smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features N#Cc1ccc(S(=O)(=O)NCC(=O)NNC(=O)c2csc(N3CCOCC3)n2)cc1 912852252 YKPZGNZPOLNIAA-UHFFFAOYSA-N 450.502 -0.409 50 20 JBGD C[C@@H](NS(=O)(=O)c1cccs1)C(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1 914854476 JNPXNBIHZOEKFO-BXUZGUMPSA-N 469.497 -0.055 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CCO[C@]2(CCN(C(=O)C3=NNC(=O)C3)C2)C1 1778938729 SBCKJCJVTPBIEO-DJJJIMSYSA-N 457.915 -0.176 50 20 JBGD CN(CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cnc(O)nc1O)CCO2)NC(=O)NCc1ccccc1 1780969710 JAIFQNXSXJFYQT-HSZRJFAPSA-N 499.528 -0.323 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)c3cc4cccnc4nc3O)C2)C1 1782264227 JSYHDELVUHRUNO-QHCPKHFHSA-N 462.271 -0.228 50 20 JBGD CC(=O)N[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21)C(C)(C)C 1784312782 RTTNPJIKQWFUHC-OGNFBWPZSA-N 453.584 -0.110 50 20 JBGD CS(=O)(=O)c1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)nc1 1785708694 XXVLFNKGUUKGRC-QSFXBCCZSA-N 487.343 -0.928 50 20 JBGD N[C@@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1cccnc1 1786930724 ZRHGFEAUSPNRRG-VMXMFDLUSA-N 452.320 -0.555 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)n(C)n3)C[C@@H]21 1787506750 LECHMYYKODLJLW-JHUKZBBPSA-N 457.491 -0.147 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc4c(c3)CCNCC4)C[C@@H]21 1788609724 DBQFKAZIYGQJAJ-BUKVSMQUSA-N 493.568 -0.325 50 20 JBGD CN(CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1ccnc1)NC(=O)NCc1ccccc1 1794869269 KWPLOEIUYJEUPR-HATOLVCRSA-N 469.546 -0.181 50 20 JBGD Cn1cnc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)c1C(F)(F)F 1795734614 VBCWYEIBRGVKOD-AGGWBTHJSA-N 466.225 -0.364 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COC(=O)C(F)(F)F)C2 1796442131 RZHNVTCFYCKKDE-TVAYQMQISA-N 473.408 -0.185 50 20 JBGD C[C@H](Oc1ccccn1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797754483 YWSOFCBMOGADKB-ZTENYAIWSA-N 454.487 -0.249 50 20 JBGD O=C(Cn1ccccc1=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807439713 XVTUVXORMOGZPF-CVDCTZTESA-N 460.299 -0.057 50 20 JBGD CN1CCN(C2(C(=O)NC[C@H]3CCN(C(=O)c4cccc(B(O)O)c4)[C@@H]3c3cccnc3)CC2)CC1 1807939552 BQRDAEPHBOBBSF-FYYLOGMGSA-N 491.401 -0.139 50 20 JBGD C[C@H](CC(N)=O)C(=O)N1CC[C@H](CNC(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1810295373 SIBNMIKLNGIXTP-MUKKUYKPSA-N 453.503 -0.089 50 20 JBGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CS(=O)(=O)N1CCCC1)CC2 1826085992 JQGCJLMEKHKTDU-ZDUSSCGKSA-N 486.620 -0.146 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(CN(C(=O)COc3ccccc3)CCO2)C1 1834952643 PPZWJTZZODQZSN-QHCPKHFHSA-N 469.498 -0.166 50 20 JBGD COC[C@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)CN3CCN(C(C)=O)CC3)CC2)CC1 1835513359 XHPNTFMJYFZKRV-FQEVSTJZSA-N 472.030 -0.024 50 20 JBGD CNc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)cc1 1835604800 HNBMUGCTWVJQBY-HSZRJFAPSA-N 453.304 -0.208 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC1CCN(C2CCN(C(=O)c3nc4ncccn4n3)CC2)CC1 1835738111 UDOVLOKXLYFWBK-UHFFFAOYSA-N 492.544 -0.378 50 20 JBGD C[C@H](Cc1ccccn1)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835933635 FBGHUMRIXYTFTJ-HOYKHHGWSA-N 467.331 -0.290 50 20 JBGD COc1cccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)c1 1835935878 VPIAHVCRYAQYBC-XMMPIXPASA-N 468.315 -0.312 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC(c4ccccc4)=NN3)C2)C1 1835938995 AHEBPOFOUMNCSJ-RCZVLFRGSA-N 492.341 -0.797 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCC(N2CCC(NC(=O)Cn3nccn3)CC2)CC1 1836422890 HKXLVBZGLVNNKO-JVWAILMASA-N 469.550 -0.016 50 20 JBGD Cc1cc(C(N)=O)cc(C)c1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1837433511 AZUFMHZMSVIKPW-VWLOTQADSA-N 495.341 -0.534 50 20 JBGD CC(=O)Nc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)o1 1837450362 INQALQWYCYERMK-QFIPXVFZSA-N 471.275 -0.698 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccn4nccc4c3)C2)C1 1837458799 CYQJMSBACSCYAP-HSZRJFAPSA-N 479.497 -0.283 50 20 JBGD COC[C@@H](Cl)C(=O)N1CCC(OC2CCN(C(=O)CNCP(=O)(O)O)CC2)CC1 1837836242 MYNKGGNIYJFNOQ-OAHLLOKOSA-N 455.876 -0.036 50 20 JBGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4n(n3)CCCNC4=O)C2)C1 1840153497 PVSIVDRMSAIREP-JLTOFOAXSA-N 469.926 -0.660 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])o3)C2)C1 1840183197 UIIUOBJCMBXVNX-LJQANCHMSA-N 453.452 -0.369 50 20 JBGD CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)N1CCCC12CN(C(=O)c1ccc(B(O)O)cc1)C2 1846216988 APJDDDNJXGZSBI-MSOLQXFVSA-N 473.335 -0.446 50 20 JBGD C[C@@H](O)[C@H](NC(=O)c1ccccc1)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cnccc1C(=O)NN 1847435785 ADANIUCUIVQRLN-DPZWOIPNSA-N 480.525 -0.320 50 20 JBGD CCCCn1nc(C(=O)NNC(=O)NCCS(=O)(=O)N2CCOCC2)c2ccccc2c1=O 748112199 VPFHNLBWPVLDOS-UHFFFAOYSA-N 480.547 -0.197 50 20 JBGD O=C(CCN1Cc2ccccc2C1=O)N1CC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1778182217 ILVADVHDXHNWJB-RUZDIDTESA-N 477.326 -0.144 50 20 JBGD O=C(Cn1cccc([N+](=O)[O-])c1=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](O)CCl)C2 1781560868 KUJCHKWEUJZFGE-QMTMVMCOSA-N 456.883 -0.130 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C[C@@H]21 1788611503 GQHKGFJLIZKNSK-ZLIFDBKOSA-N 472.462 -0.917 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1C(=O)CNC1=O 1793760488 RNMCCQHYPYMSBQ-ZWUHOBOKSA-N 487.941 -0.740 50 20 JBGD COc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)cc1NC(C)=O 1795735113 MNXRLBBHVGEMTO-OPMZPASUSA-N 481.314 -0.150 50 20 JBGD CC(=O)Nc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)cc1 1795736735 DDUKSHAWEQAKOE-RMFSNUHRSA-N 451.288 -0.158 50 20 JBGD O=C(CCN1C(=O)C=CC1=O)N1CCCC2(CCN(C(=O)c3ccc(B(O)O)cc3)CC2)C1 1806384081 QYCDRWBDBUVCJC-UHFFFAOYSA-N 453.304 -0.474 50 20 JBGD O=C(Cn1cccc([N+](=O)[O-])c1=O)N1CCC2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)CC1 1809980646 ZGZVLAAKBVKVEO-UHFFFAOYSA-N 482.302 -0.019 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1CCN(C(=O)c2nccnc2C(N)=O)[C@@H]1c1cccnc1 1810301704 AHOBLESGCULGLB-IFXJQAMLSA-N 489.496 -0.398 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1CCN(C(=O)Cn2ccncc2=O)[C@H]1c1cccnc1 1810305952 RGBFFPLGYDIWNK-KKSFZXQISA-N 476.497 -0.343 50 20 JBGD COc1ccc([C@H](O)C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)cc1 1830213432 HXCINQGJLPWPER-XUZZJYLKSA-N 484.314 -0.821 50 20 JBGD C[C@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nccnc3C(N)=O)C2)C1 1830543454 SJOOXAUAZVPCQM-XIKOKIGWSA-N 470.324 -0.324 50 20 JBGD COCCOCCOCCOCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830734045 ZSLUMBWEYQGCJY-NQIIRXRSSA-N 496.985 -0.871 50 20 JBGD CC(C)CNC(=O)C(=O)N1CCC(N2CCC(NC(=O)c3cccc(B(O)O)c3)CC2)CC1 1834799974 KCMQJHQENPCLFT-UHFFFAOYSA-N 458.368 -0.676 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC1CCN(C2CCN(C(=O)c3cccnc3C(N)=O)CC2)CC1 1835737152 PGCFMDZEZCNWDG-UHFFFAOYSA-N 494.556 -0.322 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)c3ccnc(Cl)n3)C2)C1 1835930617 PRTZYOBNGYJSMH-HXUWFJFHSA-N 460.683 -0.806 50 20 JBGD CCc1noc(C)c1C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835931032 DDZFMVIUFZSDLG-QFIPXVFZSA-N 457.292 -0.391 50 20 JBGD O=C(C1=NO[C@H](c2ccccc2)C1)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835936733 ADNDGBCDXJLFBP-WIOPSUGQSA-N 493.325 -0.046 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)c3[nH]cc4c3CCC4)C2)C1 1835938403 UKHXLGHLGBINPM-HSZRJFAPSA-N 453.304 -0.433 50 20 JBGD CC(=O)N1CCN(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@](C)(Cl)CCl)C3)C2)CC1 1836767655 OFYAWWCTWJRYBS-WOJBJXKFSA-N 479.405 -0.157 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc3ncnn3c1)CCO2 1837171519 UFSYZIIOARJNQT-NRFANRHFSA-N 459.507 -0.828 50 20 JBGD CN(C)c1ncc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)o1 1837457220 YFZLVDQAKMCBTC-NRFANRHFSA-N 473.490 -0.877 50 20 JBGD Cc1cc(C(=O)NCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](F)Br)CCO3)no1 1839200834 QNLWKSBGVNEGAS-RHSMWYFYSA-N 477.287 -0.140 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCc3ccccc3O1)CCO2 1840136558 DDBNQOUBRLTRKT-DHLKQENFSA-N 480.326 -0.170 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3Cc4ccccc4CN3)C2)C1 1840183830 CEUWBWGOCCDHRN-RDPSFJRHSA-N 473.574 -0.470 