRJAUQGSLD-MRVPVSSYSA-N 237.259 -0.621 50 20 BBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)CC1COC1 1335028201 AWAVDCRKSAYTMD-VXNVDRBHSA-N 242.275 -0.405 50 20 BBGD O=C1CC(C(=O)NNC(=O)C2CCOCC2)C1 1339766982 VCPQVVFGCCLJBM-UHFFFAOYSA-N 240.259 -0.461 50 20 BBGD C=C(C)C[C@@H](N)C(=O)NN(C)C(N)=O 1574067031 GBRCIGDRKGLSQU-ZCFIWIBFSA-N 200.242 -0.678 50 20 BBGD CC[C@@](C)(O)C(=O)NNC(=O)CCCCCN 1576960452 MFGIDCQGDPBKJK-LLVKDONJSA-N 245.323 -0.186 50 20 BBGD CC[C@H](C(=O)O)C(=O)NNc1nc[nH]n1 1604878234 LJPMMGWEADCRMI-BYPYZUCNSA-N 213.197 -0.641 50 20 BBGD CCOC(=O)NNC(=O)CCOCCOC 63265963 QZXKPSLYQIDCAA-UHFFFAOYSA-N 234.252 -0.183 50 20 BBGD CCCCOCC(=O)NN(C)C(N)=O 181067845 PONORDYTDNJCRG-UHFFFAOYSA-N 203.242 -0.155 50 20 BBGD CCCC(O)(CCC)CC(=O)NNC(=O)CO 182769568 KPQLBFQXCBLVGD-UHFFFAOYSA-N 246.307 -0.153 50 20 BBGD COC(=O)N(C)NS(=O)(=O)C[C@H](C)OC 496529683 UPAMLIWXQGXOLS-LURJTMIESA-N 240.281 -0.446 50 20 BBGD OB(O)c1cccc(CNC[C@@H]2CCCO2)c1 585014141 JEBUUTBRDQODQX-LBPRGKRZSA-N 235.092 -0.365 50 20 BBGD CCOCc1nc(-c2cccc(B(O)O)c2)no1 585052073 RHIJJQCMKABSHF-UHFFFAOYSA-N 248.047 -0.047 50 20 BBGD C/C=C(\C)C(=O)NNC(=O)C(=O)NC(C)C 751308579 IFYLKUCACZYZNN-FNORWQNLSA-N 227.264 -0.375 50 20 BBGD CC(=NNC(=O)CO)C1CCOCC1 776781471 FGDPWJMBVUIOTH-UHFFFAOYSA-N 200.238 -0.103 50 20 BBGD C=CCCOCC(=O)NN(C)[C@H](C)CO 823966006 XPDYTLPVTPESCZ-SECBINFHSA-N 216.281 -0.077 50 20 BBGD N[C@H]1CCN(S(=O)(=O)CBr)C1 850582550 RMAPIWADAAOHLH-YFKPBYRVSA-N 243.126 -0.298 50 20 BBGD Cn1ccc(C=NNC(=O)[C@H]2CCC(=O)N2)c1 863148653 HBFDKIQGPDFQKN-SECBINFHSA-N 234.259 -0.246 50 20 BBGD CC(C)C(=O)COc1ccc(B(O)O)cc1 863865490 FCGQBJFPFABTIA-UHFFFAOYSA-N 222.049 -0.030 50 20 BBGD CC[C@H](NC(C)=O)C(=O)NNC(=O)NC1CC1 865015160 WABJLZIGMVIDKI-QMMMGPOBSA-N 242.279 -0.606 50 20 BBGD CCCNC(=O)NNC(=O)[C@@H](CC)NC(C)=O 865023921 SDJSWVZBLVEVBQ-MRVPVSSYSA-N 244.295 -0.359 50 20 BBGD C[C@H](O)CN(C)NC(=O)c1cncn1C 910151404 BMPDZACQUQPBQM-ZETCQYMHSA-N 212.253 -0.623 50 20 BBGD Cc1nnsc1C(=O)NN(C)C[C@@H](C)O 910178031 RJVZZMDXNZNOPJ-RXMQYKEDSA-N 230.293 -0.196 50 20 BBGD O=C([C@H]1CCOC1)N1CC[C@@H](B(O)O)C1 1261844122 CGBKPWIZCVOOHW-JGVFFNPUSA-N 213.042 -0.902 50 20 BBGD CC(=O)NCC(=O)NNc1cc(C)ncn1 1318529982 URRXXWJBTPGUFK-UHFFFAOYSA-N 223.236 -0.636 50 20 BBGD C[C@@H]1COCCC1=NNC(=O)CCO 1339659775 RVMNEDXPVWPZJH-SSDOTTSWSA-N 200.238 -0.103 50 20 BBGD CCCC[C@@H](N)C(=O)NNC(=O)N(C)C 1577410433 GCYGHZYQLJJEAR-SSDOTTSWSA-N 216.285 -0.194 50 20 BBGD CCO/C=C(\C#N)C(=O)N1CC[C@H](N)C1 1578099355 BTHQCMBEFLPYCI-FLOXNTQESA-N 209.249 -0.010 50 20 BBGD CN(NC(=O)C[C@H](O)CN)c1ccccn1 1578506012 CYOGOOAZKUISBO-QMMMGPOBSA-N 224.264 -0.741 50 20 BBGD O=C(O)CNC(=O)NN=CC1CCOCC1 1602072148 SBHLXBCQMZMHEJ-UHFFFAOYSA-N 229.236 -0.217 50 20 BBGD CC(=O)CCCC(=O)NNC(=O)C(C)(C)O 277879127 DOKMHMFUVXCFDV-UHFFFAOYSA-N 230.264 -0.336 50 20 BBGD CC(C)(C)[C@H](O)CNCc1ccc(B(O)O)o1 585024290 SXMCPKSKJIHHBJ-SECBINFHSA-N 241.096 -0.544 50 20 BBGD Cc1cc(C)nc(NNC(=O)C2(C(N)=O)CC2)n1 731603273 NIJRPUVFMVYTPM-UHFFFAOYSA-N 249.274 -0.198 50 20 BBGD Cc1nn(C)cc1C(=O)NNC(=O)CN(C)C 733359195 GLIUJYNUKNOOQY-UHFFFAOYSA-N 239.279 -0.949 50 20 BBGD CCNC(=O)NNC(=O)C1(C(=O)OCC)CC1 746167669 VURGZTQUVICVRT-UHFFFAOYSA-N 243.263 -0.320 50 20 BBGD COCC1(C(=O)NNC(=O)C(C)(C)O)CC1 768243787 GKPHWCCESOMSRN-UHFFFAOYSA-N 230.264 -0.669 50 20 BBGD CC(=O)NNC(=O)c1cnc(C)nc1C 777520406 BLZYGTXBPMFBSB-UHFFFAOYSA-N 208.221 -0.126 50 20 BBGD CCn1cc(C(=O)NN(C)[C@@H](C)CO)cn1 823959632 MWNJIUBKQADGFW-QMMMGPOBSA-N 226.280 -0.140 50 20 BBGD C=CCNC(=O)NNC(=O)[C@H]1CCO[C@@H]1C 825517913 BNQDIKMHVBALQM-SFYZADRCSA-N 227.264 -0.072 50 20 BBGD O=C(NNC(=O)[C@H]1CCCc2nn[nH]c21)C1CC1 854180472 MIGYJWYUZUDRQX-ZETCQYMHSA-N 249.274 -0.218 50 20 BBGD CCNC(=O)NNC(=O)CNc1ccccn1 900386280 PLZJWKNCXRXRBO-UHFFFAOYSA-N 237.263 -0.156 50 20 BBGD COC(=O)CC(=O)NNC(=O)NCC1CC1 906417619 NUEQHDVHXYJMJQ-UHFFFAOYSA-N 229.236 -0.710 50 20 BBGD CC(=O)NNC(=O)[C@H]1CC(=O)N(C2CC2)C1 919405601 RSWGJEIHYJXVQV-ZETCQYMHSA-N 225.248 -0.835 50 20 BBGD Cc1n[nH]cc1C=NNC(=O)CS(C)(=O)=O 1261832808 BKDGYFYNFVCYJT-UHFFFAOYSA-N 244.276 -0.787 50 20 BBGD CC(=O)NCC(=O)NNc1nc2ccccn2n1 1320696943 LOBSAXRSDJUIKL-UHFFFAOYSA-N 248.246 -0.692 50 20 BBGD COC(=O)NNC(=O)CCc1cncn1C 1327191432 QTYPFOLTELKAKL-UHFFFAOYSA-N 226.236 -0.260 50 20 BBGD C=CCNC(=S)NNC(=O)C#CCOC 1327721010 WJQNPHLIVQZDIW-UHFFFAOYSA-N 227.289 -0.683 50 20 BBGD NNC(=O)c1cnc(C2CCNCC2)o1 1343460357 YRPXISXKKBOVAI-UHFFFAOYSA-N 210.237 -0.255 50 20 BBGD COC(=O)CNC(=O)NN=CCCCC(=O)O 1593851473 PMFHNRYAEXBPRY-UHFFFAOYSA-N 245.235 -0.301 50 20 BBGD CON1CCC(=NNC(=O)C(=O)O)CC1 1599317906 DIJOXMARCITAFP-UHFFFAOYSA-N 215.209 -0.800 50 20 BBGD C[C@@H](C(=O)O)C(=O)NNC(=O)C1CCC1 1609700804 CNZFRHNAZHAJQR-RXMQYKEDSA-N 214.221 -0.345 50 20 BBGD CCc1oc(C=NNC(=O)CO)cc1C(=O)O 1610080221 SNBVFRFQWWYHQF-UHFFFAOYSA-N 240.215 -0.017 50 20 BBGD Cc1ccc(C(=O)NNC(=O)CO)s1 136654815 UUAYRBPBXPFYNE-UHFFFAOYSA-N 214.246 -0.190 50 20 BBGD Cc1ccc(NC(=O)NNC(=O)CO)c(C)n1 186531765 ATECXYASAYGRSN-UHFFFAOYSA-N 238.247 -0.157 50 20 BBGD COCCCCNCc1ccc(B(O)O)cc1 585016341 VZFCSXVEBAABCO-UHFFFAOYSA-N 237.108 -0.117 50 20 BBGD OB(O)c1ccccc1CNC[C@@H]1CC[C@@H](O)C1 585037761 JCNKAYXMHJSSTQ-ZYHUDNBSSA-N 249.119 -0.383 50 20 BBGD OB(O)c1cccc(CNCC23CC(CO2)C3)c1 585048946 HNZWFMAUGBLOAH-UHFFFAOYSA-N 247.103 -0.365 50 20 BBGD CCS[C@H](C(=O)NCB(O)O)C(C)C 585059212 DMSBKAVSEYMFQH-ZETCQYMHSA-N 219.115 -0.108 50 20 BBGD O=C(Cc1cc[nH]n1)NNC(=O)[C@@H]1CCCO1 730102477 FYTHSJVPOHCECT-QMMMGPOBSA-N 238.247 -0.721 50 20 BBGD C#Cc1ccc(C(=O)NNC(=O)CN(C)C)cn1 733359513 QRLWOQBMGLQMIO-UHFFFAOYSA-N 246.270 -0.615 50 20 BBGD CC(=NNC(=O)C(=O)NC1CC1)[C@@H]1CCOC1 741759373 MMYGPXUOIQONEL-MRVPVSSYSA-N 239.275 -0.206 50 20 BBGD CC(=O)NCC(=O)NNC(=O)c1ccc(C)o1 752824134 ICTRDDIUEMBBEO-UHFFFAOYSA-N 239.231 -0.515 50 20 BBGD C#CC(=O)NNc1nc(C)cc(OC)n1 754059588 MAAFRIOOKHHLFF-UHFFFAOYSA-N 206.205 -0.130 50 20 BBGD COCC(=O)NNC(=O)Nc1nnc(C)s1 755428355 RGARDRBXNKTVJP-UHFFFAOYSA-N 245.264 -0.354 50 20 BBGD COC(=O)NNC(=O)CCN1CCCC1=O 765846489 JJCXVMDWTPOXHI-UHFFFAOYSA-N 229.236 -0.614 50 20 BBGD CC(C)[C@@H](O)C(=O)NNC(=O)C1CCC1 796360486 AHYQWABMXKVWRJ-MRVPVSSYSA-N 214.265 -0.049 50 20 BBGD COCC[C@H]1CCCC1=NNC(=O)C(N)=O 799864753 KBJDQCQQBXYQSQ-SSDOTTSWSA-N 227.264 -0.220 50 20 BBGD CCOC(=O)NNC(=O)[C@](C)(C#N)CC(=O)O 820369067 MIOOYIKUGYFJIB-VIFPVBQESA-N 243.219 -0.232 50 20 BBGD CCN(CCO)NC(=O)Cc1nonc1C 823893263 BWKNNBGYIWVKFT-UHFFFAOYSA-N 228.252 -0.734 50 20 BBGD C[C@H](CO)N(C)NC(=O)COC[C@@H]1CCCO1 823959980 TVZBQEHFBBHAIE-ZJUUUORDSA-N 246.307 -0.474 50 20 BBGD CCOC(=O)NNC(=O)[C@@H](C)CC(=O)O 829865460 DHXDBDOUPPFYGW-YFKPBYRVSA-N 218.209 -0.126 50 20 BBGD COCC(=O)NN=Cc1nnn(C(C)(C)C)n1 853318187 LJCXUZAYUIRQCN-UHFFFAOYSA-N 240.267 -0.475 50 20 BBGD CN1C(=O)CN(CC(=O)NN(C)C2CC2)C1=O 862037731 JUQBCJBRJKFJMK-UHFFFAOYSA-N 240.263 -0.994 50 20 BBGD O=C1CC[C@@H](C(=O)NNC(=O)c2cn[nH]c2)C1 862469368 IPLYTGVUECGCPW-ZCFIWIBFSA-N 236.231 -0.460 50 20 BBGD C[C@@H](O)CN(C)NC(=O)c1cccc2nn[nH]c12 910152163 MDAYIJNWCSQBJL-SSDOTTSWSA-N 249.274 -0.085 50 20 BBGD NNC(=O)c1ccc(=O)n(-c2ccccc2)n1 914464954 XCALPFMAMQBHEA-UHFFFAOYSA-N 230.227 -0.164 50 20 BBGD COC[C@H](C)NC(=S)NNC(=O)OC 916116341 QQPRGTTYVPCNKB-YFKPBYRVSA-N 221.282 -0.244 50 20 BBGD CNC(=O)NNC(=O)CCc1c(C)n[nH]c1C 1251227460 NAGVJGBOBIBDKM-UHFFFAOYSA-N 239.279 -0.081 50 20 BBGD Cc1nn(C)cc1C(=O)NNC(=O)N(C)C 1318787322 CLZDOCLJWYCUES-UHFFFAOYSA-N 225.252 -0.355 50 20 BBGD O=C(CO[C@H]1CCOC1)NNC(=O)C1CC1 1319370211 VMFBVNZXNWIOKA-QMMMGPOBSA-N 228.248 -0.651 50 20 BBGD CN(C)C(=O)NNC(=O)c1cnn(C)c1 1324683466 FSRLBGQZCWELJZ-UHFFFAOYSA-N 211.225 -0.664 50 20 BBGD CNC(=O)NNC(=O)c1cncc(O)c1 1327372512 JXPCPMDZRYIARG-UHFFFAOYSA-N 210.193 -0.639 50 20 BBGD O=C(NNc1ccncn1)C1(O)CCOCC1 1331426184 QTLURBBLVICUIA-UHFFFAOYSA-N 238.247 -0.539 50 20 BBGD O=C(NNC(=O)C1(F)CCOCC1)NC1CC1 1335465987 OIQLOOGHDNREKT-UHFFFAOYSA-N 245.254 -0.002 50 20 BBGD C=CCNC(=S)NNC(=O)c1ccon1 1339804351 RYFBSMLYKIBPHT-UHFFFAOYSA-N 226.261 -0.031 50 20 BBGD Cc1ocnc1C(=O)NNC(=O)Cc1cc[nH]n1 1342406746 DDNQYFMEDCCQLI-UHFFFAOYSA-N 249.230 -0.290 50 20 BBGD CC(C)c1nnc2n1C[C@@H](C(=O)NN)CC2 39947105 KEZQEVBWFOSWEP-ZETCQYMHSA-N 223.280 -0.046 50 20 BBGD O=C(CO)NNC(=O)Cc1ccc(F)c(F)c1 182740460 QJKBPPMPPOOBSR-UHFFFAOYSA-N 244.197 -0.353 50 20 BBGD O=C(CO)NNC(=O)Nc1ccccc1 186358145 QCGLBEPLKHARCE-UHFFFAOYSA-N 209.205 -0.168 50 20 BBGD O=C(NNC(=O)C1CCC1)c1cnc[nH]1 264923229 KRNWUFPYVXEYLL-UHFFFAOYSA-N 208.221 -0.029 50 20 BBGD C[C@@H](NCc1ccc(B(O)O)cc1)[C@H]1CCOC1 585026197 CYRFSVQBIUCRQW-PWSUYJOCSA-N 249.119 -0.119 50 20 BBGD C[C@H](O)C1(NCc2ccc(B(O)O)cc2)CC1 585049361 DUKLHVYCYLSDPA-VIFPVBQESA-N 235.092 -0.631 50 20 BBGD O=S(=O)(/C=C/c1ccccc1)NCB(O)O 585054701 QIYRRYZNGQXXKU-VOTSOKGWSA-N 241.077 -0.411 50 20 BBGD CCC(=O)NNS(=O)(=O)c1cnn(CC)c1 727350110 GCOWOFTXBPRVMT-UHFFFAOYSA-N 246.292 -0.378 50 20 BBGD O=C(NNc1cccnn1)[C@@H]1CCOC1 736704019 DVAHYOCJVYKQSH-SSDOTTSWSA-N 208.221 -0.044 50 20 BBGD CCC(=O)NNC(=O)[C@H](C)SCC(=O)O 736846034 AZXNBQIJAQUCPX-YFKPBYRVSA-N 234.277 -0.250 50 20 BBGD C[C@H](CC(=O)NNC(=O)CO)C1CC1 753451619 GLKHVKUHBADKEM-ZCFIWIBFSA-N 200.238 -0.438 50 20 BBGD CC(C)(O)C(=O)NNC(=O)C[C@H]1CCCO1 768243869 JBOVSPNFBBOYAO-SSDOTTSWSA-N 230.264 -0.526 50 20 BBGD O=C1C[C@H](C(=O)NN=c2cc[nH]cc2)CCN1 780761543 VFVRFCFSWRMFBK-MRVPVSSYSA-N 234.259 -0.527 50 20 BBGD CCNC(=O)CC(=O)NNC(=O)C(C)C 780856357 XNOUJJHPIPDHLE-UHFFFAOYSA-N 215.253 -0.684 50 20 BBGD COC(=O)c1ccc(NNC(=O)[C@H](C)O)nc1 787157639 MCGRSDDDXPDRIF-LURJTMIESA-N 239.231 -0.308 50 20 BBGD O=C(N=c1cc[nH]cc1)NNC(=O)c1cc[nH]n1 802034831 YNZUCRUGTOWJAA-UHFFFAOYSA-N 246.230 -0.307 50 20 BBGD C#CCn1ccnc1C=NNC(=O)COC 807975898 CMUNAKKKRZIMBU-UHFFFAOYSA-N 220.232 -0.387 50 20 BBGD CCOCCOCCCC(=O)NN(C)C(N)=O 831520209 UDBPXEVZOKYQNQ-UHFFFAOYSA-N 247.295 -0.139 50 20 BBGD O=C1CC[C@H](C(=O)NN=Cc2ccncc2)N1 1118889902 WRBGIXSTNXNXRH-SECBINFHSA-N 232.243 -0.190 50 20 BBGD CN(NC(=O)c1c[nH]c(C#N)c1)C(N)=O 1254301395 AQGUHOLAZQQQCE-UHFFFAOYSA-N 207.193 -0.458 50 20 BBGD Cc1cc(C(=O)NNC(=O)N(C)C)n[nH]1 1318160480 MGELTGDIVOPDHN-UHFFFAOYSA-N 211.225 -0.366 50 20 BBGD CC(=O)NNC(=S)NC[C@H]1CCOC1 1319379926 CUMWZZAMGGMMRY-SSDOTTSWSA-N 217.294 -0.462 50 20 BBGD O=C(NNc1ncccc1[N+](=O)[O-])c1nc[nH]n1 1319962463 OBADPSUYEBZQFQ-UHFFFAOYSA-N 249.190 -0.135 50 20 BBGD C#CCCCC(=O)NNC(=O)c1ccc[n+]([O-])c1 1333527137 CPXWCOMBFIVUSR-UHFFFAOYSA-N 247.254 -0.116 50 20 BBGD CNC(=O)NNC(=O)CC1CCOCC1 1339188883 WYCMXIUUGXASBH-UHFFFAOYSA-N 215.253 -0.237 50 20 BBGD CNC(=O)NNC(=O)c1ccc(C(=O)O)[nH]1 1610140884 OXEHOCJVBJCPER-UHFFFAOYSA-N 226.192 -0.713 50 20 BBGD CN(C)CC(=O)NNC(=O)Nc1cccnc1 156450185 UAQRKMSRKLCUOO-UHFFFAOYSA-N 237.263 -0.204 50 20 BBGD Cn1cnc(C(=O)NNC(=O)c2cccnc2)c1 178153483 ONSCMXSGDJFEGL-UHFFFAOYSA-N 245.242 -0.110 50 20 BBGD CC(C)NC(=O)NNC(=O)CN(C)C 263874943 JPIIZDFIQVGOTC-UHFFFAOYSA-N 202.258 -0.713 50 20 BBGD O=C(CCl)N1C[C@H](O)[C@H](n2ccnc2)C1 409428632 GUFLHORJLYIUDL-SFYZADRCSA-N 229.667 -0.134 50 20 BBGD COC(=O)NNC(=S)NCCN(C)C 490615563 DFPRFYRPBIDZGS-UHFFFAOYSA-N 220.298 -0.717 50 20 BBGD COc1ncc(/C=C\C(=O)NNC(C)=O)cn1 492711470 TWGYESVTHYAQAE-ARJAWSKDSA-N 236.231 -0.334 50 20 BBGD COCCN(C)NC(=O)[C@@H]1NC(=O)O[C@H]1C 495933883 KKLRIJUILKSFLM-NKWVEPMBSA-N 231.252 -0.907 50 20 BBGD Cn1cc(CCOc2ccc(B(O)O)cc2)nn1 584909351 BMBGRMTUSGQZES-UHFFFAOYSA-N 247.063 -0.884 50 20 BBGD CC[C@H](CO)NCc1ccccc1B(O)O 585015251 UNFFKNYJCGTYGY-SNVBAGLBSA-N 223.081 -0.773 50 20 BBGD C[C@@H](CCO)NCc1cccc(B(O)O)c1 585028061 HHZMHFIIZFLONW-VIFPVBQESA-N 223.081 -0.773 50 20 BBGD O=C(NCB(O)O)c1cc(Br)c[nH]1 585061316 VUFZTWYNVQJXJS-UHFFFAOYSA-N 246.857 -0.481 50 20 BBGD NC(=O)C(=O)NN=C1COCc2ccccc21 782120577 YEJAKQLWUOKGMN-UHFFFAOYSA-N 233.227 -0.478 50 20 BBGD CC(=O)NNC(=O)[C@@H]1CCCN1C1CC1 786621481 QBCQSEIAPJHVJL-VIFPVBQESA-N 211.265 -0.220 50 20 BBGD Cc1c[nH]nc1C(=O)NNC(=O)CN(C)C 799833785 CUHQLFFGQCUMRL-UHFFFAOYSA-N 225.252 -0.959 50 20 BBGD COC/C(C)=C/C(=O)NN(C)[C@@H](C)CO 823913253 QQZFXLVSTJSICC-QRJSTWQJSA-N 216.281 -0.077 50 20 BBGD Cc1nc2c(c(O)nn2C)c(C)c1CC(=O)NN 825645098 OWVVJRIKSNCVSU-UHFFFAOYSA-N 249.274 -0.177 50 20 BBGD O=C(CC1(O)CCC1)NNC(=O)c1cn[nH]c1 862469864 VEJZAWXEXIQZDO-UHFFFAOYSA-N 238.247 -0.524 50 20 BBGD OB(O)c1ccc(CNCC(F)F)cc1 863890394 UINXKYRLODRMMK-UHFFFAOYSA-N 215.008 -0.279 50 20 BBGD COCCOCC(=O)NNC(=S)NC1CC1 865244684 SSKBKBFSFGYPAF-UHFFFAOYSA-N 247.320 -0.693 50 20 BBGD CN1CC[C@@H](NCc2ccc(B(O)O)cc2)C1 877019645 OVSRAFXQVYIMGP-GFCCVEGCSA-N 234.108 -0.840 50 20 BBGD C#CCCCC(=O)NNC(=O)c1ccn(C)n1 887143360 VVGDGSXKZXXIOO-UHFFFAOYSA-N 234.259 -0.015 50 20 BBGD C[C@@H](O)CN(C)NC(=O)[C@@H]1CCCOC1 910165786 NCFILONPYSBORT-RKDXNWHRSA-N 216.281 -0.243 50 20 BBGD Cc1cc(C=NNC(=O)[C@@H]2CCC(=O)N2)nn1C 1118949472 QCEOTCGLPOUFPV-VIFPVBQESA-N 249.274 -0.543 50 20 BBGD COC(=O)C(=O)NN=C(C)[C@@H]1CCOC1 1318902665 HPBKLWRFMIMWHS-SSDOTTSWSA-N 214.221 -0.312 50 20 BBGD CNC(=O)NNC(=O)CCCCN(C)C 1322031975 GEFSYRDXQXLPLT-UHFFFAOYSA-N 216.285 -0.322 50 20 BBGD Cc1cc(C(=O)NNC(=O)[C@@H]2C[C@H]2F)n[nH]1 1349382426 XCPOXGAOVRLSED-PHDIDXHHSA-N 226.211 -0.163 50 20 BBGD C[C@@H](CNCc1ccc(B(O)O)cc1)C(=O)O 1589067000 VNPWKPDCOSKIBT-QMMMGPOBSA-N 237.064 -0.823 50 20 BBGD C[C@@H](O)CN(C)NC(=O)[C@H]1CC[C@H]1C(=O)O 1589151825 CDZSDWSLYZIFJU-GJMOJQLCSA-N 230.264 -0.559 50 20 BBGD C#CCN(CC)[C@H](C)C(=O)NNC(=O)CC 490841353 TWFPVXHUTPJZKJ-SECBINFHSA-N 225.292 -0.113 50 20 BBGD CCOC(=O)NNC(=O)COC1CCOCC1 491379287 VQNMJKWDLRJSMH-UHFFFAOYSA-N 246.263 -0.041 50 20 BBGD CC#CCCNCc1ccc(B(O)O)cc1 585034573 REWGGJJHKFJLQP-UHFFFAOYSA-N 217.077 -0.131 50 20 BBGD OB(O)c1cccc(CNC[C@@H]2CC[C@H](O)C2)c1 585038022 PTZAGUCTAFNNCG-YPMHNXCESA-N 249.119 -0.383 50 20 BBGD C[C@@H]1CSC[C@H]1NCc1ccc(B(O)O)o1 585040296 IELMNVRLAFJXSU-VXNVDRBHSA-N 241.121 -0.200 50 20 BBGD C[C@H](O)C1(NCc2ccccc2B(O)O)CC1 585049697 JRJCOZITPGOTJY-VIFPVBQESA-N 235.092 -0.631 50 20 BBGD O=S(=O)(c1ccco1)N1CC[C@H](B(O)O)C1 585056567 RAALTRPHZXDQRP-ZETCQYMHSA-N 245.065 -0.483 50 20 BBGD O=C(NCB(O)O)[C@H]1Cc2ccccc2O1 585060353 CZRSYZSEARUOBC-SECBINFHSA-N 221.021 -0.882 50 20 BBGD O=C(NCB(O)O)c1n[nH]c2c1CCCC2 585063108 ZFFIOADHUZJBJC-UHFFFAOYSA-N 223.041 -0.970 50 20 BBGD O=C(CO)NNC(=O)c1ccc2nccnc2c1 753451736 IFLKCENSKWUMFB-UHFFFAOYSA-N 246.226 -0.617 50 20 BBGD O=C(NNC(=O)[C@@H]1C[C@@]12CCOC2)NC1CC1 763750522 OOQVTRLMDZCTCR-GZMMTYOYSA-N 239.275 -0.094 50 20 BBGD CCNC(=O)CCC(=O)NN(C)C(=O)NCC 768408729 BASCSFJMDLWOLK-UHFFFAOYSA-N 244.295 -0.405 50 20 BBGD CN(C)[C@H]1CCCC(=NNC(=O)C(N)=O)C1 788408750 OUYLCLAIRCZQKM-QMMMGPOBSA-N 226.280 -0.552 50 20 BBGD CCN(CCO)NC(=O)/C=C\COC 823828712 HFXOUUDLZHBTEM-PLNGDYQASA-N 202.254 -0.466 50 20 BBGD CCN(CCO)NC(=O)C1=COCC1 823855767 FTEIFISVRSNNLR-UHFFFAOYSA-N 200.238 -0.364 50 20 BBGD COc1cc(C(=O)NN(C)[C@@H](C)CO)nn1C 823935150 NRFZLRRIKGJIDN-ZETCQYMHSA-N 242.279 -0.614 50 20 BBGD CC(C)N(C)CC(=O)NN(C)[C@H](C)CO 823964926 GGMBHCXTAFPPTG-SECBINFHSA-N 217.313 -0.330 50 20 BBGD O=C(NNc1ncccn1)[C@@H]1C[C@]12CCNC2 826726044 BQKUSBMUXYNMHE-KWQFWETISA-N 233.275 -0.081 50 20 BBGD CNC(=O)NN=Cc1nnn(C(C)(C)C)n1 853292473 RIGRYBAGHZZXQU-UHFFFAOYSA-N 225.256 -0.309 50 20 BBGD O=C(NNC(=O)c1cn[nH]c1)C1=COCCC1 862471801 OLAJLJKNKHHHBT-UHFFFAOYSA-N 236.231 -0.135 50 20 BBGD O=C1CC[C@H](C(=O)NNc2ccc(F)cn2)N1 874650186 UFKFHPFSRZCYTJ-SSDOTTSWSA-N 238.222 -0.058 50 20 BBGD C#CCN1CCC[C@H]1C(=O)NN(C)C[C@H](C)O 910140058 GOVSPJMRTGJIBF-QWRGUYRKSA-N 239.319 -0.572 50 20 BBGD C[C@@H](O)CN(C)NC(=O)[C@@H]1CCN(C)C1 910156858 NHJUBTNEPMTZTQ-RKDXNWHRSA-N 215.297 -0.718 50 20 BBGD C#CCNCC(=O)NNC(=O)c1ccccc1 1122491390 BTCSUEKNIDGOQR-UHFFFAOYSA-N 231.255 -0.330 50 20 BBGD COc1nn(C)cc1C(=O)NN(C)C(N)=O 1331306508 UWCHRWNFROUTRY-UHFFFAOYSA-N 227.224 -0.916 50 20 BBGD CN(NC(=O)[C@@H]1CCc2ncncc2C1)C(N)=O 1346080442 IKUJZHPADBGSNX-SSDOTTSWSA-N 249.274 -0.377 50 20 BBGD NNC(=O)c1cc(C(=O)O)cc([N+](=O)[O-])c1 1601191917 IDBDUDVHBPCZCY-UHFFFAOYSA-N 225.160 -0.104 50 20 BBGD O=C(NNC(=O)C(=O)O)N[C@H]1CCC[C@H](F)C1 1608477179 GFYKEKYAPRVHEL-WDSKDSINSA-N 247.226 -0.318 50 20 BBGD C[C@H]1CN(C(=O)CCl)CCN1CCO 2088591834 ITKXXNGQHQCKAU-QMMMGPOBSA-N 220.700 -0.250 50 20 BBGD Cc1cnc(NC(=O)NNC(=O)CO)s1 182881290 YBSUJRYPZYUNPB-UHFFFAOYSA-N 230.249 -0.403 50 20 BBGD COC(=O)N(C)NC(=O)[C@]1(O)CCSC1 286552170 ZHFJMGYXLZGSGC-QMMMGPOBSA-N 234.277 -0.416 50 20 BBGD CN(NC(=O)CNC(C)(C)C)C(N)=O 308621073 TZNHDSHRUPWFST-UHFFFAOYSA-N 202.258 -0.584 50 20 BBGD CN(C)CCCNCc1ccccc1B(O)O 585014550 VHZPCWAWVPELNC-UHFFFAOYSA-N 236.124 -0.592 50 20 BBGD CN(C)Cc1ccc(C(=O)NCB(O)O)cc1 585074324 XJTVEZDTCVLSKC-UHFFFAOYSA-N 236.080 -0.510 50 20 BBGD CCOC(=O)NNC(=O)[C@H]1C[C@@H]1C(=O)O 737146853 RBEZNOAPVAWOKZ-WHFBIAKZSA-N 216.193 -0.516 50 20 BBGD CC(C)C(=O)NNC(=O)Cc1cnn(C)c1 750719097 MDQDNSICANSKFX-UHFFFAOYSA-N 224.264 -0.234 50 20 BBGD COc1ccc(NC(=O)NNC(=O)CO)cc1 755343498 ZAGIWAUSCQRNRL-UHFFFAOYSA-N 239.231 -0.160 50 20 BBGD C[C@@H](NS(C)(=O)=O)C(=O)NN=CC1CC1 755698846 MINVLASWLAPRIR-ZCFIWIBFSA-N 233.293 -0.564 50 20 BBGD CN(NC(=O)[C@@H]1CN2CCCN1CC2)C1CC1 819650454 MWQIDDBZWAOHPO-NSHDSACASA-N 238.335 -0.498 50 20 BBGD CC(C)C[C@H](C(N)=O)C(=O)NN(C)[C@@H](C)CO 823916952 BSEHBBUTKIFOJE-DTWKUNHWSA-N 245.323 -0.522 50 20 BBGD C[C@H](CN)NS(=O)(=O)CBr 850586145 LZQVOCDTZAZGLT-SCSAIBSYSA-N 231.115 -0.395 50 20 BBGD CO[C@H](C(=O)NNC(=O)c1cc[nH]n1)C1CC1 855357079 ZQEDRMQTUBJYQG-QMMMGPOBSA-N 238.247 -0.404 50 20 BBGD CC[C@H](C(=O)NNC(=O)c1cn[nH]c1)[C@H](C)O 863934619 FRMKDKIKALXHAZ-XPUUQOCRSA-N 240.263 -0.422 50 20 BBGD CCNC(=O)NNC(=O)[C@@]1(CC)CCNC1=O 865015617 DUOIFAGBXZMGBA-JTQLQIEISA-N 242.279 -0.747 50 20 BBGD COc1ccc2c(c1)CCC2=NNC(=O)C(N)=O 872326605 PUWQCWPTGQTEKS-UHFFFAOYSA-N 247.254 -0.053 50 20 BBGD COC/C=C/C(=O)NN(C)C[C@H](C)O 910151578 CUITXCHMZQHSBW-ZJELKQJVSA-N 202.254 -0.467 50 20 BBGD CCC[C@H](O)C(=O)NNC(=O)NCC1CC1 930734962 SQENKGNGSHQNEL-QMMMGPOBSA-N 229.280 -0.112 50 20 BBGD CC[C@](C)(O)C(=O)NNC(=O)N(C)C 931120185 XRQBVJQQMPDKES-QMMMGPOBSA-N 203.242 -0.550 50 20 BBGD CC(=O)NNC(=O)c1ccc(-n2cncn2)nc1 1116628141 GNIQBTOTPXCZTH-UHFFFAOYSA-N 246.230 -0.557 50 20 BBGD COCC#CC(=O)NN(C)C(=O)OC 1118759549 QKGDRQSILMKBAJ-UHFFFAOYSA-N 200.194 -0.634 50 20 BBGD Cn1ccnc(NNC(=O)CC(C)(C)O)c1=O 1321194623 XKNFXRVPGKZALO-UHFFFAOYSA-N 240.263 -0.616 50 20 BBGD O=C(NNC(=O)N1CCOCC1)c1cnc[nH]1 1328898597 BTCISHKLKUNSBA-UHFFFAOYSA-N 239.235 -0.904 50 20 BBGD CC(C)NC(=O)NNC(=O)C[C@@H]1CCC(=O)N1 1330238954 XANOCIMFJUTMLO-ZETCQYMHSA-N 242.279 -0.606 50 20 BBGD Cc1nn(C)cc1C=NNC(=O)[C@H]1CCC(=O)N1 1335346845 DRBCGIYITDFLEK-SECBINFHSA-N 249.274 -0.543 50 20 BBGD CC[C@@H](CN)C(=O)NNC(=O)NC1CC1 1574076133 XFXMZBSPQOAYNL-LURJTMIESA-N 214.269 -0.536 50 20 BBGD O=C(O)CCC(=O)NNC(=O)C1CC1 5829970 AJQYYXIBEVGZFS-UHFFFAOYSA-N 200.194 -0.591 50 20 BBGD CNC(=O)NNC(=O)c1cccc(OC)c1O 48921150 BJCKMNLQYCQDFY-UHFFFAOYSA-N 239.231 -0.025 50 20 BBGD CNC(=O)NNC(=O)c1ccc(N(C)C)nc1 48950620 UTUFACCMUUOVRO-UHFFFAOYSA-N 237.263 -0.279 50 20 BBGD CNC(=O)NNC(=O)CC[C@@H]1CCCO1 48950652 HUJKHQZXJPBYNY-ZETCQYMHSA-N 215.253 -0.094 50 20 BBGD CSCC(=O)NNC(=O)[C@@H]1CCCO1 75941988 IFKPEWDPQCEBGT-LURJTMIESA-N 218.278 -0.324 50 20 BBGD Cc1cnc(Br)cc1B(O)O 238496378 WSXBVBBLSHPNII-UHFFFAOYSA-N 215.843 -0.168 50 20 BBGD O=C(Nc1cccc(B(O)O)c1)[C@H]1CCCOC1 404935123 CTKRAZHHUQAAMK-VIFPVBQESA-N 249.075 -0.269 50 20 BBGD CCOC(=O)NCC(=O)NNC(=O)C(C)(C)C 490786217 ALJWPQRUMNZJMC-UHFFFAOYSA-N 245.279 -0.074 50 20 BBGD O=C(N[C@@H]1C=CCC1)c1cc(B(O)O)ccc1F 585005429 APCIOZSOARTDQK-SECBINFHSA-N 249.050 -0.046 50 20 BBGD C[C@H](NCc1ccc(B(O)O)o1)C(F)(F)F 585047395 BLVNXMOHSDUNNE-YFKPBYRVSA-N 236.986 0.000 50 20 BBGD COc1c(N)ncnc1N1CC[C@@H](B(O)O)C1 585079213 VCWHNUAARBLIAC-ZCFIWIBFSA-N 238.056 -0.880 50 20 BBGD NC(=O)NNC(=O)CNC(=O)c1cccs1 700876486 HIIDHJHJVHHLCP-UHFFFAOYSA-N 242.260 -0.823 50 20 BBGD CCNC(=O)CCC(=O)NNC(=O)NC1CC1 732063462 SMUASERFDHFTHI-UHFFFAOYSA-N 242.279 -0.605 50 20 BBGD COC(=O)c1ccc(C=NNC(N)=O)n1C 814686597 QKZLXRDJXYOBFS-UHFFFAOYSA-N 224.220 -0.186 50 20 BBGD COCCCOCC(=O)NN(C)[C@@H](C)CO 823939010 DUVCXLRSPXYDSP-VIFPVBQESA-N 234.296 -0.617 50 20 BBGD C[C@H](CO)N(C)NC(=O)c1cccc2nn[nH]c12 823940222 VBVHOSTZAYKPOV-SSDOTTSWSA-N 249.274 -0.085 50 20 BBGD COC(=O)N(C)CC(=O)NN(C)C[C@H](C)O 824156749 RTCQBLLGSGZJJL-ZETCQYMHSA-N 233.268 -0.972 50 20 BBGD CC[C@@H](CO)C(=O)NN(C)C(=S)NC 854922743 PWASCKBGXKBVRR-LURJTMIESA-N 219.310 -0.528 50 20 BBGD CN(C)C1(C(=O)NNC(=O)c2ncccn2)CC1 854952537 LCOBWBFMIOBUSO-UHFFFAOYSA-N 249.274 -0.668 50 20 BBGD CCN(CC)CC(=O)NNC(=O)c1cn[nH]c1 862471774 NTCGWSHXFROBBB-UHFFFAOYSA-N 239.279 -0.488 50 20 BBGD N#CC1CN(C(=O)c2cc(B(O)O)ccc2F)C1 868558858 PPSVXFBNMLQUMR-UHFFFAOYSA-N 248.022 -0.899 50 20 BBGD CCNC(=O)NNC(=O)[C@H]1C[C@@H](O)C1 874193753 FWBBBYSDSAQYKI-OLQVQODUSA-N 201.226 -0.892 50 20 BBGD CC(C)Cn1ccc(C(=O)NNC(=O)CO)n1 897312862 OOAOCEHIVVONJF-UHFFFAOYSA-N 240.263 -0.708 50 20 BBGD C[C@@H](O)CN(C)NC(=O)C1(C)COC1 910153189 XPTOFLVPWXZFKS-SSDOTTSWSA-N 202.254 -0.633 50 20 BBGD C[C@@H](O)CN(C)NC(=O)c1csnn1 910169658 GBCPENIFJNEORI-RXMQYKEDSA-N 216.266 -0.505 50 20 BBGD CC[C@@](C)(O)C(=O)NN(C)CCOC 935912091 QADWILZNGDSDQM-SECBINFHSA-N 204.270 -0.243 50 20 BBGD C[C@@H](CO)N(C)NC(=O)CO[C@@H]1CCOC1 1119104804 MHLQPGGYPWZTDW-DTWKUNHWSA-N 232.280 -0.864 50 20 BBGD Cc1cnn(C)c1/C=C(/C#N)S(N)(=O)=O 1323517897 NEJYTTVNMWXSII-CLTKARDFSA-N 226.261 -0.119 50 20 BBGD Cc1ccn(CC(=O)NNc2cnnn2C)n1 1328635667 BTSSECMBXYDAGH-UHFFFAOYSA-N 235.251 -0.537 50 20 BBGD O=C(CCl)NC[C@@H](O)CN1CCCC1=O 1336912006 PDWKTVBEQGXYOW-SSDOTTSWSA-N 234.683 -0.675 50 20 BBGD CC(C)C(=O)NNC(=O)N[C@H](C)CC(=O)O 1589002037 RGKPDYUOYMKFIH-ZCFIWIBFSA-N 231.252 -0.164 50 20 BBGD COCC(C)(C)C(=O)NN(C)C(N)=O 272184315 MCOFNOMQOTXCHF-UHFFFAOYSA-N 203.242 -0.299 50 20 BBGD C=CCOCC(=O)NNC(=O)OCC 491224599 GHPMUEOWTVULLH-UHFFFAOYSA-N 202.210 -0.034 50 20 BBGD O=C(NCB(O)O)c1ccc(Cl)cn1 585061365 QQQYFRKEQKVGRE-UHFFFAOYSA-N 214.417 -0.523 50 20 BBGD CC(=O)NNC(=O)[C@H](C(C)C)N(C)C 730271575 BYTDDFXVPDYEDZ-QMMMGPOBSA-N 201.270 -0.260 50 20 BBGD COCCOCC(=O)NNC(=O)NC1CC1 733138876 IYSYFMAUWRMTIS-UHFFFAOYSA-N 231.252 -0.858 50 20 BBGD CS/C=C\C(=O)NNC(=O)C(C)(C)O 768258994 CKARSKFEEMUXRZ-PLNGDYQASA-N 218.278 -0.219 50 20 BBGD CCNC(=O)NNS(=O)(=O)C[C@H](C)OC 800834300 UOCOPVJMCANZJS-LURJTMIESA-N 239.297 -0.825 50 20 BBGD C[C@H](C(=O)NNc1cnccn1)N(C)C 822061872 AGIOHRDNDJSZFL-SSDOTTSWSA-N 209.253 -0.130 50 20 BBGD C[C@H](CO)N(C)NC(=O)[C@H]1CCCO1 823939452 LCRJWQBNLUMKAJ-HTQZYQBOSA-N 202.254 -0.491 50 20 BBGD Cc1cc(NNC(=O)[C@H](C)N(C)C)nc(N)n1 828371647 MTJAIYILORHYBN-ZETCQYMHSA-N 238.295 -0.240 50 20 BBGD CC(F)(F)C(=O)NNC(=O)c1cn[nH]c1 862469522 NCQBZOMVWNPSMJ-UHFFFAOYSA-N 218.163 -0.174 50 20 BBGD C=CC(=O)NCCC(=O)NN=c1cc[nH]c(C)c1 862512592 BCNGTHBPGLKPQZ-UHFFFAOYSA-N 248.286 -0.053 50 20 BBGD CC(C)C(=O)NNC(=O)[C@@H]1CCCC(=O)N1C 905125972 MTUMXROXLBGUFD-QMMMGPOBSA-N 241.291 -0.199 50 20 BBGD Cn1cccc1C(=O)N1CC[C@H](B(O)O)C1 1118973749 