smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features Cc1cccc(NS(=O)(=O)c2ccc(B(O)O)cc2)c1 169744088 KKNWGIFWNSPQMK-UHFFFAOYSA-N 291.137 0.476 50 50 CCGA OB(O)c1cc(F)ccc1COCC(F)(F)F 199002045 BJWGTAZDHFABBR-UHFFFAOYSA-N 251.972 0.584 50 50 CCGA CN(C)CCOc1cc(B(O)O)c(Cl)cc1Cl 169934414 UTMSRBAESHGWBY-UHFFFAOYSA-N 277.944 0.614 50 50 CCGA in-vitro C/C(=N\NC(=O)c1ccnn1C)c1cc(O)ccc1O 5289542 PYMHEBWQNLHYRW-OVCLIPMQSA-N 274.280 0.985 50 50 CCGA CCC1(CCBr)C(=O)NC(=O)NC1=O 1678949 LJVTYPFTOBMROG-UHFFFAOYSA-N 263.091 0.534 50 50 CCGA in-vitro N#C/C(N)=C(/C#N)N=Cc1ccc(OCC(=O)O)cc1 245240520 YVNRTMSCNOYYLL-SKHZYUMGSA-N 270.248 0.786 50 50 CCGA C[C@@H](Cl)C(=O)N1CCCN(C(=O)[C@H]2CCCO2)CC1 1875364916 YAOANYHRAPEMQH-GHMZBOCLSA-N 288.775 0.854 50 50 CCGA C=CCNC(=O)C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1 2892210 JOOVXALUGBBWRD-RIYZIHGNSA-N 276.252 0.347 50 50 CCGA OB(O)c1c(Cl)cc(F)cc1Br 1775955622 LKRGPIROOZWFBW-UHFFFAOYSA-N 253.263 0.921 50 50 CCGA O=S(=O)(Nc1ccccc1F)c1cccc(B(O)O)c1 169744245 CSHNEUKEFGIIOZ-UHFFFAOYSA-N 295.100 0.306 50 50 CCGA Cc1c(Cl)cccc1NC(=O)NNC(=O)C(N)=O 2851617 NSHGVZOBFIGFFU-UHFFFAOYSA-N 270.676 0.286 50 50 CCGA C[C@@]1(c2ccccc2)C[C@@H]1C(=O)NNC(=O)CCC(=O)O 3141597 LGNOWUHVQARTSS-ABAIWWIYSA-N 290.319 0.976 50 50 CCGA CC(C)N(C(=O)c1ccncc1B(O)O)C(C)C 169747617 WXLFOUSVUPJCSH-UHFFFAOYSA-N 250.107 0.020 50 50 CCGA in-vitro O=C([C@H]1Cc2cccc(F)c2O1)N1CC[C@@H](B(O)O)C1 585138721 MQJSTOPODVPVEK-MWLCHTKSSA-N 279.076 0.205 50 50 CCGA O=C(CCl)NCC[C@]1(O)C(=O)Nc2ccccc21 1875375153 SFJQRJBQOMPAQC-GFCCVEGCSA-N 268.700 0.571 50 50 CCGA CN(Cc1ccccc1)C(=O)c1ccc(B(O)O)cc1F 169744181 MXNIZELSJHCBRG-UHFFFAOYSA-N 287.099 0.778 50 50 CCGA COC(=O)C[C@H](Br)C(=O)C(=O)OC 69476420 MILNARYFLZZSHA-BYPYZUCNSA-N 253.048 0.055 50 50 CCGA in-vitro CC(C)(C)OC(=O)c1cc(F)c(B(O)O)c(F)c1 575442759 WCXDDLZEFHIJBE-UHFFFAOYSA-N 258.029 0.600 50 50 CCGA CCOC(=O)CNC(=O)NNC(=O)Cc1ccccc1 2167624 QGNZOQVRZQMJLC-UHFFFAOYSA-N 279.296 0.123 50 50 CCGA CN(C)C(=O)c1cnn2c1[C@@H](CNC(=O)CCl)CCC2 1875374915 JPDRIKKFRFKDFN-SECBINFHSA-N 298.774 0.817 50 50 CCGA COc1c(NC(=O)OC(C)(C)C)cccc1B(O)O 390825434 XVAVIHWWFSSREL-UHFFFAOYSA-N 267.090 0.722 50 50 CCGA Cc1nc(C)n(C[C@@H]2CN(C(=O)[C@H](C)Cl)CCO2)n1 1875364759 SWEZOXKQVGZOAQ-KWQFWETISA-N 286.763 0.750 50 50 CCGA CC(C)NS(=O)(=O)[C@H]1CCN(C(=O)[C@H](C)Cl)C1 1875364477 RXQVTMQWQJNCSW-IUCAKERBSA-N 282.793 0.542 50 50 CCGA CC(=O)Nc1ccc(C(=O)NNC(=O)C(F)(F)F)cc1 267561 MTZBLQCMLMBCFB-UHFFFAOYSA-N 289.213 0.968 50 50 CCGA Cc1ncc(CNC(=O)N(CCCl)N=O)c(N)n1 3979156 VFEDRRNHLBGPNN-UHFFFAOYSA-N 272.696 0.799 50 50 CCGA world Cc1nn(Cc2ccc(C(=O)NN)o2)c(C)c1[N+](=O)[O-] 375605 IEHIISLXIQSQEF-UHFFFAOYSA-N 279.256 0.653 50 50 CCGA COc1nc(C(N)=O)ccc1NC(=O)[C@H](F)Cl 2325898241 YDWOPKWFEZXCSI-LURJTMIESA-N 261.640 0.662 50 50 CCGA CC(C)C[C@@H](Br)C(=O)NCC(=O)O 1699064 PTUKJDOWJCFIBV-ZCFIWIBFSA-N 252.108 0.997 50 50 CCGA Cc1nccn1CC(=O)NN=Cc1ccc(O)c(O)c1 252679316 KSFRXBHDIOJSLR-UHFFFAOYSA-N 274.280 0.753 50 50 CCGA C/C(=N\NC(=O)c1ccc(=O)[nH]n1)c1ccccc1 5314276 DADRINOTRDBRMA-NTEUORMPSA-N 256.265 0.924 50 50 CCGA O=S1(=O)C[C@@H](Br)[C@H](Br)C1 3982498 CGWKQCYAMPDEGC-QWWZWVQMSA-N 277.965 0.942 50 50 CCGA in-vitro CCOc1ccc(NC(=O)CCC(=O)NN)cc1 588057 QXJVDNBFWNABRF-UHFFFAOYSA-N 251.286 0.794 50 50 CCGA Cc1nn(-c2cccc(Cl)n2)c(C)c1B(O)O 170002066 IUICUJKJNQUKKV-UHFFFAOYSA-N 251.482 0.217 50 50 CCGA O=C(CCl)N[C@@H]1CCN(C2CCOCC2)C1=O 1331845669 KBXIDTPKVCGYDB-SECBINFHSA-N 260.721 0.121 50 50 CCGA NC(=O)N/N=C1\NC(=O)/C(=C\c2ccccc2)S1 5649861 JCAVHCBAUZVIIS-SOFGYWHQSA-N 262.294 0.830 50 50 CCGA O=C(CCl)N[C@@H]1CS(=O)(=O)c2ccccc21 1857785069 JSQKDVRIYOAXSM-MRVPVSSYSA-N 259.714 0.870 50 50 CCGA O=Cc1cc(OCCCC(F)(F)F)ccc1B(O)O 2325854006 KOGAYKLTOAZMOK-UHFFFAOYSA-N 276.019 0.900 50 50 CCGA O=C(NNC(=O)[C@H]1CCCO1)c1cccc(F)c1 256208 QSTMKGJVAITXHX-SNVBAGLBSA-N 252.245 0.766 50 50 CCGA OB(O)c1ccc(F)c([C@@H](O)c2cccc(F)c2)c1 169978173 AYQBUNWWASKYER-ZDUSSCGKSA-N 264.036 0.726 50 50 CCGA O=C(CCl)N1CCC[C@]12CCCS(=O)(=O)C2 1875369028 WBTPGFUFKWWOOT-SNVBAGLBSA-N 265.762 0.795 50 50 CCGA Cc1ccc(CNC(=O)c2ccc(B(O)O)cc2F)cc1 169744171 RXUMLWSOGSOIGR-UHFFFAOYSA-N 287.099 0.744 50 50 CCGA O=C(O)CCC(=O)NNC(=O)c1ccccc1[N+](=O)[O-] 2132922 LPCPGTBRBNTXQU-UHFFFAOYSA-N 281.224 0.221 50 50 CCGA CCc1cc2c(=O)n(CC(=O)NN)cnc2s1 150435 HHULMCVJIYLBML-UHFFFAOYSA-N 252.299 0.010 50 50 CCGA NNC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1 66055458 OJDHMQYVZZUCRE-SSDOTTSWSA-N 253.689 0.683 50 50 CCGA C[C@@H](Cl)C(=O)NC(C)(C)CCS(C)(=O)=O 1875255272 ICHIHVHUEZCCHE-SSDOTTSWSA-N 255.767 0.943 50 50 CCGA C[C@H](Cl)C(=O)N1CCC[C@@H](N2CCNC2=O)C1 1875363634 OMBDMMCQTVRGTG-DTWKUNHWSA-N 259.737 0.630 50 50 CCGA O=S1(=O)CC[C@@H](CI)N1 1535543423 MIVLOWPDXOCYNF-BYPYZUCNSA-N 261.084 0.113 50 50 CCGA O=C(CBr)N1CCOC2(CCNCC2)C1 675051792 UDYXLLOJAWBUGF-UHFFFAOYSA-N 277.162 0.362 50 50 CCGA Cc1cccc(CNC(=O)c2cc(B(O)O)ccc2F)c1 169744209 HROAYLLVLGHMRD-UHFFFAOYSA-N 287.099 0.744 50 50 CCGA COc1ccc(Br)c(Cl)c1B(O)O 169902033 QLIFWSMTZIXOGZ-UHFFFAOYSA-N 265.299 0.791 50 50 CCGA CCC(=O)NNC(=O)c1cc(=O)[nH]c2ccccc12 8696059 KOZSQPUJORWLOO-UHFFFAOYSA-N 259.265 0.699 50 50 CCGA CCO[C@@H]1C[C@H]1C(=O)NNC(=O)COc1ccc(F)cc1 225509366 FMVXXEUETTXLKL-VXGBXAGGSA-N 296.298 0.777 50 50 CCGA C[C@H](Cl)C(=O)N1CCN(C[C@@H]2CCOC2)CC1 1875364796 UKUAEYPUILAOCU-QWRGUYRKSA-N 260.765 0.794 50 50 CCGA NNC(=O)CCCCCCCCCCC(=O)NN 5178594 GRGBENNNGZARRZ-UHFFFAOYSA-N 258.366 0.867 50 50 CCGA CN(C(=O)OC(C)(C)C)c1ccc(B(O)O)cc1 169808832 IPRHVYYSYKNJDE-UHFFFAOYSA-N 251.091 0.738 50 50 CCGA Cc1nc(Br)cc(B(O)O)c1Cl 1772572500 JUNSXQYIPRDZQO-UHFFFAOYSA-N 250.288 0.486 50 50 CCGA C[C@H](Cl)C(=O)N[C@@H]1CCC[C@@H]1CNS(C)(=O)=O 1875376114 MQUITVBLPMINFF-DJLDLDEBSA-N 282.793 0.448 50 50 CCGA COC(=O)CCC(=O)NNC(=O)[C@H]1C[C@@H]1c1ccccc1 2937691 ATBVPXOGJYTRBA-NEPJUHHUSA-N 290.319 0.891 50 50 CCGA O=C(Nc1cccc(F)c1)c1ccc(B(O)O)c(F)c1 169744538 BMNFSZHHVKBFTG-UHFFFAOYSA-N 277.035 0.897 50 50 CCGA O=S(=O)(O)CCN(CCCl)CCCl 2167064 HJKWURIJRYSWSR-UHFFFAOYSA-N 250.147 0.654 50 50 CCGA CCCCN1C(=O)[C@H]2CC/C(=N/NC(N)=O)C[C@@H]2C1=O 103088114 PTNCTRNBOHXHJV-MDWLTXIKSA-N 280.328 0.596 50 50 CCGA CCOc1oc(C(=O)NNC(=O)c2cccn2C)nc1C 585130176 JWOSCKFSDOGTHU-UHFFFAOYSA-N 292.295 0.795 50 50 CCGA CC(=O)N([C@@H]1C[C@H](C)C(C#N)(C#N)C1(C#N)C#N)N(C)C 269262 OUPUBHDCUACHAN-CMPLNLGQSA-N 284.323 0.787 50 50 CCGA O=C(NNC(=O)[C@@H]1[C@H]2CC(F)(F)C[C@H]21)c1ncccn1 1875311009 JEYPGAXLFKJERY-JIGDXULJSA-N 282.250 0.529 50 50 CCGA O=C(CN1CCSCC1)N/N=C/c1ccco1 55554720 OKMQFNZMAQZQLZ-XYOKQWHBSA-N 253.327 0.779 50 50 CCGA Cc1nn(C)c(NNC(=O)Cc2ccccc2O)c1C#N 1875349554 BLAMUTCMILMAFL-UHFFFAOYSA-N 285.307 0.992 50 50 CCGA CN(C)S(=O)(=O)NNC(=O)c1c[nH]c2ccccc12 477018 OMLPDTAFWQAXJF-UHFFFAOYSA-N 282.325 0.209 50 50 CCGA Cn1cc(C(=O)NNC(=O)[C@@H]2C[C@H]3C=C[C@@H]2C32CC2)nn1 2325807749 QHVCHFNLSLLIBS-BBBLOLIVSA-N 287.323 0.178 50 50 CCGA Cc1ccn(CC[Si]23OCCN(CCO2)CCO3)n1 198039109 HYWKYBCJZLWLNH-UHFFFAOYSA-N 283.404 0.509 50 50 CCGA O=C(CCl)N[C@H]1CS(=O)(=O)c2ccccc21 1857785070 JSQKDVRIYOAXSM-QMMMGPOBSA-N 259.714 0.870 50 50 CCGA CN(C(=O)OC(C)(C)C)c1cc(B(O)O)ccn1 1772572548 VWRCIWLKYIWMFN-UHFFFAOYSA-N 252.079 0.133 50 50 CCGA CC(C)C(=O)OC(=O)C[C@H](O)C(=O)OC(=O)C(C)C 514277680 KKKSODYZZKTXSX-QMMMGPOBSA-N 274.269 0.189 50 50 CCGA C[C@@H]1C[C@H](NC(=O)CCl)C(=O)N1c1cnn(C)c1 1323269017 ITLZGOCOLTZXIH-APPZFPTMSA-N 270.720 0.269 50 50 CCGA Cc1cc(B(O)O)ccc1S(=O)(=O)OCC(C)(C)C 1772572579 SWADKSRKJNPZBK-UHFFFAOYSA-N 286.158 0.426 50 50 CCGA CCN(CC)CCOc1ccc(B(O)O)cc1F 230528348 OQXFDSBJBVNRPW-UHFFFAOYSA-N 255.098 0.226 50 50 CCGA CCN1CCN([C@H](C)c2ccc(B(O)O)cc2)CC1 230542337 FQQVUWSIBVUGBO-GFCCVEGCSA-N 262.162 0.065 50 50 CCGA O=C[C@H](Br)[C@H](Br)C(=O)O 5494294 AOCBQUQBXIZZSC-HRFVKAFMSA-N 259.881 0.797 50 50 CCGA CC1=NNC(=O)[C@H]1CC(=O)N/N=C/c1ccccc1 100620662 JJQQUVFFTVOHRQ-KYJZABPNSA-N 258.281 0.649 50 50 CCGA O=S(=O)(c1ccccc1B(O)O)C1CCCCC1 170001941 FWYXJZHARKPNCD-UHFFFAOYSA-N 268.143 0.473 50 50 CCGA Cc1nn(C)c(C(=O)N/N=C/c2ccccn2)c1[N+](=O)[O-] 371025 ZNZJPRBJXFUGQJ-VGOFMYFVSA-N 288.267 0.796 50 50 CCGA OB(O)c1cc(Cl)cc(Br)c1F 216700639 NMOPQYMXMOJAJG-UHFFFAOYSA-N 253.263 0.921 50 50 CCGA C[C@@H]([C@@H](C)N(C)C(=O)[C@@H](F)Cl)S(C)(=O)=O 2325820709 OMCWUMGXCJNSGM-DSYKOEDSSA-N 259.730 0.801 50 50 CCGA CC(C)COC(=O)N(N)[C@H]1CCS(=O)(=O)C1 757128026 OXDJFXBGOVBTEG-QMMMGPOBSA-N 250.320 0.142 50 50 CCGA C[C@H](Cl)C(=O)N1CCN(C[C@H]2CCOC2)CC1 1875364797 UKUAEYPUILAOCU-WDEREUQCSA-N 260.765 0.794 50 50 CCGA Nc1nnnn1CC(=O)N/N=C/c1ccc(Cl)cc1 374653 HYXRUOKEKYHZKB-WLRTZDKTSA-N 279.691 0.059 50 50 CCGA CN(C)c1noc(CCNC(=O)[C@H](F)Cl)n1 2325898402 ARRZKDSNLHNNSC-LURJTMIESA-N 250.661 0.329 50 50 CCGA C=CCc1cccc(/C=N/NC(=O)c2ccc(=O)[nH]n2)c1O 5296459 YNQZLKGUVXJRFJ-CXUHLZMHSA-N 298.302 0.968 50 50 CCGA CCOC(=O)CNC(=O)NNC(=O)c1cccc(Cl)c1 2141560 OPNPEOPPYXTTHV-UHFFFAOYSA-N 299.714 0.847 50 50 CCGA COc1cccc(COc2cccc(B(O)O)c2)c1 169807361 BLIXUNCSDKZOOX-UHFFFAOYSA-N 258.082 0.954 50 50 CCGA in-vitro C/C(=N\NC(N)=O)c1sc2nc(C)cc(=O)n2c1C 524735053 RKJNGTILIKQXDC-MKMNVTDBSA-N 279.325 0.765 50 50 CCGA COC(=O)c1cc(C(=O)OC)n(CCBr)n1 1398287 UOIHKXZPZGPUMY-UHFFFAOYSA-N 291.101 0.851 50 50 CCGA O=C1N=C(O)/C(=N\NC(=O)c2cccc(F)c2)C(=O)N1 6974502 CPTJEKHCHRFMIB-UHFFFAOYSA-N 278.199 0.118 50 50 CCGA OB(O)c1cc(Cl)ccc1OCCCNC1CC1 230536243 OJCFOIGQZRYPQJ-UHFFFAOYSA-N 269.537 0.541 50 50 CCGA NC(=S)NNC(=O)c1ccc(Br)cc1 295739 RAEHDKMKJRJVFF-UHFFFAOYSA-N 274.143 0.927 50 50 CCGA CC(C)(C)OC(=O)N1CCC(C(=O)NNC(=O)O)CC1 95221253 GATPALBPYIASPA-UHFFFAOYSA-N 287.316 0.932 50 50 CCGA CN1CCC(=NNC(=O)C(=O)NCc2ccccc2)CC1 55433502 SBQWFXNCWSARLN-UHFFFAOYSA-N 288.351 0.501 50 50 CCGA O=C(CCl)NCCn1cc([C@@H]2CCOC2)cn1 1875367932 ASAJCZHFGPMCFQ-SECBINFHSA-N 257.721 0.742 50 50 CCGA C[C@H](Cl)C(=O)N[C@@]1(C(N)=O)CCOc2ccccc21 1875364371 OYHUNRUGSWWBIQ-SDBXPKJASA-N 282.727 0.893 50 50 CCGA C[C@@H](Cl)C(=O)NCCN1CCn2nccc2C1 1875369145 UEGHSFZUOZQTHD-SECBINFHSA-N 256.737 0.442 50 50 CCGA CCN(CC)C(=O)C(=O)NNC(=O)c1cccc(F)c1 2870066 GUWJBGXSADYKKB-UHFFFAOYSA-N 281.287 0.455 50 50 CCGA O=C(N/N=C/c1ccccc1O)C(=O)N1CCCCC1 2892325 PMHSOHLJLQUONU-XNTDXEJSSA-N 275.308 0.855 50 50 CCGA Cc1cccc(N2CCN(CC(=O)NN)CC2)c1C 16310637 LOVQCMUAKYQBEG-UHFFFAOYSA-N 262.357 0.415 50 50 CCGA C[C@@H](Cl)C(=O)N1CC[C@@H](CS(C)(=O)=O)C1 725452126 IKCVFQLBXVQUID-HTQZYQBOSA-N 253.751 0.507 50 50 CCGA COc1cc2[nH]c(=O)n(CCCl)c(=O)c2cc1OC 5349851 WTZNVCLWQHGBDC-UHFFFAOYSA-N 284.699 0.946 50 50 CCGA CCOc1cc(B(O)O)c(F)c(C(F)(F)F)c1 169955171 HLNNKYHTOVDUGK-UHFFFAOYSA-N 251.972 0.923 50 50 CCGA C[C@H](NC(=O)OC(C)(C)C)c1ccc(B(O)O)cc1 203587378 MSAGOVOMQIQREX-VIFPVBQESA-N 265.118 0.952 50 50 CCGA CNC(=O)NNC(=O)Cc1ccc2cnccc2c1 1142142786 SVQQUCKJIWOJBN-UHFFFAOYSA-N 258.281 0.738 50 50 CCGA CC(=O)N([C@H]1C[C@@H](C)C(C#N)(C#N)C1(C#N)C#N)N(C)C 269266 OUPUBHDCUACHAN-PWSUYJOCSA-N 284.323 0.787 50 50 CCGA CCOC(=O)c1ccc(NC(=O)NNC(=O)CC#N)cc1 2143501 CPCBTDPMMMWXET-UHFFFAOYSA-N 290.279 0.930 50 50 CCGA O=C1C[C@H](NC(=O)c2ccc(Cl)cc2)C(=O)O1 103706400 RTOBBYSHVPFFSQ-QMMMGPOBSA-N 253.641 0.912 50 50 CCGA CC(C)(C)NC(=O)c1cc(Br)cc(B(O)O)c1 238791314 OZDNJKTZWQYTNR-UHFFFAOYSA-N 299.961 0.657 50 50 CCGA OB(O)c1cc(Br)cc(Br)c1 169746835 WQBLCGDZYFKINX-UHFFFAOYSA-N 279.724 0.891 50 50 CCGA in-vitro O=C(NNS(=O)(=O)c1cccnc1F)C1CCCC1 585141584 XSBVEQMZYKYLKQ-UHFFFAOYSA-N 287.316 0.720 50 50 CCGA C[C@H]1CCCCN1C(=O)c1ccc(F)c(B(O)O)c1 169744217 WUPGAFQQYJVDKA-VIFPVBQESA-N 265.093 0.520 50 50 CCGA C[C@H](Cl)C(=O)N[C@H]1CCC[C@H]1CNS(C)(=O)=O 1875376113 MQUITVBLPMINFF-CIUDSAMLSA-N 282.793 0.448 50 50 CCGA C[C@H](Cl)C(=O)NC[C@@H](N1CCOCC1)C(F)(F)F 1875377976 SKZOJCLJUVOQQJ-JGVFFNPUSA-N 288.697 0.993 50 50 CCGA NNC(=O)c1cc(=O)[nH]c2ccc(Br)cc12 6188237 ADNDOELLVSRJNI-UHFFFAOYSA-N 282.097 0.894 50 50 CCGA N#CC1=C(N)Oc2nc[nH]c(=O)c2[C@H]1c1ccccc1 8691863 IMGMDPKDQCYHJH-JTQLQIEISA-N 266.260 0.988 50 50 CCGA CCc1noc(CC)c1CNCc1ccc(B(O)O)cc1 585028052 CRDLHLIAZRUJBX-UHFFFAOYSA-N 288.156 0.769 50 50 CCGA COc1ccccc1NC(=O)c1ccc(B(O)O)c(F)c1 169744519 AGWMPUKFZBRJLY-UHFFFAOYSA-N 289.071 0.766 50 50 CCGA O=C(NNC(=O)[C@H]1C[C@@H]2CC[C@H](C1)O2)c1ncccn1 1875310499 SAKZWCDZFKXOSI-OWUUHHOZSA-N 276.296 0.195 50 50 CCGA C[C@H]1CCCN(C(=O)c2ccc(B(O)O)c(Cl)c2)C1 169744509 DRKOVGPCOZDBOZ-VIFPVBQESA-N 281.548 0.892 50 50 CCGA O=C(c1cccc(B(O)O)c1F)N1CCCCC1 169744713 AUNXEGPMHNGILF-UHFFFAOYSA-N 251.066 0.132 50 50 CCGA OB(O)c1cc(N2CCOCC2)cc(C(F)(F)F)c1 230544048 DBIDUCJSVMWKJT-UHFFFAOYSA-N 275.035 0.222 50 50 CCGA CCN1CCN(CC(=O)N/N=C/c2ccc(F)cc2)CC1 19595092 ALVQMGCMHSHLAX-GZTJUZNOSA-N 292.358 0.913 50 50 CCGA CCN1CCN(c2ccc(B(O)O)c(Cl)c2)CC1 170001847 FLOIHVQHFCXVKL-UHFFFAOYSA-N 268.553 0.162 50 50 CCGA CCO/N=[N+](\O)C/[N+](O)=N/OCCBr 225434848 PVLNFCAYMIOECT-UHFFFAOYSA-N 273.087 0.930 50 50 CCGA C[C@@H](Cl)C(=O)N1CC[C@H](CS(C)(=O)=O)C1 725452128 IKCVFQLBXVQUID-SFYZADRCSA-N 253.751 0.507 50 50 CCGA O=C1O[C@H]2[C@H]3C[C@@H]([C@@H]2I)[C@@H](CO)[C@H]13 197173931 PSTGDDPSSSCMBH-CEWDUOPYSA-N 294.088 0.590 50 50 CCGA COc1ccc(/C=N\NC(=O)c2ccc(=O)[nH]n2)cc1O 39769456 QLPVMAGPGZUPJU-AUWJEWJLSA-N 288.263 0.248 50 50 CCGA CN1CCC(=NNC(=O)C(=O)NC2CCCCC2)CC1 55124261 VTLPLSMTRSHYBZ-UHFFFAOYSA-N 280.372 0.633 50 50 CCGA O=C(O)C[C@H]1COCCN1S(=O)(=O)C1(CCl)CC1 1875289150 UZZJGQYFXLLVMS-QMMMGPOBSA-N 297.760 0.263 50 50 CCGA O=C(CNC(=O)c1ccco1)N/N=C/c1ccc(O)cc1 2839994 IEHIXFVBNCUHON-LZYBPNLTSA-N 287.275 0.865 50 50 CCGA CCN(CC)C(=O)C(=O)N/N=C/c1ccccc1[N+](=O)[O-] 2892479 JERSROQQLGMAQT-NTEUORMPSA-N 292.295 0.913 50 50 CCGA CC1(C)NC(=O)N(CCCNC(=O)[C@@H](F)Cl)C1=O 2325897645 CDZWLNXXRPBTCK-ZCFIWIBFSA-N 279.699 0.358 50 50 CCGA NNC(=O)CNc1ccc(I)cc1 221496 AYGNTTLCBOXYTP-UHFFFAOYSA-N 291.092 0.693 50 50 CCGA O=C(O)CCC(=O)NNC(=O)[C@H]1C[C@H]1c1ccccc1 2913648 STVUMTXFVQYPMH-QWRGUYRKSA-N 276.292 0.802 50 50 CCGA O=C1N[C@@H](CCCCNC(=O)C(F)(F)F)C(=O)O1 77319798 KWNIHCJDDYRQFW-YFKPBYRVSA-N 268.191 0.470 50 50 CCGA in-vitro C[C@@H](Cl)C(=O)N1CCOC[C@H](n2cccn2)C1 1875375587 FJKJYKYLJQPTFK-NXEZZACHSA-N 257.721 0.910 50 50 CCGA CC(C)(C)OC(=O)n1c(B(O)O)cc2ncccc21 203889448 JYPXTBFIVPSJSL-UHFFFAOYSA-N 262.074 0.499 50 50 CCGA CC(=O)Nc1ccc(C(=O)NNC(=O)C2CC2)cc1 358503 LTYXRKCXVDROIY-UHFFFAOYSA-N 261.281 0.816 50 50 CCGA C[n+]1cn(NC(=O)c2ccc(CBr)cc2)cn1 25664534 WQAKHUFXUZAIOL-UHFFFAOYSA-O 296.148 0.986 50 50 CCGA Cn1nnc(NS(=O)(=O)c2cccc(CCl)c2)n1 310864340 PHRACJDOBKSNDS-UHFFFAOYSA-N 287.732 0.750 50 50 CCGA O=C(CCl)NCCN1C[C@H]2CCCCN2C1=O 1329862174 GJDSGRZRKMZKJN-SECBINFHSA-N 259.737 0.632 50 50 CCGA OB(O)c1cc(F)cc(COCC(F)(F)F)c1 211630258 WTOJFSPIBYRSHT-UHFFFAOYSA-N 251.972 0.584 50 50 CCGA O=C(O)[C@H]1[C@H]2C(=O)O[C@@H]3[C@@H](Br)[C@@H]1C[C@@H]32 239248096 YAUZWMLHLWHCLG-MAFUWASYSA-N 261.071 0.642 50 50 CCGA O=C(NCCN1C(=O)CSC1=O)[C@@H](F)Cl 2325901431 FUVCTWXREMZUIH-RXMQYKEDSA-N 254.670 0.332 50 50 CCGA CCCCN1C(=O)[C@H]2C/C(=N\NC(N)=O)CC[C@H]2C1=O 103088111 PTNCTRNBOHXHJV-DFUKEALSSA-N 280.328 0.596 50 50 CCGA OB(O)c1cc(OC(F)(F)F)cc2cccnc12 170002005 PCNNPZWCCUYFOP-UHFFFAOYSA-N 256.976 0.813 50 50 CCGA O=C(NC1CCCC1)c1cc(B(O)O)ccc1Cl 230549732 DHRYTZMWCBVQAJ-UHFFFAOYSA-N 267.521 0.692 50 50 CCGA CC(C)C(=O)N1CC(F)(CNC(=O)[C@@H](C)Cl)C1 1875376228 PIQJQWUSKSGQMA-MRVPVSSYSA-N 264.728 0.936 50 50 CCGA COc1ccccc1COc1cccc(B(O)O)c1 169903748 ISSAOILCOPRMKF-UHFFFAOYSA-N 258.082 0.954 50 50 CCGA in-vitro CC[C@@H](C)NC(=S)NNC(=O)c1ccncc1 13497017 FKBGAKAZQBULQJ-MRVPVSSYSA-N 252.343 0.989 50 50 CCGA Cc1ccc(OCC(=O)NNC(=O)CC#N)c(C)c1 2816169 LMBULWUYNSKJLB-UHFFFAOYSA-N 261.281 0.743 50 50 CCGA N#CC(C#N)=Cc1ccc(N(CCO)CCO)cc1 25726065 CYBYVNMREDBMAT-UHFFFAOYSA-N 257.293 0.908 50 50 CCGA OB(O)c1cc(Cl)cnc1OCc1ccccc1 169933798 WSTGGDQWIOLAIE-UHFFFAOYSA-N 263.489 0.994 50 50 CCGA in-vitro COc1ccc(OC)c(/C=N/NC(=O)[C@H](C)O)c1 437510 PIWIESHOBIGXNS-MTDSNMTDSA-N 252.270 0.535 50 50 CCGA CN1CCN(CCC(=O)N/N=C/c2ccncc2)CC1 19535958 ICQZJLOJVAVNSJ-FOWTUZBSSA-N 275.356 0.169 50 50 CCGA CC(C)NS(=O)(=O)[C@H]1CCN(C(=O)[C@@H](C)Cl)C1 1875364474 RXQVTMQWQJNCSW-BDAKNGLRSA-N 282.793 0.542 50 50 CCGA C[C@@H](Cn1cnc2c(cnn2C)c1=O)NC(=O)[C@H](C)Cl 1875364014 HNHKBPNBZTTYIB-YUMQZZPRSA-N 297.746 0.262 50 50 CCGA CC(C)(C)OC(=O)Nc1cc(B(O)O)cc(C(=O)O)c1 169745064 DDZVPNHBJRCXEI-UHFFFAOYSA-N 281.073 0.412 50 50 CCGA in-vitro Cc1ccccc1NS(=O)(=O)c1ccc(B(O)O)cc1 169744052 RPOWHZRISDCUBY-UHFFFAOYSA-N 291.137 0.476 50 50 CCGA NNC(=O)c1cnn(-c2ccc(Br)cc2)c1N 2522130 XKCCKDRUAISHDI-UHFFFAOYSA-N 296.128 0.821 50 50 CCGA O=C(O)c1cc(OCc2ccccc2)cc(B(O)O)c1 687740338 HFKQSVIPWAJTOD-UHFFFAOYSA-N 272.065 0.644 50 50 CCGA CC(C)(C)OC(=O)N1C(=O)Cc2cc(B(O)O)ccc21 169933890 UXXKKSRXRLPRCP-UHFFFAOYSA-N 277.085 0.191 50 50 CCGA in-vitro Cc1noc([C@@]2(O)CCN(C(=O)[C@@H](C)Cl)C2)n1 1875380018 CFEIUVSXKXGQLJ-LHLIQPBNSA-N 259.693 0.425 50 50 CCGA COC(=O)C1=C[C@H]2[C@@H]1[C@@H]1C=C[C@H]2[C@H]2C(=O)OC(=O)[C@H]12 254708024 RLOCDRQSSNUEDF-XHHLLCLPSA-N 260.245 0.463 50 50 CCGA O=C(NC1CCCC1)c1cccc(B(O)O)c1F 169744653 KPKKREGQPNKBAY-UHFFFAOYSA-N 251.066 0.178 50 50 CCGA Cc1nc([C@H]2COCCN2C(=O)[C@H](C)Cl)no1 1875380305 LGLNYYNRHDYUHP-POYBYMJQSA-N 259.693 0.905 50 50 CCGA CC(C)Oc1c(Br)cc(C=O)cc1B(O)O 169748140 JDRHFOMNQQEZJZ-UHFFFAOYSA-N 286.918 0.729 50 50 CCGA CC(C)N1CCN2C(=O)[C@@H](NC(=O)CCl)C[C@H]2C1 1875374925 JXROWBJGGPGQCV-UWVGGRQHSA-N 273.764 0.035 50 50 CCGA O=C(NNC(=O)[C@@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 260449 VLSVGFYFCBEYIQ-JTQLQIEISA-N 279.252 0.535 50 50 CCGA N#CC1=C(N)Oc2c(oc(CO)cc2=O)[C@@H]1c1ccncc1 112771 FGVLMYOPSKMFKW-GFCCVEGCSA-N 297.270 0.745 50 50 CCGA C[C@@H](Cl)C(=O)NC[C@@H]1CC(=O)N(C)[C@H]1c1nccn1C 1875380202 IDTFXZRTSJYGSE-WCABBAIRSA-N 298.774 0.683 50 50 CCGA O=C([C@H]1Cc2cccc(F)c2O1)N1CC[C@H](B(O)O)C1 585138719 MQJSTOPODVPVEK-GXSJLCMTSA-N 279.076 0.205 50 50 CCGA COc1ccccc1/C=N/NC(=O)c1nonc1N 436428 ULOWBFGPPFFMCH-AWNIVKPZSA-N 261.241 0.424 50 50 CCGA NNC(=O)CNC(=O)c1ccc(Br)cc1 162611 ZXZLSIKFVCPYJT-UHFFFAOYSA-N 272.102 0.169 50 50 CCGA COc1cccc(/C=N/NC(=O)C(=O)N2CCCC2)c1O 2903229 WFLWBLQWRQYMBK-OQLLNIDSSA-N 291.307 0.473 50 50 CCGA COc1ccc(B(O)O)c(F)c1OC1CCCC1 169955297 JHJNVXNRARWEBL-UHFFFAOYSA-N 254.066 0.836 50 50 CCGA Cc1nnc([C@@H]2COCCN2C(=O)[C@H](C)Cl)o1 1875366538 SXFXJLQEXIEENU-XPUUQOCRSA-N 259.693 0.905 50 50 CCGA O=C(NNC(=O)c1ncccn1)N[C@@H]1C[C@@H]2CCCC[C@@H]21 889888286 QRCHYPUVLHHKRE-GARJFASQSA-N 289.339 0.999 50 50 CCGA COc1cc(NC(=O)CCl)cc(-n2cnnn2)c1 374109 HFPIEXTXPFCHEZ-UHFFFAOYSA-N 267.676 0.848 50 50 CCGA O=C1CC(CC(=O)N/N=C/c2ccccc2[N+](=O)[O-])=NN1 100547255 YPBTZCDTDKRQIG-NTUHNPAUSA-N 289.251 0.311 50 50 CCGA O=C(c1cc(B(O)O)ccc1Cl)N1CCCCC1 169745700 QNOMMSMMADZNCM-UHFFFAOYSA-N 267.521 0.646 50 50 CCGA in-vitro C[C@@H](Cl)C(=O)N1CCN(C2(C(N)=O)CCCC2)CC1 1875364850 VZVHMRRWNJVRPJ-SNVBAGLBSA-N 287.791 0.556 50 50 CCGA O=S1(=O)C[C@H](Br)[C@H](Br)C1 1082636 CGWKQCYAMPDEGC-ZXZARUISSA-N 277.965 0.942 50 50 CCGA in-vitro O=C(CCl)NCc1cccnc1N1CCOCC1 1320466242 HIFYDXVXPNVCCR-UHFFFAOYSA-N 269.732 0.773 50 50 CCGA C[C@H](CN)C(=O)NNc1nc(-c2ccncc2)no1 285717524 DVAGBMQOROPRCR-SSDOTTSWSA-N 262.273 0.170 50 50 CCGA Cc1ccc(CNC(=S)NNC(=O)C(C)(C)O)cc1 2850801 LWYPIERHADWYEV-UHFFFAOYSA-N 281.381 0.761 50 50 CCGA Nc1nonc1NC(=O)N/N=C\c1ccccc1F 32609455 WEWFYPALYWMJBZ-ACAGNQJTSA-N 264.220 0.947 50 50 CCGA N#CC(N)=C(C#N)N=Cc1ccc(OCC(=O)O)cc1 2041576664 YVNRTMSCNOYYLL-UHFFFAOYSA-N 270.248 0.786 50 50 CCGA Cc1ccccc1C(=O)NNC(=O)C(=O)NC(C)C 2865111 CZMURWZWYXUFDX-UHFFFAOYSA-N 263.297 0.281 50 50 CCGA CC1=C(C(=O)NN)[C@H](c2ccc(F)cc2)NC(=O)N1 12416482 UTCSIFQGIGROEH-JTQLQIEISA-N 264.260 0.444 50 50 CCGA Cc1cc(Br)cc2cc(B(O)O)cnc12 606241597 BFBFVHFSXSETSU-UHFFFAOYSA-N 265.903 0.986 50 50 CCGA COc1ccc(/C=N/NC(=O)NC(N)=O)cc1OC 2392032 ZRENWAZIXCIAAC-AWNIVKPZSA-N 266.257 0.416 50 50 CCGA COC(=O)c1ccc(Br)c(B(O)O)c1F 169746230 DTSNXWLOPSVZPQ-UHFFFAOYSA-N 276.854 0.055 50 50 CCGA in-vitro C[C@H](Cl)C(=O)NC(C)(C)CCS(C)(=O)=O 1875255273 ICHIHVHUEZCCHE-ZETCQYMHSA-N 255.767 0.943 50 50 CCGA NNC(=O)CSCC(=O)Nc1ccccc1[N+](=O)[O-] 4517682 GNUJPJDZHVFEAI-UHFFFAOYSA-N 284.297 0.256 50 50 CCGA C[C@@H]1CN(C)[C@H](C)[C@@H](/C=C(/C#N)C(N)=S)C1=O 252320603 DDJDOUUUOIGZKM-QVOZSLRKSA-N 251.355 0.878 50 50 CCGA C[C@H]1CCCN(C(=O)c2cccc(B(O)O)c2F)C1 169744689 GEVKMKYDCVLEAB-VIFPVBQESA-N 265.093 0.378 50 50 CCGA O=C(Nc1cccc(B(O)O)c1)c1ccc(F)cc1 394690052 JRQIAQFQFHCYOH-UHFFFAOYSA-N 259.045 0.758 50 50 CCGA C[C@H](Cl)C(=O)NCCN1CCn2nccc2C1 1875369146 UEGHSFZUOZQTHD-VIFPVBQESA-N 256.737 0.442 50 50 CCGA CC1=NNC(=O)[C@@H]1CCC(=O)N/N=C/c1ccco1 100508093 LCISRSDCGKLTOE-SRMXYGTFSA-N 262.269 0.632 50 50 CCGA C[C@@H](Cl)C(=O)N1CC(S(=O)(=O)NC2CCCC2)C1 1875366434 JAQCSCJVZNDQOD-MRVPVSSYSA-N 294.804 0.687 50 50 CCGA CC1(C)CC(=O)C(C#N)=C(NCCS(=O)(=O)O)C1 100507213 QUSGISMQOMOTEZ-UHFFFAOYSA-N 272.326 0.631 50 50 CCGA COc1cc2c(cc1OC)/C(=N/NC(N)=O)NC(C)(C)C2 170292 ZECXVVPFSQLHAO-UHFFFAOYSA-N 292.339 0.958 50 50 CCGA CCOc1ccc(/C=N/NC(=O)C(=O)NC2CC2)cc1 2920471 BOSCALDHONQRNY-OQLLNIDSSA-N 275.308 0.814 50 50 CCGA OB(O)c1cc(F)ccc1OC[C@H]1CCCCO1 169924435 KFIJYABYGSCBOL-SNVBAGLBSA-N 254.066 0.453 50 50 CCGA in-vitro O=C(NCc1ccccc1F)c1ccc(B(O)O)cc1F 169744290 WXSCHZOZDFXFHF-UHFFFAOYSA-N 291.062 0.575 50 50 CCGA O=C(NCc1ccncc1)C(=O)N/N=C/c1cccc(O)c1 8323758 UNKBJYRXMKDWNA-VCHYOVAHSA-N 298.302 0.554 50 50 CCGA CC(C)N1CCN2C(=O)[C@@H](NC(=O)[C@H](C)Cl)C[C@H]2C1 1875375761 HSZVYBVWHOOPPV-DCAQKATOSA-N 287.791 0.423 50 50 CCGA CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NNC(=O)C1CC1 261361089 HEXOUDJJFVEROS-JTQLQIEISA-N 297.355 0.943 50 50 CCGA Cc1nn(C)c(NNC(=O)[C@@H]2C[C@@]23CCOC3)c1C#N 1875344664 IMOGSKWOVXBOGS-GXFFZTMASA-N 275.312 0.470 50 50 CCGA NNC(=O)CS(=O)(=O)c1ccc(Cl)cc1Cl 2070729265 NUYWTGMHLMBMFH-UHFFFAOYSA-N 283.136 0.757 50 50 CCGA CC1(C)NC(=O)N(CCCNC(=O)[C@H](F)Cl)C1=O 2325897644 CDZWLNXXRPBTCK-LURJTMIESA-N 279.699 0.358 50 50 CCGA Cc1ccc(S(=O)(=O)N2CCC(C(=O)NN)CC2)cc1 168412 PWSIXGPDJIEVBT-UHFFFAOYSA-N 297.380 0.386 50 50 CCGA C[C@H](Cl)C(=O)N1CC[C@H](CS(C)(=O)=O)C1 725452129 IKCVFQLBXVQUID-YUMQZZPRSA-N 253.751 0.507 50 50 CCGA O=C(CCl)N1CCCN(C(=O)[C@@H]2CCCO2)CC1 1875364954 ZDVUERXWGVCAGQ-JTQLQIEISA-N 274.748 0.465 50 50 CCGA Cc1ocnc1C(=O)NNC(=O)C[C@@H]1CC[C@@H](C)CO1 2325796407 ODZLENYJZCQBOK-SCZZXKLOSA-N 281.312 0.949 50 50 CCGA CCO[C@@H]1C[C@@H]1C(=O)NNC(=O)COc1ccc(F)cc1 225509291 FMVXXEUETTXLKL-NWDGAFQWSA-N 296.298 0.777 50 50 CCGA CCNC(=S)NNC(=O)c1cccc([N+](=O)[O-])c1 5795370 RBEWWINZSULOOD-UHFFFAOYSA-N 268.298 0.724 50 50 CCGA CCCN(CCC)C(=O)c1cc(B(O)O)ccc1F 169744450 ZOWSBHXCHLRWLC-UHFFFAOYSA-N 267.109 0.768 50 50 CCGA CC(C)C[C@@H](NC(=O)[C@@H](C)Cl)C(=O)N=c1cc[nH][nH]1 1875363442 AFWXPZVKPQKLOL-RKDXNWHRSA-N 286.763 0.928 50 50 CCGA O=C(O)/C=C\C(=O)NNC(=O)[C@@H]1C[C@H]1c1ccccc1 100300286 LNTZNXCWGIGMBO-QIAMSNJGSA-N 274.276 0.578 50 50 CCGA O=C(NCc1ccccc1F)c1ccc(B(O)O)cc1 1540454870 GQEARPAZFHVKBX-UHFFFAOYSA-N 273.072 0.436 50 50 CCGA CC(C)(C)NC(=O)c1ccc(B(O)O)c(Cl)c1 169744377 KKYJLFNTZIOCSL-UHFFFAOYSA-N 255.510 0.548 50 50 CCGA Cc1nnc([C@H]2COCCN2C(=O)[C@H](C)Cl)o1 1875366536 SXFXJLQEXIEENU-POYBYMJQSA-N 259.693 0.905 50 50 CCGA CCO[C@H]1[C@@H](OCC)NC(C#N)=C(C#N)N1CC 245255920 MLGFVMNLADXPSR-NEPJUHHUSA-N 250.302 0.895 50 50 CCGA CCC(=O)Nc1cccc(C(=O)N2CC[C@@H](B(O)O)C2)c1 585076051 KROXUXLEGPSPNF-LLVKDONJSA-N 290.128 0.724 50 50 CCGA CCn1cnc2c(c1=O)CCN(C(=O)[C@H](C)Cl)C2 1875380040 CVIAWWQTGLRMPH-QMMMGPOBSA-N 269.732 0.775 50 50 CCGA O=S(=O)(O)CCCI 2165042 WLTPHPWPIJQBCE-UHFFFAOYSA-N 250.057 0.699 50 50 CCGA C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)[C@@H](F)Cl 2325820710 OMCWUMGXCJNSGM-FSDSQADBSA-N 259.730 0.801 50 50 CCGA CCCN(CCC)C(=O)c1ccc(F)c(B(O)O)c1 169744389 SXNCVCUHUAGRLS-UHFFFAOYSA-N 267.109 0.768 50 50 CCGA COc1ccc(N2CCS[C@H]2C(=O)NN)cc1 377810 GNCJGOFUGFKPJD-NSHDSACASA-N 253.327 0.564 50 50 CCGA OB(O)c1cc(C2OCCO2)cc(C(F)(F)F)c1 169746485 QPNGCFKECJVVNJ-UHFFFAOYSA-N 261.992 0.431 50 50 CCGA OB(O)c1cc(Br)c(F)c(F)c1F 197953712 BPTDZHGWKPWRKV-UHFFFAOYSA-N 254.798 0.546 50 50 CCGA CC(C)N(C(=O)c1cccc(B(O)O)c1F)C(C)C 169744705 MSECMXGTGQGQQR-UHFFFAOYSA-N 267.109 0.765 50 50 CCGA COCC(=O)NNC(=S)N[C@@H](C)c1ccccc1 2853999 LRGBSNQICPHWCR-VIFPVBQESA-N 267.354 0.889 50 50 CCGA O=C(c1ccc(F)c(B(O)O)c1)N1CCCCC1 169745655 PBARTZZYZFNCJU-UHFFFAOYSA-N 251.066 0.132 50 50 CCGA CCn1cnc2c(c1=O)CCN(C(=O)[C@@H](C)Cl)C2 1875380039 CVIAWWQTGLRMPH-MRVPVSSYSA-N 269.732 0.775 50 50 CCGA O=C(N/N=C/c1ccc2c(c1)OCO2)c1cnccn1 5582701 YGVNSCOHHMATFR-OMCISZLKSA-N 270.248 0.969 50 50 CCGA O=C1CC[C@H](C(=O)NNC(=S)Nc2ccccc2)N1 913435432 AJHAOVUTZZSMMR-SECBINFHSA-N 278.337 0.283 50 50 CCGA O=C(c1ccc(Cl)c(B(O)O)c1)N1CCCCC1 169744648 NQMYUNCJCKOGHU-UHFFFAOYSA-N 267.521 0.646 50 50 CCGA CCNC(=S)NNC(=O)CP(=O)(OCC)OCC 3897523 BFJVDNKWXUKGKN-UHFFFAOYSA-N 297.317 0.768 50 50 CCGA N[C@@H](CSS(=O)(=O)c1ccccc1)C(=O)O 6575503 YKYWKTOUPAICGF-QMMMGPOBSA-N 261.324 0.520 50 50 CCGA in-vitro O=C(NNC(=O)N1CCOCC1)c1coc(C2CC2)n1 777242473 TXJXSPSKJSPOCT-UHFFFAOYSA-N 280.284 0.239 50 50 CCGA CN=c1[nH]c(CBr)c(S(N)(=O)=O)s1 1875313892 WPICNWYEBJPXJT-UHFFFAOYSA-N 286.176 0.149 50 50 CCGA NNC(=O)CSCC(=O)Nc1ccc([N+](=O)[O-])cc1 4517842 IPFQGQQNFKYECE-UHFFFAOYSA-N 284.297 0.256 50 50 CCGA O=[N+]([O-])c1cc(Br)c(F)c(B(O)O)c1 306397228 USYOOJUIHXRVGP-UHFFFAOYSA-N 263.815 0.176 50 50 CCGA O=C(c1cc(B(O)O)ccc1Cl)N1CCCC1 169745103 NSFDJLUUAWITQY-UHFFFAOYSA-N 253.494 0.256 50 50 CCGA in-vitro CC(=O)Oc1ccc([N+](=O)[O-])c(Cl)c1S(N)(=O)=O 1848350321 WUNZPMJWVFCYSG-UHFFFAOYSA-N 294.672 0.821 50 50 CCGA CN1C(=O)[C@H](NC(=O)CCl)COc2ccccc21 1875375192 UQKIOMJTUCOYLR-MRVPVSSYSA-N 268.700 0.765 50 50 CCGA O=S(=O)(O)OCCCI 2165002 ORFCIXWCGHVYMF-UHFFFAOYSA-N 266.056 0.631 50 50 CCGA COC(=O)CCC(=O)NNC(=O)Nc1ccccc1 2937681 AMBWJHJMCRSDJO-UHFFFAOYSA-N 265.269 0.793 50 50 CCGA NS(=O)(=O)c1ccc(CCNC(=O)CCl)cc1 3289278 SPHVYECTYHWHJM-UHFFFAOYSA-N 276.745 0.232 50 50 CCGA COC(=O)[C@]12C[C@H]([C@H]3C(=O)OC(=O)[C@@H]31)[C@@H]1C=CC=C[C@@H]12 257356259 HCBQGDAJLBYALR-NFGJRZLHSA-N 274.272 0.854 50 50 CCGA CCOC(=O)[C@@]12C=C[C@@H](CC1)[C@@H]1C(=O)OC(=O)[C@@H]12 169797494 YUHKVFTVEJNHJO-YDEXJTGXSA-N 250.250 0.832 50 50 CCGA CC(C)(C)OC(=O)N1CCC[C@@H]1c1cncc(B(O)O)c1 206449616 BVPDRVAFUSVAGU-GFCCVEGCSA-N 292.144 0.833 50 50 CCGA CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)[C@H](C)Cl)C1 1875364476 