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(C(=O)N(C)C)c1)CCO2 1840789487 KWCCMVXSLRRXCC-XMMPIXPASA-N 489.573 -0.169 50 20 JBGD CS(=O)(=O)Cc1ncccc1C(=O)N1CCCC12CN(C(=O)c1cnccc1C(=O)NN)C2 1842240631 GVWZRQFJIATEMI-UHFFFAOYSA-N 472.527 -0.245 50 20 JBGD COC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843011177 ZQCZMSRWCQBWKV-KRWDZBQOSA-N 461.324 -0.277 50 20 JBGD O=C(Cn1nnc2ccccc2c1=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 15633254 GJXVTMGHEKDRRK-UHFFFAOYSA-N 472.483 -0.726 50 20 JBGD Cc1ccc(C(=O)NNC(=O)COC(=O)c2cc(S(=O)(=O)N3CCOCC3)cn2C)cc1 18392793 VHGZTDCWEYUNOM-UHFFFAOYSA-N 464.500 -0.028 50 20 JBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NCC(C)(C)N3CCOCC3)nc2)CC1 915894233 IYYMCDWCZRKIGP-UHFFFAOYSA-N 455.585 -0.245 50 20 JBGD O=C(CCN1C(=O)c2ccc(Br)cc2C1=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 919888824 HAZQKRLKXKRBIP-SNVBAGLBSA-N 473.305 -0.047 50 20 JBGD Cc1noc(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cnccc3C(=O)NN)C2)n1 1779373440 RTVWWCGCIUNNGH-IIBYNOLFSA-N 457.491 -0.253 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H]1ON=C(c3ccccc3)O1)CCO2 1783934321 DQHLRULYTUWNMQ-FGZHOGPDSA-N 459.503 -0.076 50 20 JBGD O=C(CCn1c(=O)oc2ccccc21)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1785194821 WGHLVFXEIXLOHP-JLMWRMLUSA-N 493.325 -0.042 50 20 JBGD C[C@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(=O)n4[nH]nnc4n3)[C@H]2C1 1787270993 NTXYGTQWPBRULY-GMOBBJLQSA-N 454.285 -0.811 50 20 JBGD CCOC(=O)c1ncn2c1CC[C@@H](C(=O)N1C[C@@H]3COC[C@H](C1)[C@@H]3NC(=O)[C@@H](O)CCl)C2 1792983153 BESDZMKXQGIQFX-BIYBGRMPSA-N 468.938 -0.189 50 20 JBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCN1C(=O)OC(C)(C)C 1793632312 LZSHBLJCUWXPEA-RCJHGTSTSA-N 467.567 -0.042 50 20 JBGD CS(=O)(=O)N1CCC(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc(B(O)O)c2)C3)CC1 1797705777 LZANXKNTTUWTQJ-REPLKXPHSA-N 463.365 -0.710 50 20 JBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc3snnc3c1)C2 1797752916 LZVUSTCMRNKISP-DRXBFXEBSA-N 468.499 -0.398 50 20 JBGD CN(C)NC(=O)CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](CO)NC(=O)OC(C)(C)C)C2 1802333380 WPXVEYKFPIBHMP-FZKCQIBNSA-N 455.556 -0.117 50 20 JBGD CC(=O)N1CCN(CC(=O)NC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)[C@@H]2c2cccnc2)CC1 1809678546 NPCNGUPYYAUHAI-GBXCKJPGSA-N 487.605 -0.376 50 20 JBGD COC(=O)NCC(=O)N1CC[C@@H](CNC(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1810305915 QGDREKAOXBXBQT-KSSFIOAISA-N 455.475 -0.244 50 20 JBGD NC(=O)c1nccnc1C(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1811184102 FBUBCHPJSBAOIY-UZLBHIALSA-N 474.286 -0.716 50 20 JBGD CN1CCN(CC(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cnccc3C(=O)NN)[nH]n2)CC1 1818912850 JRVRIXDRZQVGGB-GOSISDBHSA-N 469.550 -0.039 50 20 JBGD O=C(C(O)O)N1CCO[C@]2(COCCN(C(=O)[C@@H](Br)Cc3ccccc3)C2)C1 1830404792 SGQRNQYSBQLCHP-KXBFYZLASA-N 457.321 -0.240 50 20 JBGD O=C(CCc1ccccn1)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1833185135 PXFUCWRGRLNYCO-HSZRJFAPSA-N 453.304 -0.536 50 20 JBGD Cn1cccc1C(=O)C(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834800608 SALPODXLJLCVCK-UHFFFAOYSA-N 466.347 -0.227 50 20 JBGD CCCC(=O)N[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3cccc(B(O)O)c3)CC2)CC1 1834800969 CYIVKBHXKPMEPH-QGZVFWFLSA-N 472.395 -0.144 50 20 JBGD COC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C2)C1 1834852309 JHXYCVUYENTVHZ-VQYZLWMVSA-N 463.491 -0.470 50 20 JBGD COc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)cn1 1835934029 KPSYDZJJAADZRN-JOCHJYFZSA-N 455.276 -0.846 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CC(=O)N(C4CCCC4)C3)C2)C1 1835934317 VJSPKTUTOCEJAD-CLOONOSVSA-N 499.373 -0.773 50 20 JBGD C[C@](Cl)(CCl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835939027 BZIJXNVEUXQCOM-OALUTQOASA-N 459.135 -0.327 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1Cc3ccccc3O1)CCO2 1836654052 MGLGNBHBSUHDDH-CVDCTZTESA-N 460.531 -0.181 50 20 JBGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCN3C(=O)C=CC3=O)C2)C1 1840030679 SNAHFDMTIFQQEC-SCLBCKFNSA-N 458.309 -0.459 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc4ncnn4c3)C2)C1 