CYRUGLPPVSFGMV-QMMMGPOBSA-N 222.053 -0.286 50 20 BBGD NC(=O)C1(C(=O)NNC(=O)CC2CC2)CC1 1324389048 ULXYJEOJZLCSEZ-UHFFFAOYSA-N 225.248 -0.801 50 20 BBGD CC(C)NC(=O)NNC(=O)CCn1cncn1 1324632489 WPQUBRDSFJQDKG-UHFFFAOYSA-N 240.267 -0.593 50 20 BBGD CN(NC(=O)CCS(C)(=O)=O)C1CC1 1329172882 OXBPECIOALHGKN-UHFFFAOYSA-N 220.294 -0.454 50 20 BBGD O=C(NNC(=O)[C@@H]1C[C@@H]1F)c1cc[nH]n1 1521733783 YWPWWIFUFTWWGI-UHNVWZDZSA-N 212.184 -0.471 50 20 BBGD O=C(CO)NNC(=O)C[C@@H]1CNc2ccccc21 1580558361 VTWJWTCXHCTCMD-MRVPVSSYSA-N 249.270 -0.275 50 20 BBGD CCCNC(=O)NNC(=O)[C@H]1C[C@@H](C(=O)O)C1 1595925705 DJILNDKSKKXICX-KNVOCYPGSA-N 243.263 -0.162 50 20 BBGD CCNC(=O)CN(CC)S(=O)(=O)CCl 82512443 NRGBHMJKZXNNLP-UHFFFAOYSA-N 242.728 -0.030 50 20 BBGD CN(C)CC(=O)NNC(=O)c1ccc[nH]1 171354048 LPAVAYOYDGZOMB-UHFFFAOYSA-N 210.237 -0.663 50 20 BBGD CN(C)CC(=O)NNC(=O)C1=CCCCO1 178719360 PTECOCXSRBVNMJ-UHFFFAOYSA-N 227.264 -0.610 50 20 BBGD C[C@H]1CCC[C@@H]1CC(=O)NNC(=O)CO 184046750 XYESRKLLDCFGFN-JGVFFNPUSA-N 214.265 -0.048 50 20 BBGD CCC[C@@](C)(O)C(=O)NN(C)C(N)=O 272188650 NAEXOAAPJSQBAP-MRVPVSSYSA-N 203.242 -0.421 50 20 BBGD COCCOCCC(=O)NN(C)C(=O)OC 495762057 MUHBSSXQLCYULF-UHFFFAOYSA-N 234.252 -0.231 50 20 BBGD CC(C)NC(=O)COc1ccc(B(O)O)cc1 584909042 AZGDHNOIFCIPTE-UHFFFAOYSA-N 237.064 -0.730 50 20 BBGD C[C@H]1C[C@]1(C)NC(=O)c1ccc(B(O)O)cc1 585010673 WJNOYWHOZRBUTJ-UFBFGSQYSA-N 233.076 -0.105 50 20 BBGD OB(O)c1ccc(CNC2C[C@@H]3C[C@H]3C2)o1 585048320 NXXNBPBBGUETNV-YUMQZZPRSA-N 221.065 -0.153 50 20 BBGD CCO[C@@H](C(=O)NCB(O)O)c1ccccc1 585056234 RYKKDZQPGMWXAN-SNVBAGLBSA-N 237.064 -0.108 50 20 BBGD Cc1nc2ccccc2n1CC(=O)NCB(O)O 585060866 FXTCRVKIXLAMMW-UHFFFAOYSA-N 247.063 -0.527 50 20 BBGD CC[C@H](OC)C(=O)NNC(=O)c1c[nH]nc1C 732083019 UEBNFPAVCYWSIJ-QMMMGPOBSA-N 240.263 -0.096 50 20 BBGD CO[C@@H](C)C(=O)NNC(=O)C1CCC1 732141639 LRYHNQQALXHYSL-LURJTMIESA-N 200.238 -0.031 50 20 BBGD Cn1cccc1C(=O)NNC(=O)c1ccncn1 777444399 VPHPSVIZZPNEQM-UHFFFAOYSA-N 245.242 -0.110 50 20 BBGD C#CCO[C@H](C)C(=O)NN(C)[C@@H](C)CO 823917252 GIHFNVIHGAEZAV-DTWKUNHWSA-N 214.265 -0.632 50 20 BBGD O=CN1CCC[C@@H]1C(=O)NNC(=O)C1CCC1 827215950 IFMYMGLIOGPABG-SECBINFHSA-N 239.275 -0.445 50 20 BBGD CC(C)(C)NC(=S)NNC(=O)NCC(=O)O 833431121 MQLTZWXVZQZDDN-UHFFFAOYSA-N 248.308 -0.452 50 20 BBGD CC[C@@H](C(=O)NNC(=O)c1cc[nH]n1)[C@H](C)O 857305547 JGYJQQWIYNYZOP-NKWVEPMBSA-N 240.263 -0.422 50 20 BBGD COCCNC(=O)/C(C#N)=C\c1cn(C)nn1 1116119495 ILBMTMHRPWMEBD-YVMONPNESA-N 235.247 -0.515 50 20 BBGD Cc1[nH]c(C=NNC(=O)CCO)cc1C(=O)O 1116935752 MSRZMHAEXIVAMI-UHFFFAOYSA-N 239.231 -0.146 50 20 BBGD CCNC(=O)N(C)NC(=O)c1cn(C)nn1 1117637556 DPXWCUBQUIGWBA-UHFFFAOYSA-N 226.240 -0.879 50 20 BBGD CCCNC(=O)NNC(=O)[C@H]1C[C@H]1CN 1577545389 UIXANUPRZPVHMB-BQBZGAKWSA-N 214.269 -0.678 50 20 BBGD CC[C@H](C)NC(=S)NNC(=O)NCC(=O)O 1604967165 NQDZBEZGOVFAGB-YFKPBYRVSA-N 248.308 -0.452 50 20 BBGD CCOC(=O)NNC(=O)CCn1cncn1 55293783 BRAZCZGGEPEBDE-UHFFFAOYSA-N 227.224 -0.555 50 20 BBGD COC(=O)N(C)CC(=O)NN(C)C(=O)OC 286504457 WTUZRYMJYNIKSW-UHFFFAOYSA-N 233.224 -0.586 50 20 BBGD CNC(=O)NNC(=O)CNCC(F)(F)F 379947681 ROUYBBZLOBLTMW-UHFFFAOYSA-N 228.174 -0.902 50 20 BBGD CCCNC(=O)COc1ccc(B(O)O)cc1 584909058 BJTSFBBOQRAFMF-UHFFFAOYSA-N 237.064 -0.729 50 20 BBGD CC[C@H](C)CS(=O)(=O)N1CC[C@H](B(O)O)C1 585059073 YPWKYKBNOBOVAN-IUCAKERBSA-N 249.141 -0.089 50 20 BBGD O=C1CC(C(=O)NNC(=O)c2ccccc2)=NN1 731865285 AMOOWBGTCZVLBG-UHFFFAOYSA-N 246.226 -0.677 50 20 BBGD COC(=O)CNC(=O)NN=Cc1cccnc1 779816275 IRYSRTVPIRICLD-UHFFFAOYSA-N 236.231 -0.112 50 20 BBGD C=C(CO)C(=O)NNC(=O)c1ccccc1 791292726 QVWQNWLTOAPXKS-UHFFFAOYSA-N 220.228 -0.004 50 20 BBGD CN(NC(=O)C1(Br)CC1)C(N)=O 821460225 XYHXYQONTSVHKQ-UHFFFAOYSA-N 236.069 -0.044 50 20 BBGD CCN1CCO[C@H](C(=O)NN(C)[C@@H](C)CO)C1 823951171 ITTOVGHZUWGTGJ-UWVGGRQHSA-N 245.323 -0.949 50 20 BBGD CCNC(=O)N(C)NC(=O)[C@H](C)[C@H](C)N 831945434 QHIWZCKQQXIJLN-RQJHMYQMSA-N 216.285 -0.338 50 20 BBGD CC(C)=C(C)C(=O)NNC(=O)[C@H]1CCC(=O)N1 862456627 PZZWLQSLSDPKAR-MRVPVSSYSA-N 239.275 -0.231 50 20 BBGD CC[C@](C)(OC)C(=O)NNC(=O)c1cn[nH]c1 862470692 UXNAOTGTOLPISX-JTQLQIEISA-N 240.263 -0.014 50 20 BBGD C[C@H](O)CN(C)NC(=O)C[C@@H]1CCCO1 910171070 RZSWZLYAUMYIHE-IUCAKERBSA-N 216.281 -0.101 50 20 BBGD CCNC(=O)NNC(=O)CCN1CCOCC1 915877912 HJRHOLBADNGTCC-UHFFFAOYSA-N 244.295 -0.941 50 20 BBGD COC1(C(=O)NNc2cnnn2C)CCC1 1327875635 WGBNRTBYITYNDT-UHFFFAOYSA-N 225.252 -0.173 50 20 BBGD O=C(C[C@@H]1CCCO1)N1CC[C@H](B(O)O)C1 1335431466 JYKZGNDTZONVIT-IUCAKERBSA-N 227.069 -0.369 50 20 BBGD NC(=O)NN=Cc1ccc(-c2nn[nH]n2)cc1 1592731816 PDQNPRJMKRKPAK-UHFFFAOYSA-N 231.219 -0.131 50 20 BBGD NNC(=O)CCN1C(=O)NC2(CCCC2)C1=O 70168549 VTIYGTPFUNAXOV-UHFFFAOYSA-N 240.263 -0.769 50 20 BBGD CCn1cc(C(=O)NNC(=O)CN(C)C)cn1 114538910 LZWIVTLJSWZAKR-UHFFFAOYSA-N 239.279 -0.774 50 20 BBGD CS[C@H](C)C(=O)NNC(=O)C(C)(C)O 278043051 WDUFPFXHEHTRST-RXMQYKEDSA-N 220.294 -0.344 50 20 BBGD O=C(Cn1cc2ccccc2n1)NCB(O)O 585059956 HIGHAEXBFHBLRR-UHFFFAOYSA-N 233.036 -0.836 50 20 BBGD C#CC(=O)NNC(=O)Cn1cnc2ccccc21 753889821 WNUMLFMTEUNFGX-UHFFFAOYSA-N 242.238 -0.183 50 20 BBGD COC[C@](C)(O)C(=O)NNC(=O)NC(C)C 754988727 PUXPSGNPIHGJRK-VIFPVBQESA-N 233.268 -0.877 50 20 BBGD CC(=O)NNC(=O)Nc1cc(C)cn(C)c1=O 765219926 RDITVNWSSOANRT-UHFFFAOYSA-N 238.247 -0.134 50 20 BBGD C=Cn1cc(C=NNC(=O)C(=O)NC(C)C)cn1 773034009 XSMIGPOXRORDSF-UHFFFAOYSA-N 249.274 -0.042 50 20 BBGD CC(C)N1CC(=NNC(=O)CO)[C@H](C)C1 776780539 KUIARVVELMIXDN-MRVPVSSYSA-N 213.281 -0.189 50 20 BBGD Cc1cc(C(=O)NNC(=O)C(C)(C)O)n(C)n1 787945511 KRTRBCXGUFDRQM-UHFFFAOYSA-N 240.263 -0.740 50 20 BBGD CNC(=O)NNC(=O)c1ncc(C)cc1OC 792591534 LUENGOQOYZWLGY-UHFFFAOYSA-N 238.247 -0.028 50 20 BBGD C[C@H](CO)N(C)NC(=O)Cc1ncc[nH]1 823923126 PCSRQHSMPLLOJF-SSDOTTSWSA-N 212.253 -0.704 50 20 BBGD COCCN(C)NC(=O)[C@@H]1CCOC(=O)N1 861657176 ORUJKOPSBSSCCN-ZETCQYMHSA-N 231.252 -0.906 50 20 BBGD CC1(C)C[C@@H]1C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862457593 LWBRRIKDNNTXQM-RQJHMYQMSA-N 239.275 -0.542 50 20 BBGD COCCOCC(=O)NN=c1cc[nH]c(C)c1 862511542 TVIUVQXBAYYKKH-UHFFFAOYSA-N 239.275 -0.082 50 20 BBGD CCOCCC(=O)NN(C)C[C@@H](C)O 910166048 RGUSFSWQZIACCV-MRVPVSSYSA-N 204.270 -0.243 50 20 BBGD CCC(=O)N[C@@H](C)C(=O)NNC(=O)C1CC1 915262465 YFOPEVLYXMGWJG-LURJTMIESA-N 227.264 -0.542 50 20 BBGD NNC(=O)CCN1C(=O)[C@H]2CCCC[C@H]2C1=O 916665601 OCVNWZAHIPRIDS-OCAPTIKFSA-N 239.275 -0.458 50 20 BBGD COC(=O)C(=O)NNC1=N[C@H]2C=C[C@H]1C2 1319044679 HIGYPNFYJVFXQI-WDSKDSINSA-N 209.205 -0.863 50 20 BBGD COC(=O)N(C)NC(=O)C(=O)NCC1CC1 1322250986 MYIHHRZPBDPNPB-UHFFFAOYSA-N 229.236 -0.758 50 20 BBGD CCNC(=O)NNC(=O)Cc1cc[nH]n1 1330313345 BYKOBNOQQQLSPH-UHFFFAOYSA-N 211.225 -0.698 50 20 BBGD Cc1c(C(=O)NN(C)[C@H](C)CO)nnn1C 1332470188 PFACQYIBEWONFI-ZCFIWIBFSA-N 227.268 -0.919 50 20 BBGD CNCC(=O)NNc1ncc(Cl)cn1 1573896400 KPSKGIGCIRAMEX-UHFFFAOYSA-N 215.644 -0.208 50 20 BBGD COC(=O)N(C)NC(=O)N[C@H]1C[C@@H](C(=O)O)C1 1593855815 NCYVHZPBXHSCOA-OLQVQODUSA-N 245.235 -0.238 50 20 BBGD O=C(O)COCC(=O)NNc1ncc(F)cn1 1595107484 ZJZWBXOGNTXFNS-UHFFFAOYSA-N 244.182 -0.840 50 20 BBGD COC(=O)CN(CC(=O)O)C(=O)CCl 1598860163 QGNRQRPZKOWITI-UHFFFAOYSA-N 223.612 -0.689 50 20 BBGD CSC[C@H](C)C(=O)NNC(=O)CN(C)C 113423634 FDCJARGNRRBSKV-ZETCQYMHSA-N 233.337 -0.306 50 20 BBGD Cn1ccnc(NC(=O)CCl)c1=O 306184279 LGFPYUULCYJVSD-UHFFFAOYSA-N 201.613 -0.042 50 20 BBGD C[C@H](NCc1ccc(B(O)O)o1)[C@H]1CCCO1 585018562 YNWDGCNZBCMXRE-WCBMZHEXSA-N 239.080 -0.384 50 20 BBGD Cc1ncc(CNCc2ccc(B(O)O)o2)o1 585046048 LWJVDDHAPMRBMC-UHFFFAOYSA-N 236.036 -0.454 50 20 BBGD CCC(CC)NC(=O)C(=O)NNC(C)=O 740851740 SZDSIKFLPYHYFV-UHFFFAOYSA-N 215.253 -0.542 50 20 BBGD CNC(=O)NNC(=O)CC1(O)CCCC1 746159910 QQRMYRQOMAGURQ-UHFFFAOYSA-N 215.253 -0.358 50 20 BBGD O=C(CO)NNC(=O)[C@H](F)Cc1ccccc1 753444705 AMNQZZZBSOQGNZ-SECBINFHSA-N 240.234 -0.293 50 20 BBGD C[C@H](NS(C)(=O)=O)C(=O)NN=CC1CC1 755698792 MINVLASWLAPRIR-LURJTMIESA-N 233.293 -0.564 50 20 BBGD CCOCC(=O)NNC(=O)Nc1cnnn1C 809900472 DHLDTDAQSMSJNU-UHFFFAOYSA-N 242.239 -0.996 50 20 BBGD CCN(CCO)NC(=O)c1csc(CO)n1 823889423 VZSXZHJRTZCTAO-UHFFFAOYSA-N 245.304 -0.406 50 20 BBGD Cc1nnc(C(=O)NNC(=O)C(C)(C)O)s1 832754701 PZQDWGXRWIRUGH-UHFFFAOYSA-N 244.276 -0.622 50 20 BBGD CS[C@@H](C)C(=O)NNC(=O)c1cn[nH]c1 862474271 IFNQNXHCPQEBPV-YFKPBYRVSA-N 228.277 -0.078 50 20 BBGD C[C@H](O)CN(C)NC(=O)[C@H]1CC1(F)F 910145403 SICJARCBRMNDMT-NTSWFWBYSA-N 208.208 -0.015 50 20 BBGD Cc1cc(C=NNC(=O)C(N)=O)cc(C)c1O 916274225 ICHWYGDZTRUHFJ-UHFFFAOYSA-N 235.243 -0.056 50 20 BBGD CC(=O)NNC(=O)[C@@H](O)c1cccnc1 1117100507 ISGGAOOIFSDMIP-QMMMGPOBSA-N 209.205 -0.718 50 20 BBGD CNC(=O)C1(C(=O)NNC(C)=O)CCC1 1117778615 ZPUWONRQDHORSW-UHFFFAOYSA-N 213.237 -0.930 50 20 BBGD O=C1NCCC[C@@H]1C(=O)NNc1ccncn1 1118972767 IKRAZVFJKGBKEX-ZETCQYMHSA-N 235.247 -0.554 50 20 BBGD CC(=NNC(=O)CCO)c1cn(C)nc1C 1318930401 AJPGTPHVZNWVEH-UHFFFAOYSA-N 224.264 -0.049 50 20 BBGD COCCC(COC)=NNC(=O)CCO 1323975856 XJQGYWJXUPLETD-UHFFFAOYSA-N 218.253 -0.476 50 20 BBGD CNC(=O)NNC(=O)C[C@H]1CCC(=O)[C@H]1C 1324974984 DMWZYNDAEYCPPG-NKWVEPMBSA-N 227.264 -0.048 50 20 BBGD CN(NC(=O)c1cnn(C2CC2)c1)C(N)=O 1330215505 ZGUBRPDCTBPAQX-UHFFFAOYSA-N 223.236 -0.127 50 20 BBGD O=C1CC[C@@H](C(=O)NN=Cc2cncs2)N1 1331723279 QXPRQONAONYFFP-ZETCQYMHSA-N 238.272 -0.128 50 20 BBGD C[C@@H](O)CN(C)NC(=O)c1csc(O)n1 1332174151 ARJHIESIARUXEX-RXMQYKEDSA-N 231.277 -0.194 50 20 BBGD CCOc1cc(C(=O)NN(CC)CCO)[nH]n1 1352228878 FFBLDANZRASBOA-UHFFFAOYSA-N 242.279 -0.233 50 20 BBGD CNC(=O)NNC(=O)[C@]1(C)CC(C)=NO1 1353542359 UVXNEBMYQIKCQR-QMMMGPOBSA-N 214.225 -0.499 50 20 BBGD CC(C)C(=O)NNC(=O)CN(C)[C@H](C)C(=O)O 1590940363 YRWVFBPQPOHAEP-SSDOTTSWSA-N 245.279 -0.805 50 20 BBGD CSCCCNCc1ccc(B(O)O)o1 585025660 ZOEJIALROXRINU-UHFFFAOYSA-N 229.110 -0.198 50 20 BBGD C[C@@]1(NCc2ccc(B(O)O)o2)CCCOC1 585033744 JPCRLMFEQXWVRI-LLVKDONJSA-N 239.080 -0.382 50 20 BBGD O=C(Cn1ccccc1=O)NNc1cccnn1 736701930 LLKPTBDQWJDBQH-UHFFFAOYSA-N 245.242 -0.218 50 20 BBGD CC(C)NC(=O)NN=Cc1cnnn1C 751133107 LVKZZIGOARRTTJ-UHFFFAOYSA-N 210.241 -0.143 50 20 BBGD O=C(CO)NNC(=O)c1cnc(C2CC2)s1 753453018 WFLVWEWKPQWEPI-UHFFFAOYSA-N 241.272 -0.226 50 20 BBGD COC(=O)CNC(=O)NN=Cc1cscn1 779821488 XTIMVPSKLZMYFR-UHFFFAOYSA-N 242.260 -0.051 50 20 BBGD CC(C)NC(=O)C(=O)NN=C1C(=O)OC[C@@H]1C 794886404 KLOOUDLPEBKVFS-LURJTMIESA-N 241.247 -0.824 50 20 BBGD Cc1cc(C(=O)NN=C2C(=O)OC[C@H]2C)n[nH]1 794920297 JDSMCVBWSPULTN-RXMQYKEDSA-N 236.231 -0.003 50 20 BBGD O=S(=O)(CCl)N1C[C@@H]2C[C@@]2(CO)C1 849388219 QDBRORZQKHIQMJ-BQBZGAKWSA-N 225.697 -0.173 50 20 BBGD COC[C@H](OC)C(=O)NNC(=O)CC1CC1 854666080 MDTICQVNICAULJ-QMMMGPOBSA-N 230.264 -0.405 50 20 BBGD Cc1csc(NC(=O)NNC(=O)CN)n1 857762963 JQLXDPWYKGPYRZ-UHFFFAOYSA-N 229.265 -0.437 50 20 BBGD C#CCSCC(=O)NNC(=O)NC1CC1 900382754 IMYXGWYYIWHYAH-UHFFFAOYSA-N 227.289 -0.154 50 20 BBGD COCCCOCC(=O)NN(C)C[C@@H](C)O 910156663 VSIZCSWCKRMPNV-SECBINFHSA-N 234.296 -0.617 50 20 BBGD Cc1nnc(CNC(=O)NNc2ncccn2)o1 1317894293 HSOZATHLAAFWQY-UHFFFAOYSA-N 249.234 -0.006 50 20 BBGD CC(=O)NNC(=O)c1cc(CN(C)C)on1 1325099843 JDBHQPDKRNJNAY-UHFFFAOYSA-N 226.236 -0.483 50 20 BBGD COC(=O)COCC(=O)NNc1cccnn1 1328312804 ZOKRVKSNYHCRIQ-UHFFFAOYSA-N 240.219 -0.891 50 20 BBGD C[C@H](O)CN(C)NC(=O)C1CCC(O)CC1 1332629365 MQADSYSMDRQXCM-IDKOKCKLSA-N 230.308 -0.119 50 20 BBGD O=C(CC1COC1)NNC(=O)c1ccc[nH]1 1333985488 RAHJZTPRAWFCEG-UHFFFAOYSA-N 223.232 -0.188 50 20 BBGD C[C@H](CO)N(C)NC(=O)c1ccnc(N)c1 1576038545 WYTVZSIQUNUQLE-SSDOTTSWSA-N 224.264 -0.379 50 20 BBGD NC(=O)[C@@H]1CCCN1S(=O)(=O)CCl 82512337 HVEQDYOYXCXVAF-YFKPBYRVSA-N 226.685 -0.538 50 20 BBGD CN(NC(=O)c1cccc2nccn12)C(N)=O 778412337 NDTXZVZNKMVAGP-UHFFFAOYSA-N 233.231 -0.010 50 20 BBGD CSCC[C@@H](O)C(=O)NN(C)C(N)=O 778414821 KYGFIHLYBGNZKE-RXMQYKEDSA-N 221.282 -0.858 50 20 BBGD O=C(NN=c1cc[nH]cc1)c1nc[nH]n1 781021317 PVIOXNPVIQTDSR-UHFFFAOYSA-N 204.193 -0.622 50 20 BBGD Cc1ccc(NNC(=O)NCCC(=O)O)nn1 818914189 FSCRILBBVBNSOI-UHFFFAOYSA-N 239.235 -0.114 50 20 BBGD COCC(=O)NN=C1CCN(CCO)CC1 819808621 FCHHSSICRDKSTQ-UHFFFAOYSA-N 229.280 -0.807 50 20 BBGD O=C(NNc1ncccn1)[C@@H](O)C1CC1 820935831 XZLWIBLIDRCSNF-ZETCQYMHSA-N 208.221 -0.309 50 20 BBGD CCN(CCO)NC(=O)c1ocnc1C 823865284 MQLGUWURGSLCKZ-UHFFFAOYSA-N 213.237 -0.058 50 20 BBGD CNC(=S)N(C)NC(=O)Cc1ccn(C)n1 854922327 GDZUVMFBIMVEKU-UHFFFAOYSA-N 241.320 -0.570 50 20 BBGD CCn1nccc1C(=O)NN(C)C(=S)NC 854922362 HCZIGESZDKNWIO-UHFFFAOYSA-N 241.320 -0.016 50 20 BBGD O=C(CC1CC1)NNC(=O)c1cc(O)ncn1 861842063 ZOEODIKLZJWFTC-UHFFFAOYSA-N 236.231 -0.257 50 20 BBGD CC(=NNC(=O)CS(C)(=O)=O)[C@H]1CCOC1 863189407 LICKKNMQRVBEDB-QMMMGPOBSA-N 248.304 -0.440 50 20 BBGD COC(=O)[C@@H](NS(=O)(=O)CCl)[C@@H](C)O 885505037 DQFDRUTZASVQRL-UHNVWZDZSA-N 245.684 -0.976 50 20 BBGD C[C@H]1COC[C@H]1NCc1ccc(B(O)O)cc1 896734446 WAFLARFYNCGEMT-JOYOIKCWSA-N 235.092 -0.509 50 20 BBGD Cc1nn(C)cc1C=NNC(=O)C(=O)NC1CC1 1116380391 OOROSPWKFGFZJR-UHFFFAOYSA-N 249.274 -0.543 50 20 BBGD CCNC(=O)NNC(=O)[C@H]1CCN(C)C(=O)C1 1251280105 NOAFXINOHRBHPN-ZETCQYMHSA-N 242.279 -0.795 50 20 BBGD COC(=O)C(=O)NN=C(C)[C@H]1CCOC1 1318902666 HPBKLWRFMIMWHS-ZETCQYMHSA-N 214.221 -0.312 50 20 BBGD C=C[C@@H](COC)NCc1ccccc1B(O)O 1330224555 LJEBGNLLRLHITI-NSHDSACASA-N 235.092 -0.343 50 20 BBGD CCn1ccc(C(=O)NNc2nc[nH]n2)n1 1332507284 MQYOGGSAPZQSIY-UHFFFAOYSA-N 221.224 -0.222 50 20 BBGD C[C@H](C(=O)NNc1ccncn1)[C@H]1CCC(=O)N1 1348344182 JOOWZGBSTQMFNX-JGVFFNPUSA-N 249.274 -0.166 50 20 BBGD C[C@H](CO)N(C)NC(=O)CCCC(=O)O 1603201501 DQMVDZQKBOTUTA-SSDOTTSWSA-N 218.253 -0.415 50 20 BBGD Cc1ccc(CC(=O)NNC(=O)CO)cc1 180946035 YUGAVOXKFBRORL-UHFFFAOYSA-N 222.244 -0.323 50 20 BBGD Cc1csc(NC(=O)NNC(=O)CO)n1 182747817 ROMLJSSKZKARNV-UHFFFAOYSA-N 230.249 -0.403 50 20 BBGD CCNC(=O)NNC(=O)CNC(C)(C)C 309044945 NUOXCASNSNHSCJ-UHFFFAOYSA-N 216.285 -0.275 50 20 BBGD COc1cc(B(O)O)c2ncccc2c1 575441908 GTQIXMJSONMJIF-UHFFFAOYSA-N 203.006 -0.077 50 20 BBGD CC1CC(NC(=O)c2cccc(B(O)O)c2)C1 584956909 JDRARSGNIXIWST-UHFFFAOYSA-N 233.076 -0.105 50 20 BBGD CC1(C#N)CN(C(=O)c2cccc(B(O)O)c2)C1 584982497 GGQKYIDKWCQGGV-UHFFFAOYSA-N 244.059 -0.648 50 20 BBGD OB(O)c1cccc(CNCCOCC2CC2)c1 585024594 YETDPBMRLKPJQJ-UHFFFAOYSA-N 249.119 -0.117 50 20 BBGD CC1(C)[C@@H](NCc2ccc(B(O)O)o2)C[C@H]1O 585036865 QRUCQSWWVRXJBF-DTWKUNHWSA-N 239.080 -0.792 50 20 BBGD CC(F)(F)CNCc1ccc(B(O)O)o1 585044111 ZUMZNCLXWDPSSA-UHFFFAOYSA-N 218.996 -0.296 50 20 BBGD C[C@H]1C[C@@H](NCc2ccc(B(O)O)o2)CS1 585045536 CIIRPHFKIWEDJZ-JGVFFNPUSA-N 241.121 -0.057 50 20 BBGD C[C@@H]1CC[C@@H](CNCc2ccc(B(O)O)o2)O1 585045865 ITZPIIINGAYWFT-BDAKNGLRSA-N 239.080 -0.384 50 20 BBGD C[C@@H]1SCC[C@H]1NCc1ccc(B(O)O)o1 585048795 WSRJPOCBWOKORQ-IONNQARKSA-N 241.121 -0.057 50 20 BBGD OB(O)c1ccc(CN[C@H]2C[C@H](O)C2)c(F)c1 585049032 AGEWUGHIMNRMNM-MGCOHNPYSA-N 239.055 -0.882 50 20 BBGD Cc1ncc(/C=C/C(=O)NCB(O)O)s1 585061193 MRWZMGMWBIAXMF-NSCUHMNNSA-N 226.066 -0.407 50 20 BBGD CSCC1(CC(=O)NCB(O)O)CC1 585062361 HDPLYINRVCKQRK-UHFFFAOYSA-N 217.099 -0.352 50 20 BBGD CN(C)CC(=O)NNC(=O)CC[C@@H]1CCOC1 751388728 FBCJVIMTONVOCS-SECBINFHSA-N 243.307 -0.488 50 20 BBGD NC(=O)c1ccc(NNC(=O)CC2CC2)nn1 757404433 PFVIFOHHDCCQAB-UHFFFAOYSA-N 235.247 -0.181 50 20 BBGD N#CSCCCNC(=O)Cn1cnnn1 773594686 YOSXGFSHTPUCND-UHFFFAOYSA-N 226.265 -0.606 50 20 BBGD N#Cc1ccccc1OCC(=O)NNC(=O)CO 777781963 KOHRIMKTTYBSRV-UHFFFAOYSA-N 249.226 -0.923 50 20 BBGD COC(=O)CNC(=O)NN=Cc1ccncc1 779823985 XNAATZKZZLZKTM-UHFFFAOYSA-N 236.231 -0.112 50 20 BBGD CCNC(=O)NNC(=O)[C@H](CC)C(=O)OC 790514373 RGLYXTNNEWFKDX-LURJTMIESA-N 231.252 -0.464 50 20 BBGD CNC(=O)NCCC(=O)NNc1ncccn1 814278957 HKYBGJPYECXXRW-UHFFFAOYSA-N 238.251 -0.761 50 20 BBGD CC(C)C(=O)NNC(=O)c1nc(=N)cc[nH]1 821229371 GXCCCTWJPBXUEL-UHFFFAOYSA-N 223.236 -0.694 50 20 BBGD CNC(=S)N(C)NC(=O)CC1OCCCO1 854923023 XEDMOGIBZQEIIQ-UHFFFAOYSA-N 247.320 -0.393 50 20 BBGD CNC(=S)N(C)NC(=O)c1cnsn1 854926099 VOHUFNORYRXKFP-UHFFFAOYSA-N 231.306 -0.381 50 20 BBGD CC(C)=CC(=O)NNC(=O)[C@H]1CCC(=O)N1 862449077 LDGAZCSBTSCIAL-SSDOTTSWSA-N 225.248 -0.621 50 20 BBGD Cc1cc(=NNC(=O)CCCC(N)=O)cc[nH]1 862510603 MDUNXEBJLJEUDB-UHFFFAOYSA-N 236.275 -0.089 50 20 BBGD CCN(CCO)NC(=O)[C@@H]1[C@H]2CCC(=O)[C@@H]21 911443732 LGNTXBJXLFSDFS-FXBDTBDDSA-N 226.276 -0.443 50 20 BBGD CCNC(=O)NNC(=O)c1cnn(C)c1CC 920858133 VYRLDMFPKQRRQO-UHFFFAOYSA-N 239.279 -0.054 50 20 BBGD CC[C@H](NC(C)=O)C(=O)NNc1ccn(C)n1 1119263866 PYCZPWJGJHVOPA-QMMMGPOBSA-N 239.279 -0.222 50 20 BBGD CN(C)C(=O)NNC(=O)CCc1nccn1C 1123630231 HLEPQISKOQBTDR-UHFFFAOYSA-N 239.279 -0.345 50 20 BBGD CCn1ccc(C(=O)NNc2cnnn2C)n1 1331132117 NSWHRXMGYNZGDE-UHFFFAOYSA-N 235.251 -0.212 50 20 BBGD C[C@H](C(=O)NNc1ncccn1)[C@H]1CCC(=O)N1 1331298896 XWAFRLOUPGUPSY-JGVFFNPUSA-N 249.274 -0.166 50 20 BBGD COCCN(C)NC(=O)[C@H](O)c1ccccn1 1358228288 PBIVJJOEJPMVFG-SNVBAGLBSA-N 239.275 -0.276 50 20 BBGD COC[C@H](N)C(=O)NNc1cccc(C)n1 1579087061 WOVWUVMFJZSIND-QMMMGPOBSA-N 224.264 -0.193 50 20 BBGD CC(C)[C@H](NC(=O)NNC(=O)C(=O)O)C1CC1 1591013429 PYVJXJBQXNTEFT-ZETCQYMHSA-N 243.263 -0.164 50 20 BBGD CC1(C)SC[C@@H]1NC(=O)NNC(=O)C(=O)O 1593981548 GBDXIPWHWIQWJW-BYPYZUCNSA-N 247.276 -0.705 50 20 BBGD CC(=O)NNC(=O)C1(CC(=O)O)CCOCC1 1602760935 RQJVTBXUCYYTDT-UHFFFAOYSA-N 244.247 -0.575 50 20 BBGD NC(=O)C(=O)NNC(=O)c1ccc(Cl)cc1 5944683 OUAHPMFERUZMIJ-UHFFFAOYSA-N 241.634 -0.414 50 20 BBGD C[C@@H](CO)NS(=O)(=O)CCCCl 40810026 CBIYLNYVLBPCEC-LURJTMIESA-N 215.702 -0.085 50 20 BBGD Cc1ncc(C(=O)NNC(=O)CO)s1 182769177 RWHXZHHZEZFVKI-UHFFFAOYSA-N 215.234 -0.795 50 20 BBGD CC(C)[C@@H](N)C(=O)NNc1ncccn1 269095657 NNTCHNJDALVCHW-SSDOTTSWSA-N 209.253 -0.097 50 20 BBGD CNC(=O)NN=Cc1c[nH]c(C(=O)O)c1 378753242 WHUWEWGRALNMKS-UHFFFAOYSA-N 210.193 -0.024 50 20 BBGD CCO/C=C(/C#N)C(=O)N[C@H]1CC(=O)N(C)C1 490754413 OLLMHWLUIPLOCM-FUOZMLNRSA-N 237.259 -0.223 50 20 BBGD CC[C@@](C)(C#N)NC(=O)c1ccc(B(O)O)cc1 584936182 FRIRGZWWXXYHKX-LBPRGKRZSA-N 246.075 -0.212 50 20 BBGD CC[C@H](C(=O)NCB(O)O)N(CC)CC 585061560 VRGHHORIDBTPJN-MRVPVSSYSA-N 216.090 -0.765 50 20 BBGD O=C(O)NNS(=O)(=O)C[C@@H]1CCCO1 738660501 DYUFIPXKBNNCMS-YFKPBYRVSA-N 224.238 -0.733 50 20 BBGD CC(C)(O)C(=O)NNC(=O)[C@@H]1[C@H]2CCCO[C@H]21 768244829 OTOGJYMTMJLHBC-BWZBUEFSSA-N 242.275 -0.670 50 20 BBGD C[C@@H]1C[C@@H](C(=O)NNC(=O)C(C)(C)O)CCO1 768258991 CJKFDBVCCIWYMM-SFYZADRCSA-N 244.291 -0.280 50 20 BBGD CC[C@@H](CO)C(=O)NNC(=O)N(C)C 779753421 QAHRJYDINJVBDV-LURJTMIESA-N 203.242 -0.693 50 20 BBGD C=C[C@@](C)(O)CC(=O)NN(CC)CCO 823879094 DQTBCYYAWNKPJX-SNVBAGLBSA-N 216.281 -0.341 50 20 BBGD C[C@H](CO)N(C)NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 823918377 WKBRLHBTCGKDCR-KYXWUPHJSA-N 228.292 -0.102 50 20 BBGD CC(C)OCC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 843645708 GQDBJEPFJSVUBM-RKDXNWHRSA-N 244.291 -0.016 50 20 BBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)CC#N 843970558 HYBHWGJBPCFYNZ-BQBZGAKWSA-N 211.221 -0.528 50 20 BBGD CN(C)C(=O)NNC(=O)c1nn(C)cc1Cl 858907371 MUMYWVQMMGOXMS-UHFFFAOYSA-N 245.670 -0.011 50 20 BBGD C/C=C/C=C\C(=O)NNC(=O)[C@H]1CCC(=O)N1 862450088 WQZDRGFYDKNKSL-YJVJKBGNSA-N 237.259 -0.455 50 20 BBGD NNC(=O)c1cccnc1-n1cccn1 876784760 OQQZGTADEQZTGS-UHFFFAOYSA-N 203.205 -0.129 50 20 BBGD CNC(=O)NNC(=O)[C@@H]1CC[C@@H]2CCCCN21 900352268 AKKYSLZXMUSNBZ-IUCAKERBSA-N 240.307 -0.037 50 20 BBGD N#CC1(C(=O)NNC(=O)Cc2cc[nH]n2)CCC1 1254695217 BLQOZYJXENARGY-UHFFFAOYSA-N 247.258 -0.207 50 20 BBGD Cn1ncc(C(=O)NNc2ncccn2)c1N 1254760318 AYXNKLKBRQKRMJ-UHFFFAOYSA-N 233.235 -0.451 50 20 BBGD COCCCNC(=O)NNC(=O)c1ccon1 1318062068 HVQOQQWEFBKRNT-UHFFFAOYSA-N 242.235 -0.345 50 20 BBGD C[C@H](C(=O)NNc1cccnn1)n1cncn1 1320052887 FCXQRTXHUSPXQH-SSDOTTSWSA-N 233.235 -0.228 50 20 BBGD COC(=O)C(=O)NN=C(C)c1ccc(O)nn1 1320815129 WPLIWZMKIZVKLE-UHFFFAOYSA-N 238.203 -0.805 50 20 BBGD CCOC(=O)NNC(=O)c1coc(C(N)=O)c1 1337856284 IXWSSSIMHZPJSM-UHFFFAOYSA-N 241.203 -0.231 50 20 BBGD CCNC(=O)NNC(=O)[C@@H]1C[C@H](N)C1(C)C 1577792696 CYSNIFQAABFQCG-BQBZGAKWSA-N 228.296 -0.290 50 20 BBGD CCC1(CNC(=O)NNC(=O)C(=O)O)CC1 1595379130 WSBCQLNDKVMOFK-UHFFFAOYSA-N 229.236 -0.408 50 20 BBGD NNC(=O)c1cc2c([nH]c1=O)CCCC2 82675023 LSQRNEGRSBXBHN-UHFFFAOYSA-N 207.233 -0.143 50 20 BBGD O=C(NNC(=O)C1CC1)C1CCOCC1 198143143 UANDHVWRBWJEAU-UHFFFAOYSA-N 212.249 -0.030 50 20 BBGD CC(C)(O)C(=O)NNC(=O)c1cscn1 276328959 XWGHKGWRQDCNNN-UHFFFAOYSA-N 229.261 -0.325 50 20 BBGD O=C(C[C@H]1OCCc2ccccc21)NCB(O)O 585060737 XMSYYZRBECOFQI-LLVKDONJSA-N 249.075 -0.181 50 20 BBGD O=C(COCCc1ccccc1)NCB(O)O 585061790 HABQRPCWRVZMSZ-UHFFFAOYSA-N 237.064 -0.626 50 20 BBGD O=C(NNc1ncnc2[nH]cnc12)[C@H]1CCOC1 740746707 GFFGSLCXSZTXRF-LURJTMIESA-N 248.246 -0.168 50 20 BBGD Cn1cc(C(=O)NNC(=O)c2ncccn2)cn1 743453651 HSCXKGNCZZYMDM-UHFFFAOYSA-N 246.230 -0.715 50 20 BBGD Cc1[nH]nc(C(=O)NNc2cccnn2)c1O 749242342 REIGCPUCUNSFIF-UHFFFAOYSA-N 234.219 -0.029 50 20 BBGD CN(C)C(=O)NNC(=O)C1(O)CCSCC1 764936005 ZQXKDVGQRJSWFQ-UHFFFAOYSA-N 247.320 -0.453 50 20 BBGD CCNC(=O)N(C)NC(=O)C1(O)CCOCC1 773702572 VVGMFLWJXHQAAT-UHFFFAOYSA-N 245.279 -0.780 50 20 BBGD CN(C)C(=O)NNC(=O)CC(C)(C)O 792107153 PBPSTFVTXISOLR-UHFFFAOYSA-N 203.242 -0.550 50 20 BBGD C[C@@](C#N)(CC(=O)O)C(=O)NNc1cnccn1 819849456 ZMVCCGRUSPTAPG-JTQLQIEISA-N 249.230 -0.076 50 20 BBGD CCN(CCO)NC(=O)c1ccc(=O)n(C)c1 823846478 JMHVFVYETBYZFR-UHFFFAOYSA-N 239.275 -0.656 50 20 BBGD Cc1nnsc1C(=O)NN(C)[C@@H](C)CO 823982763 DDVLXTDPOTYZBW-YFKPBYRVSA-N 230.293 -0.196 50 20 BBGD C[C@@H]1OCC[C@H]1C(=O)NN=Cc1cn(C)nn1 842563290 YFUYNZQHTDYDBN-IONNQARKSA-N 237.263 -0.310 50 20 BBGD C=CCOCC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 843654022 YTARHDKZXSRITL-RKDXNWHRSA-N 242.275 -0.239 50 20 BBGD C/C=C/C(=O)NNC(=O)Cc1cc(C)[nH]n1 869010589 DEGHDNIAILBVKO-ONEGZZNKSA-N 222.248 -0.016 50 20 BBGD CCOC(=O)[C@H](C(=O)NNC(=O)NC)C(C)C 874170576 WMYHFMGLZXNXIU-ZETCQYMHSA-N 245.279 -0.218 50 20 BBGD C[C@H](O)CN(C)NC(=O)[C@@H]1CCCOC1 910165784 NCFILONPYSBORT-DTWKUNHWSA-N 216.281 -0.243 50 20 BBGD CCNC(=O)NNC(=O)C1(F)CCOCC1 1118921796 FFVADDKKTZGSMU-UHFFFAOYSA-N 233.243 -0.145 50 20 BBGD CC[C@@H](C#N)C(=O)NNC(=O)Cc1cc[nH]n1 1261510130 OVBIXOFDVUDRLN-ZETCQYMHSA-N 235.247 -0.351 50 20 BBGD CC(=NNC(=O)[C@H]1CCC(=O)N1)c1cnccn1 1261833290 SESBVLDCYJDCOZ-MRVPVSSYSA-N 247.258 -0.405 50 20 BBGD Cn1ncc(Cl)c1C=NNC(=O)CCO 1320629648 KPRNAQKSCIYZHT-UHFFFAOYSA-N 230.655 -0.094 50 20 BBGD CC(=O)NNC(=O)CCc1ccn(C)n1 1330266024 GJFYZQQTRBWXIX-UHFFFAOYSA-N 210.237 -0.480 50 20 BBGD CN(NC(=O)c1cc(C2CC2)n(C)n1)C(N)=O 1341910937 XVYRQEKRTFTNSL-UHFFFAOYSA-N 237.263 -0.047 50 20 BBGD COCCN(C)NC(=O)[C@@H]1CC[C@@H]1C(=O)O 1599231986 JQGGXDIWWJHHRX-SFYZADRCSA-N 230.264 -0.293 50 20 BBGD O=C(CN1CCCCC1=O)NNc1cnccn1 114882192 NACGTEBXDNLVGY-UHFFFAOYSA-N 249.274 -0.068 50 20 BBGD O=C(CCO)NNC(=O)Nc1ccc(F)nc1 127043603 SSRXXGOLZDJPMZ-UHFFFAOYSA-N 242.210 -0.244 50 20 BBGD C[C@H](Oc1ccccc1)C(=O)NCB(O)O 169879820 ANNBUKRWNUUGDH-QMMMGPOBSA-N 223.037 -0.418 50 20 BBGD CN(NC(=O)[C@H]1CCCCO1)C(N)=O 182660741 XPNNYPOVAVPXTI-ZCFIWIBFSA-N 201.226 -0.403 50 20 BBGD CCO/C=C(\C#N)C(=O)N[C@H]1CC(=O)N(C)C1 