RXQVTMQWQJNCSW-DTWKUNHWSA-N 282.793 0.542 50 50 CCGA COC(=O)/C(C#N)=C\c1ccc(S(C)(=O)=O)n1C 334492 SIRLBHHTMWESSJ-VURMDHGXSA-N 268.294 0.509 50 50 CCGA O=c1ccn(Cc2ccccc2)c(=O)n1C[C@H](O)CCl 82982 FOCRJUGVGAKJCR-GFCCVEGCSA-N 294.738 0.658 50 50 CCGA CN(Cc1ccc(B(O)O)cc1)C(=O)OC(C)(C)C 169946433 GHRFYNCASJLKQN-UHFFFAOYSA-N 265.118 0.733 50 50 CCGA in-vitro COc1ccccc1NC(=O)c1cccc(B(O)O)c1 230541676 JCVYOHCBRLCUSA-UHFFFAOYSA-N 271.081 0.627 50 50 CCGA O=S1(=O)C[C@H](Br)[C@@H](Br)C1 1082635 CGWKQCYAMPDEGC-IMJSIDKUSA-N 277.965 0.942 50 50 CCGA in-vitro NNC(=O)CN1CCN(c2ccccc2Cl)CC1 16310828 HUIMFQZEJBYDLR-UHFFFAOYSA-N 268.748 0.452 50 50 CCGA O=C(NNC(=O)[C@@H]1CCCCO1)c1ccnc(C2CC2)n1 833251515 ZJCZZIJVUIFLHS-NSHDSACASA-N 290.323 0.684 50 50 CCGA O=C(N/N=C\c1ccc(O)c(O)c1)c1cnccn1 55447773 RQMPTZCZXMCLRC-UUASQNMZSA-N 258.237 0.652 50 50 CCGA N#Cc1cccc(COc2ccccc2B(O)O)c1 169922410 GLFQWDKMRRYVDL-UHFFFAOYSA-N 253.066 0.817 50 50 CCGA in-vitro O=C(NNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21)c1ccco1 1875271275 LHCRQHJHAWMWED-RMAYHROUSA-N 262.265 0.464 50 50 CCGA CNC(=S)NNC(=O)c1cccc([N+](=O)[O-])c1 122863 MEZRGMOKHOUUSI-UHFFFAOYSA-N 254.271 0.334 50 50 CCGA CNC(=S)NNC(=O)COc1ccc(NC(C)=O)cc1 16321230 LDVOPXPVKVMCHA-UHFFFAOYSA-N 296.352 0.149 50 50 CCGA O=C1C[C@H](C(=O)O)SC(NNC(=O)c2ccccc2)=N1 528523 SDQMJKQUWPJOCW-MRVPVSSYSA-N 293.304 0.394 50 50 CCGA CC(C)(C)OC(=O)Nc1cccc(B(O)O)c1F 713209403 UOKSNKVNRPSQNZ-UHFFFAOYSA-N 255.054 0.853 50 50 CCGA O=C(N/N=C/c1ccc(F)cc1)C(=O)N1CCCC1 2892345 FUSUNCJSMRFSAM-OQLLNIDSSA-N 263.272 0.898 50 50 CCGA Nc1nonc1NC(=O)N/N=C\c1cccc([N+](=O)[O-])c1 32609451 GLYHBCPYBISRSL-XGICHPGQSA-N 291.227 0.716 50 50 CCGA CC(C)(C)[Si](C)(C)OCCn1nnc(C(N)=O)n1 585133152 XJSZUDCGQLMQSI-UHFFFAOYSA-N 271.397 0.794 50 50 CCGA CN(C(=O)c1cccc(B(O)O)c1F)C1CCCCC1 169744664 AXYMMNCZFZSZII-UHFFFAOYSA-N 279.120 0.910 50 50 CCGA O=S(=O)(Nc1ccc(F)cc1)c1cccc(B(O)O)c1 169744454 HGUWMCBBEZBUTF-UHFFFAOYSA-N 295.100 0.306 50 50 CCGA CCOc1nccc(C(=O)N(C(C)C)C(C)C)c1B(O)O 169747429 ANZPBKCEGYLFFT-UHFFFAOYSA-N 294.160 0.419 50 50 CCGA CCOCCCNC(=O)c1ccc(Cl)c(B(O)O)c1 169744409 BYNJFNAXBLFRFH-UHFFFAOYSA-N 285.536 0.176 50 50 CCGA C[C@@H](Cl)C(=O)N1CCN(C(C)(C)C(N)=O)CC1 1875363787 AFKRNMLJNUUYGR-MRVPVSSYSA-N 261.753 0.022 50 50 CCGA OB(O)c1cncc(-c2nnc(-c3ccccc3)o2)c1 170002320 WQJUYUAIMZRXAB-UHFFFAOYSA-N 267.053 0.478 50 50 CCGA COc1ccc(CN2CCC[C@@H](C(=O)NN)C2)cc1 16662242 CPMPTYWYTMXSJK-GFCCVEGCSA-N 263.341 0.897 50 50 CCGA CC(=O)NNC(=O)c1cc(Br)ccc1O 304966 DWRBQKPEVJDIQH-UHFFFAOYSA-N 273.086 0.936 50 50 CCGA CC1(CC(=O)N/N=C/c2ccccc2O)OCCO1 300959 CFWLSYPGZHZFSZ-NTEUORMPSA-N 264.281 0.995 50 50 CCGA Cc1nn(C)c(NNC(=O)[C@H]2C[C@@]23CCOC3)c1C#N 1875344666 IMOGSKWOVXBOGS-ZWNOBZJWSA-N 275.312 0.470 50 50 CCGA O=C(CN1CCOCC1)N/N=C/c1ccc2c(c1)OCO2 19534863 LDKDBHQAHLOQDC-OVCLIPMQSA-N 291.307 0.198 50 50 CCGA O=C(N/N=C/C=N/NC(=O)c1cccnc1)c1cccnc1 100290657 ALPAPCPGOUFSRP-ZEELXFFVSA-N 296.290 0.608 50 50 CCGA COc1cc(B(O)O)ccc1NC(=O)OC(C)(C)C 169839162 PAWJDEHKEKNFAN-UHFFFAOYSA-N 267.090 0.722 50 50 CCGA in-vitro C[C@]12C(=O)CC(=O)[C@]1(C)[C@]1(C)C(=O)OC(=O)[C@@]21C 263618520 UENLXKNRCZRCMX-CYDGBPFRSA-N 250.250 0.651 50 50 CCGA in-vitro C[C@@H](Cl)C(=O)NCCn1nc2ccccn2c1=O 1875363514 GRXMXDXRQCWJOS-MRVPVSSYSA-N 268.704 0.240 50 50 CCGA CCOC(=O)CN/C(SC)=C(/C#N)C(=O)OC 252492897 MWUYCZKNVCZNCD-VQHVLOKHSA-N 258.299 0.410 50 50 CCGA CCCN(CCC)S(=O)(=O)c1cccc(B(O)O)c1 169744206 NUYSZOMJDYKRCE-UHFFFAOYSA-N 285.174 0.177 50 50 CCGA CN(C(=O)CCl)[C@H]1CS(=O)(=O)C12CCOCC2 1875374641 BLOVSVNPENYIOA-QMMMGPOBSA-N 281.761 0.030 50 50 CCGA C[C@H](Cl)C(=O)NC1(c2ncon2)CCOCC1 1875377516 GFWUUJKEDZKQMS-ZETCQYMHSA-N 259.693 0.819 50 50 CCGA COCC(=O)NNC(=O)Nc1cc(C)ccc1OC 2852591 AVJZNESLJVBALY-UHFFFAOYSA-N 267.285 0.803 50 50 CCGA CC(C)N1C(=O)N[C@@]2(CCN(C(=O)[C@@H](C)Cl)C2)C1=O 1875380486 QJMOEOYTRUANJE-PRHODGIISA-N 287.747 0.545 50 50 CCGA O=S(=O)(Nc1ccccc1F)c1ccc(B(O)O)cc1 169744322 LGYPQEPGDPRHPJ-UHFFFAOYSA-N 295.100 0.306 50 50 CCGA CCOc1ccccc1C(=O)NNC(=O)CCC(=O)O 2873788 FIXCUMJYLTTZKE-UHFFFAOYSA-N 280.280 0.711 50 50 CCGA O=C(CN1CCSCC1)N/N=C/c1ccoc1 55554712 KVIILCDVJWQDHX-KPKJPENVSA-N 253.327 0.779 50 50 CCGA NNC(=O)CN1CCN(c2ccc(Cl)cc2)CC1 96448555 AOVIAEQDXIXIFS-UHFFFAOYSA-N 268.748 0.452 50 50 CCGA C[C@@H]1CC[C@@H](C)N(C(=O)c2ccc(B(O)O)cc2)C1 584953296 AXFWGYVCRRYTJS-GHMZBOCLSA-N 261.130 0.627 50 50 CCGA CCOc1ccc(Br)c(F)c1B(O)O 169902008 LMVTVSQOUZUDBH-UHFFFAOYSA-N 262.871 0.667 50 50 CCGA O=C(C[n+]1ccccc1)NNC(=O)c1ccccc1 4180227 VAKOLYKWFHUHLZ-UHFFFAOYSA-O 256.285 0.435 50 50 CCGA O=C1OC(=O)[C@@H](Br)[C@@H]1Br 100180979 UKYNESNNFCHAEV-LWMBPPNESA-N 257.865 0.597 50 50 CCGA C[C@@H]1CCCN(C(=O)c2ccc(B(O)O)cc2F)C1 169744081 UYKCMYLBLGDYES-SECBINFHSA-N 265.093 0.378 50 50 CCGA CCn1cnnc1[C@@H]1CN(C(=O)[C@@H](C)Cl)CCO1 1875380759 YXZVUAUQOPXECG-BDAKNGLRSA-N 272.736 0.825 50 50 CCGA NC(=O)NNC(=O)C(=O)Nc1ccc(Cl)c(Cl)c1 5713676 LJWCKVYXQAKJLW-UHFFFAOYSA-N 291.094 0.631 50 50 CCGA O=C(CCl)N(CC(F)F)C1CCS(=O)(=O)CC1 1875375041 OUSQFKXNSCFCJO-UHFFFAOYSA-N 289.731 0.896 50 50 CCGA O=C(NNC(=O)C1CCOCC1)c1cnc(C2CC2)o1 883059491 ZGNHJVGBKZXBCN-UHFFFAOYSA-N 279.296 0.740 50 50 CCGA CC(=O)NC(=O)NC(=O)/C(C#N)=C(/C)NC1CCCC1 252496631 PNKPYGGSENTWNQ-FLIBITNWSA-N 278.312 0.688 50 50 CCGA O=C(NNC(=O)[C@@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)O)c1ccco1 136209616 AEMZZVXFXNECQK-OINDSLJFSA-N 292.291 0.788 50 50 CCGA COc1cccc(C(=O)NNC(=O)CCC(=O)O)c1 2758571 CNEOMKSBGJWHJN-UHFFFAOYSA-N 266.253 0.321 50 50 CCGA O=C(NCc1ccc(B(O)O)s1)OCc1ccccc1 169746206 SQIAUEBFZXVDHP-UHFFFAOYSA-N 291.137 0.854 50 50 CCGA CN(CCO)C1(CNC(=O)CCl)CCCCC1 1875375019 OGCFAJFCHLKCKQ-UHFFFAOYSA-N 262.781 0.968 50 50 CCGA O=C(NCc1ccc(F)cc1)c1cc(B(O)O)ccc1F 169744272 JBIUABLWBGCYTK-UHFFFAOYSA-N 291.062 0.575 50 50 CCGA O=C(CCl)N1CCCC[C@H]1CN1CCOCC1 1875364817 UXTWIZPQZFHARK-NSHDSACASA-N 260.765 0.939 50 50 CCGA Cc1nc2c(c(=O)[nH]1)[C@H](c1cccnc1)C(C#N)=C(N)O2 9668104 DZIFLZPDSYKXJS-SNVBAGLBSA-N 281.275 0.692 50 50 CCGA C=CCc1cccc(C=NNC(=O)c2ccc(=O)[nH]n2)c1O 252680286 YNQZLKGUVXJRFJ-UHFFFAOYSA-N 298.302 0.968 50 50 CCGA O=C1NCCC[C@H]1C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1 225481 RODRKWNQFQTKOE-OXFWXOROSA-N 290.279 0.571 50 50 CCGA OB(O)c1ccc(OC(F)(F)C(F)(F)F)cc1 381690210 CSSLXHOIUFQENY-UHFFFAOYSA-N 255.935 0.900 50 50 CCGA Cc1ncsc1C(=O)NNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 1875271524 ISQSLOBLTNIDLF-KGDYZURWSA-N 293.348 0.636 50 50 CCGA NNC(=O)C[C@@H]1CC(c2cccc([N+](=O)[O-])c2)=NN1 294844 VGZCWWJJXNEMGE-QMMMGPOBSA-N 263.257 0.041 50 50 CCGA CC(C)CCn1cc(B(O)O)c(C(F)(F)F)n1 242614920 PMBCVWJSXDYDPY-UHFFFAOYSA-N 250.029 0.628 50 50 CCGA O=C(O)c1cnc(NS(=O)(=O)CCCl)o1 725256642 ZOCBSJZJNHUEPJ-UHFFFAOYSA-N 254.651 0.353 50 50 CCGA C[C@@H](Cl)C(=O)N1CCC(CS(C)(=O)=O)CC1 309348014 MNXXUZLMMMMXCB-MRVPVSSYSA-N 267.778 0.897 50 50 CCGA CC1CCN(C(=O)c2cc(B(O)O)ccc2F)CC1 169744372 GIITWUFMOCTPNI-UHFFFAOYSA-N 265.093 0.378 50 50 CCGA NNC(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)O 2564499 OZIDQXSMHCUIEM-JTQLQIEISA-N 295.295 0.136 50 50 CCGA CCOC(=O)NNS(=O)(=O)c1ccc(Cl)nc1F 585119460 IDLZWTWOYYCJHP-UHFFFAOYSA-N 297.695 0.814 50 50 CCGA CN1CCN(CCC(=O)N/N=C/c2cccnc2)CC1 19535956 DBOIOVWAUSLKGF-FOWTUZBSSA-N 275.356 0.169 50 50 CCGA O=C(NCc1ccccc1)c1cc(B(O)O)ccc1Cl 169744138 UDSBZCUOKVOHLK-UHFFFAOYSA-N 289.527 0.950 50 50 CCGA CCCCN(CC(=O)NN)S(=O)(=O)c1ccc(C)cc1 5503319 ADJKSYURUDVGQW-UHFFFAOYSA-N 299.396 0.776 50 50 CCGA O=S1(=O)[C@H](Cl)[C@@H](N2CCOCC2)C12CC=CC2 45069175 ZSLGQGQNQNCNBD-ZJUUUORDSA-N 277.773 0.769 50 50 CCGA Nc1cc(NC(=O)OCc2ccccc2)cc(B(O)O)c1 169955200 WMGCITYEMQDOCQ-UHFFFAOYSA-N 286.096 0.697 50 50 CCGA CC1=NNC(=O)[C@@H]1CC(=O)N/N=C(\C)c1ccco1 100609662 ZETQPFIHTLUNII-MBBDXHFBSA-N 262.269 0.632 50 50 CCGA OB(O)c1ccc(OCCNC2CCCCC2)c(F)c1 230552757 XWGHPHYLRUJODN-UHFFFAOYSA-N 281.136 0.807 50 50 CCGA O=C(N/N=C\C=N\NC(=O)c1ccncc1)c1ccncc1 100435215 XHXCXDVWEDOXEB-BUOZRGFLSA-N 296.290 0.608 50 50 CCGA OB(O)c1c(F)cccc1I 169748133 LBSXGVJFWVWITH-UHFFFAOYSA-N 265.818 0.110 50 50 CCGA in-vitro COc1cccc(NC(=O)c2cccc(B(O)O)c2F)c1 169744675 LKJBKFQJYIFHBN-UHFFFAOYSA-N 289.071 0.766 50 50 CCGA COC(=O)N(C)NC(=O)[C@@H]1CC[C@@H]2CCCCN21 908115872 XNQJTKWBOLJZRF-UWVGGRQHSA-N 255.318 0.733 50 50 CCGA O=C1C[C@@H](C(=O)O)SC(NNC(=O)c2ccccc2)=N1 528521 SDQMJKQUWPJOCW-QMMMGPOBSA-N 293.304 0.394 50 50 CCGA COc1ccc2nnc(CNC(=O)[C@@H](C)Cl)n2n1 1875377236 AYQBXEDSBSVFGF-ZCFIWIBFSA-N 269.692 0.376 50 50 CCGA COc1ccc(N2CCS[C@@H]2C(=O)NN)cc1 377813 GNCJGOFUGFKPJD-LLVKDONJSA-N 253.327 0.564 50 50 CCGA COc1ccc(/C=N/NC(=O)c2ccc(O)nn2)cc1 508081 WDQKVQQJWFTJSL-RIYZIHGNSA-N 272.264 0.955 50 50 CCGA Cc1ccc(NC(=O)c2ccc(B(O)O)cc2)cc1 169975010 RIZGBYIWLBWDNQ-UHFFFAOYSA-N 255.082 0.927 50 50 CCGA in-vitro Cc1cc(NC(=O)OC(C)(C)C)c(B(O)O)cn1 169969106 RTBDAEUZHKDEPD-UHFFFAOYSA-N 252.079 0.417 50 50 CCGA COc1ccc(/C=N\NC(=O)Nc2nonc2N)cc1 32609453 DBKRZAZTQZYVIF-MLPAPPSSSA-N 276.256 0.816 50 50 CCGA Cc1nnc([C@H]2COCCN2C(=O)[C@@H](C)Cl)o1 1875366535 SXFXJLQEXIEENU-HTRCEHHLSA-N 259.693 0.905 50 50 CCGA C[C@H](Cl)C(=O)NC[C@H]1CCC[C@@]12NC(=O)NC2=O 1875363954 FSBDQMBWKNYYDY-MVKOHCKWSA-N 273.720 0.108 50 50 CCGA CCOc1ccccc1/C=N/NC(=O)CC1=NNC(=O)C1 102302427 LRXIUCMIEKTPTE-OQLLNIDSSA-N 288.307 0.801 50 50 CCGA O=Cc1c(Br)cc(B(O)O)c(F)c1F 606241680 VJCJGFVJKNHBBX-UHFFFAOYSA-N 264.818 0.220 50 50 CCGA CN(Cc1ccccc1)C(=O)c1ccc(B(O)O)cc1 169745555 LPRWGAHHEXCVJU-UHFFFAOYSA-N 269.109 0.639 50 50 CCGA in-vitro O=C(NCc1ccccc1Cl)c1ccc(B(O)O)cc1 1628440321 YRKLVXMKCMVKAZ-UHFFFAOYSA-N 289.527 0.950 50 50 CCGA CCOC(=O)/C(C#N)=C1/CCCN1CC(N)=S 403674 MEMPWKDBMLRADF-HJWRWDBZSA-N 253.327 0.709 50 50 CCGA Cc1cc(N2CCC[C@@H](NC(=O)[C@H](C)Cl)C2=O)n(C)n1 1875364428 MNVHDZUDZQRTOM-VHSXEESVSA-N 298.774 0.967 50 50 CCGA O=C(CCl)NNC(=O)c1c(O)[nH]c2ccccc2c1=O 18136948 WKYPWNQLZYITNU-UHFFFAOYSA-N 295.682 0.234 50 50 CCGA CS(=O)(=O)NNC(=O)[C@H]1C[C@H]1c1ccccc1 256237 ANXOSWKWMWSEHD-UWVGGRQHSA-N 254.311 0.371 50 50 CCGA O=C(Nc1ccccc1F)c1ccc(F)c(B(O)O)c1 169744195 FPYSUXXFNVPCHM-UHFFFAOYSA-N 277.035 0.897 50 50 CCGA C[C@H](Cl)C(=O)N(C)C1CCS(=O)(=O)CC1 694157737 YVEKYYZAYMRHPK-ZETCQYMHSA-N 253.751 0.649 50 50 CCGA COc1ccc(Cn2cnc3cc(B(O)O)ccc32)cc1 170002234 QYOUIXMSENHNHV-UHFFFAOYSA-N 282.108 0.773 50 50 CCGA COc1ccc(CNCc2ccc(F)c(B(O)O)c2)cc1 230557869 ZKFIGZKBIRDVKD-UHFFFAOYSA-N 289.115 0.804 50 50 CCGA OB(O)c1cc(C(F)(F)F)ncc1Br 169904356 OBSKOYIEHGFTFF-UHFFFAOYSA-N 269.813 0.543 50 50 CCGA COCCOc1ccc(Br)cc1B(O)O 169934835 XLJIYIMLTNUCLP-UHFFFAOYSA-N 274.907 0.154 50 50 CCGA C[C@@H](O)CC(=O)NNC(=O)Nc1ccc(F)cc1F 2855417 CEHDVCSCDQGUCS-ZCFIWIBFSA-N 273.239 0.888 50 50 CCGA OB(O)c1cnc(N2CCCC2)c(C(F)(F)F)c1 394543261 VTCNEOOBUCTRMQ-UHFFFAOYSA-N 260.024 0.380 50 50 CCGA CNC(=S)NNC(=O)c1cccc(N(C)C)c1 13519532 WZGLYEUOECUTLA-UHFFFAOYSA-N 252.343 0.491 50 50 CCGA O=C(NNC(=O)[C@@H]1[C@H]2[C@@H]3CC[C@@H](C3)[C@H]21)c1ncccn1 822911443 MZRDHFOIAJEJOU-REGJCICNSA-N 272.308 0.530 50 50 CCGA CC(C)(C(=O)NNC(=O)c1ccon1)c1cnsc1 2325791906 HPNZEAZXYUBEFU-UHFFFAOYSA-N 280.309 0.870 50 50 CCGA Cc1ocnc1C(=O)NNC(=O)[C@H]1C[C@@H]2CC[C@H](C1)O2 1875310218 IZZPZXUGLSMHQQ-OWUUHHOZSA-N 279.296 0.702 50 50 CCGA O=S(=O)(CCCl)CCS(=O)(=O)CCCl 1718987 FQMRVYDYXSOKHL-UHFFFAOYSA-N 283.198 0.294 50 50 CCGA OB(O)c1ccc(C(F)(F)F)nc1Br 209833848 JOILGSAIOVLPNJ-UHFFFAOYSA-N 269.813 0.543 50 50 CCGA COc1ccc(OC)c(/C=N/NC(=O)[C@@H](C)O)c1 4997105 PIWIESHOBIGXNS-OREIZAMCSA-N 252.270 0.535 50 50 CCGA COCCOc1c(Br)cccc1B(O)O 575442737 PYBQRZIXAAODHL-UHFFFAOYSA-N 274.907 0.154 50 50 CCGA O=C(CCl)NNC(=O)c1cc(Br)c[nH]1 952963891 NBQOVSGSDWEYER-UHFFFAOYSA-N 280.509 0.777 50 50 CCGA O=C(O)/C=C/C(=O)NNC(=O)c1cccc(Cl)c1 2745033 UYLHFDBYICFZTD-SNAWJCMRSA-N 268.656 0.742 50 50 CCGA NC(=O)C1CC2(C1)C[C@@H](NC(=O)CCl)CCS2 1875367637 YTEVTFAGHPSNBB-KAIZJQOQSA-N 276.789 0.871 50 50 CCGA COc1ccc(CC(=O)NNC(C)=O)cc1OC 304969 HAPWEBQEVIWNES-UHFFFAOYSA-N 252.270 0.414 50 50 CCGA COc1c(Br)cc([N+](=O)[O-])c(B(O)O)c1F 575419759 LGRLVTRJWTYSFK-UHFFFAOYSA-N 293.841 0.185 50 50 CCGA OB(O)c1c(Br)ccc(Cl)c1F 169807031 RQWDCSBDDYTXMA-UHFFFAOYSA-N 253.263 0.921 50 50 CCGA OB(O)c1cc(Br)cc(Cl)c1F 169902012 JDUOEAUGCPUWHW-UHFFFAOYSA-N 253.263 0.921 50 50 CCGA CCOC(=O)c1cc2cccc(B(O)O)c2s1 170002529 RGASOPUAYMVNHL-UHFFFAOYSA-N 250.084 0.758 50 50 CCGA C[C@@H](Cl)C(=O)N1CCCN(C(=O)[C@@H]2CCCO2)CC1 1875364917 YAOANYHRAPEMQH-MNOVXSKESA-N 288.775 0.854 50 50 CCGA OB(O)c1ccc(Cl)c(OCc2cccnc2)c1 169951649 FIYZIBCQFDRMGC-UHFFFAOYSA-N 263.489 0.994 50 50 CCGA O=C(O)c1cccc(B(O)O)c1OCc1ccccc1 169978157 HTEZLKZQMJGYQS-UHFFFAOYSA-N 272.065 0.644 50 50 CCGA CC(C)CNC(=O)C(=O)N/N=C/c1cccs1 2892588 VLGZQXIQYNOEDW-NTUHNPAUSA-N 253.327 0.970 50 50 CCGA CC1CCN(Cc2ccc(B(O)O)cc2F)CC1 199006861 OWUVXAWHWWYBBP-UHFFFAOYSA-N 251.110 0.737 50 50 CCGA O=C(Nc1ccccn1)c1ccc(F)c(B(O)O)c1 169744130 PIJUIWVXIXPLSJ-UHFFFAOYSA-N 260.033 0.153 50 50 CCGA O=C(Nc1ccccn1)c1cccc(B(O)O)c1F 169747366 IZOWDBWLBYQXIE-UHFFFAOYSA-N 260.033 0.153 50 50 CCGA COc1ccc(/C=N/NC(=O)C[C@H]2C(=O)NN=C2C)cc1 100355068 DVPUNHQWSJSDMV-AZZDOICSSA-N 288.307 0.657 50 50 CCGA COc1cccc(B(O)O)c1C(=O)N(C(C)C)C(C)C 169852315 GQBLFRRWTANPPG-UHFFFAOYSA-N 279.145 0.634 50 50 CCGA in-vitro CC(C)(C)OC(=O)n1c(B(O)O)cc2cnccc21 261493851 KRXKAIXWQKYUFQ-UHFFFAOYSA-N 262.074 0.499 50 50 CCGA Cc1nc(C)n(C[C@H]2CN(C(=O)[C@@H](C)Cl)CCO2)n1 1875364760 SWEZOXKQVGZOAQ-LDYMZIIASA-N 286.763 0.750 50 50 CCGA CCCC(=O)NNC(=O)[C@H]1C(=O)Nc2ccccc2C1=O 205747769 BWNAZBRASCLECC-LLVKDONJSA-N 289.291 0.385 50 50 CCGA Cc1cc(C(=O)NNC(=O)[C@@H]2CCc3cccnc32)no1 2325786620 IBKDDXCQIMBERY-SNVBAGLBSA-N 286.291 0.869 50 50 CCGA [O-][n+]1c(CO)c(CBr)[n+]([O-])c2ccccc21 71772411 SGFWOJFIRFFPHE-UHFFFAOYSA-N 285.097 0.494 50 50 CCGA CCC(=O)NNC(=O)C(=O)Nc1ccc(F)cc1F 170595996 YEXQAINXZCJGSW-UHFFFAOYSA-N 271.223 0.461 50 50 CCGA O=C[C@@H](Br)[C@@H](Br)C(=O)O 5494297 AOCBQUQBXIZZSC-PWNYCUMCSA-N 259.881 0.797 50 50 CCGA C[C@H](Cl)C(=O)N1CCOC[C@@H](n2cccn2)C1 1875375588 FJKJYKYLJQPTFK-UWVGGRQHSA-N 257.721 0.910 50 50 CCGA O=C(CCl)NC[C@@]1(O)[C@@H]2[C@@H]3[C@H]4[C@H]5C[C@@H]3[C@H]1[C@@H]5C[C@H]42 1875375474 CEJMEIFBVSWQSN-OFLRAKSMSA-N 267.756 0.850 50 50 CCGA CC1=NNC(=O)[C@@H]1CC(=O)N/N=C/c1ccc(O)cc1 100567831 LXHQHAUAZUQPKV-LLUUXILJSA-N 274.280 0.354 50 50 CCGA CC1CCN(c2cc(B(O)O)cc(F)c2F)CC1 230537550 LDOSUNQKCJAJGV-UHFFFAOYSA-N 255.073 0.881 50 50 CCGA C[C@H](NC(=O)[C@@H](F)Cl)c1nnc2n1CCOC2 2325901521 JPHFSYNOPVKFRF-CAHLUQPWSA-N 262.672 0.520 50 50 CCGA C=CCNC(=S)NNC(=O)c1ccc(OC)c(OC)c1 3071119 SXZJAJXXKPFXJD-UHFFFAOYSA-N 295.364 0.999 50 50 CCGA CN1CCN(CCC(=O)N/N=C/c2ccccc2O)CC1 19535928 OQOOCOXMEDGWQJ-FOWTUZBSSA-N 290.367 0.480 50 50 CCGA O=C(CN(C[C@H]1CCCO1)C(=O)CCl)N1CCCC1 1875364551 NXDZPQKXDKZEJG-LLVKDONJSA-N 288.775 0.855 50 50 CCGA CCOc1ccccc1NC(=O)NNC(N)=S 4795195 GQBVUBBPPYLSCI-UHFFFAOYSA-N 254.315 0.955 50 50 CCGA Cn1nccc1N1CCC[C@H](NC(=O)CCl)C1=O 1875367748 JNTZURBJFNHEBB-QMMMGPOBSA-N 270.720 0.271 50 50 CCGA O=C(CNC(=O)c1ccccc1)N/N=C/c1ccncc1 1754319 QPKHQJWYZNUALY-VCHYOVAHSA-N 282.303 0.962 50 50 CCGA NNC(=O)CP(=O)(c1ccccc1)c1ccccc1 1489 PMHFLBQRALFMRT-UHFFFAOYSA-N 274.260 0.990 50 50 CCGA biogenic,in-man COC(=O)c1ccc(NCc2ccccc2B(O)O)cc1 206975344 GLKMTPGJBUGOKE-UHFFFAOYSA-N 285.108 0.765 50 50 CCGA COc1cc(/C=N/NC(=O)C(=O)NC(C)C)ccc1O 2901354 MLCUOFPMUZVPJK-VGOFMYFVSA-N 279.296 0.376 50 50 CCGA C[C@H]1CC[C@H](C)N(C(=O)c2cc(B(O)O)ccc2F)C1 584953626 FFDRBRBEPLMIEK-UWVGGRQHSA-N 279.120 0.766 50 50 CCGA CS(=O)(=O)c1ccc(NC(=O)[C@H](F)Cl)cn1 1875362198 VDPNEIAVWKRQBM-ZETCQYMHSA-N 266.681 0.958 50 50 CCGA Cn1cc(C(N)=O)c([C@H]2CCCN(C(=O)CCl)C2)n1 1875377963 SEMUPXFUPZFRLR-QMMMGPOBSA-N 284.747 0.464 50 50 CCGA C[C@@H](C(=O)NN)n1cnc2sc3c(c2c1=O)CCCC3 150422 CHBGJFVSPYVEFD-ZETCQYMHSA-N 292.364 0.888 50 50 CCGA CC(=O)OCC1=C[C@H]2[C@@H]1[C@@H]1C=C[C@H]2[C@H]2C(=O)OC(=O)[C@@H]12 254623058 HEPGNZNJPRYADJ-PDWLFKFUSA-N 274.272 0.854 50 50 CCGA Nc1nonc1NC(=O)N/N=C\c1ccc([N+](=O)[O-])o1 4480603 HEWWUYIXFPACSF-KMKOMSMNSA-N 281.188 0.309 50 50 CCGA Cc1ccc(S(=O)(=O)NNC(=O)c2ncccn2)cc1 1875320938 OJOYUFNVXXATCA-UHFFFAOYSA-N 292.320 0.408 50 50 CCGA Cc1nn(CCC(=O)NN)c(C)c1Br 374075 AUVRVCHPAVPNPM-UHFFFAOYSA-N 261.123 0.642 50 50 CCGA CO[Si](CCC[C@H]1CC(=O)OC1=O)(OC)OC 195997775 ZADOWCXTUZWAKL-QMMMGPOBSA-N 262.334 0.734 50 50 CCGA O=C(Nc1ccc(F)cc1)c1cccc(B(O)O)c1 169745027 CKFWDDBBHPLQCY-UHFFFAOYSA-N 259.045 0.758 50 50 CCGA in-vitro C[C@H](Cl)C(=O)N1CCN(C2(C(N)=O)CCCC2)CC1 1875364849 VZVHMRRWNJVRPJ-JTQLQIEISA-N 287.791 0.556 50 50 CCGA N#CC1=C(N)Oc2nc(=O)[nH]c(O)c2[C@H]1c1ccccc1 48873 AWRKKZHOOOURIQ-VIFPVBQESA-N 282.259 0.694 50 50 CCGA biogenic,in-vitro C[C@]1(c2ccccc2)C[C@H]1C(=O)NNC(=O)CCC(=O)O 3141596 LGNOWUHVQARTSS-XHDPSFHLSA-N 290.319 0.976 50 50 CCGA C=C(C)[C@@H]1OCCC[C@H]1C(=O)NNC(=O)c1ccon1 2325781172 SQVQXBYURKKHBL-KOLCDFICSA-N 279.296 0.807 50 50 CCGA Cc1c(C(=O)NN)nnn1-c1ccc(Cl)cc1 44842035 HPBKSTWHJDKOKY-UHFFFAOYSA-N 251.677 0.833 50 50 CCGA COc1c([N+](=O)[O-])cc(Br)c(B(O)O)c1F 675050791 ZCAKXUZLKNLTNQ-UHFFFAOYSA-N 293.841 0.185 50 50 CCGA N#Cc1ccc(NC(=O)c2cccc(B(O)O)c2)cc1 169745150 WDWVOWXKMQNJOX-UHFFFAOYSA-N 266.065 0.490 50 50 CCGA in-vitro O=C(CCl)NCCCCCNC(=O)CCl 1689401 YHXXCHVUPKCXGH-UHFFFAOYSA-N 255.145 0.867 50 50 CCGA O=C(NNC(=O)C(Cl)Cl)C(Cl)Cl 95783706 WOJKJUQKPSGJCT-UHFFFAOYSA-N 253.900 0.741 50 50 CCGA CC(C)(C)OC(=O)N1CCc2c(cccc2B(O)O)C1 206040866 RYEDQRIJUDZLTG-UHFFFAOYSA-N 277.129 0.660 50 50 CCGA O=C(NNC(=O)[C@H]1CCCCO1)c1ccnc(C2CC2)n1 833251514 ZJCZZIJVUIFLHS-LLVKDONJSA-N 290.323 0.684 50 50 CCGA C/C(CC(=O)NC(C)(C)C)=N\NC(=O)c1cnccn1 100307132 MVIYARUTFQWIJG-RQZCQDPDSA-N 277.328 0.887 50 50 CCGA COc1cc(C(=O)NNC(C)=O)cc(OC)c1OC 498390 ZTJBPMCTLOJGAX-UHFFFAOYSA-N 268.269 0.493 50 50 CCGA Cc1cccc(CNC(=O)c2cccc(B(O)O)c2F)c1 169744663 MHHWVSVVCKIUCO-UHFFFAOYSA-N 287.099 0.744 50 50 CCGA CC1=NNC(=O)[C@H]1CCC(=O)N/N=C/c1ccco1 100508101 LCISRSDCGKLTOE-JLATVTFTSA-N 262.269 0.632 50 50 CCGA C[C@H](Cl)C(=O)NCCS(=O)(=O)C(C)(C)C 1875255275 OGJUKAYRUCEHAK-ZETCQYMHSA-N 255.767 0.943 50 50 CCGA C[C@H](Cl)C(=O)NC[C@H]1CC[C@@H](C(=O)N(C)C)O1 1875378301 ZATJCXFHOCRZSZ-YIZRAAEISA-N 262.737 0.366 50 50 CCGA C[C@H](Cl)C(=O)N1CCN(C(=O)c2cnn(C)c2)[C@@H](C)C1 1875387725 UTNGRTQWEAAOKY-UWVGGRQHSA-N 298.774 0.720 50 50 CCGA O=C(CCCO)NN=Cc1ccccc1[N+](=O)[O-] 245235578 LWCVSEXCZUTKMC-UHFFFAOYSA-N 251.242 0.817 50 50 CCGA COc1ccc(COc2ccccc2B(O)O)cc1 169903554 YVWFATUNDBQXOZ-UHFFFAOYSA-N 258.082 0.954 50 50 CCGA CCN1CCN([C@H](C)c2cccc(B(O)O)c2)CC1 230551291 FIEGODVIRPDBCI-GFCCVEGCSA-N 262.162 0.065 50 50 CCGA COc1ccc(NC(=O)c2ccc(B(O)O)cc2)cc1 169975012 NFMDDKGEWJLUGO-UHFFFAOYSA-N 271.081 0.627 50 50 CCGA CNC(=O)C(=O)N/N=C/c1c(O)ccc2ccccc12 2870298 MYPIEZRGQRRVTD-LZYBPNLTSA-N 271.276 0.742 50 50 CCGA NNC(=O)c1ccc(CNC(=O)C(Cl)Cl)cc1 86680 CRGLCJMXBGXUSZ-UHFFFAOYSA-N 276.123 0.710 50 50 CCGA OB(O)c1cnc(N2CCCCC2)c(C(F)(F)F)c1 1772572577 PCLWPALGDCIYAQ-UHFFFAOYSA-N 274.051 0.771 50 50 CCGA CCN(CC)C(=O)C(=O)N/N=C/c1ccccc1O 2892356 KWOMBTSKDDTHSI-NTEUORMPSA-N 263.297 0.711 50 50 CCGA CC(C)C(=O)OC(=O)C[C@@H](O)C(=O)OC(=O)C(C)C 514277679 KKKSODYZZKTXSX-MRVPVSSYSA-N 274.269 0.189 50 50 CCGA C[C@H](Cl)C(=O)N1CC(S(=O)(=O)NC2CCCC2)C1 1875366435 JAQCSCJVZNDQOD-QMMMGPOBSA-N 294.804 0.687 50 50 CCGA CC(C)(SSC(C)(C)[C@@H](N)C(=O)O)[C@@H](N)C(=O)O 1562120 POYPKGFSZHXASD-WDSKDSINSA-N 296.414 0.749 50 50 CCGA in-vitro NNC(=O)c1nc(-c2cn(-c3cccc(F)c3)nn2)no1 57352130 NPUZPDNQGIQECZ-UHFFFAOYSA-N 289.230 0.060 50 50 CCGA in-vitro CCn1cnnc1[C@H]1CN(C(=O)[C@H](C)Cl)CCO1 1875380760 YXZVUAUQOPXECG-DTWKUNHWSA-N 272.736 0.825 50 50 CCGA NNC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 168414 TXRAIHPUMFTNEB-UHFFFAOYSA-N 283.353 0.077 50 50 CCGA CS(=O)(=O)c1ccc(NC(=O)[C@@H](F)Cl)cn1 1875362197 VDPNEIAVWKRQBM-SSDOTTSWSA-N 266.681 0.958 50 50 CCGA CN1CCO[C@@H](CN(CC2CC2)C(=O)CCl)C1 1875366389 GNHVLOZIXTXLRG-LLVKDONJSA-N 260.765 0.794 50 50 CCGA O=C(CCl)NCc1c(O)nnc2c1CCCC2 1875367523 KPDOKZTXSQRTHK-UHFFFAOYSA-N 255.705 0.916 50 50 CCGA Cc1ccc(=O)n([C@H](C(=O)NN)c2ccccc2)n1 71771920 GCTCSMMJWBAMJS-LBPRGKRZSA-N 258.281 0.131 50 50 CCGA OB(O)c1ccc(OCCNC2CCCC2)c(F)c1 230551534 NOTUDRJVGWLSDS-UHFFFAOYSA-N 267.109 0.417 50 50 CCGA O=C(Nc1ccccn1)c1cc(F)cc(B(O)O)c1 169744106 HJKLKWVIKNPVGM-UHFFFAOYSA-N 260.033 0.153 50 50 CCGA CN1CCC(=NNC(=O)C(=O)Nc2ccccc2)CC1 55433424 VEOISBCEMHDUKW-UHFFFAOYSA-N 274.324 0.823 50 50 CCGA CC1=NNC(=O)[C@H]1CCC(=O)N/N=C/c1ccccn1 100557136 ZWIYJIPBNBXWJR-UXYFDLPDSA-N 273.296 0.434 50 50 CCGA CC1CCN(c2ccc(B(O)O)c(F)c2F)CC1 230543798 DJEHDFUPGWWFGH-UHFFFAOYSA-N 255.073 0.881 50 50 CCGA O=C(CCl)NCCN1C[C@@H]2CCCCN2C1=O 1329862176 GJDSGRZRKMZKJN-VIFPVBQESA-N 259.737 0.632 50 50 CCGA CC(C)N1C(=O)N[C@]2(CCN(C(=O)[C@H](C)Cl)C2)C1=O 1875380488 QJMOEOYTRUANJE-UFBFGSQYSA-N 287.747 0.545 50 50 CCGA O=C(NCCCNS(=O)(=O)C(F)F)[C@@H](F)Cl 2325820735 VKGWPUGTJVSBOG-SCSAIBSYSA-N 282.671 0.169 50 50 CCGA C[C@@H](Cl)C(=O)N1CCC[C@@H](N2CCNC2=O)C1 1875363636 OMBDMMCQTVRGTG-RKDXNWHRSA-N 259.737 0.630 50 50 CCGA Cn1ccnc1[C@](O)(CCNC(=O)CCl)C(F)(F)F 1323268508 FDOFROVSKULNPE-SECBINFHSA-N 299.680 0.915 50 50 CCGA O=C(NNC(=O)[C@@H]1C[C@H]1c1ccco1)c1ccon1 2325764077 LKNPPCZCYTZNGY-HTQZYQBOSA-N 261.237 0.832 50 50 CCGA CC(C)(C)OC(=O)NCc1cccc(B(O)O)c1 169745312 YHAQUGOSDQZIMA-UHFFFAOYSA-N 251.091 0.391 50 50 CCGA in-vitro COC(=O)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@H]2Br 245254776 BXVYBBSXCGDGSK-GBFNJJICSA-N 275.098 0.730 50 50 CCGA CC(C)COc1ncc(C(F)(F)F)cc1B(O)O 169934119 XNIVHYIBMDZMCA-UHFFFAOYSA-N 263.024 0.815 50 50 CCGA in-vitro COCC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 17083875 FKPSLYGJAZJPKN-UHFFFAOYSA-N 253.214 0.002 50 50 CCGA O=C(c1ccc(B(O)O)c(F)c1)N1CCCCC1 169744649 AEPOPOPNJZJRMQ-UHFFFAOYSA-N 251.066 0.132 50 50 CCGA C[C@H](Cl)C(=O)N1CCN(C(C)(C)C(N)=O)CC1 1875363788 AFKRNMLJNUUYGR-QMMMGPOBSA-N 261.753 0.022 50 50 CCGA O=C(NNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21)c1ccccn1 929111440 WWYZIWKWMVYTAK-TWXYISROSA-N 273.292 0.266 50 50 CCGA NNC(=O)C[C@H]1CC(c2cccc([N+](=O)[O-])c2)=NN1 294843 VGZCWWJJXNEMGE-MRVPVSSYSA-N 263.257 0.041 50 50 CCGA CN(Cc1ccccc1)C(=O)c1cccc(B(O)O)c1F 169744692 TZCRKAUVPLIFNI-UHFFFAOYSA-N 287.099 0.778 50 50 CCGA C[C@@H](Cl)C(=O)NCc1ccnc(N2CCN(C)CC2)n1 1875366521 RRUXIWLODPRSRA-SNVBAGLBSA-N 297.790 0.472 50 50 CCGA O=S(=O)(CBr)N1CCC[C@@H]2O[C@H]2C1 104309648 VDJMPLQONJOUDS-BQBZGAKWSA-N 270.148 0.532 50 50 CCGA O=C(Nc1ccccc1)c1ccc(B(O)O)cc1F 169745548 FVSONGWHQODJHA-UHFFFAOYSA-N 259.045 0.758 50 50 CCGA C[C@@H](Cl)C(=O)N1CCN(Cc2ccnn2C)CC1 1875376306 RYPQQJZDFPVVML-SNVBAGLBSA-N 270.764 0.692 50 50 CCGA CC(C)(C)OC(=O)Nc1c(F)ccc(B(O)O)c1F 228983938 OFLSRPSCYOUXEV-UHFFFAOYSA-N 273.044 0.992 50 50 CCGA CCN(CCCl)c1c[nH]c(=O)n(CCCl)c1=O 97973084 NNXNBXZJQQXRAW-UHFFFAOYSA-N 280.155 0.841 50 50 CCGA O=C(N/N=C/c1ccncc1)C(=O)N/N=C/c1ccncc1 2819748 VKLLLYKQFPEISM-BEQMOXJMSA-N 296.290 0.077 50 50 CCGA CCOC(=O)CCC(=O)NNCC(=O)OC(C)(C)C 216625111 YEXZQVJYODCDGT-UHFFFAOYSA-N 274.317 0.292 50 50 CCGA CCCOc1c(Br)cccc1B(O)O 169877062 QILIDAIRUWTFHF-UHFFFAOYSA-N 258.908 0.918 50 50 CCGA O=C(Cc1cccs1)NNC(=S)NC[C@H]1CCCO1 610111 RVDMQHQELOMTHM-SECBINFHSA-N 299.421 0.965 50 50 CCGA C=CCNC(=S)NNC(=O)c1cc(O)ccc1O 13544945 XOQRREFZXJWNDO-UHFFFAOYSA-N 267.310 0.393 50 50 CCGA Cc1cccc(-n2nc(C(=O)NN)c(C)c(C#N)c2=O)c1 13941758 SKMJARCNIKKARZ-UHFFFAOYSA-N 283.291 0.325 50 50 CCGA CC(C)CCS(=O)(=O)c1ccc(B(O)O)cc1 169746764 KKKVMNLHOXHWHZ-UHFFFAOYSA-N 256.132 0.186 50 50 CCGA in-vitro O=C(NCCc1ccccc1)c1ccc(B(O)O)cc1 169745652 VTXXKSNJPIRHMK-UHFFFAOYSA-N 269.109 0.339 50 50 CCGA in-vitro CCCCNC(=O)c1ccc(Cl)c(B(O)O)c1 169744443 YYANMBCYGCAFBY-UHFFFAOYSA-N 255.510 0.550 50 50 CCGA NS(=O)(=O)c1sccc1CNC(=O)CCl 1875378097 VQCHFERZQDORCG-UHFFFAOYSA-N 268.747 0.251 50 50 CCGA C[C@H](Cl)C(=O)N1CCC[C@H](N2CCNC2=O)C1 1875363635 OMBDMMCQTVRGTG-IUCAKERBSA-N 259.737 0.630 50 50 CCGA O=C1C[C@@H](NC(=O)c2ccc(Cl)cc2)C(=O)O1 103706397 RTOBBYSHVPFFSQ-MRVPVSSYSA-N 253.641 0.912 50 50 CCGA C[C@H](Cl)C(=O)N[C@H]1CCC[C@@H]1CNS(C)(=O)=O 1875376116 MQUITVBLPMINFF-YIZRAAEISA-N 282.793 0.448 50 50 CCGA CC1=NNC(=O)[C@H]1CCC(=O)N/N=C/c1cccc(O)c1 100576045 UVLHVGHAXLLWKF-AAWHYMEISA-N 288.307 0.744 50 50 CCGA C[C@H](Cl)C(=O)NC[C@@H]1CC(=O)N(C)[C@H]1c1nccn1C 1875380201 IDTFXZRTSJYGSE-ATZCPNFKSA-N 298.774 0.683 50 50 CCGA O=C(O)CCC(=O)NNC(=O)Cc1ccccc1 2968407 BVEFYZQBMVBVDJ-UHFFFAOYSA-N 250.254 0.241 50 50 CCGA O=C[C@@H](Br)[C@H](Br)C(=O)O 5494296 AOCBQUQBXIZZSC-GBXIJSLDSA-N 259.881 0.797 50 50 CCGA Cn1c(SCC(=O)NN)nnc1-c1ccccc1 139167 PTFBUFRHYZZYCU-UHFFFAOYSA-N 263.326 0.564 50 50 CCGA CCOC(CCOc1ccc(B(O)O)cc1)OCC 169933380 ZVPILWNKTDFIQE-UHFFFAOYSA-N 268.118 0.534 50 50 CCGA CC(C)(C)OC(=O)NCc1ccc(B(O)O)s1 169746178 LCYICDNCCZCYQI-UHFFFAOYSA-N 257.120 0.453 50 50 CCGA C[C@H]1CCCN(C(=O)c2cc(B(O)O)ccc2F)C1 169744325 KTRFMZZGVATYBF-VIFPVBQESA-N 265.093 0.378 50 50 CCGA CCn1cc(C(=O)NN)c(=O)c2cc([N+](=O)[O-])ccc21 447481 VOONEORLJJQDSS-UHFFFAOYSA-N 276.252 0.533 50 50 CCGA NC(=O)c1cccc(C(=O)NNc2ncccc2Cl)n1 782118107 QNABTAWVJJHRBA-UHFFFAOYSA-N 291.698 0.986 50 50 CCGA CC1CCN(Cc2cc(F)ccc2B(O)O)CC1 230526680 OUSQDRDMIMYDGR-UHFFFAOYSA-N 251.110 0.737 50 50 CCGA O=C(N/N=C/c1ccccc1O)c1cc[n+](CCO)cc1 6884420 QXCNESQNQMCIDF-UHFFFAOYSA-O 286.311 0.436 50 50 CCGA CN1CCC(=NNC(=O)C(=O)NC2CCCC2)CC1 55455739 PCOJVUMLPYCOKQ-UHFFFAOYSA-N 266.345 0.243 50 50 CCGA Nc1cc(B(O)O)cc(C(=O)NC2CCCCC2)c1 169978027 UHPMORQFYZTQOD-UHFFFAOYSA-N 262.118 0.011 50 50 CCGA Cn1cc(C(N)=O)c([C@@H]2CCCN(C(=O)CCl)C2)n1 1875377962 SEMUPXFUPZFRLR-MRVPVSSYSA-N 284.747 0.464 50 50 CCGA O=C(NNC(=O)[C@@H]1[C@H]2CCCC(=O)[C@H]21)c1ccccn1 2325804920 CRISQMYWOUBKCV-KPXOXKRLSA-N 273.292 0.458 50 50 CCGA C[C@H]1CC[C@@H](C)CN1C(=O)c1cc(B(O)O)ccc1F 584953628 FFDRBRBEPLMIEK-ZJUUUORDSA-N 279.120 0.766 50 50 CCGA Cc1nonc1C(=O)N/N=C/c1ccc2c(c1)OCO2 175098 KQTNSKWHGAHHBT-WLRTZDKTSA-N 274.236 0.871 50 50 CCGA COc1ccc([C@H]2C(C#N)=C(N)Oc3nc[nH]c(=O)c32)cc1 17918453 PNAPHIXBFWMEGL-NSHDSACASA-N 296.286 0.997 50 50 CCGA C[C@]1(C(=O)NNC(=O)c2cnc(C3CC3)o2)CCCO1 880162213 UQEUJBJFFBSWGE-CYBMUJFWSA-N 279.296 0.882 50 50 CCGA NS(=O)(=O)c1cc(NC(=O)[C@H](F)Cl)cs1 2325898755 YOBNIBBFVLWORC-YFKPBYRVSA-N 272.710 0.868 50 50 CCGA O=C(c1cc(F)cc(B(O)O)c1)N1CCCCC1 169745531 