1840185152 KVEQMTUWTQXJGR-QFIPXVFZSA-N 473.534 -0.899 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](Cc1ccc(B(O)O)cc1)C(=O)N1CC2(CCCN2C(=O)C2CC(=O)C2)C1 1846993240 RTUUXIGUWINCLP-FQEVSTJZSA-N 499.373 -0.015 50 20 JBGD CCn1cnc2c1c(=O)n(CC(=O)NNC(=O)c1ccc(C(N)=O)cc1)c(=O)n2Cc1ccccc1 10161433 SDSWUYALTCRTOV-UHFFFAOYSA-N 489.492 -0.012 50 20 JBGD COc1ccc(CC(=O)NNC(=O)CCN2C[C@@H](C)O[C@H](C)C2)cc1S(=O)(=O)N1CCOCC1 912921135 MGMLGSPQTYROAN-IAGOWNOFSA-N 498.602 -0.095 50 20 JBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)NCCCN2CCN(c3ncccn3)CC2)c1 916267370 PMMQRAMYTFWKSO-UHFFFAOYSA-N 490.590 -0.117 50 20 JBGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)CCn1cc([N+](=O)[O-])cn1 919839730 QXGIBZCRDNXXHO-UHFFFAOYSA-N 480.503 -0.018 50 20 JBGD O=C(CCN1Cc2ccccc2C1=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1778182273 JHLDNBVBWCPPNJ-RUZDIDTESA-N 477.326 -0.144 50 20 JBGD Cc1c(Br)c(C(=O)N2CC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)nn1C 1780367268 SOSWTYWVWDANGW-HXUWFJFHSA-N 491.151 -0.072 50 20 JBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2)[C@@H]1CC[C@H]2CCC(=O)N2C1 1780605605 PWBKTEJSSOISLZ-AFPVUDKHSA-N 483.374 -0.105 50 20 JBGD COc1cccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cnccc4C(=O)NN)[C@H]3C2)n1 1788611435 BNUIVXCBNWVOBI-OWQGQXMQSA-N 454.487 -0.004 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ccc4ncnn4c3)[C@H]2C1 1789718362 YVBLNBFVBITTSA-BZSNNMDCSA-N 457.535 -0.376 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc4c(n3)NC(=O)CC4)C[C@@H]21 1791289201 NVNCYZISJPEICE-BQFCYCMXSA-N 472.546 -0.067 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ccc(O)cn3)[C@H]2C1 1791709737 PSUOHOKYSDTLAL-AGRHKRQWSA-N 454.487 -0.378 50 20 JBGD Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)ncc1[N+](=O)[O-] 1795734089 BCDJRYDEKGFRLR-CCWDJLKJSA-N 454.248 -0.505 50 20 JBGD COc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)c(C#N)c1 1795739965 WXMLCHVRVZVBCA-BBIADKPPSA-N 463.299 -0.307 50 20 JBGD CC(=O)Nc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)cc1O 1797753896 KMRCMEVIEKPLDD-YVWYUNDQSA-N 482.497 -0.134 50 20 JBGD O=C(Cc1ccc([N+](=O)[O-])cc1F)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1800401129 YEOIYBBBYQGOKM-VPTLXERWSA-N 471.250 -0.140 50 20 JBGD O=C(NC[C@H]1CCN(C(=O)c2cc(CO)on2)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807360265 JDSKJTKPDLKFGQ-OXQOHEQNSA-N 450.260 -0.125 50 20 JBGD CC(C)CNC(=O)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1808443935 NWUQCHZYTGUNLN-ICSRJNTNSA-N 452.320 -0.147 50 20 JBGD O=C(CCN1CCOC1=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1809528469 AEUZFKMGKWBJMB-NQIIRXRSSA-N 466.303 -0.077 50 20 JBGD CC(C)(C)OC(=O)N[C@H](O)C(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1811506322 BNMDSIQLVBLHFQ-YFVAEKQCSA-N 498.345 -0.076 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)c2cnc(O)nc2O)[C@H]1c1cccnc1 1813071533 UEHOSXSJULUDAV-KDOFPFPSSA-N 457.491 -0.025 50 20 JBGD CN1CCN(CC(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc(B(O)O)c3)[nH]n2)CC1 1818912089 PRZQZYPQTNMWIJ-LJQANCHMSA-N 454.340 -0.357 50 20 JBGD CC(C)(C)OC(=O)N[C@H](CCO)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1830881819 KWYNCTRGABSLEH-QEEYODRMSA-N 479.958 -0.682 50 20 JBGD O=C(CN1CCc2sccc2C1)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1832584782 RYCGKNDZMGHBSV-XMMPIXPASA-N 499.398 -0.444 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)c1ccccc1)CCO2 1835297505 PUIUMAKYFFJUQR-OFNKIYASSA-N 454.288 -0.830 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1835931012 CNAQMADYDUPFNV-WMLDXEAASA-N 459.077 -0.873 50 20 JBGD Cc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)nn1C 1837457210 XWOOGHCRRZQILR-OAQYLSRUSA-N 457.491 -0.889 50 20 JBGD CC(=O)OC[C@H](OC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCBr)C2)C1 1837494792 ATEIBGJDGIWBKU-MAUKXSAKSA-N 479.324 -0.277 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCC(OC2CCN(C(=O)C3=NNC(=O)C3)CC2)CC1 1838379333 FLYBMKZZJXNUFI-UHFFFAOYSA-N 457.491 -0.827 50 20 JBGD CN(CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCOC3)C2)C1)NC(=O)NCc1ccccc1 