490754412 OLLMHWLUIPLOCM-FLOXNTQESA-N 237.259 -0.223 50 20 BBGD COC(=O)NNC(=O)[C@H]1CCC(=O)C1 496367519 LESRJRFJHUXRGS-YFKPBYRVSA-N 200.194 -0.257 50 20 BBGD O=S(=O)(NCB(O)O)C1CCCCC1 585056074 OKHWCNHQBJZTNA-UHFFFAOYSA-N 221.087 -0.750 50 20 BBGD CC(C)CCSCC(=O)NCB(O)O 585062189 RLNOPEQFPCVCGS-UHFFFAOYSA-N 219.115 -0.106 50 20 BBGD CC(C)(C)n1ccc(C(=O)NCB(O)O)n1 585063315 XKJORPLZXVXJSU-UHFFFAOYSA-N 225.057 -0.620 50 20 BBGD COC[C@H](C)CC(=O)N1CC[C@@H](B(O)O)C1 585067987 XNIIWCFFTRRRFJ-RKDXNWHRSA-N 229.085 -0.266 50 20 BBGD CNC(=O)NN=C1CCCS(=O)(=O)C1 731925752 UULUZDNQCITOLG-UHFFFAOYSA-N 219.266 -0.520 50 20 BBGD O=C(NNC(=O)[C@H]1C[C@@H]1C(=O)O)c1ccccn1 739454999 XMKWXSAQOQFSPH-BQBZGAKWSA-N 249.226 -0.437 50 20 BBGD CCCNC(=O)NNC(=O)Cc1cnn(C)c1 751372127 RCNZEPDKAGNHNN-UHFFFAOYSA-N 239.279 -0.297 50 20 BBGD CC[C@@H](CO)C(=O)NNc1ncccn1 779593221 DRWOFJIFJQAPLO-ZETCQYMHSA-N 210.237 -0.062 50 20 BBGD CCCNC(=O)NNC(=O)C1(C)COC1 782605604 WLBONZBCIVAMRO-UHFFFAOYSA-N 215.253 -0.237 50 20 BBGD CCC[C@H](O)C(=O)NN(C)C(=S)NC 822547760 PGAHPURUYHJZOO-LURJTMIESA-N 219.310 -0.385 50 20 BBGD CC(=O)NN=C(C)c1cn(CC(=O)O)nn1 825879237 NHVITLXCVNXQRU-UHFFFAOYSA-N 225.208 -0.777 50 20 BBGD CC(=O)NNC(=O)[C@H](C)Cn1ccc(C)n1 864426877 BYFBRYWWDJKYBD-SSDOTTSWSA-N 224.264 -0.005 50 20 BBGD CC#CCNC(=O)NNC(=O)C1CCOCC1 883541866 UUEJXMBUAKTRET-UHFFFAOYSA-N 239.275 -0.233 50 20 BBGD NC(=O)c1c[nH]c(C(=O)NN=c2cc[nH]cc2)c1 1116514819 RSJVFBLEXPJLRR-UHFFFAOYSA-N 245.242 -0.313 50 20 BBGD COC(=O)C(=O)NN=C(C)C[C@@H]1CCC(=O)N1 1117646745 OWOGYJPTWHNEFD-ZETCQYMHSA-N 241.247 -0.680 50 20 BBGD CC(C)OCC(=O)N1CC[C@H](B(O)O)C1 1118973677 CAOSQVUMXDFNNU-QMMMGPOBSA-N 215.058 -0.513 50 20 BBGD COCCNC(=O)/C(C#N)=C\c1ncnn1C 1120079227 QAZQXMOBTFDUSR-YVMONPNESA-N 235.247 -0.515 50 20 BBGD CC(=O)NNC(=O)CCc1ccccc1C(N)=O 1256287795 YLOYGCANDKXQTM-UHFFFAOYSA-N 249.270 -0.115 50 20 BBGD CCc1cc(C(=O)NNC(=O)NC)nn1C 1319988213 WBLTWDKLKCIXGL-UHFFFAOYSA-N 225.252 -0.444 50 20 BBGD Cc1noc(C2CC2)c1C(=O)NNC(=O)CO 1320720246 PUDNTIJMZTZFAZ-UHFFFAOYSA-N 239.231 -0.386 50 20 BBGD CN1CCO[C@@H](C(=O)NNc2ccn(C)n2)C1 1320948171 BJEHDMUYZHIMME-MRVPVSSYSA-N 239.279 -0.806 50 20 BBGD CC(=O)NNS(=O)(=O)c1cn(C)nc1C 1324053982 QNUWGGFMJRTYJR-UHFFFAOYSA-N 232.265 -0.942 50 20 BBGD Cn1nncc1NNC(=O)c1cccnc1 1324289828 DMAOTDWEHDZKBK-UHFFFAOYSA-N 218.220 -0.033 50 20 BBGD COC(=O)NNC(=O)c1cc(=O)c(OC)co1 1325129572 AUBORNDEFXWJJA-UHFFFAOYSA-N 242.187 -0.351 50 20 BBGD O=C(C[C@@H]1CCCO1)N1CC[C@@H](B(O)O)C1 1335431448 JYKZGNDTZONVIT-BDAKNGLRSA-N 227.069 -0.369 50 20 BBGD CN(NC(=O)CCc1cncnc1)C(N)=O 1343950616 SSJIRUMXKGLCJW-UHFFFAOYSA-N 223.236 -0.549 50 20 BBGD NCc1ncc(C(=O)NNC(=O)C2CC2)s1 1580355085 SZLDQBSXJZYDME-UHFFFAOYSA-N 240.288 -0.227 50 20 BBGD COCCN(C)C(=O)c1cccc(B(O)O)c1 584933062 VLBZTJVZZNBEJG-UHFFFAOYSA-N 237.064 -0.915 50 20 BBGD O=C(NCB(O)O)c1cnn2ccccc12 585060799 YZTMPIBDEDDVNN-UHFFFAOYSA-N 219.009 -0.924 50 20 BBGD CC(C)(C)C(=O)C(=O)N1CC[C@H](B(O)O)C1 585077978 UZTQONPOFHPMMM-ZETCQYMHSA-N 227.069 -0.323 50 20 BBGD O=C(NNC(=O)[C@@H]1COCCO1)C1CCC1 732141454 JTBWVTYDXINTSI-QMMMGPOBSA-N 228.248 -0.651 50 20 BBGD COCCOCC(=O)NNC(=O)c1ccoc1 733143699 NPDSNNPNZQUSNI-UHFFFAOYSA-N 242.231 -0.296 50 20 BBGD COc1ncc(C(=O)NNC(C)=O)cn1 734013350 RMKHBJKJDUGHLG-UHFFFAOYSA-N 210.193 -0.734 50 20 BBGD C#CCNC(=S)NNC(=O)NC1CC1 758207083 AFSBDCGMECSHAO-UHFFFAOYSA-N 212.278 -0.540 50 20 BBGD C[C@H]1C[C@@H](C(=O)NNC(=O)NC2CC2)CO1 784149753 RZACXFBMHRLGNB-NKWVEPMBSA-N 227.264 -0.096 50 20 BBGD O=C(COC(F)F)NNC(=O)C1CC1 794608200 GEZGUHMNELJTNF-UHFFFAOYSA-N 208.164 -0.217 50 20 BBGD C=C[C@@H](O)C(=O)O[C@H](C)C(=O)NNC(=O)CC 814549234 ZPSYHEBZGKMMEJ-RNFRBKRXSA-N 244.247 -0.978 50 20 BBGD C#CCO[C@H](C)C(=O)NNC(=O)NCCC 822800410 XNQFVJVYXNDDGA-MRVPVSSYSA-N 227.264 -0.235 50 20 BBGD CNC(=O)NN=Cc1c(C(=O)O)cnn1C 848402931 KNBANBZZLGAIJZ-UHFFFAOYSA-N 225.208 -0.619 50 20 BBGD Cc1cc(NNC(=O)[C@H]2CCNC2=O)nc(C)n1 857131166 RVASIOWFHTYUEZ-QMMMGPOBSA-N 249.274 -0.327 50 20 BBGD COCCOCC(=O)NNC(=O)CCC1CC1 869909578 BTWUFJZGRFFFSO-UHFFFAOYSA-N 244.291 -0.013 50 20 BBGD C[C@H](C(=O)NNc1ncnc2[nH]cnc12)N(C)C 878901579 QNBQOGPNUUTFHX-ZCFIWIBFSA-N 249.278 -0.254 50 20 BBGD C#CCCCC(=O)NNC(=O)c1cncn1C 887148371 ZAPIOQDKFSSTFK-UHFFFAOYSA-N 234.259 -0.015 50 20 BBGD O=C(NNc1ccncn1)c1cnc[nH]1 1118835420 OVDGRNGZTNUVIE-UHFFFAOYSA-N 204.193 -0.043 50 20 BBGD Cc1cc(CC(=O)NN(C)C(N)=O)no1 1319726496 HITRPWKNXUKJNZ-UHFFFAOYSA-N 212.209 -0.433 50 20 BBGD NNC(=O)[C@@H]1CNC(=O)C[C@H]1C(F)(F)F 1330614103 HYGVMNPKSIIVTC-QWWZWVQMSA-N 225.170 -0.709 50 20 BBGD CC(=O)CCC(=O)NNC(=O)C1CCOCC1 1354182534 SMXOMSBPZJLZSF-UHFFFAOYSA-N 242.275 -0.070 50 20 BBGD CNC(=O)NNC(=O)C[C@@H](N)CC(C)C 1578558675 VHLFJFFGVXXEIG-ZETCQYMHSA-N 216.285 -0.290 50 20 BBGD COC(=O)NNC(=O)[C@H]1C[C@H](N)C1(C)C 1578825111 UDMSOBQSGYPGMX-RITPCOANSA-N 215.253 -0.253 50 20 BBGD NNC(=O)c1cc2c(nc1O)CCC[C@@H]2O 1580358620 MUMCYOARNNAJCK-QMMMGPOBSA-N 223.232 -0.240 50 20 BBGD C[C@H](CO)N(C)NC(=O)[C@H]1CC[C@H]1C(=O)O 1592761509 CVBUPSBETFYSNP-GJMOJQLCSA-N 230.264 -0.559 50 20 BBGD CNC(=O)NNC(=O)[C@H](C(=O)O)C(C)(C)C 1593792980 IBXFVOCEEWHMCC-RXMQYKEDSA-N 231.252 -0.307 50 20 BBGD CC[C@H](C)CCNC(=O)NNC(=O)C(=O)O 1594959479 VPPHUKDDBSJOMG-LURJTMIESA-N 231.252 -0.162 50 20 BBGD CN(C)CC(=O)NNc1ccc(C(=O)O)cn1 1598196324 DNVSMTMWKRPHCP-UHFFFAOYSA-N 238.247 -0.216 50 20 BBGD CCNC(=O)NNC(=O)[C@H]1OCC[C@@H]1C 98095343 WORBVNHTFGSDAZ-BQBZGAKWSA-N 215.253 -0.238 50 20 BBGD in-vitro CO[C@H](C)C(=O)NNC(=O)NCC(F)(F)F 281376849 WZKOBWNWFPUCPX-SCSAIBSYSA-N 243.185 -0.086 50 20 BBGD CC/C=C(\C)C(=O)NNC(=O)C(=O)NC1CC1 298994123 LLOHDRVKBUUNII-QPJJXVBHSA-N 239.275 -0.231 50 20 BBGD CCO/C=C\C(=O)NNC(=O)C(C)(C)O 493300116 HVMQWXQMFWSWPF-WAYWQWQTSA-N 216.237 -0.545 50 20 BBGD COCCN(C)C(=O)c1ccc(B(O)O)cc1 584932515 NSUNVYLQEWQTAB-UHFFFAOYSA-N 237.064 -0.915 50 20 BBGD C[C@@H]1C[C@]1(C)NC(=O)c1cccc(B(O)O)c1 585010337 NZELTUNOJIEAOA-PELKAZGASA-N 233.076 -0.105 50 20 BBGD C=C[C@H](CO)NCc1cccc(B(O)O)c1 585050421 YKFFBRZXAJHULS-LLVKDONJSA-N 221.065 -0.997 50 20 BBGD CC[C@H](C(=O)N1CC[C@@H](B(O)O)C1)N(C)C 585065655 FAOKKCUMWSGQRF-RKDXNWHRSA-N 228.101 -0.598 50 20 BBGD CC(C)(C)C(=O)NNC(=O)C1(C(N)=O)CC1 731609708 VCGOBDLPZXAQQP-UHFFFAOYSA-N 227.264 -0.555 50 20 BBGD CC[C@@H](C(=O)NNC(=O)N(C)C)N(C)C 765332410 XKLWZCFAKVIHQW-ZETCQYMHSA-N 216.285 -0.371 50 20 BBGD CN(CC(=O)NN=c1cc[nH]cc1)C(=O)C1CC1 780757662 VLHPHZGIWDYLSZ-UHFFFAOYSA-N 248.286 -0.185 50 20 BBGD Cn1nncc1NC(=O)NNC(=O)C1CC1 809912080 KYPJKNVAEAJSQE-UHFFFAOYSA-N 224.224 -0.622 50 20 BBGD NC(=O)C(=O)NN=Cc1cccc(O)c1Cl 814696390 FMBWXVJGSHQDPM-UHFFFAOYSA-N 241.634 -0.019 50 20 BBGD COCCCNC(=O)NN=C1COCCOC1 814819140 CFROHGGVNPDZEP-UHFFFAOYSA-N 245.279 -0.275 50 20 BBGD CN(NC(=O)[C@]1(C)CCNC1=O)C1CC1 823789549 JGSBNGLHLYBAGF-SNVBAGLBSA-N 211.265 -0.362 50 20 BBGD CCN1CCO[C@H](C(=O)NN(CC)CCO)C1 823860133 KYAWUJVPQRKTTQ-JTQLQIEISA-N 245.323 -0.948 50 20 BBGD C[C@@H](CO)N(C)NC(=O)c1ccncn1 823935685 VKPPFSUOUBJRGM-ZETCQYMHSA-N 210.237 -0.566 50 20 BBGD Cc1cc(=NNC(=O)[C@H]2CC(=O)N2)cc[nH]1 862515495 UHLOKXVEDHTRMU-MRVPVSSYSA-N 220.232 -0.856 50 20 BBGD C[C@H]1OCCC1=NNC(=O)[C@@H]1CCC(=O)N1 863148217 WPVARKSQBCEQSK-SVRRBLITSA-N 225.248 -0.454 50 20 BBGD CC1(C(=O)NNC(=O)CO)CC(F)(F)C1 879395300 GFKSWYXTAVKODI-UHFFFAOYSA-N 222.191 -0.439 50 20 BBGD NC(=O)NN=Cc1ccc(O)c(O)c1O 916247869 NFZSSLLLIURDAD-UHFFFAOYSA-N 211.177 -0.194 50 20 BBGD O=C(NNC(=O)C1CC1)C(=O)N1CCCC1 1115925336 IVRYBRABWSTOAY-UHFFFAOYSA-N 225.248 -0.834 50 20 BBGD C#CCCCC(=O)NNC(=O)C(=C)CO 1119985205 YAWLWDBMISHBIZ-UHFFFAOYSA-N 210.233 -0.514 50 20 BBGD O=C(CCO)NNC(=O)N=c1cc[nH]cc1 1321135298 HVTLYYHHKWCQFL-UHFFFAOYSA-N 224.220 -0.961 50 20 BBGD C/C=C\C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 1331922354 IFKYOZJRNXHVFQ-XDVGHUOJSA-N 246.288 -0.855 50 20 BBGD Cn1ncc(C(=O)O)c1C=NNC(=O)C(F)F 1332929315 VVKBUPBYVTVCOO-UHFFFAOYSA-N 246.173 -0.167 50 20 BBGD CN(NC(=O)C(=O)Nc1ccccc1)C(N)=O 1341910098 OZIWMRJEUKUWJX-UHFFFAOYSA-N 236.231 -0.333 50 20 BBGD CCNC(=O)N(C)NC(=O)[C@@H]1C[C@@H]1C(=O)OC 271343168 JXTJSNOWMQXTNQ-RQJHMYQMSA-N 243.263 -0.512 50 20 BBGD CN(C)C/C=C/C(=O)NNC(=O)C(C)(C)O 277908328 HPCVWZVLIBCKJI-AATRIKPKSA-N 229.280 -0.978 50 20 BBGD CN(C)C/C=C/C(=O)NNC(=O)[C@@H]1CCCO1 294661526 OAAFISLEUHUXBD-SWTNXBIASA-N 241.291 -0.569 50 20 BBGD CC(C)(C)OC(=O)NNC(=O)[C@H]1COCCO1 490787366 OLLXDWZRTWLQQZ-SSDOTTSWSA-N 246.263 -0.042 50 20 BBGD COC(=O)N(C)NS(=O)(=O)c1ccnn1C 497257636 QAGYCYCUWCCBIH-UHFFFAOYSA-N 248.264 -0.688 50 20 BBGD CN1CCC[C@@H]1CNCc1ccc(B(O)O)cc1 585019289 IJRYBKGYJOCGQU-CYBMUJFWSA-N 248.135 -0.450 50 20 BBGD C[C@]1(CNCc2cccc(B(O)O)c2)CCOC1 585023100 GDBXFIOBPFFTTJ-CYBMUJFWSA-N 249.119 -0.117 50 20 BBGD C[C@H](C(=O)NNC(=O)CO)c1ccco1 753444284 INGLXFUXDQXINV-LURJTMIESA-N 212.205 -0.477 50 20 BBGD O=C(NNC(=O)[C@@H]1CCOC1)c1cn[nH]c1 754345290 YIHIALFEEZMDOK-ZCFIWIBFSA-N 224.220 -0.793 50 20 BBGD COC(=O)CNC(=O)NN=Cc1n[nH]cc1C 814901006 RWHDVNQVXKPIAD-UHFFFAOYSA-N 239.235 -0.476 50 20 BBGD O=C(O)CCNC(=O)NNc1cccnn1 819492287 AEIJSIQHEINNRX-UHFFFAOYSA-N 225.208 -0.423 50 20 BBGD CCNC(=O)N(C)NC(=O)C1(N(C)C)CC1 831858758 UDKUWMDOBTWBPC-UHFFFAOYSA-N 228.296 -0.227 50 20 BBGD C#C[C@H](NC(=O)c1cccc(B(O)O)c1)C(C)C 863881629 UAMZNNJYXMJDIN-LBPRGKRZSA-N 245.087 -0.246 50 20 BBGD CCCNC(=O)NNC(=O)[C@H](CC)NC(C)=O 865023922 SDJSWVZBLVEVBQ-QMMMGPOBSA-N 244.295 -0.359 50 20 BBGD CCN(CCO)NC(=O)CNc1ccccn1 911444271 PXRKQIDQBRDHRS-UHFFFAOYSA-N 238.291 -0.161 50 20 BBGD O=C(NNC(=O)c1ccc[nH]1)N[C@H]1CCOC1 1116722904 SGXVFXRPYJRRIX-ZETCQYMHSA-N 238.247 -0.252 50 20 BBGD CC(=O)NNC(=O)c1c[nH]nc1[N+](=O)[O-] 1321461471 IWRADDUUPXECAA-UHFFFAOYSA-N 213.153 -0.901 50 20 BBGD CCN(CCO)NC(=O)C12CCCN1CCC2 1330260321 CUGCOGBGUAXBLM-UHFFFAOYSA-N 241.335 -0.040 50 20 BBGD O=C(CCCF)NNC(=O)Cc1cc[nH]n1 1330301733 SAQXOTVVOJVHTR-UHFFFAOYSA-N 228.227 -0.151 50 20 BBGD O=C(C[C@@H]1CCC(=O)N1)NNC(=O)C1CCC1 1347454022 CSUSZWSOZCCXRV-QMMMGPOBSA-N 239.275 -0.397 50 20 BBGD CN(C)[C@H]1CCC[C@@H](C(=O)NNC(=O)CN)C1 1578411855 YMWPQFXDBWDGRT-BDAKNGLRSA-N 242.323 -0.787 50 20 BBGD C[C@@H](N)CC(=O)NNC(=O)c1cccn1C 1579401272 SAPKZCIXAPGYCB-SSDOTTSWSA-N 224.264 -0.477 50 20 BBGD N[C@@H]1CCO[C@@H]1C(=O)NNC(=O)C1CCCC1 1580383851 KDVDTCLNIYVTQE-BDAKNGLRSA-N 241.291 -0.560 50 20 BBGD CCC[C@@H](C)C(=O)NNC(=O)C(=O)NC1CC1 69638370 HDCDEEGAGQVRRR-SSDOTTSWSA-N 241.291 -0.151 50 20 BBGD CCNS(=O)(=O)CCNC(=O)CCl 218350955 FSFWVHXIVLIRFM-UHFFFAOYSA-N 228.701 -0.719 50 20 BBGD C=CCOCC(=O)NNC(=O)Cc1cccnc1 729373881 RMTLICDJZYGROW-UHFFFAOYSA-N 249.270 -0.026 50 20 BBGD CCc1cnccc1C(C)=NNC(=O)C(N)=O 765548067 IFMHNDIWMSKYRF-UHFFFAOYSA-N 234.259 -0.031 50 20 BBGD CC(C)CC(=O)NNC(=O)[C@@H]1CCN(C)C1=O 772018957 VUWSAKCPRWEMBF-QMMMGPOBSA-N 241.291 -0.342 50 20 BBGD O=C(CO)NN=Cc1cc(O)ccc1[N+](=O)[O-] 776782185 NHKSGLSIXXPDOQ-UHFFFAOYSA-N 239.187 -0.257 50 20 BBGD CCO/C=C(/C#N)C(=O)NCCn1ccnn1 782828343 QHMVFIJJILSMKU-HJWRWDBZSA-N 235.247 -0.162 50 20 BBGD C[C@@H]1C[C@H](C(=O)NNC(=O)CN(C)C)CO1 784772407 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229.192 -0.779 50 20 BBGD COC(=O)N(C)CCCC(=O)NNC(C)=O 264183370 BDMHOHYFSSQHLL-UHFFFAOYSA-N 231.252 -0.368 50 20 BBGD CCOC(=O)NCCC(=O)NNC(=O)OC 274297858 PHNIIEUCVBMWMK-UHFFFAOYSA-N 233.224 -0.490 50 20 BBGD NC(=O)C(=O)NN=Cc1ccccc1O 308747440 GXYHMKBVYUPOLU-UHFFFAOYSA-N 207.189 -0.672 50 20 BBGD C/C=C\C(=O)NNC(=O)NCCCOC 737819007 OTTBZDYLQZVDAY-HYXAFXHYSA-N 215.253 -0.071 50 20 BBGD CCOCC(=O)NNC(=O)N[C@@H]1CCSC1 745899618 UISCTLNOTMPZCT-SSDOTTSWSA-N 247.320 -0.141 50 20 BBGD CCC/C(C)=C\C(=O)NNC(=O)CO 753451970 KGHHLMISMSMTSP-ALCCZGGFSA-N 200.238 -0.128 50 20 BBGD O=C(NNC(=O)c1ccc[nH]1)c1ccncn1 778319780 RXPOZFVGNIAFAE-UHFFFAOYSA-N 231.215 -0.121 50 20 BBGD CNC(=O)NNC(=O)c1csc(O)n1 1255045660 FZGICDIVYCYPKT-UHFFFAOYSA-N 216.222 -0.578 50 20 BBGD CCCNC(=O)NNC(=O)c1cncn1C 1343688947 KGKJBLGSUQQBKQ-UHFFFAOYSA-N 225.252 -0.226 50 20 BBGD C[C@H](C(=O)O)C(=O)NNC(=O)[C@H]1CCO[C@@H]1C 1588573331 BOQKJVPGFSXCFI-XVMARJQXSA-N 244.247 -0.721 50 20 BBGD C[C@H](C(=O)O)C(=O)NNC(=O)CC(F)(F)F 1609701116 PPIDOVRGNJDMJO-VKHMYHEASA-N 242.153 -0.193 50 20 BBGD CC(C)(O)C(=O)NNC(=O)CCn1cccn1 276173028 BLTOTBGWFMYGGB-UHFFFAOYSA-N 240.263 -0.809 50 20 BBGD C[C@@H]1OC(=O)N[C@@H]1C(=O)NNC(=O)C1CC1 496895137 XXAKSEOZKPSGOG-NJGYIYPDSA-N 227.220 -0.959 50 20 BBGD C[C@H](C#N)CNC(=O)c1cccc(B(O)O)c1 584941178 FWQZUZQTUKRRAG-MRVPVSSYSA-N 232.048 -0.744 50 20 BBGD C=CCOCC(=O)NNC(=O)C(C)C 729300222 OSQXLUMOVQMLJC-UHFFFAOYSA-N 200.238 -0.008 50 20 BBGD C[C@H]1CN(C)CC1=NNC(=O)N1CCOCC1 752165858 ZMCQTSAALORKGF-VIFPVBQESA-N 240.307 -0.034 50 20 BBGD COc1ccc2c(c1)C(=NNC(=O)CO)C(=O)N2 776780753 OEBKILKSBSDJGT-UHFFFAOYSA-N 249.226 -0.540 50 20 BBGD CC[C@H](CO)C(=O)NNc1ncccn1 779593220 DRWOFJIFJQAPLO-SSDOTTSWSA-N 210.237 -0.062 50 20 BBGD O=C(CNC(=O)C1CC1)NN=c1cc[nH]cc1 780760958 GTGTUAAYOHRBHM-UHFFFAOYSA-N 234.259 -0.527 50 20 BBGD CS(=O)(=O)[C@H]1CCCC(=NNC(=O)CO)C1 788439428 SKSPAPQELHNKSY-QMMMGPOBSA-N 248.304 -0.562 50 20 BBGD COCC(=O)NN=C1CNC(=O)c2ccccc21 817325884 ODUNTAINPPPTAI-UHFFFAOYSA-N 247.254 -0.103 50 20 BBGD COC(=O)N(C)NC(=O)c1cc(O)n(C)n1 854409760 LNELZEIQLGHIPN-UHFFFAOYSA-N 228.208 -0.531 50 20 BBGD CNC(=S)N(C)NC(=O)[C@H]1C[C@@]12CCOC2 854922377 HXSMWFXFURFRRW-GMSGAONNSA-N 243.332 -0.120 50 20 BBGD COC/C=C\C(=O)NNC(=O)N1CCOCC1 865046307 IUFILLGRZRIIPY-IHWYPQMZSA-N 243.263 -0.738 50 20 BBGD COC(=O)N(C)NC(=O)N[C@@H]1C[C@@H](C)OC1=O 896373404 RYUBCADWHBKGDD-PHDIDXHHSA-N 245.235 -0.397 50 20 BBGD Cn1cnc(CNCc2ccc(B(O)O)cc2)c1 898042459 RKQTWXJOGNDJED-UHFFFAOYSA-N 245.091 -0.610 50 20 BBGD C[C@H](O)CN(C)NC(=O)c1cnc2cccnn12 910148599 CNDCUYLZUYMETP-QMMMGPOBSA-N 249.274 -0.313 50 20 BBGD C[C@H](O)CN(C)NC(=O)CC1(O)CCC1 910150764 VWNOZWNLYFHOHU-QMMMGPOBSA-N 216.281 -0.365 50 20 BBGD C[C@@H](O)CN(C)NC(=O)c1cccnc1O 910174437 UASPGRYJGAJATK-SSDOTTSWSA-N 225.248 -0.255 50 20 BBGD CN(C)C(=O)NNC(=O)CSCC#N 1115916182 ZNOVXSPFMONHIM-UHFFFAOYSA-N 216.266 -0.454 50 20 BBGD COCc1ncsc1C(=O)NN(C)C(N)=O 1260177051 NMBHXPGHJKFOEZ-UHFFFAOYSA-N 244.276 -0.055 50 20 BBGD CC(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C 1317744371 WERPGUDDSCCARR-QMMMGPOBSA-N 220.294 -0.501 50 20 BBGD CC(=O)NNC(=O)[C@@H](c1cncn1C)N(C)C 1339801675 DUNNLMHMKYGKHU-SECBINFHSA-N 239.279 -0.810 50 20 BBGD CC(C)(C)C(=O)NNC(=O)[C@H]1C[C@H]1CN 1575106373 NFXICRMSDKQVGD-BQBZGAKWSA-N 213.281 -0.225 50 20 BBGD CCNC(=O)NNC(=O)C12CC(C(=O)O)(C1)C2 1596470874 MKUYZVDLNXOXEN-UHFFFAOYSA-N 241.247 -0.408 50 20 BBGD CCCCNC(=O)NNC(=O)[C@@H](C)C(=O)O 1603648454 IKYWZNJZJNDTTC-ZCFIWIBFSA-N 231.252 -0.162 50 20 BBGD CC[C@H](NNC(=O)[C@@H]1CCO[C@H]1C)C(=O)O 1609931851 MPAHBQAFNZKYBG-RNJXMRFFSA-N 230.264 -0.105 50 20 BBGD CC(C)(C)C(=O)NCC(=O)NNC(=O)C1CC1 78471309 GXUQERYZHLVGIO-UHFFFAOYSA-N 241.291 -0.294 50 20 BBGD CC(C)NC(=O)CN(C)S(=O)(=O)CCl 82512448 FVHNQUAIXQJZEF-UHFFFAOYSA-N 242.728 -0.031 50 20 BBGD COc1cc(C)nc(NNC(=O)CN(C)C)n1 175389595 ZOSWNKKFYAWYHT-UHFFFAOYSA-N 239.279 -0.202 50 20 BBGD CS(=O)(=O)C1(CNC(=O)CCl)CC1 393663593 BVHDOTUHIYYNIO-UHFFFAOYSA-N 225.697 -0.081 50 20 BBGD CC(=O)c1ccccc1C(=O)NCB(O)O 585059531 QPVJREBVQHMMRN-UHFFFAOYSA-N 221.021 -0.369 50 20 BBGD CCC(CC)n1ccc(C(=O)NCB(O)O)n1 585062864 OLCSDBDFDFFYPA-UHFFFAOYSA-N 239.084 -0.014 50 20 BBGD Cc1sc(Cl)nc1C(=O)NNC(=O)CO 762899946 MZTWJSSPYLEWKV-UHFFFAOYSA-N 249.679 -0.142 50 20 BBGD O=C1CC[C@@H](C(=O)NN=c2cc[nH]cc2)N1 780753553 IMBFKOGSMNVONH-QMMMGPOBSA-N 220.232 -0.775 50 20 BBGD CCOC1CC(C(=O)NNC(C)=O)C1 805156843 DEDRLWLCBRDIKY-UHFFFAOYSA-N 200.238 -0.031 50 20 BBGD C#Cc1cncc(C(=O)NNC(=O)CN(C)C)c1 806770831 BZCLPMCUQOEHFC-UHFFFAOYSA-N 246.270 -0.615 50 20 BBGD Cn1cnc(C(=O)NNC(=O)C(C)(C)C)n1 810147344 JTEUVCGVHUZFSJ-UHFFFAOYSA-N 225.252 -0.378 50 20 BBGD COC(=O)N(C)NC(=O)CN1CCOC1=O 822838125 QBJOWLLUKPXERS-UHFFFAOYSA-N 231.208 -0.832 50 20 BBGD C[C@@H](CO)N(C)NC(=O)Cc1ncc[nH]1 823923129 PCSRQHSMPLLOJF-ZETCQYMHSA-N 212.253 -0.704 50 20 BBGD COC(=O)N[C@@H](C)C(=O)NN(C)[C@@H](C)CO 823939342 JKQUYPDFJRUHOI-BQBZGAKWSA-N 233.268 -0.925 50 20 BBGD COCCN(C)NC(=O)C1CSC1 868242176 DXJMYXJKFOXTKW-UHFFFAOYSA-N 204.295 -0.041 50 20 BBGD OC[C@H]1C[C@@H](NCc2ccccc2B(O)O)C1 877667378 OJIXSLQOHNDFFY-JGZJWPJOSA-N 235.092 -0.773 50 20 BBGD O=C(NN=C1CN2CCC1CC2)c1ncon1 901285848 MXOOKMZEBHFBAK-UHFFFAOYSA-N 235.247 -0.119 50 20 BBGD C[C@H](O)CN(C)NC(=O)c1cnccc1C#N 910154445 DHPUAUNEYOFYKF-QMMMGPOBSA-N 234.259 -0.089 50 20 BBGD O=C(COCC1CC1)NNC(=O)NC1CC1 920823442 RHTALDUHJYDDSI-UHFFFAOYSA-N 227.264 -0.094 50 20 BBGD Cn1cccc1C(=O)N1CC[C@@H](B(O)O)C1 1118973743 CYRUGLPPVSFGMV-MRVPVSSYSA-N 222.053 -0.286 50 20 BBGD CCNC(=O)NNC(=O)[C@]1(C)CC(C)=NO1 1120681726 PIYIZJRXPSRCPJ-VIFPVBQESA-N 228.252 -0.108 50 20 BBGD COc1nccnc1NNC(=O)c1ncn(C)n1 1261204960 KPVUOSDEYMNBOD-UHFFFAOYSA-N 249.234 -0.629 50 20 BBGD CCN(CCO)NC(=O)C1(F)CCOCC1 1261911189 WOQCKUPKMYDWHD-UHFFFAOYSA-N 234.271 -0.150 50 20 BBGD Cn1nncc1NNC(=O)[C@@H]1C[C@@]12CCOC2 1331130751 HJVQOADSJWBGHI-OIBJUYFYSA-N 237.263 -0.315 50 20 BBGD C[C@@H](O)CN(C)NC(=O)[C@H]1CC[C@@H](C(=O)O)C1 1573637220 ZWXWGCZCMZEWAX-HRDYMLBCSA-N 244.291 -0.169 50 20 BBGD Cc1cc(C(=O)NNC(=O)c2cocn2)[nH]n1 151175619 BGZKQMSFNUAABB-UHFFFAOYSA-N 235.203 -0.219 50 20 BBGD CSC1(C(=O)NNC(=O)CO)CC1 188166416 DSMRPXRXVSUDFD-UHFFFAOYSA-N 204.251 -0.978 50 20 BBGD CCOC(=O)NCC(=O)NNC(=O)CC(C)C 298447779 ZDHHWRQOQWYUIZ-UHFFFAOYSA-N 245.279 -0.074 50 20 BBGD CNc1ccc(C(=O)NNC(C)=O)cn1 309177546 NGHNMFMKIYIZOT-UHFFFAOYSA-N 208.221 -0.096 50 20 BBGD C=CCOCC(=O)NNC(=O)N1CCOCC1 729347766 IBAHGCCTZGWETO-UHFFFAOYSA-N 243.263 -0.738 50 20 BBGD CN(C)C(=O)NNC(=O)CCCNC(=O)O 737350116 SSXFPLHUVDEAFV-UHFFFAOYSA-N 232.240 -0.663 50 20 BBGD C[C@@H]1CC(=NNC(=O)C(=O)NC2CC2)CN1C 761805046 WPOZCBWKOIBWSG-SSDOTTSWSA-N 238.291 -0.539 50 20 BBGD C#Cc1cccc(NC(=O)C(=O)NNC(C)=O)c1 763516134 ZFHPFEPQWXYTNQ-UHFFFAOYSA-N 245.238 -0.226 50 20 BBGD CCNC(=O)N(C)NC(=O)[C@H]1COCCO1 770549214 NJAXJUTYZNRXLQ-SSDOTTSWSA-N 231.252 -0.906 50 20 BBGD CO[C@@H](C(=O)NN(C)C(N)=O)C(C)C 771439469 IQYAGQGKBFPMKH-ZCFIWIBFSA-N 203.242 -0.301 50 20 BBGD CCO[C@H]1CC(=NNC(=O)CO)[C@@H]1SC 807980024 IHQVLGASCGAYFQ-CBAPKCEASA-N 232.305 -0.009 50 20 BBGD CC1=NO[C@@H](C(=O)NN(C)[C@H](C)CO)C1 823918215 STGWIHUIUALGSP-HTQZYQBOSA-N 215.253 -0.505 50 20 BBGD COc1cc(C(=O)NN(C)[C@H](C)CO)nn1C 823935149 NRFZLRRIKGJIDN-SSDOTTSWSA-N 242.279 -0.614 50 20 BBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1cc[nH]n1 843648499 XSDUBACVXAYLTN-BQBZGAKWSA-N 238.247 -0.404 50 20 BBGD CS[C@@H](C)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862450899 CYYLUHVYHDTFSO-WDSKDSINSA-N 245.304 -0.836 50 20 BBGD N[C@@]1(C(=O)NNc2ncccn2)CC1(F)F 870863245 VXDCFYQWTOGRMN-SSDOTTSWSA-N 229.190 -0.344 50 20 BBGD C[C@H](C(=O)NNC(=O)Cc1cc[nH]n1)N(C)C 874437062 DIEYAJNEHKVLON-SSDOTTSWSA-N 239.279 -0.950 50 20 BBGD C[C@@H]1COCC1=NNC(=O)N1CCN(C)CC1 884453393 NWJZOCPYARSPDS-SECBINFHSA-N 240.307 -0.034 50 20 BBGD COC(=O)CC(=O)NNC(=O)C(C)C 905128265 XMIGCGLMJLJCJF-UHFFFAOYSA-N 202.210 -0.647 50 20 BBGD C[C@H](O)CN(C)NC(=O)COCC(F)(F)F 910152006 LODPMBAYJLZOSY-LURJTMIESA-N 244.213 -0.091 50 20 BBGD C[C@@H](O)CN(C)NC(=O)C1CC(=O)C1 910155105 JGYHUYFBPNSVAR-ZCFIWIBFSA-N 200.238 -0.691 50 20 BBGD CCC(=O)NNC(=O)[C@@H](C)Sc1nc[nH]n1 1116085259 ZAPBLHPLEHKYDY-RXMQYKEDSA-N 243.292 -0.157 50 20 BBGD Cn1cccc1C(=O)NNc1nccn(C)c1=O 1116415929 CPRJIMBVOULCGV-UHFFFAOYSA-N 247.258 -0.124 50 20 BBGD O=C1CC[C@H](C(=O)NNc2nc[nH]n2)C1 1118285610 WVLHRMJPGOSFBO-YFKPBYRVSA-N 209.209 -0.383 50 20 BBGD NC(=O)C1(C(=O)NNC(=O)c2cccnc2)CC1 1251746657 OCMMBMBJBQIDRR-UHFFFAOYSA-N 248.242 -0.892 50 20 BBGD COC(=O)C(=O)NN=C(C)c1cnn(C)c1C 1254295449 YYSOZRZOMBLZBR-UHFFFAOYSA-N 238.247 -0.258 50 20 BBGD CCn1ccc(C(=O)NNC(=O)NC)n1 1327155460 SCSJSNASHZHRDR-UHFFFAOYSA-N 211.225 -0.523 50 20 BBGD CCN(CCO)NC(=O)c1ccnnc1C 1330261702 OKUWTSGUZYXNKI-UHFFFAOYSA-N 224.264 -0.256 50 20 BBGD CC[C@H](C(=O)NNc1cnnn1C)[C@@H](C)O 1331393677 QSAAWPVONAMGBB-RQJHMYQMSA-N 227.268 -0.335 50 20 BBGD O=C(Cc1cnc[nH]1)NNC(=O)C1CCC1 1332390530 ISMBGJGLAKWZEL-UHFFFAOYSA-N 222.248 -0.100 50 20 BBGD O=C(NNC(=O)[C@@H]1C[C@@H]1F)C1CCOCC1 1349774889 FEIRSGHDPSPMMM-SFYZADRCSA-N 230.239 -0.082 50 20 BBGD C[C@@H](O)CNS(=O)(=O)CBr 126721280 QWMZKCUDQNSHGV-SCSAIBSYSA-N 232.099 -0.361 50 20 BBGD CC(=NNC(=O)C(N)=O)c1ccccn1 252640190 YQXFDJJVZJKMSO-UHFFFAOYSA-N 206.205 -0.593 50 20 BBGD CC[C@H](C(=O)NNC(C)=O)C(=O)OC 276684087 LPFJLAHBFQXDPS-ZCFIWIBFSA-N 202.210 -0.647 50 20 BBGD CCO[C@@H]1C[C@@H]1NCc1cccc(B(O)O)c1 585038349 AZZJACMHDGTUTJ-NWDGAFQWSA-N 235.092 -0.367 50 20 BBGD O=C(c1ccc(B(O)O)cc1F)N1CCC1 642772323 XKMIWMCMPYRJCF-UHFFFAOYSA-N 223.012 -0.649 50 20 BBGD CN(C)CC(=O)NNC(=O)NCC1CC1 727374297 ZQUASSXOUYLGGG-UHFFFAOYSA-N 214.269 -0.712 50 20 BBGD CC(C)NC(=O)NNC(=O)C(=O)N1CCCC1 748451605 VAEPYDHOXGKCOU-UHFFFAOYSA-N 242.279 -0.652 50 20 BBGD CCC(=O)NNC(=O)Nc1nccn(C)c1=O 757907843 XLWBOCJRBKLHSQ-UHFFFAOYSA-N 239.235 -0.657 50 20 BBGD CC1CC(C#N)(C(=O)NNC(=O)C(C)(C)O)C1 768241704 QSZYVQHUFILJHK-UHFFFAOYSA-N 239.275 -0.155 50 20 BBGD CCNC(=O)N(C)NC(=O)c1cc[nH]n1 770550325 ZANRJLMKWXIKIH-UHFFFAOYSA-N 211.225 -0.284 50 20 BBGD CCC(=O)NNC(=O)[C@@H](C)N1CC[C@@H](CO)C1 772777002 JMVULYPAGLOCTB-RKDXNWHRSA-N 243.307 -0.754 50 20 BBGD CCNC(=O)N(C)NC(=O)[C@@H](C)NC(C)=O 780710002 VSDXJVLNEUZCBT-ZCFIWIBFSA-N 230.268 -0.797 50 20 BBGD CCCNC(=O)NNC(=O)[C@H](O)C(C)C 795625094 JHLJXCQDXCOLSW-SSDOTTSWSA-N 217.269 -0.256 50 20 BBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@@H](C)N(C)C 824017043 YXGHPDHXPAHYOC-VGMNWLOBSA-N 243.307 -0.491 50 20 BBGD CCNC(=O)N(C)NC(=O)[C@@]1(F)CCNC1 831945088 LRCMEGZXFMSMJH-SECBINFHSA-N 232.259 -0.620 50 20 BBGD O=C(NNC(=O)[C@@H]1CCCNC1=O)C1CC1 864444209 XPBIXMVENMROSI-SSDOTTSWSA-N 225.248 -0.930 50 20 BBGD C=CCNC(=S)NNC(=O)/C=C/COC 864456992 ORNKQTLUGSXIBF-SNAWJCMRSA-N 229.305 -0.130 50 20 BBGD CC[C@H](NC(C)=O)C(=O)NNC(=O)N(C)C 865047385 LBCUOWKXVDGHEB-ZETCQYMHSA-N 230.268 -0.797 50 20 BBGD Cc1coc(C(=O)NNC(=O)CN(C)C)c1 878680780 VEXKDVBLMHNOGT-UHFFFAOYSA-N 225.248 -0.089 50 20 BBGD CN(C)CC(=O)NNC(=O)NCC(F)F 879759060 DAEYHIDZYXUGJY-UHFFFAOYSA-N 224.211 -0.857 50 20 BBGD O=C(Cc1cnc[nH]1)NNC(=O)NCC1CC1 900386294 PYXVMBATXICJBK-UHFFFAOYSA-N 237.263 -0.307 50 20 BBGD Cc1nc(N)nc(C)c1C(=O)NN(C)C(N)=O 1254288875 RWFNOAWVJWSALS-UHFFFAOYSA-N 238.251 -0.669 50 20 BBGD Cn1cc(CC(=O)NNc2ncccn2)cn1 1318117321 BUDXWLMSODSYLV-UHFFFAOYSA-N 232.247 -0.104 50 20 BBGD CNC(=O)NNC(=O)c1cncc(OC)n1 1321022466 BLYCDJQOQLUEGM-UHFFFAOYSA-N 225.208 -0.941 50 20 BBGD O=C(CCn1cncn1)NNc1ccncn1 1329045630 VOBNCNNYWXKSLK-UHFFFAOYSA-N 233.235 -0.399 50 20 BBGD C[C@@H]1COCC1=NNC(=O)[C@H]1CCC(=O)N1 1333199515 IXOCRPPCUULLIV-RNFRBKRXSA-N 225.248 -0.597 50 20 BBGD CC(C)(O)C(=O)NNC(=O)c1ccccc1N 1573484695 OTZALHUIFUKMLZ-UHFFFAOYSA-N 237.259 -0.199 50 20 BBGD C[C@@H](CO)N(C)NC(=O)CCC(=O)O 1589073411 MWXYWDLKLXRFJY-LURJTMIESA-N 204.226 -0.805 50 20 BBGD