NOYBFSLBXRVANN-UHFFFAOYSA-N 251.066 0.132 50 50 CCGA in-vitro CC1(C)CC(=O)C(C#N)=C(N(CCO)CCO)C1 5423956 WCZOTXUKRWEGMU-UHFFFAOYSA-N 252.314 0.440 50 50 CCGA C[C@@]1(C(=O)NNC(=O)c2cnc(C3CC3)o2)CCCO1 880162215 UQEUJBJFFBSWGE-ZDUSSCGKSA-N 279.296 0.882 50 50 CCGA CCOc1ccc(NC(=O)C(=O)NNC(=S)NC)cc1 5842024 VESIHAZTKNNOPT-UHFFFAOYSA-N 296.352 0.149 50 50 CCGA O=S(=O)(Nc1ccccc1)c1ccc(B(O)O)cc1 169744232 ZDRXITMTSNTJGD-UHFFFAOYSA-N 277.110 0.167 50 50 CCGA O=C(Cc1nnc(O)[nH]c1=O)N/N=C/C=C/c1ccccc1 1781645 NWROYOQUAYLGCL-DUEVJXGLSA-N 299.290 0.228 50 50 CCGA CC(C)(C)OC(=O)NCC1(NC(=O)CCl)COC1 1875370007 WKXCXFHZENLWMJ-UHFFFAOYSA-N 278.736 0.635 50 50 CCGA O=C(CN(C[C@@H]1CCCO1)C(=O)CCl)N1CCCC1 1875364552 NXDZPQKXDKZEJG-NSHDSACASA-N 288.775 0.855 50 50 CCGA N#Cc1ccccc1COc1cccc(B(O)O)c1 169922515 DXKOXHWUUJRLHR-UHFFFAOYSA-N 253.066 0.817 50 50 CCGA in-vitro O=C(CCl)NCC[C@@]1(O)C(=O)Nc2ccccc21 1875375154 SFJQRJBQOMPAQC-LBPRGKRZSA-N 268.700 0.571 50 50 CCGA OB(O)c1ccc(F)c([C@@H](O)c2ccc(F)cc2)c1 169978169 GJXPMKNGWBKISH-ZDUSSCGKSA-N 264.036 0.726 50 50 CCGA C/C=C/C=N/NC(=O)CNC(=O)NCc1ccco1 2141356 CFFNFOFPHVCTEO-ZGQXEMDOSA-N 264.285 0.757 50 50 CCGA Cc1ocnc1C(=O)NNC(=O)[C@@H]1CO[C@@H]2CCCC[C@H]12 2325783760 ZMXSAMMQMQIXQI-GMTAPVOTSA-N 293.323 0.949 50 50 CCGA CCCCn1c(C)nc2cc(B(O)O)c(F)cc21 170001897 OWLNZIIKJMMDNX-UHFFFAOYSA-N 250.082 0.964 50 50 CCGA C[C@H](Cl)C(=O)NC[C@@H]1CC[C@@H](C(=O)N(C)C)O1 1875378298 ZATJCXFHOCRZSZ-CIUDSAMLSA-N 262.737 0.366 50 50 CCGA CCOc1ccc(NC(=O)NNC(N)=S)cc1 2166104 PJAHKEMRLFVWFW-UHFFFAOYSA-N 254.315 0.955 50 50 CCGA CCS(=O)(=O)N1CCN(C(=O)[C@H](C)Cl)[C@H](C)C1 1875376240 PQJZQWOMHUKKJH-BDAKNGLRSA-N 282.793 0.496 50 50 CCGA CNC(=S)NNC(=O)COc1ccccc1C 8666835 XAMVXDUMEPAEKD-UHFFFAOYSA-N 253.327 0.499 50 50 CCGA O=C(CCl)NCc1cc(=O)n2ccccc2n1 1875378323 ZTVLMGVMVRDUIA-UHFFFAOYSA-N 251.673 0.550 50 50 CCGA C=CCNC(=S)NNC(=O)COc1ccccc1 3071121 UKABNZQHTFTZAX-UHFFFAOYSA-N 265.338 0.747 50 50 CCGA COC(=O)c1ccc(OC(F)(F)F)cc1B(O)O 169904793 ZABYKLZZNFPGSV-UHFFFAOYSA-N 263.964 0.052 50 50 CCGA in-vitro O=C(NNC(=S)Nc1cccnc1)C1CCOCC1 169810909 DOMHWFOHFQYNQO-UHFFFAOYSA-N 280.353 0.826 50 50 CCGA Cc1nnc([C@@H]2COCCN2C(=O)[C@@H](C)Cl)o1 1875366537 SXFXJLQEXIEENU-SVRRBLITSA-N 259.693 0.905 50 50 CCGA OB(O)c1cc(F)c(F)c(Br)c1F 1857783261 MXVVQUAQDGEKDZ-UHFFFAOYSA-N 254.798 0.546 50 50 CCGA O=C(NNc1ccc(F)cc1)[C@H]1CN2CCCN1CC2 378301373 JPFZUZGHMPBOFZ-CYBMUJFWSA-N 278.331 0.659 50 50 CCGA O=C(NNC(=O)C1CCCC1)c1[nH]nnc1C1CC1 2325804518 VTNOKVBTPBWOEM-UHFFFAOYSA-N 263.301 0.633 50 50 CCGA OB(O)c1cc(C(F)(F)F)nn1[C@H]1CCCCO1 169744800 IIRVABFYRULQMI-MRVPVSSYSA-N 264.012 0.281 50 50 CCGA in-vitro COC(=O)c1cc(NC(=O)OC(C)(C)C)cc(B(O)O)c1 170010382 PLVWSJLJTXOVHI-UHFFFAOYSA-N 295.100 0.500 50 50 CCGA C[C@@H]1CCCN(C(=O)c2cc(B(O)O)ccc2F)C1 169744324 KTRFMZZGVATYBF-SECBINFHSA-N 265.093 0.378 50 50 CCGA C=CCNC(=O)C(=O)N/N=C/c1ccc2c(c1)OCCO2 4953799 VYSDEKYSWCCQJJ-CXUHLZMHSA-N 289.291 0.210 50 50 CCGA CC(C)(C)OC(=O)N1Cc2ccc(B(O)O)cc2C1 238213640 WEDAKYYFYNWLMC-UHFFFAOYSA-N 263.102 0.617 50 50 CCGA CC(=O)OCC1=C[C@H]2[C@@H]1[C@@H]1C=C[C@H]2[C@H]2C(=O)OC(=O)[C@H]12 254623054 HEPGNZNJPRYADJ-HDLKOFKZSA-N 274.272 0.854 50 50 CCGA COC(=O)CNC(=O)NNC(=O)c1ccc(C)cc1C 165943588 YEWAFDLMMHAPKQ-UHFFFAOYSA-N 279.296 0.420 50 50 CCGA Cc1cc(F)ccc1C(=O)NNC(=O)CN1CCCC1=O 585137560 FPVLJFIYVWRRPC-UHFFFAOYSA-N 293.298 0.518 50 50 CCGA COc1cc2cc(C(=O)NN)[nH]c2c(OC)c1OC 8472677 FVZOTMXXWIEWDF-UHFFFAOYSA-N 265.269 0.797 50 50 CCGA O=[N+]([O-])c1c(Br)ccc(B(O)O)c1F 306825429 WSVZFSKMKFZRKF-UHFFFAOYSA-N 263.815 0.176 50 50 CCGA COc1ccc(B(O)O)cc1OCc1ccccc1 169794599 GKHSIZCQILKQCU-UHFFFAOYSA-N 258.082 0.954 50 50 CCGA in-vitro CN(C(=O)OC(C)(C)C)c1ccc(B(O)O)cn1 169905208 YUYFBQXOHVMJOA-UHFFFAOYSA-N 252.079 0.133 50 50 CCGA in-vitro Nc1nnc(CC(=O)N/N=C/c2cccs2)s1 436305 LNTKCQYBMOQOES-VZUCSPMQSA-N 267.339 0.875 50 50 CCGA O=C(NCc1cccc(F)c1)c1cccc(B(O)O)c1F 169744702 JMDFNSLHEFABJU-UHFFFAOYSA-N 291.062 0.575 50 50 CCGA O=C(NCc1ccc(Cl)cc1)c1ccc(B(O)O)cc1 1587060683 HVKLCLAPRJJDSV-UHFFFAOYSA-N 289.527 0.950 50 50 CCGA C=CCNC(=S)NNC(=O)c1cccc([N+](=O)[O-])c1 4693883 WVUQLMAHVIIWID-UHFFFAOYSA-N 280.309 0.890 50 50 CCGA CCn1cnnc1[C@H]1CN(C(=O)[C@@H](C)Cl)CCO1 1875380762 YXZVUAUQOPXECG-RKDXNWHRSA-N 272.736 0.825 50 50 CCGA O=C(Nc1ccccc1F)c1ccc(B(O)O)c(F)c1 169744529 RVSNRRKWXYGBPP-UHFFFAOYSA-N 277.035 0.897 50 50 CCGA O=C(NNC(=O)[C@H]1CCOC1)c1coc(C2CCC2)n1 766958320 CSGLWYLIMKTOLQ-VIFPVBQESA-N 279.296 0.740 50 50 CCGA O=C(NCc1ccccn1)C(=O)N/N=C/c1ccccc1O 38154168 ZCDFGGVENWWLQQ-GIJQJNRQSA-N 298.302 0.554 50 50 CCGA N#Cc1cccc(COc2ccc(B(O)O)cc2)c1 169922450 WXDTXGCOBVDLQR-UHFFFAOYSA-N 253.066 0.817 50 50 CCGA in-vitro C[C@H]1CCCN(C(=O)c2ccc(B(O)O)cc2Cl)C1 169744148 LQHHGVARTVXEQG-VIFPVBQESA-N 281.548 0.892 50 50 CCGA O=C(NCc1ccccc1)c1cccc(B(O)O)c1 169745331 OBCLAQJSSJOSFL-UHFFFAOYSA-N 255.082 0.296 50 50 CCGA in-vitro O=C(Nc1cccc(F)c1)c1cc(B(O)O)ccc1F 169744092 BLZHSKXJYQLSFU-UHFFFAOYSA-N 277.035 0.897 50 50 CCGA CCCCNC(=O)c1ccc(B(O)O)cc1Cl 169744228 JZMZUMQEEJZEMV-UHFFFAOYSA-N 255.510 0.550 50 50 CCGA Cn1cc([C@@H]2C[C@@H](NC(=O)CCl)CCO2)cn1 1875374674 CIDOOLDWUBEIPL-UWVGGRQHSA-N 257.721 0.995 50 50 CCGA C[C@@H]1CN(C(=O)[C@@H](C)Cl)C[C@H]1C(=O)N1CCOCC1 1875380430 OTJHURAZPPZSJL-GMTAPVOTSA-N 288.775 0.567 50 50 CCGA COCC(=O)NNC(=O)Nc1cccc([N+](=O)[O-])c1 2855965 IOFQSGNOSRXIFH-UHFFFAOYSA-N 268.229 0.394 50 50 CCGA COc1cccc([C@H]2C(C#N)=C(N)Oc3nc[nH]c(=O)c32)c1 15107687 YYYPUYMVGCIBAE-NSHDSACASA-N 296.286 0.997 50 50 CCGA CC1CCN(c2nccc(B(O)O)c2Cl)CC1 230525209 BRTCFFVYWUICEJ-UHFFFAOYSA-N 254.526 0.651 50 50 CCGA CN1CCN(CCC(=O)N/N=C/c2ccccc2)CC1 19535915 NQMZHHQLCVKPRG-DTQAZKPQSA-N 274.368 0.774 50 50 CCGA CC(=O)NNc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 170006659 JPHVNYNZWIDEKK-UHFFFAOYSA-N 277.133 0.844 50 50 CCGA C[C@H](Cl)C(=O)N[C@@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 1875378122 VYJVOTHHSOBXLG-IQJOONFLSA-N 295.788 0.466 50 50 CCGA CCOC(=O)C(=O)N/N=C/c1cccc(OC)c1O 3161966 YPSYTXWZDLMKJF-NTUHNPAUSA-N 266.253 0.414 50 50 CCGA CCOC(=O)N/N=C1\C(=O)Nc2ccc([N+](=O)[O-])cc21 6871939 LCBZHZNYSGTUQA-UHFFFAOYSA-N 278.224 0.997 50 50 CCGA Cc1cc(C)n2nc(C(=O)N/N=C/c3ccncc3)nc2n1 131575 JVDCRVUACQDYKF-LZYBPNLTSA-N 295.306 0.900 50 50 CCGA COc1ccc(C(=O)NNC(=O)[C@H]2CCCO2)cc1 290066 HEIUUQGMOQAZJK-LLVKDONJSA-N 264.281 0.635 50 50 CCGA CCCc1cc2c(=O)n(CC(=O)NN)cnc2s1 12411450 LXQXXQVDMKMXIE-UHFFFAOYSA-N 266.326 0.400 50 50 CCGA O=C(NCc1ccccc1)c1ccc(Cl)c(B(O)O)c1 169744428 OQXFKHHYRBOKKY-UHFFFAOYSA-N 289.527 0.950 50 50 CCGA O=Cc1ccc(OCc2ccccc2)c(B(O)O)c1 169794528 HNCABRWZPCRMMA-UHFFFAOYSA-N 256.066 0.758 50 50 CCGA CC(C)COC(=O)N(N)[C@@H]1CCS(=O)(=O)C1 757128017 OXDJFXBGOVBTEG-MRVPVSSYSA-N 250.320 0.142 50 50 CCGA CC(C)N(C(=O)c1ccc(B(O)O)c(F)c1)C(C)C 169744553 WQWHTRBOYASUOC-UHFFFAOYSA-N 267.109 0.765 50 50 CCGA O=C(CCl)NC[C@]1(O)[C@H]2[C@H]3C[C@@H]4[C@H]5[C@@H](C[C@H]42)[C@@H]1[C@@H]53 1875375472 CEJMEIFBVSWQSN-AKXXECPWSA-N 267.756 0.850 50 50 CCGA CC(=O)OC[C@]12[C@H]3[C@@H]4[C@@H]5[C@H]6C(=O)OC(=O)[C@H]6[C@H]3[C@H]1[C@H]5[C@H]42 254487366 GNHPPKXQCPPJMX-UVCRZPCRSA-N 274.272 0.233 50 50 CCGA O=S(=O)(OCc1ccccc1)c1cccc(B(O)O)c1 169744089 UQSAQPVURLUCBP-UHFFFAOYSA-N 292.121 0.272 50 50 CCGA CC(C)(C)OC(=O)NC1(c2ccc(B(O)O)cc2)CC1 169904104 VRDOSXBUZHSBKB-UHFFFAOYSA-N 277.129 0.880 50 50 CCGA C[C@H](Cl)C(=O)N[C@@H]1CCC(=O)N[C@H]1c1ccnn1C 1875380663 VQGMZMYODAJOGE-VAOFZXAKSA-N 284.747 0.483 50 50 CCGA C[C@H](Oc1ccccc1)C(=O)NNC(=O)c1cnccn1 432882 OEALTUIFWQRUKJ-JTQLQIEISA-N 286.291 0.705 50 50 CCGA O=C1OC(=O)[C@H](Br)[C@H]1Br 100180983 UKYNESNNFCHAEV-JCYAYHJZSA-N 257.865 0.597 50 50 CCGA Cc1ccccc1OCC(=O)N[C@H](C(=O)NN)C(C)C 57291784 KYXKKTWCLLYUNM-ZDUSSCGKSA-N 279.340 0.505 50 50 CCGA O=C(CCl)NC[C@@H](O)Cn1ccc2ccccc2c1=O 1875379474 REKJBOQKXHEJGA-LLVKDONJSA-N 294.738 0.717 50 50 CCGA Cc1cc(C2(C(=O)NNC(=O)c3ccccn3)CC2)on1 873722410 ASRXXLRAWJOWJW-UHFFFAOYSA-N 286.291 0.871 50 50 CCGA COc1ccccc1NC(=O)c1ccc(B(O)O)cc1 230543492 BICIYGVMBIEAEG-UHFFFAOYSA-N 271.081 0.627 50 50 CCGA C[Si](C)(C)CCOC(=O)c1ccc(B(O)O)cc1 252483799 FIQFYQQEWOPKPO-UHFFFAOYSA-N 266.178 0.861 50 50 CCGA Nc1nnnn1CC(=O)NN=C/C=C/c1ccccc1 252677935 BIKOTJXHBOGACJ-SSSAHOFISA-N 271.284 0.071 50 50 CCGA O=C[C@H](Br)[C@@H](Br)C(=O)O 5494295 AOCBQUQBXIZZSC-STHAYSLISA-N 259.881 0.797 50 50 CCGA COc1cccc2c1OC[C@H](NC(=O)CCl)C2=O 1875377843 PAAKPNIDPIYYHA-QMMMGPOBSA-N 269.684 0.994 50 50 CCGA Cc1cnc([C@H](C)Oc2cccc(B(O)O)c2C=O)o1 2325826103 OWPJUMKLNQLFBA-VIFPVBQESA-N 275.069 0.615 50 50 CCGA COc1cc(/C=N/NC(=O)CN2CCOCC2)ccc1O 19781916 TVMNIDMEZNCEHV-OQLLNIDSSA-N 293.323 0.183 50 50 CCGA OB(O)c1cc(Br)ccc1Br 169747981 CMLBXUUGERIZOO-UHFFFAOYSA-N 279.724 0.891 50 50 CCGA O=C(O)CCC(CCC(=O)O)=NNC(=O)c1ccncc1 5778213 KVKTWIRECGLOBN-UHFFFAOYSA-N 293.279 0.897 50 50 CCGA COc1ccc(C(=O)NNC(=O)c2cc(C)n[nH]2)cc1 18107540 AMZMAEUTFNYBIR-UHFFFAOYSA-N 274.280 0.802 50 50 CCGA CCCN(CCC)C(=O)c1ccc(B(O)O)c(F)c1 169744557 PEBZDOZAWWKNJV-UHFFFAOYSA-N 267.109 0.768 50 50 CCGA Nc1ccc(S(=O)(=O)NNC(=O)c2ccco2)cc1 71771889 DXOHDTFNKQGDEU-UHFFFAOYSA-N 281.293 0.485 50 50 CCGA CC1=C[C@H]2[C@@H]3C(=O)OC(=O)[C@@H]3[C@H]1[C@@H]1[C@@H]3C(=O)OC(=O)[C@@H]3[C@@H]21 252430798 KLCJBGADIXBIIG-YHLSLDNZSA-N 288.255 0.070 50 50 CCGA O=C(Nc1ccncc1)c1cc(B(O)O)ccc1F 169744285 HDZJBQSVFPHZGB-UHFFFAOYSA-N 260.033 0.153 50 50 CCGA Cc1cc(N2CCN(C(=O)CCl)CC2)nc(C)n1 1875363649 PFONVBXHQZURIY-UHFFFAOYSA-N 268.748 0.981 50 50 CCGA CCOC(=O)c1cnc(-c2cccc(B(O)O)c2)s1 616567982 RKCZVRBYZGRLEY-UHFFFAOYSA-N 277.110 0.667 50 50 CCGA OB(O)c1ccc(I)cc1F 169744819 WLIKCRRAILNHLS-UHFFFAOYSA-N 265.818 0.110 50 50 CCGA CC(C)(C)OC(=O)NCc1cc(B(O)O)cs1 252487986 IGJFBQDBUNTHII-UHFFFAOYSA-N 257.120 0.453 50 50 CCGA CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCl 1875363833 BGNZGAOILFUELW-UHFFFAOYSA-N 288.756 0.723 50 50 CCGA C[C@]1(C(=O)NNC(=O)c2cnn[nH]2)C[C@@H]1c1ccccc1 839658520 PCTHTVLLDFUSII-YGRLFVJLSA-N 285.307 0.760 50 50 CCGA O=C(c1cc(B(O)O)ccc1F)N1CCCCC1 169745431 LWRYZTKUVJDPFY-UHFFFAOYSA-N 251.066 0.132 50 50 CCGA in-vitro C[C@@H]1CCCN(C(=O)c2ccc(Cl)c(B(O)O)c2)C1 169744597 ZVIMXTNBZYRNLO-SECBINFHSA-N 281.548 0.892 50 50 CCGA O=C(Nc1ccccn1)c1ccc(B(O)O)cc1F 169744079 CIQKUPRZPUUGGK-UHFFFAOYSA-N 260.033 0.153 50 50 CCGA COc1ccc(C(=O)NNC(=S)NC(C)=O)cc1 2551972 HYFAZPGIKBVPNV-UHFFFAOYSA-N 267.310 0.351 50 50 CCGA Cc1nn2c(N)c(C(=O)NN)nnc2c1-c1ccccc1 72406684 HMIWXJNEBCLYLX-UHFFFAOYSA-N 283.295 0.285 50 50 CCGA CCOC(=O)[C@H](CCC#N)NC(=O)[C@@H](F)Cl 2325820746 YCCLIGBXYILMIQ-NKWVEPMBSA-N 250.657 0.872 50 50 CCGA O=C(NC1CCCCC1)c1ccc(F)c(B(O)O)c1 169743948 YASQSGZTGZDSLB-UHFFFAOYSA-N 265.093 0.568 50 50 CCGA C[C@H](O)CCC(=O)N/N=C/c1ccc(O)cc1O 3105703 VDXICKXUHSQMGH-MTDSNMTDSA-N 252.270 0.709 50 50 CCGA COc1cccc(NC(=O)c2ccc(F)c(B(O)O)c2)c1 169744026 RFZMPORGCJNRNA-UHFFFAOYSA-N 289.071 0.766 50 50 CCGA CC1=NNC(=O)[C@@H]1CCC(=O)N/N=C/c1ccncc1 100557144 PEGIPEZNCTVNIJ-OXFWXOROSA-N 273.296 0.434 50 50 CCGA COc1ccc(COc2ccc(B(O)O)cc2)cc1 169903758 UCYGEGISTWJFFA-UHFFFAOYSA-N 258.082 0.954 50 50 CCGA in-vitro O=C(O)CCC(=O)NNC(=O)[C@H]1C[C@@H]1c1ccccc1 2913647 STVUMTXFVQYPMH-MNOVXSKESA-N 276.292 0.802 50 50 CCGA C[C@H](Cl)CCS(=O)(=O)N1CC(C(=O)O)C1 1616036092 HDTODQCDPSYSGQ-LURJTMIESA-N 255.723 0.350 50 50 CCGA N#CC1=C(N)Oc2c(nc(O)[nH]c2=O)[C@@H]1c1ccccc1 190072 MDJJXAZZOOLNEZ-SECBINFHSA-N 282.259 0.694 50 50 CCGA COc1cc(/C=N\NC(=O)Nc2nonc2N)ccc1O 32609458 WSNSZUWXQSALIL-ACAGNQJTSA-N 292.255 0.522 50 50 CCGA O=C1CCN(Cc2ccc(B(O)O)cc2Cl)CC1 230550613 OXBZNVAQJCTSRF-UHFFFAOYSA-N 267.521 0.185 50 50 CCGA O=C(NN=Cc1ccccc1O)c1ccc(=O)[nH]n1 252679776 RAPAYNNWKRHDGM-UHFFFAOYSA-N 258.237 0.239 50 50 CCGA OB(O)c1ccc(CN2CCc3ccccc32)cc1 202558824 LSZWCDZNPPOBOX-UHFFFAOYSA-N 253.110 0.929 50 50 CCGA O=C(CCl)N1CCCC[C@@H]1CN1CCOCC1 1875364816 UXTWIZPQZFHARK-LLVKDONJSA-N 260.765 0.939 50 50 CCGA C[C@H]1CN(C(=O)CCNC(=O)CCl)C[C@@H](C)O1 1875389904 LICZNKMVGHUESM-DTORHVGOSA-N 262.737 0.367 50 50 CCGA O=C(NNC(=O)c1ncccn1)NC1[C@@H]2C[C@@H]2[C@H]2C[C@@H]12 1875304411 JPIXPHFZWINYPV-FNCVBFRFSA-N 273.296 0.075 50 50 CCGA NNC(=O)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)c1 273287 WPUKOJZQYSUTRY-UHFFFAOYSA-N 261.241 0.448 50 50 CCGA CCO[C@@]1(C(=O)NNC(=O)c2ccc(C)n2C)CCOC1 585088516 HSRJDSPRBLKLEK-AWEZNQCLSA-N 295.339 0.290 50 50 CCGA O=C(NCc1ccc(B(O)O)cc1)OCc1ccccc1 169746235 IFXKQHGDWGCLKL-UHFFFAOYSA-N 285.108 0.793 50 50 CCGA in-vitro C[C@H](Cl)C(=O)N[C@@H]1CCCN(S(=O)(=O)C2CC2)C1 1875375537 CYEKQSLYABKQTN-DTWKUNHWSA-N 294.804 0.687 50 50 CCGA CC1=C[C@H]2[C@@H]3C(=O)OC(=O)[C@@H]3[C@H]1[C@@H]1[C@@H]3C(=O)OC(=O)[C@H]3[C@H]21 252430797 KLCJBGADIXBIIG-XGWBRSPTSA-N 288.255 0.070 50 50 CCGA CNC(=O)c1ccn([C@@H]2CCCN(C(=O)CCl)C2)n1 1875367682 DMSOOJJWZTUNCV-SECBINFHSA-N 284.747 0.645 50 50 CCGA O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1nc[nH]n1 6557366 STWTXRWKXLITHS-LFYBBSHMSA-N 260.213 0.477 50 50 CCGA CCOC(=O)[C@H](CCC#N)NC(=O)[C@H](F)Cl 2325820745 YCCLIGBXYILMIQ-BQBZGAKWSA-N 250.657 0.872 50 50 CCGA CCNC(=S)NNC(=O)COc1ccccc1C 5795329 RTXFQMOXQIHBOI-UHFFFAOYSA-N 267.354 0.889 50 50 CCGA CCN1CCN(CC(=O)N/N=C/c2ccccc2F)CC1 19594988 WAWRJODMMUJRLV-GZTJUZNOSA-N 292.358 0.913 50 50 CCGA OB(O)c1cc(I)ccc1F 169807045 QZPDCZSOVJLEKB-UHFFFAOYSA-N 265.818 0.110 50 50 CCGA OB(O)c1ccc(N2CCCC2)cc1C(F)(F)F 170001956 XSXLFVHKNVNTMO-UHFFFAOYSA-N 259.036 0.985 50 50 CCGA CCCOc1c(F)c(F)c(B(O)O)c(F)c1F 169806958 IDDYYTHVGIJBNA-UHFFFAOYSA-N 251.972 0.712 50 50 CCGA CC(C)(O)C(=O)NNC(=S)NCc1ccco1 13496779 ODBPDYCKYYCZIS-UHFFFAOYSA-N 257.315 0.046 50 50 CCGA O=C(CCl)NC[C@H](N1CCOCC1)C(F)(F)F 1875377916 RFGXUOXEOHIPOY-ZETCQYMHSA-N 274.670 0.605 50 50 CCGA CC(C)(C)OC(=O)N1CCC[C@H]1c1cncc(B(O)O)c1 206449580 BVPDRVAFUSVAGU-LBPRGKRZSA-N 292.144 0.833 50 50 CCGA O=C(CCl)NNC(=O)[C@@H]1OCC[C@@H]1c1ccccc1 1875375054 PCZWZAKATYDRKT-ZYHUDNBSSA-N 282.727 0.945 50 50 CCGA Cc1cc2cnn([C@@H]3CCCCO3)c2cc1B(O)O 261507247 GUXWKNKXTGTVGQ-ZDUSSCGKSA-N 260.102 0.724 50 50 CCGA CCOc1c(Br)ccc(F)c1B(O)O 169901996 CQJCRITVZWAMKV-UHFFFAOYSA-N 262.871 0.667 50 50 CCGA O=C(CCl)N1CCN(CC2CCOCC2)CC1 1324706597 PMEUOBNEALGXPF-UHFFFAOYSA-N 260.765 0.796 50 50 CCGA O=C(CCl)NC[C@H]1CS(=O)(=O)c2ccccc2O1 1875367821 PSGOQNJEWNPFBX-QMMMGPOBSA-N 289.740 0.576 50 50 CCGA N#CC1=C(N)Oc2c(oc(CO)cc2=O)[C@@H]1c1cccnc1 141885 SDGVJEBYEJGBTE-GFCCVEGCSA-N 297.270 0.745 50 50 CCGA N#CC(C#N)=C(C#N)c1ccc(N(CCO)CCO)cc1 2526527 XIKHTCQHDCGMQI-UHFFFAOYSA-N 282.303 0.802 50 50 CCGA Cc1ccccc1OCC(=O)N[C@@H](C(=O)NN)C(C)C 57291785 KYXKKTWCLLYUNM-CYBMUJFWSA-N 279.340 0.505 50 50 CCGA COCCCNC(=S)NNC(=O)c1ccccn1 13519658 GNBKAWFWYOEGQJ-UHFFFAOYSA-N 268.342 0.227 50 50 CCGA CCn1nccc1CN(CCO)C(=O)[C@@H](C)Cl 1875366423 ISBINJXDJMVNPF-SECBINFHSA-N 259.737 0.851 50 50 CCGA NS(=O)(=O)c1cc(NC(=O)[C@@H](F)Cl)cs1 2325898754 YOBNIBBFVLWORC-RXMQYKEDSA-N 272.710 0.868 50 50 CCGA COC(=O)[C@@H]1COC(C=O)=CN1C(=O)OC(C)(C)C 1857787453 RSEXZDMQSNJPRL-VIFPVBQESA-N 271.269 0.836 50 50 CCGA CN(Cc1ccccc1)Cc1ccccc1B(O)O 196241251 QYNYPLPKQXXLQM-UHFFFAOYSA-N 255.126 0.998 50 50 CCGA C[C@H](Cl)C(=O)NCCS(=O)(=O)Nc1ccccn1 1875364957 ZDWUCTFALGMGOL-QMMMGPOBSA-N 291.760 0.567 50 50 CCGA COc1ccccc1C(=O)NNC(=O)[C@H]1CCCO1 195327 BMTLIYWCGRGMPJ-LLVKDONJSA-N 264.281 0.635 50 50 CCGA C[C@@H](Sc1nnnn1-c1ccccc1)C(=O)NN 350599 NMMQKMXUYYTVIK-SSDOTTSWSA-N 264.314 0.133 50 50 CCGA COCC(=O)NNc1cccc(F)c1C(=O)OC 408516095 NFXZEHNEJGTHSI-UHFFFAOYSA-N 256.233 0.702 50 50 CCGA CN1CCN(CC(=O)N/N=C/[C@H]2CC=CCC2)CC1 19732812 JJOKZXGHVVSHBB-JMRXEAOASA-N 264.373 0.692 50 50 CCGA COc1cccc(/C=N/NC(=O)C(=O)N2CCCC2)c1 2901621 YIEMTDLQFFACCJ-XNTDXEJSSA-N 275.308 0.768 50 50 CCGA COCCCNC(=S)NNC(=O)c1cccnc1 8680966 KFRJERUJPPPMFO-UHFFFAOYSA-N 268.342 0.227 50 50 CCGA O=C(OCc1ccccc1)c1ccc(B(O)O)cc1F 230551090 MINRKGHJIZBWKD-UHFFFAOYSA-N 274.056 0.863 50 50 CCGA CCN(CC)C(=O)C(=O)N/N=C/c1cccc(OC)c1O 2892424 UEGVGMDPUNMWAK-OQLLNIDSSA-N 293.323 0.719 50 50 CCGA OB(O)c1ccc(F)c([C@H](O)c2ccc(F)cc2)c1 169978165 GJXPMKNGWBKISH-CYBMUJFWSA-N 264.036 0.726 50 50 CCGA O=C(CCl)OCN1C(=O)C(=O)c2ccccc21 54201934 GGGHGURZEKGMLW-UHFFFAOYSA-N 253.641 0.955 50 50 CCGA CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)NN 26476363 NMZANECBVWWSFH-ZETCQYMHSA-N 263.363 0.623 50 50 CCGA O=C(Nc1ccc(F)cc1)c1ccc(B(O)O)cc1F 169744175 ZAOAJGVZTZVQOY-UHFFFAOYSA-N 277.035 0.897 50 50 CCGA OB(O)c1ccc(Cl)cc1OC[C@H]1CCCCO1 169934778 QENSDXMOEIJQER-SNVBAGLBSA-N 270.521 0.968 50 50 CCGA COCc1nc2n(n1)C[C@@H](NC(=O)CCl)CC2 1341523449 BNFIYGGJEMNVCI-ZETCQYMHSA-N 258.709 0.094 50 50 CCGA COC(=O)c1cc(F)c(B(O)O)c(Br)c1 169934730 YWSIGAOWJKBNEA-UHFFFAOYSA-N 276.854 0.055 50 50 CCGA CC(=O)NNC(=O)c1c(O)c2ccccc2n(C)c1=O 100551193 BGMABTGUMVMHGG-UHFFFAOYSA-N 275.264 0.025 50 50 CCGA Cc1cccn2cc(C(=O)NNC(=O)C(C)(C)O)cc12 928996632 ZIERLMREVKWBJE-UHFFFAOYSA-N 275.308 0.780 50 50 CCGA O=C(NNC(=O)[C@@H]1CCOC1)c1cnc(C2CC2)o1 879743773 HISQNRGSHHSODL-MRVPVSSYSA-N 265.269 0.350 50 50 CCGA N#Cc1ccc(COc2ccc(B(O)O)cc2)cc1 169922459 HBNORKQBRPHOPG-UHFFFAOYSA-N 253.066 0.817 50 50 CCGA in-vitro CCO[C@]1(C(=O)NNC(=O)c2ccc(C)n2C)CCOC1 585088517 HSRJDSPRBLKLEK-CQSZACIVSA-N 295.339 0.290 50 50 CCGA COCC(=O)NNC(=O)Nc1ccc2c(c1)OCO2 2851073 IMQFGORINPAVDM-UHFFFAOYSA-N 267.241 0.214 50 50 CCGA CSc1ccc(OC(F)(F)F)cc1B(O)O 169807194 RYFVCYILRFDPBU-UHFFFAOYSA-N 252.022 0.987 50 50 CCGA COc1ccc(/C=N/NC(=O)[C@H]2CCCNC2=O)cc1 551477 LCFFVTOARROQPJ-RGZVIEDOSA-N 275.308 0.672 50 50 CCGA CC(C)N1CCN2C(=O)[C@H](NC(=O)[C@H](C)Cl)C[C@H]2C1 1875375762 HSZVYBVWHOOPPV-GARJFASQSA-N 287.791 0.423 50 50 CCGA COCCNC(=S)NNC(=O)c1ccccc1 2237855 GLFQACVYNLUALP-UHFFFAOYSA-N 253.327 0.442 50 50 CCGA O=S(=O)(CBr)N1CC[C@H]2O[C@@H]2CC1 101083740 BMGOVKCMYYAEEQ-RNFRBKRXSA-N 270.148 0.532 50 50 CCGA CC(C)(C)OC(=O)N1CC(CCO)(NC(=O)CCl)C1 1875369867 NCHYADZHQPPNDG-UHFFFAOYSA-N 292.763 0.713 50 50 CCGA Cc1c(B(O)O)cnc2c1ncn2C1CCCCC1 170001978 MYIRGFBBYZEGGR-UHFFFAOYSA-N 259.118 0.925 50 50 CCGA Cc1n[nH]c2c1C1(CCN(C)CC1)C(C#N)=C(N)O2 9324579 GZAIOZHGMHVUKY-UHFFFAOYSA-N 259.313 0.768 50 50 CCGA C=CCNC(=S)NNC(=O)c1ccc(OC)cc1 5513592 CSDMHJODKPTDFY-UHFFFAOYSA-N 265.338 0.990 50 50 CCGA COCC(=O)NNC(=O)Nc1ccc(OC)c(OC)c1 2859152 WOMVRZYTPLVYFR-UHFFFAOYSA-N 283.284 0.503 50 50 CCGA OB(O)c1c(Br)cc(F)c(F)c1F 197953739 GDHBEUYSUQHNDC-UHFFFAOYSA-N 254.798 0.546 50 50 CCGA C[n+]1cn(NC(=O)c2ccc(CCl)cc2)cn1 6234762 BVKHBSQMLBBDDP-UHFFFAOYSA-O 251.697 0.830 50 50 CCGA Cn1cc(C(=O)NNC(=O)N2CCCC[C@@](C)(F)C2)nn1 2325756530 RFWCUDISWBMYJU-GFCCVEGCSA-N 298.322 0.384 50 50 CCGA O=S1(=O)CC[N+]2(CC1)C[C@H]1[C@H](Br)[C@H]1C2 1615611183 VDXBEZWYCSXOAB-BRPSZJMVSA-N 281.195 0.255 50 50 CCGA C[C@@H](CN)C(=O)NNc1nc(-c2ccncc2)no1 285717528 DVAGBMQOROPRCR-ZETCQYMHSA-N 262.273 0.170 50 50 CCGA CC(C)(C)OC(=O)NCc1ccc([N+](=O)[O-])cc1B(O)O 169904819 FAENNTMTCLWTMZ-UHFFFAOYSA-N 296.088 0.299 50 50 CCGA in-vitro O=C(OCc1ccccc1)c1ccc(B(O)O)c(F)c1 169744552 DOERPIDBVIPDOC-UHFFFAOYSA-N 274.056 0.863 50 50 CCGA O=C(CCl)NC[C@@H]1CS(=O)(=O)c2ccccc2O1 1875367820 PSGOQNJEWNPFBX-MRVPVSSYSA-N 289.740 0.576 50 50 CCGA CC1CCN(Cc2ccc(B(O)O)c(F)c2)CC1 230528609 VWXPILOBZLHKBP-UHFFFAOYSA-N 251.110 0.737 50 50 CCGA NNC(=O)c1ccc(Cn2cc([N+](=O)[O-])cn2)o1 375606 VJYGJEPCWMMQMO-UHFFFAOYSA-N 251.202 0.036 50 50 CCGA COC(=O)CCC(=O)NNc1ccc([N+](=O)[O-])cc1 4099240 DPGOKDPHOSUSSH-UHFFFAOYSA-N 267.241 0.991 50 50 CCGA Cc1ccc(=O)n([C@@H](C(=O)NN)c2ccccc2)n1 71771922 GCTCSMMJWBAMJS-GFCCVEGCSA-N 258.281 0.131 50 50 CCGA O=C1c2ccccc2C(=O)c2c1[nH][n+](=O)n2CCCl 334157411 BTRCDAIHWNOHJG-UHFFFAOYSA-O 278.675 0.745 50 50 CCGA COC(=O)c1cc(Cl)cc2cc(B(O)O)cnc12 1772572503 VKHHRNUIPWOSTC-UHFFFAOYSA-N 265.461 0.355 50 50 CCGA OB(O)c1cccc(OC(F)(F)C(F)(F)F)c1 1875389810 KNINXCKHVIRQHX-UHFFFAOYSA-N 255.935 0.900 50 50 CCGA Cc1cc(C)nc(NC(=N)NNC(=O)c2cccnc2)n1 6796790 LDHLYZYSTKDVER-UHFFFAOYSA-N 285.311 0.770 50 50 CCGA O=C(c1ccc(B(O)O)c(Cl)c1)N1CCCCC1 169744617 JWZDVWRFPJMCCV-UHFFFAOYSA-N 267.521 0.646 50 50 CCGA O=C(COc1ccccc1)NNC(=O)c1ccncc1 41350 AQHRUNJREBNZLB-UHFFFAOYSA-N 271.276 0.922 50 50 CCGA CC(=O)Nc1ccc(-c2cn(CC(=O)NN)cn2)cc1 273487 OGCLSCBBCCEUPC-UHFFFAOYSA-N 273.296 0.498 50 50 CCGA CC1=NNC(=O)[C@@H]1CCC(=O)N/N=C/c1ccc(O)cc1 100573350 RGLROIRINYMGBK-AZZDOICSSA-N 288.307 0.744 50 50 CCGA COc1ccc(-c2ncn(CC(=O)NN)c2[N+](=O)[O-])cc1 234975 AIPCLHVERNHMMN-UHFFFAOYSA-N 291.267 0.457 50 50 CCGA CCNC(=S)NNC(=O)c1ccc(OC)c(OC)c1 5312137 QSIXENIHCHTKNV-UHFFFAOYSA-N 283.353 0.833 50 50 CCGA O=C(CN1CCOCC1)N/N=C/c1c[nH]c2ccccc12 19927669 YWLHFYOORQWYDB-LICLKQGHSA-N 286.335 0.950 50 50 CCGA CN(C(=O)c1cc(B(O)O)ccc1F)C1CCCCC1 169744274 IDOKKEUGNVMDGV-UHFFFAOYSA-N 279.120 0.910 50 50 CCGA CC(C)N1CCN2C(=O)[C@@H](NC(=O)CCl)C[C@@H]2C1 1875374927 JXROWBJGGPGQCV-ZJUUUORDSA-N 273.764 0.035 50 50 CCGA N#C/C(=C\c1ccc(/C=C(\C#N)C(N)=O)cc1)C(N)=O 436146 MYGNBPLKWYTSCS-YDWXAUTNSA-N 266.260 0.471 50 50 CCGA N#C/C(=C\c1ccccc1)C(=O)N[C@@H]1CCC(=O)NC1=O 1857798252 XVMNZKSXKSVGGX-JATZPVMKSA-N 283.287 0.515 50 50 CCGA O=C(Nc1cccnc1)c1cc(B(O)O)ccc1F 169744193 NIKHGDMGVRPPKK-UHFFFAOYSA-N 260.033 0.153 50 50 CCGA C[C@@H]1CC[C@H](C(=O)NNC(=O)c2ccsn2)O1 862893167 NCHWTSODUMKUOB-HTRCEHHLSA-N 255.299 0.472 50 50 CCGA O=C1OC(=O)[C@@H](Br)[C@H]1Br 100180975 UKYNESNNFCHAEV-XIXRPRMCSA-N 257.865 0.597 50 50 CCGA O=C(NCc1ccccc1)c1ccc(B(O)O)cc1 169745340 AAUCAVUVHBOOPF-UHFFFAOYSA-N 255.082 0.296 50 50 CCGA in-vitro C[C@H]1[C@@H](/C=C(/C#N)C(N)=S)C(=O)[C@H](C)CN1C 16677474 DDJDOUUUOIGZKM-GXVBGQGMSA-N 251.355 0.878 50 50 CCGA OB(O)c1ccccc1OCCOCc1ccccc1 169951689 ARGYSVUFLXIPBW-UHFFFAOYSA-N 272.109 0.962 50 50 CCGA CC(C)(C)n1cnc2cc(B(O)O)c(F)c(F)c21 170002139 HBAWQWLLRGARIT-UHFFFAOYSA-N 254.045 0.749 50 50 CCGA C[C@H](Cl)C(=O)NCC1(CS(C)(=O)=O)CCOCC1 1875377518 GHCAPAZGYARVFT-VIFPVBQESA-N 297.804 0.571 50 50 CCGA CCO[C@H](C)C(=O)NNc1c(C#N)c(C)nn1C 1875344348 CSHMYFZJNXSQPV-MRVPVSSYSA-N 251.290 0.468 50 50 CCGA O=C(NNC(=O)[C@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)O)c1ccco1 136209559 AEMZZVXFXNECQK-MPKXCIJOSA-N 292.291 0.788 50 50 CCGA COc1cc(B(O)O)c(OC)cc1Br 169747398 VFSKPPVNGHKIFE-UHFFFAOYSA-N 260.880 0.146 50 50 CCGA in-vitro O=C(NCCCl)c1nc[nH]c1C(=O)NCCCl 1582939707 VYADQBGPEOZCOH-UHFFFAOYSA-N 279.127 0.347 50 50 CCGA CCC1(N2CCN(C(=O)[C@@H](C)Cl)CC2)COC1 1875370395 NKUHKDSDBZGNGC-SNVBAGLBSA-N 260.765 0.937 50 50 CCGA C[C@@H]([C@@H](C)N(C)C(=O)[C@H](F)Cl)S(C)(=O)=O 2325820712 OMCWUMGXCJNSGM-VQVTYTSYSA-N 259.730 0.801 50 50 CCGA CCOc1cccc(C(=O)NNC(=S)NC)c1 1440101 KBSVWUWCVQYTKJ-UHFFFAOYSA-N 253.327 0.824 50 50 CCGA CC[C@H]1C(=O)NN=C1C(=O)N/N=C/c1ccccc1 102297229 WEYCTIRIDNDWKH-WWNSAXIVSA-N 258.281 0.649 50 50 CCGA COC(=O)C[C@@H](Br)C(=O)C(=O)OC 69476422 MILNARYFLZZSHA-SCSAIBSYSA-N 253.048 0.055 50 50 CCGA in-vitro C[C@H]1CCCN(C(=O)c2cc(F)cc(B(O)O)c2)C1 169744050 FOANTVUZCCHRID-VIFPVBQESA-N 265.093 0.378 50 50 CCGA O=C(CCl)N1CCC(C(=O)N2CCOCC2)CC1 390821988 XHBNCSHYYODDAH-UHFFFAOYSA-N 274.748 0.323 50 50 CCGA COc1cc(F)ccc1NNC(=O)[C@@H]1COCCO1 239653755 BLEQJKXELDKAFZ-NSHDSACASA-N 270.260 0.693 50 50 CCGA C[C@@H](Cl)C(=O)N1CCC2(CC1)NC(=O)[C@@H](C)O2 1875376484 YLHMCINQIXQUKO-HTQZYQBOSA-N 260.721 0.467 50 50 CCGA O=C(Nc1ccc(F)cc1)c1ccc(B(O)O)cc1 169745478 HIHZUEQBMMAFSA-UHFFFAOYSA-N 259.045 0.758 50 50 CCGA in-vitro COc1ccc(COc2ccc(B(O)O)cn2)cc1 169904052 WKTHOUOOJXPRDN-UHFFFAOYSA-N 259.070 0.349 50 50 CCGA in-vitro COc1cc(/C=N/NC(=O)c2cnccn2)ccc1O 228540 NUBCWGBHAYLKBS-FRKPEAEDSA-N 272.264 0.955 50 50 CCGA O=S(=O)(Nc1cccc(F)c1)c1cccc(B(O)O)c1 169744337 SFLKIWAVAZHFPE-UHFFFAOYSA-N 295.100 0.306 50 50 CCGA O=C(CCl)NCC(=O)c1cccc2c1OCCO2 1875378048 UUVAFSFPFGSKTM-UHFFFAOYSA-N 269.684 0.996 50 50 CCGA COc1cc(OCc2ccccc2)ccc1B(O)O 169978216 OCRDUFMMMZJZQV-UHFFFAOYSA-N 258.082 0.954 50 50 CCGA O=C1NC[C@@H](c2ccccc2)[C@@H]1C(=O)N/N=C/c1ccc[nH]1 5028899 XIPYAHWWRRQGJF-AMFDNYHJSA-N 296.330 0.995 50 50 CCGA Cc1cccc(OCC(=O)NNC(=O)c2cc(C)n[nH]2)c1 5818509 YFQHHDFWFCPYTG-UHFFFAOYSA-N 288.307 0.867 50 50 CCGA CN1CCN(CCC(=O)N/N=C/c2ccc(O)cc2)CC1 19367226 JAXUBBPASOFFDY-FOWTUZBSSA-N 290.367 0.480 50 50 CCGA NNC(=O)c1ccc(Oc2ccc(C(=O)NN)cc2)cc1 282098 GMVKIRUIWVGPQC-UHFFFAOYSA-N 286.291 0.686 50 50 CCGA in-vitro NNC(=O)c1ccc(Cn2ccc([N+](=O)[O-])n2)cc1 374043 GESZQNLGDUQQRM-UHFFFAOYSA-N 261.241 0.443 50 50 CCGA O=C(O)CCC(=O)NNC(=O)c1cccc(Cl)c1 4713547 RGFDDIJJWGREMW-UHFFFAOYSA-N 270.672 0.966 50 50 CCGA C[C@H](Cl)C(=O)NC[C@@H]1CCC[C@@]12NC(=O)NC2=O 1875363955 FSBDQMBWKNYYDY-OKTBNZSVSA-N 273.720 0.108 50 50 CCGA O=C(CSS(=O)(=O)O)NCc1ccccc1 1957912 BZYGYIBCRKPITA-UHFFFAOYSA-N 261.324 0.839 50 50 CCGA CC(C)CNC(=O)c1ccc(B(O)O)cc1Cl 169744135 FQGJLHOYSUCWJU-UHFFFAOYSA-N 255.510 0.406 50 50 CCGA C[C@H](Cl)C(=O)NC[C@H]1CC[C@H](C(=O)N(C)C)O1 1875378299 ZATJCXFHOCRZSZ-DJLDLDEBSA-N 262.737 0.366 50 50 CCGA O=S(=O)(CBr)N1CCC[C@H]2O[C@@H]2C1 101083725 VDJMPLQONJOUDS-RNFRBKRXSA-N 270.148 0.532 50 50 CCGA COc1ccc(/C=N/NC(=O)c2n[nH]c(N)n2)cc1 5173971 RPYHUURWLOIKBK-AWNIVKPZSA-N 260.257 0.159 50 50 CCGA O=C(Nc1ccc(Cl)cn1)c1ccc(B(O)O)cc1 1775954705 WXXVRFJTNFNSIF-UHFFFAOYSA-N 276.488 0.667 50 50 CCGA O=C([C@H](F)Cl)N1CCN(c2ccc3nncn3n2)CC1 2325898575 MCYWYPHWMMFSJX-JTQLQIEISA-N 298.709 0.307 50 50 CCGA O=C(NCc1ccco1)C(=O)N/N=C1/C[C@H]2C=CC[C@@H]12 137420727 HUMHQSRFGIXLDJ-YPVKEYBPSA-N 273.292 0.964 50 50 CCGA CCOc1ccc(C=NNC(=O)c2nnc[nH]2)cc1O 16512081 GMQACBZLLJOGPK-UHFFFAOYSA-N 275.268 0.673 50 50 CCGA CC(=O)N1CCC2(CC1)C(C#N)=C(N)SC(N)=C2C#N 19852963 ITUNWANWHZDRQK-UHFFFAOYSA-N 289.364 0.750 50 50 CCGA C=CCNC(=S)NNC(=O)Cc1cccs1 2855964 LGJMBSNTXKUURY-UHFFFAOYSA-N 255.368 0.972 50 50 CCGA Cc1cc(=O)n(C)c(=O)n1C[C@H](C)Br 337133 YCIBFTWNCRIOGO-LURJTMIESA-N 261.119 0.639 50 50 CCGA COc1ccccc1C(=O)NNC(=O)CCC(=O)O 3156417 PYRNWJNSMWWFLH-UHFFFAOYSA-N 266.253 0.321 50 50 CCGA N#CC(NC(=O)c1ccc(Cl)cc1)=C1NCCN1 2050024990 MHGIAJSNIHOKIY-UHFFFAOYSA-N 262.700 0.955 50 50 CCGA N#CC1=C(N)Oc2nc(=O)[nH]c(O)c2[C@@H]1c1ccccc1 48872 AWRKKZHOOOURIQ-SECBINFHSA-N 282.259 0.694 50 50 CCGA biogenic,in-vitro OB(O)c1ccc(CN2CCSCC2)c(F)c1 199003388 RVUUKKSHFHMIJV-UHFFFAOYSA-N 255.123 0.054 50 50 CCGA CCS(=O)(=O)N1CCC[C@H]1CNC(=O)CCl 1875374380 MWCXIGFRNYHLLW-QMMMGPOBSA-N 268.766 0.156 50 50 CCGA O=C(NCc1ccccc1Cl)c1cccc(B(O)O)c1 1440521174 QSDMMYAOINICBD-UHFFFAOYSA-N 289.527 0.950 50 50 CCGA Cc1ccccc1NS(=O)(=O)c1cccc(B(O)O)c1 169744149 UBCMWUGADBYWIT-UHFFFAOYSA-N 