1839054038 CPTUDGITQFJRIJ-RDPSFJRHSA-N 489.573 -0.175 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)c1cc(Cl)c(O)cc1O)CCO2 1839252747 XDLNNJJHCQJELA-QFIPXVFZSA-N 490.705 -0.185 50 20 JBGD CCOC(=O)N[C@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](Br)CC)CCO2)C1 1839964920 JCAYMKZZLVDRRP-XNJGSVPQSA-N 466.329 -0.319 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1840185443 QPCLEFQHHXCCGO-GOEBONIOSA-N 453.309 -0.494 50 20 JBGD CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C(=O)N2CC3(CCCN3C(=O)c3ccc(B(O)O)cc3)C2)C1 1843011932 LENOZKFOVZHDIY-MSOLQXFVSA-N 473.335 -0.589 50 20 JBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)C3=CN4CCS(=O)(=O)N=C4C=C3)cc2)CC1 728213044 CIMKIUDTQSNFLA-UHFFFAOYSA-N 480.572 -0.437 50 20 JBGD CC[C@H](C)NC(=O)CN1CCN(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)CC1 728944395 BRORARXAUONSMR-AWEZNQCLSA-N 453.569 -0.134 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cn1nccn1)C2 1778092729 MYPTWMMNJNBQMW-AMODZNIKSA-N 456.507 -0.074 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(C1)CN(C(=O)c1c(O)cc(O)cc1O)CCO2 1779036723 DAQMAZREHIFJFS-OAQYLSRUSA-N 457.443 -0.441 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3CC(c4ccccc4)=NN3)C2)C1 1782600180 CCTJJDCQVVCGRE-GBXCKJPGSA-N 477.525 -0.105 50 20 JBGD C[C@H](Oc1ccccn1)C(=O)N1CC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1784491980 XQYFFRUGSZYOJP-OYHNWAKOSA-N 454.487 -0.009 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(=O)Nc3cccnc3)[C@H]2C1 1788715836 FPODHZIVNLVWOQ-KKXDTOCCSA-N 467.486 -0.688 50 20 JBGD CCCC(=O)N[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21 1788743508 ZQHWXBGWKMQHRM-BODMPHMZSA-N 460.535 -0.417 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)[C@@H]1ON=C(c2ccccc2)O1 1797641225 BUVPRCSQNWOHOY-ZQYRFBGISA-N 465.271 -0.696 50 20 JBGD CN(CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN1C(=O)C=CC1=O)C2)NC(=O)NCc1ccccc1 1799869746 ZWXAULLODWHOFE-REPLKXPHSA-N 482.541 -0.104 50 20 JBGD O=C(NC[C@@H]1CCN(C(=O)c2nc3ncccn3n2)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807361779 JKQZHYCKPPRXJH-HKUYNNGSSA-N 471.286 -0.168 50 20 JBGD CC[C@@H](NC(C)=O)C(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807366267 SQMUHIYEYQXWGB-CEWLAPEOSA-N 452.320 -0.004 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)c2cc(O)nc(O)n2)[C@H]1c1cccnc1 1808303962 NAPKKKSOMUFHQS-AUUYWEPGSA-N 457.491 -0.025 50 20 JBGD O=C(CCN1CCOC1=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1809531615 YFMODLNSGTUXSH-GHTZIAJQSA-N 466.303 -0.077 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H](CNC(=O)COc2ccc(O)nn2)[C@H]1c1cccnc1 1812351906 OZBOXSFDVKODIL-QVKFZJNVSA-N 492.496 -0.026 50 20 JBGD O=C(N[C@H]1CCc2nc(NC(=O)[C@@H]3CCCS3(=O)=O)sc2C1)c1cccc(B(O)O)c1 1824926979 BNKHMHIEDHDURK-BBRMVZONSA-N 463.346 -0.374 50 20 JBGD CS(=O)(=O)c1ccc(F)c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)c1 1830735696 LXLMJSDFJUSTLQ-APWZRJJASA-N 478.926 -0.101 50 20 JBGD CC(=O)N(C)[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1 1835125407 QAQOGPWEVDUAIT-MRXNPFEDSA-N 452.600 -0.202 50 20 JBGD CCc1nn(C)c(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)c1Cl 1835927473 PEFVEAWCFFUBLK-QFIPXVFZSA-N 490.753 -0.301 50 20 JBGD CCCc1onc(C)c1C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835928128 FKWADPUCUBTNAU-QHCPKHFHSA-N 471.319 -0.001 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1nc3ccccn3n1)CCO2 1836396408 QOWUNOJNKOLUEB-LRULAXNGSA-N 494.512 -0.067 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1837460047 ZTBSRHDKYRETSK-VCGLIYPTSA-N 490.517 -0.716 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(N(C)C)nc1)CCO2 1838198872 UEZHAXOLSLHBJV-JOCHJYFZSA-N 462.551 -0.409 50 20 JBGD CC(=O)C(=O)N1CCOC[C@@]2(CN(C(=O)CN(C)NC(=O)NCc3ccccc3)CCO2)C1 1839054052 DIPUEXNGUGDOJX-JOCHJYFZSA-N 461.519 -0.622 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnc3ccc(F)cn13)CCO2 1839592705 WFXMGJJHFNWKIV-QFIPXVFZSA-N 476.509 -0.084 50 20 JBGD CC(C)(C)OC(=O)NCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1839988061 TZULJAJKQMOFAO-JOCHJYFZSA-N 492.533 -0.720 50 20 JBGD C[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nccnc3C(N)=O)C2)C1 1840034580 QGNMEJURAGZNPE-DIFFPNOSSA-N 456.297 -0.571 50 20 JBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccnc3CS(C)(=O)=O)C2)C1 1840150653 OVFFRAXKHUVNRQ-OXJNMPFZSA-N 489.978 -0.050 50 20 JBGD C[C@@H](Cn1cccn1)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840183477 GUFCCQWFHHKEHE-LAUBAEHRSA-N 450.540 -0.651 50 20 JBGD O=C(CCc1cnccn1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2 1782579984 ZQEFHPATNVPLHY-NFBKMPQASA-N 452.320 -0.083 50 20 JBGD COC[C@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)Cc3cn4c(nc3=O)SCC4)CCO2)C1 1783880774 FNGDBDTYXYBWRG-LIRRHRJNSA-N 456.952 -0.025 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21)c1ncn2nc(N3CCOCC3)ccc12 1787176139 MTSKZPGNMFGPAV-ONIAQPFYSA-N 492.964 -0.241 50 20 JBGD CCNC(=O)N[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C(C)=N/NC(=O)c3ccc[nH]3)[C@H]2C1 1787508347 GHXRXLMUGCVZRU-HCWYZEPSSA-N 475.550 -0.192 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1cc(-c2ccccn2)[nH]n1 1798171835 JLUIBQQCWGDEKC-VPTLXERWSA-N 461.287 -0.332 50 20 JBGD COC[C@H](NC(C)=O)C(=O)N1CC[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1 1813072140 ASSWXFHSRZYINA-BBTUJRGHSA-N 462.551 -0.389 50 20 JBGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H](O)N1CCOCC1)CC2 1826088652 ZEEQWLKEYQHJPG-KZULUSFZSA-N 454.553 -0.921 50 20 JBGD O=C([C@@H]1C[C@H](O)CN1)N1CC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCN2C(=O)OCc1ccccc1 1828551079 HZYURENDTSJYPM-KGYLXKDPSA-N 494.976 -0.239 50 20 JBGD C[C@@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)CNCP(=O)(O)O)C2)C1 1830537098 BHEWDLDMCVFBEU-WFASDCNBSA-N 472.273 -0.801 50 20 JBGD C[C@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1830537406 GWEXOPYVHIWBMU-AUUYWEPGSA-N 469.141 -0.533 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CN1CCc3sccc3C1)CCO2 1832590593 HWJNMMLUOMNIIM-QHCPKHFHSA-N 493.630 -0.064 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCC(N2CCC(NC(=O)C(=O)N(C)C)CC2)CC1 1834631170 ASTYXZPUSGPRBR-MFKUBSTISA-N 459.551 -0.220 50 20 JBGD C[C@@H](C(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1)N1CCN(C)CC1 1834798321 HDEATTKYBXNMLU-IBGZPJMESA-N 485.438 -0.813 50 20 JBGD CC(=O)c1cc(C(=O)N2CCC(N3CCC(NC(=O)c4cccc(B(O)O)c4)CC3)CC2)n[nH]1 1834799888 KXVKQFOFALEBHO-UHFFFAOYSA-N 467.335 -0.209 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CNc3ccccc31)CCO2 1835716570 YKEOCVUYZZSQTN-GBXCKJPGSA-N 465.315 -0.354 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3Cc4ccccc4O3)C2)C1 1835930429 IMCOGLIRKXCUMU-URXFXBBRSA-N 466.299 -0.560 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4ccccc34)C2)C1 1835930781 ZIBHYULLGUKVNK-QHCPKHFHSA-N 464.287 -0.374 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)c3cccc4c[nH]nc34)C2)C1 1835935807 SIGBPRMDADRMCG-QHCPKHFHSA-N 464.287 -0.374 50 20 JBGD COc1nccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)c1F 1836238087 UIKWYGZZFQTDQY-JOCHJYFZSA-N 488.476 -0.388 50 20 JBGD Cn1cc(F)cc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837457493 FHZZESRNQPYXCW-OAQYLSRUSA-N 460.466 -0.454 50 20 JBGD O=C1NCCn2nc(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)[C@@H](F)Br)CCO4)cc21 1839197596 BSEKKKQJIOXSDE-CXAGYDPISA-N 474.287 -0.613 50 20 JBGD O=C([C@H](F)Br)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCCS1(=O)=O)CCO2 1839784737 TZDXWPMKNDCCCE-XUJVJEKNSA-N 457.318 -0.290 50 20 JBGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(N4CCN(C)CC4)CC3)C2)C1 1840154043 IWHANABZJBYTEX-XLIONFOSSA-N 458.987 -0.523 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1CCC(O)CC1)CCO2 1840275087 UCMMIRJTWAXEAW-WTOQYCPUSA-N 461.519 -0.694 50 20 JBGD Cc1ncc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)s1 1840399501 RUKOYLGTVNYCRL-NRFANRHFSA-N 459.333 -0.556 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC2(CCCN2C(=O)C[C@H](O)CNC(=O)OC(C)(C)C)C1 1845231647 ALDTUGDZZZYJEL-HNNXBMFYSA-N 455.556 -0.162 50 20 JBGD C[C@@H]1CN(S(=O)(=O)c2cc(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)ccc2Cl)C[C@@H](C)O1 729276198 YWNMVLKEJTZNHD-IJLUTSLNSA-N 