CCOC(=O)NNC(=O)[C@@H]1CC[C@@H]1C(=O)O 1596665034 MXTBGBXBVNXKFM-RITPCOANSA-N 230.220 -0.126 50 20 BBGD N#Cc1ccc(C(=O)O)c(C=NNC(=O)CO)c1 1776052870 ZIHRFQJNDQPXLU-UHFFFAOYSA-N 247.210 -0.301 50 20 BBGD O=C(O)CCC(=O)NNC(=O)c1ccc[nH]1 179075524 AEYAPQNOVNLTRW-UHFFFAOYSA-N 225.204 -0.360 50 20 BBGD CNc1snc(C)c1C(=O)NNC(=O)CO 180956589 CKHMPSQNZGLLTO-UHFFFAOYSA-N 244.276 -0.753 50 20 BBGD CC(=O)NNC(=O)c1ccc(N2CCCC2)nn1 263936114 OZGTUTJTANLMGW-UHFFFAOYSA-N 249.274 -0.142 50 20 BBGD Cn1cnc(C(=O)NNC(=O)CC2CC2)c1 294106770 JOBTTWLBVUYWGG-UHFFFAOYSA-N 222.248 -0.019 50 20 BBGD OB(O)c1ccc(CNCCc2ccncc2)o1 585030447 GBDZUGUXEBKWGY-UHFFFAOYSA-N 246.075 -0.313 50 20 BBGD OB(O)c1ccccc1CN[C@H]1CCSC1 585039209 QCRMUADUTOHSOC-JTQLQIEISA-N 237.133 -0.039 50 20 BBGD CCO[C@@H](C)C(=O)NNC(=O)N1CCOCC1 745986143 KXLGQLVMHDLXJY-QMMMGPOBSA-N 245.279 -0.516 50 20 BBGD CNC(=O)NNC(=O)C[C@@H](C)COC 755231438 SUQUAONIKSDJFK-ZCFIWIBFSA-N 203.242 -0.381 50 20 BBGD CCCNC(=O)NNC(=O)C(C)(C)O 756810981 AOEANUCMNAASFH-UHFFFAOYSA-N 203.242 -0.502 50 20 BBGD CCNC(=O)N(C)NC(=O)C1(C(=O)NC)CC1 780710297 RUNJXGSXYIXKDC-UHFFFAOYSA-N 242.279 -0.795 50 20 BBGD COC(=O)N(C)NC(=O)[C@@H]1CCC(=O)N1C 804123581 CSVJRRVUAUCPKC-LURJTMIESA-N 229.236 -0.663 50 20 BBGD O=C(CO)NNC(=O)Nc1ccn2ccnc2c1 810231318 YCCILILXOBPJGG-UHFFFAOYSA-N 249.230 -0.521 50 20 BBGD C[C@H](CO)N(C)NC(=O)c1cnc2cccnn12 823916937 BLSPZFFDWAWWNS-MRVPVSSYSA-N 249.274 -0.313 50 20 BBGD C[C@@H](CO)N(C)NC(=O)Cc1cnn(C)c1 823966103 ZAWKEXDFPLAZFS-QMMMGPOBSA-N 226.280 -0.694 50 20 BBGD CCC(=O)NNC(=O)[C@@H](C)N1CCC[C@@H](N)C1 843345357 CDPSTUHRTYKIHV-RKDXNWHRSA-N 242.323 -0.645 50 20 BBGD Cn1cc(/C=C(\C#N)C(=O)O[C@H]2CNOC2)cn1 848057715 VFYSUIQQMRHRNM-HDQHCQLZSA-N 248.242 -0.226 50 20 BBGD C#CCO[C@H](C)C(=O)NNC(=O)c1cn[nH]c1 862469555 OMNWJWYMSZHWJY-SSDOTTSWSA-N 236.231 -0.791 50 20 BBGD C#CC1(O)CN(C(=O)/C(C#N)=C\OCC)C1 890523449 ZNWXPPIHRKVEPS-TWGQIWQCSA-N 220.228 -0.363 50 20 BBGD OB(O)[C@@H]1CCN(c2cnc(F)cn2)C1 900967254 YYZQTIZFAIJLJZ-ZCFIWIBFSA-N 211.005 -0.331 50 20 BBGD CC(=O)NCC(=O)N1CC=C(C#N)CC1 1116574424 GVHUIGUJZRRPCH-UHFFFAOYSA-N 207.233 -0.195 50 20 BBGD C[C@@H](C(=O)NNC(=O)C(C)(C)O)n1ccnc1 1320808567 PCLUMBIBFZIPSL-ZETCQYMHSA-N 240.263 -0.638 50 20 BBGD C=CCN(C)C(=O)NNC(=O)[C@H]1CCC(=O)N1 1328718527 NMXPZVPKLGBERN-SSDOTTSWSA-N 240.263 -0.876 50 20 BBGD CCCNC(=O)NNC(=O)c1nnn(C)c1C 1339447283 IXALXSCUKMZZFX-UHFFFAOYSA-N 240.267 -0.522 50 20 BBGD C[C@H](CO)N(C)NC(=O)C(C)(C)C(=O)O 1589072714 AXZVSVPBJLIERA-ZCFIWIBFSA-N 218.253 -0.559 50 20 BBGD C[C@@H]1C[C@@]1(C(=O)O)C(=O)NNC(=O)NC1CC1 1594228250 TYTLNZZJOGSINS-FWOIEVBISA-N 241.247 -0.410 50 20 BBGD O=C(O)C(=O)NN=Cc1cccc2nccn12 1601635848 MJHPJKPOZYENTH-UHFFFAOYSA-N 232.199 -0.131 50 20 BBGD Cn1cc(C(=O)NNC(=O)c2cccnc2)cn1 20900533 RTDXWXBCTPNYIH-UHFFFAOYSA-N 245.242 -0.110 50 20 BBGD CC(=O)NNC(=O)CNC(=O)C(C)(C)C 47836479 BBJRPEFLESZBRL-UHFFFAOYSA-N 215.253 -0.684 50 20 BBGD COCCC(=O)NNC(=O)c1cc(C)n[nH]1 153093601 XUNBHDLUCJWXPU-UHFFFAOYSA-N 226.236 -0.484 50 20 BBGD C#CCN(CC)CC(=O)NNC(=O)C(C)C 491703581 HWRFHIVKWORSDY-UHFFFAOYSA-N 225.292 -0.255 50 20 BBGD COC(=O)N(C)NC(=O)C1(C(N)=O)CCC1 495693041 LFSVHYPMRIQTOR-UHFFFAOYSA-N 229.236 -0.629 50 20 BBGD CC1(C)SC[C@H]1NCc1ccc(B(O)O)o1 585042794 UUBQGQDCPHBHIN-MRVPVSSYSA-N 241.121 -0.057 50 20 BBGD O=C(NCB(O)O)[C@H]1Cc2cc(F)ccc2O1 585060155 NQLXIZWLMHTPFX-SECBINFHSA-N 239.011 -0.743 50 20 BBGD CC(C)C(=O)NNC(=O)COC1CCOCC1 735269163 FHRYONZELVJBOO-UHFFFAOYSA-N 244.291 -0.015 50 20 BBGD CN(CC(=O)NNc1cccnn1)C(=O)O 737393281 KVGXFADAFOBBRU-UHFFFAOYSA-N 225.208 -0.471 50 20 BBGD C[C@H](CO)N(C)NC(=O)c1ccncn1 823935683 VKPPFSUOUBJRGM-SSDOTTSWSA-N 210.237 -0.566 50 20 BBGD C[C@@H](CO)N(C)NC(=O)C[C@@](C)(O)C1CC1 823939334 JEAXWHBGPISWML-GZMMTYOYSA-N 230.308 -0.119 50 20 BBGD CSC(C)(C)C(=O)NNC(=O)c1ncon1 832830531 PYDKVQJGQDTQBH-UHFFFAOYSA-N 244.276 -0.028 50 20 BBGD COCCN(CC(=O)O)S(=O)(=O)CCl 841774522 LUFOOUXPXKIVOJ-UHFFFAOYSA-N 245.684 -0.455 50 20 BBGD CC(C)(C)OC(=O)NNC(=O)[C@@H]1CCNC1=O 854162624 PUGDODLSUBOWRT-ZCFIWIBFSA-N 243.263 -0.322 50 20 BBGD CN(NC(=O)c1ccc(C(N)=O)[nH]1)C1CC1 857293806 XQSLTJCDANFQBP-UHFFFAOYSA-N 222.248 -0.147 50 20 BBGD CC(=NNC(=O)CS(C)(=O)=O)[C@H]1CCCO1 863186831 NMEKWLKKSHYQRY-MRVPVSSYSA-N 248.304 -0.298 50 20 BBGD CCOC(C)(C)C(=O)NN(C)C(N)=O 867127964 YSIDNSKXXAEYFL-UHFFFAOYSA-N 203.242 -0.157 50 20 BBGD CC#CC[C@H](CO)NCc1ccccc1B(O)O 895102928 IOSYAJMYYOOUSV-GFCCVEGCSA-N 247.103 -0.770 50 20 BBGD O=C(CO)NNC(=O)[C@@H]1[C@H]2[C@@H]3CC[C@@H](C3)[C@H]21 897607084 YREYOKDNQNXCRH-CFMBBZTMSA-N 224.260 -0.582 50 20 BBGD Cc1ccc(C(=O)NN(C)C[C@H](C)O)nn1 910146324 ISHLWQUVRDJTRX-QMMMGPOBSA-N 224.264 -0.258 50 20 BBGD COCCN(C)NC(=O)c1cc(OC)ncn1 935910957 UMJGMVVMADSXSC-UHFFFAOYSA-N 240.263 -0.292 50 20 BBGD CC(=O)N[C@H](C)C(=O)NNc1ccncn1 1331425531 MOZKFKLGAFCXML-ZCFIWIBFSA-N 223.236 -0.556 50 20 BBGD COC(=O)/C(C#N)=C/c1cn(CC(=O)O)nn1 1340625494 LBJJFBZSQIUZNJ-QHHAFSJGSA-N 236.187 -0.557 50 20 BBGD CN(NC(=O)[C@@H]1CCn2ccnc2C1)C(N)=O 1348454380 PWAFUISBUGIOQC-SSDOTTSWSA-N 237.263 -0.513 50 20 BBGD CC[C@H](C(=O)O)C(=O)NNC(=O)C(C)(C)O 1594755500 LBZSKNQRPAOMCM-YFKPBYRVSA-N 232.236 -0.985 50 20 BBGD O=S1(=O)CCN(S(=O)(=O)CCl)CC1 82511917 ZQVMLLKDMYRIQJ-UHFFFAOYSA-N 247.725 -0.757 50 20 BBGD CN(C)CCNS(=O)(=O)CBr 127030003 BVHYBYAQGFRPSQ-UHFFFAOYSA-N 245.142 -0.180 50 20 BBGD CCN(CC)CC(=O)NN(C)C(N)=O 179694649 CANFIAAVBNZBCS-UHFFFAOYSA-N 202.258 -0.630 50 20 BBGD C[C@H](C(=O)NNC(=O)C(C)(C)O)n1cccn1 277977695 OBDJNMZVPNEYHC-SSDOTTSWSA-N 240.263 -0.638 50 20 BBGD CC(C)[C@H](O)C(=O)NNc1cccnn1 291686922 NLLJEKRHIGMSRE-QMMMGPOBSA-N 210.237 -0.063 50 20 BBGD O=C(c1ccc(B(O)O)cc1)N1CC(F)C1 584973740 PZLPWSBTWHRPFC-UHFFFAOYSA-N 223.012 -0.840 50 20 BBGD OC[C@@H](CCF)NCc1cccc(B(O)O)c1 585045102 BGJKXPHZCSJWGT-LLVKDONJSA-N 241.071 -0.824 50 20 BBGD O=C(NCB(O)O)[C@H]1C[C@H]1C1CCCC1 585063048 RTNMYBAMSRTDFQ-IUCAKERBSA-N 211.070 -0.059 50 20 BBGD CC(C)N(C)CC(=O)N1CC[C@@H](B(O)O)C1 585069229 JTVSDASHCADINU-SECBINFHSA-N 228.101 -0.598 50 20 BBGD CCNC(=O)CCC(=O)NNC(=O)NCC 732062191 BXPJTHLXGPKJFH-UHFFFAOYSA-N 230.268 -0.747 50 20 BBGD C=CCNC(=S)NNC(=O)[C@H]1C[C@@H]1C(=O)O 736105610 ALJWOPOVHYKUAS-WDSKDSINSA-N 243.288 -0.612 50 20 BBGD CCNC(=O)NNC(=O)CCCNC(=O)O 737123492 CVQXMKDRKOCDBH-UHFFFAOYSA-N 232.240 -0.616 50 20 BBGD NC(=O)C1(C(=O)NNC(=O)C2CCC2)CCC1 747907426 KSHNQLFGMHSJJB-UHFFFAOYSA-N 239.275 -0.411 50 20 BBGD O=C(NN=CC1CC1)N[C@H]1CCS(=O)(=O)C1 755664854 QIGLTTNVBGKLIM-QMMMGPOBSA-N 245.304 -0.132 50 20 BBGD CN(NC(=O)[C@@]1(C)CCOC1)C(N)=O 755704776 ASGVHLHPUYBQBV-QMMMGPOBSA-N 201.226 -0.545 50 20 BBGD C[C@](C#N)(CC(=O)O)C(=O)NNc1ncccn1 819849305 YTYWEPYXPJBBOX-SNVBAGLBSA-N 249.230 -0.076 50 20 BBGD C[C@H](CO)N(C)NC(=O)C(=O)C(C)(C)C 823960265 YUHWBYHFZYSUKO-SSDOTTSWSA-N 216.281 -0.055 50 20 BBGD Cc1ccc(C(=O)NNC(=O)[C@H]2CC(=O)N2)o1 829831663 QLQXGZOVKLPQNR-ZCFIWIBFSA-N 237.215 -0.762 50 20 BBGD CC(=O)NNC(=O)c1cccc(C(N)=O)c1 913466075 HBYOTBUHLOUGEB-UHFFFAOYSA-N 221.216 -0.434 50 20 BBGD COCCNC(=S)NNC(=O)CC1CC1 915598790 IMNAYOWEWLJIDO-UHFFFAOYSA-N 231.321 -0.072 50 20 BBGD Cn1ccnc(NNC(=O)[C@H]2CCCO2)c1=O 1252518825 OELKHJNTEQAFQP-SSDOTTSWSA-N 238.247 -0.598 50 20 BBGD CN(NC(=O)[C@@H]1CCCc2nn[nH]c21)C(N)=O 1261733190 NPZMABPWAVRXMS-RXMQYKEDSA-N 238.251 -0.734 50 20 BBGD CC(=O)N[C@H](C)C(=O)NNc1ncccn1 1317817411 IIQUBAMBZOHBIJ-ZCFIWIBFSA-N 223.236 -0.556 50 20 BBGD COCCCNC(=O)NNC(=O)c1cocn1 1322502026 ASQGEISJIQPOBN-UHFFFAOYSA-N 242.235 -0.345 50 20 BBGD C[C@@H](C(=O)NNc1cccnn1)S(C)(=O)=O 1323745389 WSMJQZHXMNGEKS-LURJTMIESA-N 244.276 -0.647 50 20 BBGD CCN(CCO)NC(=O)CCc1cnc[nH]1 1329805172 BXMRFKDHWRXCPX-UHFFFAOYSA-N 226.280 -0.312 50 20 BBGD O=C1CC[C@@H](C(=O)NNC(=O)C2CC=CC2)N1 1330107978 LDMBVRJAUQGSLD-QMMMGPOBSA-N 237.259 -0.621 50 20 BBGD CC[C@H](N)C(=O)NNc1cc(C)nc(N)n1 1578233151 SPHZAEWWWUJSFR-LURJTMIESA-N 224.268 -0.452 50 20 BBGD CNNC(=O)c1ncccc1NC(C)=O 1578744622 JMHNHTGNBXGJAC-UHFFFAOYSA-N 208.221 -0.096 50 20 BBGD CC(C)[C@@H](C(=O)O)C(=O)NNc1cnnn1C 1588808868 ZPPXQNXSDANPKG-SSDOTTSWSA-N 241.251 -0.385 50 20 BBGD CO[C@@H](C(=O)O)C(=O)NN[C@@H](C)C(F)(F)F 1604433995 IVFSUIVQKMYHEC-IUYQGCFVSA-N 244.169 -0.342 50 20 BBGD CC[C@H](NNC(=O)C1CCOCC1)C(=O)O 1605099141 MXYZNODBGRAISS-QMMMGPOBSA-N 230.264 -0.103 50 20 BBGD N#C/C=C/Cn1nnc(CCC(=O)O)n1 1608178755 BFSIDPORJWDSDB-OWOJBTEDSA-N 207.193 -0.230 50 20 BBGD O=C(NCC1CCCCC1)NNC(=O)C(=O)O 1610692851 XCPYJLRTIFSITG-UHFFFAOYSA-N 243.263 -0.018 50 20 BBGD O=C(O)C(=O)NN=C1C(=O)Nc2ccccc21 1610714702 ZGBPLNQESFALKM-UHFFFAOYSA-N 233.183 -0.456 50 20 BBGD CCCNC(=O)CNS(=O)(=O)CCl 82511912 VOIZWCNTGWJCEA-UHFFFAOYSA-N 228.701 -0.372 50 20 BBGD COC(=O)NNC(=O)[C@H]1CC[C@@H]1C(=O)OC 289059950 LXHAXIJVXCHDFI-WDSKDSINSA-N 230.220 -0.427 50 20 BBGD C[C@@H]1CSCC1=NNC(=O)C(N)=O 379381011 CRKSRVPIROAYKV-SCSAIBSYSA-N 201.251 -0.673 50 20 BBGD COC(=O)NNC(=O)CNC(=O)CC(C)(C)C 495449081 UBGSFKCHJPZAMS-UHFFFAOYSA-N 245.279 -0.074 50 20 BBGD Cc1cnn(CCC(=O)NNC(=O)N(C)C)c1 746015083 WNSFMZWYNYAKHV-UHFFFAOYSA-N 239.279 -0.116 50 20 BBGD O=C(CO)NNC(=O)Nc1cccnc1 755944808 BVYFYDWRMGNDFE-UHFFFAOYSA-N 210.193 -0.773 50 20 BBGD O=C(CN1CCOC1=O)NNc1cnccn1 822062182 ILAXZSCESFFBHC-UHFFFAOYSA-N 237.219 -0.628 50 20 BBGD CCC[C@H](O)C(=O)NNC(=O)[C@H]1CCO[C@@H]1C 823476526 ZVDNNTHXDNQPKW-VGMNWLOBSA-N 244.291 -0.280 50 20 BBGD O=C1CN(S(=O)(=O)CCl)CN1C1CC1 831321083 JNIOLHUTKSUUAX-UHFFFAOYSA-N 238.696 -0.223 50 20 BBGD CC[C@H]1COCC1=NNC(=O)[C@@H]1CCC(=O)N1 863151531 NXJAJMRAEJERCJ-YUMQZZPRSA-N 239.275 -0.206 50 20 BBGD O=C(NOC1CCCC1)c1ccc(B(O)O)cc1 863877827 GYARESFUUPTALR-UHFFFAOYSA-N 249.075 -0.030 50 20 BBGD Cc1noc(C(=O)NNC(=O)C(C)C)n1 865895642 NLSFFQLEQQGORA-UHFFFAOYSA-N 212.209 -0.205 50 20 BBGD CON1CCC(=NNC(=O)c2ncon2)CC1 901287163 PKNPSXHXPHKYMB-UHFFFAOYSA-N 239.235 -0.187 50 20 BBGD O=C(NNC(=O)c1cn[nH]c1)c1ccncc1 916093628 BWJGAVLSGXYVLE-UHFFFAOYSA-N 231.215 -0.121 50 20 BBGD CC(C[C@@H]1CCOC1)=NNC(=O)C(N)=O 1116222320 JHIXEAPABMKUJE-ZETCQYMHSA-N 213.237 -0.610 50 20 BBGD O=C(CO[C@@H]1CCOC1)NNC(=O)NC1CC1 1319368507 PUZAPWLGFYTHEK-MRVPVSSYSA-N 243.263 -0.715 50 20 BBGD CN(C)C(=O)NNC(=O)c1ccc(C#N)[nH]1 1319422196 SJJFGPBDGKDJTF-UHFFFAOYSA-N 221.220 -0.198 50 20 BBGD COC(=O)NNC(=O)c1ccc(C(N)=O)nc1 1320261887 UDQYZZXFFOYNKT-UHFFFAOYSA-N 238.203 -0.819 50 20 BBGD NC(=O)NC1(C(=O)NNC(=O)C2CCC2)CC1 1320447974 KLQVFJVYUDJEGT-UHFFFAOYSA-N 240.263 -0.865 50 20 BBGD O=C(c1cnn2c1CCC2)N1CC[C@H](B(O)O)C1 1329215637 PSUZJKUUEJXUFV-QMMMGPOBSA-N 249.079 -0.482 50 20 BBGD C[C@H](C(=O)O)C(=O)NN(C)[C@@H](C)CO 1588574116 XMHUIEDLVOPARM-WDSKDSINSA-N 204.226 -0.949 50 20 BBGD COCC(=O)NNc1ncccc1C(=O)O 1593953049 MAQVAOGWCGSQDR-UHFFFAOYSA-N 225.204 -0.131 50 20 BBGD CNC(=O)NNC(=O)CCCc1nc(C)no1 48950693 DHBQQRMFSHQAIG-UHFFFAOYSA-N 241.251 -0.339 50 20 BBGD NNC(=O)CNC(=O)N1CCc2ccccc2C1 121174976 OSNMKFWKVVFQJH-UHFFFAOYSA-N 248.286 -0.256 50 20 BBGD COC(=O)NNC(=O)c1ccc2c(c1)nnn2C 158806328 IYTDVKPLPFSGCQ-UHFFFAOYSA-N 249.230 -0.031 50 20 BBGD O=C(CC1CC1)NNC(=O)c1c[nH]nn1 264183391 BLEFXDDYAYEKPH-UHFFFAOYSA-N 209.209 -0.634 50 20 BBGD CC(C)NC(=O)NNC(=O)[C@@H]1CC(=O)N(C)C1 299306519 QRJOHYHELPCSNK-SSDOTTSWSA-N 242.279 -0.797 50 20 BBGD COCC(=O)NNC(=O)Nc1ccnc(C)n1 776493196 GZTYOLXSWBRLBZ-UHFFFAOYSA-N 239.235 -0.416 50 20 BBGD NC(=O)C(=O)NN=C1CCc2cc(O)ccc21 780188210 KKJKOSFRGYCJKB-UHFFFAOYSA-N 233.227 -0.356 50 20 BBGD CC(=NNC(=O)CO)c1cc(C)n(C)n1 799883491 FGRFFWMBLVIYLO-UHFFFAOYSA-N 210.237 -0.439 50 20 BBGD CCN1CCOC[C@H]1C(=O)NN(C)C1CC1 819650115 FTZONLBDTRISTN-JTQLQIEISA-N 227.308 -0.168 50 20 BBGD COC(=O)NNC(=O)Nc1cnsn1 821435227 OYRSPDAXFCZJKS-UHFFFAOYSA-N 217.210 -0.069 50 20 BBGD CNC(=S)N(C)NC(=O)[C@@H]1CCN(C)[C@@H]1C 854928082 WFGRDRQJEDUGMG-HTQZYQBOSA-N 244.364 -0.206 50 20 BBGD CO[C@@H](C)C(C)=NNC(=O)CS(C)(=O)=O 863188121 ZAUOXDLOARYWTH-ZETCQYMHSA-N 236.293 -0.442 50 20 BBGD CCc1nnc(C(=O)NNC(C)=O)s1 899925898 CMQOYYCGSQMEEP-UHFFFAOYSA-N 214.250 -0.119 50 20 BBGD CCn1ncc(/C=C(\C#N)C(=O)NCCOC)n1 901416847 GXQJAEMRRKLKPB-RMKNXTFCSA-N 249.274 -0.032 50 20 BBGD CC[C@@H](NNC(=O)C1CCOCC1)C(=O)OC 905816321 OLBRXLINLWZKPX-SECBINFHSA-N 244.291 -0.015 50 20 BBGD C/C=C/[C@@H](O)C(=O)NN(C)CCOC 908114286 DSYYFOTVHVQCOU-WTSVBCDHSA-N 202.254 -0.467 50 20 BBGD COC(=O)C(=O)NN=Cc1ncc(Cl)n1C 1321668569 LAAGTXNBACZKIS-UHFFFAOYSA-N 244.638 -0.303 50 20 BBGD Cn1ccc(C(=O)NNc2cccnn2)n1 1325253742 FSGOIYZMMJBYKU-UHFFFAOYSA-N 218.220 -0.033 50 20 BBGD COCc1nsc(N2CC[C@H](B(O)O)C2)n1 1329215879 QZEIRPCPNIAIIP-LURJTMIESA-N 243.097 -0.262 50 20 BBGD C[C@@H](CO)N(C)NC(=O)C1(F)CCOCC1 1352230161 NKYMMRMOQKVPOY-QMMMGPOBSA-N 234.271 -0.151 50 20 BBGD CNC(=O)NN=Cc1cc(C(=O)O)no1 1610140859 OHBDITLSNQGGNQ-UHFFFAOYSA-N 212.165 -0.364 50 20 BBGD CC(C)CC(=O)NNC(=O)c1nccnc1N 22279329 IHYVRAQQLUDSJO-UHFFFAOYSA-N 237.263 -0.134 50 20 BBGD O=C(CO)NNC(=O)C[C@H]1C=CCCC1 188586286 VCPUXHUXDSWWDP-QMMMGPOBSA-N 212.249 -0.128 50 20 BBGD O=C(NNC(=O)C1CCC1)c1nc[nH]n1 269556458 PMYPPBSAAKSNHQ-UHFFFAOYSA-N 209.209 -0.634 50 20 BBGD Cc1nnnn1[C@H](Cc1ccccc1)C(=O)NN 270252747 VIRFNTSPCSYWPX-SNVBAGLBSA-N 246.274 -0.245 50 20 BBGD COCCN(C)NC(=O)c1ccn(C)c(=O)c1 288467251 QMSBCOCBIWBCCP-UHFFFAOYSA-N 239.275 -0.392 50 20 BBGD O=C(NN=Cc1ncc[nH]1)c1cnccn1 383929836 WOFFPNQOMXSVMX-UHFFFAOYSA-N 216.204 -0.036 50 20 BBGD O=C(N[C@@H]1CC12CC2)c1ccc(B(O)O)c(F)c1 585000849 ONWBOCJLWCOJGP-SNVBAGLBSA-N 249.050 -0.212 50 20 BBGD Cc1ccncc1C(=O)NNC(=O)CO 753438887 HJRRAJAIXRNERN-UHFFFAOYSA-N 209.205 -0.857 50 20 BBGD COC(=O)NNC(=O)[C@H]1CCCCN1C 765853573 FJXFLMUBPAVAMH-SSDOTTSWSA-N 215.253 -0.142 50 20 BBGD Cn1cc(C(=O)NNC(=O)CC2CC2)nn1 819118156 NJEFVLLORLTCSO-UHFFFAOYSA-N 223.236 -0.624 50 20 BBGD COC[C@H](N)C(=O)NNC(=O)c1ccccc1 844204423 NHMDHMXDCRJRAF-VIFPVBQESA-N 237.259 -0.579 50 20 BBGD O=C(NNC(=O)[C@@H]1CCCCO1)C(F)F 844553797 XNMRBSXIFZRINA-YFKPBYRVSA-N 222.191 -0.032 50 20 BBGD Cc1cocc1C(=O)NNC(=O)CN(C)C 863864384 CNZWXPIAKGMBSC-UHFFFAOYSA-N 225.248 -0.089 50 20 BBGD CCCNC(=O)NNC(=O)C(OC)OC 874213958 LPZZHOYKCCHTBZ-UHFFFAOYSA-N 219.241 -0.654 50 20 BBGD CN(NC(=O)c1cnc(N(C)C)cn1)C(N)=O 1116512075 SWKHYYUYCTULFG-UHFFFAOYSA-N 238.251 -0.802 50 20 BBGD CC(C)(O)CC(=O)NNC(=O)Cc1cc[nH]n1 1324951862 CDVCFIUATVHKFK-UHFFFAOYSA-N 240.263 -0.739 50 20 BBGD C[C@@H](Cc1cnc[nH]1)C(=O)NNc1nc[nH]n1 1329287832 LZEOBIZLUOTJNV-LURJTMIESA-N 235.251 -0.150 50 20 BBGD CS(=O)(=O)CC(=O)NN=CC1CCOCC1 1331723364 SCUCOOJZSQMLMC-UHFFFAOYSA-N 248.304 -0.440 50 20 BBGD C#CCNC(=S)NNC(=O)C1CCOCC1 1334887299 UEKXTBLOXIWCJM-UHFFFAOYSA-N 241.316 -0.459 50 20 BBGD COCc1nocc1C(=O)NN(C)C[C@H](C)O 1339540291 RTCMYSAQCVAWRR-ZETCQYMHSA-N 243.263 -0.222 50 20 BBGD C[C@@](O)(C(=O)NNC(=O)[C@@H]1CCN1)C1CCC1 1576252899 UXLWHUMXRVDBKO-KWQFWETISA-N 241.291 -0.953 50 20 BBGD CCc1cncc(C(=O)NNC(=O)[C@@H]2CCN2)c1 1578284341 GMDMXLKONWNWPI-JTQLQIEISA-N 248.286 -0.233 50 20 BBGD C[C@H]1CC[C@@H](CCC(=O)NNC(=O)CO)O1 182770078 GHIVIVJOYYGYGV-YUMQZZPRSA-N 230.264 -0.526 50 20 BBGD CCO/C=C(\C#N)C(=O)N1CCNC(=O)[C@H]1C 294537228 JFIJOSFHPKKIIB-KGOFQHAKSA-N 237.259 -0.223 50 20 BBGD Cn1ncc(C=NNC(=O)C(F)F)c1N 378863026 UTAYDODIKRCQPC-UHFFFAOYSA-N 217.179 -0.283 50 20 BBGD C[C@H](Cl)C(=O)N1CC[C@H]2C(=O)NC(=O)[C@@H]2C1 409430390 VMYRISMBEINIKO-RRKCRQDMSA-N 244.678 -0.265 50 20 BBGD COC(=O)NNC(=O)Cc1ccn(C)n1 496399800 SLNSDQUOQAFSQR-UHFFFAOYSA-N 212.209 -0.650 50 20 BBGD CC[C@H](CNCc1ccc(B(O)O)o1)OC 585041940 XLPTUTSUBYKYCN-MRVPVSSYSA-N 227.069 -0.526 50 20 BBGD COc1ccc(C(=O)NCB(O)O)cc1F 585057308 BUHZHJIXCMQWLC-UHFFFAOYSA-N 227.000 -0.424 50 20 BBGD CCNC(=O)NN=C(C)CS(C)(=O)=O 732528262 HUMYNGGQDZOXCW-UHFFFAOYSA-N 221.282 -0.274 50 20 BBGD CN(C)C(=O)NNC(=O)[C@H]1C[C@@H]1C(=O)O 737349501 FJFYXEZCNQCSBM-WHFBIAKZSA-N 215.209 -0.991 50 20 BBGD CC[C@@H]1CC[C@H](C(=O)NNC(=O)NC)O1 756922773 QXOLFOZNJPWKCM-RNFRBKRXSA-N 215.253 -0.096 50 20 BBGD C[C@@H]1C[C@@H](C(=O)NNC(=O)C(C)(C)O)CO1 768259763 PFEOSAIQTZXIHQ-RNFRBKRXSA-N 230.264 -0.670 50 20 BBGD CNS(=O)(=O)CC(=O)NNc1ccccn1 777471241 GSPBQRYJVPWLIS-UHFFFAOYSA-N 244.276 -0.926 50 20 BBGD C=CCCOCC(=O)NN(C)C(N)=O 778415597 MLTWKOQAQZJRKO-UHFFFAOYSA-N 201.226 -0.379 50 20 BBGD CC[C@@H](C)[C@H](OC)C(=O)NNC(=O)CN(C)C 795071138 QJEOAQSAVGTWSV-SCZZXKLOSA-N 245.323 -0.244 50 20 BBGD CN(NC(=O)C(C)(C)N1CCOCC1)C(N)=O 801181483 RNCIXQHCMUXVDL-UHFFFAOYSA-N 244.295 -0.861 50 20 BBGD CC(C)C(Cn1cccn1)=NNC(=O)C(N)=O 802703245 ABASWEZAYJJHMD-UHFFFAOYSA-N 237.263 -0.503 50 20 BBGD CCC(=O)N[C@@H](C)C(=O)NNC(=O)CC1CC1 819131342 BJKWNWCNPANUGR-ZETCQYMHSA-N 241.291 -0.151 50 20 BBGD CN1C(=O)CC[C@@H]1C(=O)NNC(=O)CC1CC1 819136157 NWOYMAFJIOIIFI-MRVPVSSYSA-N 239.275 -0.445 50 20 BBGD CC(C)NC(=S)NNC(=O)NCC(=O)O 833502449 SRMGLXCRUHLZKL-UHFFFAOYSA-N 234.281 -0.842 50 20 BBGD CCO[C@@H]1CC(=NNC(N)=O)[C@H]1OC 841603093 FLHSJGOERMARMQ-RNFRBKRXSA-N 201.226 -0.166 50 20 BBGD CC1=NO[C@@H](C(=O)NNC(=O)C2CC2)C1 854179777 DBESRAIGGVUGEI-SSDOTTSWSA-N 211.221 -0.291 50 20 BBGD COC[C@@H](OC)C(=O)NNC(=O)CC1CC1 854666079 MDTICQVNICAULJ-MRVPVSSYSA-N 230.264 -0.405 50 20 BBGD CCOCCCC(=O)NNC(=O)c1cn[nH]c1 862475044 WXVKYOYBIFKGMH-UHFFFAOYSA-N 240.263 -0.013 50 20 BBGD COCCOCC(=O)NN=Cc1ccn(C)n1 872400811 SPENRLOZFCGTGG-UHFFFAOYSA-N 240.263 -0.467 50 20 BBGD CCn1ncc(/C=C(/C#N)C(=O)NCCOC)n1 901416858 GXQJAEMRRKLKPB-TWGQIWQCSA-N 249.274 -0.032 50 20 BBGD C[C@@H](O)CN(C)NC(=O)c1cc[n+]([O-])cc1 1119581264 BALMPSPBZJXHIB-MRVPVSSYSA-N 225.248 -0.723 50 20 BBGD NC(=O)CSCC(=O)NNc1ncccn1 1318542624 ZWDMAYOQHPUBLG-UHFFFAOYSA-N 241.276 -0.862 50 20 BBGD O=C(CCCF)NNC(=O)C(=O)NC1CC1 1328464794 DJNJNXVCEMMSPA-UHFFFAOYSA-N 231.227 -0.838 50 20 BBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@H]1C[C@H]1F 1346863378 RAZVPGBVVXPFLR-DKXJUACHSA-N 230.239 -0.083 50 20 BBGD CNC(=S)N(C)NC(=O)C1(C(=O)O)CCC1 1593797711 YGKPXHJHIUNQRA-UHFFFAOYSA-N 245.304 -0.291 50 20 BBGD O=C(NNC(=O)C1(C(=O)O)CC1)c1cc[nH]n1 1594779443 RFENMGQIWOANHY-UHFFFAOYSA-N 238.203 -0.965 50 20 BBGD C[C@@H](N)C(=O)NNC(=O)c1ccncc1 6491443 JTIWULDPQWQTQL-ZCFIWIBFSA-N 208.221 -0.810 50 20 BBGD CNC(=O)NNC(=O)CCc1ccccn1 49464230 IPQXKGWSYRHGKN-UHFFFAOYSA-N 222.248 -0.026 50 20 BBGD O=C(CO)NNC(=O)c1cccc2ncccc12 182752623 BQEZZBNHZOQOGK-UHFFFAOYSA-N 245.238 -0.012 50 20 BBGD COC(=O)N(C)NC(=O)c1ccc(=O)n(C)c1 495822961 LFRAZOJIZQZBRD-UHFFFAOYSA-N 239.231 -0.272 50 20 BBGD C[C@@H](CC#N)NC(=O)c1cccc(B(O)O)c1 584946062 WPOHSICNHVQEFT-QMMMGPOBSA-N 232.048 -0.602 50 20 BBGD C[C@H](CO)[C@@H](C)NCc1ccc(B(O)O)o1 585025560 XLKYUCMIGXRYNQ-HTQZYQBOSA-N 227.069 -0.934 50 20 BBGD Cc1cc2c(cc1C)O[C@H](C(=O)NCB(O)O)C2 585060408 QNIUBRFAOJAZSA-NSHDSACASA-N 249.075 -0.265 50 20 BBGD CCOc1cncc(N2CC[C@@H](B(O)O)C2)n1 585078480 FAXIKZKFSKLBTP-MRVPVSSYSA-N 237.068 -0.072 50 20 BBGD Cn1nccc1C(=O)NN=c1cc[nH]cc1 780756644 AHWPCHMKOCKBIL-UHFFFAOYSA-N 217.232 -0.006 50 20 BBGD CCNC(=O)N(C)NC(=O)CN1CCOC1=O 821784311 ZVRUBYJJBNTVKT-UHFFFAOYSA-N 244.251 -0.869 50 20 BBGD CCN(CCO)NC(=O)CN(C)C(=O)C1CC1 823859851 BKGKBPMTTHVYSD-UHFFFAOYSA-N 243.307 -0.800 50 20 BBGD Cc1cc(C(=O)NN(C)[C@@H](C)CO)n[nH]1 823970392 GLSRDNJUPWKMTL-ZETCQYMHSA-N 212.253 -0.324 50 20 BBGD COC(OC)C(=O)NNC(=O)C1CCCC1 873990645 AWTCVVFFQZNARR-UHFFFAOYSA-N 230.264 -0.057 50 20 BBGD C[C@H]1COC[C@H]1NCc1cccc(B(O)O)c1 896733441 PMMRYGQEPLIEOZ-JOYOIKCWSA-N 235.092 -0.509 50 20 BBGD CCO[C@H](C)C(=O)NN(C)C[C@H](C)O 910170332 KDNXLOZEMAMFLH-JGVFFNPUSA-N 204.270 -0.245 50 20 BBGD COC(=O)CC(=O)NNC(=O)[C@H]1CCO[C@@H]1C 911502974 OQWPJDGSJMGMSG-RQJHMYQMSA-N 244.247 -0.878 50 20 BBGD CNC(=O)NN=C(C)c1c(C)nc(O)nc1O 920376995 DKDAUGOOBOQLOM-UHFFFAOYSA-N 239.235 -0.151 50 20 BBGD CCO/C=C(\C#N)C(=O)NCCN(C)CCO 924999197 IFCACBWUJALQJQ-MDZDMXLPSA-N 241.291 -0.529 50 20 BBGD NC(=O)c1cc(C(=O)NNc2ncccn2)c[nH]1 1317880496 MLTRZOWCYYBHPA-UHFFFAOYSA-N 246.230 -0.340 50 20 BBGD CC(=O)NNS(=O)(=O)c1cn(C)c(C)n1 1321383531 UFRSMLRPKZRDMD-UHFFFAOYSA-N 232.265 -0.942 50 20 BBGD C[C@@H](C(=O)NNc1nccn(C)c1=O)N(C)C 1330689568 ADDWKSFLMRHDEU-ZETCQYMHSA-N 239.279 -0.827 50 20 BBGD CN1CCN(C(=O)NNC(=O)[C@@H]2C[C@H]2F)CC1 1521559179 LEUNXOYFGGBPNO-HTQZYQBOSA-N 244.270 -0.667 50 20 BBGD Cc1ccccc1C(=O)NNC(=O)NCCN 1574165450 JJGLBAJGFLTABP-UHFFFAOYSA-N 236.275 -0.102 50 20 BBGD NNC(=O)c1cc2c(nc1O)CCC[C@H]2O 1580358619 MUMCYOARNNAJCK-MRVPVSSYSA-N 223.232 -0.240 50 20 BBGD O=C(NNc1nc[nH]n1)c1c[nH]c(C(=O)O)c1 1608484786 RZSDHYJPGYIBGS-UHFFFAOYSA-N 236.191 -0.412 50 20 BBGD COCC(=O)NNC(=O)NCC1CC1 49166985 YBLSPMVHMRSVJJ-UHFFFAOYSA-N 201.226 -0.627 50 20 BBGD CNc1nc(SC)ncc1C(=O)NN 95830168 HENICVNZVUCZGU-UHFFFAOYSA-N 213.266 -0.156 50 20 BBGD Cc1cc(F)ccc1C(=O)NNC(=O)CO 182743181 ZGAQWUFTTQNNHH-UHFFFAOYSA-N 226.207 -0.113 50 20 BBGD COC1CN(S(=O)(=O)CBr)C1 306921278 PUEABOHHZIPMBL-UHFFFAOYSA-N 244.110 -0.001 50 20 BBGD C[C@@H]1CC[C@H](C(=O)Nc2cccc(B(O)O)c2)O1 404961913 CRDPFUSLATWEAL-LDYMZIIASA-N 249.075 -0.128 50 20 BBGD Cc1n[nH]cc1C(=O)NNC(=O)c1cnccn1 731851717 QRZLPDKRHKIIFE-UHFFFAOYSA-N 246.230 -0.417 50 20 BBGD O=C(NNC(=O)C1CCC1)N[C@H]1CCOC1 752255334 JJXPKJIPRJFBTK-QMMMGPOBSA-N 227.264 -0.094 50 20 BBGD C[C@@H]1CCCC[C@H]1OCC(=O)NNC(=O)CO 753439229 WKUXVYIAKKQKBR-RKDXNWHRSA-N 244.291 -0.279 50 20 BBGD CC(=O)NNC(=O)C[C@](C)(O)C1CC1 756756685 RESFTSXVLKKUSI-VIFPVBQESA-N 200.238 -0.295 50 20 BBGD C[C@@H](O)C(=O)NNc1ncc(F)cn1 787170346 XBAYNLZXMIXFOT-SCSAIBSYSA-N 200.173 -0.560 50 20 BBGD CC(C)(O)C(=O)NNC(=O)[C@H]1C[C@H]1C1CC1 787948386 CXKMLKQZUAQCRH-YUMQZZPRSA-N 226.276 -0.049 50 20 BBGD C=CCNC(=S)NNC(=O)c1cn[nH]c1 798305549 URHLZVHACGKASC-UHFFFAOYSA-N 225.277 -0.295 50 20 BBGD C[C@H](C(=O)NNC(=O)[C@H]1CCCCO1)N(C)C 823236806 FTBOMJMJHJKLRH-RKDXNWHRSA-N 243.307 -0.347 50 20 BBGD O=C(NNC(=O)[C@H]1C[C@@H]1C1CC1)c1ncon1 832826225 UAONISOJVISTFJ-RQJHMYQMSA-N 236.231 -0.123 50 20 BBGD Cn1cc(/C=C(/C#N)C(=O)O[C@H]2CNOC2)cn1 848057738 VFYSUIQQMRHRNM-XLDBQWFASA-N 248.242 -0.226 50 20 BBGD CNC(=S)N(C)NC(=O)C[C@@H](C)OC 854925580 IUUAXCFZWCBQQL-ZCFIWIBFSA-N 219.310 -0.121 50 20 BBGD C[C@H](NNC(=O)[C@H]1COCCO1)C(F)(F)F 862307287 JUEVGVCUSFSRRI-NTSWFWBYSA-N 242.197 -0.027 50 20 BBGD CCNC(=O)N(C)NC(=O)[C@H](CC)NC(C)=O 867278876 JUICJSPLEMHECP-QMMMGPOBSA-N 244.295 -0.406 50 20 BBGD COC(OC)C(=O)NNc1cc(C)ncn1 896381441 BDRMZPYINWENJN-UHFFFAOYSA-N 226.236 -0.153 50 20 BBGD CC(C)[C@H](O)C(=O)NNC(=O)C1CCOCC1 923064403 VVWOCWXUPGYGJB-VIFPVBQESA-N 244.291 -0.423 50 20 BBGD COCC(=O)NN=Cc1cc(C)ncn1 1324882430 HWIVHVVSKSRJOU-UHFFFAOYSA-N 208.221 -0.118 50 20 BBGD CC1=NO[C@@](C)(C(=O)NNC(=O)[C@@H]2CCN2)C1 1576561462 CABJMPIPRVBOBG-OIBJUYFYSA-N 240.263 -0.949 50 20 BBGD CC(C)[C@H](C(=O)O)C(=O)NNC(=O)C(C)(C)O 1602970343 QPKFNXGDCPGUMN-LURJTMIESA-N 246.263 -0.739 50 20 BBGD C[C@H](CC(=O)O)CC(=O)NNc1cnnn1C 1604106740 PJMPHCBKGFYDQR-LURJTMIESA-N 241.251 -0.241 50 20 BBGD COc1ccnc(NNC(=O)Cc2ccn[nH]2)n1 121114657 KMEWAUYFLNLGKG-UHFFFAOYSA-N 248.246 -0.106 50 20 BBGD Cc1ccc(C(=O)NN(C)C(N)=O)n1C 182655693 PQIVNOGOKPMLLJ-UHFFFAOYSA-N 210.237 -0.011 50 20 BBGD O=C(O)CNS(=O)(=O)CBr 274941647 RBYSYNVEWRDJPR-UHFFFAOYSA-N 232.055 -0.657 50 20 BBGD