291.137 0.476 50 50 CCGA COc1cccc(B(O)O)c1NC(=O)OC(C)(C)C 203680752 XXGDNBUDPANMAB-UHFFFAOYSA-N 267.090 0.722 50 50 CCGA COC(=O)C1=C[C@H]2[C@@H]1[C@@H]1C=C[C@H]2[C@H]2C(=O)OC(=O)[C@@H]12 254708021 RLOCDRQSSNUEDF-IDMOWQKHSA-N 260.245 0.463 50 50 CCGA CCOC(=O)C[C@H](O)CI 2567773 SMWBHOKQXGBYJN-YFKPBYRVSA-N 258.055 0.736 50 50 CCGA COCCOc1cc(B(O)O)c(Cl)cc1Cl 169934421 RNOGFSLJRIPEMF-UHFFFAOYSA-N 264.901 0.698 50 50 CCGA in-vitro Cc1n[nH]c(SCC(=O)NNC(=O)c2cccs2)n1 6765396 OILASUKJYQKBSU-UHFFFAOYSA-N 297.365 0.728 50 50 CCGA NNC(=O)c1nnsc1NC(=O)Nc1ccccc1 4476274 MZPSAPPTCCVAAJ-UHFFFAOYSA-N 278.297 0.786 50 50 CCGA COc1cc(Br)c(B(O)O)c(F)c1F 230547559 HFLXLYNLAGWBMW-UHFFFAOYSA-N 266.834 0.416 50 50 CCGA Cn1cc([C@]2(CNC(=O)CCl)CCCO2)cn1 1333891612 MBTZEKCTWMPOBG-LLVKDONJSA-N 257.721 0.781 50 50 CCGA OB(O)c1c(F)ccc(Br)c1Cl 169807035 VIFZAVAVSAFOMF-UHFFFAOYSA-N 253.263 0.921 50 50 CCGA in-vitro COc1ccccc1/C=N/NC(=O)C(=O)N1CCCC1 2055508 OTIOJRAVBXPSBS-XNTDXEJSSA-N 275.308 0.768 50 50 CCGA O=C(O)CCC(=O)NNC(=O)[C@@H]1C[C@@H]1c1ccccc1 2913644 STVUMTXFVQYPMH-GHMZBOCLSA-N 276.292 0.802 50 50 CCGA Cc1nc2c(n1CCO)CC[C@@H](NC(=O)CCl)C2 1875375180 UCHVFKFLSZNBKJ-SECBINFHSA-N 271.748 0.396 50 50 CCGA C[C@@H](Cl)C(=O)N1CC(C2CS(=O)(=O)C2)C1 1875379961 AMLMKVNPKIAITP-ZCFIWIBFSA-N 251.735 0.117 50 50 CCGA O=S(=O)(CBr)N1CC[C@@H]2O[C@H]2CC1 101083742 BMGOVKCMYYAEEQ-BQBZGAKWSA-N 270.148 0.532 50 50 CCGA Cn1cc([C@@]2(CNC(=O)CCl)CCCO2)cn1 1333891613 MBTZEKCTWMPOBG-NSHDSACASA-N 257.721 0.781 50 50 CCGA O=C(Nc1ccccc1)c1cc(F)cc(B(O)O)c1 169744183 CFLAFRJATGAGGA-UHFFFAOYSA-N 259.045 0.758 50 50 CCGA COc1cc(/C=N/NC(=O)[C@H]2CCCNC2)ccc1O 263619742 QDPDGLOKSGWZKI-AXLKIAQESA-N 277.324 0.851 50 50 CCGA CC(C)(C)OC(=O)NCCc1ccc(B(O)O)cc1 203587399 KNYILTVMRTVCDV-UHFFFAOYSA-N 265.118 0.434 50 50 CCGA O=C(NNC(=O)[C@@H]1CCOC1)c1coc(C2CCC2)n1 766958316 CSGLWYLIMKTOLQ-SECBINFHSA-N 279.296 0.740 50 50 CCGA CS(=O)(=O)NNC(=O)[C@@H]1C[C@@H]1c1ccccc1 256243 ANXOSWKWMWSEHD-NXEZZACHSA-N 254.311 0.371 50 50 CCGA Cn1nncc1C(=O)NNC(=O)Cc1c[nH]c2ccccc12 225602904 WFBPFPYHUAOWOU-UHFFFAOYSA-N 298.306 0.300 50 50 CCGA CC1=NNC(=O)[C@H]1CCC(=O)N/N=C/c1cccnc1 100557121 YSJRXSUAVHBJLG-UXYFDLPDSA-N 273.296 0.434 50 50 CCGA CC1(C)[C@H](N2CCOCC2)[C@H](Cl)S1(=O)=O 22015775 YTMSFFQTDDPVCH-HTQZYQBOSA-N 253.751 0.459 50 50 CCGA OB(O)c1ccc(OCCCBr)cc1 169746547 BKESUWDVKSJULT-UHFFFAOYSA-N 258.908 0.530 50 50 CCGA in-vitro COc1ccc(NC(=O)c2cccc(B(O)O)c2F)cc1 169744655 QMUDVTIZOKNRHD-UHFFFAOYSA-N 289.071 0.766 50 50 CCGA CCOC(=O)[C@H](N)CSSC[C@@H](N)C(=O)OCC 1604828 CIKFAVCRANPUES-HTQZYQBOSA-N 296.414 0.149 50 50 CCGA CC1=NNC(=O)[C@@H]1CC(=O)N/N=C/c1ccc(C)cc1 100609609 UCHHWMWUWDEBDK-AZZDOICSSA-N 272.308 0.957 50 50 CCGA NC(=O)N/N=C\c1cc(O)c(O)c(Br)c1 32593012 ROTOVNHRROIDER-JYOAFUTRSA-N 274.074 0.863 50 50 CCGA N#Cc1ccc(OCc2ccccc2)cc1B(O)O 217045498 NOBVSCWOKUIFHR-UHFFFAOYSA-N 253.066 0.817 50 50 CCGA CN(CC(=O)NC1CCC(O)CC1)C(=O)CCl 1875379636 SKXJCWKIJNTHMY-UHFFFAOYSA-N 262.737 0.103 50 50 CCGA Cc1ccc(S(=O)(=O)NNC(=O)c2csnn2)cc1 383937 XGWDGLILYWGPKX-UHFFFAOYSA-N 298.349 0.470 50 50 CCGA COC(=O)N(C)NC(=O)[C@@H]1CC[C@H]2CCCCN12 908115875 XNQJTKWBOLJZRF-ZJUUUORDSA-N 255.318 0.733 50 50 CCGA O=C(NC1CC1)[C@@H]1C[C@@H]2OCC[C@@H]2N1C(=O)CCl 1875374607 ADSVGCITDFDQKD-GUBZILKMSA-N 272.732 0.262 50 50 CCGA COc1cccc(NC(=O)c2cccc(B(O)O)c2)c1 230543548 WDLAMKPWOUMLHK-UHFFFAOYSA-N 271.081 0.627 50 50 CCGA O=C(NC1CCCCC1)c1cc(B(O)O)ccc1F 169745521 BQJKBHZFHLACBP-UHFFFAOYSA-N 265.093 0.568 50 50 CCGA in-vitro N#CC1=C(N)Oc2c(nc(O)[nH]c2=O)[C@H]1c1ccccc1 190075 MDJJXAZZOOLNEZ-VIFPVBQESA-N 282.259 0.694 50 50 CCGA COc1ccc(COc2cccc(B(O)O)c2)cc1 169903708 BBNOCVPPEAVHKK-UHFFFAOYSA-N 258.082 0.954 50 50 CCGA in-vitro O=C(CCl)NNC(=O)c1ccccc1N1CCOCC1 952995267 GVEIPZPSEGQPDI-UHFFFAOYSA-N 297.742 0.523 50 50 CCGA C[C@H](Cl)C(=O)Nc1ccc(S(N)(=O)=O)cc1 3337399 CSFIQGHVRLMMHX-LURJTMIESA-N 262.718 0.900 50 50 CCGA COC(=O)N(C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1 253431216 UKGHFOFJAHEDJP-UHFFFAOYSA-N 289.269 0.486 50 50 CCGA OB(O)c1ccc(F)c([C@H](O)c2cccc(F)c2)c1 169978171 AYQBUNWWASKYER-CYBMUJFWSA-N 264.036 0.726 50 50 CCGA O=C(O)/C=C/C(=O)NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 4577232 OSXNABYHYIAJRI-ONEGZZNKSA-N 296.195 0.587 50 50 CCGA C[C@@H](Cl)C(=O)NC[C@@H](N1CCOCC1)C(F)(F)F 1875377975 SKZOJCLJUVOQQJ-HTQZYQBOSA-N 288.697 0.993 50 50 CCGA CNC(=O)N1CCCC[C@@H]1CCNC(=O)CCl 1875374209 FRYCMUASDHMRDJ-SECBINFHSA-N 261.753 0.925 50 50 CCGA CCCOC(=O)c1ccc(OCC(=O)NN)cc1 7262471 LOEFKEWWKKUCQY-UHFFFAOYSA-N 252.270 0.622 50 50 CCGA O=C(Nc1ccccc1F)c1cc(B(O)O)ccc1F 169744271 UODKOFFESOCMSB-UHFFFAOYSA-N 277.035 0.897 50 50 CCGA C[C@H]1CCCCN1C(=O)c1ccc(B(O)O)cc1F 169744342 IJHOTKMDDHTUHC-VIFPVBQESA-N 265.093 0.520 50 50 CCGA C[C@@H](Cl)C(=O)N1CCOC[C@@H](n2cccn2)C1 1875375590 FJKJYKYLJQPTFK-ZJUUUORDSA-N 257.721 0.910 50 50 CCGA Cc1ccc2c(c1)C(=O)N([C@@H]1CCC(=O)OC1=O)C2=O 101365231 GCFZEUVSZSYBIA-SNVBAGLBSA-N 273.244 0.823 50 50 CCGA O=C(Nc1cccc(F)c1)c1ccc(B(O)O)cc1 169745699 CVYDMRNYGKMSDI-UHFFFAOYSA-N 259.045 0.758 50 50 CCGA in-vitro CSc1ncc(Br)c(C(=O)NN)n1 95099992 NOTBQMBSYFGZJQ-UHFFFAOYSA-N 263.120 0.565 50 50 CCGA O=C(N/N=C/c1ccc2c(c1)OCO2)C(=O)N1CCCC1 2055510 LRGFTIDKLNVRRQ-OVCLIPMQSA-N 289.291 0.488 50 50 CCGA O=C(N[C@@H]1CC(=O)N(CC(F)(F)F)C1)[C@@H](F)Cl 2325898593 NCWMLPUAYNKUOY-INEUFUBQSA-N 276.617 0.800 50 50 CCGA C=CCNC(=O)CC(=O)N/N=C/c1ccccc1F 2900427 ZTDZZLGMWJSUTL-CXUHLZMHSA-N 263.272 0.968 50 50 CCGA CCOC(=O)C(=O)N/N=C1\C(=O)Nc2ccccc21 100331131 UQYNYROHQBKWEY-UHFFFAOYSA-N 261.237 0.022 50 50 CCGA Cc1nn(-c2ncccc2Cl)c(C)c1B(O)O 170001938 VCLAFYLWXUYNON-UHFFFAOYSA-N 251.482 0.217 50 50 CCGA CN(Cc1ccccc1)C(=O)c1ccc(F)c(B(O)O)c1 169744250 QNYCKSLCVMXDGU-UHFFFAOYSA-N 287.099 0.778 50 50 CCGA Cc1cc(C)n(-c2cc(Cl)ccc2B(O)O)n1 169946267 RHBQEOVZNHLSCQ-UHFFFAOYSA-N 250.494 0.822 50 50 CCGA CCOC(=O)[C@@H](N)CSSC[C@H](N)C(=O)OCC 95087831 CIKFAVCRANPUES-YUMQZZPRSA-N 296.414 0.149 50 50 CCGA in-vitro Cc1ccc(Cn2cc([N+](=O)[O-])c(C(=O)NN)n2)cc1 370416 UTTLGFQWNAIQDM-UHFFFAOYSA-N 275.268 0.752 50 50 CCGA Cc1nc([C@H]2COCCN2C(=O)[C@@H](C)Cl)no1 1875380304 LGLNYYNRHDYUHP-HTRCEHHLSA-N 259.693 0.905 50 50 CCGA O=C(NCCN1C(=O)CSC1=O)[C@H](F)Cl 2325901432 FUVCTWXREMZUIH-YFKPBYRVSA-N 254.670 0.332 50 50 CCGA O=C(NC1CCCC1)c1ccc(B(O)O)cc1F 169746391 SWBPFXPFINCJIN-UHFFFAOYSA-N 251.066 0.178 50 50 CCGA in-vitro CC1CCN(Cc2ccc(F)cc2B(O)O)CC1 199007715 KYYVZBSXGRWUMV-UHFFFAOYSA-N 251.110 0.737 50 50 CCGA CC1CCN(CCCOc2cccc(B(O)O)c2)CC1 230525614 NHAKGQUNOCWOLM-UHFFFAOYSA-N 277.173 0.867 50 50 CCGA C[C@@H]1CCCN(C(=O)c2ccc(B(O)O)c(Cl)c2)C1 169744508 DRKOVGPCOZDBOZ-SECBINFHSA-N 281.548 0.892 50 50 CCGA O=C(Cc1ccsc1)NNC(=O)c1cocn1 115083495 OBPSVWPPDDCABG-UHFFFAOYSA-N 251.267 0.740 50 50 CCGA C[C@H](Cl)C(=O)N1C[C@H](c2cnn(C)c2)[C@@H](C(N)=O)C1 1875376004 LPKYISXOQBFYTO-SFGNSQDASA-N 284.747 0.075 50 50 CCGA CCOc1ccc(/C=N/NC(=O)CC2=NNC(=O)C2)cc1 102302431 FYMXZAGBOUGQEP-OQLLNIDSSA-N 288.307 0.801 50 50 CCGA O=S(=O)(NCC1CCCCC1)c1cccc(B(O)O)c1 169747184 JDTPYMILBXMOQE-UHFFFAOYSA-N 297.185 0.225 50 50 CCGA O=C(NCc1cccc(F)c1)c1cc(F)cc(B(O)O)c1 169744301 LIERKHWHNZHBCP-UHFFFAOYSA-N 291.062 0.575 50 50 CCGA CCn1nccc1CN(CCO)C(=O)[C@H](C)Cl 1875366424 ISBINJXDJMVNPF-VIFPVBQESA-N 259.737 0.851 50 50 CCGA Cc1nc2c(c(=O)[nH]1)[C@@H](c1cccnc1)C(C#N)=C(N)O2 9668056 DZIFLZPDSYKXJS-JTQLQIEISA-N 281.275 0.692 50 50 CCGA O=S1(=O)CC[C@H](CI)N1 1535543425 MIVLOWPDXOCYNF-SCSAIBSYSA-N 261.084 0.113 50 50 CCGA C[C@H](NC(=O)[C@H](F)Cl)c1nnc2n1CCOC2 2325901522 JPHFSYNOPVKFRF-FSPLSTOPSA-N 262.672 0.520 50 50 CCGA O=Cc1c(OCc2nc(Cl)cs2)cccc1B(O)O 2325826223 USGBEJFWNVNNAT-UHFFFAOYSA-N 297.528 0.868 50 50 CCGA CC1=NNC(=O)[C@H]1CC(=O)N/N=C/c1ccc(O)cc1 100567832 LXHQHAUAZUQPKV-NGPAHMQLSA-N 274.280 0.354 50 50 CCGA Cc1ccc(CNC(=O)c2cc(B(O)O)ccc2F)cc1 169744191 QURBZBLCMGKACL-UHFFFAOYSA-N 287.099 0.744 50 50 CCGA CC(=O)N([C@H]1C[C@H](C)C(C#N)(C#N)C1(C#N)C#N)N(C)C 269265 OUPUBHDCUACHAN-JQWIXIFHSA-N 284.323 0.787 50 50 CCGA O=C(O)[C@@H](Br)[C@H](Br)C(=O)O 1577078 FJWGRXKOBIVTFA-LWMBPPNESA-N 275.880 0.683 50 50 CCGA in-vitro C[C@H](Cl)C(=O)NCC1(OCCO)CCOCC1 1875366338 BSWKAEJRCLLVKQ-VIFPVBQESA-N 265.737 0.288 50 50 CCGA CN(Cc1ccccc1)C(=O)c1cccc(B(O)O)c1 169745634 SZEATPHXIPBXGU-UHFFFAOYSA-N 269.109 0.639 50 50 CCGA in-vitro CC(=O)N1CC(C(=O)NNC(=O)c2cccc(Cl)c2)C1 170606392 NLNGRIPMSMSLCL-UHFFFAOYSA-N 295.726 0.579 50 50 CCGA O=C(O)/C=C/C(=O)NNc1ccccc1[N+](=O)[O-] 4117842 BCOCMCXMSMVIPD-AATRIKPKSA-N 251.198 0.679 50 50 CCGA O=C(CCl)NCC(=O)N1CCc2ccccc2C1 259032012 TYJIPITXDWMOGC-UHFFFAOYSA-N 266.728 0.926 50 50 CCGA N#CSCCCNC(=O)[C@@H]1CCCCC(=O)N1 408523196 PQPKSBRTYDCQGW-VIFPVBQESA-N 255.343 0.766 50 50 CCGA O=C(CCl)NCCn1cnc2sccc2c1=O 1875369973 UCUHVICPLPHHHT-UHFFFAOYSA-N 271.729 0.813 50 50 CCGA O=S1(=O)[C@H](Cl)[C@H](N2CCOCC2)C12CC=CC2 45069178 ZSLGQGQNQNCNBD-UWVGGRQHSA-N 277.773 0.769 50 50 CCGA NC(=O)N/N=C1\C(=O)Nc2ccc(Br)cc21 5731243 VQMOBTZDYNPOSQ-UHFFFAOYSA-N 283.085 0.774 50 50 CCGA O=C(CCl)N1CCCN(c2cccnn2)CC1 1875364798 UNORYRYCJAXJAA-UHFFFAOYSA-N 254.721 0.754 50 50 CCGA CCS(=O)(=O)N1CCN(C(=O)[C@@H](C)Cl)[C@H](C)C1 1875376241 PQJZQWOMHUKKJH-RKDXNWHRSA-N 282.793 0.496 50 50 CCGA Cc1cc(C(F)(F)F)n(-c2cccc(B(O)O)n2)n1 170002262 DBONILPQCMYXNI-UHFFFAOYSA-N 271.007 0.274 50 50 CCGA CC(C)(CCl)c1nc(-c2ccc(B(O)O)cc2)no1 170002179 JWEXPBQWBZHGFJ-UHFFFAOYSA-N 280.520 0.933 50 50 CCGA c1cn(CC[Si]23OCCN(CCO2)CCO3)cn1 198039101 CKGLJCRQTKZZIE-UHFFFAOYSA-N 269.377 0.201 50 50 CCGA COC(=O)[C@H]1[C@H]2C(=O)O[C@@H]3[C@@H](Br)[C@@H]1C[C@@H]32 245254777 BXVYBBSXCGDGSK-LHUYJCHPSA-N 275.098 0.730 50 50 CCGA Cn1cc(C(=O)NNC(=O)N2C[C@H]3CCCC[C@H]3C2)nn1 852419649 UYZUWRPPKZUSQS-AOOOYVTPSA-N 292.343 0.292 50 50 CCGA CCN1CCN(CC(=O)N/N=C/c2cccc(F)c2)CC1 19594967 MNEIRWKRMKZPBL-GZTJUZNOSA-N 292.358 0.913 50 50 CCGA O=S(=O)(CBr)N1CCC[C@H]2O[C@H]2C1 43199289 VDJMPLQONJOUDS-RQJHMYQMSA-N 270.148 0.532 50 50 CCGA NC(=S)NNC(=O)COc1ccc(Cl)cc1 299319 RCAGPMRNWNRSOH-UHFFFAOYSA-N 259.718 0.583 50 50 CCGA C[C@@H](Cl)C(=O)N1CCN(C[C@H]2CCOC2)CC1 1875364794 UKUAEYPUILAOCU-GHMZBOCLSA-N 260.765 0.794 50 50 CCGA CO[C@@H]1COC[C@H]1n1cc(CNC(=O)[C@H](C)Cl)nn1 1875375342 ADXJXVUIEYMXBG-FXBDTBDDSA-N 288.735 0.108 50 50 CCGA O=C(O)c1cnc(NS(=O)(=O)CCl)s1 725256623 YGXHCNOTGBXAPG-UHFFFAOYSA-N 256.692 0.779 50 50 CCGA CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)CCl)[C@H](O)C1 115588443 UBGMINDIOJNYHW-RKDXNWHRSA-N 292.763 0.712 50 50 CCGA O=C(O)CCOCCOCCNC(=O)CBr 83254015 PIANHFIJCGRNCU-UHFFFAOYSA-N 298.133 0.005 50 50 CCGA in-vitro COC(=O)CCC(=O)NNC(=O)[C@@H]1C[C@@H]1c1ccccc1 2937692 ATBVPXOGJYTRBA-VXGBXAGGSA-N 290.319 0.891 50 50 CCGA CCN(CC)CCOc1ccc(B(O)O)cc1Cl 230548426 TZLFXJGIPIUSGL-UHFFFAOYSA-N 271.553 0.740 50 50 CCGA CC(C)NC(=O)C(=O)N/N=C1\CCc2c(O)cccc21 222049740 JDDVCEWMPMZCLP-LFIBNONCSA-N 275.308 0.683 50 50 CCGA COC(=O)NNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 2859839 WBQKJHMKCZEHID-UHFFFAOYSA-N 284.184 0.504 50 50 CCGA CC(C)(C)OC(=O)n1c(B(O)O)cc2cc(C#N)ccc21 169743861 AJWYBPNMPKTRDV-UHFFFAOYSA-N 286.096 0.976 50 50 CCGA in-vitro C=C[Si](OCCOC)(OCCOC)OCCOC 169744764 WOXXJEVNDJOOLV-UHFFFAOYSA-N 280.393 0.640 50 50 CCGA in-vitro CN1c2ccccc2[C@H](NC(=O)CCl)CS1(=O)=O 1875374681 CMGXURZZKKLOLH-SECBINFHSA-N 288.756 0.862 50 50 CCGA C[C@@H](Cl)C(=O)NCCc1nnnn1-c1ccccc1 1875375791 IJUOUQAVTRSUGE-SECBINFHSA-N 279.731 0.948 50 50 CCGA COC(=O)CCC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 2937684 JWENPEDMEMMUPY-UHFFFAOYSA-N 295.251 0.309 50 50 CCGA O=C(O)CCOCCOCCOCCBr 83254122 OKWHCSUISPMYIJ-UHFFFAOYSA-N 285.134 0.906 50 50 CCGA CN1CCC(=NNC(=O)C(=O)NC(C)(C)C)CC1 55124636 HQHMOQVDKGUCTF-UHFFFAOYSA-N 254.334 0.099 50 50 CCGA CCn1cc(O[C@@H]2COC[C@@H]2NC(=O)[C@H](C)Cl)cn1 1875380747 YHMMEBBFXGKGIA-INTQDDNPSA-N 287.747 0.793 50 50 CCGA C[C@H](Cl)C(=O)N1CC[C@@H](CS(C)(=O)=O)C1 725452127 IKCVFQLBXVQUID-JGVFFNPUSA-N 253.751 0.507 50 50 CCGA CC(=O)NCC(=O)NNc1ncnc2ccccc12 1775970647 IZXIOLYDKMHDBW-UHFFFAOYSA-N 259.269 0.209 50 50 CCGA O=C(NNC(=O)C1=CCCCCC1)C(=O)N1CCCC1 130236488 XTYDFIOWAJVYTP-UHFFFAOYSA-N 279.340 0.647 50 50 CCGA N#Cc1ccc(COc2ccccc2B(O)O)cc1 169922425 IYHPJZAWRHJSBH-UHFFFAOYSA-N 253.066 0.817 50 50 CCGA in-vitro O=C(CCl)N1CCN(C(=O)c2cn(C3CC3)nn2)CC1 1875367311 UPDZYWOHILEXKM-UHFFFAOYSA-N 297.746 0.136 50 50 CCGA O=C(CCl)NC[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1875367754 JXWIHJFRMWRRDG-UWVGGRQHSA-N 294.804 0.546 50 50 CCGA O=C(NNC(=S)NC[C@@H]1CCCO1)c1ccccn1 610818 VXRMOVBVYCGKDN-VIFPVBQESA-N 280.353 0.370 50 50 CCGA CC1(C)[C@@H](N2CCOCC2)[C@@H](Cl)S1(=O)=O 22015763 YTMSFFQTDDPVCH-YUMQZZPRSA-N 253.751 0.459 50 50 CCGA N#CC1=C(N)Oc2c(oc(CO)cc2=O)[C@H]1c1cccnc1 141889 SDGVJEBYEJGBTE-LBPRGKRZSA-N 297.270 0.745 50 50 CCGA Nc1nonc1NC(=O)N/N=C\c1ccc([N+](=O)[O-])cc1 32609452 UDLHURYLVFUMGG-XGICHPGQSA-N 291.227 0.716 50 50 CCGA OB(O)c1ccnc(OCc2ccccc2)c1Cl 169964724 TWTQTIJOPRSDRZ-UHFFFAOYSA-N 263.489 0.994 50 50 CCGA O=C(NNc1ccc(F)cc1)[C@@H]1CN2CCCN1CC2 378301374 JPFZUZGHMPBOFZ-ZDUSSCGKSA-N 278.331 0.659 50 50 CCGA N#C/C(=C/c1ccc(/C=C(\C#N)C(N)=O)cc1)C(N)=O 13942439 MYGNBPLKWYTSCS-JTAXDKCCSA-N 266.260 0.471 50 50 CCGA Cc1c(B(O)O)ccc2c1cnn2[C@@H]1CCCCO1 261506843 BMWGDNRSRGGZAF-ZDUSSCGKSA-N 260.102 0.724 50 50 CCGA O=C(N/N=C/c1ccc(O)cc1O)c1cnccn1 228536 IPNIAMPORNCFLJ-GIDUJCDVSA-N 258.237 0.652 50 50 CCGA C[C@@H]1CCCCN1C(=O)c1ccc(B(O)O)cc1F 169744341 IJHOTKMDDHTUHC-SECBINFHSA-N 265.093 0.520 50 50 CCGA O=C(O)CCCCn1ccc2cc(B(O)O)ccc21 169746648 WAVUJDADJNKCDA-UHFFFAOYSA-N 261.086 0.576 50 50 CCGA CC(C)(C)Oc1ncc(B(O)O)c(OC(C)(C)C)n1 169747857 SOJAZSRAXNFWRH-UHFFFAOYSA-N 268.122 0.511 50 50 CCGA OB(O)c1cnc2ccccc2c1Br 169963076 MJWHSJOTPNCANL-UHFFFAOYSA-N 251.876 0.677 50 50 CCGA CC(C)C[C@@H](NC(=O)[C@H](C)Cl)C(=O)N=c1cc[nH][nH]1 1875363440 AFWXPZVKPQKLOL-DTWKUNHWSA-N 286.763 0.928 50 50 CCGA O=C(NNC(=S)NC[C@H]1CCCO1)c1ccccn1 610817 VXRMOVBVYCGKDN-SECBINFHSA-N 280.353 0.370 50 50 CCGA CC1=NNC(=O)[C@H]1CCC(=O)N/N=C/c1ccccc1O 100557080 ZCIKPVZIODDPED-UXYFDLPDSA-N 288.307 0.744 50 50 CCGA OB(O)c1ccc(COCC(F)(F)F)c(F)c1 199002022 SMRDWNVJXJGGKQ-UHFFFAOYSA-N 251.972 0.584 50 50 CCGA O=C(CCl)N1CC(S(=O)(=O)Nc2ccccc2)C1 1875366519 REKQMDJKTNNMHU-UHFFFAOYSA-N 288.756 0.878 50 50 CCGA CC(C)N1C(=O)N[C@@]2(CCN(C(=O)[C@H](C)Cl)C2)C1=O 1875380487 QJMOEOYTRUANJE-QPUJVOFHSA-N 287.747 0.545 50 50 CCGA C[C@@H](Cl)C(=O)NCC(=O)N(C)Cc1cccnc1 1875364679 QBSPQFNNYKZSAY-SECBINFHSA-N 269.732 0.784 50 50 CCGA Cc1cccc(OCC(=O)NNC(=O)C(C)(C)O)c1 170606050 NJGASQGOPGAIBX-UHFFFAOYSA-N 266.297 0.292 50 50 CCGA COc1ccccc1NC(=O)c1ccc(F)c(B(O)O)c1 169744087 DNYTYBVFHIQDEW-UHFFFAOYSA-N 289.071 0.766 50 50 CCGA OB(O)c1ccccc1CNc1ccc2[nH]ncc2c1 864026376 YPTUBMBMNUHDBD-UHFFFAOYSA-N 267.097 0.855 50 50 CCGA CCC(CC)NNC(=O)C(=O)NNC(CC)CC 1997373 BLYQHVLDAAOLES-UHFFFAOYSA-N 258.366 0.605 50 50 CCGA CC(=O)O[C@H]1[C@H](OC(C)=O)CO[C@H](Cl)[C@@H]1OC(C)=O 39344282 JWDUFIUUDGFMTM-YTWAJWBKSA-N 294.687 0.377 50 50 CCGA CC1=C[C@H]2[C@@H]3C(=O)OC(=O)[C@@H]3[C@H]1[C@@H]1[C@@H]3C(=O)OC(=O)[C@@H]3[C@H]21 252430796 KLCJBGADIXBIIG-QJQRKDRNSA-N 288.255 0.070 50 50 CCGA CN(C)[C@@H]1CS(=O)(=O)C(C#N)=CN1Nc1ccccc1 253495633 LKSMGSZAKTWKCC-ZDUSSCGKSA-N 292.364 0.997 50 50 CCGA CC(=O)NNC(=O)c1ccc2nc(S)oc2c1 163409553 IHBPQPARMFPWOM-UHFFFAOYSA-N 251.267 0.897 50 50 CCGA O=C(NNC(=O)c1ccc2cc[nH]c2n1)c1cc[nH]n1 1584322598 UWUYSSOCYWQKOK-UHFFFAOYSA-N 270.252 0.361 50 50 CCGA Cc1cc(C(=O)N/N=C2/C(=O)Nc3ccccc32)[nH]n1 5687181 ZQJHXEQGOZMOEQ-UHFFFAOYSA-N 269.264 0.804 50 50 CCGA COc1c(Br)cc(B(O)O)c(F)c1F 169951686 QWHLPUWLRAUTMV-UHFFFAOYSA-N 266.834 0.416 50 50 CCGA CC1=NNC(=O)[C@@H]1CC(=O)N/N=C/c1ccccc1 100620657 JJQQUVFFTVOHRQ-GYBQTFJISA-N 258.281 0.649 50 50 CCGA C[C@H]1[C@H](/C=C(\C#N)C(N)=S)C(=O)[C@H](C)CN1C 245242152 DDJDOUUUOIGZKM-PRWXLMQWSA-N 251.355 0.878 50 50 CCGA COc1ccccc1C(=O)NNC(=O)[C@@H]1CCCO1 195328 BMTLIYWCGRGMPJ-NSHDSACASA-N 264.281 0.635 50 50 CCGA N#CC(N)=C(C#N)N=Cc1cc2c(cc1[N+](=O)[O-])OCO2 2053535914 DDXICRIRDVJOPD-UHFFFAOYSA-N 285.219 0.960 50 50 CCGA CC(=O)NNC(=O)c1cc(Br)cc2nn[nH]c12 2325699978 OOHOXDGWZIEUMN-UHFFFAOYSA-N 298.100 0.501 50 50 CCGA NNC(=O)c1ccc(I)cc1 1737794 ZVFGHUJYTXEOSI-UHFFFAOYSA-N 262.050 0.895 50 50 CCGA in-vitro C/C(=N\NC(=O)C[C@H]1NCCNC1=O)c1ccccc1 25557935 YITOUTXGSDNDCW-YXHQGMJNSA-N 274.324 0.005 50 50 CCGA C=CCNC(=O)C(=O)N/N=C/c1ccc(OC)cc1 2892240 HIQITCNCLXCWTB-OQLLNIDSSA-N 261.281 0.448 50 50 CCGA O=C(NNC(=O)[C@@H]1[C@H]2CCCC[C@H]21)c1ccc(=O)oc1 217762230 VYWLDBZAVCHREI-IAZYJMLFSA-N 276.292 0.837 50 50 CCGA C[C@@H]1CC[C@@H](C)N(C(=O)c2cc(B(O)O)ccc2F)C1 584953624 FFDRBRBEPLMIEK-NXEZZACHSA-N 279.120 0.766 50 50 CCGA CCOC(=O)c1nnn(-c2nonc2N)c1CSC#N 2025366 PTYBIUSKHLXFSX-UHFFFAOYSA-N 295.284 0.123 50 50 CCGA NC(=O)N(CC(=O)O)/N=C/C=C/c1ccc([N+](=O)[O-])o1 2897564 JBPMXAXHNIDOCA-LYTCUFGASA-N 282.212 0.652 50 50 CCGA C[C@H](O)CCC(=O)N/N=C/c1cc([N+](=O)[O-])ccc1O 35327785 BOQJUSPERKEWRU-MTDSNMTDSA-N 281.268 0.912 50 50 CCGA N#Cc1ccc(OCc2ccccc2)c(B(O)O)c1 242750346 ZMSAOIQFJZXGRZ-UHFFFAOYSA-N 253.066 0.817 50 50 CCGA O=C(N/N=C/c1ccc(O)cc1O)c1ccc(O)nn1 281361 MTPRLPSFYUBLCE-AWNIVKPZSA-N 274.236 0.357 50 50 CCGA CN(Cc1nc(O)c2cnn(C)c2n1)C(=O)CCl 1875368909 FCHGVYVUQNNAMT-UHFFFAOYSA-N 269.692 0.266 50 50 CCGA N#CC(C#N)=C(N)/C(C#N)=C\c1cc(O)c(O)c(O)c1 3199665 JKNOYWVMHPMBEL-QPIMQUGISA-N 268.232 0.970 50 50 CCGA in-vitro COc1ccc(CNC(=O)c2cccc(B(O)O)c2)cc1 202162215 WJHSWLXHDJCBAY-UHFFFAOYSA-N 285.108 0.305 50 50 CCGA O=C(N[C@@H]1CC(=O)N(CC(F)(F)F)C1)[C@H](F)Cl 2325898596 NCWMLPUAYNKUOY-XINAWCOVSA-N 276.617 0.800 50 50 CCGA COC(=O)c1cc(OCc2ccccc2)cc(B(O)O)c1 687740649 KTUCVFRAZQCPNK-UHFFFAOYSA-N 286.092 0.732 50 50 CCGA Nc1nonc1C(=O)N/N=C/c1cc(Cl)ccc1O 58499 RGSPPRWRGIWLEE-YIXHJXPBSA-N 281.659 0.775 50 50 CCGA O=C(CN1CCSCC1)N/N=C/c1cccnc1 55554721 QJNGPVWHEJQHRB-NTEUORMPSA-N 264.354 0.581 50 50 CCGA OB(O)c1ccc(OCCOc2ccncc2)cc1 169978065 ZOCVHKMDBOKPKI-UHFFFAOYSA-N 259.070 0.219 50 50 CCGA O=C(N/N=C/c1ccccc1F)C(=O)N1CCCC1 2892354 DARAWKWAAJEBSD-OQLLNIDSSA-N 263.272 0.898 50 50 CCGA O=C(NCc1ccc(F)cc1)c1ccc(B(O)O)cc1F 169744187 NRNQZDMAGAXOMZ-UHFFFAOYSA-N 291.062 0.575 50 50 CCGA COc1cccc2c1OC[C@@H](NC(=O)CCl)C2=O 1875377842 PAAKPNIDPIYYHA-MRVPVSSYSA-N 269.684 0.994 50 50 CCGA O=C(Nc1ccccc1F)c1ccc(B(O)O)cc1F 169744107 FKDUOBHANCPSGI-UHFFFAOYSA-N 277.035 0.897 50 50 CCGA OB(O)c1ccccc1CN1CCc2ccccc21 203187858 KBUHZYQHNPZPHS-UHFFFAOYSA-N 253.110 0.929 50 50 CCGA O=C(NCc1ccccc1F)c1cc(F)cc(B(O)O)c1 169744090 UINFTLMSMWGJLO-UHFFFAOYSA-N 291.062 0.575 50 50 CCGA OB(O)c1c(Cl)ccc(Br)c1F 169807033 WMSQTXKBDIXIPN-UHFFFAOYSA-N 253.263 0.921 50 50 CCGA O=C(NCCS(=O)(=O)NCC1CCC1)[C@H](F)Cl 2325898771 ZPFFLYIQNWSEGG-QMMMGPOBSA-N 286.756 0.357 50 50 CCGA C=CCNC(=S)NNC(=O)[C@@H](O)c1ccccc1 2877072 MZBFDHQNLPIGNG-JTQLQIEISA-N 265.338 0.401 50 50 CCGA CCCCNC(=O)c1cc(B(O)O)ccc1Cl 169745425 PAXNXDXMDDBNJD-UHFFFAOYSA-N 255.510 0.550 50 50 CCGA in-vitro CC(C)(C)OC(=O)NCc1ccc(B(O)O)cc1 169745722 MUBGEKQUCSEECZ-UHFFFAOYSA-N 251.091 0.391 50 50 CCGA Cc1nc(CN2CCCN(C(=O)CCl)CC2)no1 1875364718 ROUVINZLUPPYMR-UHFFFAOYSA-N 272.736 0.651 50 50 CCGA O=C(N/N=C/c1ccc(C(=O)O)cc1)C(=O)N1CCCC1 4954342 QLPRFLJFEZHJGQ-OQLLNIDSSA-N 289.291 0.457 50 50 CCGA Cn1cccc1CC(=O)NNC(=S)NC[C@H]1CCCO1 612057 RNMBTSXZDRSLTI-LLVKDONJSA-N 296.396 0.242 50 50 CCGA CC1(C)[C@H](N2CCOCC2)[C@@H](Cl)S1(=O)=O 22015766 YTMSFFQTDDPVCH-SFYZADRCSA-N 253.751 0.459 50 50 CCGA C[C@@H]1CCCCN1C(=O)c1ccc(F)c(B(O)O)c1 169744216 WUPGAFQQYJVDKA-SECBINFHSA-N 265.093 0.520 50 50 CCGA CNC(=S)NNC(=O)c1c(Cl)c(C)nn1C 374615 UCWFZVIWNDJNSI-UHFFFAOYSA-N 261.738 0.121 50 50 CCGA COCCOc1cc(Cl)c(Cl)cc1B(O)O 169934509 VPTJSQLBVWGXSY-UHFFFAOYSA-N 264.901 0.698 50 50 CCGA in-vitro C[C@H](Cl)C(=O)N1CCC(n2cnc(C#N)n2)CC1 1875376138 NFWOOEOXBXAMSD-QMMMGPOBSA-N 267.720 0.941 50 50 CCGA CN(CCNC(=O)CCl)S(=O)(=O)c1cccs1 1323270418 XQTTWUSSIFUFKR-UHFFFAOYSA-N 296.801 0.724 50 50 CCGA O=C(N/N=C/c1cccnc1)C(=O)N1CCCCCC1 2314279 VDLXPLKUWIZEDF-LFIBNONCSA-N 274.324 0.934 50 50 CCGA COc1cc(B(O)O)c(Cl)cc1OC(F)(F)F 169964790 NXEVTVKKAKXECU-UHFFFAOYSA-N 270.399 0.927 50 50 CCGA CC1=C[C@H]([C@@H]2CC(=O)OC2=O)C[C@@H]2C(=O)OC(=O)[C@@H]12 148880702 DGQOZCNCJKEVOA-GHCJXIJMSA-N 264.233 0.358 50 50 CCGA in-vitro N#C/C(=C\c1ccccc1OCC(N)=O)C(N)=S 2886252 KFBYTPFQHUPWKU-WEVVVXLNSA-N 261.306 0.744 50 50 CCGA C/C(=N\NC(=O)c1cc[nH]n1)c1cc(O)ccc1O 4750467 MPXOQKJTIBYQRN-VGOFMYFVSA-N 260.253 0.975 50 50 CCGA NNC(=O)C[C@H]1CC(c2ccc(Cl)cc2)=NN1 22015633 KZPYDMISIKSAGQ-SECBINFHSA-N 252.705 0.786 50 50 CCGA OB(O)c1cccc(I)c1F 169747984 NNMDGAIATJXYFJ-UHFFFAOYSA-N 265.818 0.110 50 50 CCGA CCOc1ccc(C(=O)NNC(=S)NC)cc1 1440217 QQUWDCUREOBXQY-UHFFFAOYSA-N 253.327 0.824 50 50 CCGA OB(O)c1cccc(Br)c1Br 170002474 UOOQFBQJMDTAKV-UHFFFAOYSA-N 279.724 0.891 50 50 CCGA C[C@H]1CC[C@@H](C)CN1C(=O)c1ccc(B(O)O)cc1 584953298 AXFWGYVCRRYTJS-MNOVXSKESA-N 261.130 0.627 50 50 CCGA Cc1cc(C(=O)N/N=C/c2ccc(O)cc2O)[nH]n1 8556233 BDXMAAFDSDQNKJ-AWNIVKPZSA-N 260.253 0.893 50 50 CCGA O=C(NNC(=O)c1ccc[nH]1)c1ccnc(C2CC2)n1 732654849 IGJNKPANDCZRCX-UHFFFAOYSA-N 271.280 0.757 50 50 CCGA COc1ccc(CN2CCC[C@H](C(=O)NN)C2)cc1 16662244 CPMPTYWYTMXSJK-LBPRGKRZSA-N 263.341 0.897 50 50 CCGA Cc1nc([C@@H]2COCCN2C(=O)[C@H](C)Cl)no1 1875380307 LGLNYYNRHDYUHP-XPUUQOCRSA-N 259.693 0.905 50 50 CCGA NNC(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 4600542 CVBUBNCMYUNOGC-ZETCQYMHSA-N 253.689 0.683 50 50 CCGA CCOC(=O)c1cc2c(B(O)O)cccc2s1 170002550 KJIGTZDEHUXDTF-UHFFFAOYSA-N 250.084 0.758 50 50 CCGA COc1ccc(NC(=O)c2ccc(B(O)O)c(F)c2)cc1 169744602 PMWFMMOREWFFPE-UHFFFAOYSA-N 289.071 0.766 50 50 CCGA OB(O)c1cc(O)c(OC(F)(F)F)cc1Cl 169978176 XVILRSOBZRBVFC-UHFFFAOYSA-N 256.372 0.624 50 50 CCGA C[C@H]1CCCN(C(=O)c2ccc(F)c(B(O)O)c2)C1 169744221 VDTRTQZWPBEQKH-VIFPVBQESA-N 265.093 0.378 50 50 CCGA O=C(CCl)N1CCC[C@@]12CCCS(=O)(=O)C2 1875369027 WBTPGFUFKWWOOT-JTQLQIEISA-N 265.762 0.795 50 50 CCGA OB(O)c1c(F)cc(Br)cc1Cl 197953692 LBFNZCCJHCLXLI-UHFFFAOYSA-N 253.263 0.921 50 50 CCGA O=C(CCl)NC[C@@]1(O)[C@H]2[C@@H]3C[C@@H]4[C@@H]5C[C@@H]([C@@H]2[C@@H]53)[C@@H]41 1875375477 CEJMEIFBVSWQSN-SMBSWWQOSA-N 267.756 0.850 50 50 CCGA NNC(=O)CSCC(=O)Nc1cccc([N+](=O)[O-])c1 2506191 UMGMLYGSGMDIKI-UHFFFAOYSA-N 284.297 0.256 50 50 CCGA CN(C(=O)OC(C)(C)C)c1cc(B(O)O)cnc1Cl 170002635 CAGXJGMRBZVSQQ-UHFFFAOYSA-N 286.524 0.786 50 50 CCGA COCC(=O)NNC(=S)Nc1ccc(OC)cc1OC 2851824 ATQOTPFPELHRGK-UHFFFAOYSA-N 299.352 0.668 50 50 CCGA O=CNN=c1nc(Br)[nH]n1Cc1ccccc1 1267971644 IACOTFZDFFUPEE-UHFFFAOYSA-N 296.128 0.584 50 50 CCGA Cc1nc2c(n1CCO)CC[C@H](NC(=O)CCl)C2 1875375181 UCHVFKFLSZNBKJ-VIFPVBQESA-N 271.748 0.396 50 50 CCGA O=C(NCC1CCCCC1)c1ccc(F)c(B(O)O)c1 169747245 VRYJPOGKZNVFFH-UHFFFAOYSA-N 279.120 0.816 50 50 CCGA O=C(NNC(=O)c1ccco1)c1cnc(C2CC2)[nH]1 1875254649 PMCCXDZLKLGNRR-UHFFFAOYSA-N 260.253 0.955 50 50 CCGA O=C(NCc1cnoc1C1CC1)c1cccc(B(O)O)c1 1775994177 XFVONORZQXWOAU-UHFFFAOYSA-N 286.096 0.162 50 50 CCGA C[C@@H](NC(=O)c1ccc(Br)cc1)C(=O)NN 375106 BALFLOQITYZTFL-ZCFIWIBFSA-N 286.129 0.557 50 50 CCGA O=C1CC[C@H]2CN1C[C@@H](CI)O2 1536219931 YBDXSAYPXIZUEM-NKWVEPMBSA-N 281.093 0.811 50 50 CCGA N#Cc1ccccc1COc1ccccc1B(O)O 169922431 KMFCIPQMUBUQLW-UHFFFAOYSA-N 253.066 0.817 50 50 CCGA in-vitro OB(O)c1cc(F)ccc1OCC1CCOCC1 169922632 QGVLXAPVLSQQRF-UHFFFAOYSA-N 254.066 0.311 50 50 CCGA in-vitro N#CC(C(=O)NCc1ccccc1)=C1NCCCN1 170610652 DMAHOWMATPUXQW-UHFFFAOYSA-N 256.309 0.621 50 50 CCGA Cn1cc([C@@H]2C[C@H](NC(=O)CCl)CCO2)cn1 1875374676 CIDOOLDWUBEIPL-ZJUUUORDSA-N 257.721 0.995 50 50 CCGA Cc1occc1CNC(=O)c1ccc(B(O)O)c(C=O)c1 2325873576 LYTAVQVAGDSACE-UHFFFAOYSA-N 287.080 0.010 50 50 CCGA O=C(NNC(=O)c1ccco1)C(=O)N1CCCCC1 2933962 SAMDOQJXVHZYSU-UHFFFAOYSA-N 265.269 0.053 50 50 CCGA C[C@@H]1CCCN(C(=O)c2ccc(B(O)O)cc2Cl)C1 169744147 LQHHGVARTVXEQG-SECBINFHSA-N 281.548 0.892 50 50 CCGA COCCO[Si](C)(OCCOC)OCCOC 169808594 OLTVTFUBQOLTND-UHFFFAOYSA-N 268.382 0.544 50 50 CCGA CC(C)(C)OC(=O)n1ncc2cc(B(O)O)ccc21 169997057 UPCYSNYVECFOJZ-UHFFFAOYSA-N 262.074 0.499 50 50 CCGA O=C(NNC(=O)N1C[C@@H]2C[C@H]1[C@H]1C[C@H]12)c1ncccn1 1875300648 LVYKEIWYWHCJSX-XKNYDFJKSA-N 273.296 0.171 50 50 CCGA O=C(CBr)c1ccc(B(O)O)cc1F 169747439 BXVHKBNJUHSCRF-UHFFFAOYSA-N 260.855 0.083 50 50 CCGA in-vitro O=Cc1cc(OCc2ccccc2)ccc1B(O)O 169747945 XRARNEIDTRHXKN-UHFFFAOYSA-N 256.066 0.758 50 50 CCGA O=C(NC[C@@H]1CCCO1)C1CCN(C(=O)CCl)CC1 1875363479 DKQIOOXVUKOZFZ-NSHDSACASA-N 288.775 0.759 50 50 CCGA NNC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1 66055459 OJDHMQYVZZUCRE-ZETCQYMHSA-N 253.689 0.683 50 50 CCGA O=C1CC[C@@H](C(=O)NNC(=S)Nc2ccccc2)N1 913435442 AJHAOVUTZZSMMR-VIFPVBQESA-N 278.337 0.283 50 50 CCGA CNC(=S)NNC(=O)c1ccc(OC)c(OC)c1 40464 IQOMOUXYZRGOAZ-UHFFFAOYSA-N 269.326 0.443 50 50 CCGA biogenic,in-vitro CCCN(CCC)S(=O)(=O)c1ccccc1B(O)O 170002022 JJLLGPFPRNNDGP-UHFFFAOYSA-N 285.174 0.177 50 50 CCGA COC(=O)/C(C(=O)CCl)=C(/N)NC(=O)c1ccccc1 100139071 LBKIRMJBUIVZMV-KHPPLWFESA-N 296.710 0.568 50 50 CCGA OB(O)c1cc2ccccc2nc1Br 169747058 RUDILYIFXMOEIO-UHFFFAOYSA-N 251.876 0.677 50 50 CCGA C[C@@H](Cl)C(=O)NCc1cc(=O)n2ccccc2n1 1875377506 FZSSIGYTXRCWIP-MRVPVSSYSA-N 265.700 0.938 50 50 CCGA CCN1CCN(CC(=O)N/N=C/c2ccccc2)CC1 19594894 PCOLKHMFOFFREA-FOWTUZBSSA-N 274.368 0.774 50 50 CCGA C[C@H](Cl)C(=O)NC1(C(=O)N(C)C)CC(F)(F)C1 1875368936 IKRAWAIUBKQMMY-LURJTMIESA-N 268.691 0.986 50 50 CCGA C=CCNC(=S)NNC(=O)[C@H](O)c1ccccc1 2877071 MZBFDHQNLPIGNG-SNVBAGLBSA-N 265.338 0.401 50 50 CCGA COc1cc(B(O)O)ccc1OCc1ccccc1 169745321 PBVVDNNISDIUSU-UHFFFAOYSA-N 258.082 0.954 50 50 CCGA in-vitro COCCOc1ccc(/C=C(\C#N)C(=O)NC(N)=O)cc1 221743887 PLXXGFKSKMIRFE-DHZHZOJOSA-N 289.291 0.814 50 50 CCGA N#CCCSCC[Si]12OCCN(CCO1)CCO2 169797614 LUKHMKBULYIOGO-UHFFFAOYSA-N 288.445 0.951 50 50 CCGA Cc1[nH]c(=O)c(C#N)c(C)c1CNC(=O)CCl 12372102 UNUKZYVFIAMXOQ-UHFFFAOYSA-N 253.689 0.718 50 50 CCGA CN1CCN(CC(=O)N/N=C\c2c[nH]c3ccccc23)CC1 19339975 UDIKBQBJXBZMFC-WQRHYEAKSA-N 299.378 0.865 50 50 CCGA CN(C)NC(=O)NCCCCCCNC(=O)NN(C)C 4566308 VETHREXFBVHLJJ-UHFFFAOYSA-N 288.396 0.098 50 50 CCGA Cc1cn(CC[Si]23OCCN(CCO2)CCO3)cn1 198039126 HHECZESNIYGNNW-UHFFFAOYSA-N 283.404 0.509 50 50 CCGA O=C(CCl)NCc1ccc2c(c1)NC(=O)CO2 4601684 YAHVAJHDLQZJFE-UHFFFAOYSA-N 254.673 0.873 50 50 CCGA Cc1ncsc1C(=O)NCCNC(=O)[C@H](C)Cl 