496.995 -0.163 50 20 JBGD COc1ccc(C(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)cc1S(=O)(=O)N1CCOCC1 1317719139 LDUAUYQJRGLVOU-HNNXBMFYSA-N 461.562 -0.178 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@@]2(CCN(C(=O)C(=O)Nc3cccnc3)C2)C1 1779201982 NLXZEMSRYNXZCQ-QVGKIPNLSA-N 467.486 -0.016 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1CCNC(=O)C1)C2 1779375810 UBYBFZMHXVYYLU-UZSYQUHHSA-N 458.519 -0.661 50 20 JBGD C[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1)n1cccc1C=O 1786979717 BHBKZPGBBYZPOW-OQRYQMPQSA-N 453.304 -0.165 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])c4c3OCO4)C[C@@H]21)c1ccc(B(O)O)cc1 1786981008 KSKCYWSZCSAILH-FNHZYXHNSA-N 497.269 -0.090 50 20 JBGD CC(C)(C)OC(=O)N1CC[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](O)CCl)C3)[C@H](O)C1 1792449531 GQURXQOVUTYRFN-OIBBZDHESA-N 475.970 -0.206 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(=O)nc2cccnn12 1798497772 YYZHUOTXYQRRRM-DFZQMDCHSA-N 492.496 -0.573 50 20 JBGD CC(C)[C@@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN(C)NC(=O)NCc1ccccc1 1799094874 FRFZLCUEKKQDPT-KOUHRCEDSA-N 461.563 -0.061 50 20 JBGD CN(CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc[nH]1)C2)NC(=O)NCc1ccccc1 1799095122 UQBANVNZDHGHJI-XEMDLRDOSA-N 455.519 -0.041 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@H]1CCN(C(=O)CN2C(=O)C=CC2=O)[C@H]1c1cccnc1 1810304186 ANAIDQIGGYTDJM-VFNWGFHPSA-N 477.481 -0.675 50 20 JBGD C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1830300497 UFIKLDVQCYOHIB-HJPURHCSSA-N 491.350 -0.650 50 20 JBGD CC(C)(C)OC(=O)CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1831990991 WJFBQHLCGUVDSP-JOCHJYFZSA-N 477.518 -0.513 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cncnc1)CCO2 1834303407 IWBMADGICMBXPV-XAOCGEIJSA-N 455.475 -0.319 50 20 JBGD O=C(c1cc(O)nc(Cl)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835927393 NTFRIXPVDJNYBF-OAQYLSRUSA-N 475.694 -0.496 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)c3[nH]cnc3-c3cccnc3)C2)C1 1835931208 IMEJBAKBRGLYEX-XMMPIXPASA-N 491.313 -0.465 50 20 JBGD O=C1Cc2cccc(C(=O)N3CCOC[C@@]4(CN(C(=O)c5cccc(B(O)O)c5)CCO4)C3)c2N1 1835939080 DSVDGSLHRZJYEU-XMMPIXPASA-N 479.298 -0.755 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)c1cnc3[nH]ncc3c1)CCO2 1836810120 MPYAXUXAEYDZFJ-JOCHJYFZSA-N 465.275 -0.979 50 20 JBGD Cc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)c4cnccc4C(=O)NN)CCO3)C2)n(C(F)F)n1 1837460251 YLPHBVBEXGQGBU-NRFANRHFSA-N 493.471 -0.031 50 20 JBGD CCN1CCC(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)CC1 1840928155 WLVNIGFDWQURID-QHCPKHFHSA-N 459.352 -0.832 50 20 JBGD CCn1c(=O)c2ccccc2n(CC(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c1=O 16594225 BLIRVRVPYMXMFK-UHFFFAOYSA-N 473.511 -0.105 50 20 JBGD O=C(NNC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1)c1cccc(S(=O)(=O)N2CCOCC2)c1 914710178 JDJSLUQWWTXQDE-CYBMUJFWSA-N 478.449 -0.121 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(C1)CN(C(=O)c1cccc3c1NC(=O)C3)CCO2 1779036942 KECPQDAUIUCJNU-HSZRJFAPSA-N 464.482 -0.063 50 20 JBGD C[C@H](Nc1cnccn1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2 1779388533 CRVWMOFGDIYHFT-XKDCRVNJSA-N 467.335 -0.216 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@]2(CN(C(=O)CN3CCNC3=N)CCO2)C1 1780096731 GNWZJYAEOMZYHL-NRFANRHFSA-N 474.474 -0.196 50 20 JBGD COC[C@@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]c4c3CS(=O)(=O)C4)C[C@@H]21 1791254982 ZAGWKJTUKLXFKZ-MEDZGJRSSA-N 460.940 -0.315 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(OCCCO)cc1)C2)c1cccc(B(O)O)c1 1795740256 KWHSUOPLTFKENJ-HATOLVCRSA-N 468.315 -0.355 50 20 JBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccnc3c1OCO3)C2 1797753151 VODVLARVCBNMBC-DRXBFXEBSA-N 454.443 -0.674 50 20 JBGD COC(=O)[C@H]1CC=CC[C@@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1800950742 JZBKHOVHYKSQGM-DLRXZHIHSA-N 456.304 -0.675 50 20 JBGD O=C(NC[C@H]1CCN(C(=O)Cn2ccncc2=O)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807373133 NFFMIVCUDBVWLI-GCJKJVERSA-N 461.287 -0.662 50 20 JBGD CN1CCN(C2(C(=O)NC[C@H]3CCN(C(=O)c4cccc(B(O)O)c4)[C@H]3c3cccnc3)CC2)CC1 