CO[C@@H](C)C(=O)NNC(=O)NC(C)C 299308154 RDGNVWPRGJJZSN-LURJTMIESA-N 203.242 -0.240 50 20 BBGD COC(=O)N(C)NS(=O)(=O)C[C@@H](C)OC 496529685 UPAMLIWXQGXOLS-ZCFIWIBFSA-N 240.281 -0.446 50 20 BBGD Cc1nc2ccc(N3CC[C@H](B(O)O)C3)nn2n1 585074262 VMSCYDGFIDZSKP-QMMMGPOBSA-N 247.067 -0.514 50 20 BBGD CCCCNC(=O)NNC(=O)C1(C(N)=O)CC1 731618386 TXGYMWYMMJJMMG-UHFFFAOYSA-N 242.279 -0.618 50 20 BBGD CNC(=O)NNC(=O)[C@@H](NC(=O)O)C(C)C 737543260 OPCFRBIEBIVXQW-YFKPBYRVSA-N 232.240 -0.761 50 20 BBGD CCNC(=O)NNC(=O)[C@H]1CCCCN1C 737817130 WBDHMQALRGQIIV-MRVPVSSYSA-N 228.296 -0.179 50 20 BBGD CCc1ncc(NC(=O)NNC(=O)CO)cn1 757748514 ICVAUNLVAXLPCQ-UHFFFAOYSA-N 239.235 -0.816 50 20 BBGD CC(=O)NNC(=O)c1cc(F)cc2nn[nH]c12 763901141 RPUXCVSMTYVOKZ-UHFFFAOYSA-N 237.194 -0.122 50 20 BBGD CCNC(=O)N(C)NC(=O)[C@@H](CC)CO 779836076 URXODYYWLQFCOU-ZETCQYMHSA-N 217.269 -0.303 50 20 BBGD CC(=O)NNC(=O)c1cn(C(C)(C)C)nn1 790104388 UAOPBTBTJKSUHP-UHFFFAOYSA-N 225.252 -0.186 50 20 BBGD C[C@@H](O)CN(C)NC(=O)COC(F)(F)F 822558932 YZQFKOFQYXKRJZ-RXMQYKEDSA-N 230.186 -0.133 50 20 BBGD CCN1CCO[C@H](C(=O)NN(C)[C@H](C)CO)C1 823951174 ITTOVGHZUWGTGJ-ZJUUUORDSA-N 245.323 -0.949 50 20 BBGD C[C@H]1CC(=NNC(=O)NCC(=O)O)CCN1C 833586293 DYUFAWVCBPCMMQ-ZETCQYMHSA-N 242.279 -0.160 50 20 BBGD COC(=O)N(C)NC(=O)Cc1ncc[nH]1 854410376 YSSLOZUFEXWKFT-UHFFFAOYSA-N 212.209 -0.318 50 20 BBGD CCn1cc(C(=O)NN(C)C(=S)NC)cn1 854923700 FZVPYUDHDUOLKV-UHFFFAOYSA-N 241.320 -0.016 50 20 BBGD CC(C)[C@@H](O)C(=O)NNC(=O)c1cc[nH]n1 855355790 HQVYJSMISLOUTR-SSDOTTSWSA-N 226.236 -0.812 50 20 BBGD CC(C)=CC(=O)NNC(=O)[C@@H]1CCC(=O)N1 862449079 LDGAZCSBTSCIAL-ZETCQYMHSA-N 225.248 -0.621 50 20 BBGD CCO[C@H](CC)C(=O)NNC(=O)c1cn[nH]c1 862475117 ZHKGZGZGRPYIEK-MRVPVSSYSA-N 240.263 -0.014 50 20 BBGD C#CCN1CCC[C@H]1C(=O)NN(C)C[C@@H](C)O 910140057 GOVSPJMRTGJIBF-MNOVXSKESA-N 239.319 -0.572 50 20 BBGD CCN(CCO)NC(=O)CCc1cn[nH]c1 911442933 DKGJXYAWOJWRDT-UHFFFAOYSA-N 226.280 -0.312 50 20 BBGD CO[C@H]1CCCCC1=NNC(=O)C(N)=O 915934810 HUTRYIJGFMTBNS-ZETCQYMHSA-N 213.237 -0.467 50 20 BBGD CC(=O)NNC(=O)CCCN1C(=O)CCC1=O 1326411826 BQRWXPUDHNOJIX-UHFFFAOYSA-N 241.247 -0.917 50 20 BBGD C[C@H](CO)N(C)NC(=O)c1cccc(O)n1 1330878333 AEURMTLIUIGYJT-SSDOTTSWSA-N 225.248 -0.255 50 20 BBGD C=C[C@H](O)C(=O)NNC(=O)C1CCOCC1 1334331827 WWLKMXGAFCTFHI-QMMMGPOBSA-N 228.248 -0.893 50 20 BBGD COC(=O)NNC(=O)[C@@H]1CCn2ccnc2C1 1345018282 WXFTXKYEDCBZRU-SSDOTTSWSA-N 238.247 -0.167 50 20 BBGD Cn1nncc1NNC(=O)C[C@@](C)(O)C1CC1 1351215225 HBXDJKGIMFNOLL-SNVBAGLBSA-N 239.279 -0.191 50 20 BBGD CCN(CCO)NC(=O)[C@@H](N)CCSC 1577725809 PODWQHCHJKYFTI-QMMMGPOBSA-N 235.353 -0.588 50 20 BBGD O=C(O)C(=O)NN=C1CCN2CCC[C@H]12 1608530792 FTWTXKVGVVCWNG-SSDOTTSWSA-N 211.221 -0.589 50 20 BBGD CC(=NNC(=O)C(=O)O)c1ccc(O)nn1 1609553101 FMFLTCLHSHWPFZ-UHFFFAOYSA-N 224.176 -0.893 50 20 BBGD COC(=O)NNC(=O)[C@](C)(C#N)CC(=O)O 1610972527 SFOFWBXOAHNNAM-QMMMGPOBSA-N 229.192 -0.622 50 20 BBGD O=C(CO)NNC(=O)C[C@@H]1C=CCCC1 188586309 VCPUXHUXDSWWDP-MRVPVSSYSA-N 212.249 -0.128 50 20 BBGD Cc1nc(C(=O)NNC(=O)CN(C)C)c[nH]1 265107948 YRDCKINJGNWDLX-UHFFFAOYSA-N 225.252 -0.959 50 20 BBGD COC(=O)c1ccc(C(=O)NNC(C)=O)n1C 292823509 YDKOFUVUJXOLJU-UHFFFAOYSA-N 239.231 -0.407 50 20 BBGD CC[C@H](Cl)C(=O)N1C[C@H]2C(=O)NC(=O)[C@H]2C1 409429776 SVMLRNZPGHIXOW-XVMARJQXSA-N 244.678 -0.265 50 20 BBGD Cc1n[nH]cc1C(=O)NNC(=O)C(C)(C)O 756829579 FWWNTZXGUSMVQC-UHFFFAOYSA-N 226.236 -0.750 50 20 BBGD C[C@@H](OC[C@@H]1CCCO1)C(=O)NN(C)C(N)=O 770436872 ZMHRROUWCNHHSV-SFYZADRCSA-N 245.279 -0.388 50 20 BBGD Cn1nncc1C=NNC(=O)C(F)F 782236226 YHYMGDSBGUSWIW-UHFFFAOYSA-N 203.152 -0.470 50 20 BBGD CN1CCN(C(=O)NN=Cc2ncc[nH]2)CC1 790173138 ARZJNTMSJMAIND-UHFFFAOYSA-N 236.279 -0.299 50 20 BBGD CCO[C@H]1CC(=NNC(=O)CO)[C@H]1SC 807980025 IHQVLGASCGAYFQ-IONNQARKSA-N 232.305 -0.009 50 20 BBGD Cc1cc(C)nc(NNC(=O)[C@H]2CC(=O)N2)n1 820523122 FHPPDEODSJWNNQ-SSDOTTSWSA-N 235.247 -0.575 50 20 BBGD C[C@H](O)C(=O)NNC(=S)N[C@H](C)C1CC1 855099118 RQHGLBGIENAMMQ-RITPCOANSA-N 231.321 -0.339 50 20 BBGD C[C@@H]1C[C@H]1C(=O)NNC(=O)[C@H]1CCC(=O)N1 862448884 IJESKUTZPMGHRU-FSDSQADBSA-N 225.248 -0.932 50 20 BBGD CC(C)[C@](C)(O)C(=O)NNC(=O)c1cn[nH]c1 862470144 ASARRIINBLRFNM-JTQLQIEISA-N 240.263 -0.422 50 20 BBGD CC(C)NC(=O)C(=O)NNC(=O)C1CSC1 864600915 MDWJKSGQDPIDIC-UHFFFAOYSA-N 245.304 -0.979 50 20 BBGD CC(CCN(C)C)=NNC(=O)C(=O)NC1CC1 915956344 VWWGRANUCYIEGZ-UHFFFAOYSA-N 240.307 -0.291 50 20 BBGD CN(C)C(=O)NNC(=O)c1n[nH]c2c1CCC2 1320705348 PBJRACSPGDUOIW-UHFFFAOYSA-N 237.263 -0.186 50 20 BBGD CCNC(=O)NNC(=O)C[C@@H]1CCC(=O)N1 1328730591 VYFOHOZHBLXFNH-LURJTMIESA-N 228.252 -0.995 50 20 BBGD C#CCCCC(=O)NNC(=O)[C@H](C)CN 1574067446 SBBMMPZLESXYTF-MRVPVSSYSA-N 211.265 -0.468 50 20 BBGD Cc1cc(C(=O)N(C)N)ncc1C(N)=O 1574127386 LTAIKDNONDIURU-UHFFFAOYSA-N 208.221 -0.565 50 20 BBGD NCCCC(=O)NNC(=O)COCC(F)F 1580288981 HNGRRLOJKWWEOX-UHFFFAOYSA-N 239.222 -0.846 50 20 BBGD C[C@H](C(=O)O)C(=O)NNC(=O)[C@H]1CCO[C@H]1C 1588573328 BOQKJVPGFSXCFI-ACZMJKKPSA-N 244.247 -0.721 50 20 BBGD COC(=O)NN=C1CCN(C(N)=O)CC1 54278802 NSFMITFRFQJXCU-UHFFFAOYSA-N 214.225 -0.127 50 20 BBGD CN(NC(=O)CNC(=O)CC(C)(C)C)C(N)=O 181072741 RXKFJSZUVHSKNG-UHFFFAOYSA-N 244.295 -0.420 50 20 BBGD CC(C)(C)C(=O)NNC(=O)[C@H]1CCCC(=O)N1 270237926 KJUXPFFZXXPTOA-SSDOTTSWSA-N 241.291 -0.151 50 20 BBGD C[C@H]1C[C@]1(C#N)C(=O)Nc1cccc(B(O)O)c1 584911843 NPMXCONVGQJAIN-QPUJVOFHSA-N 244.059 -0.145 50 20 BBGD O=C(N[C@H]1C=CCC1)c1ccc(B(O)O)cc1 585006905 RCTNUZAVQMMJCC-NSHDSACASA-N 231.060 -0.185 50 20 BBGD Cn1ccc(CNCc2ccc(B(O)O)cc2)n1 585035077 PNDFIQSCZOVNRU-UHFFFAOYSA-N 245.091 -0.610 50 20 BBGD O=C(NNS(=O)(=O)C1CC1)c1ccccn1 727354867 SBGODIFEHXUNTC-UHFFFAOYSA-N 241.272 -0.192 50 20 BBGD C[C@@H]1C[C@@H]1C(=O)NNC(=O)[C@H]1CCOC1 730592337 GPAKUFFTSVHMDY-CSMHCCOUSA-N 212.249 -0.174 50 20 BBGD O=C(NNc1cnccn1)C1=COCCO1 734244685 XSVMIMZQGYIESX-UHFFFAOYSA-N 222.204 -0.192 50 20 BBGD CCCCNC(=O)NNC(=O)CNC(C)=O 755239034 XAIPUROXFHNCIR-UHFFFAOYSA-N 230.268 -0.747 50 20 BBGD CCNC(=O)NNC(=O)[C@@H](CC)N(C)C 765119281 MVDPFIKBEXCRKO-SSDOTTSWSA-N 216.285 -0.323 50 20 BBGD CCCNC(=O)NNC(=O)C(=O)NCC1CC1 788501081 IBSZMLSYLBUIIX-UHFFFAOYSA-N 242.279 -0.747 50 20 BBGD CNC(=O)NNC(=O)[C@@H](C)[C@@H](C)COC 812533529 BUQSAPGEHXERKF-BQBZGAKWSA-N 217.269 -0.135 50 20 BBGD C[C@H](NS(C)(=O)=O)C(=O)NN(C)C1CC1 819646813 GFGBJMYKFILJLO-LURJTMIESA-N 235.309 -0.951 50 20 BBGD C[C@@H]1NCC[C@@H]1C(=O)NNc1ncccn1 826726425 QNVJGUKLZKGUDN-YUMQZZPRSA-N 221.264 -0.082 50 20 BBGD C[C@H](O)CN(C)NC(=O)/C=C\[C@@H]1CCOC1 910144773 MNERTKLKUBIJOO-RWCMCFKCSA-N 228.292 -0.077 50 20 BBGD CC[C@@](C)(O)C(=O)NNC(=O)NC(C)C 930993489 KVAFSTDLFFJEPI-SECBINFHSA-N 217.269 -0.114 50 20 BBGD CC(CCO)=NNC(=O)[C@H]1CCC(=O)N1 1118889589 NNTNDKQQNLMXCR-SSDOTTSWSA-N 213.237 -0.861 50 20 BBGD CC(C)(C(=O)NN)S(=O)(=O)C1CC1 1346029030 SCCATWWVSZJOBK-UHFFFAOYSA-N 206.267 -0.668 50 20 BBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)CC(=O)O 1594646174 WTKKIXIBPTYZCQ-WDSKDSINSA-N 230.220 -0.967 50 20 BBGD CC[C@@H](C(=O)O)C(=O)NNC(=O)C1CC1 1609886930 XBCJWGQJOJZQRC-ZCFIWIBFSA-N 214.221 -0.345 50 20 BBGD C[C@H](NS(=O)(=O)CCCCl)C(N)=O 36881854 AEYNJZUBJJBTDZ-YFKPBYRVSA-N 228.701 -0.592 50 20 BBGD CCO[C@H](C)C(=O)NNC(=O)c1cnn(C)c1 117680606 MMJJRALUGWVFCP-SSDOTTSWSA-N 240.263 -0.394 50 20 BBGD COC(=O)NNC(=O)C[C@H]1CCCO1 185420191 OKKOOTYJZRJZBV-ZCFIWIBFSA-N 202.210 -0.057 50 20 BBGD COc1cccc(C(=O)NCB(O)O)c1 195522184 BYUUZAZLKWDENG-UHFFFAOYSA-N 209.010 -0.563 50 20 BBGD COC(=O)[C@@H]1C[C@@H]1C(=O)NNC(=O)NC1CC1 263911693 VKSJHUZHLBHXCL-NKWVEPMBSA-N 241.247 -0.712 50 20 BBGD CC(=O)NNC(=O)c1ccnc(N2CCCC2)n1 265890167 RIOMACMQWSYNKB-UHFFFAOYSA-N 249.274 -0.142 50 20 BBGD COC(=O)N(C)NC(=O)[C@@H]1C[C@H](C)CC(=O)N1 293555286 FLIRVWCWHUXOKP-BQBZGAKWSA-N 243.263 -0.370 50 20 BBGD COC(=O)N(C)NC(=O)c1cnn(C)c1N 381583399 BDFKLILOANTFAL-UHFFFAOYSA-N 227.224 -0.655 50 20 BBGD COC(=O)NNC(=O)C(C)(C)N1CCOCC1 495774461 MMLSCPUNZTVCEK-UHFFFAOYSA-N 245.279 -0.516 50 20 BBGD OB(O)c1ccc(CNCCC2(O)CCC2)o1 585042195 KSXHSVSSSRBGNF-UHFFFAOYSA-N 239.080 -0.646 50 20 BBGD C[C@@H]1CCN(CC(=O)NNC(=O)C2CC2)C1 733194784 NOJLLHOMNBVZNX-MRVPVSSYSA-N 225.292 -0.114 50 20 BBGD C[C@H](CC(N)=O)C(=O)NNC(=O)C1CCC1 773955256 LYQPNLROMWOPPD-ZCFIWIBFSA-N 227.264 -0.555 50 20 BBGD O=C(NNC(=O)c1cc(O)n[nH]1)c1ccccn1 816808810 ZRZCFTFKHIOGTL-UHFFFAOYSA-N 247.214 -0.415 50 20 BBGD CCc1nn(C)cc1C(=O)NN(CC)CCO 823869233 DQVTXIACBVXSNQ-UHFFFAOYSA-N 240.307 -0.059 50 20 BBGD COC(OC)C(=O)NN=c1cc[nH]c(C)c1 824863876 VFFLQUKCOLWIPO-UHFFFAOYSA-N 225.248 -0.126 50 20 BBGD COc1nccnc1NNC(=O)C1(O)CCC1 840572698 WMDYARAUUUYIDM-UHFFFAOYSA-N 238.247 -0.157 50 20 BBGD CCOCCC(=O)NNC(=O)[C@H]1CCO[C@H]1C 843652366 SFCPBOVHINNPBR-IUCAKERBSA-N 244.291 -0.015 50 20 BBGD CNC(=S)N(C)NC(=O)C[C@H](C)OC 854925579 IUUAXCFZWCBQQL-LURJTMIESA-N 219.310 -0.121 50 20 BBGD C=CCCOCC(=O)NNC(=O)c1cc[nH]n1 855359021 BTTXHFNOIZVYNV-UHFFFAOYSA-N 238.247 -0.237 50 20 BBGD CCO[C@@H](C)C(=O)NNC(=O)c1cc[nH]n1 855359603 YDEFGEGYEZPEOJ-LURJTMIESA-N 226.236 -0.404 50 20 BBGD N#CC1(CC(=O)NNC(=O)CO)CCCCC1 857171280 YDCZVCDOCNFQHH-UHFFFAOYSA-N 239.275 -0.010 50 20 BBGD C[C@H](C#N)C(=O)NNC(=O)c1cn[nH]c1 862471402 CSXQVRLXJYSDPH-RXMQYKEDSA-N 207.193 -0.670 50 20 BBGD COCC(=O)NN=Cc1ccccc1C(N)=O 1320801144 UBWDABUKJHDXJY-UHFFFAOYSA-N 235.243 -0.118 50 20 BBGD COCC#CC(=O)NNC(=O)c1ccc(C)o1 1328229154 YBKSVISWJZBYSV-UHFFFAOYSA-N 236.227 -0.001 50 20 BBGD CN(NC(=O)C1(CO)CCOCC1)C1CC1 1329150979 DEFSAUXVNSITGP-UHFFFAOYSA-N 228.292 -0.099 50 20 BBGD O=C(C[C@@H]1COC(=O)C1)NN=c1cc[nH]cc1 1337467360 OUNUCDHWLAZPOG-QMMMGPOBSA-N 235.243 -0.100 50 20 BBGD CN(NC(=O)CN1C(=O)CCC1=O)C1CC1 1347328149 WBZKJZOOAJJGDT-UHFFFAOYSA-N 225.248 -0.739 50 20 BBGD O=C(NNC(=O)C1(O)CCC1)c1ccc[nH]1 274604345 NTHNNOOJGQPQFQ-UHFFFAOYSA-N 223.232 -0.309 50 20 BBGD CN(C)C1(CNCc2cccc(B(O)O)c2)CC1 585047424 BWVOSXRUGMGNQI-UHFFFAOYSA-N 248.135 -0.450 50 20 BBGD O=C(NCB(O)O)[C@H]1COC[C@H]1c1ccccc1 585063296 WOELZYYJEATOFS-QWRGUYRKSA-N 249.075 -0.455 50 20 BBGD Cn1ccc(C=NNC(=O)C(=O)NC2CC2)c1 749858860 LHGYKAJCBHCCCT-UHFFFAOYSA-N 234.259 -0.246 50 20 BBGD COCCCNC(=O)NN=Cc1cnnn1C 751133005 KTWCYIOMPQFPON-UHFFFAOYSA-N 240.267 -0.515 50 20 BBGD CCC(=O)NNC(=O)[C@H](C)N(C)CC(=O)OC 757073797 RERRMXVDSDNQQF-ZETCQYMHSA-N 245.279 -0.963 50 20 BBGD Cn1cccc1C(=O)NNC(=O)CC#N 771926481 AUFJJECFGNBSMI-UHFFFAOYSA-N 206.205 -0.300 50 20 BBGD CNC(=O)NNC(=O)[C@H](CC(C)C)NC(C)=O 783572902 DOESYYSRYFMQHL-QMMMGPOBSA-N 244.295 -0.503 50 20 BBGD CC(=O)NNC(=O)c1cc(Cn2cccn2)on1 794208851 BQMXXFKUXQNZKA-UHFFFAOYSA-N 249.230 -0.300 50 20 BBGD CC(=O)NNC(=O)c1ccc2nn[nH]c2c1 798314845 CYJIFGKPCPBNAU-UHFFFAOYSA-N 219.204 -0.261 50 20 BBGD O=C(CO)NNC(=O)c1ccnc2ccncc12 807199399 ZGEJKUIVEGZDHL-UHFFFAOYSA-N 246.226 -0.617 50 20 BBGD CCOC(=O)NCC(=O)NN(C)[C@@H](C)CO 823970915 MWSIXYBGVHGBSS-ZETCQYMHSA-N 233.268 -0.924 50 20 BBGD CCCCC[C@H](O)C(=O)NN(C)C(N)=O 828166726 BFEFDNAOKBKEBK-ZETCQYMHSA-N 217.269 -0.031 50 20 BBGD CCON(CC)C(=O)c1cccc(B(O)O)c1 831445283 CZJJVTDDGFHZBQ-UHFFFAOYSA-N 237.064 -0.220 50 20 BBGD C[C@@H](O)C(=O)NN[C@H](C)C(F)(F)F 862317068 UTRFLGJRCKGQMB-QWWZWVQMSA-N 200.160 -0.061 50 20 BBGD Cn1cc(C(=O)NN=Cc2cnnn2C)cn1 1331285823 CKABXUCWYXKEFD-UHFFFAOYSA-N 233.235 -0.688 50 20 BBGD O=C(CCCF)NNC(=O)[C@H]1CCC(=O)N1 1348388852 RDBXESOHMSKEGJ-ZCFIWIBFSA-N 231.227 -0.838 50 20 BBGD CC(C)C(=O)NNC(=O)CN(C)CCC(=O)O 1588799609 UPOGXBVWJJCRSP-UHFFFAOYSA-N 245.279 -0.804 50 20 BBGD C[C@@H](O)C(=O)NNc1ccc(C(=O)O)cn1 1604378013 KNRMSUTUMMVJOP-RXMQYKEDSA-N 225.204 -0.396 50 20 BBGD C[C@H](C(=O)NNC(=O)CN(C)C)C1CC1 175831177 AEUPGSMBLZSYSG-ZETCQYMHSA-N 213.281 -0.259 50 20 BBGD CC(C)(O)C(=O)NNC(=O)/C=C/c1ccc[nH]1 277913908 ICEZETFYXIKMCS-AATRIKPKSA-N 237.259 -0.054 50 20 BBGD OC[C@H](CCF)NCc1ccccc1B(O)O 585046151 RKKWXXGNWJZGAS-JTQLQIEISA-N 241.071 -0.824 50 20 BBGD O=C(Cn1ccc2ccccc21)NCB(O)O 585061964 ACMIUWGFMDVMGW-UHFFFAOYSA-N 232.048 -0.231 50 20 BBGD O=C(NCB(O)O)[C@H]1CCc2cc(F)ccc21 585062901 PHHONJVBPPREOH-JTQLQIEISA-N 237.039 -0.016 50 20 BBGD NC(=O)NNC(=O)Cc1cn2ccccc2n1 700849282 UBBMYVAQNHZJIA-UHFFFAOYSA-N 233.231 -0.424 50 20 BBGD CC(C)(C)CC(=O)NNC(=O)C1(C(N)=O)CC1 732286041 NLOAZNZIGGLPKY-UHFFFAOYSA-N 241.291 -0.165 50 20 BBGD Cc1cc(C)nc(NNC(=O)c2nc[nH]n2)n1 773265711 ORBLGCYYHYTSDW-UHFFFAOYSA-N 233.235 -0.032 50 20 BBGD CCNC(=O)NNC(=O)[C@@H](CC)C(=O)OC 790514374 RGLYXTNNEWFKDX-ZCFIWIBFSA-N 231.252 -0.464 50 20 BBGD Cc1c[nH]nc1C(=O)NN(C)[C@@H](C)CO 823917823 OGYGMPNBFCRBEO-ZETCQYMHSA-N 212.253 -0.324 50 20 BBGD C[C@H](CO)N(C)NC(=O)C1(O)CCSCC1 823938859 BIPHTSZZLVKPAK-MRVPVSSYSA-N 248.348 -0.412 50 20 BBGD C[C@H](O)CN(C)NC(=O)[C@@H]1CCN(C)[C@@H]1C 910145431 BDMIBOCXKPOSDL-IVZWLZJFSA-N 229.324 -0.330 50 20 BBGD C[C@@H](O)CN(C)NC(=O)C1(O)CCC1 910152286 NIHFKUVBIGXOID-SSDOTTSWSA-N 202.254 -0.755 50 20 BBGD O=C(CC1CC1)NNC(=O)c1cccc[n+]1[O-] 1117734602 BFMRNQJWNFEQEX-UHFFFAOYSA-N 235.243 -0.119 50 20 BBGD NC(=O)CSCC(=O)NNC(=O)CC1CC1 1117772583 JLSHJUUWQQIHDC-UHFFFAOYSA-N 245.304 -0.848 50 20 BBGD CNC(=S)N(C)NC(=O)c1cnn(C)c1N 1334441214 SCUJFFMQIDEMCN-UHFFFAOYSA-N 242.308 -0.917 50 20 BBGD C[C@H](O)CN(C)NC(=O)c1cccc(O)n1 1350777928 FGPGHXUELAXXPJ-ZETCQYMHSA-N 225.248 -0.255 50 20 BBGD CC(=O)NNC(=O)c1ccc(C(=O)O)[nH]1 1573534765 DPTCDKSZORICCY-UHFFFAOYSA-N 211.177 -0.506 50 20 BBGD CC[C@@H](C(=O)NNC(=O)CN(C)C)N(C)C 151519624 OMNPHKCGEICQAO-QMMMGPOBSA-N 230.312 -0.964 50 20 BBGD OC[C@H](CC1CC1)NCc1ccc(B(O)O)cc1 585029833 JLOMOQHXSNEBJU-ZDUSSCGKSA-N 249.119 -0.383 50 20 BBGD OB(O)c1ccccc1CN[C@H]1CC[C@H](O)CC1 585032441 USIWMCLIKITOBB-HAQNSBGRSA-N 249.119 -0.241 50 20 BBGD O=C(NNC(=O)[C@H]1C[C@@H]1C(=O)O)NC1CC1 739454858 VTEGWXQIPUPWIR-WDSKDSINSA-N 227.220 -0.800 50 20 BBGD CCn1ccnc1C=NNC(=O)COC 755773572 XYQJQRIBSRFRFS-UHFFFAOYSA-N 210.237 -0.001 50 20 BBGD CC(C)(O)C(=O)NNC(=O)c1cccc(C#N)n1 813529511 BHKGDHFBKNGLON-UHFFFAOYSA-N 248.242 -0.515 50 20 BBGD CCC(=NNC(=O)C(N)=O)c1cccc(N)c1 814696010 WWZXAWDOHCBFEB-UHFFFAOYSA-N 234.259 -0.016 50 20 BBGD C[C@@H](CO)N(C)NC(=O)[C@H](O)C1CC1 823922261 JLEUNLXADOKPIQ-POYBYMJQSA-N 202.254 -0.899 50 20 BBGD O=C1CC[C@H](C(=O)NNC(=O)c2ncccn2)C1 843910651 XSQBKHIOEBCJPB-ZETCQYMHSA-N 248.242 -0.393 50 20 BBGD O=S(=O)(CBr)NC1CNC1 850583070 YRCZAERZLPBUOM-UHFFFAOYSA-N 229.099 -0.770 50 20 BBGD O=C(NNC(=O)[C@@H]1CCCc2nn[nH]c21)C1CC1 854180468 MIGYJWYUZUDRQX-SSDOTTSWSA-N 249.274 -0.218 50 20 BBGD N#CSCCCNC(=O)[C@]1(O)CCOC1 854366563 BVGNOSMGMUUPON-VIFPVBQESA-N 230.289 -0.142 50 20 BBGD Cc1nc(Cl)cc(NNC(=O)CO)n1 857541001 CUNJZLRXZPXLBH-UHFFFAOYSA-N 216.628 -0.126 50 20 BBGD C[C@@H](O)CN(C)NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 910150726 VBMFKIQPDQEWDZ-KYXWUPHJSA-N 228.292 -0.102 50 20 BBGD C[C@H](O)CN(C)NC(=O)CN1CCCCC1=O 910169926 HXJYYRNTDFNUNV-VIFPVBQESA-N 243.307 -0.657 50 20 BBGD COCC1(C(=O)NN(C)C[C@@H](C)O)CC1 1119582052 RBXIXMJSHVSHRZ-MRVPVSSYSA-N 216.281 -0.243 50 20 BBGD CN(NC(=O)C[C@@H]1CCC(=O)N1)C1CC1 1328418196 WQMXZKIZYJVHPD-ZETCQYMHSA-N 211.265 -0.220 50 20 BBGD O=C(CCO)NN=C1CC(=O)N2CCCC[C@H]12 1344573420 BMKQPWYRWRICQD-SECBINFHSA-N 239.275 -0.374 50 20 BBGD CCc1ccc(C(=O)NNC(=O)CON)cc1 1578252718 LTAVFIZONWYFTN-UHFFFAOYSA-N 237.259 -0.100 50 20 BBGD CCOCC(=O)NNC(=O)NCC1CC1 68456206 QQLAQWGWIZKOGO-UHFFFAOYSA-N 215.253 -0.237 50 20 BBGD COCCN(C)NC(=O)c1cnccn1 288586607 RZKYPBLLNAKWFO-UHFFFAOYSA-N 210.237 -0.300 50 20 BBGD C#CCO[C@@H](C)C(=O)NNC(=O)c1cccn1C 294568072 XCQOIDXEHFMDEG-VIFPVBQESA-N 249.270 -0.176 50 20 BBGD CO[C@@H]1CN(C(=O)[C@H](C)Cl)C[C@@H]1O 409435679 WDRLIINWLUWPMO-LYFYHCNISA-N 207.657 -0.168 50 20 BBGD CC(C)(C)OC(=O)NNC(=S)NCC(N)=O 491037377 AWAAGMGHGKFGFQ-UHFFFAOYSA-N 248.308 -0.625 50 20 BBGD CC[C@@H]1COC[C@@H]1NCc1ccc(B(O)O)cc1 585047170 JIGSMGSFEYXVSY-YPMHNXCESA-N 249.119 -0.119 50 20 BBGD O=C(NCB(O)O)c1ccc(F)cc1F 585057760 ZGOTWNBGCXOFJN-UHFFFAOYSA-N 214.964 -0.293 50 20 BBGD O=C(NCB(O)O)c1cc(F)cc2nccnc12 585060760 XYZRIPBLVBJIGX-UHFFFAOYSA-N 249.010 -0.489 50 20 BBGD CC(=O)NNC(=O)C1=C(C)C(C)(C)OC1=O 748558508 ZQNZCQBZFMOWCJ-UHFFFAOYSA-N 226.232 -0.194 50 20 BBGD CCNC(=O)NNC(=O)[C@H](O)C(C)(C)C 764881428 RZZLBHRBAQPIAJ-LURJTMIESA-N 217.269 -0.256 50 20 BBGD CO[C@H](C)CCC(=O)NNC(=O)C(C)(C)O 768243858 GWVOHDDGTRTDHD-SSDOTTSWSA-N 232.280 -0.280 50 20 BBGD CC(=O)NNC(=O)[C@@]1(C)CCCOC1 781418388 YIWWPKPNHYCDKB-VIFPVBQESA-N 200.238 -0.030 50 20 BBGD CC[C@@](C)(O)C(=O)NN(C)C[C@@H](C)O 822559157 ZZUDDWCMLLHGSL-VXNVDRBHSA-N 204.270 -0.509 50 20 BBGD CCN(CCO)NC(=O)Cn1cc(C)cn1 823852286 BXYPQUHISFJVHB-UHFFFAOYSA-N 226.280 -0.463 50 20 BBGD CCN(CCO)NC(=O)c1[nH]cnc1C 823893679 SAJHFGOBEXYOMU-UHFFFAOYSA-N 212.253 -0.323 50 20 BBGD C=CCn1cc(C(=O)NN(C)[C@H](C)CO)nn1 823913640 YQMWZPUTRFGTGR-MRVPVSSYSA-N 239.279 -0.579 50 20 BBGD CCNC(=O)NNC(=O)[C@H]1CCC(=O)C1 843774926 KMFLTEGNRXAIOB-LURJTMIESA-N 213.237 -0.294 50 20 BBGD CCCN(C)CC(=O)NN(C)C(=S)NC 854923636 CRFNONBRMYAEFK-UHFFFAOYSA-N 232.353 -0.205 50 20 BBGD O=C(COCC1CC1)NNC(=O)c1cc[nH]n1 855359431 RFCTWPCZHFIHON-UHFFFAOYSA-N 238.247 -0.403 50 20 BBGD C[C@@H](O)CN(C)NC(=O)[C@@H]1CCCCO1 910160413 HXYMWTIMEPEUHQ-BDAKNGLRSA-N 216.281 -0.101 50 20 BBGD CCOC(=O)[C@@H]1C[C@H]1C(=O)NNC(=O)C1CC1 929231616 HZNYPKRAGLMKDZ-HTQZYQBOSA-N 240.259 -0.257 50 20 BBGD O=C(c1cnc2n1CCC2)N1CC[C@H](B(O)O)C1 1118974619 IGZSBWUCYDWICV-QMMMGPOBSA-N 249.079 -0.482 50 20 BBGD Cc1nn[nH]c1C(=O)NN(C)C[C@@H](C)O 1119645138 ORYVKXFMMYNULY-RXMQYKEDSA-N 213.241 -0.929 50 20 BBGD CCCNC(=O)NNC(=O)CCc1nc[nH]n1 1252630762 ZVRXOMYBSCZQEY-UHFFFAOYSA-N 240.267 -0.522 50 20 BBGD NC(=O)NC1(C(=O)NN=c2cc[nH]cc2)CC1 1320066347 TXPWFUQYWLKMHT-UHFFFAOYSA-N 235.247 -0.853 50 20 BBGD N#CCCC[C@@H](N)C(=O)NNc1ncccn1 1326045437 BQXSVWGIPCQWRO-MRVPVSSYSA-N 234.263 -0.059 50 20 BBGD O=C(C[C@H]1CC(=O)N1)NNC(=O)c1ccc[nH]1 1327736002 UDBRLMQOSFDNTN-ZCFIWIBFSA-N 236.231 -0.946 50 20 BBGD Cn1ccc(NNC(=O)[C@@H]2CC[C@H]2C(N)=O)n1 1328987706 HUPOQAAKGPGTGK-RNFRBKRXSA-N 237.263 -0.625 50 20 BBGD CC(=NNC(=O)[C@H]1CCC(=O)N1)c1ccncn1 1331822340 UFOMVOIIVNINEW-SECBINFHSA-N 247.258 -0.405 50 20 BBGD CCN(CCO)NC(=O)CCc1cnn[nH]1 1332367522 QUXPCSXKSOSEIN-UHFFFAOYSA-N 227.268 -0.917 50 20 BBGD Cc1nc[nH]c1C=NNC(=O)C(=O)NC1CC1 1341143769 DWGQBMRJXVOLIG-UHFFFAOYSA-N 235.247 -0.553 50 20 BBGD C[C@H](NS(=O)(=O)CCl)C(=O)O 1594240805 COFDVSXGWCLEFN-VKHMYHEASA-N 201.631 -0.425 50 20 BBGD CCC[C@@H](CC)NC(=O)NNC(=O)C(=O)O 1609956512 WWDQETAOLXPHLE-ZCFIWIBFSA-N 231.252 -0.020 50 20 BBGD C[C@]12CCC(=O)N1[C@@H](C(=O)NN)CS2 37387973 ZLBFFXYUVZFMHZ-XRGYYRRGSA-N 215.278 -0.570 50 20 BBGD C[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)CCl 40537798 NQOGNULZRHMKEX-RITPCOANSA-N 225.697 -0.226 50 20 BBGD Cc1cc(NNC(=O)c2nccnc2N)ncn1 734253683 UECGGBKKGCHQAV-UHFFFAOYSA-N 245.246 -0.086 50 20 BBGD CSCCNC(=S)NNC(=O)N(C)C 752752341 YNCJORLTHSCTMO-UHFFFAOYSA-N 236.366 0.000 50 20 BBGD CC(=O)NNS(=O)(=O)N1CC[C@@H](C)C1 775247916 IJYBWGFSTZMKKZ-ZCFIWIBFSA-N 221.282 -0.786 50 20 BBGD CCN(CCO)NC(=O)[C@H](NC(C)=O)C(C)C 823833419 BHPLZUHCIRHVLK-SNVBAGLBSA-N 245.323 -0.508 50 20 BBGD CCN(CCO)NC(=O)C1CCC(O)CC1 823879534 OPCRAGIZQLYHGZ-UHFFFAOYSA-N 230.308 -0.117 50 20 BBGD CC(C)C(=O)NNC(=O)CN1CCSCC1 827420457 PRCHVBDKXPWYOP-UHFFFAOYSA-N 245.348 -0.161 50 20 BBGD CO[C@H](C)CC(=O)NNC(=O)[C@@H]1CCO[C@H]1C 843646672 JZGDMNQEXRDCPS-HRDYMLBCSA-N 244.291 -0.016 50 20 BBGD CNC(=O)NNC(=O)CC1(COC)CC1 843773515 CMLALELVBOQKND-UHFFFAOYSA-N 215.253 -0.237 50 20 BBGD COC(=O)N(C)NC(=O)[C@H](O)C1CC1 854410259 WAOGYBKPRNOUDY-ZCFIWIBFSA-N 202.210 -0.513 50 20 BBGD CN1CCC[C@H]1C(=O)NNC(=O)c1ccnnc1 898000444 UHGVVKQHNNPQNI-VIFPVBQESA-N 249.274 -0.668 50 20 BBGD CNC(=O)NNC(=O)[C@@H]1CC[C@H]2CCCCN12 900352263 AKKYSLZXMUSNBZ-BDAKNGLRSA-N 240.307 -0.037 50 20 BBGD Cc1nnc(C(=O)NN(C)C[C@H](C)O)s1 910143495 AFLWMYHPGCAXKG-YFKPBYRVSA-N 230.293 -0.196 50 20 BBGD COC(=O)NCCCC(=O)NN(C)C[C@H](C)O 910167084 HDTIQGZBLPARTK-QMMMGPOBSA-N 247.295 -0.534 50 20 BBGD COCC(=O)NN=Cc1cnc2n1CCOC2 1119620275 MKDOAOYICAQTIQ-UHFFFAOYSA-N 238.247 -0.490 50 20 BBGD COC(=O)C(=O)NN=C1CN(C)C[C@H]1C 1323613497 DJSYBGPUCHZKJV-ZCFIWIBFSA-N 213.237 -0.787 50 20 BBGD NC(=O)[C@H]1CC[C@@H]1C(=O)NNc1cccnn1 1327097721 QQIMDIKTQBEXGL-BQBZGAKWSA-N 235.247 -0.569 50 20 BBGD CNC(=S)N(C)NC(=O)[C@]1(C)CCOC1 1329335295 ZJJBLGOKXLWDOF-SECBINFHSA-N 231.321 -0.120 50 20 BBGD CN(NC(=O)c1c[nH]c(-c2nn[nH]n2)c1)C1CC1 1591154412 OMJHRWTYUWXQBX-UHFFFAOYSA-N 247.262 -0.066 50 20 BBGD Cc1cnn(-c2csc(B(O)O)c2)c1 238495366 ROYVWSMBXXNHET-UHFFFAOYSA-N 208.051 -0.078 50 20 BBGD C=CCNC(=O)CNC(=O)/C(C#N)=C/OCC 271947366 AOSDIYQEKJCIQQ-CMDGGOBGSA-N 237.259 -0.151 50 20 BBGD COC(=O)NNC(=O)[C@@H]1C[C@@H]1C(=O)OC 274324083 YDKIYKBGSDNTBP-UHNVWZDZSA-N 216.193 -0.817 50 20 BBGD CCO[C@H](C)C(=O)NNC(=O)C(=O)NC(C)C 298471984 TXTWMCNHRUBHFT-SSDOTTSWSA-N 245.279 -0.917 50 20 BBGD O=C(NCC1CCC1)c1ccc(B(O)O)cc1 584929246 PRHNTPZFQAFQGL-UHFFFAOYSA-N 233.076 -0.104 50 20 BBGD CC[C@@](C)(C#N)NC(=O)c1cccc(B(O)O)c1 584936748 MQBMDBQOIBMAJE-LBPRGKRZSA-N 246.075 -0.212 50 20 BBGD OB(O)c1ccc(CNC[C@H]2CCOC2)cc1 585018130 QOCYORAHFKCZJQ-LLVKDONJSA-N 235.092 -0.508 50 20 BBGD CO[C@@H](C)CNCc1ccc(B(O)O)cc1 585036170 BLFYNBDAXBACPM-VIFPVBQESA-N 223.081 -0.509 50 20 BBGD OCCCCNCc1ccccc1B(O)O 585038889 MMCYDYAIHBDJMN-UHFFFAOYSA-N 223.081 -0.772 50 20 BBGD OB(O)c1ccccc1CNC[C@@H](O)C(F)F 585039983 XYSMJTIFUILFBL-SECBINFHSA-N 245.034 -0.918 50 20 BBGD CC(=O)NNC(=O)CCCC(=O)NC(C)C 729509994 NBVDXSXVMDMRGD-UHFFFAOYSA-N 229.280 -0.151 50 20 BBGD CC(C)SCC(=O)NNC(=O)CN(C)C 733359666 XFFWPRVOCWYRBE-UHFFFAOYSA-N 233.337 -0.163 50 20 BBGD COc1ncc(C(=O)NNC(=O)C2CC2)cn1 733947699 FJHXBMFOWISDGV-UHFFFAOYSA-N 236.231 -0.344 50 20 BBGD CCCNC(=O)NNC(=O)c1nonc1C 746171537 VVXPTEIZJVEWMY-UHFFFAOYSA-N 227.224 -0.268 50 20 BBGD O=C(CO)NNC(=O)C(F)=C1CCCC1 753438873 SQAGANUVKCLAOO-UHFFFAOYSA-N 216.212 -0.076 50 20 BBGD Cc1cc(C)n(CCC(=O)NNC(=O)CO)n1 753443264 WZTKEKPQZVUPOX-UHFFFAOYSA-N 240.263 -0.970 50 20 BBGD COCC(C)(C)C=NNC(=O)C(N)=O 754896052 XSSLBESOBKGFPX-UHFFFAOYSA-N 201.226 -0.754 50 20 BBGD Cc1nc(O)ccc1C(=O)NN(C)C(N)=O 778412223 LYQMOHKDKWKZJS-UHFFFAOYSA-N 224.220 -0.249 50 20 BBGD CC[C@@](C)(C#N)C(=O)NNC(=O)CN(C)C 806773001 ZKRDHJXSPQGBEF-JTQLQIEISA-N 226.280 -0.365 50 20 BBGD CCNC(=O)N(C)NC(=O)CN1CCCC1 821782998 ABWBFGQJDJUFOP-UHFFFAOYSA-N 228.296 -0.225 50 20 BBGD CC[C@](C)(O)C(=O)NN(C)[C@H](C)CO 823384720 SEKRMMILLDREAP-APPZFPTMSA-N 204.270 -0.509 50 20 BBGD C[C@H]1CN(C)CC1=NNC(=O)NCC(=O)O 833627774 ULNJPQGJXQKNSQ-LURJTMIESA-N 228.252 -0.692 50 20 BBGD CO[C@H](C)C(=O)NNC(=O)[C@H]1CCO[C@@H]1C 843648006 VPXWLMUSGXCMQS-PRJMDXOYSA-N 230.264 -0.406 50 20 BBGD O=C(CO)NNCC(F)(F)C(F)(F)F 863097793 UMTKCVJRDOLFCZ-UHFFFAOYSA-N 222.113 -0.203 50 20 BBGD O=C(NNC(=O)N1CCOCC1)c1ccon1 1324781884 KSZVPJYMXNRMAW-UHFFFAOYSA-N 240.219 -0.639 50 20 BBGD CCNC(=O)NNC(=O)c1cnc(C)nc1N 1327813462 HASMCXXRBLXFSP-UHFFFAOYSA-N 238.251 -0.669 50 20 BBGD CCOC(=O)NNC(=O)[C@@H](CC(C)C)C(N)=O 497067659 WIQOHHPVLUAGDK-ZETCQYMHSA-N 245.279 -0.089 50 20 BBGD