1875363928 DPZPUJKRBKQRBO-LURJTMIESA-N 275.761 0.925 50 50 CCGA OB(O)c1cc(F)c(F)c(OCC(F)(F)F)c1 196236941 CDDYENUINDWWMW-UHFFFAOYSA-N 255.935 0.586 50 50 CCGA Cc1ccc(OCC(=O)NNC(=O)c2cc(C)n[nH]2)cc1 4137015 VVYMVSHQIDTJJZ-UHFFFAOYSA-N 288.307 0.867 50 50 CCGA COc1cc(-c2cc(C(=O)NN)n[nH]2)cc(OC)c1OC 685943938 NZWPQCZCHACTJB-UHFFFAOYSA-N 292.295 0.706 50 50 CCGA O=[N+]([O-])c1cc(B(O)O)c(C(F)(F)F)cc1F 616568049 ZYFFVALTKVPCAQ-UHFFFAOYSA-N 252.916 0.433 50 50 CCGA Cc1noc([C@@]2(O)CCN(C(=O)[C@H](C)Cl)C2)n1 1875380019 CFEIUVSXKXGQLJ-QUBYGPBYSA-N 259.693 0.425 50 50 CCGA OB(O)c1cc(C(F)(F)F)nn1[C@@H]1CCCCO1 169744799 IIRVABFYRULQMI-QMMMGPOBSA-N 264.012 0.281 50 50 CCGA in-vitro Nc1nnnn1CC(=O)NN=C/C=C\c1ccccc1 252677936 BIKOTJXHBOGACJ-XXHVMYQTSA-N 271.284 0.071 50 50 CCGA CC(C)(C)C(=O)NC(=S)NNC(=O)c1ccncc1 4840468 NZBUSROUFZQJKV-UHFFFAOYSA-N 280.353 0.763 50 50 CCGA O=C(CCl)N1CCOC2(CC1)CCS(=O)(=O)CC2 1875375225 VTEYUYUTGVQEAY-UHFFFAOYSA-N 295.788 0.422 50 50 CCGA CCS(=O)(=O)N1CCC[C@@H]1CNC(=O)CCl 1875374379 MWCXIGFRNYHLLW-MRVPVSSYSA-N 268.766 0.156 50 50 CCGA CCCCNC(=O)c1ccc(B(O)O)c(Cl)c1 169744297 OAULJDWHAMJENY-UHFFFAOYSA-N 255.510 0.550 50 50 CCGA OB(O)c1ccc(Cl)c(Br)c1F 169955456 NCASPTLBORLQPV-UHFFFAOYSA-N 253.263 0.921 50 50 CCGA COC(=O)[C@]12CN(C(=O)[C@H](C)Cl)C[C@H]1CCO2 1875376337 SXZDTPSVFSTWGF-RNSXUZJQSA-N 261.705 0.404 50 50 CCGA O=C(CCl)NCCN1C(=O)COc2ccccc21 1336909958 JJHQRLLNBJSVQE-UHFFFAOYSA-N 268.700 0.767 50 50 CCGA O=C(Nc1ccncc1)c1cc(F)cc(B(O)O)c1 169744326 JLFUQZXAJMWGIO-UHFFFAOYSA-N 260.033 0.153 50 50 CCGA O=C(NNC(=O)[C@@H]1CCCO1)c1csc(C2CC2)n1 2325726625 RWMDTWSDIMYZAN-VIFPVBQESA-N 281.337 0.961 50 50 CCGA Cn1c(=O)c2cn(CCBr)cc2n(C)c1=O 525896 CLPWLJZDEOEFFD-UHFFFAOYSA-N 286.129 0.434 50 50 CCGA CC1=NN=C(O)[C@@H]1CC(=O)N/N=C/c1ccc(O)cc1O 9317292 VJCJIWIANYGYTE-GCIHHOABSA-N 290.279 0.900 50 50 CCGA COc1cc(F)ccc1NNC(=O)[C@H]1COCCO1 239653753 BLEQJKXELDKAFZ-LLVKDONJSA-N 270.260 0.693 50 50 CCGA C[C@H](Cl)C(=O)N1CCCN(C(=O)[C@H]2CCCO2)CC1 1875364919 YAOANYHRAPEMQH-WDEREUQCSA-N 288.775 0.854 50 50 CCGA CN(C)S(=O)(=O)c1cc(C(=O)NN)ccc1Cl 71771428 IHDZANIVTLVSTC-UHFFFAOYSA-N 277.733 0.194 50 50 CCGA CC(C)C[C@H](NC(=O)[C@@H](C)Cl)C(=O)NCCN(C)C 1875303804 NRGXYQXCLPLCGV-MNOVXSKESA-N 291.823 0.822 50 50 CCGA C[C@H](Cl)C(=O)N1CCC2(CC1)NC(=O)[C@H](C)O2 1875376487 YLHMCINQIXQUKO-YUMQZZPRSA-N 260.721 0.467 50 50 CCGA Cn1ccnc1[C@@](O)(CCNC(=O)CCl)C(F)(F)F 1323268511 FDOFROVSKULNPE-VIFPVBQESA-N 299.680 0.915 50 50 CCGA CCCCNC(=O)c1cccc(OCC(=O)NN)c1 217047023 FHZISRLKDRJWBC-UHFFFAOYSA-N 265.313 0.585 50 50 CCGA O=C1CCCC[C@@H](C(=O)NCC(Cl)Cl)N1 408520258 YZMIEYVPNRNZFG-LURJTMIESA-N 253.129 0.965 50 50 CCGA C[C@H]1CCCN(C(=O)c2ccc(Cl)c(B(O)O)c2)C1 169744598 ZVIMXTNBZYRNLO-VIFPVBQESA-N 281.548 0.892 50 50 CCGA CC(C)(C)OC(=O)Nc1cc(F)cc(B(O)O)c1 210458927 UYWVLKIFBQTGHJ-UHFFFAOYSA-N 255.054 0.853 50 50 CCGA CN1CCN(CCC(=O)N/N=C/c2ccsc2)CC1 19535981 YSBHLWKWYOYETF-GXDHUFHOSA-N 280.397 0.836 50 50 CCGA O=C(N/N=C/c1ccc2c(c1)OCO2)c1cc[nH]n1 301124 GPOXBFOQNCKBEP-MKMNVTDBSA-N 258.237 0.902 50 50 CCGA CCOC(=O)[C@@H](CCC#N)NC(=O)[C@@H](F)Cl 2325820747 YCCLIGBXYILMIQ-RNFRBKRXSA-N 250.657 0.872 50 50 CCGA CCCN(CCC)C(=O)c1ccc(B(O)O)cc1F 169744286 ORMAWIZXNSZRSL-UHFFFAOYSA-N 267.109 0.768 50 50 CCGA O=C(c1occ2c1CCOC2)N1CC=C(B(O)O)CC1 1875366843 LGBUGHMYABJSPR-UHFFFAOYSA-N 277.085 0.137 50 50 CCGA CCOc1c(Br)cc(F)cc1B(O)O 169876849 VCQYFCFOYYCYJA-UHFFFAOYSA-N 262.871 0.667 50 50 CCGA in-vitro CC1=NNC(=O)[C@@H]1CCC(=O)N/N=C/c1cccnc1 100557119 YSJRXSUAVHBJLG-OXFWXOROSA-N 273.296 0.434 50 50 CCGA O=C(CCl)N1CCC2(CC1)NC(=O)C1(CCCCC1)N2 1875364302 KPZRLPNXLOMJKJ-UHFFFAOYSA-N 299.802 0.966 50 50 CCGA CC1CCN(C(=O)c2ccc(F)c(B(O)O)c2)CC1 169744312 PBHCGBUAOXBGIF-UHFFFAOYSA-N 265.093 0.378 50 50 CCGA Nc1ccccc1C(=O)NNC(=S)NC(=O)C1CC1 952963832 LNHKGILVTKGSHZ-UHFFFAOYSA-N 278.337 0.314 50 50 CCGA COc1cc(OC)cc(C(=O)NNC(=S)NC2CC2)c1 13519254 IYTYNAXUACRLSG-UHFFFAOYSA-N 295.364 0.975 50 50 CCGA CCCN(CCC)C(=O)c1cc(F)cc(B(O)O)c1 169744073 ADUMGFJCAVYOSR-UHFFFAOYSA-N 267.109 0.768 50 50 CCGA COc1cc2nc(O)c(C(=O)NN)c(O)c2cc1OC 299738229 LDHHQOJCZKZIMB-UHFFFAOYSA-N 279.252 0.267 50 50 CCGA COc1cccc(/C=N\NC(=O)CN2CCN(C)CC2)c1 32666318 KRTTXZJLDJMTLB-WJDWOHSUSA-N 290.367 0.393 50 50 CCGA C[C@H]1CC[C@@H](C)N(C(=O)c2cccc(B(O)O)c2)C1 584954498 LMLHRLARKDSXPD-WDEREUQCSA-N 261.130 0.627 50 50 CCGA Cn1cc(C(=O)N/N=C/c2cccc(O)c2)ccc1=O 109205 DCEBPUNKMQLAHP-OVCLIPMQSA-N 271.276 0.855 50 50 CCGA O=C(Nc1ccccn1)c1ccc(B(O)O)c(F)c1 169744493 BQPASOFWIPLZGZ-UHFFFAOYSA-N 260.033 0.153 50 50 CCGA CN1CCN(CCC(=O)N/N=C/c2ccccn2)CC1 19535954 BPTXBGBBEWNJAG-FOWTUZBSSA-N 275.356 0.169 50 50 CCGA CCc1nc2cc(B(O)O)c(F)cc2n1C(C)C 170001878 NKLYWFFVZTUDRW-UHFFFAOYSA-N 250.082 0.999 50 50 CCGA O=C(CCl)NC[C@H](O)Cn1ccc2ccccc2c1=O 1875379475 REKJBOQKXHEJGA-NSHDSACASA-N 294.738 0.717 50 50 CCGA Cc1ncc(CO)c(/C=N/NC(=O)c2ccncc2)c1O 256094 BQYIXOPJPLGCRZ-REZTVBANSA-N 286.291 0.747 50 50 CCGA in-vitro CN(C(=O)OC(C)(C)C)c1ccc(B(O)O)c(F)c1 170002586 SLNXRRNKDOKEGZ-UHFFFAOYSA-N 269.081 0.877 50 50 CCGA N#C/C(N)=C(\C#N)N=Cc1ccc(OCC(=O)O)cc1 245240519 YVNRTMSCNOYYLL-JYARQQABSA-N 270.248 0.786 50 50 CCGA CN(C)NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 892 NJYBZXINKWROMG-UHFFFAOYSA-N 277.733 0.194 50 50 CCGA in-man CC(C)CN1CCC[C@H]1C(=O)NNC(=O)C(C)(C)O 952876802 FPUXSMIGTQFIFQ-JTQLQIEISA-N 271.361 0.025 50 50 CCGA O=C(Nc1ccccc1)c1ccc(F)c(B(O)O)c1 169745513 KNJJUAJHTJOKIU-UHFFFAOYSA-N 259.045 0.758 50 50 CCGA C[C@H](Cl)C(=O)NCCNC(=O)c1ncccc1O 1875363695 SDBCRJFVTCIFKQ-ZETCQYMHSA-N 271.704 0.261 50 50 CCGA CC1=NNC(=O)[C@H]1CC(=O)N/N=C(\C)c1ccco1 100609667 ZETQPFIHTLUNII-PFMRQGHBSA-N 262.269 0.632 50 50 CCGA CO[Si](CC[Si](OC)(OC)OC)(OC)OC 169746939 JCGDCINCKDQXDX-UHFFFAOYSA-N 270.430 0.743 50 50 CCGA COC(=O)c1cccn1[C@H](B(O)O)c1ccc(OC)cc1 169978190 GQKHAWNZBHGYHC-ZDUSSCGKSA-N 289.096 0.885 50 50 CCGA Cc1ccc2c(cnn2[C@@H]2CCCCO2)c1B(O)O 575631061 NZYJBZOXEHVCHI-LBPRGKRZSA-N 260.102 0.724 50 50 CCGA O=C(CI)ON1C(=O)CCC1=O 2522681 VRDGQQTWSGDXCU-UHFFFAOYSA-N 283.021 0.029 50 50 CCGA in-vitro COc1ccc([C@H]2Cn3nnc(C(=O)NN)c3CO2)cc1 1775972992 IRTIWCJRHHHKMW-LLVKDONJSA-N 289.295 0.162 50 50 CCGA CN(Cc1ccccc1)C(=O)c1cc(B(O)O)ccc1F 169744421 FREIJIJSCNOCCI-UHFFFAOYSA-N 287.099 0.778 50 50 CCGA C[C@H](Sc1nnnn1-c1ccccc1)C(=O)NN 350598 NMMQKMXUYYTVIK-ZETCQYMHSA-N 264.314 0.133 50 50 CCGA CCN1CCN([C@@H](C)c2cccc(B(O)O)c2)CC1 230551325 FIEGODVIRPDBCI-LBPRGKRZSA-N 262.162 0.065 50 50 CCGA N#CC1=C(c2cccc3c2OC(F)(F)O3)C(=O)NC1=O 1875367004 HWAHFPOFQKRSCB-UHFFFAOYSA-N 278.170 0.942 50 50 CCGA C[C@H]1CC[C@@H](C)N(C(=O)c2cc(B(O)O)ccc2F)C1 584953627 FFDRBRBEPLMIEK-VHSXEESVSA-N 279.120 0.766 50 50 CCGA Nc1cc(B(O)O)cc(C(=O)Nc2ccccc2)c1 169978048 JCQUZYJCRVOKOP-UHFFFAOYSA-N 256.070 0.201 50 50 CCGA Cn1nc2c(c1/C=N/NC(=O)CC1CC1)COCC2 2325764954 ATOXBQKUBACVLB-VGOFMYFVSA-N 262.313 0.743 50 50 CCGA CCOC(=O)CN1C(=O)/C(=N\NC(C)=O)c2ccccc21 6871841 CMDDCWBQJYCZKX-SSZFMOIBSA-N 289.291 0.437 50 50 CCGA COCCCNC(=S)NNC(=O)c1ccoc1C 8682699 DWZLUJXYLKNGNK-UHFFFAOYSA-N 271.342 0.733 50 50 CCGA O=C1O[C@@H]2[C@H]3C[C@H]([C@@H](CO)[C@H]13)[C@@H]2I 253388580 PSTGDDPSSSCMBH-PPOMMRCSSA-N 294.088 0.590 50 50 CCGA OB(O)c1ccc(Br)c(Br)c1 170002688 XKIRCGHFBJLPPW-UHFFFAOYSA-N 279.724 0.891 50 50 CCGA N#Cc1cc(F)cc(B(O)O)c1OCc1ccccc1 616567897 DXLCKDJPOZRLDZ-UHFFFAOYSA-N 271.056 0.956 50 50 CCGA C[C@H](Cl)C(=O)N1CC(C2CS(=O)(=O)C2)C1 1875379960 AMLMKVNPKIAITP-LURJTMIESA-N 251.735 0.117 50 50 CCGA O=C1CCCC[C@H](C(=O)NCC(Cl)Cl)N1 408520262 YZMIEYVPNRNZFG-ZCFIWIBFSA-N 253.129 0.965 50 50 CCGA Cc1ccc(S(=O)(=O)NNC(=O)NC(C)C)cc1 3086383 JBJULZMQUQVHFO-UHFFFAOYSA-N 271.342 0.896 50 50 CCGA CC[C@H](C)NC(=S)NNC(=O)c1ccncc1 13497019 FKBGAKAZQBULQJ-QMMMGPOBSA-N 252.343 0.989 50 50 CCGA Cc1nn(C)c(NNC(=O)c2ccccn2)c1C#N 1875350021 YBDBQHOLOXUECN-UHFFFAOYSA-N 256.269 0.752 50 50 CCGA O=C(NCc1ccccc1)c1ccc(B(O)O)c(Cl)c1 169744121 KZNFIAMJDIXVJT-UHFFFAOYSA-N 289.527 0.950 50 50 CCGA C[C@@H](NC(=O)OC(C)(C)C)c1ccc(B(O)O)cc1 200461703 MSAGOVOMQIQREX-SECBINFHSA-N 265.118 0.952 50 50 CCGA COC(=O)CCC(=O)NNC(=O)[C@H]1C[C@H]1c1ccccc1 2937686 ATBVPXOGJYTRBA-RYUDHWBXSA-N 290.319 0.891 50 50 CCGA C[C@H](Cl)C(=O)N[C@]1(C(N)=O)CCOc2ccccc21 1875364366 OYHUNRUGSWWBIQ-ISVAXAHUSA-N 282.727 0.893 50 50 CCGA O=C(NNC(=O)c1ccco1)c1cc(O)c(O)c(O)c1 2172424 JBQIICYGZVLXOK-UHFFFAOYSA-N 278.220 0.471 50 50 CCGA O=C(O)/C=C\C(=O)NNC(=O)[C@@H]1C[C@@H]1c1ccccc1 100300288 LNTZNXCWGIGMBO-GYHQZXBOSA-N 274.276 0.578 50 50 CCGA N/N=C1\CCCc2c1[nH]c1ccc(C(=O)NN)cc21 213082 ALIPTOOSGFRSLA-GZTJUZNOSA-N 257.297 0.771 50 50 CCGA COc1ccc(NC(=O)c2ccc(F)c(B(O)O)c2)cc1 169744387 LDVHLHUFWQTHCM-UHFFFAOYSA-N 289.071 0.766 50 50 CCGA CN(C)NC(=O)NS(=O)(=O)c1ccccc1Cl 22016115 MAQXGHXGALPZET-UHFFFAOYSA-N 277.733 0.805 50 50 CCGA COC(=O)[C@@H](N)CCSSCC[C@H](N)C(=O)OC 38780952 XCVQQXLYZPOPIJ-YUMQZZPRSA-N 296.414 0.149 50 50 CCGA C[C@H]1[C@H](/C=C(/C#N)C(N)=S)C(=O)[C@H](C)CN1C 252320602 DDJDOUUUOIGZKM-QIESTXEWSA-N 251.355 0.878 50 50 CCGA O=C(NNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21)c1cccs1 1875271274 KVHWHRCVLYPGSY-BIIVNPBRSA-N 278.333 0.933 50 50 CCGA CC(C)(C)OC(=O)N1CCOC[C@@H](NC(=O)CCl)C1 1875368026 JJGLGZIDPKBNKW-VIFPVBQESA-N 292.763 0.977 50 50 CCGA Cc1cc(C(=O)NNC(=O)[C@H]2CCc3cccnc32)no1 2325786619 IBKDDXCQIMBERY-JTQLQIEISA-N 286.291 0.869 50 50 CCGA N#Cc1ccc(OCC(=O)NNC(=O)CCl)cc1 665887154 VMYKZUHQOKBUCO-UHFFFAOYSA-N 267.672 0.323 50 50 CCGA NC(=O)C1CC2(C1)C[C@H](NC(=O)CCl)CCS2 1875367636 YTEVTFAGHPSNBB-JKDSDDBFSA-N 276.789 0.871 50 50 CCGA O=C(CCl)N1C[C@H](O)C[C@H]1c1nc(C2CC2)no1 1875378057 UYTQUBOXIZTHLY-SFYZADRCSA-N 271.704 0.820 50 50 CCGA COc1ccccc1COc1ccccc1B(O)O 169877323 ITEPOAZWOBVBEG-UHFFFAOYSA-N 258.082 0.954 50 50 CCGA in-vitro C[C@H]1C[C@@H](NC(=O)CCl)C(=O)N1c1cnn(C)c1 1323269023 ITLZGOCOLTZXIH-IONNQARKSA-N 270.720 0.269 50 50 CCGA CCOc1cc(Br)cc(F)c1B(O)O 169902026 QIAHCZUMIHBXQO-UHFFFAOYSA-N 262.871 0.667 50 50 CCGA Cn1nnc(=NS(=O)(=O)c2ccc(CCl)cc2)[nH]1 385443713 BWDJHTVMCLXOIK-UHFFFAOYSA-N 287.732 0.172 50 50 CCGA NNC(=O)c1cc(-c2ccc3c(c2)OCCO3)on1 25758095 CXPJAJOMIBONBP-UHFFFAOYSA-N 261.237 0.716 50 50 CCGA CCc1ccc2c(c1)/C(=N/NC(=O)COC)C(=O)N2 439500 FWYXULDGKLCSJF-UHFFFAOYSA-N 261.281 0.668 50 50 CCGA Cc1cccc(NS(=O)(=O)c2cccc(B(O)O)c2)c1 169744154 JATJSZDSJXABIZ-UHFFFAOYSA-N 291.137 0.476 50 50 CCGA O=C(NCc1cccs1)c1ccc(B(O)O)cc1 1618276354 NOPRZKVMGDJBDW-UHFFFAOYSA-N 261.111 0.358 50 50 CCGA CN(C)c1oc(/C=N/NC(=O)c2ccncc2)nc1C#N 1857799131 OSXHMEMBBZIYEN-LZYBPNLTSA-N 284.279 0.771 50 50 CCGA NC(=O)NNC(=O)C(=O)Nc1cc(Cl)ccc1Cl 6862919 LOFNFTQVDDRCHU-UHFFFAOYSA-N 291.094 0.631 50 50 CCGA COC(=O)c1ccc(-c2ccc(B(O)O)cc2)cc1 196398535 OBHWJBMJYPCGPE-UHFFFAOYSA-N 256.066 0.820 50 50 CCGA in-vitro O=C(NCc1ccccc1)c1ccc(B(O)O)c(F)c1 169744475 QBFAVXFPISPUNY-UHFFFAOYSA-N 273.072 0.436 50 50 CCGA CN(C)c1cc(C(=O)NNc2nnc[nH]2)cc(Cl)n1 242001060 VCOGZTNCSZQCEX-UHFFFAOYSA-N 281.707 0.676 50 50 CCGA CCCCN(C)C(=O)c1ccc(B(O)O)c(Cl)c1 169744293 CFLJRJGJRXGFID-UHFFFAOYSA-N 269.537 0.892 50 50 CCGA NNC(=O)c1cn2cc(Br)ccc2n1 82694703 GTCANPWWELAJSG-UHFFFAOYSA-N 255.075 0.700 50 50 CCGA COCn1ccnc1[P@](=O)(O)c1ccccc1 97976845 KTQMQUFBEDCFAE-UHFFFAOYSA-N 252.210 0.708 50 50 CCGA O=C1CC[C@H]2CN1C[C@H](CI)O2 1536219927 YBDXSAYPXIZUEM-BQBZGAKWSA-N 281.093 0.811 50 50 CCGA CC(=O)NNC(=O)c1c(O)[nH]c2ccccc2c1=O 18324484 KUTKWFLIABKNBZ-UHFFFAOYSA-N 261.237 0.015 50 50 CCGA CC(C)(C)OC(=O)n1cc(B(O)O)c(C2CC2)n1 261494135 QRHAFKZWQHMFLJ-UHFFFAOYSA-N 252.079 0.224 50 50 CCGA C[C@@H](Cl)C(=O)N1C[C@H](c2cnn(C)c2)[C@@H](C(N)=O)C1 1875376003 LPKYISXOQBFYTO-QNSHHTMESA-N 284.747 0.075 50 50 CCGA C[C@@H](Cl)C(=O)N[C@@H]1CCC(=O)N[C@H]1c1ccnn1C 1875380662 VQGMZMYODAJOGE-SOCHQFKDSA-N 284.747 0.483 50 50 CCGA O=C(NCc1ccccc1)c1cc(B(O)O)ccc1F 169745395 UQDRNEMSUVDKAT-UHFFFAOYSA-N 273.072 0.436 50 50 CCGA in-vitro C[C@@H]1CCCCN1C(=O)c1cc(F)cc(B(O)O)c1 169744370 FOZKXTAGQOGLLH-SECBINFHSA-N 265.093 0.520 50 50 CCGA CCCCN1C(=O)[C@@H]2CC/C(=N/NC(N)=O)C[C@H]2C1=O 103088117 PTNCTRNBOHXHJV-VVWQTCAUSA-N 280.328 0.596 50 50 CCGA CC(C)(C)c1cc(C(=O)NN)cc(C(=O)NN)c1 21004572 LXNFFHDNNMXATM-UHFFFAOYSA-N 250.302 0.191 50 50 CCGA O=C(CO)N/N=C/c1ccc(Br)cc1 281515 OWZNYGWGUZNMFX-VZUCSPMQSA-N 257.087 0.892 50 50 CCGA O=C(CCl)NC[C@@H]1CS(=O)(=O)c2ccccc21 1875367844 RVEZFTJQMMEYOQ-MRVPVSSYSA-N 273.741 0.913 50 50 CCGA CC(C)(C)OC(=O)Nc1ccc(B(O)O)cc1F 169746841 KZDXWWVPJSNDSD-UHFFFAOYSA-N 255.054 0.853 50 50 CCGA in-vitro CN(C)c1noc(CCNC(=O)[C@@H](F)Cl)n1 2325898403 ARRZKDSNLHNNSC-ZCFIWIBFSA-N 250.661 0.329 50 50 CCGA O=C(N[C@H]1CC(=O)N(CC(F)(F)F)C1)[C@@H](F)Cl 2325898595 NCWMLPUAYNKUOY-UJURSFKZSA-N 276.617 0.800 50 50 CCGA COCOc1ccc(Br)c(F)c1B(O)O 170002704 ZMJUSBMSTFSKAU-UHFFFAOYSA-N 278.870 0.251 50 50 CCGA CNC(=S)NNC(=O)COc1cccc(C)c1C 8682462 YRCCSLFBBKQNKB-UHFFFAOYSA-N 267.354 0.807 50 50 CCGA Cc1nc([C@@H]2COCCN2C(=O)[C@@H](C)Cl)no1 1875380306 LGLNYYNRHDYUHP-SVRRBLITSA-N 259.693 0.905 50 50 CCGA Cc1ocnc1C(=O)NNC(=O)C1CCSCC1 2325783556 GKRCVYPZBXEBGH-UHFFFAOYSA-N 269.326 0.887 50 50 CCGA COC(OC)c1ccc(B(O)O)c(Cl)c1Cl 242649036 RSFWGOSGFOXJIJ-UHFFFAOYSA-N 264.901 0.965 50 50 CCGA O=C(c1cc(Cl)cc(B(O)O)c1)N1CCCCC1 169746625 YDTRQMGRXMDOJG-UHFFFAOYSA-N 267.521 0.646 50 50 CCGA in-vitro O=C(CCl)Nc1nonc1NC(=O)CCl 1060537 GCUTXDUNVVYCKK-UHFFFAOYSA-N 253.045 0.424 50 50 CCGA OB(O)c1ccc(OCCN2CCCCCC2)cc1 197917815 JDKVNWMFHCBGSA-UHFFFAOYSA-N 263.146 0.621 50 50 CCGA COCCNC(=S)NNC(=O)c1ccccc1[N+](=O)[O-] 2857367 MMNCWYGQPUZLBL-UHFFFAOYSA-N 298.324 0.350 50 50 CCGA NNC(=O)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1 375610 OXNHMUWLDLXYPM-UHFFFAOYSA-N 261.241 0.443 50 50 CCGA CCOC1CC(c2nc(-c3cccc(B(O)O)c3)no2)C1 585052390 LAZRTSWLPFXXTL-UHFFFAOYSA-N 288.112 0.699 50 50 CCGA CCN(CC)C(=O)C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1 2892261 PVPRHMSRPIYKEJ-NTEUORMPSA-N 292.295 0.913 50 50 CCGA O=C1c2ccccc2C(=O)N1Cc1cccc(B(O)O)c1 230543845 WRSBMRWOQUJLCY-UHFFFAOYSA-N 281.076 0.163 50 50 CCGA O=C(NCc1cccc(B(O)O)c1)c1cccs1 405057377 MQVOOYBANAYJJB-UHFFFAOYSA-N 261.111 0.358 50 50 CCGA COc1ccc(OC)c(NC(=O)NNC(N)=S)c1 2154893 DWVBFZQFPWSWRQ-UHFFFAOYSA-N 270.314 0.574 50 50 CCGA C[C@H](Cl)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C 1875364372 LZXLRSBTJHXXMY-LURJTMIESA-N 296.714 0.198 50 50 CCGA CCCNC(=O)C(=O)N/N=C/c1ccccc1F 2893194 LGQFRBBQENYDLW-OVCLIPMQSA-N 251.261 0.802 50 50 CCGA CC(C)(C)COS(=O)(=O)c1cccc(B(O)O)c1 169904084 DSIKBUNPVSSUEU-UHFFFAOYSA-N 272.131 0.118 50 50 CCGA CN(CCc1ccc(B(O)O)cc1)C(=O)OC(C)(C)C 170002617 SHIGSPOXCDMZRV-UHFFFAOYSA-N 279.145 0.776 50 50 CCGA O=C(CCl)NC[C@@H](N1CCOCC1)C(F)(F)F 1875377915 RFGXUOXEOHIPOY-SSDOTTSWSA-N 274.670 0.605 50 50 CCGA O=C(OCc1ccccc1)c1ccc(B(O)O)cc1 169744917 UXSDJFGNRVVDFM-UHFFFAOYSA-N 256.066 0.723 50 50 CCGA in-vitro COc1ccc2nnc(CNC(=O)[C@H](C)Cl)n2n1 1875377235 AYQBXEDSBSVFGF-LURJTMIESA-N 269.692 0.376 50 50 CCGA Cc1c(Cl)cccc1N/N=C(\C#N)C(=O)NN 333095 LSYQJLYTCLSCFI-CXUHLZMHSA-N 251.677 0.930 50 50 CCGA Cc1nonc1CC(=O)NN=c1[nH]nc(C2CC2)s1 2325755326 QRNFJHNTPHWLBM-UHFFFAOYSA-N 280.313 0.215 50 50 CCGA CC(C)OC(=O)/C(C#N)=C/c1c(C(=O)O)cnn1C 864086635 HJAJDNZNSGRXFE-XBXARRHUSA-N 263.253 0.977 50 50 CCGA O=C(O)CCC(=O)NNC(=O)[C@@H]1C[C@H]1c1ccccc1 2913646 STVUMTXFVQYPMH-WDEREUQCSA-N 276.292 0.802 50 50 CCGA CCSc1ncc(C(F)(F)F)cc1B(O)O 169933831 CAMZNTNANGCVOZ-UHFFFAOYSA-N 251.038 0.892 50 50 CCGA in-vitro CC(C)(C)OC(=O)NCCc1ccccc1B(O)O 169916949 VATBDRHZJVKERT-UHFFFAOYSA-N 265.118 0.434 50 50 CCGA O=C(Nc1cccc(B(O)O)c1F)C(F)(F)F 217044686 CBALCADDVWOFRO-UHFFFAOYSA-N 250.944 0.006 50 50 CCGA C[C@H](Cl)C(=O)N1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 1875366993 FIWLDAULTCWMEV-BIIVOSGPSA-N 251.735 0.259 50 50 CCGA O=C(NCc1ccccc1)c1ccc(B(O)O)cc1Cl 169743979 KPMFJSKLOSUPQR-UHFFFAOYSA-N 289.527 0.950 50 50 CCGA in-vitro COc1ccc(Br)c(B(O)O)c1Cl 169747996 YITPGJUOVXQLPQ-UHFFFAOYSA-N 265.299 0.791 50 50 CCGA CC(C)(CNC(=O)CCl)[C@@H]1COCC12OCCO2 1875378201 XEBHNIHCKUNKPE-VIFPVBQESA-N 277.748 0.757 50 50 CCGA Cc1occc1C(=O)NNC(=S)NC[C@H]1CCCO1 612342 HSAFEPHNOPEDDG-SECBINFHSA-N 283.353 0.876 50 50 CCGA Cc1noc([C@]2(O)CCN(C(=O)[C@H](C)Cl)C2)n1 1875380020 CFEIUVSXKXGQLJ-WKEGUHRASA-N 259.693 0.425 50 50 CCGA C[C@H](Cl)C(=O)NCc1cc(=O)n2ccccc2n1 1875377507 FZSSIGYTXRCWIP-QMMMGPOBSA-N 265.700 0.938 50 50 CCGA CC1=NNC(=O)[C@@H]1CCC(=O)N/N=C/c1ccccn1 100557132 ZWIYJIPBNBXWJR-OXFWXOROSA-N 273.296 0.434 50 50 CCGA C[C@@H]1C[C@@]2(C(=O)NNC(=O)c3cnsn3)C[C@@H]12 2325781220 YROQVHULFQPTLJ-GOZTUDAPSA-N 252.299 0.345 50 50 CCGA CS(=O)(=O)NNC(=O)[C@H]1C[C@@H]1c1ccccc1 256241 ANXOSWKWMWSEHD-ZJUUUORDSA-N 254.311 0.371 50 50 CCGA N#CC1=C(N)Oc2nc[nH]c(=O)c2[C@H]1c1ccncc1 8885092 LFGGQKQJOMHPSX-VIFPVBQESA-N 267.248 0.383 50 50 CCGA O=C(NC1CCCCC1)c1cc(B(O)O)cc([N+](=O)[O-])c1 169745681 QWXJHAUEXFJACW-UHFFFAOYSA-N 292.100 0.337 50 50 CCGA in-vitro O=C1NCCC[C@@H]1C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1 225478 RODRKWNQFQTKOE-UXYFDLPDSA-N 290.279 0.571 50 50 CCGA C[C@H](Cl)C(=O)N1C[C@@H](C)[C@H](C(=O)N2CCOCC2)C1 1875380431 OTJHURAZPPZSJL-OUAUKWLOSA-N 288.775 0.567 50 50 CCGA O=C(Nc1ccccc1)c1cc(B(O)O)ccc1F 169745470 KHFWXFSYCGFPGR-UHFFFAOYSA-N 259.045 0.758 50 50 CCGA in-vitro COc1cccc(/C=N/NC(=O)c2nonc2N)c1 436361 KNHYREFFRMQOPR-AWNIVKPZSA-N 261.241 0.424 50 50 CCGA O=C(N[C@@H]1CCc2ncccc2C1)c1cccc(B(O)O)c1 1615586249 LJIHILRYAIEMFJ-CQSZACIVSA-N 296.135 0.049 50 50 CCGA COC(=O)c1cc(B(O)O)c(F)cc1Br 1772572528 UALLVIMCMIUYCP-UHFFFAOYSA-N 276.854 0.055 50 50 CCGA CC(=O)O[C@H]1[C@H](OC(C)=O)CO[C@@H](Cl)[C@@H]1OC(C)=O 17020443 JWDUFIUUDGFMTM-LMLFDSFASA-N 294.687 0.377 50 50 CCGA CCN(CC)C(=O)C(=O)N/N=C/c1ccc(C(=O)O)cc1 2892327 GOKFBAGKCYAQDM-OQLLNIDSSA-N 291.307 0.703 50 50 CCGA CCOC(=O)C[C@@H](O)CI 2581360 SMWBHOKQXGBYJN-RXMQYKEDSA-N 258.055 0.736 50 50 CCGA O=C(O)c1ccc(/C=N\NC(=O)c2cnccn2)cc1 32617946 DYKKGAYYRDYJFE-APSNUPSMSA-N 270.248 0.939 50 50 CCGA O=C(NCc1ccccc1F)c1cc(B(O)O)ccc1F 169744404 LHIJZZNKYSPABS-UHFFFAOYSA-N 291.062 0.575 50 50 CCGA C[C@@H](Cl)C(=O)NC[C@H]1CN(c2nncs2)CCO1 1875376128 MWNDJBKAFBSIOD-SFYZADRCSA-N 290.776 0.487 50 50 CCGA CCCC(=O)NNC(=O)[C@@H]1C(=O)Nc2ccccc2C1=O 205747788 BWNAZBRASCLECC-NSHDSACASA-N 289.291 0.385 50 50 CCGA N#CSCCCNC(=O)[C@H]1CCCCC(=O)N1 408523195 PQPKSBRTYDCQGW-SECBINFHSA-N 255.343 0.766 50 50 CCGA C[C@H]1CC[C@H](C)N(C(=O)c2cccc(B(O)O)c2)C1 584954497 LMLHRLARKDSXPD-QWRGUYRKSA-N 261.130 0.627 50 50 CCGA CC(C)(C)COC(=O)c1ccc(B(O)O)c(F)c1 169744622 GETQNYVZDXIJFD-UHFFFAOYSA-N 254.066 0.708 50 50 CCGA O=C(O)CC/C(=N/NC(=O)c1ccncc1)C(=O)O 4517580 CCBSJXHUMYNUKH-JYRVWZFOSA-N 265.225 0.117 50 50 CCGA C=CC(=O)NCCSSCCNC(=O)C=C 1574130 DJVKJGIZQFBFGS-UHFFFAOYSA-N 260.384 0.972 50 50 CCGA in-vitro CCOC(=O)[C@@]12C=C[C@@H](CC1)[C@@H]1C(=O)OC(=O)[C@H]12 239433946 YUHKVFTVEJNHJO-YFBYITSOSA-N 250.250 0.832 50 50 CCGA O=C(CCl)NC[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1875367755 JXWIHJFRMWRRDG-VHSXEESVSA-N 294.804 0.546 50 50 CCGA CN(C(=O)CCl)[C@@H]1COC[C@@H]1Oc1cnn(C)c1 1875377949 RZOJBSPKMFOBOU-ZJUUUORDSA-N 273.720 0.264 50 50 CCGA O=C(N[C@H]1CCc2ncccc2C1)c1cccc(B(O)O)c1 1615586244 LJIHILRYAIEMFJ-AWEZNQCLSA-N 296.135 0.049 50 50 CCGA CC(C)(C)COS(=O)(=O)c1ccc(B(O)O)cc1 169745348 HDSWCPUGAFITCT-UHFFFAOYSA-N 272.131 0.118 50 50 CCGA NNC(=O)COc1ccc(I)cc1 276167 JVPIBNSQLXEVSR-UHFFFAOYSA-N 292.076 0.660 50 50 CCGA C=CCNC(=S)NNC(=O)c1cccc(OC)c1 3209139 AXOZPABCKRRCKU-UHFFFAOYSA-N 265.338 0.990 50 50 CCGA Cn1nc(C2CC2)cc1C(=O)NNC(=O)c1ccco1 2325763482 WGNQGUMOPTYTDC-UHFFFAOYSA-N 274.280 0.965 50 50 CCGA Cn1c(=O)n(CCCl)c(=O)c2c1nc1n2CCS1 40084 CBHAZGVCWBLGGW-UHFFFAOYSA-N 286.744 0.241 50 50 CCGA CC(C)(C)OC(=O)N1CCOC[C@H](NC(=O)CCl)C1 1875368025 JJGLGZIDPKBNKW-SECBINFHSA-N 292.763 0.977 50 50 CCGA CC(C)(C)NC(=O)c1ccc(Cl)c(B(O)O)c1 169744353 FOSNNRMODPCLHJ-UHFFFAOYSA-N 255.510 0.548 50 50 CCGA O=C(Nc1ccccc1)c1cc(B(O)O)cc([N+](=O)[O-])c1 169745459 MBBBPOZKRURPLD-UHFFFAOYSA-N 286.052 0.527 50 50 CCGA COC(=O)[C@]12C[C@H]([C@@H]3C(=O)OC(=O)[C@@H]31)[C@@H]1C=CC=C[C@@H]12 216549080 HCBQGDAJLBYALR-UBNHCWFFSA-N 274.272 0.854 50 50 CCGA Cc1ccc2c(cnn2[C@H]2CCCCO2)c1B(O)O 575631060 NZYJBZOXEHVCHI-GFCCVEGCSA-N 260.102 0.724 50 50 CCGA C=CCNC(=O)C(=O)N/N=C/c1cccc(OC)c1OC 2901327 ARCQLLFVPASCEA-CXUHLZMHSA-N 291.307 0.456 50 50 CCGA COCCNC(=S)NNC(=O)c1cccs1 13518980 IHSKLDBQBWBVIH-UHFFFAOYSA-N 259.356 0.503 50 50 CCGA CN(C)CCCOc1ccc(B(O)O)cc1Cl 230557597 IPYZSSZIZVPAPH-UHFFFAOYSA-N 257.526 0.350 50 50 CCGA N#C/C(N)=C(/C#N)N=Cc1cc2c(cc1[N+](=O)[O-])OCO2 252463567 DDXICRIRDVJOPD-XVZYWMTOSA-N 285.219 0.960 50 50 CCGA CCOC(=O)[C@H](N)CSSC[C@H](N)C(=O)OCC 1604826 CIKFAVCRANPUES-OCAPTIKFSA-N 296.414 0.149 50 50 CCGA O=C(O)c1cnc(NS(=O)(=O)CCCl)s1 725256374 HZFHVAXKRQOIKI-UHFFFAOYSA-N 270.719 0.822 50 50 CCGA COc1cc(NC(=O)CCl)ccc1-n1cnnn1 665887172 WHTNYYZAGJLSOV-UHFFFAOYSA-N 267.676 0.848 50 50 CCGA CCn1cc([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H](C)Cl)cn1 1875380015 CCAOCADIUCSQFM-XRNSZHNASA-N 298.774 0.966 50 50 CCGA OCCOCCOCCOCCBr 79016622 CERQCRALBKUCTF-UHFFFAOYSA-N 257.124 0.423 50 50 CCGA in-vitro O=[N+]([O-])c1cc(NCc2ccccc2)cc(B(O)O)c1 169745358 DEBSCSOXTAZVOP-UHFFFAOYSA-N 272.069 0.887 50 50 CCGA in-vitro C[C@@H](O)CCC(=O)N/N=C/c1cc([N+](=O)[O-])ccc1O 35327790 BOQJUSPERKEWRU-OREIZAMCSA-N 281.268 0.912 50 50 CCGA O=Cc1ccc(B(O)O)cc1OCc1ccccc1 1911936392 APMKPYLKWZTWKX-UHFFFAOYSA-N 256.066 0.758 50 50 CCGA NNC(=O)COc1ccc(Br)cc1F 37387974 UHONXNKLNXDRON-UHFFFAOYSA-N 263.066 0.957 50 50 CCGA OB(O)c1scc(Br)c1Br 169794618 SBHPDGZYCBOUHR-UHFFFAOYSA-N 285.753 0.953 50 50 CCGA C[C@@H]1CCCCN1C(=O)c1cc(B(O)O)ccc1F 169744114 OAIXSFCCIQOGKW-SECBINFHSA-N 265.093 0.520 50 50 CCGA CC1=NNC(=O)[C@H]1CCC(=O)N/N=C/c1ccncc1 100557146 PEGIPEZNCTVNIJ-UXYFDLPDSA-N 273.296 0.434 50 50 CCGA CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)[C@@H](C)Cl)C1 1875364479 RXQVTMQWQJNCSW-RKDXNWHRSA-N 282.793 0.542 50 50 CCGA N#CC1=C(N)Oc2nc[nH]c(=O)c2[C@@H]1c1ccncc1 8885093 LFGGQKQJOMHPSX-SECBINFHSA-N 267.248 0.383 50 50 CCGA Cc1nnc(-c2ccc3cc(B(O)O)ccc3c2)o1 170002117 XPVHJQCWMBRNNC-UHFFFAOYSA-N 254.054 0.878 50 50 CCGA CC(C)N1CCN2C(=O)[C@H](NC(=O)CCl)C[C@H]2C1 1875374926 JXROWBJGGPGQCV-VHSXEESVSA-N 273.764 0.035 50 50 CCGA OB(O)c1cc2nnn(Cc3ccccc3)c2cc1F 170002183 IXUTVJRFSXXKOF-UHFFFAOYSA-N 271.060 0.299 50 50 CCGA NNC(=O)c1sc2ccccc2c1S(N)(=O)=O 71782443 OOFCKMCYJYTJMP-UHFFFAOYSA-N 271.323 0.152 50 50 CCGA COc1cccc2c(=O)cc(C)n(CC(=O)NN)c12 40175688 BEUAIAFBMKYVRI-UHFFFAOYSA-N 261.281 0.308 50 50 CCGA CC[C@H](C)C(=O)N[C@@H]1CS(=O)(=O)C[C@H]1Cl 238901362 LPTMDSYLRLZOTE-XLPZGREQSA-N 253.751 0.553 50 50 CCGA O=C(NNC(=O)N1CCOCC1)c1cc2c(o1)CCCC2 1348725338 FXHQYQRECCDTST-UHFFFAOYSA-N 293.323 0.845 50 50 CCGA Cc1cc(C(=O)NNC(=S)NC[C@@H]2CCCO2)no1 609215 ICTMTZHFUNRQSA-QMMMGPOBSA-N 284.341 0.271 50 50 CCGA COC(=O)N/N=C/c1cn(O)c2ccccc2[n+]1=O 334163678 SJMWOKRKQLJMDH-WUXMJOGZSA-O 263.233 0.483 50 50 CCGA endogenous,in-man CN1CCN(CCC(=O)N/N=C/c2cccc(O)c2)CC1 19535931 FUZNIVLUXDXCIT-FOWTUZBSSA-N 290.367 0.480 50 50 CCGA CN(C(=O)c1cc(F)cc(B(O)O)c1)C1CCCCC1 169744108 DIYCTAMRGGXLGV-UHFFFAOYSA-N 279.120 0.910 50 50 CCGA C[C@@H]1CCCN(C(=O)c2cccc(B(O)O)c2F)C1 169744688 GEVKMKYDCVLEAB-SECBINFHSA-N 265.093 0.378 50 50 CCGA CCN(CC)C(=O)c1ccc(Cl)c(B(O)O)c1 169744144 BOSUUKCAOPRZFQ-UHFFFAOYSA-N 255.510 0.502 50 50 CCGA COc1ccc(NC(=O)OC(C)(C)C)cc1B(O)O 390824605 OGPGDUGPIPUKKR-UHFFFAOYSA-N 267.090 0.722 50 50 CCGA O=C1Nc2ccccc2/C1=N\NC(=O)C1CCNCC1 4947829 RMANPUURYYEHRC-UHFFFAOYSA-N 272.308 0.459 50 50 CCGA CC(C)(C)OC(=O)Nc1ccc(B(O)O)c(F)c1 170002683 DAISURXDKVZMGH-UHFFFAOYSA-N 255.054 0.853 50 50 CCGA C[C@@H](Cl)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C 1875364373 LZXLRSBTJHXXMY-ZCFIWIBFSA-N 296.714 0.198 50 50 CCGA Cc1ccc(C(=O)CC(=O)C(=O)NNC(N)=S)cc1 1875390504 QBNUTKDUATXHKX-UHFFFAOYSA-N 279.321 0.001 50 50 CCGA OB(O)c1cc(Br)ncc1Br 169747874 GIYVWMBVVVLFIG-UHFFFAOYSA-N 280.712 0.286 50 50 CCGA in-vitro O=C(O)CCCC(=O)NNC(=O)Cc1ccccc1 2942772 KRCYPLQUKWQUNF-UHFFFAOYSA-N 264.281 0.631 50 50 CCGA O=C(Nc1cccc(F)c1)c1cccc(B(O)O)c1F 169744715 JBLHLDODFSYRIN-UHFFFAOYSA-N 277.035 0.897 50 50 CCGA NNC(=O)CCN1CCN(c2ccc(Cl)cc2)CC1 16671584 CYSKDTYLLSVIRF-UHFFFAOYSA-N 282.775 0.842 50 50 CCGA O=C(CO)N/N=C/c1cccc(Br)c1 438209 UAVSSEFGJAGEDI-VZUCSPMQSA-N 257.087 0.892 50 50 CCGA CCCN(CCC)S(=O)(=O)c1ccc(B(O)O)cc1 169744235 RHYMWEFBJFHCGY-UHFFFAOYSA-N 285.174 0.177 50 50 CCGA O=S(=O)(Nc1ccccc1)c1cccc(B(O)O)c1 169744310 SPCPUZDVDUTVFG-UHFFFAOYSA-N 277.110 0.167 50 50 CCGA C[C@H](C(=O)NN)n1cnc2sc3c(c2c1=O)CCCC3 150424 CHBGJFVSPYVEFD-SSDOTTSWSA-N 292.364 0.888 50 50 CCGA O=C(Nc1ccc(F)cc1)c1ccc(F)c(B(O)O)c1 169744037 ZRGBFYLHILWPNW-UHFFFAOYSA-N 277.035 0.897 50 50 CCGA O=C(O)[C@H](Br)[C@H](Br)C(=O)O 1577079 FJWGRXKOBIVTFA-XIXRPRMCSA-N 275.880 0.683 50 50 CCGA in-vitro C/C(=N\NC(N)=O)c1c(O)c2ccccc2oc1=O 5685614 SAAMFMGPFGYKLP-MKMNVTDBSA-N 261.237 0.891 50 50 CCGA CCCCN(C)C(=O)c1ccc(Cl)c(B(O)O)c1 169744356 VBQFOMFABXRFDG-UHFFFAOYSA-N 269.537 0.892 50 50 CCGA CC(C)Oc1c(Br)cccc1B(O)O 169877064 FKHTXEIXJGJOCH-UHFFFAOYSA-N 258.908 0.916 50 50 CCGA Cc1occc1C(=O)NNC(=S)NC[C@@H]1CCCO1 612343 HSAFEPHNOPEDDG-VIFPVBQESA-N 283.353 0.876 50 50 CCGA C=CCNC(=O)C(=O)N/N=C/c1cccc(OC)c1 2892179 HVOQLWWTKROKSH-OQLLNIDSSA-N 261.281 0.448 50 50 CCGA O=C(NNC(=O)[C@H]1CCCO1)c1ccc(F)cc1 247537 ICGMBLPCUAZZDI-SNVBAGLBSA-N 252.245 0.766 50 50 CCGA Cc1ccc(B(O)O)cc1S(=O)(=O)N1CCC(C)CC1 230537402 IXUMTNJPHWGBKK-UHFFFAOYSA-N 297.185 0.095 50 50 CCGA C[C@@H](Cl)C(=O)N1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 1875366994 FIWLDAULTCWMEV-GJMOJQLCSA-N 251.735 0.259 50 50 CCGA C/C(Cn1nnc([N+](=O)[O-])n1)=N\NC(=O)c1ccccc1 12343229 UCZVLSGDJLKVBH-XYOKQWHBSA-N 289.255 0.387 50 50 CCGA NNC(=O)c1sc2ccc([N+](=O)[O-])cc2c1N 9482583 WZYXPAJZCKGLJP-UHFFFAOYSA-N 252.255 0.995 50 50 CCGA O=C(NCc1nnc(N2CCCC2)o1)[C@H](F)Cl 2325898444 CLPDIJGWHYSFOU-ZETCQYMHSA-N 262.672 0.820 50 50 CCGA CS(=O)(=O)c1cc(C(=O)Cl)cc(S(C)(=O)=O)c1 1529128 HVFOLOQLYMETFF-UHFFFAOYSA-N 296.753 0.873 50 50 CCGA OB(O)c1cc(Br)cc(N2CCCC2)c1 169934662 IDBGWBMXFPQRRD-UHFFFAOYSA-N 269.935 0.729 50 50 CCGA in-vitro O=C(Nc1ccc(F)cc1)c1cc(B(O)O)ccc1F 169744182 KKBZXBGONBGNMX-UHFFFAOYSA-N 277.035 0.897 50 50 CCGA O=C(N/N=C/c1ccc(O)cc1)c1ccc(O)nn1 237819 COJZUWWLDLPRSF-NTUHNPAUSA-N 258.237 0.652 50 50 CCGA CS(=O)(=O)NNC(=O)c1cccc(Br)c1 3160928 JUXNMJZJSCINHP-UHFFFAOYSA-N 293.142 0.643 50 50 CCGA O=C(CCl)NNC(=O)c1cccc([N+](=O)[O-])c1 165851 NKMWKOXDTKJWLV-UHFFFAOYSA-N 257.633 0.595 50 50 CCGA COCCCNC(=S)NNC(=O)OC(C)(C)C 2851687 UXWFFCGNNAAFMD-UHFFFAOYSA-N 263.363 0.927 50 50 CCGA CC1=NNC(=O)[C@H]1CC(=O)N/N=C/c1ccccc1O 100609580 LWDGRIUOFRARSZ-UQDQQJHMSA-N 274.280 0.354 50 50 CCGA O=C(N/N=C\c1ccc(O)cc1)c1ccc(O)nn1 32614467 COJZUWWLDLPRSF-QPEQYQDCSA-N 258.237 0.652 50 50 CCGA CCC(=O)Nc1cccc(C(=O)N2CC[C@H](B(O)O)C2)c1 585076052 KROXUXLEGPSPNF-NSHDSACASA-N 290.128 0.724 50 50 CCGA C[C@@]1(C(=O)NN)CC1(Br)Br 2750124 PQSDXYDHMNMBFU-BYPYZUCNSA-N 271.940 0.872 50 50 CCGA OB(O)c1ccc(OCCCNC2CC2)c(Cl)c1 230552250 OQXVBJATEULLPT-UHFFFAOYSA-N 269.537 0.541 50 50 CCGA CCOCCCNC(=O)c1ccc(B(O)O)c(Cl)c1 169744319 MMQPHROVHKQSRM-UHFFFAOYSA-N 285.536 0.176 50 50 CCGA CNC(=S)NNC(=O)c1cc(OC)c(OC)c(OC)c1 377307 KJKJGWKTRVQZSC-UHFFFAOYSA-N 299.352 0.451 50 50 CCGA CC(C)(C)OC(=O)Nc1cc(B(O)O)ccc1F 217045054 PPCCJWGXGNNJOM-UHFFFAOYSA-N 255.054 0.853 50 50 CCGA CC(C)(C)OC(=O)Nc1ccc(B(O)O)c(F)c1F 390823939 HGDZUXSJHQNHHO-UHFFFAOYSA-N 273.044 0.992 50 50 CCGA N#CC(C#N)=C(N)c1nnn2c1nc(N)c1ccccc12 1775971668 YATGIIBHJSYHRE-UHFFFAOYSA-N 276.263 0.577 50 50 CCGA N#C/C(=C\c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(N)=O 4542404 NKFZBJVISZLUOP-XVNBXDOJSA-N 262.181 0.895 50 50 CCGA CCOC(=O)NNc1ccc(N(CC)C[C@@H](C)O)nn1 113 QLTVVOATEHFXLT-SECBINFHSA-N 283.332 0.757 50 50 CCGA world C[C@H]1CCCN(C(=O)c2ccc(B(O)O)c(F)c2)C1 169744485 VLCUGQDFFSSWPL-VIFPVBQESA-N 265.093 0.378 50 50 CCGA O=C(COc1ccccc1)NNC(=O)c1cccnc1 123607 MXFPASGNADDRRG-UHFFFAOYSA-N 271.276 0.922 50 50 CCGA C[C@H](Cl)C(=O)NC[C@@]1(CO)COCC2(CCC2)N1C 1875366835 JIWOWSUMCLJDHW-GXFFZTMASA-N 290.791 0.346 50 50 CCGA CC1=C(C(=O)NN)[C@@H](c2ccc(F)cc2)NC(=O)N1 12416484 UTCSIFQGIGROEH-SNVBAGLBSA-N 264.260 0.444 50 50 CCGA CC(C)(C)OC(=O)N1CC(O)(CNC(=O)CCl)C1 1565505035 YUMWEQOZJQFDGI-UHFFFAOYSA-N 278.736 0.323 50 50 CCGA C[C@@H](NC(=O)[C@H](F)Cl)c1nnc2n1CCOC2 2325901524 JPHFSYNOPVKFRF-VDTYLAMSSA-N 262.672 0.520 50 50 CCGA COC(=O)CCC(=O)NNC(=O)c1ccccc1[N+](=O)[O-] 2937695 ANXVLLGCTMIGMC-UHFFFAOYSA-N 295.251 0.309 50 50 CCGA C[C@@H]1CCCN(C(=O)c2cc(F)cc(B(O)O)c2)C1 169744049 FOANTVUZCCHRID-SECBINFHSA-N 265.093 0.378 50 50 CCGA COC(=O)CCC(=O)NNC(=O)[C@@H]1C[C@H]1c1ccccc1 2937688 ATBVPXOGJYTRBA-NWDGAFQWSA-N 290.319 0.891 50 50 CCGA C/C(C[C@]1(O)C(=O)Nc2ccccc21)=N\NC(N)=O 22339937 MWQXRZDDPBUXLW-IWTIEGKHSA-N 262.269 0.261 50 50 CCGA CCN(CC)CCCOc1cccc(B(O)O)c1 230525883 QAJMGDFXUWOLEU-UHFFFAOYSA-N 251.135 0.477 50 50 CCGA Cc1cc(CNC(=O)OC(C)(C)C)ccc1B(O)O 1772572534 XQCSHWMLXYPBOR-UHFFFAOYSA-N 265.118 0.700 50 50 CCGA C[C@H](Cn1cnc2c(cnn2C)c1=O)NC(=O)[C@@H](C)Cl 1875364011 HNHKBPNBZTTYIB-HTQZYQBOSA-N 297.746 0.262 50 50 CCGA COC(=O)c1cc(B(O)O)ccc1OC(F)(F)F 170010231 ZTFGWSYWEQYFHB-UHFFFAOYSA-N 263.964 0.052 50 50 CCGA C[C@H]1CCCN(C(=O)c2ccc(B(O)O)cc2F)C1 169744082 UYKCMYLBLGDYES-VIFPVBQESA-N 265.093 0.378 50 50 CCGA O=C(NNC(=S)NC[C@@H]1CCCO1)c1cccnc1 621554 ZNOBXQJYVYJNDJ-JTQLQIEISA-N 280.353 0.370 50 50 CCGA O=C(Nc1ccc(F)c(F)c1)c1cccc(B(O)O)c1 169747478 BNTBFLHBIBBLLS-UHFFFAOYSA-N 277.035 0.897 50 50 CCGA in-vitro CN(C(=O)c1ccc(F)c(B(O)O)c1)C1CCCCC1 169744188 PIAHGOURQDHKCB-UHFFFAOYSA-N 279.120 0.910 50 50 CCGA CC(C)CCCN(C)C(=O)c1ccc(B(O)O)c(C=O)c1 2325873698 QGMPHNRITCOBLM-UHFFFAOYSA-N 291.156 0.687 50 50 CCGA COCC(=O)NNC(=S)N[C@H](C)c1ccccc1 2854000 LRGBSNQICPHWCR-SECBINFHSA-N 267.354 0.889 50 50 CCGA CC(C)C[C@H](NC(=O)[C@@H](C)Cl)C(=O)N=c1cc[nH][nH]1 1875363439 AFWXPZVKPQKLOL-BDAKNGLRSA-N 286.763 0.928 50 50 CCGA C[C@H](NC(=O)c1ccc(Br)cc1)C(=O)NN 375105 BALFLOQITYZTFL-LURJTMIESA-N 286.129 0.557 50 50 CCGA O=C([C@@H]1Cc2cccc(F)c2O1)N1CC[C@@H](B(O)O)C1 585138720 MQJSTOPODVPVEK-KOLCDFICSA-N 279.076 0.205 50 50 CCGA O=C(NNC(=S)NCc1ccco1)c1ccccn1 609730 JBFKVNRSOMWQIE-UHFFFAOYSA-N 276.321 0.984 50 50 CCGA C[C@H](Cl)C(=O)N[C@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 1875378124 VYJVOTHHSOBXLG-QXEWZRGKSA-N 295.788 0.466 50 50 CCGA C[C@@H](Cl)C(=O)NCCS(=O)(=O)Nc1ccccn1 1875364956 ZDWUCTFALGMGOL-MRVPVSSYSA-N 291.760 0.567 50 50 CCGA CC1=NNC(=O)[C@@H]1CCC(=O)N/N=C/c1cccc(O)c1 100576043 UVLHVGHAXLLWKF-AZZDOICSSA-N 288.307 0.744 50 50 CCGA OB(O)c1cc2ncn(Cc3ccccc3)c2cc1F 170002186 PMHYKFABQAYHBW-UHFFFAOYSA-N 270.072 0.904 50 50 CCGA CC(=O)OCC1=C[C@@H]2[C@H]3C=C[C@H]([C@@H]4C(=O)OC(=O)[C@H]43)[C@H]12 254623061 HEPGNZNJPRYADJ-XARVFOJUSA-N 274.272 0.854 50 50 CCGA Cc1cccc(/C=N/NC(=O)CN2CCOCC2)c1O 16134216 PKBLYQGQDCSITM-OQLLNIDSSA-N 277.324 0.483 50 50 CCGA C[C@@H]1CN(C)[C@H](C)[C@H](/C=C(/C#N)C(N)=S)C1=O 33896638 DDJDOUUUOIGZKM-SLTUGOAKSA-N 251.355 0.878 50 50 CCGA CC(C)NS(=O)(=O)c1ccc(B(O)O)c2ccccc12 230553577 PZIPKVBVZZWPNI-UHFFFAOYSA-N 293.153 0.206 50 50 CCGA OB(O)c1ccc(OC(F)(F)F)c2cccnc12 170001930 YHTGGIJQVCHBMO-UHFFFAOYSA-N 256.976 0.813 50 50 CCGA CC(C)(C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NN 169675213 NGZDAAJSYJXBMC-NSHDSACASA-N 279.340 0.456 50 50 CCGA O=C(O)CCC(=O)NNC(=O)CCc1ccccc1 2132920 ALSGYFBQGPQAGW-UHFFFAOYSA-N 264.281 0.631 50 50 CCGA O=C(N/N=C\c1ccccc1)c1nc([N+](=O)[O-])n[nH]1 32678416 OOCQWAMAFVBPQC-WDZFZDKYSA-N 260.213 0.477 50 50 CCGA COc1nc(C(N)=O)ccc1NC(=O)[C@@H](F)Cl 2325898242 YDWOPKWFEZXCSI-ZCFIWIBFSA-N 261.640 0.662 50 50 CCGA O=C(N/N=C/c1cccs1)C(=O)N1CCCC1 2892456 NQYDVCNNQCWHAJ-XYOKQWHBSA-N 251.311 0.821 50 50 CCGA COC(=O)NNC(=O)c1ccc(OC)c(OC)c1 299611 LNWOVXIGWLKNOU-UHFFFAOYSA-N 254.242 0.705 50 50 CCGA COc1ccc(OCC(=O)NNC(=O)C(F)(F)F)cc1 4821214 IZMYJSARDCYJBN-UHFFFAOYSA-N 292.213 0.784 50 50 CCGA C[C@H](Cl)C(=O)N[C@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 1875378121 VYJVOTHHSOBXLG-ATZCPNFKSA-N 295.788 0.466 50 50 CCGA O=C(O)/C=C/C(=O)N/N=C/c1cccc([N+](=O)[O-])c1 2164836 VSMZEPOVOZATTK-RKEQOFPCSA-N 263.209 0.686 50 50 CCGA Cc1ccccc1CNC(=O)c1cccc(B(O)O)c1F 169744704 VWRTZXQHIDWRKI-UHFFFAOYSA-N 287.099 0.744 50 50 CCGA OB(O)c1cc(N2CCCC2)cc(C(F)(F)F)c1 230538116 OYWOIRKOEFRPSC-UHFFFAOYSA-N 259.036 0.985 50 50 CCGA Cc1ccccc1C(=O)NNC(=O)C(=O)NCC(C)C 16512752 SUOWTCPNCAXMLQ-UHFFFAOYSA-N 277.324 0.528 50 50 CCGA Cc1cc(C)c(/C=N/NC(N)=O)c(C)c1/C=N/NC(N)=O 42455 KPFQADIBALKGQQ-MFQOAVFDSA-N 290.327 0.616 50 50 CCGA O=C(NCc1ccc(F)cc1)c1ccc(B(O)O)cc1 1538504100 GHODZRCPFKAHCA-UHFFFAOYSA-N 273.072 0.436 50 50 CCGA COC(=O)C1=C[C@@H]2[C@H]3C=C[C@H]([C@H]4C(=O)OC(=O)[C@H]43)[C@H]12 254708023 RLOCDRQSSNUEDF-NERBKRFESA-N 260.245 0.463 50 50 CCGA NNC(=O)CC[C@@H](NC(=O)OCc1ccccc1)C(=O)O 71772660 OZIDQXSMHCUIEM-SNVBAGLBSA-N 295.295 0.136 50 50 CCGA CNC(=O)N1CCCC[C@H]1CCNC(=O)CCl 1875374210 FRYCMUASDHMRDJ-VIFPVBQESA-N 261.753 0.925 50 50 CCGA OB(O)c1ccc(Cl)cc1OC[C@@H]1CCCCO1 169934774 QENSDXMOEIJQER-JTQLQIEISA-N 270.521 0.968 50 50 CCGA O=c1[nH]cc(N(CCCl)CCCl)c(=O)[nH]1 2235 IDPUKCWIGUEADI-UHFFFAOYSA-N 252.101 0.347 50 50 CCGA world NC(=O)NC(=O)N/N=C/c1ccc2c(c1)OCO2 2392035 SLLXZWHNVRVYEH-UUILKARUSA-N 250.214 0.127 50 50 CCGA O=C(NNC(=O)c1cn(C2CCC2)nn1)c1ccccn1 843748706 BZIJAHHHVALFEN-UHFFFAOYSA-N 286.295 0.473 50 50 CCGA CC(C)(O)C(=O)NNC(=O)c1c(F)ccc2nc[nH]c12 1625362204 JKMAEUQGUPOGKP-UHFFFAOYSA-N 280.259 0.234 50 50 CCGA CC1CCN(C(=O)c2cc(B(O)O)ccc2Cl)CC1 169744140 SHLSEDNAXSUNAO-UHFFFAOYSA-N 281.548 0.892 50 50 CCGA CC(C)(CNC(=O)CCl)[C@H]1COCC12OCCO2 1875378200 XEBHNIHCKUNKPE-SECBINFHSA-N 277.748 0.757 50 50 CCGA Cc1cc(N2CCC[C@H](NC(=O)[C@H](C)Cl)C2=O)n(C)n1 1875364426 MNVHDZUDZQRTOM-UWVGGRQHSA-N 298.774 0.967 50 50 CCGA O=C(NNc1ncccc1Cl)c1n[nH]c(O)n1 734246172 ZOVOMBBJEBSIML-UHFFFAOYSA-N 254.637 0.316 50 50 CCGA O=C(NNC(=O)[C@@H]1CCCO1)c1cccc(F)c1 256212 QSTMKGJVAITXHX-JTQLQIEISA-N 252.245 0.766 50 50 CCGA OB(O)c1cccc(OCCN2CCCCCC2)c1 197917820 QMLGXJYGNFBFEY-UHFFFAOYSA-N 263.146 0.621 50 50 CCGA CN1c2ccccc2[C@@H](NC(=O)CCl)CS1(=O)=O 1875374682 CMGXURZZKKLOLH-VIFPVBQESA-N 288.756 0.862 50 50 CCGA N#Cc1ccc(COc2cccc(B(O)O)c2)cc1 169922506 NWEBJLANUDYFMY-UHFFFAOYSA-N 253.066 0.817 50 50 CCGA in-vitro C[C@]12C(=O)CC(=O)[C@]1(C)[C@@]1(C)C(=O)OC(=O)[C@@]21C 263618523 UENLXKNRCZRCMX-ZDEQEGDKSA-N 250.250 0.651 50 50 CCGA in-vitro COc1cccc(CN2CCC[C@H](C(=O)NN)C2)c1OC 4950572 LTITYVMLUHZWED-LBPRGKRZSA-N 293.367 0.906 50 50 CCGA ClC1C2(OCCO2)[C@H]2CC[C@@H](O2)C12OCCO2 101044537 VPQOQOGMDITTHM-HTQZYQBOSA-N 262.689 0.641 50 50 CCGA C[C@@H](Cl)C(=O)NCC1(OCCO)CCOCC1 1875366337 BSWKAEJRCLLVKQ-SECBINFHSA-N 265.737 0.288 50 50 CCGA O=C(CCCO)N/N=C/c1cccc([N+](=O)[O-])c1 1957653 XZVBVIXCOZWWLE-XYOKQWHBSA-N 251.242 0.817 50 50 CCGA O=C(NNC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2)c1cnsn1 894285683 ZHYNQIJNNJYQRS-HRDYMLBCSA-N 278.337 0.901 50 50 CCGA COc1cc(/C=N/NC(N)=O)cc2sc(=O)oc12 436133 NLNYVDOLQZPSNA-UUILKARUSA-N 267.266 0.865 50 50 CCGA Cc1cccc(CNC(=O)c2ccc(F)c(B(O)O)c2)c1 169744280 XHPBFCUFHZANHQ-UHFFFAOYSA-N 287.099 0.744 50 50 CCGA Cc1cc2c3c(c1)c(=O)c(C(=O)NN)cn3CCC2 32578935 JZHXRGWIMUIEHQ-UHFFFAOYSA-N 257.293 0.860 50 50 CCGA CC(C)(C)n1nnc(C(=O)NNC(=O)c2cccs2)n1 2325756962 DADZPEYAQIVHPL-UHFFFAOYSA-N 294.340 0.564 50 50 CCGA O=C(Nc1cccc(F)c1)c1ccc(B(O)O)cc1F 169744095 UNKWYMOEALMDTN-UHFFFAOYSA-N 277.035 0.897 50 50 CCGA C[C@@H](Cl)C(=O)NCCS(=O)(=O)C(C)(C)C 1875255274 OGJUKAYRUCEHAK-SSDOTTSWSA-N 255.767 0.943 50 50 CCGA O=C(NC1CCCC1)c1cc(B(O)O)ccc1F 169744354 LUGNKXXVPNKQTO-UHFFFAOYSA-N 251.066 0.178 50 50 CCGA COc1ccc(NC(=O)c2cc(F)cc(B(O)O)c2)cc1 169744305 VUPXLEICJCYVBD-UHFFFAOYSA-N 289.071 0.766 50 50 CCGA COCCNC(=O)C(=O)N/N=C\c1ccccc1F 32603886 YJILNZZXRNQVPS-NVNXTCNLSA-N 267.260 0.038 50 50 CCGA N#C/C(N)=C(\C#N)N=Cc1cc2c(cc1[N+](=O)[O-])OCO2 252463566 DDXICRIRDVJOPD-RYWCNDBESA-N 285.219 0.960 50 50 CCGA COc1cccc(C(=O)NNC(=O)[C@H]2CCCO2)c1 290064 GZBIVGZUOZTDMK-LLVKDONJSA-N 264.281 0.635 50 50 CCGA O=C(NN=c1c(=O)c2ccccc2c1=O)c1ccccc1 438092 WDKQLYHQNBQDHB-UHFFFAOYSA-N 278.267 0.682 50 50 CCGA CN(C)C(=O)NNC(=O)C(=O)Nc1cccc(Cl)c1 2165563 ZJABQJCEJJJURU-UHFFFAOYSA-N 284.703 0.581 50 50 CCGA Cn1nccc1N1CCC[C@@H](NC(=O)CCl)C1=O 1875367747 JNTZURBJFNHEBB-MRVPVSSYSA-N 270.720 0.271 50 50 CCGA O=C(Nc1ccncc1)c1ccc(F)c(B(O)O)c1 169744038 QZOJQJVFSHJCBX-UHFFFAOYSA-N 260.033 0.153 50 50 CCGA O=C(NCc1ccccc1)c1cccc(B(O)O)c1F 169744697 DKOMHWYERZDJFS-UHFFFAOYSA-N 273.072 0.436 50 50 CCGA COc1ccc(OC)c(CN2CCC[C@H](C(=O)NN)C2)c1 4949163 XRUAGXKLHRBGIY-NSHDSACASA-N 293.367 0.906 50 50 CCGA N#Cc1ccccc1COc1ccc(B(O)O)cc1 169922472 GQJXMTNIYDUFJH-UHFFFAOYSA-N 253.066 0.817 50 50 CCGA in-vitro CC(C)(C)OC(=O)Nc1cc(B(O)O)cc([N+](=O)[O-])c1 169988656 JPHZIEFAMNBMIT-UHFFFAOYSA-N 282.061 0.622 50 50 CCGA CC1=NNC(=O)[C@@H]1CCC(=O)N/N=C/c1ccccc1O 100557078 ZCIKPVZIODDPED-OXFWXOROSA-N 288.307 0.744 50 50 CCGA C[C@@H](Cl)C(=O)NC1(c2ncon2)CCOCC1 1875377515 GFWUUJKEDZKQMS-SSDOTTSWSA-N 259.693 0.819 50 50 CCGA O=C(Cc1cccs1)NNC(=S)NC[C@@H]1CCCO1 610112 RVDMQHQELOMTHM-VIFPVBQESA-N 299.421 0.965 50 50 CCGA C[C@@H](Cl)C(=O)NC[C@@]1(CO)COCC2(CCC2)N1C 1875366837 JIWOWSUMCLJDHW-ZWNOBZJWSA-N 290.791 0.346 50 50 CCGA CCCNC(=O)c1sc(CC(=O)NN)nc1C 409444224 PVOKIIITVFWZGQ-UHFFFAOYSA-N 256.331 0.124 50 50 CCGA CN(C)C(=O)c1cnn2c1[C@H](CNC(=O)CCl)CCC2 1875374916 JPDRIKKFRFKDFN-VIFPVBQESA-N 298.774 0.817 50 50 CCGA CCCCCOCC(=O)NNC(=O)c1ccc(O)nc1 585127528 CHWMVHAWQMLMFN-UHFFFAOYSA-N 281.312 0.755 50 50 CCGA CCC(=O)NCC(=O)N/N=c1/sc2ccccc2n1C 170593969 PPGVEUYDVSAEDE-DTQAZKPQSA-N 292.364 0.698 50 50 CCGA COC(=O)[C@H]1COC(C=O)=CN1C(=O)OC(C)(C)C 1857787452 RSEXZDMQSNJPRL-SECBINFHSA-N 271.269 0.836 50 50 CCGA CS(=O)(=O)NNC(=O)[C@@H]1C[C@H]1c1ccccc1 256240 ANXOSWKWMWSEHD-VHSXEESVSA-N 254.311 0.371 50 50 CCGA COc1cccc(C(=O)NNC(=O)[C@@H]2CCCO2)c1 290065 GZBIVGZUOZTDMK-NSHDSACASA-N 264.281 0.635 50 50 CCGA COC(=O)NNC(=S)NC(=O)c1ccccc1OC 2861735 ZECPCEBENWSJQD-UHFFFAOYSA-N 283.309 0.571 50 50 CCGA CCn1c(O)nnc1[C@@H]1C[C@H](OC)CN1C(=O)CCl 1875374627 ASRVJJOPJLLNAT-YUMQZZPRSA-N 288.735 0.531 50 50 CCGA Cc1noc([C@]2(O)CCN(C(=O)[C@@H](C)Cl)C2)n1 1875380017 CFEIUVSXKXGQLJ-LDWIPMOCSA-N 259.693 0.425 50 50 CCGA CC(C)(C)OC(=O)NCc1cc(F)ccc1B(O)O 169745069 WANLARIENVQVRS-UHFFFAOYSA-N 269.081 0.530 50 50 CCGA OB(O)c1ccc(Br)nc1Br 169917450 PTTWODKSMWAAHP-UHFFFAOYSA-N 280.712 0.286 50 50 CCGA in-vitro COc1ccc([C@@H]2C(C#N)=C(N)Oc3nc[nH]c(=O)c32)cc1 18187823 PNAPHIXBFWMEGL-LLVKDONJSA-N 296.286 0.997 50 50 CCGA C[C@@H]1CCCN(C(=O)c2cc(B(O)O)ccc2Cl)C1 169744248 ORXLNADDLISLFV-SECBINFHSA-N 281.548 0.892 50 50 CCGA O=C(COc1ccccc1)N/N=C/N1CCOCC1 43761375 HBTHSWPBVGYVFF-SDNWHVSQSA-N 263.297 0.457 50 50 CCGA O=C(NNC(=O)[C@H]1CCOC1)c1cnc(C2CC2)o1 879743774 HISQNRGSHHSODL-QMMMGPOBSA-N 265.269 0.350 50 50 CCGA C[C@H](CNC(=O)OC(C)(C)C)Oc1ccc(B(O)O)cc1 390835915 ZYIFVVQIUZAJPP-SNVBAGLBSA-N 295.144 0.658 50 50 CCGA N#C/C(=C\c1cccs1)C(=O)N[C@H]1CCS(=O)(=O)C1 2667355 WILHBDUDJYKATA-ZKXNXJMVSA-N 296.373 0.958 50 50 CCGA COc1ccc(-c2cc(C(=O)NN)[nH]n2)cc1OC 6786784 UKZMUSHNNHBWJV-UHFFFAOYSA-N 262.269 0.697 50 50 CCGA COc1ccc(OCc2ccc(B(O)O)cn2)cc1 203619381 HAFLEQZJVBYYCS-UHFFFAOYSA-N 259.070 0.349 50 50 CCGA CCCOc1cc(Br)cc(B(O)O)c1 169877331 OHFYAFQVSGUNME-UHFFFAOYSA-N 258.908 0.918 50 50 CCGA in-vitro O=C(NNC(=O)[C@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 260446 VLSVGFYFCBEYIQ-SNVBAGLBSA-N 279.252 0.535 50 50 CCGA O=C(Cn1cc([N+](=O)[O-])cn1)NCC(Cl)Cl 288232620 NQRMIPVDRGYFET-UHFFFAOYSA-N 267.072 0.711 50 50 CCGA CCOC(=O)[C@@]12C=C[C@@H](CC1)[C@H]1C(=O)OC(=O)[C@H]12 239433947 YUHKVFTVEJNHJO-ZZIUEJKTSA-N 250.250 0.832 50 50 CCGA O=C(NNC(=O)[C@@H]1CCOC1)c1ccnc(C2CC2)n1 754344239 PHFXPAKXTPKGEI-SECBINFHSA-N 276.296 0.152 50 50 CCGA Cn1cc(C(=O)N/N=C/c2ccc(O)cc2O)ccc1=O 436307 VKJSXNLIFKWNPZ-VIZOYTHASA-N 287.275 0.560 50 50 CCGA CC(C)(C)n1nnc(C(=O)NNC(=O)C2CCCCC2)n1 2325756966 PYQYAACFCWEYHD-UHFFFAOYSA-N 294.359 0.769 50 50 CCGA C[C@]1(C(=O)NN)CC1(Br)Br 2565649 PQSDXYDHMNMBFU-SCSAIBSYSA-N 271.940 0.872 50 50 CCGA O=C(N/N=C/c1ccccc1O)c1ccc(O)nn1 5123800 RAPAYNNWKRHDGM-NTUHNPAUSA-N 258.237 0.652 50 50 CCGA COc1cccc(Oc2ncc(B(O)O)s2)c1 170001650 GSFBNRRBYXRDBQ-UHFFFAOYSA-N 251.072 0.624 50 50 CCGA O=Cc1cc(OCc2ncccc2F)ccc1B(O)O 2325853979 JQNAKZGULQAVEV-UHFFFAOYSA-N 275.044 0.292 50 50 CCGA O=C(CCl)NCCNC(=O)COc1ccccc1 169917791 WOCDPPCDHDKJIG-UHFFFAOYSA-N 270.716 0.537 50 50 CCGA OCC(CO)(CBr)CBr 162336 CHUGKEQJSLOLHL-UHFFFAOYSA-N 261.941 0.747 50 50 CCGA biogenic,in-vitro CO[C@@H]1COC[C@H]1n1cc(CNC(=O)[C@@H](C)Cl)nn1 1875375344 ADXJXVUIEYMXBG-SZEHBUNVSA-N 288.735 0.108 50 50 CCGA CC(C)(C)OC(=O)n1cc(B(O)O)c2cccnc21 198855838 UFYPGJMHBDEHNT-UHFFFAOYSA-N 262.074 0.499 50 50 CCGA in-vitro CCN(CC)S(=O)(=O)c1c(C)cc(B(O)O)cc1C 230537808 PHMYJQTZLISWIU-UHFFFAOYSA-N 285.174 0.014 50 50 CCGA OB(O)c1cc(Cl)c(F)c(Br)c1 261493841 KKFYHRPFULAKIH-UHFFFAOYSA-N 253.263 0.921 50 50 CCGA NS(=O)(=O)c1ccc(NC(=O)CCCl)cc1 6333036 WKWALIXZDKXXKC-UHFFFAOYSA-N 262.718 0.901 50 50 CCGA in-vitro COc1cccc(CN2CCC[C@@H](C(=O)NN)C2)c1OC 4950580 LTITYVMLUHZWED-GFCCVEGCSA-N 293.367 0.906 50 50 CCGA O=C(O)CCCC(=O)NNC(=O)c1ccccc1 2759695 LVZVHGWKJUGCNO-UHFFFAOYSA-N 250.254 0.703 50 50 CCGA C[C@H](Cl)C(=O)NC[C@@H]1CC[C@H](C(=O)N(C)C)O1 1875378300 ZATJCXFHOCRZSZ-XHNCKOQMSA-N 262.737 0.366 50 50 CCGA COc1cccc([C@@H]2C(C#N)=C(N)Oc3nc[nH]c(=O)c32)c1 15107684 YYYPUYMVGCIBAE-LLVKDONJSA-N 296.286 0.997 50 50 CCGA CC1CCN(C(=O)CCc2ccccc2B(O)O)CC1 230526096 NHDIASTVRIUJJS-UHFFFAOYSA-N 275.157 0.558 50 50 CCGA Cc1nc(C(=O)NN)nn1-c1ccc(Cl)cc1 96511535 BYTPOIDPTSPRMM-UHFFFAOYSA-N 251.677 0.833 50 50 CCGA CCOc1ccc(NC(=O)C(=O)NNC(=O)N(C)C)cc1 2167616 GPEXHZXFEAEWEH-UHFFFAOYSA-N 294.311 0.326 50 50 CCGA COc1cc(/C=N/NC(=O)c2nonc2N)ccc1O 99903 AJEMSAMAECHHQG-WLRTZDKTSA-N 277.240 0.130 50 50 CCGA O=C(O)CCC(=O)NNC(=O)c1cccc(O)c1 2898332 AUHMMMDHJKHAMI-UHFFFAOYSA-N 252.226 0.018 50 50 CCGA CC(C)c1ccc(/C=N/NC(=O)Cn2nnnc2N)cc1 522553 DHADHGORCISTEL-VIZOYTHASA-N 287.327 0.529 50 50 CCGA CCn1cc(C(=O)NN)c(=O)c2cc(F)c(NN)cc21 117966 ICFCNHFFYJFNSZ-UHFFFAOYSA-N 279.275 0.050 50 50 CCGA Cn1nnc(=NS(=O)(=O)c2ccccc2CCl)[nH]1 385545826 NZTRMXCBUYRBCF-UHFFFAOYSA-N 287.732 0.172 50 50 CCGA N#CCC(=O)NNC(=S)Nc1cccc([N+](=O)[O-])c1 2853240 SHLFHPRNMLFFRO-UHFFFAOYSA-N 279.281 0.826 50 50 CCGA O=[N+]([O-])c1cc(C(F)(F)F)c(F)cc1B(O)O 216699826 WGIQLIQTHKOGAP-UHFFFAOYSA-N 252.916 0.433 50 50 CCGA Cc1nn(C)c(NNC(=O)[C@H]2C[C@]23CCOC3)c1C#N 1875344665 IMOGSKWOVXBOGS-MFKMUULPSA-N 275.312 0.470 50 50 CCGA CCO[C@@H](C)C(=O)NNc1c(C#N)c(C)nn1C 1875344349 CSHMYFZJNXSQPV-QMMMGPOBSA-N 251.290 0.468 50 50 CCGA NNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1ccccc1 394021 CUDSVYDXQQXCSB-AWEZNQCLSA-N 299.330 0.723 50 50 CCGA in-vitro OB(O)c1cc2nnn(C3CCCCC3)c2c(F)c1F 170002029 WITYMVNFEBGJRH-UHFFFAOYSA-N 281.071 0.895 50 50 CCGA OB(O)c1ccc(F)cc1COCC(F)(F)F 230527001 CBBVKMAXTUHNQM-UHFFFAOYSA-N 251.972 0.584 50 50 CCGA CN(c1ccccc1)S(=O)(=O)c1ccc(B(O)O)cc1 169744373 PUWVRBKKJNKHLI-UHFFFAOYSA-N 291.137 0.192 50 50 CCGA C[C@H]1CN(C(=O)[C@@H](C)Cl)CCN1C(=O)c1cnn(C)c1 1875387726 UTNGRTQWEAAOKY-VHSXEESVSA-N 298.774 0.720 50 50 CCGA C[C@H]1CC[C@@H](C)N(C(=O)c2ccc(B(O)O)cc2)C1 584953301 AXFWGYVCRRYTJS-WDEREUQCSA-N 261.130 0.627 50 50 CCGA OB(O)c1ccc(F)c(COCC(F)(F)F)c1 230537452 XAIOIXMVFZMRPD-UHFFFAOYSA-N 251.972 0.584 50 50 CCGA CCC1(N2CCN(C(=O)[C@H](C)Cl)CC2)COC1 1875370394 NKUHKDSDBZGNGC-JTQLQIEISA-N 260.765 0.937 50 50 CCGA C[C@H](Cl)C(=O)NC[C@H](N1CCOCC1)C(F)(F)F 1875377978 SKZOJCLJUVOQQJ-YUMQZZPRSA-N 288.697 0.993 50 50 CCGA OB(O)c1ccc(OCCSC2CCOCC2)cc1 169927478 SPDDQGVIIKXIHU-UHFFFAOYSA-N 282.170 0.657 50 50 CCGA O=C(CCl)N[C@H]1CCN(C2CCOCC2)C1=O 1331845670 KBXIDTPKVCGYDB-VIFPVBQESA-N 260.721 0.121 50 50 CCGA O[C@H](CCl)COCC#CCOC[C@@H](O)CCl 95904396 FPNVDCLFXCGXLH-AOOOYVTPSA-N 271.140 0.222 50 50 CCGA CC1=C[C@H]([C@@H]2CC(=O)OC2=O)C[C@@H]2C(=O)OC(=O)[C@H]12 98009719 DGQOZCNCJKEVOA-AZQAYCESSA-N 264.233 0.358 50 50 CCGA in-vitro O=C(NC1CCCCC1)c1ccc(B(O)O)c(F)c1 169744630 ZBBIGDLFEWYSPN-UHFFFAOYSA-N 265.093 0.568 50 50 CCGA O=C(Nc1ccccc1)c1cccc(B(O)O)c1F 169744685 WZUWPZABSLLHPX-UHFFFAOYSA-N 259.045 0.758 50 50 CCGA O=C(NNC(=S)NC[C@H]1CCCO1)c1cccnc1 621553 ZNOBXQJYVYJNDJ-SNVBAGLBSA-N 280.353 0.370 50 50 CCGA N#CC1=C(N)Oc2c(oc(CO)cc2=O)[C@H]1c1ccncc1 112774 FGVLMYOPSKMFKW-LBPRGKRZSA-N 297.270 0.745 50 50 CCGA CC(C)(C)OC(=O)N1CCc2ccc(B(O)O)cc21 217046216 MYIBUIVBMRTSDF-UHFFFAOYSA-N 263.102 0.664 50 50 CCGA Cc1cc(B(O)O)cc(C)c1S(=O)(=O)NC1CCCC1 230552921 OTXYDMVQKWRULL-UHFFFAOYSA-N 297.185 0.204 50 50 CCGA NNC(=O)c1ccccc1I 61831 KWILBQORUHQREX-UHFFFAOYSA-N 262.050 0.895 50 50 CCGA in-vitro CCN1CCN(CC(=O)N/N=C/c2ccsc2)CC1 19594990 YUNZETZHUYQJOJ-NTEUORMPSA-N 280.397 0.836 50 50 CCGA CCOC(=O)[C@@H](CCC#N)NC(=O)[C@H](F)Cl 2325820748 YCCLIGBXYILMIQ-RQJHMYQMSA-N 250.657 0.872 50 50 CCGA CCc1noc(CC)c1CNCc1ccccc1B(O)O 585028649 OCCBBCKLISDTFW-UHFFFAOYSA-N 288.156 0.769 50 50 CCGA CCOc1ccc(Br)c(B(O)O)c1F 169747990 GCNQUSXPZGIAQM-UHFFFAOYSA-N 262.871 0.667 50 50 CCGA in-vitro COc1ccc([C@@H]2Cn3nnc(C(=O)NN)c3CO2)cc1 1775973065 IRTIWCJRHHHKMW-NSHDSACASA-N 289.295 0.162 50 50 CCGA CC(C)N1CCN2C(=O)[C@H](NC(=O)CCl)C[C@@H]2C1 1875374924 JXROWBJGGPGQCV-NXEZZACHSA-N 273.764 0.035 50 50 CCGA CNC(=S)NNC(=O)c1ccc([N+](=O)[O-])cc1 122399 WLXGNFHOQXXICV-UHFFFAOYSA-N 254.271 0.334 50 50 CCGA Cn1cccc1CC(=O)NNC(=S)NC[C@@H]1CCCO1 612058 RNMBTSXZDRSLTI-NSHDSACASA-N 296.396 0.242 50 50 CCGA Cn1cccc1C(=O)NNS(=O)(=O)CCCCF 328595931 KOXBYBOSXMAZHX-UHFFFAOYSA-N 277.321 0.339 50 50 CCGA CC1CCN(Cc2cc(F)cc(B(O)O)c2)CC1 211709431 MVHZMDMWHNQOHL-UHFFFAOYSA-N 251.110 0.737 50 50 CCGA O=C(N/N=C/c1ccccn1)C(=O)N1CCCCCC1 2315573 MFJCIQAEKBAHGV-LFIBNONCSA-N 274.324 0.934 50 50 CCGA O=C(CCl)NC[C@]1(O)[C@H]2[C@H]3C[C@@H]4[C@@H]5[C@H]3[C@H]1[C@@H]5C[C@H]42 1875375479 CEJMEIFBVSWQSN-ZAMYOWTFSA-N 267.756 0.850 50 50 CCGA NNC(=O)c1cc(Br)cc([N+](=O)[O-])c1 38536968 RLHWLNZTHBJYBV-UHFFFAOYSA-N 260.047 0.961 50 50 CCGA in-vitro O=C(CCl)N[C@@H]1CS(=O)(=O)C12CCCCC2 1875375183 UCMAPBFLHLPPJR-MRVPVSSYSA-N 265.762 0.841 50 50 CCGA CC1=C[C@H]([C@@H]2CC(=O)OC2=O)C[C@H]2C(=O)OC(=O)[C@H]12 100003631 DGQOZCNCJKEVOA-QHOPCYEYSA-N 264.233 0.358 50 50 CCGA in-vitro O=S(=O)(CCl)NOCCN1CCCCCC1 45069019 BAUKXHNPNLFBPS-UHFFFAOYSA-N 270.782 0.910 50 50 CCGA O=C(N/N=C/c1ccc([N+](=O)[O-])s1)OCCO 44123267 JQSQMAIQQVXORZ-WEVVVXLNSA-N 259.243 0.709 50 50 CCGA CC(C)(C)OC(=O)n1c(B(O)O)cc2ccncc21 310026276 VCSYTSRDQUHTPH-UHFFFAOYSA-N 262.074 0.499 50 50 CCGA CC1=NNC(=O)[C@@H]1CC(=O)N/N=C/c1cccc(O)c1 100609542 HAHGCFKDVGUIOA-LLUUXILJSA-N 274.280 0.354 50 50 CCGA O=C(NC1CCCC1)c1ccc(B(O)O)c(F)c1 169744625 WLDQBJUXOCDXDV-UHFFFAOYSA-N 251.066 0.178 50 50 CCGA OB(O)c1ccc(CCO[C@@H]2CCCCO2)cc1 169864715 HICMGZMCEXKDKB-CYBMUJFWSA-N 250.103 0.452 50 50 CCGA in-vitro C[C@@H]1CCCCN1C(=O)c1ccc(B(O)O)c(F)c1 169744594 ARZXJXWFXNWWBS-SECBINFHSA-N 265.093 0.520 50 50 CCGA Cc1cccc(-c2nnc(SCC(=O)NN)n2C)c1 66324325 DBVVZRZNTLIBCJ-UHFFFAOYSA-N 277.353 0.873 50 50 CCGA OB(O)c1c(F)ccc(Cl)c1Br 169994970 VXFAFMUNENKHDY-UHFFFAOYSA-N 253.263 0.921 50 50 CCGA in-vitro O=C(NCc1ccccc1F)c1cccc(B(O)O)c1F 169744706 YHUCOVPBFFVBFC-UHFFFAOYSA-N 291.062 0.575 50 50 CCGA Cc1nn(C)c(NNC(=O)c2cnc3n2CCCC3)c1C#N 1875349631 GBIBJZPLEHGIFF-UHFFFAOYSA-N 299.338 0.890 50 50 CCGA COC(=O)CCC(=O)NNC(=O)COc1ccccc1 2937700 FLVRCGMDOIWIGK-UHFFFAOYSA-N 280.280 0.166 50 50 CCGA O=C(O)c1cc(Br)cc2cc(B(O)O)cnc12 606241601 CEGULKVEAHZIGY-UHFFFAOYSA-N 295.885 0.375 50 50 CCGA OB(O)c1ccc2c(c1)OC(F)(F)C(F)(F)O2 195921048 HKSBFCNVNDMBGR-UHFFFAOYSA-N 251.928 0.323 50 50 CCGA CC(C)(C)OC(=O)n1cc(B(O)O)c2ccncc21 203744017 NSNINLFIEPKJOF-UHFFFAOYSA-N 262.074 0.499 50 50 CCGA in-vitro C[C@]12C(=O)CC(=O)[C@]1(C)[C@@]1(C)C(=O)OC(=O)[C@]21C 263618522 UENLXKNRCZRCMX-WUHRBBMRSA-N 250.250 0.651 50 50 CCGA in-vitro CC1CCN(C(=O)c2ccc(B(O)O)c(F)c2)CC1 169744497 LNTNIPBCDHBXKY-UHFFFAOYSA-N 265.093 0.378 50 50 CCGA C[C@@H](Cl)C(=O)N1CCN(C[C@@H]2CCOC2)CC1 1875364795 UKUAEYPUILAOCU-MNOVXSKESA-N 260.765 0.794 50 50 CCGA COc1cccc(/C=N/NC(=O)c2cnccn2)c1O 381515 ZRUBMUPYAHQRPT-FRKPEAEDSA-N 272.264 0.955 50 50 CCGA Cc1cc(N2CCC[C@@H](NC(=O)[C@@H](C)Cl)C2=O)n(C)n1 1875364424 MNVHDZUDZQRTOM-NXEZZACHSA-N 298.774 0.967 50 50 CCGA O=C(NNc1cccnn1)c1nnc(O)c2ccccc12 1337680688 VWLYRJZHVGKERM-UHFFFAOYSA-N 282.263 0.882 50 50 CCGA OB(O)c1cc(C(F)(F)F)cnc1Br 170002757 CDHLHHBJRNPGEV-UHFFFAOYSA-N 269.813 0.543 50 50 CCGA Cc1ccc(CNC(=O)c2cccc(B(O)O)c2F)cc1 169744717 OKJZHLHCULRTID-UHFFFAOYSA-N 287.099 0.744 50 50 CCGA O=C(CCl)NCC(=O)N[C@H](Cc1ccccc1)C(=O)O 1575465 FZPAZQPQIBPMHD-SNVBAGLBSA-N 298.726 0.154 50 50 CCGA O=C(CCl)NC[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1875367756 JXWIHJFRMWRRDG-ZJUUUORDSA-N 294.804 0.546 50 50 CCGA C[C@@H](Cl)C(=O)NC[C@@H]1CN(c2nncs2)CCO1 1875376126 MWNDJBKAFBSIOD-HTQZYQBOSA-N 290.776 0.487 50 50 CCGA C[C@H](Cl)C(=O)N1CCC2(CC1)NC(=O)[C@@H](C)O2 1875376485 YLHMCINQIXQUKO-JGVFFNPUSA-N 260.721 0.467 50 50 CCGA CCCCOc1ncc(C(F)(F)F)cc1B(O)O 169934100 ORZGWYBUBBSXCL-UHFFFAOYSA-N 263.024 0.959 50 50 CCGA in-vitro CCOc1c(F)ccc(Br)c1B(O)O 169901998 UKBDAFLNQDNKIH-UHFFFAOYSA-N 262.871 0.667 50 50 CCGA COc1ccc(/C=N/NC(=O)C[C@@H]2C(=O)NN=C2C)cc1 100355063 DVPUNHQWSJSDMV-AAWHYMEISA-N 288.307 0.657 50 50 CCGA Cc1cc(C(=O)NNC(=O)c2cccnc2S)[nH]n1 151219500 CMHGCMIXVROQMQ-UHFFFAOYSA-N 277.309 0.477 50 50 CCGA N#CC1=C(N)NC(N2CCOCC2)=NC12CCCCC2 71385043 MRNLWXXTZSTYLF-UHFFFAOYSA-N 275.356 0.675 50 50 CCGA COc1ccc(NC(=O)c2cccc(B(O)O)c2)cc1 230543592 CAYFIPXETZSTMI-UHFFFAOYSA-N 271.081 0.627 50 50 CCGA Cc1ncsc1C(=O)NCCNC(=O)[C@@H](C)Cl 1875363929 DPZPUJKRBKQRBO-ZCFIWIBFSA-N 275.761 0.925 50 50 CCGA Cc1cc(C(=O)NNC(=O)COc2ccccc2)[nH]n1 586775 WOUYQZXOHMBSQA-UHFFFAOYSA-N 274.280 0.558 50 50 CCGA O=C(O)CCC(=O)NNC(=O)c1ccc(Cl)cc1 2776552 YKGSNTZTZKRBDE-UHFFFAOYSA-N 270.672 0.966 50 50 CCGA CN1CCN(CC(=O)N/N=C\c2ccccc2O)CC1 22342620 JPBCJCBFGXBBQY-GDNBJRDFSA-N 276.340 0.090 50 50 CCGA CC(C)Cn1c(=O)c(C(=O)NN)c(O)c2ccccc21 299738166 DGOCHCHSTSMXAH-UHFFFAOYSA-N 275.308 0.967 50 50 CCGA CC(=O)N/N=C\c1cc(C)cc(/C=N\NC(C)=O)c1O 30909832 BGFKDLAKXINHLA-LRSUZXNRSA-N 276.296 0.641 50 50 CCGA O=S(=O)(Nc1ccc(F)cc1)c1ccc(B(O)O)cc1 169744091 MFWQIJUPTCPQPU-UHFFFAOYSA-N 295.100 0.306 50 50 CCGA in-vitro O=C(NNC(=O)[C@H]1CCCO1)c1coc(C2CC2)n1 817213773 DFBZXFGTRJEBQR-SECBINFHSA-N 265.269 0.492 50 50 CCGA O=C(O)C[C@@H]1COCCN1S(=O)(=O)C1(CCl)CC1 1875289149 UZZJGQYFXLLVMS-MRVPVSSYSA-N 297.760 0.263 50 50 CCGA N#C/C(=C\c1ccco1)c1nn(CCO)c(N)c1C#N 4595268 FIZBAYFCSQFENR-RMKNXTFCSA-N 269.264 0.986 50 50 CCGA CC(=O)NNC(=O)COc1ccc(Br)cc1 273029 REMFSBPPCZTJGZ-UHFFFAOYSA-N 287.113 0.995 50 50 CCGA O=C(CCl)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)O 2159774 FZPAZQPQIBPMHD-JTQLQIEISA-N 298.726 0.154 50 50 CCGA Cc1nn(C)c(NNC(=O)c2ccc(O)nc2)c1C#N 1875349567 BRLMLJNUYIXWJK-UHFFFAOYSA-N 272.268 0.458 50 50 CCGA CC[C@@H]1C(=O)NN=C1C(=O)N/N=C/c1ccccc1 102297225 WEYCTIRIDNDWKH-CEITULEQSA-N 258.281 0.649 50 50 CCGA Cc1cccc(CNC(=O)c2cc(F)cc(B(O)O)c2)c1 169744176 SVARINNUKWQPEE-UHFFFAOYSA-N 287.099 0.744 50 50 CCGA O=C(NCCCNS(=O)(=O)C(F)F)[C@H](F)Cl 2325820734 VKGWPUGTJVSBOG-BYPYZUCNSA-N 282.671 0.169 50 50 CCGA C[C@@H](NC(=O)[C@@H](F)Cl)c1nnc2n1CCOC2 2325901523 JPHFSYNOPVKFRF-IYSWYEEDSA-N 262.672 0.520 50 50 CCGA C/C(=N\NC(=O)C[C@@H]1NCCNC1=O)c1ccccc1 25557931 YITOUTXGSDNDCW-VAKHEIKFSA-N 274.324 0.005 50 50 CCGA Cc1nc2cc(B(O)O)c(F)cc2n1C(C)(C)C 170002034 NUAHPRZSYNNEFZ-UHFFFAOYSA-N 250.082 0.919 50 50 CCGA O=C(Nc1cccnc1)c1ccc(F)c(B(O)O)c1 169744069 LWVDXBKALYJJIU-UHFFFAOYSA-N 260.033 0.153 50 50 CCGA C[C@H]1CCCCN1C(=O)c1ccc(B(O)O)c(F)c1 169744595 ARZXJXWFXNWWBS-VIFPVBQESA-N 265.093 0.520 50 50 CCGA COC(=O)c1cccn1[C@@H](B(O)O)c1ccc(OC)cc1 169978187 GQKHAWNZBHGYHC-CYBMUJFWSA-N 289.096 0.885 50 50 CCGA O=C(NNC(=O)[C@H]1C[C@H](n2cnnc2)C1)c1ccncc1 2325865995 XLHNIHRUNZJWHA-XYPYZODXSA-N 286.295 0.085 50 50 CCGA O=C(O)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@H]2Br 239248095 YAUZWMLHLWHCLG-FQGZZYRYSA-N 261.071 0.642 50 50 CCGA N#Cc1cc(B(O)O)ccc1OCc1ccccc1 203589150 CNLFXTLXGOSRAW-UHFFFAOYSA-N 253.066 0.817 50 50 CCGA COCOc1cc(Br)ccc1B(O)O 1857785903 ZDXAGEUOPIHIFR-UHFFFAOYSA-N 260.880 0.112 50 50 CCGA CC(=O)OCC1=C[C@@H]2[C@H]3C=C[C@H]([C@H]4C(=O)OC(=O)[C@H]43)[C@H]12 254623057 HEPGNZNJPRYADJ-NMIFLECGSA-N 274.272 0.854 50 50 CCGA O=C(O)CCC(=O)NNC(=O)c1ccc(O)cc1 2938029 FBORCTNCGDPGQF-UHFFFAOYSA-N 252.226 