O=C(NCC1CC1)c1cccc(B(O)O)c1 584927869 GJUDKBPDHSIVQL-UHFFFAOYSA-N 219.049 -0.494 50 20 BBGD C[C@@H]1CCCN1C(=O)c1ccc(B(O)O)cc1 584954378 KOYUYHBVESOIJJ-SECBINFHSA-N 233.076 -0.009 50 20 BBGD CCCCn1cc(C(=O)NCB(O)O)c(C)n1 585062890 PGDSGGGLDWKOBJ-UHFFFAOYSA-N 239.084 -0.267 50 20 BBGD CS[C@@H](C)C(=O)N1CC[C@H](B(O)O)C1 585074924 DNUSCVAYWISLAI-BQBZGAKWSA-N 217.099 -0.187 50 20 BBGD C[C@@H](C#N)CN(C)CC(=O)NNC(=O)C1CC1 733194475 UFKKBPWWKRHFMM-QMMMGPOBSA-N 238.291 -0.365 50 20 BBGD O=C(NNC(=O)[C@H]1C[C@H]1C(=O)O)C1CCC1 739453357 GFSSSKLLRONSPL-NKWVEPMBSA-N 226.232 -0.345 50 20 BBGD C=C[C@@](C)(O)C(=O)NN(CC)CCO 823889442 WUFGECFERIWSIL-SECBINFHSA-N 202.254 -0.731 50 20 BBGD CCn1nccc1C(=O)NN(C)[C@@H](C)CO 823936090 ZPIRUYFXBPDXFM-QMMMGPOBSA-N 226.280 -0.140 50 20 BBGD CC(=NNC(=O)NCC(=O)O)[C@@H]1CCCO1 833384441 JGIFXLRHJLOVAR-ZETCQYMHSA-N 229.236 -0.075 50 20 BBGD CC(C)(C)OC(=O)NNC(=O)Cn1cncn1 849202236 CDDKUDNPNPXRRU-UHFFFAOYSA-N 241.251 -0.166 50 20 BBGD C#C[C@@H](CC)NC(=O)NNC(=O)COCC 854073138 QYHIVOSBDLTWNE-QMMMGPOBSA-N 227.264 -0.235 50 20 BBGD CNC(=S)N(C)NC(=O)COCC1CC1 854925620 IOJRDXLVBWUFBL-UHFFFAOYSA-N 231.321 -0.120 50 20 BBGD COC(OC)C(=O)NNC(=O)NCC1CC1 874194445 POQIPCNIYPXMAU-UHFFFAOYSA-N 231.252 -0.654 50 20 BBGD CC(C)(C)C(=O)NNC(=O)N[C@@H]1COC(=O)C1 923729285 LRTMZSRSGIQXIP-LURJTMIESA-N 243.263 -0.322 50 20 BBGD Cc1nc(NC(=O)NNC(=O)CN)oc1C 1261782049 SMATZJCFAJQEBQ-UHFFFAOYSA-N 227.224 -0.597 50 20 BBGD Cn1cc(C(=O)NNC=C(C#N)C#N)cn1 1321911193 WFSXPIVRSQVNKO-UHFFFAOYSA-N 216.204 -0.414 50 20 BBGD Cn1nncc1C=NNC(=O)Cc1ccncc1 1323598311 QBCPODDVZBSOHC-UHFFFAOYSA-N 244.258 -0.097 50 20 BBGD CO[C@@H](C(=O)O)C(=O)NNc1ncc(F)cn1 1593911211 HZWVQTDVIYGZBG-RXMQYKEDSA-N 244.182 -0.842 50 20 BBGD O=C(O)CNC(=O)NN=C1CCN2CCC[C@H]12 1602071214 HOEJZTFKFJZRAH-MRVPVSSYSA-N 240.263 -0.406 50 20 BBGD C[C@H](NS(=O)(=O)CCCCCl)C(N)=O 155068394 AMRYYLWWRHKLJG-LURJTMIESA-N 242.728 -0.201 50 20 BBGD CN(NC(=O)[C@H]1CCSC1)C(N)=O 306500942 PSYUJGJAWMTAET-YFKPBYRVSA-N 203.267 -0.219 50 20 BBGD C#CCN(CC#CC)CC(=O)NNC(=O)C(C)C 491537990 VTVIZZLOFLHHAO-UHFFFAOYSA-N 249.314 -0.252 50 20 BBGD CCO[C@H]1CC(=NNC(=O)C(N)=O)C1(C)C 736429217 QLBWBRYOOGLWQK-ZETCQYMHSA-N 227.264 -0.221 50 20 BBGD CC1(C(=O)NNC(=O)C(=O)N2CCCC2)CC1 760471213 SRGMRZJNEZPVDQ-UHFFFAOYSA-N 239.275 -0.444 50 20 BBGD CC[C@@H](CO)C(=O)NNC(=O)c1c[nH]nc1C 779769381 PQBKAMVODIJADC-ZETCQYMHSA-N 240.263 -0.502 50 20 BBGD C#CCOCCNC(=O)NNC(=O)C1CCC1 784550829 SZYOSAUZAIUMBH-UHFFFAOYSA-N 239.275 -0.233 50 20 BBGD NC(=O)CCCC(=O)NNC(=O)CC1CC1 819140941 RURRDSXYFLFJKF-UHFFFAOYSA-N 227.264 -0.411 50 20 BBGD C=C[C@](C)(O)C(=O)NNc1nccc(OC)n1 821480583 GGEMGWJZYXSUKX-JTQLQIEISA-N 238.247 -0.135 50 20 BBGD O=C(NNC(=O)[C@H]1CC1(F)F)c1ncon1 832826278 VIDNUPLDYQPQGY-GSVOUGTGSA-N 232.146 -0.514 50 20 BBGD NNC(=O)C[C@@H](NC(N)=O)c1ccccc1 838139524 NKBJXWPNKQSLGJ-MRVPVSSYSA-N 222.248 -0.224 50 20 BBGD CC(C)NC(=O)C(=O)NN=C1CO[C@H](C)C1 842524748 GVMSCNIUCKGYSG-SSDOTTSWSA-N 227.264 -0.208 50 20 BBGD O=C(NNC(=O)[C@H]1CCCCO1)C(F)F 844553796 XNMRBSXIFZRINA-RXMQYKEDSA-N 222.191 -0.032 50 20 BBGD CCNC(=O)NN=C(C)Cn1cncn1 853295368 QWENMHQFDWISAI-UHFFFAOYSA-N 210.241 -0.027 50 20 BBGD C[C@@H](NNC(=O)c1cnn[nH]1)C(F)(F)F 862310363 VZTDWOBOHXOGTH-GSVOUGTGSA-N 223.158 -0.010 50 20 BBGD O=C(NNC(=O)C1(O)CCCC1)c1cn[nH]c1 862471874 BKRNHNMWTHIAOX-UHFFFAOYSA-N 238.247 -0.524 50 20 BBGD O=C1C[C@H](NS(=O)(=O)CCl)CO1 867287359 HRNNLZWVSMJFFE-BYPYZUCNSA-N 213.642 -0.582 50 20 BBGD CN1CC[C@H](NCc2cccc(B(O)O)c2)C1 877019713 PMZYZUQKRZTMNI-LBPRGKRZSA-N 234.108 -0.840 50 20 BBGD O=C(CCCF)NNC(=O)c1cccnn1 882056477 WGJCOHQZVUZZAF-UHFFFAOYSA-N 226.211 -0.013 50 20 BBGD C[C@H](O)CN(C)NC(=O)[C@H]1C[C@H]2CC[C@H]1O2 910168623 VBMFKIQPDQEWDZ-QCLAVDOMSA-N 228.292 -0.102 50 20 BBGD NC(=O)C(=O)NN=Cc1cc(F)c(O)c(F)c1 1319011735 GPELYRXKOOCUCN-UHFFFAOYSA-N 243.169 -0.394 50 20 BBGD Cc1c(C(=O)NNC(=O)CO)ccc2cncn12 1320076702 HDIYHOKRYBKWMZ-UHFFFAOYSA-N 248.242 -0.604 50 20 BBGD Cc1cc(=O)c(C(=O)NNC(=O)C2CC2)c[nH]1 1323508336 MMNVSFMHNNIJEZ-UHFFFAOYSA-N 235.243 -0.146 50 20 BBGD O=C(NNc1ccccn1)C(=O)NC1CC1 1324980432 YFRCAMJOLYHKGX-UHFFFAOYSA-N 220.232 -0.197 50 20 BBGD Cc1cc(C=NNC(=O)C(=O)NC(C)C)ncn1 1327778384 RYCKBTCUFPRBNG-UHFFFAOYSA-N 249.274 -0.240 50 20 BBGD Cn1nc(C(=O)NNc2cccnn2)cc1O 1329618411 UVAUDWUZFXWGQN-UHFFFAOYSA-N 234.219 -0.327 50 20 BBGD O=C(CCl)NCCCN1C(=O)CNC1=O 1341509509 FGTTZLBUPXRSAA-UHFFFAOYSA-N 233.655 -0.717 50 20 BBGD CO[C@@H]1CCC[C@H]1C(=O)NN(C)C(N)=O 1346948783 WQXQDVJCELMOBI-RNFRBKRXSA-N 215.253 -0.157 50 20 BBGD CCCn1nccc1C=NNC(=O)C(=O)O 1596122030 PXEAIWYVBPILIN-UHFFFAOYSA-N 224.220 -0.172 50 20 BBGD Cc1ncccc1C(=O)NNC(=O)CN(C)C 172160364 HWWAHFQUDGBDHR-UHFFFAOYSA-N 236.275 -0.287 50 20 BBGD O=C(CO)NNC(=O)c1ccsc1 180953080 QBMLITWQXACLRN-UHFFFAOYSA-N 200.219 -0.499 50 20 BBGD CC(=O)CCC(=O)NNC(=O)N1CCOCC1 299382328 JMAKMNUZSILZEH-UHFFFAOYSA-N 243.263 -0.571 50 20 BBGD C[C@@H]1C[C@@H](O)CN1S(=O)(=O)CCl 307626947 LCBPQSJCQTZDAE-PHDIDXHHSA-N 213.686 -0.032 50 20 BBGD C[C@H](C#N)CNCc1cccc(B(O)O)c1 585034299 HQNQDHUWDMVOJY-SECBINFHSA-N 218.065 -0.384 50 20 BBGD C[C@H](Oc1cccc(F)c1)C(=O)NCB(O)O 585060177 AQZKXTIMROBJOO-ZETCQYMHSA-N 241.027 -0.279 50 20 BBGD O=C(NCB(O)O)c1nc2cccnc2s1 585061963 ACCFVSNLOKHMBS-UHFFFAOYSA-N 237.049 -0.567 50 20 BBGD O=C(NCB(O)O)c1cnnn1-c1ccccc1 585062922 PTJMMDJGZKZTAZ-UHFFFAOYSA-N 246.035 -0.991 50 20 BBGD Cn1cccc1C(=O)NNC(=O)c1cnc[nH]1 728204055 RLNVFAJPRZNWER-UHFFFAOYSA-N 233.231 -0.177 50 20 BBGD C#CCN1CCC[C@H]1C(=O)NNC(=O)NCC 732062847 JBRVCPPFBYVJPO-VIFPVBQESA-N 238.291 -0.566 50 20 BBGD C=CCOCC(=O)NNC(=O)c1cc(C)[nH]n1 768276018 HWWRXUSJZSNGHX-UHFFFAOYSA-N 238.247 -0.318 50 20 BBGD CN(NC(=O)CCOC[C@@H]1CCCO1)C(N)=O 770438128 KQGAIMLNBCOULK-QMMMGPOBSA-N 245.279 -0.386 50 20 BBGD COC(=O)CNC(=O)NN=C(C)[C@@H](C)OC 779816208 ICCWOXJKGNDAOS-SSDOTTSWSA-N 231.252 -0.131 50 20 BBGD CCS(=O)(=O)CC(=O)NN(C)CCOC 808072131 WSXZYOOYLSPUHH-UHFFFAOYSA-N 238.309 -0.970 50 20 BBGD C[C@H](CO)N(C)NC(=O)CCn1ccnc1 823959797 PQHMWGWOBATOKL-SECBINFHSA-N 226.280 -0.383 50 20 BBGD CCn1cc(S(=O)(=O)NNC(=O)O)nc1C 833683483 RBDZMNCKDCKDBY-UHFFFAOYSA-N 248.264 -0.328 50 20 BBGD CC(=NNC(=O)C(N)=O)c1ccc2c(c1)CCO2 839385676 YTMKWCXJOQHQAZ-UHFFFAOYSA-N 247.254 -0.053 50 20 BBGD CO[C@H](CC(C)C)C(=O)NNC(=O)CO 842248547 YOVAZMYHGNOTQR-SSDOTTSWSA-N 218.253 -0.813 50 20 BBGD CCOCCC(=O)NNC(=O)c1cc[nH]n1 855358446 KABOKQBTKZVEBW-UHFFFAOYSA-N 226.236 -0.403 50 20 BBGD CC(C)C(=O)NNC(=O)[C@@H](NC=O)C(C)C 858143572 NGXYZNAKPJYVIG-QMMMGPOBSA-N 229.280 -0.440 50 20 BBGD CCOCC(=O)NNC(=O)Cc1cc(C)[nH]n1 869012682 AKNCXESEIRPQRT-UHFFFAOYSA-N 240.263 -0.555 50 20 BBGD O=C(Cc1cccnc1)NNC(=O)[C@H]1C[C@@H](O)C1 874371724 WYVCEBUHDQPYMR-AOOOYVTPSA-N 249.270 -0.458 50 20 BBGD CCn1nccc1C(=O)NN(C)C[C@H](C)O 910160407 NQRMGJCFXJKBSK-QMMMGPOBSA-N 226.280 -0.140 50 20 BBGD CCNC(=O)NNC(=O)Cc1nnc(C)s1 1261675295 XTFWGFOVWQHENU-UHFFFAOYSA-N 243.292 -0.261 50 20 BBGD O=C1CC[C@H](C(=O)NN=CC[C@H]2CCOC2)N1 1329192127 SOXBONFNUBRPSQ-DTWKUNHWSA-N 239.275 -0.206 50 20 BBGD CCOC(=O)Cn1ccc(NC(=O)NN)n1 1346505014 MABWKGHILYZCRU-UHFFFAOYSA-N 227.224 -0.559 50 20 BBGD CC(=NNC(=O)C(=O)O)[C@@H]1CCCOC1 1589011349 VNMLKZYMJLLOAI-SSDOTTSWSA-N 214.221 -0.010 50 20 BBGD NC(=O)c1ccccc1C=NNC(=O)C(=O)O 1601169024 PACWOSUQAVGCRX-UHFFFAOYSA-N 235.199 -0.680 50 20 BBGD O=C(NNC(=O)c1cnccn1)c1cccnc1 22896600 OLHNAPLTGGBRQZ-UHFFFAOYSA-N 243.226 -0.054 50 20 BBGD Cc1noc(CNS(=O)(=O)CCl)n1 82512914 FRQMLBDAEVVJRY-UHFFFAOYSA-N 225.657 -0.006 50 20 BBGD CN(C)CC(=O)NNC(=O)c1ccc(C#N)[nH]1 131868649 MZEZYRPZMMQADU-UHFFFAOYSA-N 235.247 -0.791 50 20 BBGD CCSCCC=NNC(=O)C(N)=O 393591538 RMFAYZFMGGFKND-UHFFFAOYSA-N 203.267 -0.283 50 20 BBGD C[C@@H]1CN(C)C[C@@H]1NCc1ccc(B(O)O)cc1 585031502 WGUZSURKDIIEAD-MFKMUULPSA-N 248.135 -0.594 50 20 BBGD CCc1ccccc1S(=O)(=O)NCB(O)O 585059157 AWYRNXPJDGPBTO-UHFFFAOYSA-N 243.093 -0.461 50 20 BBGD CCNS(=O)(=O)c1ccc(C(=O)NN)cc1 706388513 GECZVTUEVASZCT-UHFFFAOYSA-N 243.288 -0.412 50 20 BBGD CNC(=O)NNC(=O)COC[C@@H]1CCCO1 733255130 HDSFZARZNYWFKW-ZETCQYMHSA-N 231.252 -0.858 50 20 BBGD O=C(NNC(=O)[C@@H]1CCCO1)c1ncccn1 742244434 HBLNOXHMIORJPN-ZETCQYMHSA-N 236.231 -0.583 50 20 BBGD C=CCOCC(=O)NNc1ncnc2[nH]cnc12 743468275 ARZQMZLYZYNAIN-UHFFFAOYSA-N 248.246 -0.001 50 20 BBGD CC(C)C(=O)NNC(=O)COC[C@H]1CCCO1 746385346 ALXXPIMZUIGMQV-SECBINFHSA-N 244.291 -0.015 50 20 BBGD C[C@@H]1OCCC1=NNC(=O)C(=O)NC1CC1 747755286 OGMMTOGLNYCWBC-LURJTMIESA-N 225.248 -0.454 50 20 BBGD O=C(NNC(=O)c1cnc[nH]1)c1cccnc1 750865499 JNEZOHZPSACTBH-UHFFFAOYSA-N 231.215 -0.121 50 20 BBGD CO[C@@H](C)CC(=O)NNC(=O)C(C)(C)O 787946643 YUJLLJKSBFOKPA-LURJTMIESA-N 218.253 -0.670 50 20 BBGD Cc1cccnc1NNC(=O)CCNC(N)=O 791214925 JTEVGMXJLWZMIY-UHFFFAOYSA-N 237.263 -0.108 50 20 BBGD CO[C@@H](C(=O)NNC(=O)N(C)C)C1CC1 792104545 HLFIAQBWWLSDSI-SSDOTTSWSA-N 215.253 -0.286 50 20 BBGD COCC[C@@H]1CCCC1=NNC(=O)C(N)=O 799864756 KBJDQCQQBXYQSQ-ZETCQYMHSA-N 227.264 -0.220 50 20 BBGD CC(=NNC(=O)N(C)C)c1cnnn1C 814821531 ZTUBGYQXHCPROR-UHFFFAOYSA-N 210.241 -0.190 50 20 BBGD C[C@@H](CO)N(C)NC(=O)[C@H](C)c1cnn(C)c1 823946788 OQASYJYGAGYAJE-DTWKUNHWSA-N 240.307 -0.133 50 20 BBGD CC[C@H](OC)C(=O)NN(C)[C@@H](C)CO 823964600 BZHHMUTXDSENCF-YUMQZZPRSA-N 204.270 -0.245 50 20 BBGD CCNC(=O)NNC(=O)[C@H](CC)C(=O)OCC 840290065 ZQKMUQXMLVLYFP-ZETCQYMHSA-N 245.279 -0.074 50 20 BBGD CCC(=O)NNC(=O)[C@@H](C)NCC1(N)CCC1 843368022 LKGLFYQJPJXFNR-MRVPVSSYSA-N 242.323 -0.597 50 20 BBGD CC(=O)NNC(=O)[C@@H](O)c1ccccn1 1322366671 UZMMFTYXDKJPHU-QMMMGPOBSA-N 209.205 -0.718 50 20 BBGD NC[C@@H]1OCC[C@H]1C(=O)NNc1ncccn1 1327595676 AFBYWSBIRZKIGU-SFYZADRCSA-N 237.263 -0.717 50 20 BBGD CCN(CCO)NC(=O)CCn1cncn1 1330261699 OKSPVRQUPYCYGA-UHFFFAOYSA-N 227.268 -0.986 50 20 BBGD Cn1nncc1NNC(=O)[C@@H]1[C@H]2CCC(=O)[C@H]21 1333840237 FJVLAXVMWMTTPZ-WLGLDCGKSA-N 235.247 -0.517 50 20 BBGD CCOCCC(=O)NNC(=O)C1CCOCC1 1350852909 ZRTJYAGGOIYGRO-UHFFFAOYSA-N 244.291 -0.013 50 20 BBGD CCOc1ccccc1C(=O)NCC(=O)NN 20076013 SCIWXKFTUQNAAK-UHFFFAOYSA-N 237.259 -0.195 50 20 BBGD CC(=O)N1CCN(S(=O)(=O)CCl)CC1 82512287 RPTNLCZJVYWNRT-UHFFFAOYSA-N 240.712 -0.323 50 20 BBGD CC[C@H]1C(=O)NCCN1S(=O)(=O)CCl 82513407 RGFMUIYWXXXQIT-LURJTMIESA-N 240.712 -0.277 50 20 BBGD O=C(CCl)NCC1(O)CCOCC1 88034052 HUXBOTLKTPIWHU-UHFFFAOYSA-N 207.657 -0.117 50 20 BBGD C[C@H](NC(=O)C(C)(C)C)C(=O)NN(C)C(N)=O 181091874 DMAZFVKBDMTSBQ-LURJTMIESA-N 244.295 -0.421 50 20 BBGD CO[C@@H]1CN(C(=O)[C@@H](C)Cl)C[C@H]1O 307017626 WDRLIINWLUWPMO-FSDSQADBSA-N 207.657 -0.168 50 20 BBGD Cn1cc(/C=C(\C#N)C(=O)N[C@@H]2CC[C@H]2O)cn1 491087382 XCRWODKKLGOYRW-MJMLHWTPSA-N 246.270 -0.033 50 20 BBGD COCCCCNCc1ccccc1B(O)O 585015512 DIXDUCRNZVDSTO-UHFFFAOYSA-N 237.108 -0.117 50 20 BBGD C[C@@H](C[C@@H](C)O)NCc1ccc(B(O)O)o1 585035355 RNYKRINWKCOUGL-JGVFFNPUSA-N 227.069 -0.792 50 20 BBGD COC[C@@H](C)CC(=O)NNC(=O)N(C)C 755255084 NEHBPMDXQVEYLR-ZETCQYMHSA-N 217.269 -0.039 50 20 BBGD CCNC(=O)NNC(=O)C(C)(C)C(=O)OCC 762961749 RKAXMTJLHQIJKB-UHFFFAOYSA-N 245.279 -0.074 50 20 BBGD C[C@H]1CC[C@H](C)N1CC(=O)NN(C)C(N)=O 778417449 TUXQQDDBYNGNGK-YUMQZZPRSA-N 228.296 -0.099 50 20 BBGD CC[C@H](C(=O)NNC(=O)C(C)C)C(=O)OC 790119713 VSQKUUIZKDKNIB-SSDOTTSWSA-N 230.264 -0.011 50 20 BBGD CCO[C@@H]1CC(=NNC(=O)C(N)=O)[C@@H]1SC 807944717 MWYJIYPKPDXKGK-RQJHMYQMSA-N 245.304 -0.516 50 20 BBGD O=C(NN=C[C@@H]1CCOC1)C(=O)NC1CC1 812451641 IZGFSEPOKVSFFA-ZETCQYMHSA-N 225.248 -0.597 50 20 BBGD CCn1nc(C)c(C(=O)NN(C)[C@@H](C)CO)n1 823922117 HHGFAUNBMJATEV-ZETCQYMHSA-N 241.295 -0.436 50 20 BBGD C[C@H](CO)N(C)NC(=O)CN1CCCCC1=O 823976519 FTIJQBXSOAMKHP-SECBINFHSA-N 243.307 -0.657 50 20 BBGD COCC(=O)NNC(=O)N[C@@H](C)C(F)(F)F 824391576 MRCSEXAGHCUAJP-BYPYZUCNSA-N 243.185 -0.086 50 20 BBGD CC(=O)NN=Cc1nnn(C(C)(C)C)n1 853257689 JNAKSQJWTOLSRR-UHFFFAOYSA-N 210.241 -0.102 50 20 BBGD CCOCCC(=O)NNC(=O)COCCOC 869909496 YCTKZEKYVQFADV-UHFFFAOYSA-N 248.279 -0.777 50 20 BBGD O=C(NNC1=N[C@H]2C=C[C@H]1C2)c1ncon1 901290213 SLWCKQMWBDAIQO-WDSKDSINSA-N 219.204 -0.339 50 20 BBGD C[C@@H](O)CN(C)NC(=O)c1cnc2n1CCC2 910140084 HDRLYIUNMYLNTR-MRVPVSSYSA-N 238.291 -0.213 50 20 BBGD CN(C)C(=O)c1ccc(C=NNC(N)=O)[nH]1 1116220094 ACRVYEKQSFDQJL-UHFFFAOYSA-N 223.236 -0.281 50 20 BBGD C[S@](=O)CCNC(=O)NNc1ncccn1 1318963728 LMYIUIDREBCQSU-INIZCTEOSA-N 243.292 -0.519 50 20 BBGD NC(=O)N1CCC[C@H]1C(=O)NN=c1cc[nH]cc1 1320792668 FBKRBCCFSUMLOE-VIFPVBQESA-N 249.274 -0.510 50 20 BBGD Cc1cnc(C(=O)NN(C)C(N)=O)cn1 1324779770 ZBOUTCIDGHPCPW-UHFFFAOYSA-N 209.209 -0.560 50 20 BBGD COCCCNC(=O)NNC(=O)CCCN 1579016358 FWCZZVKCXZVOGC-UHFFFAOYSA-N 232.284 -0.908 50 20 BBGD C[C@@H]1CNC[C@H]1NCc1ccc(B(O)O)cc1 1579467505 KZNZETZHKYTQSY-BXKDBHETSA-N 234.108 -0.936 50 20 BBGD CC[C@@H](C)[C@@H](NNC(=O)C(=O)OC)C(=O)O 1604949055 YBYIJVRPAKWBEH-PHDIDXHHSA-N 232.236 -0.721 50 20 BBGD CNC(=O)NNC(=O)c1cc(C2CC2)[nH]n1 48950001 CVWQBHHLJULRNA-UHFFFAOYSA-N 223.236 -0.139 50 20 BBGD CCOC(=O)NNC(=O)c1ccc(=O)[nH]c1 58097337 GTEXBTRNJUEARJ-UHFFFAOYSA-N 225.204 -0.234 50 20 BBGD CNC(=O)NNC(=S)NCCCC(=O)OC 63792209 NOSISLUPXUKCME-UHFFFAOYSA-N 248.308 -0.752 50 20 BBGD CN1CCO[C@H](C(=O)NNc2ncccn2)C1 81247206 VQZIGMVTDSGRDW-QMMMGPOBSA-N 237.263 -0.750 50 20 BBGD CCC[C@H](C#N)NC(=O)c1cccc(B(O)O)c1 584936713 MBJHQMHIYBABRH-LLVKDONJSA-N 246.075 -0.212 50 20 BBGD C[C@H](CF)NC(=O)c1cccc(B(O)O)c1 584990063 NXEMXEJUEBNBIX-SSDOTTSWSA-N 225.028 -0.546 50 20 BBGD CO[C@H](C(=O)NCB(O)O)C1CCCCC1 585062097 AYRLMUNNJKIELG-VIFPVBQESA-N 229.085 -0.290 50 20 BBGD C/C=C/C(=O)NNC(=O)Cc1cc[nH]n1 755279549 ODKDLNPWGOHKSS-NSCUHMNNSA-N 208.221 -0.324 50 20 BBGD COCCCNC(=O)NNC(=O)[C@@H]1CCCO1 763557562 WJRCAJXRFQAGJU-QMMMGPOBSA-N 245.279 -0.468 50 20 BBGD O=C(NNC(=O)c1ccncn1)c1cccnc1 778279695 DFJXSCANVAZVSU-UHFFFAOYSA-N 243.226 -0.054 50 20 BBGD CC(C)C(=O)NNC(=O)N[C@H](C)C[S@](C)=O 784528821 BMVJEDDVWACTJK-QZTNRIJFSA-N 249.336 -0.260 50 20 BBGD CC(C)C(=O)NNC(=O)[C@@H]1CCC(=O)N1C 785018044 BBSNGWHQWXSPPZ-ZETCQYMHSA-N 227.264 -0.589 50 20 BBGD CN(C)C(=O)NNC(=O)[C@H]1CCCN1C1CC1 787268117 UHJWOHNWLUETLR-SECBINFHSA-N 240.307 -0.084 50 20 BBGD O=C1CC[C@@H](C(=O)NNc2ncccc2F)N1 804212486 WRJFHKRNNGAQRC-ZETCQYMHSA-N 238.222 -0.058 50 20 BBGD Cn1ncc(C=NNC(=O)c2ccc[nH]2)n1 814778335 AGEQPFMPNZOOBW-UHFFFAOYSA-N 218.220 -0.093 50 20 BBGD O=C(NNC(=O)[C@H]1CCCS1)c1ncon1 832825941 MLKVOIDVGALAJJ-RXMQYKEDSA-N 242.260 -0.274 50 20 BBGD O=C(CC1CC1)NNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 839779769 MBQYNNHFMTWEKH-RNFRBKRXSA-N 227.220 -0.401 50 20 BBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)CC(C)(C)O 843971990 SOGVQCPSSZHZIS-SFYZADRCSA-N 244.291 -0.280 50 20 BBGD CCCNC(=O)NNC(=O)C(C)(C)CO 847395103 RABSWRGRHWZTCY-UHFFFAOYSA-N 217.269 -0.255 50 20 BBGD CON(C)CCNS(=O)(=O)CCl 849409304 ZHOYOTAUNMGMOE-UHFFFAOYSA-N 216.690 -0.405 50 20 BBGD CC[C@H](C(=O)NNC(=O)c1cn[nH]c1)N(C)C 862472164 GTRJCMKUCJELEA-MRVPVSSYSA-N 239.279 -0.489 50 20 BBGD CC(C)OCCNCc1ccccc1B(O)O 877336996 VLUMLSBYPYSYAI-UHFFFAOYSA-N 237.108 -0.119 50 20 BBGD C=C[C@](C)(O)CC(=O)NN(C)C[C@@H](C)O 910151915 HCFHJRJWJITVSD-SCZZXKLOSA-N 216.281 -0.343 50 20 BBGD C[C@@H](O)CN(C)NC(=O)CN(C)C(=O)C1CC1 910168346 SNYQLUGUQKSMKY-MRVPVSSYSA-N 243.307 -0.801 50 20 BBGD O=C(NNC(=O)N1CCOCC1)[C@H]1C[C@H]1F 1123630472 JZGQCVOJSREKPQ-NKWVEPMBSA-N 231.227 -0.583 50 20 BBGD CC(C)NC(=O)C(=O)NNC(=O)[C@@H]1C[C@@H]1F 1520746529 FYITZKAQBRXATH-RITPCOANSA-N 231.227 -0.984 50 20 BBGD C[C@H](CO)N(C)NC(=O)[C@H]1CC[C@@H](C(=O)O)C1 1573602599 YKMUQBDCLAOQPZ-HRDYMLBCSA-N 244.291 -0.169 50 20 BBGD CC[C@H](C(=O)O)C(=O)NNC(=O)c1cn[nH]c1 1604878582 RMRRYYMVEYYSRI-LURJTMIESA-N 240.219 -0.719 50 20 BBGD CC(C)CNC(=S)NNC(=O)C(=O)O 1609699861 PGHDBPTVDSTPQN-UHFFFAOYSA-N 219.266 -0.778 50 20 BBGD O=C(C[C@H]1CCNC1)N1CC[C@@H](B(O)O)C1 2088605348 VPAOBTVELHCRCQ-RKDXNWHRSA-N 226.085 -0.939 50 20 BBGD COC(=O)N(C)CC(=O)NNC(=O)C1CC1 61185234 AQTBKXDABAPFJQ-UHFFFAOYSA-N 229.236 -0.758 50 20 BBGD CN(C)CC(=O)NNC(=O)c1ccccc1O 171180166 RZMPXOUDBUPUTP-UHFFFAOYSA-N 237.259 -0.285 50 20 BBGD COc1ccnc(NNC(=O)CC#N)n1 274201391 NKCSHCUIQUANEE-UHFFFAOYSA-N 207.193 -0.158 50 20 BBGD COCC1(NC(=O)c2cccc(B(O)O)c2)CC1 584963132 PFFRKJPWGLEUQN-UHFFFAOYSA-N 249.075 -0.725 50 20 BBGD CC(=O)NNC(=O)c1cnn(C)c1-n1cccc1 750229826 FUDYUAKAHCTKHH-UHFFFAOYSA-N 247.258 -0.008 50 20 BBGD CN(NC(=O)[C@@H]1C[C@]12CCOC2)C(N)=O 764296633 CXSWQZBQCYZHND-RCOVLWMOSA-N 213.237 -0.545 50 20 BBGD Cc1ccc(CC(=O)NN(C)C(N)=O)cn1 770437956 DUZJLXDETJEPBN-UHFFFAOYSA-N 222.248 -0.026 50 20 BBGD CC(C)(O)CC(=O)NNC(=O)N1CCOCC1 792109356 VHJDCEOSAOSVMD-UHFFFAOYSA-N 245.279 -0.780 50 20 BBGD Cn1cc(C=NNC(=O)c2cnccn2)c(O)n1 814218118 SLKDQDJWMRCJIX-UHFFFAOYSA-N 246.230 -0.320 50 20 BBGD CC(=O)NCC(=O)NNc1nc(C)cc(C)n1 817276882 SEKFCIRTQVYJDR-UHFFFAOYSA-N 237.263 -0.327 50 20 BBGD CC(C)CC(=O)NNS(=O)(=O)c1ncc[nH]1 821132372 OWGGHSZMCYDOAW-UHFFFAOYSA-N 246.292 -0.235 50 20 BBGD CCC(C)(C)OCC(=O)NNC(=O)CN(C)C 839641577 WJTDLRSDLCYONZ-UHFFFAOYSA-N 245.323 -0.099 50 20 BBGD CNC(=S)N(C)NC(=O)[C@H]1CO[C@H](C)C1 854919765 FADZHWMRDBZRDG-RNFRBKRXSA-N 231.321 -0.121 50 20 BBGD O=C1CC[C@H](C(=O)NN=Cc2cc[nH]c2)N1 863148395 BAADBIQGSZBOON-MRVPVSSYSA-N 220.232 -0.257 50 20 BBGD CC(C)CC(=O)NNC(=O)CCc1cnn[nH]1 864725051 VLYYJYMPYWZVFL-UHFFFAOYSA-N 239.279 -0.069 50 20 BBGD C[C@@H](O)CN(C)NC(=O)[C@@H](C)N(C)C 910138558 BWRUOLSBBXQWDZ-HTQZYQBOSA-N 203.286 -0.720 50 20 BBGD Cc1ccn(CC(=O)NN(C)C[C@@H](C)O)n1 910144538 KEGJUKPWECTETR-SECBINFHSA-N 226.280 -0.465 50 20 BBGD NC(=O)[C@@H](O)CNC(=O)C1CCC(Cl)CC1 1123758614 URFDVHDUAOAOPT-RRQHEKLDSA-N 248.710 -0.254 50 20 BBGD N#CCOc1cccc(C=NNC(=O)C(N)=O)c1 1317866019 JWEBCRITNWLKBF-UHFFFAOYSA-N 246.226 -0.476 50 20 BBGD CN(NC(=O)c1cnn2c1OCCC2)C(N)=O 1326314950 PNWZGISKIOUQSU-UHFFFAOYSA-N 239.235 -0.679 50 20 BBGD CCNC(=O)N(C)NC(=O)CNCC(C)C 1326339112 JWDGFAOMFRCDEX-UHFFFAOYSA-N 230.312 -0.076 50 20 BBGD COC(=O)NNC(=O)COCc1ncc(C)o1 1326652396 SHSJOYIBISIKOX-UHFFFAOYSA-N 243.219 -0.113 50 20 BBGD CCn1ncnc1C=NNC(=O)COC 1326827520 CTJSCEZMEWIMIW-UHFFFAOYSA-N 211.225 -0.606 50 20 BBGD O=C(c1ccncc1F)N1CC[C@H](B(O)O)C1 1329671004 GZBQADCZEWQKSR-ZETCQYMHSA-N 238.027 -0.090 50 20 BBGD COCCOCC(=O)NN=Cc1[nH]cnc1C 1330110361 VTGWXVREVFABGN-UHFFFAOYSA-N 240.263 -0.169 50 20 BBGD CC1=NO[C@](C)(C(=O)NNC(=O)[C@@H]2CCN2)C1 1576561464 CABJMPIPRVBOBG-XVKPBYJWSA-N 240.263 -0.949 50 20 BBGD O=C(CN1C(=O)CNC1=O)NNc1ccccc1 120466705 IKPJDFPEOLKZOT-UHFFFAOYSA-N 248.242 -0.319 50 20 BBGD CN(C)C(=O)NN=Cc1cnn(C)c1N 378864226 XBPZKCYWURBRJS-UHFFFAOYSA-N 210.241 -0.393 50 20 BBGD CCOCCCNCc1ccc(B(O)O)o1 585014936 JNZUKTDRAGFALD-UHFFFAOYSA-N 227.069 -0.524 50 20 BBGD C[C@H](O)C[C@@H](C)NCc1cccc(B(O)O)c1 585033755 BEQMFJOEWGNZPJ-ZJUUUORDSA-N 237.108 -0.385 50 20 BBGD C/C=C/C[C@@H](CO)NCc1ccc(B(O)O)o1 585037160 WHRUPIGBWFYETF-HPOULIHZSA-N 239.080 -0.624 50 20 BBGD C=CCO[C@@H](C)CNCc1ccc(B(O)O)o1 585042445 QQCJXLLOCMFTAD-VIFPVBQESA-N 239.080 -0.360 50 20 BBGD C[C@@H](NCc1ccc(B(O)O)o1)c1nccn1C 585049655 JBOJEBPCBDKOLB-MRVPVSSYSA-N 249.079 -0.456 50 20 BBGD CCO[C@H](C(=O)N1CC[C@H](B(O)O)C1)C1CC1 585067603 SYSILOKMZQBENG-UWVGGRQHSA-N 241.096 -0.123 50 20 BBGD CCNC(=O)CNC(=O)/C(C#N)=C/OCC 746510714 JSFRWFIGJFVZJL-BQYQJAHWSA-N 225.248 -0.317 50 20 BBGD O=C(Cn1cc(C2CC2)nn1)NNC(=O)C1CC1 760243140 YBBPOEUVADSJES-UHFFFAOYSA-N 249.274 -0.287 50 20 BBGD Cn1ncc(C(=O)NNC(=O)C2CCCC2)n1 785842297 TVZDOMZOAXDANK-UHFFFAOYSA-N 237.263 -0.234 50 20 BBGD CO[C@](C)(C(=O)NN(C)C(N)=O)C1CC1 812542164 SHAKFLGPNXSKKW-VIFPVBQESA-N 215.253 -0.157 50 20 BBGD CCN1CCO[C@@H](C(=O)NN(C)[C@@H](C)CO)C1 823951172 ITTOVGHZUWGTGJ-VHSXEESVSA-N 245.323 -0.949 50 20 BBGD COCCN(C)NC(=O)c1cn(C2CC2)nn1 861656808 AKRABAVZABWYKW-UHFFFAOYSA-N 239.279 -0.164 50 20 BBGD COC(=O)N(C)NC(=O)NCCCNC(C)=O 875085702 GBHSKDFXRUZDIN-UHFFFAOYSA-N 246.267 -0.575 50 20 BBGD OB(O)c1cccc(CNCC[C@@H](O)C2CC2)c1 898192788 IWEOQUIHXWHRSI-CYBMUJFWSA-N 249.119 -0.383 50 20 BBGD C[C@@]1(C(=O)NCC(N)=O)C[C@H]1Br 905862939 AUMACRVAVWOFIF-CLZZGJSISA-N 235.081 -0.239 50 20 BBGD Cc1cnn(CC(=O)NN(C)C[C@@H](C)O)c1 910166986 BBSBRNQKNNPQMB-SECBINFHSA-N 226.280 -0.465 50 20 BBGD CCNC(=O)NNC(=O)[C@@H]1CCOC1 921208388 XUJSRSWHTFIEDW-ZCFIWIBFSA-N 201.226 -0.627 50 20 BBGD CCn1cnc(C(=O)NNC(=O)NC)c1 1330234834 WZTPLJJZEGNEBH-UHFFFAOYSA-N 211.225 -0.523 50 20 BBGD O=C(NNC(=O)C1CCOCC1)C(F)F 1353002839 HAGBSAFFVKSHSN-UHFFFAOYSA-N 222.191 -0.175 50 20 BBGD CO[C@@H](C)CNCc1ccc(B(O)O)cc1F 585036404 GPTLQZFIBAEALK-QMMMGPOBSA-N 241.071 -0.370 50 20 BBGD Cc1ccc(O[C@H](C)C(=O)NCB(O)O)cc1 585058846 RMLHAMHEOVVMKU-SECBINFHSA-N 237.064 -0.109 50 20 BBGD C[C@]1(CO)C[C@@H](O)CN1S(=O)(=O)CCl 698129887 LFFNZRDJPGWABF-RNFRBKRXSA-N 243.712 -0.670 50 20 BBGD Cc1n[nH]cc1C(=O)NNC(=O)[C@@H](C)C#N 736673031 DJQNELBVBXIEJU-YFKPBYRVSA-N 221.220 -0.361 50 20 BBGD CC[C@@H]1CC[C@@H](C(=O)NNC(=O)CN(C)C)O1 757383450 ONLLJHNHMQLHHP-BDAKNGLRSA-N 243.307 -0.347 50 20 BBGD C[C@H](NS(C)(=O)=O)C(=O)NN=C[C@@H]1C[C@H]1C 758371635 YCEGGIGVWFYWTC-CSMHCCOUSA-N 247.320 -0.318 50 20 BBGD C[C@@H](C(=O)NN(C)C(N)=O)N1CCSCC1 778412974 ZEJOAIVCKRULJR-ZETCQYMHSA-N 246.336 -0.535 50 20 BBGD C[C@@H]1CC(=NNC(=O)C(C)(C)O)CN1C 785461806 YIVNIXSLUPUDQZ-SSDOTTSWSA-N 213.281 -0.047 50 20 BBGD CC(=O)NNC(=O)c1ccnc2c1nnn2C 801102082 AHVKIDRPMPFAKF-UHFFFAOYSA-N 234.219 -0.856 50 20 BBGD COC[C@H](OC)C(=O)NNC(=O)C1CCC1 827216202 MZAHZIYBDGHPTO-QMMMGPOBSA-N 230.264 -0.405 50 20 BBGD CNC(=S)N(C)NC(=O)Cc1cc(C)on1 854923852 LCAMMYZSLUTNBI-UHFFFAOYSA-N 242.304 -0.007 50 20 BBGD C#C[C@@H](CCC)NC(=O)c1cccc(B(O)O)c1 863879940 IFTPSILEGFCDND-LBPRGKRZSA-N 245.087 -0.102 50 20 BBGD COC/C=C\C(=O)NNC(=O)NCC1CC1 865016087 VVECTHDVBHTUCL-IHWYPQMZSA-N 227.264 -0.071 50 20 BBGD CCOCCO[C@@H](C)C(=O)NN(C)C[C@@H](C)O 910167513 HABIXTFSLWXWCX-ZJUUUORDSA-N 248.323 -0.228 50 20 BBGD COc1cc(C(=O)NNC(=O)C(C)C)ncn1 929288375 RLSSJPMHHRCPLV-UHFFFAOYSA-N 238.247 -0.098 50 20 BBGD C#CCNC(=S)NNC(=O)c1cnn(C)c1 1116388649 WCNXDGLBOVEIDS-UHFFFAOYSA-N 237.288 -0.838 50 20 BBGD CN(NC(=O)c1ccc(O)cc1O)C(N)=O 1116518265 ZBWBMWNFLQEERX-UHFFFAOYSA-N 225.204 -0.247 50 20 BBGD CNC(=O)NNC(=O)[C@@H](O)c1cccnc1 1321871752 WHRZVYOBTPHOLM-ZETCQYMHSA-N 224.220 -0.925 50 20 BBGD C[C@H](Cc1cnc[nH]1)C(=O)NN(C)C(N)=O 1329177852 JOPRJGPOIALJTQ-ZCFIWIBFSA-N 225.252 -0.370 50 20 BBGD CCc1onc(C)c1C=NNC(=O)CO 1336229756 HNUPLVCIVAIQHY-UHFFFAOYSA-N 211.221 -0.012 50 20 BBGD CNC(=O)NNC(=O)c1ccnc(F)c1 1338104352 OHRYXSZYEQQRSF-UHFFFAOYSA-N 212.184 -0.206 50 20 BBGD CN(NC(=O)c1ccc(Cl)nn1)C(N)=O 1347803305 WAPFEYIODXYPBM-UHFFFAOYSA-N 229.627 -0.215 50 20 BBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)CCCCO 1348728460 KKHADBAYMRXIAX-BDAKNGLRSA-N 244.291 -0.279 50 20 BBGD CN(NC(=O)[C@H]1CCS(=O)(=O)C1)C1CC1 1348978055 IRCKSVQWPWGZHG-ZETCQYMHSA-N 232.305 -0.454 50 20 BBGD C[C@@H](O)[C@H](N)C(=O)NNc1ccccn1 1574086679 UDMZQFGLIRBHSX-SVRRBLITSA-N 210.237 -0.767 50 20 BBGD N#CC1=CCN(C(=O)[C@H]2OCC[C@H]2N)CC1 1580040208 HJKGGVMAAYLWHE-ZJUUUORDSA-N 221.260 -0.215 50 20 BBGD C[C@H](O)CN(C)NC(=O)[C@H](C)CC(=O)O 1593456542 IWZCTKPZKXAXCZ-RQJHMYQMSA-N 218.253 -0.559 50 20 BBGD CNC(=S)N(C)NC(=O)[C@H]1CC[C@H]1C(=O)O 1593797213 CFZAZLBFPNGKTA-NTSWFWBYSA-N 245.304 -0.436 50 20 BBGD Cn1nncc1NNC(=O)[C@H]1CC[C@H]1C(=O)O 1594598505 RZPUOCYHDZNGRE-NTSWFWBYSA-N 239.235 -0.631 50 20 BBGD CNC(=O)NNC(=O)c1cc(C(C)=O)cn1C 48949789 AMHRQHSDBZVXIF-UHFFFAOYSA-N 238.247 -0.199 50 20 BBGD COC(=O)NNC(=O)[C@H]1CCO[C@H]1C 158747336 HEFNRRLNMLREHZ-WDSKDSINSA-N 202.210 -0.201 50 20 BBGD CCC[C@](C)(O)C(=O)NNC(=O)C(C)(C)O 192923962 AGOUTCBPXACZRS-JTQLQIEISA-N 232.280 -0.544 50 20 BBGD CC(C)C(=O)NNC(=O)c1cnn(C)c1N 390141937 PEBGGOOFUFVXGN-UHFFFAOYSA-N 225.252 -0.581 50 20 BBGD OB(O)c1cccc(CNCC2[C@H]3COC[C@H]23)c1 585041195 VTGYGASWOHFBQD-CHWSQXEVSA-N 247.103 -0.652 50 20 BBGD CCCCS(=O)(=O)N1CC[C@@H](B(O)O)C1 585058175 VCBULBGJTDMQBO-MRVPVSSYSA-N 235.114 -0.335 50 20 BBGD CC(=O)N[C@@H](CCC(C)C)C(=O)NCB(O)O 585063036 RQUREWZOOBRRID-VIFPVBQESA-N 244.100 -0.945 50 20 BBGD CC(=O)NNS(=O)(=O)c1cnc(C(C)C)[nH]1 775247957 LEXQMAWSJUJUHR-UHFFFAOYSA-N 246.292 -0.138 50 20 BBGD O=C(CC1OCCCO1)NNC(=O)NC1CC1 793200735 KPDOUZQQVCHOFZ-UHFFFAOYSA-N 243.263 -0.368 50 20 BBGD CCNC(=O)NN=Cc1cn(C)nc1O 814220130 SZOZINQOJWCQSU-UHFFFAOYSA-N 211.225 -0.221 50 20 BBGD CN1CCO[C@@H](C(=O)NNC(=O)CC2CC2)C1 819125881 DNAKVNDAZSKCTO-SECBINFHSA-N 241.291 -0.736 50 20 BBGD CN(C)C(=O)NNC(=O)C1(N(C)C)CC1 824627191 JJKXPFKICXYFBL-UHFFFAOYSA-N 214.269 -0.617 50 20 BBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)CC#N 843970559 HYBHWGJBPCFYNZ-NKWVEPMBSA-N 211.221 -0.528 50 20 BBGD CNC(=S)N(C)NC(=O)c1cc(C)[nH]n1 854925740 LPAQISHJPWQXPD-UHFFFAOYSA-N 227.293 -0.201 50 20 BBGD CCC(C)(C)C(=O)NNC(=O)[C@H]1CCC(=O)N1 862452622 GBDDELBXBWJXQG-SSDOTTSWSA-N 241.291 -0.151 50 20 BBGD Cn1nncc1NNC(=O)C1CSC1 897845617 GBJPIMBQVCBPFW-UHFFFAOYSA-N 213.266 -0.379 50 20 BBGD CC[C@H](O)[C@@H](C)C(=O)NN(C)C(=S)NC 909991656 FXEBDQZBAXFEAM-RQJHMYQMSA-N 233.337 -0.139 50 20 BBGD CNC(=S)N(C)NC(=O)CC(=O)OC 909994163 UPAMLBQRFVIIBK-UHFFFAOYSA-N 219.266 -0.983 50 20 BBGD C[C@@H](O)CN(C)NC(=O)c1cc2n(n1)CCC2 910146111 XYKFQBIREOPGPK-MRVPVSSYSA-N 238.291 -0.213 50 20 BBGD CCNC(=O)NNC(=O)c1nccn1CC 1117704761 AESPWVAJKBOERR-UHFFFAOYSA-N 225.252 -0.133 50 20 BBGD Cn1cc(C(=O)NNc2cccnn2)cn1 1320056892 HQUZAORWXUKNHA-UHFFFAOYSA-N 218.220 -0.033 50 20 BBGD CC(=O)NCCNC(=O)NNc1cccnn1 1321970398 YXTBJCBEDMYCLR-UHFFFAOYSA-N 238.251 -0.761 50 20 BBGD O=C(NNc1ccc(F)cn1)C(=O)NC1CC1 1329867109 OARQDHVIVMJGII-UHFFFAOYSA-N 238.222 -0.058 50 20 BBGD CC(=O)NNC(=O)CCc1cnn(C)c1C 1330505101 RBNUBSAEPCWLMO-UHFFFAOYSA-N 224.264 -0.172 50 20 BBGD COC(=O)NNC(=O)[C@H]1CCc2nncn2C1 1330517482 OKOQJRFOLDZDJM-LURJTMIESA-N 239.235 -0.772 50 20 BBGD COC(=O)C(=O)NN=C(C)[C@H](C)OC 1333245707 RRLKZVMHSDFCIJ-LURJTMIESA-N 202.210 -0.314 50 20 BBGD O=C(NNc1cccnn1)[C@]1(O)CCOC1 1348013955 GYLBPEDDQSEBED-VIFPVBQESA-N 224.220 -0.929 50 20 BBGD O=C(Cc1ncc[nH]1)NNC(=O)C1CCC1 1350685016 PRMPFRCHWVDGGO-UHFFFAOYSA-N 222.248 -0.100 50 20 BBGD COc1cccc(OC)c1C(=O)NCB(O)O 170162099 SXURQNHWSSEFLG-UHFFFAOYSA-N 239.036 -0.554 50 20 BBGD in-vitro CC(C)NC(=O)NNC(=O)[C@H]1CC(=O)N(C)C1 299306522 QRJOHYHELPCSNK-ZETCQYMHSA-N 242.279 -0.797 50 20 BBGD C#CCN(CC#CC)CC(=O)NNC(=O)C1CC1 490852779 NHVJOPMDDQWCHY-UHFFFAOYSA-N 247.298 -0.498 50 20 BBGD CC[C@H](NCc1cccc(B(O)O)c1)[C@@H](C)O 585044831 VRXYOPIHUMAHIK-SKDRFNHKSA-N 237.108 -0.385 50 20 BBGD O=C(NCB(O)O)[C@@H]1Cc2ccccc21 585060519 FKNCJRUAUSYMFG-SECBINFHSA-N 205.022 -0.546 50 20 BBGD CCn1ncc(CN2CC[C@H](B(O)O)C2)n1 585079331 YPMXEPKKKFTTLU-QMMMGPOBSA-N 224.073 -0.653 50 20 BBGD CC(C)CO[C@@H](C)C(=O)NNC(=O)CN(C)C 733359697 NQMBXWDAHYIUDZ-VIFPVBQESA-N 245.323 -0.244 50 20 BBGD O=C(O)NCCCC(=O)NNc1cccnn1 739957376 SSZUCKABGGFOAD-UHFFFAOYSA-N 239.235 -0.033 50 20 BBGD COc1ccnc(NNC(=O)c2cncn2C)n1 764216158 JHDZJYFYATWVFA-UHFFFAOYSA-N 248.246 -0.024 50 20 BBGD O=C(CN1CCCC1=O)NN=C[C@H]1CCOC1 812438394 BUAURAHVADHOHK-SECBINFHSA-N 239.275 -0.253 50 20 BBGD COc1nccnc1NNC(=O)[C@H](O)C(C)C 840572007 NRMGYJLPBKCIDE-SSDOTTSWSA-N 240.263 -0.055 50 20 BBGD CCC(=O)NNC(=O)[C@H](C)N1CC(C)(C#N)C1 846883554 SHWNPKNIDZSUDY-QMMMGPOBSA-N 238.291 -0.222 50 20 BBGD CC(C)NC(=O)NNC(=O)[C@@H](NC=O)C(C)C 858866431 YMMCIFXKTVBJQS-QMMMGPOBSA-N 244.295 -0.504 50 20 BBGD COC(=O)NNC(=O)Nc1cc(OC)n[nH]1 861385889 YODZKCNNWROCCA-UHFFFAOYSA-N 229.196 -0.189 50 20 BBGD C[C@H](NNC(=O)[C@@H]1COCCO1)C(F)(F)F 862307304 JUEVGVCUSFSRRI-WDSKDSINSA-N 242.197 -0.027 50 20 BBGD CCC/C=C\C(=O)NNC(=O)[C@H]1CCC(=O)N1 862449682 IZPAHLWSGKSHPD-PULIVWKDSA-N 239.275 -0.231 50 20 BBGD CC[C@@H](OC)C(=O)NNC(=O)c1cccnn1 882058781 KOJFZJJPAYDBFM-MRVPVSSYSA-N 238.247 -0.337 50 20 BBGD CC#CC[C@H](CO)NCc1ccc(B(O)O)cc1 895103586 YNCPEMSAFJZGNA-CYBMUJFWSA-N 247.103 -0.770 50 20 BBGD CC(C)(C)NC(=S)NNC(=O)[C@@H]1CC(=O)N1 899998288 IZVAOCCUSIBSPY-YFKPBYRVSA-N 244.320 -0.831 50 20 BBGD C[C@H](O)CN(C)NC(=O)[C@H]1C[C@]12CCOC2 910161294 UQHNWFTYRZSVSP-NGZCFLSTSA-N 228.292 -0.243 50 20 BBGD NC(=O)C(=O)NN=Cc1cccc2c1OCCO2 917531815 FNKKZVBEVMTZTR-UHFFFAOYSA-N 249.226 -0.607 50 20 BBGD C=CCCn1cc(C=NNC(=O)CCO)nn1 1118589083 BUVUUIBPQJHBFA-UHFFFAOYSA-N 237.263 -0.313 50 20 BBGD CNC(=O)CCCC(=O)NNc1ncccn1 1319951528 XSDVDZBLCZZOQX-UHFFFAOYSA-N 237.263 -0.164 50 20 BBGD Cn1cc(CC(=O)N2CC[C@H](B(O)O)C2)cn1 1348489838 FBPLTHJEMQILFA-VIFPVBQESA-N 237.068 -0.962 50 20 BBGD C[C@@H](C(=O)N1CC[C@@H](B(O)O)C1)n1cccn1 1348490505 RSXIUAJFOPONCK-DTWKUNHWSA-N 237.068 -0.481 50 20 BBGD C[C@H](C(=O)O)C(=O)NN(C)C[C@@H](C)O 1589151765 BNKAQSCIXQOONB-RITPCOANSA-N 204.226 -0.949 50 20 BBGD O=C(O)C(=O)NN=C1CCc2cccnc21 1608530831 HXWNVIWGQVTGCS-UHFFFAOYSA-N 219.200 -0.067 50 20 BBGD COC1(C(=O)NNc2nnc[nH]2)CCC1 294043537 WLCZNVYYBKOKRK-UHFFFAOYSA-N 211.225 -0.183 50 20 BBGD CC[C@@H](CC#N)NC(=O)c1cccc(B(O)O)c1 584973483 AEIAYPOBYPIPDC-NSHDSACASA-N 246.075 -0.212 50 20 BBGD CC[C@@H](CCO)CNCc1ccc(B(O)O)o1 585028566 NAAVRVWELFPPMV-VIFPVBQESA-N 241.096 -0.542 50 20 BBGD CN(C(=O)NCB(O)O)c1ccc(F)cc1 585059300 ILTDVEOVXILUGL-UHFFFAOYSA-N 226.016 -0.017 50 20 BBGD CC(C)Oc1cccnc1C(=O)NCB(O)O 585061070 KAIUQKMRSDQDCK-UHFFFAOYSA-N 238.052 -0.389 50 20 BBGD C[C@@H]1CN(C)CC1=NNC(=O)CN(C)C 752164726 LIVABZXZYJZFAW-MRVPVSSYSA-N 212.297 -0.398 50 20 BBGD CN1CCN(CC(=O)NNc2ccccn2)CC1 753543081 UKBRIUXICZODTN-UHFFFAOYSA-N 249.318 -0.228 50 20 BBGD C[C@@H]1C[C@H](C(=O)NNC(=O)CN(C)C)CCO1 776475817 WNWNAERUBXOPCL-RKDXNWHRSA-N 243.307 -0.490 50 20 BBGD Nc1ncc2c(n1)CCCC2=NNC(=O)CO 814896052 GHNJVTPDBDAWMN-UHFFFAOYSA-N 235.247 -0.792 50 20 BBGD CC[C@@](C)(O)C(=O)NNC(=O)[C@H]1CCCCO1 820936524 MVYCHUDFRATZQG-LDYMZIIASA-N 244.291 -0.136 50 20 BBGD CC(=O)N[C@H](C)C(=O)NNC(=O)c1ccc[nH]1 844365416 KNEDAALEATYHCY-ZCFIWIBFSA-N 238.247 -0.700 50 20 BBGD CN(NC(=O)C1=NN2CCCN=C2N1)C1CC1 854985286 OGWBXMKYJWXPRS-UHFFFAOYSA-N 236.279 -0.910 50 20 BBGD COCCOCC(=O)NNC(=O)[C@H]1C[C@H]1C 869913106 AFLVPRIJAHQYSP-SFYZADRCSA-N 230.264 -0.547 50 20 BBGD C[C@@H]1COCC1=NNC(=O)C(=O)NC1CC1 884405926 HKWCEZQGUDBXCK-ZCFIWIBFSA-N 225.248 -0.597 50 20 BBGD C#CCCCC(=O)NNC(=O)[C@](C)(O)C=C 887150654 RTYMCKJFVDBXOU-LLVKDONJSA-N 224.260 -0.126 50 20 BBGD CN(NC(=O)[C@@H]1[C@@H]2CCC(=O)[C@H]21)C(N)=O 907187193 OBVUGCYAWRJLRH-PRMYIZFSSA-N 211.221 -0.747 50 20 BBGD C[C@@H](O)CN(C)NC(=O)CN1CCCCC1=O 910169925 HXJYYRNTDFNUNV-SECBINFHSA-N 243.307 -0.657 50 20 BBGD CCNC(=O)N(C)NC(=O)CCCC(=O)O 1118196489 FBECHDBNSXHLJB-UHFFFAOYSA-N 231.252 -0.066 50 20 BBGD CS(=O)(=O)CC(=O)NNC(=O)c1ccco1 1261840077 WGFLEOJFQGMIFR-UHFFFAOYSA-N 246.244 -0.915 50 20 BBGD NC(=O)N1CCCN(C(=O)CCl)CC1 1319785662 HKJRDSLRDZONJI-UHFFFAOYSA-N 219.672 -0.162 50 20 BBGD CCNC(=O)N(C)NC(=O)c1nccnc1N 1319842139 DVCBRPSKOGMMMA-UHFFFAOYSA-N 238.251 -0.635 50 20 BBGD N#CC1=CCN(C(=O)[C@@H]2CCC(=O)N2)CC1 1331940033 SXYJADVLVUQGFK-VIFPVBQESA-N 219.244 -0.053 50 20 BBGD CO[C@H]1CCC[C@@H]1C(=O)NNC(=O)C(C)(C)O 1338960877 RWJZXBCTBVAXAN-YUMQZZPRSA-N 244.291 -0.280 50 20 BBGD Cc1cc(C(=O)N2CC[C@H](B(O)O)C2)ncn1 1348490336 PHRVBBGGNFXEOA-QMMMGPOBSA-N 235.052 -0.526 50 20 BBGD CC(=O)NNC(=O)[C@@H]1CCc2cncn2C1 1350444280 WJYDKGWIZRSVBQ-MRVPVSSYSA-N 222.248 -0.387 50 20 BBGD O=C(O)C(=O)NN=Cc1cc2n(n1)CCCC2 1608531160 SYPILMRCQARKCV-UHFFFAOYSA-N 236.231 -0.246 50 20 BBGD Cc1cc(C(=O)NNC(=O)CN(C)C)no1 129351712 BQKCWOWZRJIRRY-UHFFFAOYSA-N 226.236 -0.694 50 20 BBGD COC(=O)NCC(=O)NNc1ccccn1 181160874 FEHLOPXHYHSICQ-UHFFFAOYSA-N 224.220 -0.119 50 20 BBGD C[C@H](CC(N)=O)NS(=O)(=O)CCCCl 220594901 FIVJEAOFUGZHIF-ZCFIWIBFSA-N 242.728 -0.201 50 20 BBGD CCC[C@@H](NC(N)=O)C(=O)NN(C)C(=O)OC 286209055 DZGHMOAJVSRVEJ-ZCFIWIBFSA-N 246.267 -0.447 50 20 BBGD C[C@H]1C[C@@H]1CNC(=O)c1ccc(B(O)O)cc1 584930219 UJJTUDIBNUASBQ-WCBMZHEXSA-N 233.076 -0.248 50 20 BBGD Cc1cccc(C(=O)NCB(O)O)c1F 585060386 DEGSSGKIEXWTMK-UHFFFAOYSA-N 211.001 -0.124 50 20 BBGD Cc1n[nH]cc1S(=O)(=O)NNC(=O)C(C)C 732046564 YKBHNYDTYIRKTD-UHFFFAOYSA-N 246.292 -0.316 50 20 BBGD O=C(O)NCCC(=O)NNC(=O)c1ccc[nH]1 739937640 DKCWKSCAXMBUKL-UHFFFAOYSA-N 240.219 -0.567 50 20 BBGD CCNC(=O)N(C)NC(=O)C1=COCC1 768411165 XYXITCQYLJYJQS-UHFFFAOYSA-N 213.237 -0.017 50 20 BBGD COc1cc(C(=O)NNC(=O)C2CC2)nn1C 771854813 USSRSODWWVTTAR-UHFFFAOYSA-N 238.247 -0.400 50 20 BBGD CC(C)=CC(=O)NNC(=O)N1CCN(C)CC1 773659495 UEBAHCQFHDNUDH-UHFFFAOYSA-N 240.307 -0.059 50 20 BBGD CC1CC(=NNC(=O)[C@@H](C)NS(C)(=O)=O)C1 814834984 DIGYIMNWAMYLLY-COBSHVIPSA-N 247.320 -0.174 50 20 BBGD C[C@@]1(C(=O)NNC(=O)CC2CC2)CCNC1=O 823203153 RGHKAXWBYDCKMS-LLVKDONJSA-N 239.275 -0.540 50 20 BBGD COCCN(C)NC(=O)[C@H](C)NC(C)=O 848377186 AWWIZQCLTOHOLY-ZETCQYMHSA-N 217.269 -0.880 50 20 BBGD COC(=O)N(C)NC(=O)c1cn(C2CC2)nn1 861656222 DMNBNIXDGFULAT-UHFFFAOYSA-N 239.235 -0.044 50 20 BBGD COC(=O)NCC(=O)NN[C@H](C)C(F)(F)F 862310338 VLGCXYLKLCXWPL-SCSAIBSYSA-N 243.185 -0.086 50 20 BBGD O=C1NCCC[C@@H]1C(=O)NN=c1cc[nH]cc1 867284319 IJLLYMPTWNEWKB-VIFPVBQESA-N 234.259 -0.527 50 20 BBGD CNC(=O)NNC(=O)c1occ2c1CCOC2 1325861572 OZXSVFIUQFKBHF-UHFFFAOYSA-N 239.231 -0.074 50 20 BBGD C[C@H](O)CN(C)NC(=O)CCc1cnn[nH]1 1334200677 DVUBTTKTFAXDFB-ZETCQYMHSA-N 227.268 -0.919 50 20 BBGD Cc1cc(C(=O)NNc2nc[nH]n2)on1 1347709223 KYSIPVHAFURHRP-UHFFFAOYSA-N 208.181 -0.142 50 20 BBGD CC(C)(O)C(=O)NNC(=O)[C@H]1C[C@@H]1F 1348331034 IAGQTYBPNQSXRW-WHFBIAKZSA-N 204.201 -0.737 50 20 BBGD O=C(NNC(=O)C1(C(=O)O)CC1)NC1CC1 1601553221 YEUXJHWFEVNNQE-UHFFFAOYSA-N 227.220 -0.656 50 20 BBGD CC[C@@H](C(=O)O)C(=O)NNC(=O)c1cn[nH]c1 1604878583 RMRRYYMVEYYSRI-ZCFIWIBFSA-N 240.219 -0.719 50 20 BBGD O=C(CN1CCSCC1)NNC(=O)C1CC1 112977089 OFWMEXFJNKOCKT-UHFFFAOYSA-N 243.332 -0.407 50 20 BBGD COCC(=O)NNC(=O)Nc1cccnc1 128232368 RXHMFNNKESQMAE-UHFFFAOYSA-N 224.220 -0.119 50 20 BBGD CC(C)[C@@H](O)C(=O)NNC(=O)c1cnn(C)c1 285449978 IVUATAIVHBQNLV-MRVPVSSYSA-N 240.263 -0.802 50 20 BBGD C[C@H]1C[C@H](C(=O)Nc2cccc(B(O)O)c2)CO1 405067779 XBRVDDMBKCPWGU-IUCAKERBSA-N 249.075 -0.270 50 20 BBGD CCOC(=O)NNC(=O)CC1OCCCO1 492751452 XWPJUHSHJPMYDE-UHFFFAOYSA-N 232.236 -0.083 50 20 BBGD Cn1c(O)nc2cc(C(=O)NCB(O)O)ccc21 585063142 ZLQMYRRYLSGCBQ-UHFFFAOYSA-N 249.035 -0.979 50 20 BBGD C[C@@H]1C[C@H]1C(=O)NNC(=O)c1cn[nH]c1 730592405 LTRZQVSDKHTFAZ-IYSWYEEDSA-N 208.221 -0.173 50 20 BBGD Cc1ccc(C(=O)NN)cc1S(N)(=O)=O 750800574 GJLGACNXUSFVCR-UHFFFAOYSA-N 229.261 -0.754 50 20 BBGD CC(C)(F)C(=O)NNC(=O)Cc1cc[nH]n1 755285391 RQQPIGIZNYOIHT-UHFFFAOYSA-N 228.227 -0.152 50 20 BBGD CC(C)N(C)CC(=O)NNC(=O)C(C)(C)O 787947505 RHLCALHUZDRNMO-UHFFFAOYSA-N 231.296 -0.755 50 20 BBGD COCCN(C)NC(=O)CCc1cnn(C)c1 808074624 GGXFCQXQJXXBEQ-UHFFFAOYSA-N 240.307 -0.038 50 20 BBGD Cn1ccc(C=NNC(=O)C(=O)N2CCCC2)n1 814824355 SOCGAIKPVNEJTP-UHFFFAOYSA-N 249.274 -0.507 50 20 BBGD CCn1cc(CC(=O)NN(C)[C@H](C)CO)cn1 823934103 BTEXQEIKCGVWAS-SECBINFHSA-N 240.307 -0.211 50 20 BBGD Cc1nonc1CC(=O)NNC(=O)C1CCC1 845484560 UNQWIGYAPUTAIT-UHFFFAOYSA-N 238.247 -0.132 50 20 BBGD C[C@H](C(=O)NNC(=O)[C@H]1CCC(=O)N1)C1CC1 862456167 MZMSPSIKYIHUTB-POYBYMJQSA-N 239.275 -0.542 50 20 BBGD C[C@@H](O)CN(C)NC(=O)[C@@H]1C[C@H]2CC(=O)[C@@H]1C2 910150762 VUZGKCWFEUMOMD-UTINFBMNSA-N 240.303 -0.055 50 20 BBGD Cn1cnc(C(=O)NNC(=O)NC2CC2)c1 1324482892 QDLLUQVIKANQGG-UHFFFAOYSA-N 223.236 -0.474 50 20 BBGD CC(C)NC(=S)NNC(=O)C1(O)CCC1 1342858154 CEAYSYLTOIAQQX-UHFFFAOYSA-N 231.321 -0.195 50 20 BBGD C#Cc1ccc(C(=O)NNC(=O)NCCN)cc1 1574756586 CTKXEXFTHGZFSD-UHFFFAOYSA-N 246.270 -0.429 50 20 BBGD CNC(=O)NNC(=O)c1cc(C(=O)O)ccn1 1598650858 PEGRISXJWICHAY-UHFFFAOYSA-N 238.203 -0.646 50 20 BBGD NC(=O)C(=O)NN=Cc1sccc1C(=O)O 1776015650 HCVGCLJDERNKSD-UHFFFAOYSA-N 241.228 -0.618 50 20 BBGD CN(NC(=O)CN1CCCCCC1=O)C(N)=O 182636279 XHHHJXMBGGBTGL-UHFFFAOYSA-N 242.279 -0.569 50 20 BBGD COC(=O)C[C@@H](C)C(=O)NNC(=O)C(C)(C)O 277876542 DGUSAJCFBYVEHH-ZCFIWIBFSA-N 246.263 -0.896 50 20 BBGD O=C(NCB(O)O)c1cc(Cl)c[nH]1 585061368 WMTQQXDSAFPMPJ-UHFFFAOYSA-N 202.406 -0.590 50 20 BBGD CCNC(=O)NNC(=O)[C@@H]1CCCN1C 733869240 GXYFLVNIEXCJFH-ZETCQYMHSA-N 214.269 -0.569 50 20 BBGD O=C(Cn1cccn1)NNc1cnccn1 734245428 AYXGSFKXVRXKNH-UHFFFAOYSA-N 218.220 -0.184 50 20 BBGD CC(CCO)=NNC(=O)CN1CCCC1=O 749860092 UAZYREQHEDXVQM-UHFFFAOYSA-N 227.264 -0.517 50 20 BBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)C1CC1 770571156 BDZLVETZFBJNRB-HTRCEHHLSA-N 212.249 -0.031 50 20 BBGD C[C@@H](O)C(=O)NNc1nc(-c2cccnc2)no1 786934232 HHBNDKWFXRIRBS-ZCFIWIBFSA-N 249.230 -0.045 50 20 BBGD C=C[C@H](O)C(=O)NNc1nccc(OC)n1 816859499 BCHCGFJDFIRVEJ-LURJTMIESA-N 224.220 -0.525 50 20 BBGD CCNC(=O)NNC(=O)[C@@H](C)CC(=O)O 829799167 FJDJIJDEOVMXJH-YFKPBYRVSA-N 217.225 -0.553 50 20 BBGD CCNC(=O)N(C)NC(=O)[C@@H]1CSCN1 843494682 VJADFDHFHNULHQ-LURJTMIESA-N 232.309 -0.659 50 20 BBGD CC[C@H](CC#N)NCC(=O)NNC(=O)C1CC1 846988058 QIVNQWOVXUQYEH-SECBINFHSA-N 238.291 -0.174 50 20 BBGD O=C1CC[C@H](C(=O)NNC(=O)c2cc[nH]n2)C1 855354990 PLHBLFOLXKAYSU-LURJTMIESA-N 236.231 -0.460 50 20 BBGD C[C@H]1OCCC1=NNC(=O)[C@H]1CCC(=O)N1 863148215 WPVARKSQBCEQSK-HTRCEHHLSA-N 225.248 -0.454 50 20 BBGD CCOC(=O)[C@@H](C(=O)NNC(=O)NC)C(C)C 874170575 WMYHFMGLZXNXIU-SSDOTTSWSA-N 245.279 -0.218 50 20 BBGD CCCNC(=O)NNC(=O)[C@@H](C)OC 921037886 DLGNQAFFGYTQEU-ZCFIWIBFSA-N 203.242 -0.238 50 20 BBGD Cc1ccc(NNC(=O)NCC#CCO)nn1 923780371 PYGXVCBEHDSWGU-UHFFFAOYSA-N 235.247 -0.593 50 20 BBGD CC(=NNC(=O)[C@H]1CCC(=O)N1)c1ncc[nH]1 1120073175 BCKLYHRGKZVCNE-SSDOTTSWSA-N 235.247 -0.472 50 20 BBGD CC(C)C(=O)NNC(=O)C[C@@H]1CC(=O)N1 1261661088 FWZDOCNAGATLMN-LURJTMIESA-N 213.237 -0.932 50 20 BBGD COC(=O)c1cccc(C=NNC(=O)CO)c1 1320671158 XVOOYYRXUNMITG-UHFFFAOYSA-N 236.227 -0.084 50 20 BBGD Nc1nccnc1C(=O)NNc1ncc(F)cn1 1324519760 FZBZQVIRIFLCFT-UHFFFAOYSA-N 249.209 -0.255 50 20 BBGD Cc1ncncc1C(=O)NN(C)C(N)=O 1337552100 YLIUZMALTKXEPW-UHFFFAOYSA-N 209.209 -0.560 50 20 BBGD CCc1cc(C(=O)NNc2cnnn2C)nn1C 1347988689 WTQHPAIHYXKKOJ-UHFFFAOYSA-N 249.278 -0.132 50 20 BBGD COC(=O)C(=O)NNC(=O)NOCC1CCC1 1350605916 PDKLWEHALKYJQS-UHFFFAOYSA-N 245.235 -0.779 50 20 BBGD C[C@H](CNCc1cccc(B(O)O)c1)C(=O)O 1589067099 ZWYYJIQRLROJDA-MRVPVSSYSA-N 237.064 -0.823 50 20 BBGD CCc1nocc1C=NNC(=O)C(=O)O 1597754457 GKNYVCBAQULXDB-UHFFFAOYSA-N 211.177 -0.228 50 20 BBGD CNC(=S)N(C)NC(=O)CCCC(=O)O 1606292888 ZDWIUSISUNJWJK-UHFFFAOYSA-N 233.293 -0.291 50 20 BBGD NC(=O)[C@H]1CCCN(S(=O)(=O)CCl)C1 82512258 VSQMDDHPJQQGKS-LURJTMIESA-N 240.712 -0.290 50 20 BBGD C[C@H]1C[C@@H](NC(=O)c2ccc(B(O)O)cc2)CO1 585003028 GARMDAXNULTZDU-GZMMTYOYSA-N 249.075 -0.726 50 20 BBGD C[C@H](NCc1cccc(B(O)O)c1)[C@H]1CCOC1 585026208 DCXHKVKTFDOKGB-JQWIXIFHSA-N 249.119 -0.119 50 20 BBGD COc1ccccc1OCC(=O)NCB(O)O 585056982 GCHBBYAYJNCJFA-UHFFFAOYSA-N 239.036 -0.798 50 20 BBGD Cc1ccc(OCC(=O)NCB(O)O)c(C)c1 585058831 RCFBCQSBQBCSIF-UHFFFAOYSA-N 237.064 -0.190 50 20 BBGD CCn1ncc(CN2CC[C@@H](B(O)O)C2)n1 585079330 YPMXEPKKKFTTLU-MRVPVSSYSA-N 224.073 -0.653 50 20 BBGD CC(=O)NNC(=O)c1cc(C(C)=O)c[nH]1 727931066 GIIVQEQTIGEYBG-UHFFFAOYSA-N 209.205 -0.002 50 20 BBGD COC(=O)COCC(=O)NNc1ccccn1 807196378 UPNFTIDXQRIFFD-UHFFFAOYSA-N 239.231 -0.286 50 20 BBGD CC(C)[C@H](C(=O)NN)N1CCCS1(=O)=O 825644892 KEKNDETVLWXVRL-SSDOTTSWSA-N 235.309 -0.964 50 20 BBGD C[C@]1(C(=O)NNC(=O)c2ncon2)CC1(F)F 832825688 DUBPKZURQLVZFY-SSDOTTSWSA-N 246.173 -0.124 50 20 BBGD CCCN1C[C@H](C(=O)NN(C)C(N)=O)CC1=O 839717046 KIPXYZHUWDWTMK-SSDOTTSWSA-N 242.279 -0.713 50 20 BBGD COC(=O)COCC(=O)NNC(=O)CC1CC1 854665910 IJRUHNYDARHJJE-UHFFFAOYSA-N 244.247 -0.877 50 20 BBGD CN(C)C1(C(=O)NNC(=O)c2ccnnc2)CC1 854968888 PPUBPDAIEYGJLA-UHFFFAOYSA-N 249.274 -0.668 50 20 BBGD CO[C@@H](C(=O)O)C(=O)NN=c1cc[nH]cc1 1593910786 AKXUXMDUBXODCA-SSDOTTSWSA-N 225.204 -0.954 50 20 BBGD C[C@H](CO)N(C)NC(=O)[C@H]1C[C@@H](C(=O)O)C1 1604203083 NQAZEPULUJXAGJ-PRJMDXOYSA-N 230.264 -0.559 50 20 BBGD NNC(=O)CCNS(=O)(=O)c1cccs1 37388005 SUMZLXZHIWLFHZ-UHFFFAOYSA-N 249.317 -0.594 50 20 BBGD CNC(=O)NNC(=O)C(C)(C)NC(=O)OC 496451910 NJJTUCADQYAVRD-UHFFFAOYSA-N 232.240 -0.919 50 20 BBGD C[C@H]1CCn2cc(C(=O)NCB(O)O)nc2C1 585066670 MUQHGSKABDGPMC-ZETCQYMHSA-N 237.068 -0.793 50 20 BBGD CC[C@H](OC)C(=O)NNC(=O)NCCCOC 743900688 BFQMXPFJYKGVLW-QMMMGPOBSA-N 247.295 -0.222 50 20 BBGD C[C@@H](C(=O)NNC(=O)c1ccncc1)N(C)C 750602039 FIIUOEVPCBOTFP-QMMMGPOBSA-N 236.275 -0.207 50 20 BBGD C[C@@H](O)C(=O)NNC(=O)c1ccccc1 765459940 IALLNEAFVNYUGW-SSDOTTSWSA-N 208.217 -0.172 50 20 BBGD O=C(C[C@H]1CCCC(=O)N1)NNC(=O)C1CC1 809142757 FHNHMCYZSNKQBO-MRVPVSSYSA-N 239.275 -0.397 50 20 BBGD C=C[C@@H](O)C(=O)NNC(=O)c1cccn1C 816824389 XWZOORHFTWUGDK-MRVPVSSYSA-N 223.232 -0.667 50 20 BBGD CCOC(=O)NNC(=O)[C@H]1CC[C@H]1C(N)=O 816829637 YPISDTAPUGWXEV-RITPCOANSA-N 229.236 -0.725 50 20 BBGD C[C@@H](CO)N(C)NC(=O)c1cnc2cccnn12 823916938 BLSPZFFDWAWWNS-QMMMGPOBSA-N 249.274 -0.313 50 20 BBGD C[C@@H](CO)N(C)NC(=O)Cn1cccn1 823983456 UTOSYIXVPKUSDG-QMMMGPOBSA-N 212.253 -0.773 50 20 BBGD CCNC(=O)N(C)NC(=O)[C@H]1CCCN1 831945566 RYLPGAWVCMPCPT-SSDOTTSWSA-N 214.269 -0.569 50 20 BBGD CCNC(=O)N(C)NC(=O)[C@@H](C)C(=O)O 842651086 QNPHTMPCFWIWBT-RXMQYKEDSA-N 217.225 -0.600 50 20 BBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)C1(C)COC1 843661518 MFRMRYRNVRYGFR-YUMQZZPRSA-N 242.275 -0.405 50 20 BBGD CNC(=S)N(C)NC(=O)[C@H]1CCCC(=O)N1 854921599 TYOVHXXLWOELEP-ZCFIWIBFSA-N 244.320 -0.878 50 20 BBGD CCNC(=O)N(C)NC(=O)c1cc(O)ncn1 860664361 GNFVMLANOIKKKD-UHFFFAOYSA-N 239.235 -0.512 50 20 BBGD CCC(=O)CNC(=O)c1ccc(B(O)O)cc1 863877909 LCULJNWNXYGUBG-UHFFFAOYSA-N 235.048 -0.925 50 20 BBGD NC(=O)c1cc(CNC(=O)CCl)on1 1323270201 WUSNTWZNOAEQFH-UHFFFAOYSA-N 217.612 -0.372 50 20 BBGD CC(C)NC(=O)NNC(=O)C[C@H]1CCC(=O)N1 1330238953 XANOCIMFJUTMLO-SSDOTTSWSA-N 242.279 -0.606 50 20 BBGD CS(=O)(=O)CCC(=O)NNC(=O)C1CCC1 1338905290 YNGQLEPOJDSDQZ-UHFFFAOYSA-N 248.304 -0.631 50 20 BBGD CN(NC(=O)c1cnc2n1CCCC2)C(N)=O 1338914709 CFZOLPHCHRBKFG-UHFFFAOYSA-N 237.263 -0.125 50 20 BBGD Cc1c(CC(=O)NNC(=O)N(C)C)cnn1C 1343858942 YCVFRNGRVXONDD-UHFFFAOYSA-N 239.279 -0.427 50 20 BBGD Cn1cnc(/C=C(\C#N)S(N)(=O)=O)c1 1344636932 GXOQYDSOERHPLT-FARCUNLSSA-N 212.234 -0.427 50 20 BBGD CC(=O)NNC(=O)c1coc([C@@H]2CCCN2)n1 1575014740 IBYHUTYALLJUCY-ZETCQYMHSA-N 238.247 -0.120 50 20 BBGD O=C(O)CCSCC(=O)NNC(=O)C1CC1 1595063970 NNOPRAYCDRNFHI-UHFFFAOYSA-N 246.288 -0.248 50 20 BBGD O=C(O)C12CC(C(=O)NNc3nc[nH]n3)(C1)C2 1601728699 NBSBELJXWZDYKW-UHFFFAOYSA-N 237.219 -0.497 50 20 BBGD CN(C)C(=O)NNC(=O)C1(C(=O)O)CC1 1604046639 ZOVIGGMWADNBGJ-UHFFFAOYSA-N 215.209 -0.846 50 20 BBGD CC(C)NC(=O)NNC(=O)[C@H](C)C(=O)O 1609828239 KQTFCSZCWZFPII-YFKPBYRVSA-N 217.225 -0.554 50 20 BBGD O=C(NN=Cc1ccc(C(=O)O)[nH]1)c1ncon1 1776106299 YTVIYVZLOFOQNJ-UHFFFAOYSA-N 249.186 -0.140 50 20 BBGD C=CCNC(=S)NNC(=O)C1=COCCO1 298281116 RBNKJDQBHXLKKY-UHFFFAOYSA-N 243.288 -0.444 50 20 BBGD COC(=O)NN=C1CCS(=O)(=O)C1 388819333 SZSJEEVDZYEBGD-UHFFFAOYSA-N 206.223 -0.483 50 20 BBGD CNC(=O)CCCC(=O)NN(C)C(=O)OC 496380033 IZPFSMJDOMSPSR-UHFFFAOYSA-N 231.252 -0.368 50 20 BBGD O=C(NC1CC=CC1)c1cccc(B(O)O)c1 584962061 HOWVYUXVAHWFDU-UHFFFAOYSA-N 231.060 -0.185 50 20 BBGD C[C@@H](C[C@@H](C)O)NCc1ccc(B(O)O)cc1 585035094 OYWRXZFJYSRJBT-VHSXEESVSA-N 237.108 -0.385 50 20 BBGD COCCOC1CN(S(=O)(=O)CCl)C1 707306014 ZVWQLTRSAHWKAO-UHFFFAOYSA-N 243.712 -0.140 50 20 BBGD CC(C)C(=O)NNC(=O)c1cc(C(N)=O)c[nH]1 749332536 BCTXJHJNXMPGOD-UHFFFAOYSA-N 238.247 -0.469 50 20 BBGD COCCCNC(=O)NNC(=O)C[C@H](C)OC 749585314 MYFQILLTROGAIB-QMMMGPOBSA-N 247.295 -0.222 50 20 BBGD CC(=NNC(=O)CN(C)C)c1ccnn1C 766011501 HLTKBKUZKMTRIA-UHFFFAOYSA-N 223.280 -0.178 50 20 BBGD CCOCCONC(=O)NNC(=O)COCC 776195039 NOLTVHIKCFUIQH-UHFFFAOYSA-N 249.267 -0.679 50 20 BBGD COC[C@@H](C)[C@H](C)C(=O)NNC(=O)C(C)(C)O 813530342 PIPNIUSWRLETRA-SFYZADRCSA-N 246.307 -0.177 50 20 BBGD CNC(=O)NNC(=O)[C@@H]1CC(C)=NO1 823429734 DCHHGYWQBDANPO-YFKPBYRVSA-N 200.198 -0.889 50 20 BBGD CCN(CCO)NC(=O)c1c(C)nn(C)c1C 823842535 UTBWXIRDHOGNCZ-UHFFFAOYSA-N 240.307 -0.004 50 20 BBGD C[C@@H](CO)N(C)NC(=O)[C@H]1CCCN1C1CC1 823928302 MNOKUYLTTDOXRT-GXSJLCMTSA-N 241.335 -0.043 50 20 BBGD CCCNC(=O)NNC(=O)[C@@H](O)C1CC1 823952170 WGNNKSKAAORRSP-ZETCQYMHSA-N 215.253 -0.502 50 20 BBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)NCCF 826693187 RYIDZTBICZAQHV-RNFRBKRXSA-N 233.243 -0.289 50 20 BBGD C[C@H]1OCC[C@H]1C(=O)NN=C1COCCOC1 842549163 HQGNHTCVSFPJFG-PSASIEDQSA-N 242.275 -0.070 50 20 BBGD CNC(=S)N(C)NC(=O)c1cc(C)n(C)n1 854926178 WMUQWHRVTSWWMJ-UHFFFAOYSA-N 241.320 -0.191 50 20 BBGD C#CCO[C@H](C)C(=O)NNC(=O)c1cc[nH]n1 855355571 AHAOLNVRNJDLKB-SSDOTTSWSA-N 236.231 -0.791 50 20 BBGD C[C@H]1C[C@@H](C(=O)NNC(=O)c2cn[nH]c2)CO1 862470779 JEZDUSSCRYIPHR-NKWVEPMBSA-N 238.247 -0.404 50 20 BBGD CN(NC(=O)c1cccc(B(O)O)c1)C1CC1 863884822 SMGWSOYNMPMGFJ-UHFFFAOYSA-N 234.064 -0.895 50 20 BBGD C=CCNC(=S)NNC(=O)[C@H]1C[C@@H](O)C1 873766047 WHGOPXVEAUAGDQ-KNVOCYPGSA-N 229.305 -0.561 50 20 BBGD C[C@H](O)CN(C)NC(=O)c1n[nH]c2c1CCC2 910170006 IIVGRINNBXEPMX-ZETCQYMHSA-N 238.291 -0.144 50 20 BBGD CC(C)C(=O)NN=C1CCS(=O)(=O)C1 912796621 ZGVZGUYRPLQPMG-UHFFFAOYSA-N 218.278 -0.067 50 20 BBGD CC(C)NS(=O)(=O)CCNC(=O)CCl 1116434266 OIRKRHXTDMFGHZ-UHFFFAOYSA-N 242.728 -0.331 50 20 BBGD Cn1ccnc(NNC(=O)[C@H]2CCOC2)c1=O 1319052778 NSTBEUMKMLRVEF-ZETCQYMHSA-N 238.247 -0.740 50 20 BBGD CCC(C)(C)NC(=S)NNC(=O)C(=O)OC 1321365980 CRDWVWMWWLJAON-UHFFFAOYSA-N 247.320 -0.157 50 20 BBGD Cn1ncc(Cl)c1C=NNC(=O)CO 1325944182 SENIZMUUGASIRE-UHFFFAOYSA-N 216.628 -0.484 50 20 BBGD CC[C@H]1COCC1=NNC(=O)C(=O)OC 1328011319 YKZSUHFNZOCXBU-LURJTMIESA-N 214.221 -0.312 50 20 BBGD Cc1nocc1C(=O)N1CC[C@@H](B(O)O)C1 1329292326 IIZZKKNLIBWEHI-SSDOTTSWSA-N 224.025 -0.328 50 20 BBGD Cc1ncncc1C(=O)N1CC[C@H](B(O)O)C1 1329670394 AAODZUABWVMMBH-QMMMGPOBSA-N 235.052 -0.526 50 20 BBGD COC(=O)CNC(=O)NN=Cc1csnn1 1337429342 NQGYZSUOYWNDLX-UHFFFAOYSA-N 243.248 -0.656 50 20 BBGD COC(=O)C(=O)NN=C1CN(C(C)C)C[C@@H]1C 1340141856 KPBVWOPPDKEBGL-QMMMGPOBSA-N 241.291 -0.008 50 20 BBGD CO[C@H]1CCC[C@H]1C(=O)NN(C)C(N)=O 1346948784 WQXQDVJCELMOBI-RQJHMYQMSA-N 215.253 -0.157 50 20 BBGD CC(=NNC(=O)[C@H]1CCC(=O)N1)c1ncccn1 1351651854 QEUBHJWRDUSDBH-MRVPVSSYSA-N 247.258 -0.405 50 20 BBGD CN(NC(=O)[C@H](N)CO)C(=O)OC(C)(C)C 