0.018 50 50 CCGA O=C(CCl)N1CCC[C@@H](N2CCCS2(=O)=O)CC1 1875367476 FWILTTLMVFDZCO-SNVBAGLBSA-N 294.804 0.642 50 50 CCGA O=C(CCl)N1C[C@@H]2CCCS(=O)(=O)[C@@H]2C1 725450614 STHYNCWKJHJGPR-JGVFFNPUSA-N 251.735 0.261 50 50 CCGA O=C(O)c1ccc(/C=N/NC(=O)c2cnccn2)cc1 550133 DYKKGAYYRDYJFE-FRKPEAEDSA-N 270.248 0.939 50 50 CCGA O=S(=O)(CBr)N1CC[C@@H]2O[C@@H]2CC1 43199302 BMGOVKCMYYAEEQ-KNVOCYPGSA-N 270.148 0.532 50 50 CCGA COc1ccc(OCc2ccccc2)c(B(O)O)c1 169901945 NKCGRZUCAKJOFK-UHFFFAOYSA-N 258.082 0.954 50 50 CCGA in-vitro C/C(Cn1nnc([N+](=O)[O-])n1)=N\NC(=O)c1ccoc1C 1191782 KYPZQISMVMPHHC-IZZDOVSWSA-N 293.243 0.289 50 50 CCGA O=C(NC1CCCC1)c1ccc(B(O)O)cc1Cl 169794543 ZGCZUSCEHGWQRO-UHFFFAOYSA-N 267.521 0.692 50 50 CCGA in-vitro CC1CCN(C(=O)c2ccc(B(O)O)cc2F)CC1 169744177 NTDBICSBLSVBSL-UHFFFAOYSA-N 265.093 0.378 50 50 CCGA O=C(c1ccc(B(O)O)c(Cl)c1)N1CCCC1 169744527 CCPHBMWIZPSWRQ-UHFFFAOYSA-N 253.494 0.256 50 50 CCGA NC(=S)NNC(=O)C(=O)Nc1ccc(Cl)cc1 5715338 LNZJGOOMPJVPGY-UHFFFAOYSA-N 272.717 0.143 50 50 CCGA CCN1CCN(Cc2ccc(B(O)O)cc2Cl)CC1 230546248 BLQYBHGCTFMYGK-UHFFFAOYSA-N 282.580 0.157 50 50 CCGA COC(=O)[C@]12C[C@H]([C@@H]3C(=O)OC(=O)[C@H]31)[C@@H]1C=CC=C[C@@H]12 257356261 HCBQGDAJLBYALR-ZCCOGUBOSA-N 274.272 0.854 50 50 CCGA OB(O)c1c(F)cc(OC2CCOCC2)cc1F 675050487 KZZBQXPFYMQAOY-UHFFFAOYSA-N 258.029 0.202 50 50 CCGA CCOC(=O)NN[C@H]1CC(=O)N(c2ccccc2)C1=O 527324 UKOLNZNNYSMAPW-JTQLQIEISA-N 277.280 0.569 50 50 CCGA O=C1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)CBr 43199185 MUSWXNNLMPQCEQ-KNVOCYPGSA-N 282.159 0.865 50 50 CCGA Cc1cc2cnn([C@H]3CCCCO3)c2cc1B(O)O 261507246 GUXWKNKXTGTVGQ-CYBMUJFWSA-N 260.102 0.724 50 50 CCGA COCOc1ccc(SC(F)(F)F)cc1B(O)O 169951625 UUYHJHRNKQGYOI-UHFFFAOYSA-N 282.048 0.961 50 50 CCGA CC(C)(C)OC(=O)N1CCC(n2cc(B(O)O)cn2)CC1 169905226 BDHMWOQIBZOHFK-UHFFFAOYSA-N 295.148 0.135 50 50 CCGA in-vitro C[C@@H](Cl)CCS(=O)(=O)N1CC(C(=O)O)C1 1616036093 HDTODQCDPSYSGQ-ZCFIWIBFSA-N 255.723 0.350 50 50 CCGA Cn1c(=O)oc2ccc(CNC(=O)CCl)cc21 12428015 GZEUDYXONRQQPG-UHFFFAOYSA-N 254.673 0.987 50 50 CCGA NNC(=O)c1ccc(Cn2cc(Br)cn2)o1 370421 ISHGXMALNZXARL-UHFFFAOYSA-N 285.101 0.890 50 50 CCGA O=C(Nc1cccc(B(O)O)c1)C(Cl)(Cl)Cl 169745519 RQEOGMVEBAPFSP-UHFFFAOYSA-N 282.319 0.675 50 50 CCGA in-vitro CN(C(=O)c1cccc(B(O)O)c1)C1CCCCC1 169794549 MFWBKTUXYRRWCS-UHFFFAOYSA-N 261.130 0.771 50 50 CCGA in-vitro OB(O)c1cnn(-c2cccc(C(F)(F)F)c2)c1 169968875 ADHPVFRVUDFITR-UHFFFAOYSA-N 255.992 0.571 50 50 CCGA CN1CCC(=NNC(=O)C(=O)NCc2ccco2)CC1 55433746 MFILDGHHXUSJEP-UHFFFAOYSA-N 278.312 0.094 50 50 CCGA NNC(=O)c1c(O)c2cccc3c2n(c1=O)CCC3 100298339 KYTIZMMPGZDQGZ-UHFFFAOYSA-N 259.265 0.257 50 50 CCGA COc1ccc(/C=N/NC(=O)CCCO)cc1OC 3159311 LORROBZIZOMAAS-NTEUORMPSA-N 266.297 0.926 50 50 CCGA N#C/C(=C\c1cccs1)C(=O)N[C@@H]1CCS(=O)(=O)C1 1449217 WILHBDUDJYKATA-OLKPEBQYSA-N 296.373 0.958 50 50 CCGA CC1(C)OB(c2ccc(C(=O)NN)cc2)OC1(C)C 169745826 GFZSUVMUIACQHK-UHFFFAOYSA-N 262.118 0.589 50 50 CCGA in-vitro CC(C)(C)NC(=O)c1cc(B(O)O)ccc1Cl 169745099 IKECDENKFPRPDM-UHFFFAOYSA-N 255.510 0.548 50 50 CCGA in-vitro O=C(NNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)c1ccccn1 877910936 SJGFQXUHWOBBAO-JBLDHEPKSA-N 275.308 0.658 50 50 CCGA Cn1cnc2c1c(=O)n(CCCCl)c(=O)n2C 19230175 JMOWKXFNJSTXBW-UHFFFAOYSA-N 256.693 0.063 50 50 CCGA in-vitro Nc1nonc1C(=O)N/N=C/c1c[nH]nc1-c1ccccc1 109176 MDNVPTYDUNHHCL-FRKPEAEDSA-N 297.278 0.806 50 50 CCGA CN1CCN(CC(=O)N/N=C\c2ccsc2)CC1 32691000 GIKJISRKVQWLHX-JYRVWZFOSA-N 266.370 0.446 50 50 CCGA OB(O)c1ccc(COCC(F)(F)F)cc1F 230529026 LPRWSORCGTWHLY-UHFFFAOYSA-N 251.972 0.584 50 50 CCGA COc1ccc(OC)c(CN2CCC[C@@H](C(=O)NN)C2)c1 4949165 XRUAGXKLHRBGIY-LLVKDONJSA-N 293.367 0.906 50 50 CCGA Clc1ccc([Si]23OCCN(CCO2)CCO3)cc1 195771136 IKFVTMCLFHXPQF-UHFFFAOYSA-N 285.803 0.865 50 50 CCGA CC(C)N1CCN2C(=O)[C@@H](NC(=O)[C@H](C)Cl)C[C@@H]2C1 1875375760 HSZVYBVWHOOPPV-AXFHLTTASA-N 287.791 0.423 50 50 CCGA CO/N=C(\C(=O)O)c1csc(NC(=O)CCl)n1 1081154 JVFVSVLCXCDOPD-SDQBBNPISA-N 277.689 0.756 50 50 CCGA CN(C)c1nc(N2CCOCC2)ncc1NC(=O)CCl 1875378199 XCTDRVBLIMVCKM-UHFFFAOYSA-N 299.762 0.557 50 50 CCGA CC(C)(C)OC(=O)n1nc(C(F)(F)F)cc1B(O)O 200975777 BOZJABNIBRHQGY-UHFFFAOYSA-N 280.011 0.365 50 50 CCGA O=C(NCc1ccc(B(O)O)cc1)C1CCCCC1 404993903 FPZOOSXPXXJOSY-UHFFFAOYSA-N 261.130 0.563 50 50 CCGA COc1ccc(O)c(C=NNC(=O)c2ccc(=O)[nH]n2)c1 252679826 RTFILTBTDXDZDA-UHFFFAOYSA-N 288.263 0.248 50 50 CCGA O=C(c1ccc(B(O)O)cc1F)N1CCCCC1 169745481 JEKPNGZOEOPRSH-UHFFFAOYSA-N 251.066 0.132 50 50 CCGA in-vitro O=C(NCc1ccccc1)c1ccc(B(O)O)cc1F 169745640 XTSLGOGQMXSTRK-UHFFFAOYSA-N 273.072 0.436 50 50 CCGA in-vitro NNC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)c1ccccc1 394022 CUDSVYDXQQXCSB-CQSZACIVSA-N 299.330 0.723 50 50 CCGA in-vitro N#Cc1ccc(B(O)O)cc1OCc1ccccc1 169951581 JLJDDZHKHBYMLO-UHFFFAOYSA-N 253.066 0.817 50 50 CCGA O=C(O)CCC(=O)NNc1ccccc1[N+](=O)[O-] 4656582 SHPVJNLKZALSLT-UHFFFAOYSA-N 253.214 0.903 50 50 CCGA O=C(CN1CCOCC1)NNC(=S)Nc1ccccc1 19798641 RNQDLQSKFLUEIT-UHFFFAOYSA-N 294.380 0.336 50 50 CCGA CC1CCN(CCOc2ccc(B(O)O)cc2)CC1 203199284 QDHQNALJDIAWKR-UHFFFAOYSA-N 263.146 0.477 50 50 CCGA OB(O)c1c(Br)cncc1Br 169794671 CCCKCHBPJIPSTG-UHFFFAOYSA-N 280.712 0.286 50 50 CCGA O=C(NNC(=S)NC(=O)C1CCC1)c1ccncc1 1775970444 BQRFXFSNTPDYKM-UHFFFAOYSA-N 278.337 0.517 50 50 CCGA C[C@@H](CNC(=O)OC(C)(C)C)Oc1ccc(B(O)O)cc1 390835914 ZYIFVVQIUZAJPP-JTQLQIEISA-N 295.144 0.658 50 50 CCGA Cn1nccc1-c1[nH]nnc1CNC(=O)CCl 1875375137 RYHCACXDLSFYEI-UHFFFAOYSA-N 254.681 0.060 50 50 CCGA O=P(O)(O)CCOCCOCCBr 96308244 NKJZEERRSMGNLG-UHFFFAOYSA-N 277.051 0.592 50 50 CCGA in-vitro CNC(=S)NNC(=O)Cc1ccc(OC)c(OC)c1 8828977 BWNFLOFDBUIEQC-UHFFFAOYSA-N 283.353 0.371 50 50 CCGA C[C@H](Cl)C(=O)N1C[C@H](F)C[C@H]1C(=O)N1CCOCC1 1875380122 FWJMAVNEQYJBDM-AEJSXWLSSA-N 292.738 0.412 50 50 CCGA OB(O)c1cc2nnn(C3CCCCC3)c2cc1F 170001982 XVPSCKXXUVSQPL-UHFFFAOYSA-N 263.081 0.755 50 50 CCGA Cc1cc([N+](=O)[O-])cc2c1NC(=O)/C2=N\NC(N)=O 4962761 HKKPVKBUWPFZJK-UHFFFAOYSA-N 263.213 0.228 50 50 CCGA O[C@@H](CCl)COCC#CCOC[C@@H](O)CCl 5112687 FPNVDCLFXCGXLH-UWVGGRQHSA-N 271.140 0.222 50 50 CCGA O[C@H]1C=C[C@@H](O)[C@H](Br)[C@@H]1Br 252427729 DHMGPRNBMJDWOM-GUCUJZIJSA-N 271.936 0.805 50 50 CCGA N#Cc1ccc(NC(=O)c2ccc(B(O)O)cc2)cc1 1775954693 LYNSIXPFFJSTHC-UHFFFAOYSA-N 266.065 0.490 50 50 CCGA CC(C)(C)OC(=O)n1c(B(O)O)cc2ccc(C#N)cc21 169745215 CZEBTZMIQZVUSE-UHFFFAOYSA-N 286.096 0.976 50 50 CCGA in-vitro O=C(O)CN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Cl)[C@H]3Cl)[C@@H]2C1=O 239222084 UIPJPKGVZBWUTQ-BKINIXOPSA-N 292.118 0.537 50 50 CCGA Cn1cc(C(=O)NNC(=O)c2ccn(C3CCC3)n2)cn1 2325804404 KZYOEVLIOZZUBA-UHFFFAOYSA-N 288.311 0.416 50 50 CCGA Cc1cnc([C@@H](C)Oc2cccc(B(O)O)c2C=O)o1 2325826102 OWPJUMKLNQLFBA-SECBINFHSA-N 275.069 0.615 50 50 CCGA CS(=O)(=O)NCc1cccc(CNC(=O)CCl)c1 1875368654 IISGMKJADJPKMA-UHFFFAOYSA-N 290.772 0.591 50 50 CCGA O=C(CCl)N1CCN(C(=O)CC(F)(F)F)CC1 1875364968 ZUUBHARAMDXBSV-UHFFFAOYSA-N 272.654 0.848 50 50 CCGA Cc1c(Cl)cccc1NC(=O)C(=O)NNC(N)=O 5678391 OSBUBJDWNHNXLA-UHFFFAOYSA-N 270.676 0.286 50 50 CCGA Cc1ccsc1/C=N/NC(=O)CC1=NNC(=O)C1 100706742 AJELNUFEGDUCRD-WUXMJOGZSA-N 264.310 0.773 50 50 CCGA C[C@@H](Cl)C(=O)N1CCC[C@H](N2CCNC2=O)C1 1875363633 OMBDMMCQTVRGTG-BDAKNGLRSA-N 259.737 0.630 50 50 CCGA OB(O)c1ccc(OCCCN2CCCC2)c(F)c1 203574926 ZNQBDVFMXFSDFB-UHFFFAOYSA-N 267.109 0.370 50 50 CCGA O=Cc1c(OCc2cnc(Cl)s2)cccc1B(O)O 2325827138 WLIPSKZHAYVQTC-UHFFFAOYSA-N 297.528 0.868 50 50 CCGA OB(O)c1cc(F)c(OCC(F)(F)F)c(F)c1 170001672 UIKMLVDAPAHIPY-UHFFFAOYSA-N 255.935 0.586 50 50 CCGA Cc1cc(C)n(CC[Si]23OCCN(CCO2)CCO3)n1 198039116 MSMKMLNAMXINBX-UHFFFAOYSA-N 297.431 0.818 50 50 CCGA CCOC(=O)c1cc(Br)cc(B(O)O)c1 169745759 KNUQTRXBSGKILE-UHFFFAOYSA-N 272.891 0.306 50 50 CCGA in-vitro COc1ccc(/C=N/NC(=O)c2cnccn2)cc1O 175380 HKFPOMXISLDIPM-FRKPEAEDSA-N 272.264 0.955 50 50 CCGA C[C@@H](Cl)C(=O)NC[C@]1(CO)COCC2(CCC2)N1C 1875366836 JIWOWSUMCLJDHW-MFKMUULPSA-N 290.791 0.346 50 50 CCGA CNC(=O)CN1CCC(CN(C)C(=O)CCl)CC1 1875364260 MDLLCKDHJFNXDK-UHFFFAOYSA-N 275.780 0.142 50 50 CCGA O=C(NCc1ccco1)C(=O)N/N=C1/C[C@@H]2C=CC[C@@H]12 137420666 HUMHQSRFGIXLDJ-ZTZWZQOXSA-N 273.292 0.964 50 50 CCGA C[C@@H](O)CCC(=O)N/N=C/c1ccc(O)cc1O 3105706 VDXICKXUHSQMGH-OREIZAMCSA-N 252.270 0.709 50 50 CCGA O=C(N/N=C/c1ccco1)C(=O)N/N=C/c1ccco1 1686767 DBUJHALECBISBY-FNCQTZNRSA-N 274.236 0.473 50 50 CCGA OB(O)c1cc(C(F)(F)F)ccc1N1CCOCC1 230526516 PKSKZLUJIHEPCZ-UHFFFAOYSA-N 275.035 0.222 50 50 CCGA COc1ccc(CCCC(=O)NCC(=O)NN)cc1 57291781 ROZRGUSHGISRJE-UHFFFAOYSA-N 265.313 0.124 50 50 CCGA CC1(C)CO[Si]2(CCl)OCCN1CCO2 169872734 UUAJXEFNSAXRBF-UHFFFAOYSA-N 251.786 0.861 50 50 CCGA O=C(NC1CCCCC1)c1ccc(B(O)O)cc1F 169745611 GUPNXIZRUYJZEV-UHFFFAOYSA-N 265.093 0.568 50 50 CCGA in-vitro CCOC(=O)NNC(=O)CN1C(=O)c2ccccc2C1=O 2546586 BBFRLHKWZCZTAV-UHFFFAOYSA-N 291.263 0.060 50 50 CCGA C[C@@H](Cl)C(=O)N(CCO)CCOc1ccccn1 1875376259 QEQSEHCVCABOND-SNVBAGLBSA-N 272.732 0.909 50 50 CCGA CCCCN1C(=O)[C@H]2CC/C(=N/NC(N)=O)C[C@H]2C1=O 22107745 PTNCTRNBOHXHJV-BZOOZNIZSA-N 280.328 0.596 50 50 CCGA C[C@H](Cl)C(=O)N1CCCN(C(=O)[C@@H]2CCCO2)CC1 1875364918 YAOANYHRAPEMQH-QWRGUYRKSA-N 288.775 0.854 50 50 CCGA OB(O)c1c(F)cc(Cl)cc1Br 1772820901 FLBOJJPUUNTDGU-UHFFFAOYSA-N 253.263 0.921 50 50 CCGA O=C(CN1CCSCC1)N/N=C/c1cccc(O)c1 4990348 UGDNQCLPGSLARM-NTEUORMPSA-N 279.365 0.891 50 50 CCGA CC1=NNC(=O)[C@H]1CC(=O)N/N=C/c1ccc(O)cc1O 100151471 VJCJIWIANYGYTE-XPWNQWCVSA-N 290.279 0.060 50 50 CCGA CCN(CC)C(=O)c1ccc(B(O)O)cc1Cl 169745465 CRFVBNBIELTWGR-UHFFFAOYSA-N 255.510 0.502 50 50 CCGA in-vitro C[C@H]1CN(C(=O)CCl)CCN1C(=O)c1cnn(C)c1 1875367705 GRTWARVZKOUSMW-VIFPVBQESA-N 284.747 0.332 50 50 CCGA Cn1cc([C@@H]2NC(=O)CC[C@H]2NC(=O)CCl)cn1 1875375171 SWSOKQMZOCZAIV-KCJUWKMLSA-N 270.720 0.095 50 50 CCGA C[C@@H](Oc1ccccc1)C(=O)NNC(=O)c1cnccn1 432883 OEALTUIFWQRUKJ-SNVBAGLBSA-N 286.291 0.705 50 50 CCGA O=Cc1cccc(B(O)O)c1OCc1ccccc1 169978154 IITREVBIIYAMMS-UHFFFAOYSA-N 256.066 0.758 50 50 CCGA CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NNC(=O)C1CC1 261361090 HEXOUDJJFVEROS-SNVBAGLBSA-N 297.355 0.943 50 50 CCGA CN(C(=O)CCl)[C@@H]1CS(=O)(=O)C12CCOCC2 1875374640 BLOVSVNPENYIOA-MRVPVSSYSA-N 281.761 0.030 50 50 CCGA Cc1ccc(B(O)O)c(N)c1C(=O)OC(C)(C)C 198784351 XXLXMTMTFQMVOW-UHFFFAOYSA-N 251.091 0.212 50 50 CCGA CC(=O)OCC12C3[C@H]4C5[C@H]6C(=O)OC(=O)[C@H]6C([C@H]41)[C@@H]2[C@H]53 254487363 GNHPPKXQCPPJMX-DZHVZCIZSA-N 274.272 0.233 50 50 CCGA Cn1nccc1C(=O)NNC(=O)c1cccs1 40066 HFJLAFVTBQOZBL-UHFFFAOYSA-N 250.283 0.556 50 50 CCGA CCOc1ccccc1NC(=O)NCC(=O)NN 397517 WGEMEBPAWOWPMO-UHFFFAOYSA-N 252.274 0.197 50 50 CCGA CN(Cc1cccc(B(O)O)c1)C(=O)OC(C)(C)C 252479216 BBGBFHMPNVVNMG-UHFFFAOYSA-N 265.118 0.733 50 50 CCGA O=C(c1ccc(B(O)O)cc1Cl)N1CCCC1 169745411 YKSBQRHXLMQAEJ-UHFFFAOYSA-N 253.494 0.256 50 50 CCGA in-vitro CCCOc1cc(Br)ccc1B(O)O 169964777 DNQCJHQDKFIFQG-UHFFFAOYSA-N 258.908 0.918 50 50 CCGA C[C@H]1CC[C@@H](C)CN1C(=O)c1cccc(B(O)O)c1 584954496 LMLHRLARKDSXPD-MNOVXSKESA-N 261.130 0.627 50 50 CCGA C[C@H](Cl)C(=O)N1CCN(Cc2ccnn2C)CC1 1875376305 RYPQQJZDFPVVML-JTQLQIEISA-N 270.764 0.692 50 50 CCGA O=C(NNC(=O)[C@H]1CCOC1)c1ccnc(C2CC2)n1 754344303 PHFXPAKXTPKGEI-VIFPVBQESA-N 276.296 0.152 50 50 CCGA COc1ccc(OC)c(-c2cc(C(=O)NN)[nH]n2)c1 406573 ZOIUTMXIUJFXCZ-UHFFFAOYSA-N 262.269 0.697 50 50 CCGA in-vitro O=C(CCBr)N1CCS(=O)(=O)CC1 5494892 HHJSIWNSNQHMSN-UHFFFAOYSA-N 270.148 0.028 50 50 CCGA CN(C(=O)c1ccc(B(O)O)cc1F)C1CCCCC1 169744233 CPCYWLKLWLSVGZ-UHFFFAOYSA-N 279.120 0.910 50 50 CCGA CCOc1cc(B(O)O)cc(C(F)(F)F)c1F 169955443 IMPXHVASTNGBSE-UHFFFAOYSA-N 251.972 0.923 50 50 CCGA CCC(F)(F)CCNC(=O)c1ccc(B(O)O)c(C=O)c1 2325873697 QFWQPVHXISIHAQ-UHFFFAOYSA-N 299.082 0.344 50 50 CCGA OB(O)c1cnc(OCc2ccccc2)c(Cl)c1 170002583 PITCWUOJJWUOKF-UHFFFAOYSA-N 263.489 0.994 50 50 CCGA O=S(=O)(c1ccc(B(O)O)cc1)C1CCCC1 170002043 UXPQPYAEXRTCAM-UHFFFAOYSA-N 254.116 0.083 50 50 CCGA OB(O)c1cnn(-c2c(Cl)cccc2Cl)c1 169747672 AINBYBFLMMGXBO-UHFFFAOYSA-N 256.885 0.859 50 50 CCGA in-vitro C[C@H]1CC[C@H](C)N(C(=O)c2ccc(B(O)O)cc2)C1 584953300 AXFWGYVCRRYTJS-QWRGUYRKSA-N 261.130 0.627 50 50 CCGA NNC(=O)C1CCN(c2ccc(Cl)nn2)CC1 168690 PBPIMJLCUGTDKD-UHFFFAOYSA-N 255.709 0.336 50 50 CCGA CCN1CCN([C@@H](C)c2ccc(B(O)O)cc2)CC1 230542370 FQQVUWSIBVUGBO-LBPRGKRZSA-N 262.162 0.065 50 50 CCGA CN(C)[C@H]1CS(=O)(=O)C(C#N)=CN1Nc1ccccc1 253495632 LKSMGSZAKTWKCC-CYBMUJFWSA-N 292.364 0.997 50 50 CCGA Cc1ccc(NC(=O)c2cccc(B(O)O)c2)cc1 169903885 CCZJEJMKNHPTNG-UHFFFAOYSA-N 255.082 0.927 50 50 CCGA in-vitro O=C(N/N=C/c1ccc(O)c(O)c1)c1cnccn1 549624 RQMPTZCZXMCLRC-GIDUJCDVSA-N 258.237 0.652 50 50 CCGA CC(C)CNC(=O)c1cc(B(O)O)ccc1Cl 169744320 OLISGFCIGVUDOJ-UHFFFAOYSA-N 255.510 0.406 50 50 CCGA Cn1nc([N+](=O)[O-])c(C(=C=N)C#N)c(Cl)c1=O 334157842 SPMQOYBWVUFUJS-UHFFFAOYSA-N 253.605 0.497 50 50 CCGA COc1cccc(NC(=O)c2cc(F)cc(B(O)O)c2)c1 169744361 KDPPGALDQLUDGZ-UHFFFAOYSA-N 289.071 0.766 50 50 CCGA O=[N+]([O-])c1cc(B(O)O)c(F)c(C(F)(F)F)c1 169955257 JLECLSFKCRIQKN-UHFFFAOYSA-N 252.916 0.433 50 50 CCGA COC(=O)C(=O)NNC(=O)c1ccccc1Cl 78326715 HBHNJVAYZMBNOH-UHFFFAOYSA-N 256.645 0.274 50 50 CCGA COc1ccccc1NC(=O)c1cc(F)cc(B(O)O)c1 169744307 MVZWPUYOUMGEGY-UHFFFAOYSA-N 289.071 0.766 50 50 CCGA O=C(CC(=O)N/N=C/c1ccco1)N/N=C/c1ccco1 1880491 LJIGZIILRDTVPO-VOMDNODZSA-N 288.263 0.863 50 50 CCGA CCn1cnnc1[C@@H]1CN(C(=O)[C@H](C)Cl)CCO1 1875380761 YXZVUAUQOPXECG-IUCAKERBSA-N 272.736 0.825 50 50 CCGA O=C(CCl)NCCN1C(=O)Cc2ccccc21 1319785770 LPLLAYSIJMBXCD-UHFFFAOYSA-N 252.701 0.931 50 50 CCGA CC(C)(C)NC(=O)c1ccc(B(O)O)cc1Cl 169745081 RFTCLOPBDGFPDR-UHFFFAOYSA-N 255.510 0.548 50 50 CCGA in-vitro N#C/C(=C/c1cc2c(cc1[N+](=O)[O-])OCO2)C(N)=O 588103 UAEKMEVZWPTWHZ-XFSBKJJWSA-N 261.193 0.716 50 50 CCGA O=C(Nc1cccnc1)c1ccc(B(O)O)cc1F 169744166 WKSIKJKMFBLBOZ-UHFFFAOYSA-N 260.033 0.153 50 50 CCGA COc1ccccc1NC(=O)c1cccc(B(O)O)c1F 169744709 WXIJEGZKCPQNJD-UHFFFAOYSA-N 289.071 0.766 50 50 CCGA COc1ccc(CNC(=O)CNC(=O)CCl)cc1 1324707661 YNCKKCSJVGODOJ-UHFFFAOYSA-N 270.716 0.666 50 50 CCGA Cc1cc(C(=O)NNC(=S)NC[C@H]2CCCO2)no1 609214 ICTMTZHFUNRQSA-MRVPVSSYSA-N 284.341 0.271 50 50 CCGA CC(=O)OC[C@@]12CC[C@@H](O1)[C@@H]1C(=O)OC(=O)[C@]12C 229945135 HWSYCHFKYRCGOS-VZJNWSLWSA-N 254.238 0.187 50 50 CCGA C[C@@H]1CN(C)[C@H](C)[C@@H](/C=C(\C#N)C(N)=S)C1=O 245242153 DDJDOUUUOIGZKM-XXYXNMBQSA-N 251.355 0.878 50 50 CCGA OB(O)c1ccc(CCO[C@H]2CCCCO2)cc1 169864718 HICMGZMCEXKDKB-ZDUSSCGKSA-N 250.103 0.452 50 50 CCGA in-vitro O=C(CCl)N[C@H]1CS(=O)(=O)C12CCCCC2 1875375184 UCMAPBFLHLPPJR-QMMMGPOBSA-N 265.762 0.841 50 50 CCGA CC(C)(C)OC(=O)NCc1ccc(B(O)O)cc1F 203791455 SAYNYRGHIRMQPN-UHFFFAOYSA-N 269.081 0.530 50 50 CCGA Cn1cc([C@H]2C[C@H](NC(=O)CCl)CCO2)cn1 1875374673 CIDOOLDWUBEIPL-NXEZZACHSA-N 257.721 0.995 50 50 CCGA COc1ccc2nc(C(F)(F)F)cc(B(O)O)c2c1 170002120 NXWRVQDMXSGLCN-UHFFFAOYSA-N 271.003 0.942 50 50 CCGA O=C(CBr)N1CCC2(CC1)CNCCO2 675051937 YCRPLDSOXHXBFG-UHFFFAOYSA-N 277.162 0.362 50 50 CCGA OB(O)c1ccc(OC(F)(F)F)c2ncccc12 169904309 ZDAZERWIWJDFAV-UHFFFAOYSA-N 256.976 0.813 50 50 CCGA in-vitro N#C/C(=C\c1ccccc1)C(=O)N[C@H]1CCC(=O)NC1=O 1857798253 XVMNZKSXKSVGGX-OBIHZWKSSA-N 283.287 0.515 50 50 CCGA COc1ccc(Oc2nc(B(O)O)cs2)cc1 170001603 DZWJOOJSPBRNRR-UHFFFAOYSA-N 251.072 0.624 50 50 CCGA COc1ccc(C(=O)OCC(C)(C)C)c(B(O)O)c1 197980708 GNSKLGLSBOFRQO-UHFFFAOYSA-N 266.102 0.578 50 50 CCGA C[C@@H]1C[C@@H](NC(=O)CCl)C(=O)N1c1cnn(C)c1 1323269026 ITLZGOCOLTZXIH-VXNVDRBHSA-N 270.720 0.269 50 50 CCGA Cc1cccc(CNC(=O)c2ccc(B(O)O)cc2F)c1 169744017 WDPAKPGZYPVREC-UHFFFAOYSA-N 287.099 0.744 50 50 CCGA NNC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 4600541 CVBUBNCMYUNOGC-SSDOTTSWSA-N 253.689 0.683 50 50 CCGA CN(c1ccccc1)S(=O)(=O)c1cccc(B(O)O)c1 169744416 LQZLHQGOBLQKOM-UHFFFAOYSA-N 291.137 0.192 50 50 CCGA CC(C)(C)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)NN 252493942 NGZDAAJSYJXBMC-LLVKDONJSA-N 279.340 0.456 50 50 CCGA Cc1cc(C)n(-c2ccc(SCC(=O)NN)nn2)n1 524732295 HTBIZJZWHYIUTO-UHFFFAOYSA-N 278.341 0.361 50 50 CCGA CN(C(=O)c1ccc(B(O)O)cc1)c1ccccc1 202558577 UGYPOYBNYVOGBD-UHFFFAOYSA-N 255.082 0.643 50 50 CCGA O=S(=O)(O)CCSSCCS(=O)(=O)O 3922156 BYUKOOOZTSTOOH-UHFFFAOYSA-N 282.386 0.143 50 50 CCGA world COc1ccc(Cl)c(B(O)O)c1Br 169745507 PEEJEHWBRGQIAD-UHFFFAOYSA-N 265.299 0.791 50 50 CCGA COc1cc(COc2cccc(B(O)O)c2)cc(OC)c1 169877123 AJLNRXRMGFVLDN-UHFFFAOYSA-N 288.108 0.963 50 50 CCGA CCCCn1c(C)nc2cc(C#N)cc(B(O)O)c21 170002056 OQKMZRDNNFNIEP-UHFFFAOYSA-N 257.102 0.696 50 50 CCGA OB(O)c1ccc(Br)c(F)c1Cl 1857783253 GJRJYQHUDQQQAL-UHFFFAOYSA-N 253.263 0.921 50 50 CCGA Nc1nonc1C(=O)N/N=C/c1ccccc1[N+](=O)[O-] 436399 GXCXELRGRGZLSS-LFYBBSHMSA-N 276.212 0.324 50 50 CCGA C[C@H](NC(=O)OC(C)(C)C)c1cccc(B(O)O)c1 202662128 MMNFWTJSRQPICN-VIFPVBQESA-N 265.118 0.952 50 50 CCGA Cc1cc(NNC(=O)c2cnc3[nH]cnc3c2)ncn1 764270632 FGSDXYDHPWRLNA-UHFFFAOYSA-N 269.268 0.813 50 50 CCGA CC(=O)NS(=O)(=O)c1ccc(NC(=O)CCl)cc1 5383101 DVYZZCCUUTXKAN-UHFFFAOYSA-N 290.728 0.689 50 50 CCGA O=C(NCC1CCCCC1)c1cc(F)cc(B(O)O)c1 169747174 SBEHLWBETDBHLX-UHFFFAOYSA-N 279.120 0.816 50 50 CCGA CC1(CC(=O)N/N=C/c2ccc([N+](=O)[O-])o2)OCCO1 177184 RNKDPUKTUMAUQG-KPKJPENVSA-N 283.240 0.791 50 50 CCGA C=CCNC(=S)NNC(=O)c1cccc(O)c1 4601214 KDHNQIHXNNSFLQ-UHFFFAOYSA-N 251.311 0.687 50 50 CCGA O=C(NC1CCCCC1)c1cccc(B(O)O)c1F 169744658 SQWLVBQWJBZWPK-UHFFFAOYSA-N 265.093 0.568 50 50 CCGA CCCN(CCC)C(=O)c1cccc(B(O)O)c1F 169744682 KCFYHEWLVGDHBH-UHFFFAOYSA-N 267.109 0.768 50 50 CCGA O=C(O)CCCCOc1c(F)cc(F)c(B(O)O)c1F 169904075 VITMYQUXGWOXGS-UHFFFAOYSA-N 292.018 0.417 50 50 CCGA O=C(OCc1ccccc1)c1cccc(B(O)O)c1 169745136 JJEBLYAGYRLJRG-UHFFFAOYSA-N 256.066 0.723 50 50 CCGA in-vitro Cc1cc(C(F)(F)F)n(-c2ccc(B(O)O)cn2)n1 170002214 BRMMKUVXGZCAPB-UHFFFAOYSA-N 271.007 0.274 50 50 CCGA CC1=C[C@H]2[C@@H]3C(=O)OC(=O)[C@@H]3[C@H]1[C@@H]1[C@@H]3C(=O)OC(=O)[C@H]3[C@@H]21 252430795 KLCJBGADIXBIIG-HJXJCVGKSA-N 288.255 0.070 50 50 CCGA O=C(CCl)NC[C@H]1CS(=O)(=O)c2ccccc21 1875367845 RVEZFTJQMMEYOQ-QMMMGPOBSA-N 273.741 0.913 50 50 CCGA CCO[Si](CCCNCCN)(OCC)OCC 169745677 INJVFBCDVXYHGQ-UHFFFAOYSA-N 264.442 0.973 50 50 CCGA in-vitro C/C(=N\NC(=O)c1ccc(=O)[nH]n1)c1cccs1 5062037 SERKGQHSKBVYFS-KPKJPENVSA-N 262.294 0.985 50 50 CCGA CC(C)(O)C(=O)NNC(=O)Nc1ccc([N+](=O)[O-])cc1 5041501 XUMXNKCZQLIUMI-UHFFFAOYSA-N 282.256 0.518 50 50 CCGA CNC(=S)NNC(=O)COc1ccc(F)cc1Cl 2853400 MBQSSXCITIHMGX-UHFFFAOYSA-N 291.735 0.983 50 50 CCGA Cc1nc(C)n(C[C@@H]2CN(C(=O)[C@@H](C)Cl)CCO2)n1 1875364758 SWEZOXKQVGZOAQ-KCJUWKMLSA-N 286.763 0.750 50 50 CCGA OB(O)c1cc(Br)c2cccnc2c1F 1772572507 AIKPYEVOTLGSKM-UHFFFAOYSA-N 269.866 0.816 50 50 CCGA N#CC(C#N)=C(N)/C(C#N)=C/c1cc(O)c(O)c(O)c1 14233546 JKNOYWVMHPMBEL-UNXLUWIOSA-N 268.232 0.970 50 50 CCGA in-vitro CC(C)(C)OC(=O)N1CCOc2ccc(B(O)O)cc21 169955637 TWQCRBQJOUVYBQ-UHFFFAOYSA-N 279.101 0.500 50 50 CCGA O=C(N/N=C/c1ccccc1O)C(=O)N1CCCC1 2901000 FFROGRUGXPGVAO-NTEUORMPSA-N 261.281 0.465 50 50 CCGA O=C(Nc1ccccc1F)c1cccc(B(O)O)c1 169743991 WNFWVITXDBHCTD-UHFFFAOYSA-N 259.045 0.758 50 50 CCGA in-vitro CC(=O)O[C@@H]1[C@H](Cl)OC[C@@H](OC(C)=O)[C@H]1OC(C)=O 17423238 JWDUFIUUDGFMTM-CHWFTXMASA-N 294.687 0.377 50 50 CCGA COc1c(B(O)O)cc(Br)c(F)c1F 169934382 IBSPNDUNUBIEKB-UHFFFAOYSA-N 266.834 0.416 50 50 CCGA in-vitro C[C@@H](Cl)C(=O)N(C)C1CCS(=O)(=O)CC1 694157717 YVEKYYZAYMRHPK-SSDOTTSWSA-N 253.751 0.649 50 50 CCGA O=C(CCl)NCCNc1ccc([N+](=O)[O-])cn1 206091308 WSCNZITVACGXOQ-UHFFFAOYSA-N 258.665 0.757 50 50 CCGA C[C@@H](Cl)C(=O)Nc1ccc(S(N)(=O)=O)cc1 3337400 CSFIQGHVRLMMHX-ZCFIWIBFSA-N 262.718 0.900 50 50 CCGA CCCOc1ccccc1C(=O)NNC(N)=S 5063803 GLEBHEUNYUPMTG-UHFFFAOYSA-N 253.327 0.953 50 50 CCGA Cc1[nH]nc(O)c1CC(=O)N/N=C/c1ccc(O)cc1O 229897 MRRVSKFQQGVUQA-MKMNVTDBSA-N 290.279 0.528 50 50 CCGA CN1CCC(=NNC(=O)C(=O)Nc2ccc(F)cc2)CC1 55433629 HUSVODBQXJDLAB-UHFFFAOYSA-N 292.314 0.962 50 50 CCGA Cc1cc(=O)n(C)c(=O)n1C[C@@H](C)Br 337132 YCIBFTWNCRIOGO-ZCFIWIBFSA-N 261.119 0.639 50 50 CCGA COc1cc(OC)c2cc(C(=O)NN)[nH]c2c1OC 34925384 WIWGBQSUHAWLML-UHFFFAOYSA-N 265.269 0.797 50 50 CCGA C[C@H]1CCCN(C(=O)c2cc(B(O)O)ccc2Cl)C1 169744249 ORXLNADDLISLFV-VIFPVBQESA-N 281.548 0.892 50 50 CCGA C#CCNC(=O)N/N=c1/sc2ccccc2n1C 127176549 WQPANEVXWLBTLA-NTCAYCPXSA-N 260.322 0.988 50 50 CCGA CO[Si](CCC[C@@H]1CC(=O)OC1=O)(OC)OC 195997768 ZADOWCXTUZWAKL-MRVPVSSYSA-N 262.334 0.734 50 50 CCGA Nc1ccccc1C(=O)NNC(=S)NC(=O)C1CCC1 1616032501 ULCKUASUTZTPHF-UHFFFAOYSA-N 292.364 0.704 50 50 CCGA C[C@H]1CCCCN1C(=O)c1cc(B(O)O)ccc1F 169744115 OAIXSFCCIQOGKW-VIFPVBQESA-N 265.093 0.520 50 50 CCGA Cn1cccc1/C=N\NC(=O)Cn1nnc2ccccc21 32617922 GDNZQKFPNHKEGJ-DHDCSXOGSA-N 282.307 0.920 50 50 CCGA CC1CCN(Cc2cc(B(O)O)ccc2F)CC1 230527104 QAKQIFKSHLOVAB-UHFFFAOYSA-N 251.110 0.737 50 50 CCGA CCOc1ccc(C(F)(F)F)c(F)c1B(O)O 169955228 FWJDNBLYKZDOPF-UHFFFAOYSA-N 251.972 0.923 50 50 CCGA COc1ccc(C(=O)OC(C)(C)C)c(B(O)O)c1 198087030 CTIOQISLJFDJQX-UHFFFAOYSA-N 252.075 0.330 50 50 CCGA in-vitro CNC(=O)c1ccn([C@H]2CCCN(C(=O)CCl)C2)n1 1875367683 DMSOOJJWZTUNCV-VIFPVBQESA-N 284.747 0.645 50 50 CCGA CC(C)N1CCN2C(=O)[C@H](NC(=O)[C@H](C)Cl)C[C@@H]2C1 1875375763 HSZVYBVWHOOPPV-HBNTYKKESA-N 287.791 0.423 50 50 CCGA NNC(=O)c1cccc(I)n1 4352708 SCUAHTXSISUBKA-UHFFFAOYSA-N 263.038 0.290 50 50 CCGA in-vitro CCOc1ccccc1N1CCN(CC(=O)NN)CC1 55554719 WGPQKHCWNCNAFS-UHFFFAOYSA-N 278.356 0.197 50 50 CCGA C[C@@H](Cl)C(=O)N[C@]1(C(N)=O)CCOc2ccccc21 1875364364 OYHUNRUGSWWBIQ-AMIZOPFISA-N 282.727 0.893 50 50 CCGA C[C@@H](Cl)C(=O)NC[C@H](N1CCOCC1)C(F)(F)F 1875377977 SKZOJCLJUVOQQJ-SFYZADRCSA-N 288.697 0.993 50 50 CCGA CC(C)NC(=O)C(=O)N/N=C/c1ccc2c(c1)OCO2 2901726 UUTAQADOEUQNDP-MKMNVTDBSA-N 277.280 0.390 50 50 CCGA CCn1cc([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H](C)Cl)cn1 1875380014 CCAOCADIUCSQFM-UISBYWKRSA-N 298.774 0.966 50 50 CCGA O=C(CCl)N1CCS(=O)(=O)[C@H]2CCCC[C@@H]21 1319674531 OGYJPXXGNZOTOG-IUCAKERBSA-N 265.762 0.793 50 50 CCGA O=C(Nc1ccccc1F)c1ccc(B(O)O)cc1 169745670 IMEVTROIYKNWMT-UHFFFAOYSA-N 259.045 0.758 50 50 CCGA in-vitro N#CC(=C1NCCCN1)c1nnc2n1CCCCC2 170610660 UBYJYLRURVOPPB-UHFFFAOYSA-N 258.329 0.780 50 50 CCGA COc1ccc(COc2cncc(B(O)O)c2)cc1 203524804 CBRUDPHHMCYUHX-UHFFFAOYSA-N 259.070 0.349 50 50 CCGA Cc1n[nH]c(NNC(=O)c2ccncc2)c1[N+](=O)[O-] 9668031 BDSVQGHVGYQZPB-UHFFFAOYSA-N 262.229 0.778 50 50 CCGA O=C(NNC(=O)c1ccc[nH]1)c1coc(C2CC2)n1 777231302 RBZITGCBZSECDP-UHFFFAOYSA-N 260.253 0.955 50 50 CCGA O=C1NC[C@@H](c2ccccc2)[C@H]1C(=O)N/N=C/c1ccc[nH]1 5028894 XIPYAHWWRRQGJF-RELIOFMUSA-N 296.330 0.995 50 50 CCGA C[C@@H](Cl)C(=O)N1CCC(n2cnc(C#N)n2)CC1 1875376137 NFWOOEOXBXAMSD-MRVPVSSYSA-N 267.720 0.941 50 50 CCGA CN(c1cccc(CNC(=O)CCl)c1)S(C)(=O)=O 1336887318 CAXFPBDRKJTWBZ-UHFFFAOYSA-N 290.772 0.937 50 50 CCGA O=C(NNC(=O)c1ccc2c(n1)CCC2)c1cnsn1 2325767697 BPOUXFFQKOGCGC-UHFFFAOYSA-N 289.320 0.497 50 50 CCGA COc1cccc(C(=O)NNC(=O)c2cnccn2)c1 290030 AESNQMLYFVSESW-UHFFFAOYSA-N 272.264 0.560 50 50 CCGA O=C(N/N=C/c1cccnc1)C(=O)N/N=C/c1cccnc1 2865083 IYISFJPLSDVRQB-BEQMOXJMSA-N 296.290 0.077 50 50 CCGA CCn1c(=O)c(C(=O)NNC(C)=O)c(O)c2ccccc21 100551196 KCWJQNXLJSVLSK-UHFFFAOYSA-N 289.291 0.508 50 50 CCGA C#CCN1CCCN(S(=O)(=O)CCCCl)CC1 1776005588 KRRHDFOFURMCEP-UHFFFAOYSA-N 278.805 0.586 50 50 CCGA O=Cc1ccc(OCc2ccccc2)cc1B(O)O 169978272 FEFDHTIODOFOKS-UHFFFAOYSA-N 256.066 0.758 50 50 CCGA in-vitro O=C(NC1CCCC1)c1ccc(Cl)c(B(O)O)c1 169744438 CNMRUPHWPBYVLT-UHFFFAOYSA-N 267.521 0.692 50 50 CCGA COc1ccc(C(=O)NNC(=O)[C@@H]2CCCO2)cc1 290067 HEIUUQGMOQAZJK-NSHDSACASA-N 264.281 0.635 50 50 CCGA Cn1cc([C@H]2C[C@@H](NC(=O)CCl)CCO2)cn1 1875374675 CIDOOLDWUBEIPL-VHSXEESVSA-N 257.721 0.995 50 50 CCGA NNC(=O)C[C@@H]1CC(c2ccc(Cl)cc2)=NN1 22015629 KZPYDMISIKSAGQ-VIFPVBQESA-N 252.705 0.786 50 50 CCGA CC1CCN(C(=O)c2ccc(Cl)c(B(O)O)c2)CC1 169744571 CRVSHJLZPLXNPZ-UHFFFAOYSA-N 281.548 0.892 50 50 CCGA O=C(O)CCC(=O)NNC(=O)c1ccccc1Cl 3158946 GGNHIJFHRLMJBK-UHFFFAOYSA-N 270.672 0.966 50 50 CCGA CC1=NNC(=O)[C@H]1CC(=O)N/N=C/c1cccc(O)c1 100609546 HAHGCFKDVGUIOA-NGPAHMQLSA-N 274.280 0.354 50 50 CCGA COc1cc(B(O)O)c(Cl)cc1Br 169745070 DMUAPYZFKLNZMJ-UHFFFAOYSA-N 265.299 0.791 50 50 CCGA in-vitro O=C(NC1CCCC1)c1ccc(B(O)O)c(Cl)c1 169744397 PMRFQBAGOYRVAJ-UHFFFAOYSA-N 267.521 0.692 50 50 CCGA C[C@H](Cl)C(=O)N(CCO)CCOc1ccccn1 1875376258 QEQSEHCVCABOND-JTQLQIEISA-N 272.732 0.909 50 50 CCGA O=C(Nc1cccc(F)c1)c1cccc(B(O)O)c1 169745418 OJAYVDZJZDGCFF-UHFFFAOYSA-N 259.045 0.758 50 50 CCGA in-vitro COc1ccc(Cl)c(Br)c1B(O)O 169901957 KZIQUUCAJBCHCK-UHFFFAOYSA-N 265.299 0.791 50 50 CCGA C[C@H](Cl)C(=O)N[C@H](C)Cn1cnc2c(cnn2C)c1=O 1875364013 HNHKBPNBZTTYIB-SFYZADRCSA-N 297.746 0.262 50 50 CCGA CC(=O)OC[C@@]12CC[C@@H](O1)[C@@H]1C(=O)OC(=O)[C@@]12C 169616682 HWSYCHFKYRCGOS-GAJNKVMBSA-N 254.238 0.187 50 50 CCGA CCN(CC)C(=O)C(=O)N/N=C/c1ccc(O)c(OC)c1 2892421 TWBWZJPYXWUQDX-OQLLNIDSSA-N 293.323 0.719 50 50 CCGA COc1cc(/C=N/NC(=O)[C@@H]2CCCNC2)ccc1O 263619743 QDPDGLOKSGWZKI-FNQVVVRFSA-N 277.324 0.851 50 50 CCGA O=Cc1cc(B(O)O)ccc1OCc1ccccc1 169839010 SELUMTHJWHLSBV-UHFFFAOYSA-N 256.066 0.758 50 50 CCGA in-vitro N#Cc1ccc(B(O)O)c(OCc2ccccc2)c1 169955551 XZRSYTVVAXXTTL-UHFFFAOYSA-N 253.066 0.817 50 50 CCGA COc1cc(/C=N/NC(=O)c2ccc(O)nn2)ccc1O 8830068 AMYPMGKRRGECJN-VGOFMYFVSA-N 288.263 0.660 50 50 CCGA CC1=NNC(=O)[C@H]1CC(=O)N/N=C/c1ccc(C)cc1 100609613 UCHHWMWUWDEBDK-AAWHYMEISA-N 272.308 0.957 50 50 CCGA CC[C@H](C)C(=O)N[C@H]1CS(=O)(=O)C[C@H]1Cl 238901361 LPTMDSYLRLZOTE-RNJXMRFFSA-N 253.751 0.553 50 50 CCGA COC(=O)c1cccc(B(O)O)c1OCc1ccccc1 675050484 KWXCWAFVQHXOPF-UHFFFAOYSA-N 286.092 0.732 50 50 CCGA O=C(Nc1ccccn1)c1cc(B(O)O)ccc1F 169744111 DJNCGHBHBJUZKA-UHFFFAOYSA-N 260.033 0.153 50 50 CCGA Cc1ccc(CNC(=O)c2ccc(F)c(B(O)O)c2)cc1 169744333 AIDVODUTOVGAKJ-UHFFFAOYSA-N 287.099 0.744 50 50 CCGA Cc1nn(C)c(NNC(=O)[C@@H]2C[C@]23CCOC3)c1C#N 1875344663 IMOGSKWOVXBOGS-GWCFXTLKSA-N 275.312 0.470 50 50 CCGA C[C@H](Cl)C(=O)NCc1ccnc(N2CCN(C)CC2)n1 1875366520 RRUXIWLODPRSRA-JTQLQIEISA-N 297.790 0.472 50 50 CCGA CN(C(=O)c1ccc(B(O)O)cc1)C1CCCCC1 169745118 HJTPGROLNSBJDQ-UHFFFAOYSA-N 261.130 0.771 50 50 CCGA in-vitro O=C(CCl)OCn1nnc2ccccc2c1=O 332838 BXWAJRNQZSWGOH-UHFFFAOYSA-N 253.645 0.531 50 50 CCGA O=C(NC1CCCCC1)c1cc(F)cc(B(O)O)c1 169745483 DYUMHPWTMLPIFV-UHFFFAOYSA-N 265.093 0.568 50 50 CCGA in-vitro O=C(NCc1ccccc1)c1ccc(F)c(B(O)O)c1 169745485 REOKRXJQZIVZIB-UHFFFAOYSA-N 273.072 0.436 50 50 CCGA N#Cc1c(OCc2ccccc2)cccc1B(O)O 170002047 MYMIJUGTRQUKPZ-UHFFFAOYSA-N 253.066 0.817 50 50 CCGA CC(C)CN1CCC[C@@H]1C(=O)NNC(=O)C(C)(C)O 952876806 FPUXSMIGTQFIFQ-SNVBAGLBSA-N 271.361 0.025 50 50 CCGA CN1CCO[C@H](CN(CC2CC2)C(=O)CCl)C1 1875366390 GNHVLOZIXTXLRG-NSHDSACASA-N 260.765 0.794 50 50 CCGA COc1c(Br)cc(Cl)cc1B(O)O 169951591 RLBSHQKQVPRDPZ-UHFFFAOYSA-N 265.299 0.791 50 50 CCGA CCOC(=O)NNS(=O)(=O)c1cnc(Cl)c(F)c1 496714534 IQGUUCPZBJBWJO-UHFFFAOYSA-N 297.695 0.814 50 50 CCGA CC(C)N1C(=O)N[C@]2(CCN(C(=O)[C@@H](C)Cl)C2)C1=O 1875380485 QJMOEOYTRUANJE-PELKAZGASA-N 287.747 0.545 50 50 CCGA O=C(CCl)N1CCS(=O)(=O)[C@@H]2CCCC[C@H]21 1319674536 OGYJPXXGNZOTOG-RKDXNWHRSA-N 265.762 0.793 50 50 CCGA OB(O)c1ccc(N2CCN(Cc3ccccc3)CC2)nc1 169989562 AGMCWMOMRSHAKH-UHFFFAOYSA-N 297.167 0.084 50 50 CCGA O=C(NNC(=O)c1cnc(C2CC2)[nH]1)c1ccccn1 1116695335 BLNITDLAXLVUMX-UHFFFAOYSA-N 271.280 0.757 50 50 CCGA Cc1ccccc1C(=O)NNC(=O)c1cnccn1 296367 RKYXOJZQCUKIPX-UHFFFAOYSA-N 256.265 0.860 50 50 CCGA C[C@H](Cl)C(=O)N(C)[C@@H]1COC[C@@H]1Oc1cnn(C)c1 1875375508 CMBWBUOCDKAZSY-GDPRMGEGSA-N 287.747 0.652 50 50 CCGA C[C@H](Cl)C(=O)N1CCC(CS(C)(=O)=O)CC1 309348016 MNXXUZLMMMMXCB-QMMMGPOBSA-N 267.778 0.897 50 50 CCGA COC(=O)[C@@]12C[C@@H]([C@@H]3C=CC=C[C@@H]31)[C@H]1C(=O)OC(=O)[C@H]12 257356260 HCBQGDAJLBYALR-RKZCOMOUSA-N 274.272 0.854 50 50 CCGA C[C@@H](Cl)C(=O)N(C)[C@@H]1COC[C@@H]1Oc1cnn(C)c1 1875375510 CMBWBUOCDKAZSY-IEBDPFPHSA-N 287.747 0.652 50 50 CCGA O=C(NNC(=O)C1CC1)c1coc(C2CCOCC2)n1 769675318 UKCXUBCZWPONKJ-UHFFFAOYSA-N 279.296 0.740 50 50 CCGA Cc1ccc2nc(-c3ccc(B(O)O)cc3)cn2c1 170002112 DJIJHEVZQXFNQS-UHFFFAOYSA-N 252.082 0.990 50 50 CCGA CCOc1cc2c(cc1B(O)O)ncn2C(C)(C)C 170002092 VHWOJWBAVBEXQH-UHFFFAOYSA-N 262.118 0.870 50 50 CCGA CCN(CCO)NC(=O)/C=C/c1ccc2c(c1)CCO2 585089623 NXOIEIDUDDFFTA-GQCTYLIASA-N 276.336 0.980 50 50 CCGA O=C(NNC(=O)N1CCOCC1)c1ccnc(C2CC2)n1 732655869 DYDFTVQDMNMMCX-UHFFFAOYSA-N 291.311 0.041 50 50 CCGA O=C(Nc1cccc(F)c1)c1ccc(F)c(B(O)O)c1 169744411 XUFYLZBKRBENSW-UHFFFAOYSA-N 277.035 0.897 50 50 CCGA CC1=C[C@H]([C@@H]2CC(=O)OC2=O)C[C@H]2C(=O)OC(=O)[C@@H]12 242463656 DGQOZCNCJKEVOA-OORONAJNSA-N 264.233 0.358 50 50 CCGA in-vitro CN(C(=O)OC(C)(C)C)c1cccc(B(O)O)c1 169746182 QFRSVPDEEDBLOS-UHFFFAOYSA-N 251.091 0.738 50 50 CCGA in-vitro C[C@@H](Cn1cnc2c(cnn2C)c1=O)NC(=O)[C@@H](C)Cl 1875364012 HNHKBPNBZTTYIB-JGVFFNPUSA-N 297.746 0.262 50 50 CCGA O=C(CCl)NC[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1875367753 JXWIHJFRMWRRDG-NXEZZACHSA-N 294.804 0.546 50 50 CCGA O=c1ccn(Cc2ccccc2)c(=O)n1C[C@@H](O)CCl 82986 FOCRJUGVGAKJCR-LBPRGKRZSA-N 294.738 0.658 50 50 CCGA CC(C)(C)OC(=O)N1CCOc2cc(B(O)O)ccc21 261361464 BTSFNYFIDQLMGP-UHFFFAOYSA-N 279.101 0.500 50 50 CCGA CCOc1c(Br)cc(C)cc1B(O)O 169748132 BTBLZNZUELXCOT-UHFFFAOYSA-N 258.908 0.836 50 50 CCGA in-vitro C[C@@H](Cl)C(=O)N1C[C@H](F)C[C@H]1C(=O)N1CCOCC1 1875380123 FWJMAVNEQYJBDM-BBBLOLIVSA-N 292.738 0.412 50 50 CCGA O=C(NNC(=O)[C@@H]1CCCO1)c1ccc(F)cc1 247539 ICGMBLPCUAZZDI-JTQLQIEISA-N 252.245 0.766 50 50 CCGA COc1ccccc1N1CCN(CCC(=O)NN)CC1 4982459 DILZZWHTUQZRGC-UHFFFAOYSA-N 278.356 0.197 50 50 CCGA OB(O)c1cc(Br)cnc1Br 169810485 CBWWZYPUCZRZGD-UHFFFAOYSA-N 280.712 0.286 50 50 CCGA in-vitro O=C(Nc1ccncc1)c1ccc(B(O)O)cc1F 169744192 AMRBHGONZSDJLK-UHFFFAOYSA-N 260.033 0.153 50 50 CCGA C[C@H](Cl)C(=O)N[C@@H]1CCC[C@H]1CNS(C)(=O)=O 1875376115 MQUITVBLPMINFF-XHNCKOQMSA-N 282.793 0.448 50 50 CCGA N#C/C(=C/c1ccc(N2CCNC(=O)C2)cc1)C(N)=O 221798354 KSMAGELECDKFQG-XFFZJAGNSA-N 270.292 0.015 50 50 CCGA O=C(N[C@H]1CC(=O)N(CC(F)(F)F)C1)[C@H](F)Cl 2325898594 NCWMLPUAYNKUOY-NJGYIYPDSA-N 276.617 0.800 50 50 CCGA Cc1cc(B(O)O)cnc1NC(=O)OC(C)(C)C 169989588 YEHXEJUMAMZEKC-UHFFFAOYSA-N 252.079 0.417 50 50 CCGA O=C(NNC(=O)[C@H]1C[C@@H]2CC[C@H](C1)O2)c1ccccn1 2325789402 NJPIXDAOIHZRAI-RTCCRHLQSA-N 275.308 0.800 50 50 CCGA COC(=O)C1=C[C@@H]2[C@H]3C=C[C@H]([C@@H]4C(=O)OC(=O)[C@H]43)[C@H]12 254708022 RLOCDRQSSNUEDF-LMNGOPRXSA-N 260.245 0.463 50 50 CCGA O=C(Nc1ccc(F)cc1)c1ccc(B(O)O)c(F)c1 169744492 TTXUUUQWZSHGQT-UHFFFAOYSA-N 277.035 0.897 50 50 CCGA CC(=O)OC[C@]12[C@@H]3[C@H]4[C@@H]5C(=O)OC(=O)[C@@H]5[C@@H]5[C@H]([C@H]41)[C@@H]2[C@H]35 254487365 GNHPPKXQCPPJMX-JMSYYRSMSA-N 274.272 0.233 50 50 CCGA CC(C)C[C@H](NC(=O)[C@H](C)Cl)C(=O)NCCN(C)C 1875303805 NRGXYQXCLPLCGV-QWRGUYRKSA-N 291.823 0.822 50 50 CCGA O=C(NNC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2)c1ncccn1 844586010 TWGITIVQNOEFIJ-OUAUKWLOSA-N 272.308 0.840 50 50 CCGA COC(=O)N(C)NC(=O)[C@H]1CC[C@@H]2CCCCN21 908115874 XNQJTKWBOLJZRF-VHSXEESVSA-N 255.318 0.733 50 50 CCGA C/C(C[C@@]1(O)C(=O)Nc2ccccc21)=N\NC(N)=O 22339931 MWQXRZDDPBUXLW-QNKXHIPISA-N 262.269 0.261 50 50 CCGA C[C@H](Cl)C(=O)NCC(=O)N(C)Cc1cccnc1 1875364680 QBSPQFNNYKZSAY-VIFPVBQESA-N 269.732 0.784 50 50 CCGA CCN(CC)C(=O)c1cc(B(O)O)ccc1Cl 169745089 JLDCVUGASMQNGS-UHFFFAOYSA-N 255.510 0.502 50 50 CCGA in-vitro Cn1cc(C(=O)N/N=C/c2ccc(O)cc2)ccc1=O 436293 OUWSDDQDSBMUDB-OVCLIPMQSA-N 271.276 0.855 50 50 CCGA NNC(=O)c1cccc(I)c1 47877 SSWUMULSRFHKKU-UHFFFAOYSA-N 262.050 0.895 50 50 CCGA in-vitro N#Cc1cc(B(O)O)c2c(c1)nnn2C1CCCCC1 170002203 AUUDZEYKOVYGCT-UHFFFAOYSA-N 270.101 0.488 50 50 CCGA CC(C)(C)OC(=O)NCc1cc(F)cc(B(O)O)c1 252493691 NFGIURVEHRMCIK-UHFFFAOYSA-N 269.081 0.530 50 50 CCGA COCC(=O)NNC(=S)Nc1ccc(F)cc1F 2856770 AIWNARYBBSDHRO-UHFFFAOYSA-N 275.280 0.929 50 50 CCGA N#CC1=C(N)Oc2nc[nH]c(=O)c2[C@@H]1c1ccccc1 8691864 IMGMDPKDQCYHJH-SNVBAGLBSA-N 266.260 0.988 50 50 CCGA COC(=O)N(C)NS(=O)(=O)c1cccc(F)c1F 241466043 NUCJSCQOTUCKAZ-UHFFFAOYSA-N 280.252 0.856 50 50 CCGA O=C(NCc1ccc(F)cc1)c1ccc(F)c(B(O)O)c1 169744451 MIWOFLMSLFRZDO-UHFFFAOYSA-N 291.062 0.575 50 50 CCGA CNC(=S)NNC(=O)COc1ccccc1[N+](=O)[O-] 5914106 RXQVPIPKVINPID-UHFFFAOYSA-N 284.297 0.099 50 50 CCGA O=C(Nc1cccnc1)c1cc(F)cc(B(O)O)c1 169744068 JRMSBBKUDFDRRR-UHFFFAOYSA-N 260.033 0.153 50 50 CCGA CC(C)(C)OC(=O)NCc1ccc(F)cc1B(O)O 169743930 LQNCBYFATHDYFO-UHFFFAOYSA-N 269.081 0.530 50 50 CCGA O=S(=O)(OCc1ccccc1)c1ccc(B(O)O)cc1 208615282 QHERFNVIPYGWII-UHFFFAOYSA-N 292.121 0.272 50 50 CCGA O=C(O)/C=C\C(=O)NNC(=O)[C@H]1C[C@H]1c1ccccc1 100300284 LNTZNXCWGIGMBO-TWHAFNCTSA-N 274.276 0.578 50 50 CCGA O=S1(=O)[C@@H](Cl)[C@H](N2CCOCC2)C12CC=CC2 45069172 ZSLGQGQNQNCNBD-VHSXEESVSA-N 277.773 0.769 50 50 CCGA COc1cc(/C=N/NC(=O)C(=O)N2CCCC2)ccc1O 2901450 ADKLEXPTWFOECN-OQLLNIDSSA-N 291.307 0.473 50 50 CCGA C[C@]1(C(=O)NNC(=O)c2ccnc(C3CC3)n2)CCCO1 833499626 OAGATBKBGYAIBK-CQSZACIVSA-N 290.323 0.684 50 50 CCGA CC(C)C[C@H](NC(=O)[C@H](C)Cl)C(=O)N=c1cc[nH][nH]1 1875363441 AFWXPZVKPQKLOL-IUCAKERBSA-N 286.763 0.928 50 50 CCGA CCN(CC)C(=O)c1cc(Cl)cc(B(O)O)c1 169746425 KVYOLHXPKSCLCF-UHFFFAOYSA-N 255.510 0.502 50 50 CCGA in-vitro O=C(CCl)N[C@@H](Cc1ccc(O)cc1)C(=O)O 163861 GDOGSOZOUAVIFX-VIFPVBQESA-N 257.673 0.743 50 50 CCGA in-vitro O=C1NC[C@H](c2ccccc2)[C@H]1C(=O)N/N=C/c1ccc[nH]1 5028896 XIPYAHWWRRQGJF-GZBXKKSUSA-N 296.330 0.995 50 50 CCGA O=C(N/N=C\c1cccc([N+](=O)[O-])c1O)c1cnccn1 5033951 AVNWYGINDMPTMC-UUASQNMZSA-N 287.235 0.854 50 50 CCGA NS(=O)(=O)c1ccc(NC(=O)CBr)cc1 1555602 JZNKNTMOKKSWRT-UHFFFAOYSA-N 293.142 0.667 50 50 CCGA O=C(NCc1ccc(F)cc1)c1cccc(B(O)O)c1F 169744708 DYTUSRPFPFXVGW-UHFFFAOYSA-N 291.062 0.575 50 50 CCGA C[C@@]1(C(=O)NNC(=O)c2ccnc(C3CC3)n2)CCCO1 833499625 OAGATBKBGYAIBK-AWEZNQCLSA-N 290.323 0.684 50 50 CCGA COc1cc2c(cc1OC)CN(CC(=O)NN)CC2 22779715 RQBMWGQJGPOTFR-UHFFFAOYSA-N 265.313 0.052 50 50 CCGA C[C@@]12C(=O)OC(=O)[C@@]1(C)[C@]1(C)C(=O)CC(=O)[C@]21C 263618521 UENLXKNRCZRCMX-RNJOBUHISA-N 250.250 0.651 50 50 CCGA in-vitro CC(C)(C)OC(=O)NCCc1cccc(B(O)O)c1 199201551 BHXCQHFWXIWLBR-UHFFFAOYSA-N 265.118 0.434 50 50 CCGA C[C@H](Cl)C(=O)NCCc1nnnn1-c1ccccc1 1875375792 IJUOUQAVTRSUGE-VIFPVBQESA-N 279.731 0.948 50 50 CCGA CC1CCN(C(=O)c2ccc(B(O)O)cc2Cl)CC1 169744380 TZAFAMUSBPGPLV-UHFFFAOYSA-N 281.548 0.892 50 50 CCGA C[C@@H](Cl)C(=O)N[C@@H]1CCCN(S(=O)(=O)C2CC2)C1 1875375538 CYEKQSLYABKQTN-RKDXNWHRSA-N 294.804 0.687 50 50 CCGA CC(C)(C)OC(=O)Nc1cc(B(O)O)cc(Cl)n1 585662141 IMHLLTNTNOTCCI-UHFFFAOYSA-N 272.497 0.762 50 50 CCGA Cc1ccc(NS(=O)(=O)c2ccc(B(O)O)cc2)cc1 169744281 RGJGYRYMFMLJEU-UHFFFAOYSA-N 291.137 0.476 50 50 CCGA in-vitro O=C(O)CN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Cl)[C@@H]3Cl)[C@@H]2C1=O 239222085 UIPJPKGVZBWUTQ-DTZILCLSSA-N 292.118 0.537 50 50 CCGA CCCNC(=O)/C(C#N)=C/c1c(C(=O)O)cnn1C 585135844 FUGXAIMUFVZEHV-VMPITWQZSA-N 262.269 0.551 50 50 CCGA O=Cc1c(OCc2nccs2)cccc1B(O)O 2325825799 BZXBBNMGALAUHJ-UHFFFAOYSA-N 263.083 0.214 50 50 CCGA O=C(CCl)NCCn1cnc2ccsc2c1=O 1875376889 MEZYPCTTYAZWOG-UHFFFAOYSA-N 271.729 0.813 50 50 CCGA CC1(C)[C@@H](N2CCOCC2)[C@H](Cl)S1(=O)=O 22015770 YTMSFFQTDDPVCH-JGVFFNPUSA-N 253.751 0.459 50 50 CCGA CC(C)(O)C(=O)NNC(=S)NC1CCCCC1 609384 AIAIAYZWCYMIMP-UHFFFAOYSA-N 259.375 0.585 50 50 CCGA CC(=O)NNC(=O)c1ccc(NC(=O)C2CC2)cc1 508968 NBFKEYPOQIMMDF-UHFFFAOYSA-N 261.281 0.816 50 50 CCGA Cn1nccc1CN1C[C@@H](F)C[C@H]1CNC(=O)CCl 1875381427 UTOPDVWIWKLQSS-ONGXEEELSA-N 288.754 0.688 50 50 CCGA OB(O)c1ccc(OCCCN2CCCCC2)cc1 169948602 WXZPCHIROFGLEC-UHFFFAOYSA-N 263.146 0.621 50 50 CCGA in-vitro OB(O)c1cc(F)ccc1OC[C@@H]1CCCCO1 169924430 KFIJYABYGSCBOL-JTQLQIEISA-N 254.066 0.453 50 50 CCGA in-vitro CC(=O)O[Si](OC(C)=O)(OC(C)=O)c1ccccc1 169810097 VLFKGWCMFMCFRM-UHFFFAOYSA-N 282.324 0.522 50 50 CCGA COC(=O)N(C)NC(=O)[C@H]1CC[C@H]2CCCCN21 908115870 XNQJTKWBOLJZRF-NXEZZACHSA-N 255.318 0.733 50 50 CCGA C[C@H](Cl)C(=O)N[C@@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 1875378123 VYJVOTHHSOBXLG-NGZCFLSTSA-N 295.788 0.466 50 50 CCGA CN(C(=O)c1cccc(B(O)O)c1F)c1ccccc1 169744710 MPKITYQRZAFSSY-UHFFFAOYSA-N 273.072 0.782 50 50 CCGA O=C(N/N=C\c1ccccc1O)c1nc([N+](=O)[O-])n[nH]1 16309741 XCIQXRCZXPZEOS-WZUFQYTHSA-N 276.212 0.182 50 50 CCGA C[C@@H]1OC2(CCN(C(=O)[C@@H](C)Cl)CC2)NC1=O 1875376486 YLHMCINQIXQUKO-SFYZADRCSA-N 260.721 0.467 50 50 CCGA O=[N+]([O-])N(CCCl)CN(CCCl)[N+](=O)[O-] 3124354 GZYOEMIYNFGMJP-UHFFFAOYSA-N 261.065 0.409 50 50 CCGA C[C@H](Cl)C(=O)NC[C@H]1CCC[C@]12NC(=O)NC2=O 1875363952 FSBDQMBWKNYYDY-CVJICSNFSA-N 273.720 0.108 50 50 CCGA CC(C)Oc1cc(Br)cc(B(O)O)c1 169748127 OYCQIPZXNTZLQQ-UHFFFAOYSA-N 258.908 0.916 50 50 CCGA in-vitro Nc1nc(N)c2nc(CBr)cnc2n1 13283609 MJRBZALCJHZGKR-UHFFFAOYSA-N 255.079 0.479 50 50 CCGA in-vitro OB(O)c1ccc(OCCCN2CCCC2)c(Cl)c1 230546441 KRXGYKOIVCSEEM-UHFFFAOYSA-N 283.564 0.885 50 50 CCGA O=C(CCl)N1CCS(=O)(=O)[C@H]2CCCC[C@H]21 1319674523 OGYJPXXGNZOTOG-BDAKNGLRSA-N 265.762 0.793 50 50 CCGA CC(C)(C)OC(=O)NCc1ccccc1B(O)O 169909026 NVCGSIBAXVRMLU-UHFFFAOYSA-N 251.091 0.391 50 50 CCGA Cc1ccc(CNC(=O)c2cc(F)cc(B(O)O)c2)cc1 169744393 RGIOCVXVRZPETG-UHFFFAOYSA-N 287.099 0.744 50 50 CCGA Cn1cc(C(=O)N/N=C/c2ccc3c(c2)OCO3)ccc1=O 433547 KCXUZZIVOFHJNF-FRKPEAEDSA-N 299.286 0.878 50 50 CCGA O=C1NC[C@H](c2ccccc2)[C@@H]1C(=O)N/N=C/c1ccc[nH]1 5028901 XIPYAHWWRRQGJF-GLPWQNBLSA-N 296.330 0.995 50 50 CCGA Cc1nn(C)c(NNC(=O)c2cccnc2)c1C#N 1875349767 LYCNILHKMVWFPN-UHFFFAOYSA-N 256.269 0.752 50 50 CCGA O=C(NC[C@H]1CCCO1)C1CCN(C(=O)CCl)CC1 1875363478 DKQIOOXVUKOZFZ-LLVKDONJSA-N 288.775 0.759 50 50 CCGA COC(=O)c1cc(F)c(B(O)O)cc1Br 170010300 WGBIGBUPXJOFFY-UHFFFAOYSA-N 276.854 0.055 50 50 CCGA O=C(NCc1ccccc1)c1cc(F)cc(B(O)O)c1 169745375 SPKWRVWDQVGUAK-UHFFFAOYSA-N 273.072 0.436 50 50 CCGA in-vitro NNC(=O)/C(=C\c1ccco1)NC(=O)c1ccco1 264850 JUFMLDFOQQKJCV-VQHVLOKHSA-N 261.237 0.633 50 50 CCGA CC1=NNC(=O)[C@H]1CCC(=O)N/N=C/c1ccc(O)cc1 100573352 RGLROIRINYMGBK-AAWHYMEISA-N 288.307 0.744 50 50 CCGA O=C(CCl)N1CCN(Cc2cc(O)ccc2O)CC1 1875387054 LQSMMXIHSSFBKQ-UHFFFAOYSA-N 284.743 0.981 50 50 CCGA NNC(=O)CCCc1ccc(N2C(=O)C=CC2=O)cc1 2558840 ZMRMMAOBSFSXLN-UHFFFAOYSA-N 273.292 0.429 50 50 CCGA CNC(=S)NNC(=O)c1cc(Cl)ccc1O 7059653 DUSAZQLBGLYLRU-UHFFFAOYSA-N 259.718 0.784 50 50 CCGA O=C(CCl)N1CCS(=O)(=O)[C@@H]2CCCC[C@@H]21 1319674529 OGYJPXXGNZOTOG-DTWKUNHWSA-N 265.762 0.793 50 50 CCGA O=C1CC[C@@H](N2C(=O)c3ccccc3C2=O)C(=O)O1 43260250 ICDLEMPZXFCQEB-SECBINFHSA-N 259.217 0.515 50 50 CCGA in-vitro CSc1ccc(B(O)O)cc1OC(F)(F)F 169988549 KZMPCESUPRQUAO-UHFFFAOYSA-N 252.022 0.987 50 50 CCGA CCOc1cc(OC(F)(F)F)cc(B(O)O)c1F 169964767 MXNMKFPYPKBZGI-UHFFFAOYSA-N 267.971 0.803 50 50 CCGA C=C1CCN(S(=O)(=O)CCl)S(=O)(=O)C1 43198598 MVPHLDLAYFOKJN-UHFFFAOYSA-N 259.736 0.104 50 50 CCGA O=C(NNC(=O)N1C[C@H]2CC=CC[C@H]2C1)c1ccon1 2325768738 GNDWYXVMWHYUCV-AOOOYVTPSA-N 276.296 0.927 50 50 CCGA CCN(CC)C(=O)C(=O)N/N=C/c1ccc2c(c1)OCO2 2898540 WCCHMMMUTSMDTR-OVCLIPMQSA-N 291.307 0.734 50 50 CCGA O=C1NC2(CN(C(=O)CCl)C2)Nc2ccccc21 1875378051 UWHYSCCDMLPUDQ-UHFFFAOYSA-N 265.700 0.619 50 50 CCGA CCCOCc1nc(-c2cccc(B(O)O)c2)no1 585052229 VIMICBPAYDMNLZ-UHFFFAOYSA-N 262.074 0.343 50 50 CCGA CC(C)(C)OC(=O)n1cc(B(O)O)c2ccc(C#N)cc21 219256269 FJEQIVPJRILZHZ-UHFFFAOYSA-N 286.096 0.976 50 50 CCGA COc1ccc(OCc2ccccc2)cc1B(O)O 169978179 GUYRCVKLFXWSDJ-UHFFFAOYSA-N 258.082 0.954 50 50 CCGA C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)[C@H](F)Cl 2325820711 OMCWUMGXCJNSGM-QYNIQEEDSA-N 259.730 0.801 50 50 CCGA Cc1ccc2c(c1)C(=O)N([C@H]1CCC(=O)OC1=O)C2=O 101365228 GCFZEUVSZSYBIA-JTQLQIEISA-N 273.244 0.823 50 50 CCGA C[C@H](Cl)C(=O)NC[C@H]1CN(c2nncs2)CCO1 1875376129 MWNDJBKAFBSIOD-YUMQZZPRSA-N 290.776 0.487 50 50 CCGA CC(C)(C)OC(=O)Nc1cc(B(O)O)cnc1Cl 169955611 MTWLURBIZBEDKC-UHFFFAOYSA-N 272.497 0.762 50 50 CCGA O=C(NNC(=O)[C@H]1[C@H]2CCCC[C@H]21)c1ccc(=O)oc1 245328651 VYWLDBZAVCHREI-PEGIJTEDSA-N 276.292 0.837 50 50 CCGA O=C(CCl)N1CCC[C@H](N2CCCS2(=O)=O)CC1 1875367475 FWILTTLMVFDZCO-JTQLQIEISA-N 294.804 0.642 50 50 CCGA NNC(=O)COc1ccc(OC(F)(F)F)cc1 74406 LBBKIDVFMPXFOD-UHFFFAOYSA-N 250.176 0.954 50 50 CCGA C[C@@H](Cl)C(=O)NCC1(CS(C)(=O)=O)CCOCC1 1875377517 GHCAPAZGYARVFT-SECBINFHSA-N 297.804 0.571 50 50 CCGA CC(C)(C)NC(=O)c1c(B(O)O)cccc1C(F)(F)F 169988623 QQDOPPAVVMVBNZ-UHFFFAOYSA-N 289.062 0.914 50 50 CCGA O=C(NN=c1c(=O)c2ccccc2c1=O)c1ccncc1 236173 WBRLZIXEQFIXCQ-UHFFFAOYSA-N 279.255 0.077 50 50 CCGA CN1C(=O)/C(=N\NC(N)=O)c2cc(Br)ccc21 6974239 LPFYSVRLQLQRJS-JYRVWZFOSA-N 297.112 0.798 50 50 CCGA O=C(NNC(=O)N1CCOCC1)c1cnc(C2CC2)o1 900426596 FXCHTLNBHZYKPO-UHFFFAOYSA-N 280.284 0.239 50 50 CCGA Cc1nc(C)n(C[C@H]2CN(C(=O)[C@H](C)Cl)CCO2)n1 1875364757 SWEZOXKQVGZOAQ-GZMMTYOYSA-N 286.763 0.750 50 50 CCGA Cc1ccc(NS(=O)(=O)c2cccc(B(O)O)c2)cc1 169744230 GRQHTWKGKZUQNA-UHFFFAOYSA-N 291.137 0.476 50 50 CCGA CC(=O)NC(=S)NNC(=O)CCc1ccccc1 2551970 XDNVLPKBBGRUFK-UHFFFAOYSA-N 265.338 0.661 50 50 CCGA CCOC(=O)CNC(=O)C1(N(C=O)N(C)C)CCCCC1 71772357 SKRMKLOOJMOUFA-UHFFFAOYSA-N 299.371 0.304 50 50 CCGA C[C@@H](Cl)C(=O)N[C@@]1(C(N)=O)CCOc2ccccc21 1875364369 OYHUNRUGSWWBIQ-OQPBUACISA-N 282.727 0.893 50 50 CCGA Cc1c(B(O)O)ccc2c1cnn2[C@H]1CCCCO1 261506842 BMWGDNRSRGGZAF-CYBMUJFWSA-N 260.102 0.724 50 50 CCGA C[C@H](Cl)C(=O)NC[C@]1(CO)COCC2(CCC2)N1C 1875366834 JIWOWSUMCLJDHW-GWCFXTLKSA-N 290.791 0.346 50 50 CCGA O=C(CCl)N1COC[C@]2(COC[C@H]3CCCCN32)C1 1875375195 UUMIRGGEESVGEB-DGCLKSJQSA-N 288.775 0.665 50 50 CCGA O=C(CN1CCOCC1)N/N=C/c1cccc([N+](=O)[O-])c1 19335729 DEKDATTVODZUFH-NTEUORMPSA-N 292.295 0.377 50 50 CCGA OB(O)c1c(Br)cccc1Br 169748120 VDYVCYLLOZQUBR-UHFFFAOYSA-N 279.724 0.891 50 50 CCGA in-vitro CC(C)c1nn(C(=O)OC(C)(C)C)cc1B(O)O 242498517 HJWHQNAEIHLXEG-UHFFFAOYSA-N 254.095 0.470 50 50 CCGA CC(C)C(=O)N1CC(F)(CNC(=O)[C@H](C)Cl)C1 1875376229 PIQJQWUSKSGQMA-QMMMGPOBSA-N 264.728 0.936 50 50 CCGA O=C([C@@H](F)Cl)N1CCN(c2ccc3nncn3n2)CC1 2325898576 MCYWYPHWMMFSJX-SNVBAGLBSA-N 298.709 0.307 50 50 CCGA COC(=O)CCC(=O)NNC(=O)CCc1ccccc1 2937696 JPUZRPAOADOIQM-UHFFFAOYSA-N 278.308 0.720 50 50 CCGA C[C@@H]1CCCN(C(=O)c2ccc(F)c(B(O)O)c2)C1 169744220 VDTRTQZWPBEQKH-SECBINFHSA-N 265.093 0.378 50 50 CCGA O=C(NCc1ccccc1F)c1ccc(F)c(B(O)O)c1 169744273 KQSVTPWXLNYZIX-UHFFFAOYSA-N 291.062 0.575 50 50 CCGA O=C(CCl)N1C[C@@H](O)[C@@H](O)CC2(CCCC2)C1 1875370320 KDLASKFXLDXJSA-VHSXEESVSA-N 261.749 0.740 50 50 CCGA COc1cc(/C=N/NC(=O)c2ccnn2C)ccc1O 247269 DIJMJLFXZFXPNO-RIYZIHGNSA-N 274.280 0.898 50 50 CCGA O=C(Nc1ccc(F)cc1)c1cccc(B(O)O)c1F 169744651 SBFZSLTUVBNLDY-UHFFFAOYSA-N 277.035 0.897 50 50 CCGA COc1cccc(/C=N/NC(=O)C(=O)NCC(C)C)c1O 2901201 OIJOQCNBYJREOA-LZYBPNLTSA-N 293.323 0.623 50 50 CCGA OB(O)c1cc(Br)nc(Br)c1 169955481 WXFBYDLBSSITNV-UHFFFAOYSA-N 280.712 0.286 50 50 CCGA CCOC(=O)NN[C@@H]1CC(=O)N(c2ccccc2)C1=O 100117079 UKOLNZNNYSMAPW-SNVBAGLBSA-N 277.280 0.569 50 50 CCGA CCN1CCN(Cc2cc(B(O)O)ccc2Cl)CC1 230547083 OJCUGAAOAAKVAG-UHFFFAOYSA-N 282.580 0.157 50 50 CCGA CCn1cc(O[C@@H]2COC[C@@H]2NC(=O)[C@@H](C)Cl)cn1 1875380746 YHMMEBBFXGKGIA-DVVUODLYSA-N 287.747 0.793 50 50 CCGA O=C(c1ccc(B(O)O)cc1Cl)N1CCCCC1 169745486 AQTGPCIHLDJZJF-UHFFFAOYSA-N 267.521 0.646 50 50 CCGA in-vitro C[C@H](Cl)C(=O)N1CCOC[C@H](n2cccn2)C1 1875375589 FJKJYKYLJQPTFK-VHSXEESVSA-N 257.721 0.910 50 50 CCGA O=C(O)C[C@@H]1CN(S(=O)(=O)C2(CCl)CC2)CCO1 1875289117 TVVVNDCWJYPCKR-MRVPVSSYSA-N 297.760 0.263 50 50 CCGA Cn1cnc([N+](=O)[O-])c1N1CCN(C(=O)CCl)CC1 1875364750 SHWUBVVAABSCKJ-UHFFFAOYSA-N 287.707 0.216 50 50 CCGA Cc1cc(C)n2nc(C(=O)NN=Cc3ccccn3)nc2n1 252620602 MHSGSJCSIHHFOJ-UHFFFAOYSA-N 295.306 0.900 50 50 CCGA OB(O)c1cnn(-c2ccc(C(F)(F)F)cc2)c1 203615496 KYWBBNAEFNIHRD-UHFFFAOYSA-N 255.992 0.571 50 50 CCGA CC1CCN(C(=O)c2cc(F)cc(B(O)O)c2)CC1 169744167 WAWIUKFKZSQNOM-UHFFFAOYSA-N 265.093 0.378 50 50 CCGA NC(=O)C1(N2CCN(C(=O)CCl)CC2)CCCC1 1875364690 QNROADOOMFQTDO-UHFFFAOYSA-N 273.764 0.168 50 50 CCGA N#Cc1ccc(COc2cccc(B(O)O)c2C=O)cc1 2325826686 JSHZADLPGOZHDP-UHFFFAOYSA-N 281.076 0.630 50 50 CCGA NC(=O)c1ccc(/C=N/NC(=O)Cc2cccnc2)cc1 1875255172 SXXASWMOHAOIHM-VCHYOVAHSA-N 282.303 0.873 50 50 CCGA Nc1nonc1NC(=O)N/N=C\c1ccc(O)c(O)c1 32609457 XBOJMKQQHAHJCA-QCDXTXTGSA-N 278.228 0.219 50 50 CCGA OB(O)c1ccc(OCCN2CCCC2)c(Cl)c1 230546345 YBHHYLXQDVJKRN-UHFFFAOYSA-N 269.537 0.494 50 50 CCGA Cn1cc(C(=O)NNC(=O)N2CCCC[C@](C)(F)C2)nn1 2325756531 RFWCUDISWBMYJU-LBPRGKRZSA-N 298.322 0.384 50 50 CCGA C[C@]1(c2ccccc2)C[C@@H]1C(=O)NNC(=O)CCC(=O)O 3141598 LGNOWUHVQARTSS-IAQYHMDHSA-N 290.319 0.976 50 50 CCGA CC(C)(C)OC(=O)N1CCc2cc(B(O)O)ccc21 170002731 QOMTYDDBSAMVBY-UHFFFAOYSA-N 263.102 0.664 50 50 CCGA COC(=O)[C@@H](Br)[C@H](O)CBr 139172013 ORUPRZUZWITYDZ-DMTCNVIQSA-N 275.924 0.679 50 50 CCGA COc1cc(OC(F)(F)F)cc(B(O)O)c1F 169977983 QTABOWWUARPZFF-UHFFFAOYSA-N 253.944 0.413 50 50 CCGA C[C@H](Cl)C(=O)NC[C@@H]1CCC[C@]12NC(=O)NC2=O 1875363953 FSBDQMBWKNYYDY-HFJPGXAFSA-N 273.720 0.108 50 50 CCGA Cc1cc(=O)n2c([nH]c3ccccc32)c1C(=O)NN 45297 ILVPVYIKPPOYSV-UHFFFAOYSA-N 256.265 0.693 50 50 CCGA CN1CCN(CC(=O)N/N=C/c2ccc(F)c(F)c2)CC1 19537726 OFDMCLUZLXSPPM-RQZCQDPDSA-N 296.321 0.662 50 50 CCGA COC(OC)c1ccc(B(O)O)c(C(F)(F)F)c1 170002002 BAXFAJMDNPZKLY-UHFFFAOYSA-N 264.008 0.677 50 50 CCGA COc1cc(/C=C(\C#N)C(N)=S)ccc1OCC(N)=O 1069229 KHDWTTQHUXJSDI-RUDMXATFSA-N 291.332 0.752 50 50 CCGA COC(=O)c1cc(Br)cc(B(O)O)c1F 170010202 RTLUVPGFRPQLHJ-UHFFFAOYSA-N 276.854 0.055 50 50 CCGA O=C([C@@H]1Cc2cccc(F)c2O1)N1CC[C@H](B(O)O)C1 585138722 MQJSTOPODVPVEK-ONGXEEELSA-N 279.076 0.205 50 50 CCGA NNC(=O)c1cc(N2CCNCC2)nc2ccccc12 390212 CNAIRFCLZJCUQV-UHFFFAOYSA-N 271.324 0.248 50 50 CCGA Cc1cc(N2CCC[C@H](NC(=O)[C@@H](C)Cl)C2=O)n(C)n1 1875364432 MNVHDZUDZQRTOM-ZJUUUORDSA-N 298.774 0.967 50 50 CCGA [N-]=[N+]=NCCOCCOCCNC(=O)CBr 200016230 KQMMHVXOQNRZPX-UHFFFAOYSA-N 295.137 0.841 50 50 CCGA O=S1(=O)[C@@H](Cl)[C@@H](N2CCOCC2)C12CC=CC2 45069169 ZSLGQGQNQNCNBD-NXEZZACHSA-N 277.773 0.769 50 50 CCGA Cc1ocnc1C(=O)NNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 1875298913 RVXURRAZSAHVQI-BIIVNPBRSA-N 277.280 0.167 50 50 CCGA CCOC(=O)CCCCc1cccc(B(O)O)c1 169904066 VKBIWJNTRMUYTC-UHFFFAOYSA-N 250.103 0.642 50 50 CCGA OB(O)c1cc(C(F)(F)F)ccc1N1CCCC1 230526362 SORAIKKCUJHDRD-UHFFFAOYSA-N 259.036 0.985 50 50 CCGA O=C(O)C[C@H]1CN(S(=O)(=O)C2(CCl)CC2)CCO1 1875289118 TVVVNDCWJYPCKR-QMMMGPOBSA-N 297.760 0.263 50 50 CCGA C[C@H]1CCCCN1C(=O)c1cc(F)cc(B(O)O)c1 169744371 FOZKXTAGQOGLLH-VIFPVBQESA-N 265.093 0.520 50 50 CCGA O=C(NCCc1ccc(B(O)O)cc1)OCc1ccccc1 169746227 ZXIWCYGAUHQBIV-UHFFFAOYSA-N 299.135 0.835 50 50 CCGA in-vitro N#C/C(=C\c1ccc(N2CCOCC2)cc1)C(N)=O 442086 MRGJWJSTAKYGCH-FMIVXFBMSA-N 257.293 0.915 50 50 CCGA Cc1cc(C(=O)NNC(=O)COc2ccccc2C)[nH]n1 5818607 PFPIUNDFSDALDN-UHFFFAOYSA-N 288.307 0.867 50 50 CCGA C[C@H](O)CC(=O)NNC(=O)Nc1ccc(F)cc1F 2855416 CEHDVCSCDQGUCS-LURJTMIESA-N 273.239 0.888 50 50 CCGA O=C(CCl)N1CCCN(C(=O)[C@H]2CCCO2)CC1 1875364955 ZDVUERXWGVCAGQ-SNVBAGLBSA-N 274.748 0.465 50 50 CCGA C[C@@]1(c2ccccc2)C[C@H]1C(=O)NNC(=O)CCC(=O)O 3141595 LGNOWUHVQARTSS-NHYWBVRUSA-N 290.319 0.976 50 50 CCGA CC1CCN(CCOc2ccc(B(O)O)cc2F)CC1 230550930 LYPHOOHBJUKOKH-UHFFFAOYSA-N 281.136 0.616 50 50 CCGA O=C(CCl)NCCn1cc([C@H]2CCOC2)cn1 1875367933 ASAJCZHFGPMCFQ-VIFPVBQESA-N 257.721 0.742 50 50 CCGA O=S(=O)(NCC1CCCCC1)c1ccc(B(O)O)cc1 169747187 JDFPAMLPRYKLRV-UHFFFAOYSA-N 297.185 0.225 50 50 CCGA O=C(O)/C=C\C(=O)NNC(=O)[C@H]1C[C@@H]1c1ccccc1 55466442 LNTZNXCWGIGMBO-UQRGBAIESA-N 274.276 0.578 50 50 CCGA O=C1Nc2ccc([N+](=O)[O-])cc2/C1=N/NC(=O)C1CC1 8104467 WDWLQEGYGQZTMO-UHFFFAOYSA-N 274.236 0.777 50 50 CCGA CC1CCN(C(=O)c2ccc(B(O)O)c(Cl)c2)CC1 169744583 OZQBMQXMURZKDX-UHFFFAOYSA-N 281.548 0.892 50 50 CCGA OB(O)c1cc(F)c(Br)cc1Cl 1857783829 VKLXKXXUDCZNIS-UHFFFAOYSA-N 253.263 0.921 50 50 CCGA CC(=O)N([C@@H]1C[C@@H](C)C(C#N)(C#N)C1(C#N)C#N)N(C)C 269264 OUPUBHDCUACHAN-ZYHUDNBSSA-N 284.323 0.787 50 50 CCGA CN(Cc1ccccc1)C(=O)c1cc(F)cc(B(O)O)c1 169744279 XIKHROMRYQJSCG-UHFFFAOYSA-N 287.099 0.778 50 50 CCGA CC(C)Oc1c(F)c(F)c(B(O)O)c(F)c1F 169806956 YOXGBYWSEKQTAW-UHFFFAOYSA-N 251.972 0.710 50 50 CCGA COc1ccccc1COc1ccc(B(O)O)cc1 169877321 YPZFEBLXRQPHIO-UHFFFAOYSA-N 258.082 0.954 50 50 CCGA in-vitro N[C@](CCCCB(O)O)(CCN1CCCCC1)C(=O)O 170183242 CHPILBYRQPOXMV-CYBMUJFWSA-N 286.181 0.288 50 50 CCGA in-vitro COc1ccc(/C=N/NC(=O)[C@@H]2CCCNC2=O)cc1 551481 LCFFVTOARROQPJ-GFQQVXNGSA-N 275.308 0.672 50 50 CCGA CC(C)(C)[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1ccncn1 2325766612 FTNCGUZEMBBIBW-MWLCHTKSSA-N 292.339 0.689 50 50 CCGA CCO[C@H]1C[C@H]1C(=O)NNC(=O)COc1ccc(F)cc1 225509395 FMVXXEUETTXLKL-NEPJUHHUSA-N 296.298 0.777 50 50 CCGA C[C@@H]1CCCN(C(=O)c2ccc(B(O)O)c(F)c2)C1 169744484 VLCUGQDFFSSWPL-SECBINFHSA-N 265.093 0.378 50 50 CCGA NC(=O)CCSC(=S)NNC(=O)c1ccncc1 5010145 QPAJXLMHPUFAAV-UHFFFAOYSA-N 284.366 0.210 50 50 CCGA O=C(Nc1ccccc1F)c1cccc(B(O)O)c1F 169744700 DDOYQNXSPYDHME-UHFFFAOYSA-N 277.035 0.897 50 50 CCGA OB(O)c1c(F)c(F)c(Br)c(F)c1F 169877042 WFADCDXWIFNRJC-UHFFFAOYSA-N 272.788 0.685 50 50 CCGA COc1ccc(CNC(=O)c2ccc(B(O)O)cc2)cc1 169903815 RJZAHNYXFDPDHL-UHFFFAOYSA-N 285.108 0.305 50 50 CCGA in-vitro CCO[C@H]1C[C@@H]1C(=O)NNC(=O)COc1ccc(F)cc1 225509328 FMVXXEUETTXLKL-RYUDHWBXSA-N 296.298 0.777 50 50 CCGA COC(=O)c1cc(CNC(=O)CCl)n(C)c1C 1353361460 PGFPGDSKZKUXNV-UHFFFAOYSA-N 258.705 0.975 50 50 CCGA CC(=O)NNC(=O)CCC(=O)NCc1ccccc1 5832394 CUGMAHHQXVHQTJ-UHFFFAOYSA-N 263.297 0.250 50 50 CCGA C[C@@H](Cl)C(=O)NC1(C(=O)N(C)C)CC(F)(F)C1 1875368937 IKRAWAIUBKQMMY-ZCFIWIBFSA-N 268.691 0.986 50 50 CCGA O=[N+]([O-])c1cc(B(O)O)ccc1OC(F)(F)F 169964621 HEYISZILWXZDPS-UHFFFAOYSA-N 250.925 0.173 50 50 CCGA O=C(NCCS(=O)(=O)NCC1CCC1)[C@@H](F)Cl 2325898770 ZPFFLYIQNWSEGG-MRVPVSSYSA-N 286.756 0.357 50 50 CCGA C[C@H](Cl)C(=O)NC[C@@H]1CN(c2nncs2)CCO1 1875376127 MWNDJBKAFBSIOD-JGVFFNPUSA-N 290.776 0.487 50 50 CCGA Cn1cc(NC(=O)CCl)c(C(=O)NC2CCC2)n1 1875381265 PALFQNMVOFMWMW-UHFFFAOYSA-N 270.720 0.880 50 50 CCGA O=C(NCc1ccc(F)cc1)c1cc(F)cc(B(O)O)c1 169744024 IRXJPJALZQZJSS-UHFFFAOYSA-N 291.062 0.575 50 50 CCGA Cc1nc(CC(=O)NN)sc1C(=O)NCC(C)C 409444217 KFKHOGCMKSJERY-UHFFFAOYSA-N 270.358 0.370 50 50 CCGA Cn1nccc1[C@@H]1[C@@H](NC(=O)CCl)CC(=O)N1C1CC1 1875377874 PTRCREYEJISYHZ-ZANVPECISA-N 296.758 0.580 50 50 CCGA O=C(NNC(=O)c1nccs1)N[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 1875277745 CBTVOUCSOKCTIW-DMAGGPPCSA-N 294.336 0.263 50 50 CCGA COCc1nc2n(n1)C[C@H](NC(=O)CCl)CC2 1341523447 BNFIYGGJEMNVCI-SSDOTTSWSA-N 258.709 0.094 50 50 CCGA C[C@H]1C[C@H](NC(=O)CCl)C(=O)N1c1cnn(C)c1 1323269020 ITLZGOCOLTZXIH-CBAPKCEASA-N 270.720 0.269 50 50 CCGA O=C1Nc2ccccc2/C1=N/NC(=O)c1n[nH]c2c1CCC2 5928962 FMUYGOMNUJMYDA-UHFFFAOYSA-N 295.302 0.985 50 50 CCGA OB(O)c1cc(Cl)c(F)cc1Br 1848351041 WVCQAMXZHGGJST-UHFFFAOYSA-N 253.263 0.921 50 50 CCGA CC(C)C[C@H](Br)C(=O)NCC(=O)O 2041724 PTUKJDOWJCFIBV-LURJTMIESA-N 252.108 0.997 50 50 CCGA CCOC(=O)CNC(=O)NNc1ccc([N+](=O)[O-])cc1 4828786 XENLIWJFSBDNRF-UHFFFAOYSA-N 282.256 0.784 50 50 CCGA CN1CCC(=NNC(=O)c2cc(O)c(O)c(O)c2)CC1 55074043 RBBREDQSBIHNII-UHFFFAOYSA-N 279.296 0.615 50 50 CCGA O=C1CC[C@H](N2C(=O)c3ccccc3C2=O)C(=O)O1 43260254 ICDLEMPZXFCQEB-VIFPVBQESA-N 259.217 0.515 50 50 CCGA in-vitro O[C@H](CCl)COCC#CCOC[C@H](O)CCl 5112682 FPNVDCLFXCGXLH-NXEZZACHSA-N 271.140 0.222 50 50 CCGA Cc1[nH]nc2ncc(C(=O)NNC(=O)CCl)cc12 1875375212 VGAWVFKCDMSLEA-UHFFFAOYSA-N 267.676 0.266 50 50 CCGA CN1CCN(CC(=O)N/N=C/[C@@H]2CC=CCC2)CC1 19732814 JJOKZXGHVVSHBB-WDGDVPDHSA-N 264.373 0.692 50 50 CCGA C[C@@H](Cl)C(=O)NCCNC(=O)c1ncccc1O 1875363694 SDBCRJFVTCIFKQ-SSDOTTSWSA-N 271.704 0.261 50 50 CCGA O=C(O)[C@H](Br)[C@@H](Br)C(=O)O 1577081 FJWGRXKOBIVTFA-JCYAYHJZSA-N 275.880 0.683 50 50 CCGA in-vitro CC(=O)OC[C@]12[C@@H]3[C@@H]4[C@@H]5C(=O)OC(=O)[C@@H]5[C@@H]5[C@H]3[C@@H]1[C@@H]5[C@@H]42 254487364 GNHPPKXQCPPJMX-DZXYAIBWSA-N 274.272 0.233 50 50 CCGA C[C@H](Cl)C(=O)NCCn1nc2ccccn2c1=O 1875363515 GRXMXDXRQCWJOS-QMMMGPOBSA-N 268.704 0.240 50 50 CCGA CCOc1ccc(F)c(B(O)O)c1Br 169747988 XMTOUDRCWLYEHL-UHFFFAOYSA-N 262.871 0.667 50 50 CCGA in-vitro CC(C)(C)OC(=O)n1nc(B(O)O)c2ccccc21 169900133 CRIFMWKASCWEDL-UHFFFAOYSA-N 262.074 0.499 50 50 CCGA COc1cccc(NC(=O)c2ccc(B(O)O)c(F)c2)c1 169744501 ABYWLBJYWQRDDZ-UHFFFAOYSA-N 289.071 0.766 50 50 CCGA COC(=O)NNC(=O)c1cc(OC)c(OC)c(OC)c1 299179 CBFPYWVNABCQPC-UHFFFAOYSA-N 284.268 0.713 50 50 CCGA COc1ccccc1/C=N/NC(=O)C(=O)NC(C)C 2899265 DNNGTMXUJJEKEF-RIYZIHGNSA-N 263.297 0.670 50 50 CCGA C[C@@H]1CC[C@@H](C)N(C(=O)c2cccc(B(O)O)c2)C1 584954493 LMLHRLARKDSXPD-GHMZBOCLSA-N 261.130 0.627 50 50 CCGA O=S(=O)(CBr)N1CCC[C@@H]2O[C@@H]2C1 43199292 VDJMPLQONJOUDS-NKWVEPMBSA-N 270.148 0.532 50 50 CCGA O=C(NCc1nnc(N2CCCC2)o1)[C@@H](F)Cl 2325898443 CLPDIJGWHYSFOU-SSDOTTSWSA-N 262.672 0.820 50 50 CCGA COC(=O)[C@]12CN(C(=O)[C@@H](C)Cl)C[C@H]1CCO2 1875376338 SXZDTPSVFSTWGF-XLDPMVHQSA-N 261.705 0.404 50 50 CCGA