1573882892 SHHJLGXLYHSOJW-ZCFIWIBFSA-N 233.268 -0.796 50 20 BBGD CC(C)CC(=O)NNC(=O)NCCCON 1575523896 YEVLYUILEQJOPZ-UHFFFAOYSA-N 232.284 -0.357 50 20 BBGD C=Cn1cc(C=NNC(=O)NCC(=O)O)cn1 1602946168 QBCZOJXZRDNOAA-UHFFFAOYSA-N 237.219 -0.299 50 20 BBGD O=C(CN1CCCC1=O)NNc1ncccn1 44716300 DOAIUNIOUFNVHY-UHFFFAOYSA-N 235.247 -0.458 50 20 BBGD O=C(NNc1ncnc2nc[nH]c12)[C@@H]1CCCO1 156326664 WMSJIJWLROKQTA-LURJTMIESA-N 248.246 -0.025 50 20 BBGD O=C(CO)NNC(=O)C[C@@H]1CCCCO1 182769594 LFKWWFHUZARQFZ-ZETCQYMHSA-N 216.237 -0.915 50 20 BBGD COC(=O)N(C)NC(=O)[C@@H]1COCCO1 286171762 BVHJTWJZNFDCPB-LURJTMIESA-N 218.209 -0.869 50 20 BBGD COc1ncnc(N)c1C=NN(C)C(N)=O 390230024 COTKACAIHCXMLZ-UHFFFAOYSA-N 224.224 -0.588 50 20 BBGD C[C@@H]1C[C@@H]1CNCc1ccc(B(O)O)o1 585016067 QZBXNZUWQAKCFS-HTQZYQBOSA-N 209.054 -0.295 50 20 BBGD CC(C)C[C@@H](O)CNCc1ccc(B(O)O)o1 585025460 UXDCDTACAVHDHG-SECBINFHSA-N 241.096 -0.544 50 20 BBGD C/C=C/C[C@@H](CO)NCc1ccc(B(O)O)cc1 585037072 UQTAZGRXVVNULK-IBUXWKBASA-N 249.119 -0.217 50 20 BBGD CCc1oc(C(=O)NCB(O)O)cc1C 585060621 UMKLWVHXEJEIFF-UHFFFAOYSA-N 211.026 -0.108 50 20 BBGD CNC(=S)NNC(=O)Cc1cccnc1 728799526 SRPWNCOOPYBCGT-UHFFFAOYSA-N 224.289 -0.251 50 20 BBGD CN(C)C(=O)NNC(=O)Cc1cccnc1 728939012 VQEVOALBDXTABV-UHFFFAOYSA-N 222.248 -0.074 50 20 BBGD NNC(=O)NCCOc1ccc2c(c1)OCO2 729918372 KHAWANDUNIQYDG-UHFFFAOYSA-N 239.231 -0.033 50 20 BBGD CCNC(=O)N(C)NC(=O)CCn1ccnn1 768408871 BZLZJIPFEOJSJM-UHFFFAOYSA-N 240.267 -0.639 50 20 BBGD O=C(CO)NN=Cc1cccc2c1OCO2 776777322 OMCPODDTJHYDPU-UHFFFAOYSA-N 222.200 -0.142 50 20 BBGD COC1(CC(=O)NNC(=O)CN(C)C)CCC1 792312581 HGTMVBLJEHCUOY-UHFFFAOYSA-N 243.307 -0.345 50 20 BBGD C[C@H]1COC(=O)C1=NNC(=O)N1CCOCC1 794903441 IVLSVZSLAARJMH-ZETCQYMHSA-N 241.247 -0.423 50 20 BBGD CC[C@](C)(OC)C(=O)NNC(=O)C(C)(C)O 797756938 NQBQOVFOVDHRFB-JTQLQIEISA-N 232.280 -0.280 50 20 BBGD CC(F)(F)C(=O)NNC(=O)C(=O)N1CCCC1 815162048 AVAWCSZVEWBWRA-UHFFFAOYSA-N 249.217 -0.589 50 20 BBGD CCN(CCO)NC(=O)c1c[nH]c(C#N)c1 823873690 GEKZUSASZXGAQZ-UHFFFAOYSA-N 222.248 -0.155 50 20 BBGD C[C@@H](CO)N(C)NC(=O)c1cc(F)cnc1O 823913426 UJFSRQPXFDZKPK-LURJTMIESA-N 243.238 -0.116 50 20 BBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)C#CC1CC1 843967940 TVOXBHWWLJBJNH-PSASIEDQSA-N 236.271 -0.028 50 20 BBGD C#CCO[C@@H](C)C(=O)NN(C)C(=S)NC 854921535 KVMBFXAAXDFVDJ-ZETCQYMHSA-N 229.305 -0.508 50 20 BBGD CC(C)c1nccn1CC(=O)NNC(=O)CO 897312528 HWPBIRJZXJOYPX-UHFFFAOYSA-N 240.263 -0.854 50 20 BBGD CCC(=O)N1CC[C@H](C(=O)NNC(C)=O)C1 1261253352 ZZQZBHJFBVGGLP-QMMMGPOBSA-N 227.264 -0.588 50 20 BBGD Nc1cnnc(NNC(=O)CO)c1Cl 1261776544 WGNZXNOZELDYQH-UHFFFAOYSA-N 217.616 -0.852 50 20 BBGD O=C(Cc1cnc[nH]1)NNC(=O)CC1CC1 1262173813 UNQXHVPLOZXRGN-UHFFFAOYSA-N 222.248 -0.100 50 20 BBGD COCC(=O)NNC(=S)NC[C@@H]1CCOC1 1319496887 VDQIZYDYYZOKOR-ZETCQYMHSA-N 247.320 -0.835 50 20 BBGD Cc1noc(CCC(=O)NN(C)C(N)=O)n1 1319841855 YURZLQGFQQMXTA-UHFFFAOYSA-N 227.224 -0.648 50 20 BBGD O=C(NNC(=O)[C@]1(F)CCOC1)C1CC1 1326636666 PYJDULLRDHPSTC-VIFPVBQESA-N 216.212 -0.328 50 20 BBGD NC(=O)[C@H]1CC[C@H]1C(=O)NNc1cccnn1 1327097722 QQIMDIKTQBEXGL-NKWVEPMBSA-N 235.247 -0.569 50 20 BBGD O=C1NCC[C@@H]1C(=O)NNc1ncc(F)cn1 1328560698 TUTXFRUQCJMVAJ-LURJTMIESA-N 239.210 -0.805 50 20 BBGD CC(=NNC(=O)[C@H]1CCC(=O)N1)c1cnc[nH]1 1329555582 AJUSNANIKLURBD-SSDOTTSWSA-N 235.247 -0.472 50 20 BBGD O=C(CCc1cnn[nH]1)NNC(=O)CC1CC1 1330671517 LRPTXCGUGSCWAR-UHFFFAOYSA-N 237.263 -0.315 50 20 BBGD CC1=NO[C@@](C)(C(=O)NNC(=O)[C@H]2CCN2)C1 1576561461 CABJMPIPRVBOBG-GMSGAONNSA-N 240.263 -0.949 50 20 BBGD C=CC[C@H](NNC(=O)c1cnn(C)c1)C(=O)O 1588749717 PPZFAAYOJHEPBC-QMMMGPOBSA-N 238.247 -0.316 50 20 BBGD CCn1nccc1C=NNC(=O)NCC(=O)O 1597962620 OBFQTDLZNBFODI-UHFFFAOYSA-N 239.235 -0.379 50 20 BBGD O=C(NN[C@H](C(=O)O)C1CC1)c1cccnn1 1601557758 RODSRLBRVVHQLQ-QMMMGPOBSA-N 236.231 -0.426 50 20 BBGD C[C@@H](CO)N(C)NC(=O)[C@H]1C[C@@H](C(=O)O)C1 1604203073 NQAZEPULUJXAGJ-BIIVOSGPSA-N 230.264 -0.559 50 20 BBGD CC(C)(C)OC(=O)n1ccc(B(O)O)n1 169893908 WYFZWYIHBPVOPY-UHFFFAOYSA-N 212.014 -0.654 50 20 BBGD COCCCCNCc1ccc(B(O)O)o1 585015532 DVBJUCRSTVRISO-UHFFFAOYSA-N 227.069 -0.524 50 20 BBGD CC[C@@H](C)[C@@H](O)CNCc1ccc(B(O)O)o1 585023626 KFQGMLASROQIDE-SCZZXKLOSA-N 241.096 -0.544 50 20 BBGD C[C@@H]1CCC[C@@H](OCC(=O)NCB(O)O)C1 585060642 UTQIBAAYPMNHHC-RKDXNWHRSA-N 229.085 -0.290 50 20 BBGD N#CC1(CC(=O)NCB(O)O)CCCCC1 585063012 QMXZMMCYKGKFAL-UHFFFAOYSA-N 224.069 -0.021 50 20 BBGD CC(C)(C)CC(=O)NNC(=O)C1=NNC(=O)C1 732286765 WRPBYWIQGWHSFI-UHFFFAOYSA-N 240.263 -0.554 50 20 BBGD C[C@H]1CN(CC(=O)NNC(=O)C2CC2)CCO1 733193143 FHNHHAHULHRXAK-QMMMGPOBSA-N 241.291 -0.736 50 20 BBGD CN1CC[C@H](C(=O)NNc2cnccn2)C1 734244585 OZODAOBESJYIPO-QMMMGPOBSA-N 221.264 -0.129 50 20 BBGD Cn1cc(C(=O)NN=C2CCOC2)cn1 735410874 AXSSXJNVBSJHBD-UHFFFAOYSA-N 208.221 -0.074 50 20 BBGD C[C@@H](CO)N(C)NC(=O)Cc1cncn1C 823934096 BOFZXNUJRNNZCH-QMMMGPOBSA-N 226.280 -0.694 50 20 BBGD C#CCCCCNC(=O)c1cccc(B(O)O)c1 863876848 LJMKGBXAIHCIOA-UHFFFAOYSA-N 245.087 -0.100 50 20 BBGD CCCNC(=S)NNC(=O)COCCOC 865244382 OFYWQXZHOGEAGA-UHFFFAOYSA-N 249.336 -0.445 50 20 BBGD C[C@]1(C(=O)NCC(N)=O)C[C@@H]1Br 905862942 AUMACRVAVWOFIF-FFWSUHOLSA-N 235.081 -0.239 50 20 BBGD CC[C@H](O)[C@@H](C)C(=O)NN(C)[C@H](C)CO 911444494 FQDAZLHGGNFOBD-HLTSFMKQSA-N 218.297 -0.263 50 20 BBGD Cc1cccc(NNC(=O)[C@@H]2C[C@@H]2C(N)=O)n1 912983283 YYHLAXDUJHUQJJ-JGVFFNPUSA-N 234.259 -0.045 50 20 BBGD CCOCC(=O)NNC(=S)NC(C)C 913445785 LOMTWWCHOMMSTL-UHFFFAOYSA-N 219.310 -0.073 50 20 BBGD O=C1NCCC[C@H]1C(=O)NNc1ccncn1 1118972765 IKRAZVFJKGBKEX-SSDOTTSWSA-N 235.247 -0.554 50 20 BBGD CN(C)C(=O)NNC(=O)c1ccc(C=O)[nH]1 1318954577 PPTBKYXUCODJBU-UHFFFAOYSA-N 224.220 -0.257 50 20 BBGD CNC(=O)NNC(=O)[C@H]1CC12CCOCC2 1319075666 CTVOCIXIWHBCRL-SSDOTTSWSA-N 227.264 -0.237 50 20 BBGD CCO/C=C(/C#N)C(=O)Nc1cc(C(N)=O)[nH]n1 1319891700 KXBXUQPZPCSFLY-WAYWQWQTSA-N 249.230 -0.109 50 20 BBGD COc1ccc(C=NNC(=O)C(N)=O)c(O)c1 1321601444 SLERRZLLURKLFW-UHFFFAOYSA-N 237.215 -0.664 50 20 BBGD Cc1onc(CO)c1C(=O)NNC(=O)C(C)C 1327069452 QBPYMZIXGKVMNL-UHFFFAOYSA-N 241.247 -0.108 50 20 BBGD O=C1CC[C@@H](C(=O)NNC(=O)CC2CC2)CN1 1347747793 CQIGSSYUCSGLOE-MRVPVSSYSA-N 239.275 -0.540 50 20 BBGD COCCN(C)NC(=O)C[C@@H]1CNC[C@H]1C 1579020961 IHORYUOGSRIFBN-NXEZZACHSA-N 229.324 -0.159 50 20 BBGD CCC[C@H](CC)NC(=O)NNC(=O)C(=O)O 1609956511 WWDQETAOLXPHLE-LURJTMIESA-N 231.252 -0.020 50 20 BBGD O=C(CO)NNC(=O)CC1(O)CCCCC1 182761858 JAKRLKMYVGRIAJ-UHFFFAOYSA-N 230.264 -0.789 50 20 BBGD COC(=O)NNC(=O)CCCNC(=O)C1CC1 274273604 HIPBDZSMDIIMNK-UHFFFAOYSA-N 243.263 -0.320 50 20 BBGD CC(C)(O)C(=O)NNC(=O)C1CC=CC1 276278750 PTAVWIOZAHKPLX-UHFFFAOYSA-N 212.249 -0.129 50 20 BBGD COC(=O)NC(C)(C)C(=O)NNC(=O)C(C)C 491190031 HSGFVMFTGOBRHF-UHFFFAOYSA-N 245.279 -0.076 50 20 BBGD CC(C)C[C@H](NC(=O)c1cnccn1)B(O)O 504466220 SRHWLFIUJSPOAC-VIFPVBQESA-N 237.068 -0.367 50 20 BBGD Cc1cc(=NC(=O)NNC(=O)CO)c(C)c[nH]1 757810653 NLCCJHKGHDXZNT-UHFFFAOYSA-N 238.247 -0.735 50 20 BBGD COC[C@@H](CO)NC(=O)NNC(=O)C(C)(C)C 792928511 JHOXRJBILWXFIQ-SSDOTTSWSA-N 247.295 -0.630 50 20 BBGD COCC1(C(=O)NN(C)[C@@H](C)CO)CC1 823940301 WLZPGILOPZHVFM-QMMMGPOBSA-N 216.281 -0.243 50 20 BBGD COCCCC(=O)NN(C)[C@H](C)CO 823971635 XMCDWIMLTXMYDL-MRVPVSSYSA-N 204.270 -0.243 50 20 BBGD CC[C@H](NNC(=O)[C@H]1CCO[C@H]1C)C(=O)OC 843288780 HDXMWACHMACBEP-CIUDSAMLSA-N 244.291 -0.016 50 20 BBGD COCCNC(=O)NNC(=O)c1ccc[nH]1 915879311 REYJZKBMIIUULC-UHFFFAOYSA-N 226.236 -0.395 50 20 BBGD CCc1ccc(C(=O)NNC(=O)C(N)=O)cc1 917358859 VLSFUAJRGYBLMP-UHFFFAOYSA-N 235.243 -0.505 50 20 BBGD O=C(NNC(=O)C1CC1)c1cc(=O)cc[nH]1 929229403 AJNINOLKKVHAOI-UHFFFAOYSA-N 221.216 -0.454 50 20 BBGD Cn1nncc1NNC(=O)C1=COCCO1 1117724138 UZEDQNRMTFACAV-UHFFFAOYSA-N 225.208 -0.854 50 20 BBGD Cn1ccnc(NNC(=O)[C@@H]2CCCO2)c1=O 1252518827 OELKHJNTEQAFQP-ZETCQYMHSA-N 238.247 -0.598 50 20 BBGD C[C@H](NNC(=O)Cc1nc[nH]n1)C(F)(F)F 1261878172 FMODUQZEUAONAR-BYPYZUCNSA-N 237.185 -0.081 50 20 BBGD CC(C)C(=O)NNC(=O)CC1COC1 1331901144 SECXAWGLVRGLSA-UHFFFAOYSA-N 200.238 -0.174 50 20 BBGD O=C(NNc1nc[nH]n1)[C@@H]1CCc2c[nH]nc2C1 1343972700 KQZDFHDAZJTOBZ-ZCFIWIBFSA-N 247.262 -0.224 50 20 BBGD C[C@H](CO)N(C)NC(=O)CCCCC(=O)O 1589073409 MVPMMZGIFXRMOB-MRVPVSSYSA-N 232.280 -0.025 50 20 BBGD O=C(O)C(=O)NNc1nc(-c2cccnc2)no1 1605891210 KUACYTNBTZWPHR-UHFFFAOYSA-N 249.186 -0.341 50 20 BBGD O=C(O)C[C@H]1CN(C(=O)CCl)CCO1 1610763900 NQZSIWGMZKKGAV-LURJTMIESA-N 221.640 -0.073 50 20 BBGD CCCN(CC(=O)NC)S(=O)(=O)CCl 82512942 YMGXAQJIFVWPLW-UHFFFAOYSA-N 242.728 -0.030 50 20 BBGD COC(=O)NNC(=O)c1c[nH]c(C#N)c1 495367944 VRCUMJWKLBELSQ-UHFFFAOYSA-N 208.177 -0.113 50 20 BBGD C[C@@H]1C[C@H]1CNC(=O)c1cccc(B(O)O)c1 584929771 PRWATIUESKMWFL-SCZZXKLOSA-N 233.076 -0.248 50 20 BBGD O=C(NNC(=O)[C@H]1C[C@@H]1C(=O)O)C1CCC1 739453355 GFSSSKLLRONSPL-BQBZGAKWSA-N 226.232 -0.345 50 20 BBGD CN(C)C(=O)NNC(=O)CSCC(=O)O 739600583 RARWDUDYCPWWTK-UHFFFAOYSA-N 235.265 -0.893 50 20 BBGD CS/C=C\C(=O)NNC(=O)C(=O)NC(C)C 751564421 CCSQJDUQFPRPIW-PLNGDYQASA-N 245.304 -0.465 50 20 BBGD NC(=O)c1csc(C=NNC(=O)CO)c1 776781670 HEDNJILAZBTEIP-UHFFFAOYSA-N 227.245 -0.711 50 20 BBGD C#CCOCCNC(=O)NNc1cccnn1 784547853 AFQHZFCHNLZLPM-UHFFFAOYSA-N 235.247 -0.248 50 20 BBGD CCOCC1(C(=O)NNC(=O)NC)CC1 799578329 ULEXCXJTDFNAHH-UHFFFAOYSA-N 215.253 -0.237 50 20 BBGD C[C@H](CO)N(C)NC(=O)c1ccc2nc[nH]c2n1 823940290 WJKWNZSTIVRPPE-SSDOTTSWSA-N 249.274 -0.085 50 20 BBGD CC(C)c1nocc1C(=O)NNC(=O)CO 863903778 TUSJTSMDSKCYCN-UHFFFAOYSA-N 227.220 -0.449 50 20 BBGD COC(=O)N(C)NC(=O)c1cnc(O)n1C 868240995 MMRQFZRDQSTQJL-UHFFFAOYSA-N 228.208 -0.531 50 20 BBGD CNC(=O)NNC(=O)c1cc2n(n1)CCCO2 1116772546 XGRKSRGWYXJZHS-UHFFFAOYSA-N 239.235 -0.761 50 20 BBGD CC(=O)NNC(=O)c1c(C)ccnc1O 1330505179 RZJIPCFLOCHOKL-UHFFFAOYSA-N 209.205 -0.123 50 20 BBGD CC(C)(O)C(=O)NN=Cc1ccc(C(=O)O)[nH]1 1590882847 QMDXJHGKCBQAMR-UHFFFAOYSA-N 239.231 -0.066 50 20 BBGD CC[C@H](C(=O)O)C(=O)NNC(=O)NC 1594755839 UXHIDFWCCKMKBN-BYPYZUCNSA-N 203.198 -0.943 50 20 BBGD CCOCC(=O)NN[C@@H](CC)C(=O)O 1596862599 ZLZQWVMXFRKMAE-LURJTMIESA-N 204.226 -0.493 50 20 BBGD Cc1cc(C(=O)NNC(=O)NC2CC2)[nH]n1 49128516 ZGZALLRRJHDQDD-UHFFFAOYSA-N 223.236 -0.175 50 20 BBGD CC(C)OCCC(=O)NNC(=O)CN(C)C 113426683 IUJWMJWLNWPJMO-UHFFFAOYSA-N 231.296 -0.490 50 20 BBGD Cc1ccc(CC(=O)NNC(=O)CO)cc1O 182740165 FBYAVCYJRJBQRZ-UHFFFAOYSA-N 238.243 -0.617 50 20 BBGD C[C@@H](Cn1ccnc1)NCc1ccc(B(O)O)o1 585017645 GKIVFSJIIKRWJB-VIFPVBQESA-N 249.079 -0.666 50 20 BBGD C[C@H](CNCc1ccccc1B(O)O)N(C)C 585032889 PPTFLUYCSMMAKL-SNVBAGLBSA-N 236.124 -0.594 50 20 BBGD CC(=O)NN[C@H](C(N)=O)c1ccc(F)cc1 727462578 NDAUUWRYKYFZJZ-VIFPVBQESA-N 225.223 -0.007 50 20 BBGD CNC(=O)NNC(=O)c1cnn2ccccc12 735040940 ZUQNJPIFNHQIRO-UHFFFAOYSA-N 233.231 -0.092 50 20 BBGD O=C(NNc1ncnc2[nH]cnc12)[C@@H]1CCOC1 740746708 GFFGSLCXSZTXRF-ZCFIWIBFSA-N 248.246 -0.168 50 20 BBGD CN(C)CC(=O)NNC(=O)COC1(C)CCC1 746293806 LEHYHKZKBNBOGQ-UHFFFAOYSA-N 243.307 -0.345 50 20 BBGD C[C@H]1C[C@H]1C(=O)NNc1nccn(C)c1=O 747942582 YDWSLSQJMODYKV-NKWVEPMBSA-N 222.248 -0.121 50 20 BBGD CCC(=O)NNC(=O)[C@@H](C)N1CC[C@](C)(O)C1 748832928 LHEPRYJALHFUJX-KCJUWKMLSA-N 243.307 -0.611 50 20 BBGD CCOC(=O)c1ccc(C=NNC(=O)CO)o1 776779568 NVYWYACAZNUMOG-UHFFFAOYSA-N 240.215 -0.101 50 20 BBGD C[C@H](CO)N(C)NC(=O)c1ncccc1O 823934786 KESPFSJWBQVWLJ-SSDOTTSWSA-N 225.248 -0.255 50 20 BBGD C[C@@]1(C(=O)NNC(=O)c2ncon2)CC1(F)F 832825689 DUBPKZURQLVZFY-ZETCQYMHSA-N 246.173 -0.124 50 20 BBGD CC(=NNC(=O)[C@H]1CCC(=O)N1)c1ccn(C)n1 863151802 UNTVKRZQFYOEDP-SECBINFHSA-N 249.274 -0.461 50 20 BBGD Cn1nc(C(=O)O)cc1C=NNC(=O)C(F)F 901217999 VYKKYZDBUCJSQL-UHFFFAOYSA-N 246.173 -0.167 50 20 BBGD COC(=O)N(C)NC(=O)NC[C@H]1CCN1C 925432173 UOANKUFZLFLKFD-SSDOTTSWSA-N 230.268 -0.397 50 20 BBGD O=C(NNC(=O)c1cncnc1)NC1CC1 1116581469 RUHHCFILHPPSFZ-UHFFFAOYSA-N 221.220 -0.417 50 20 BBGD C[C@H](O)c1cn(CC(=O)NN(C)C2CC2)nn1 1118153808 GXOHEAMOCFLDNE-ZETCQYMHSA-N 239.279 -0.543 50 20 BBGD NC(=O)C1(C(=O)NNC(=O)C2CCC2)CC1 1251772663 YEZOXVIBDZCGEB-UHFFFAOYSA-N 225.248 -0.801 50 20 BBGD CC(=O)NNC(=O)CC1CCOCC1 1323970418 BSNLBPNAENQQFG-UHFFFAOYSA-N 200.238 -0.030 50 20 BBGD CC#CCNC(=O)NNC(=O)[C@H]1CCO[C@@H]1C 1325974851 HRAXJKARWGWYMX-BDAKNGLRSA-N 239.275 -0.235 50 20 BBGD NNC(=O)c1c[nH]c(C(=O)N2CCCC2)c1 1326627791 RQAOBOZLMZTAAR-UHFFFAOYSA-N 222.248 -0.146 50 20 BBGD COC(=O)C(=O)NN=C(C)c1nccnc1C 1343292360 VAPYBHFLGXQYNV-UHFFFAOYSA-N 236.231 -0.202 50 20 BBGD O=C(NNC(=O)[C@H]1C[C@@H]1F)C(=O)N1CCCC1 1345832067 GGQOGWUFWXJENN-BQBZGAKWSA-N 243.238 -0.886 50 20 BBGD Cn1nncc1NNC(=O)C1(F)CCOCC1 1352944816 MRNDTEPCEVQULU-UHFFFAOYSA-N 243.242 -0.223 50 20 BBGD C[C@@H](NS(=O)(=O)CCl)C(=O)O 1594208610 COFDVSXGWCLEFN-GSVOUGTGSA-N 201.631 -0.425 50 20 BBGD CCOCC(=O)NN[C@@H](C(=O)O)C1CC1 1610035061 JOLZRPBHOLYZLN-MRVPVSSYSA-N 216.237 -0.493 50 20 BBGD COC(=O)NCC(=O)NNC(=O)C1CCCC1 48891843 ASOKUFGHJQVPEA-UHFFFAOYSA-N 243.263 -0.320 50 20 BBGD CSc1ccc(C(=O)NNC(=O)CO)o1 182761313 CAAPCJQQZTWPKS-UHFFFAOYSA-N 230.245 -0.245 50 20 BBGD CCO[C@H](C)CNCc1ccc(B(O)O)cc1 585033058 WGHPWBUOTUMMKY-SNVBAGLBSA-N 237.108 -0.119 50 20 BBGD O=S(=O)(NCB(O)O)c1cccs1 585054707 QLLDNRPIPRPHSR-UHFFFAOYSA-N 221.068 -0.962 50 20 BBGD CC[C@H](C)C(=O)NNC(=S)NCC(N)=O 727076629 ITFJMOVSBJECGR-YFKPBYRVSA-N 232.309 -0.987 50 20 BBGD C/C=C/C(=O)NNC(=O)C(=O)N1CCCC1 737822827 LTXFPYCYDRMDQT-GORDUTHDSA-N 225.248 -0.668 50 20 BBGD CCN(CCO)CC(=O)NNC(=O)C(C)(C)C 744388047 ZGQOUIJUVNONGP-UHFFFAOYSA-N 245.323 -0.506 50 20 BBGD CN(C)C(=O)NNC(=O)C1(O)CCCC1 754993685 HGXCSSLDZMNDMJ-UHFFFAOYSA-N 215.253 -0.406 50 20 BBGD CCc1nnc(NC(=O)NNC(=O)CO)s1 755404062 ACOYXECVWPGWEF-UHFFFAOYSA-N 245.264 -0.755 50 20 BBGD CN(NC(=O)CCOCC(F)(F)F)C(N)=O 770439632 QEYYXPDCUCAZMV-UHFFFAOYSA-N 243.185 -0.003 50 20 BBGD NC(=O)NCCC(=O)NNc1ccnc(F)c1 781365501 RIVVQVXODPYGEZ-UHFFFAOYSA-N 241.226 -0.278 50 20 BBGD CC(C)NC(=O)NNC(=O)CC(C)(C)O 792106610 YECNZIHTFFHLTF-UHFFFAOYSA-N 217.269 -0.114 50 20 BBGD CNC(=O)NN=C1CCS(=O)(=O)CC1 814814189 APFPNGNYHXHMCJ-UHFFFAOYSA-N 219.266 -0.520 50 20 BBGD CC(=O)NN[C@@H](C(N)=O)c1ccccc1 844256199 GZESQUVFZFVGJR-SECBINFHSA-N 207.233 -0.146 50 20 BBGD CCC[C@@H](C)C(=O)NNC(=O)[C@H]1CCC(=O)N1 862455833 RNHFQCDEEXVBCD-HTQZYQBOSA-N 241.291 -0.151 50 20 BBGD COC1CC(C(=O)NN(C)C[C@@H](C)O)C1 910138574 CAZVWPPQMILGFA-AFPNSQJFSA-N 216.281 -0.245 50 20 BBGD CCCOCC(=O)NNC(=O)NCCCOC 920888624 TUKPRIMGXPGYNI-UHFFFAOYSA-N 247.295 -0.220 50 20 BBGD O=C(c1cnc2n1CCC2)N1CC[C@@H](B(O)O)C1 1118974606 IGZSBWUCYDWICV-MRVPVSSYSA-N 249.079 -0.482 50 20 BBGD Nc1ncc2c(n1)CCCC2=NNC(=O)CCO 1261236569 OMNWMHWSPCDLDE-UHFFFAOYSA-N 249.274 -0.402 50 20 BBGD Cn1nncc1NNC(=O)[C@@H]1CCCOC1 1261246000 XOCGBWSJGJVQLA-SSDOTTSWSA-N 225.252 -0.315 50 20 BBGD CC(=O)NNC(=O)Cc1c(C)nn(C)c1C 1320267765 RSQCRCGKTCSUME-UHFFFAOYSA-N 224.264 -0.253 50 20 BBGD Cc1ncc(NC(=O)NNC(=O)CCO)cn1 1325583866 YZTUAWWORIGRQX-UHFFFAOYSA-N 239.235 -0.680 50 20 BBGD C[C@@H](O)[C@H](N)C(=O)NNc1ccc(F)cc1 1574086225 GRSGPKSEDPNWPH-MUWHJKNJSA-N 227.239 -0.023 50 20 BBGD CC(C)C(=O)NNC(=O)[C@]1(C(=O)O)C[C@H]1C 1588799442 HZZHWKCRCSGLMN-LDWIPMOCSA-N 228.248 -0.099 50 20 BBGD CCOC(=O)NNC(=O)[C@@H](C)n1cncn1 45885671 ILJGSCMREAOQPK-ZCFIWIBFSA-N 227.224 -0.384 50 20 BBGD CCC1(C(=O)NNC(=O)CO)CCC1 182771090 AHUCXLVRUNQAMU-UHFFFAOYSA-N 200.238 -0.294 50 20 BBGD C[C@]1(CNCc2ccc(B(O)O)cc2)CCOC1 585023266 IYCALFDAMNOLDD-CYBMUJFWSA-N 249.119 -0.117 50 20 BBGD CC[C@H](COC)NCc1ccccc1B(O)O 585025429 UIOOAEDOIZYNQH-LLVKDONJSA-N 237.108 -0.119 50 20 BBGD CC(C)n1cc(CN2CC[C@@H](B(O)O)C2)nn1 585075912 KDYRTDJIVZQVNH-SECBINFHSA-N 238.100 -0.092 50 20 BBGD CC(=NNC(=O)C(N)=O)c1cnccc1C 771552698 IKEUCRZSIZHDOU-UHFFFAOYSA-N 220.232 -0.284 50 20 BBGD CC(=O)NNS(=O)(=O)c1cnn(C(C)C)c1 775249414 NFZMGZJQKWDKOP-UHFFFAOYSA-N 246.292 -0.207 50 20 BBGD CC(=NNC(=O)CN1CCCC1=O)c1ncc[nH]1 790152003 XTEBUYFAIMDZDW-UHFFFAOYSA-N 249.274 -0.128 50 20 BBGD Cc1nc2cc(C(=O)NNC(=O)CO)ccc2o1 792657548 GOUIEJNJHPZQCQ-UHFFFAOYSA-N 249.226 -0.110 50 20 BBGD COCCOCCC(=O)NN(C)CCOC 808075166 SDVBURYBUIVOHQ-UHFFFAOYSA-N 234.296 -0.351 50 20 BBGD Cn1ncc(C=NNC(=O)NCC2CC2)n1 814818315 MQDRJRNTSRPFEN-UHFFFAOYSA-N 222.252 -0.142 50 20 BBGD CCN(CCO)NC(=O)CCc1ccn(C)n1 823884722 HMAQWIDKAJBMLQ-UHFFFAOYSA-N 240.307 -0.302 50 20 BBGD Cc1cc(C(=O)NN(C)[C@H](C)CO)ncn1 823947427 XYBIQVPEYDFIJC-MRVPVSSYSA-N 224.264 -0.258 50 20 BBGD Cn1cccc1C=NNC(=O)[C@H]1CCC(=O)N1 863147090 YBHALMPAQQMEIZ-SECBINFHSA-N 234.259 -0.246 50 20 BBGD CCOC(=O)NNC(=O)[C@@H]1[C@@H]2CCC(=O)[C@H]21 905070374 DXFPYZGWHJZCTR-MHSYXAOVSA-N 226.232 -0.011 50 20 BBGD C[C@H](O)CN(C)NC(=O)C[C@@H]1CCCC(=O)N1 910146459 DRGJJHGMZLQECM-IUCAKERBSA-N 243.307 -0.611 50 20 BBGD CC[C@H](C(=O)NN(C)C[C@H](C)O)C(=O)OC 910153727 UJUFFMJIPVBBON-JGVFFNPUSA-N 232.280 -0.471 50 20 BBGD CC[C@](C)(O)C(=O)NNC(=O)c1ccc[nH]1 929424604 URALNWFMYQLEFM-JTQLQIEISA-N 225.248 -0.063 50 20 BBGD Cn1nncc1NNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 1261773269 YXPDDENABOGCGO-PRJMDXOYSA-N 237.263 -0.174 50 20 BBGD O=C(NNC(=O)[C@@]1(F)CCOC1)C1CC1 1326636664 PYJDULLRDHPSTC-SECBINFHSA-N 216.212 -0.328 50 20 BBGD CCNC(=O)NNC(=O)c1ccnnc1C 1335590578 UYDKHHCLRIEFTR-UHFFFAOYSA-N 223.236 -0.251 50 20 BBGD COCC[C@H](N)C(=O)NN(C)C1CC1 1574082351 DTRLZDGEEORIRX-QMMMGPOBSA-N 201.270 -0.524 50 20 BBGD C[C@H](CC(=O)O)C(=O)NNc1cnnn1C 1592360252 QDGZQQHPZAZOGU-RXMQYKEDSA-N 227.224 -0.631 50 20 BBGD CC(=O)NNC(=O)CCN1C[C@H](C)O[C@@H](C)C1 122474719 PANQHNDRZIFNSX-IUCAKERBSA-N 243.307 -0.347 50 20 BBGD Cc1cc(C(=O)NNC(=O)C(C)(C)O)ns1 277871894 CYKNHEVLRDKHNO-UHFFFAOYSA-N 243.288 -0.017 50 20 BBGD COc1cc(C)nc(NNC(=O)[C@@H](C)CN)n1 285775294 MJHCLXGZOOPWCW-LURJTMIESA-N 239.279 -0.168 50 20 BBGD COC[C@](C)(O)C(=O)NN(C)C(=O)OC 495693974 WAFSWSVKSNTMQC-QMMMGPOBSA-N 220.225 -0.887 50 20 BBGD C[C@]1(C(=O)Nc2cccc(B(O)O)c2)CCOC1 584913820 KFGXWNWMYQXNIZ-LBPRGKRZSA-N 249.075 -0.269 50 20 BBGD OB(O)c1ccc(CNCC23CC(CO2)C3)o1 585049253 MTMGGZHFVOEBQB-UHFFFAOYSA-N 237.064 -0.772 50 20 BBGD CCCCNC(=O)NNC(=O)C(C)(C)O 756812647 ODCXVWPEUBVEKQ-UHFFFAOYSA-N 217.269 -0.112 50 20 BBGD CCC(=O)NNC(=O)[C@@H](C)N(C)C1CC(O)C1 759874209 XTOZHXWNUQSWBA-AFPNSQJFSA-N 243.307 -0.613 50 20 BBGD Cc1cc(C(=O)NN=C2CCN(C)C2=O)n[nH]1 761827498 HZGKDNWVRYOOON-UHFFFAOYSA-N 235.247 -0.334 50 20 BBGD CC(C)[C@@H](F)C(=O)NNC(=O)C(C)(C)O 768245910 ZKUHTIMSSGYDON-ZCFIWIBFSA-N 220.244 -0.101 50 20 BBGD C=C[C@@H](O)C(=O)NNc1nccc(OC)n1 816859500 BCHCGFJDFIRVEJ-ZCFIWIBFSA-N 224.220 -0.525 50 20 BBGD CN(NC(=O)[C@H]1COCCO1)C1CC1 819646036 ZAGTUFQCCLMFOV-MRVPVSSYSA-N 200.238 -0.473 50 20 BBGD CN(C)C1(C(=O)NNC(=O)NC2CC2)CC1 823768068 NQFVJCOTLIIOII-UHFFFAOYSA-N 226.280 -0.427 50 20 BBGD CCN(CCO)NC(=O)[C@@H]1C[C@H]2CC[C@H]1O2 823860452 SMKKFBPSNKTQJM-OPRDCNLKSA-N 228.292 -0.101 50 20 BBGD CCNC(=O)N(C)NC(=O)C1(N)CCC1 831945521 RFQRBMOLIREGQQ-UHFFFAOYSA-N 214.269 -0.440 50 20 BBGD CC#CC(=O)NNC(=O)[C@H]1CCO[C@H]1C 843973596 YSBDVWMQHXQTGV-YUMQZZPRSA-N 210.233 -0.418 50 20 BBGD CC(C)(C#N)C(=O)NNC(=O)c1cc[nH]n1 855359630 YTOQXWSDRSQPPH-UHFFFAOYSA-N 221.220 -0.280 50 20 BBGD COCCN(C)NC(=O)c1nc(C)no1 883129250 NGVBHDFZADGDRB-UHFFFAOYSA-N 214.225 -0.399 50 20 BBGD CC(=O)N(C)CC(=O)NNc1ccc(C#N)cn1 899663608 GGXYMUXUZLUFJP-UHFFFAOYSA-N 247.258 -0.125 50 20 BBGD CC[C@@H](OC)C(=O)NN(C)C[C@@H](C)O 910168004 LTBRMELOQPECHC-HTQZYQBOSA-N 204.270 -0.245 50 20 BBGD CC(C)C(=O)NNC(=O)CN1CCCNC1=O 915618332 HHRSTXSMKMTHGR-UHFFFAOYSA-N 242.279 -0.795 50 20 BBGD CNC(=O)NNC(=O)c1ccc([N+](=O)[O-])n1C 919877604 BFBWUXLGOJBNOH-UHFFFAOYSA-N 241.207 -0.493 50 20 BBGD CC(=O)NNC(=O)[C@H]1CC(=O)N(C(C)(C)C)C1 920430609 TYKABDGQOSRMRA-QMMMGPOBSA-N 241.291 -0.199 50 20 BBGD O=C(NNc1ncnc2[nH]cnc12)c1cnn[nH]1 1318778904 SREGZKKEHWYNJX-UHFFFAOYSA-N 245.206 -0.772 50 20 BBGD COC(OC)C(=O)NNc1ccncn1 1330260850 HNHXLTLWEVLWST-UHFFFAOYSA-N 212.209 -0.461 50 20 BBGD CCN(CCO)NC(=O)CCc1cnccn1 1336011372 QQFCSFHIOQGHFM-UHFFFAOYSA-N 238.291 -0.245 50 20 BBGD CC(C)c1nccnc1NNC(=O)[C@@H](N)CO 1573532806 BPGOTGKWYCKRFB-ZETCQYMHSA-N 239.279 -0.637 50 20 BBGD CC[C@@H](C(=O)O)C(=O)NNC(=O)N(C)C 1594755699 PNFOUFYJYFUCMI-RXMQYKEDSA-N 217.225 -0.600 50 20 BBGD Cc1cc(C(=O)NNC(=O)CO)c(C)o1 136076948 LEZUMJDVOKBVKK-UHFFFAOYSA-N 212.205 -0.350 50 20 BBGD CN1CCC[C@@H]1C(=O)NNC(=O)c1ccccn1 299560625 SDZJLSYUHCVJBR-SNVBAGLBSA-N 248.286 -0.063 50 20 BBGD COC[C@@H](NCc1cccc(B(O)O)c1)C1CC1 585029512 GJDJUXMUWNFLGW-CYBMUJFWSA-N 249.119 -0.119 50 20 BBGD COC[C@@H](NCc1ccc(B(O)O)cc1)C1CC1 585030025 OCIVNPTZUSCYPG-CYBMUJFWSA-N 249.119 -0.119 50 20 BBGD OB(O)c1cccc(CN[C@@H]2C[C@H]3CC[C@@H]2O3)c1 585045486 INARLJIVGXLJMU-UPJWGTAASA-N 247.103 -0.224 50 20 BBGD CCCCNC(=O)NNC(=O)[C@H]1CCC(=O)N1 729845401 ZGUCKIDTWGXRTQ-SSDOTTSWSA-N 242.279 -0.605 50 20 BBGD CCN(C)S(=O)(=O)NNC(=O)C1CCC1 746055380 ICJCKBOODPGSMW-UHFFFAOYSA-N 235.309 -0.396 50 20 BBGD CC[C@H]1CC[C@@H](C(=O)NN(C)C(N)=O)O1 778416883 KHDUDPIGDVMYJP-BQBZGAKWSA-N 215.253 -0.014 50 20 BBGD O=C(CC1OCCO1)NNc1ncncc1F 817083860 VZFYOLVOUCTTTL-UHFFFAOYSA-N 242.210 -0.178 50 20 BBGD COCCOCC(=O)NNC(=O)CC1CC1 819110106 TXTLVCMSSJUBTR-UHFFFAOYSA-N 230.264 -0.403 50 20 BBGD CC(C)[C@](C)(O)C(=O)NN(C)[C@@H](C)CO 823934368 FXGLDFLIGQVQDZ-WPRPVWTQSA-N 218.297 -0.263 50 20 BBGD C[C@H]1NCC[C@H]1C(=O)NNc1ncccn1 826726422 QNVJGUKLZKGUDN-HTQZYQBOSA-N 221.264 -0.082 50 20 BBGD CNC(=O)NNC(=O)[C@@H]1CCC[C@H](C(=O)O)C1 831001063 UAWJEZAECOXGBN-RQJHMYQMSA-N 243.263 -0.162 50 20 BBGD O=C(CN1CCNCC1=O)NNc1ccccc1 831741293 KZOMTBNFJGDNST-UHFFFAOYSA-N 248.286 -0.439 50 20 BBGD CC(C)NC(=O)NNC(=O)[C@@H]1CC[C@@H]1C(N)=O 847401615 IRUWBILFEXTIGE-NKWVEPMBSA-N 242.279 -0.763 50 20 BBGD COCCN(C)NC(=O)[C@H](O)C1CC1 854412813 MXLUFDDZUPVRTR-MRVPVSSYSA-N 202.254 -0.633 50 20 BBGD CNC(=S)N(C)NC(=O)[C@@H]1CCCOC1 854924326 UURASWXSFAZYNB-SSDOTTSWSA-N 231.321 -0.120 50 20 BBGD CNC(=S)N(C)NC(=O)c1snnc1C 854927790 HHFGFQXZKTYASO-UHFFFAOYSA-N 245.333 -0.073 50 20 BBGD O=C(NCC(=O)C1CC1)c1ccc(B(O)O)cc1 863877805 GCDWGPPIHDMZGW-UHFFFAOYSA-N 247.059 -0.925 50 20 BBGD C[C@@H](O)CN(C)NC(=O)c1ccc(=O)n(C)c1 910171439 WUPUYFDZBRCWQJ-MRVPVSSYSA-N 239.275 -0.657 50 20 BBGD CC(=O)NNC(=O)Cc1ccc2c(c1)NC(=O)C2 1117738837 TYAVFNOSBPPZLW-UHFFFAOYSA-N 247.254 -0.109 50 20 BBGD O=C([C@@H]1CCCO1)N1CC[C@@H](B(O)O)C1 1118916148 LFEIIJZKMJEIEW-SFYZADRCSA-N 213.042 -0.759 50 20 BBGD COc1cccc(C=NNC(=O)C(N)=O)c1O 1317712869 VEEJDEASABEHCV-UHFFFAOYSA-N 237.215 -0.664 50 20 BBGD CC(C)C(=O)NNC(=O)C1(O)CCOCC1 1320492337 QAVAWBDBHSBYPY-UHFFFAOYSA-N 230.264 -0.669 50 20 BBGD COC[C@@H](OC)C(=O)NNC(=S)NC(C)C 1328614264 CVJPMZCHBKPAAO-SSDOTTSWSA-N 249.336 -0.449 50 20 BBGD C[C@H](O)CN(C)NC(=O)CCc1ncccn1 1332148593 NEXUWVXPSUTNSM-VIFPVBQESA-N 238.291 -0.247 50 20 BBGD CCNC(=O)NNC(=O)c1ccc(=O)n(C)c1 1332332856 NTZDABGEQFCMBQ-UHFFFAOYSA-N 238.247 -0.651 50 20 BBGD Cc1cc(C)nc(NNC(=O)C[C@@H](O)CN)n1 1579590175 IEXBXYFQPMWCDI-MRVPVSSYSA-N 239.279 -0.754 50 20 BBGD O=C(O)C(=O)NN=Cc1ccc(O)c(O)c1 1601635278 CVRZQFDTJUOWSX-UHFFFAOYSA-N 224.172 -0.368 50 20 BBGD