1807939554 BQRDAEPHBOBBSF-GGAORHGYSA-N 491.401 -0.139 50 20 JBGD CCOC(=O)N[C@H](O)C(=O)NC[C@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1810093815 IKBVKUOZLHAUOE-XFQXTVEOSA-N 464.523 -0.475 50 20 JBGD O=C(Nc1cc([C@H]2CCCCN2C(=O)[C@H](O)N2CCOCC2)[nH]n1)c1ccc(B(O)O)cc1 1817472546 WNVIKSRDAQSVOX-XLIONFOSSA-N 457.296 -0.954 50 20 JBGD CCOC(=O)N[C@H](O)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCC(=O)NN(C)C)[nH]n1 1819243245 BSBCYOGAZQHVTO-SCLBCKFNSA-N 453.500 -0.161 50 20 JBGD COC[C@@H](NC(C)=O)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CCC(=O)NN(C)C)CC2 1820197716 PPVCLPWHBYEVCJ-TZMCWYRMSA-N 454.553 -0.421 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)CN(CCO)CCO)CC1 1831488582 RDBPHFKBQSMPAX-IBGZPJMESA-N 455.600 -0.734 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1COc3ccccc3O1)CCO2 1832492726 ONASZEFVTBSTGP-XUZZJYLKSA-N 482.298 -0.724 50 20 JBGD CCOC(=O)N[C@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)CCBr)CCO2)C1 1834823341 OYBHGQNCKQLRAY-CZUORRHYSA-N 452.302 -0.708 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)c3nc(Cl)ccc3F)C2)C1 1835927599 UXRIYJVMIWOVDJ-NRFANRHFSA-N 477.685 -0.062 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4cccc(F)c34)C2)C1 1835939376 OQNXKJNUNQJKGC-QHCPKHFHSA-N 482.277 -0.234 50 20 JBGD CCOC(=O)N[C@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@](C)(Cl)CCl)C2)C1 1837209344 POLAMMRZLWFRFP-DQYPLSBCSA-N 456.323 -0.256 50 20 JBGD CCOC(=O)O[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837459327 CQCGFFSCSKNVHB-SZNDQCEHSA-N 479.490 -0.683 50 20 JBGD CCNC(=O)N[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1837921303 WRRDVTTVRASSSS-INIZCTEOSA-N 474.367 -0.314 50 20 JBGD O=C(c1ccc(-n2c(O)nnc2O)cc1)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1838604390 NTPIBDBNAHRPMM-MGPUTAFESA-N 481.893 -0.652 50 20 JBGD O=C1NCCCn2nc(C(=O)N3CCOC[C@]4(C3)CN(C(=O)[C@@H](F)Br)CCO4)cc21 1839200031 AHHAOYUXVUOSDR-KDOFPFPSSA-N 488.314 -0.223 50 20 JBGD Cc1cc(C(=O)NCC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)Br)CCO3)no1 1840033547 ISNYUKXFKDGDOO-ACJLOTCBSA-N 473.324 -0.047 50 20 JBGD CCS(=O)(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](Cl)COC)CCO2)C1 1840150745 QHRLZPJCBGSTFL-JKIFEVAISA-N 455.961 -0.976 50 20 JBGD CC[C@@H](O)C(=O)N1CCCC12CN(C(=O)[C@H](Cc1ccc(B(O)O)cc1)NC(=O)OC(C)(C)C)C2 1841280521 FYEVNVLWSYEQIN-RBUKOAKNSA-N 489.378 -0.224 50 20 JBGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)CNS(=O)(=O)c1cn(C)c(C)n1 750663049 KOFBLXVZTCHTCG-UHFFFAOYSA-N 457.538 -0.930 50 20 JBGD CCNC(=O)N[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)CCO2)C1 1778953452 HPXGTCUXPHBNQN-OODIIAGWSA-N 461.523 -0.342 50 20 JBGD C[C@H](NC(=O)c1ccc(F)cc1)C(=O)N1CC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1780904429 IUFAKMSMTNKHHN-FYSMJZIKSA-N 483.305 -0.233 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1nccnc1C(N)=O)C2 1782212253 MFGLMYVPAPYJCM-SPLOXXLWSA-N 461.523 -0.924 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(N)=O)C[C@@H]21 1785079734 WSPVFPAVYDXZOU-XUXIUFHCSA-N 461.947 -0.234 50 20 JBGD C[C@H](Nc1cnccn1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786984253 VFTMXISNDZLQEI-CBVHJVASSA-N 453.308 -0.750 50 20 JBGD CC(C)n1cnc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cnccc4C(=O)NN)C[C@@H]32)n1 1787669136 JAVASJFVOFDBFF-JQFCIGGWSA-N 456.507 -0.235 50 20 JBGD Cn1ccc(=O)cc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1 1788609982 JEFSTDWMTDHSJM-IXDGSTSKSA-N 454.487 -0.709 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)[C@H]1CC[C@H]2CCC(=O)N2C1 1789768252 BZQWTPNKCLGCOY-XYYCENQHSA-N 469.347 -0.639 50 20 JBGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCc2nc(O)nc(O)c2C1 1794111790 WDNWRIJDZGUQGA-VOZNZKSSSA-N 454.911 -0.164 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccccc1C(N)=O 1799625139 ZWJDQRFACBRPKU-IVWMJMPLSA-N 452.471 -0.699 50 20 JBGD CCS(=O)(=O)N[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1 1817470252 NFDSJFUYPGACOZ-DYVFJYSZSA-N 477.352 -0.277 50 20 JBGD CN1CCN(CC(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(B(O)O)cc3)n[nH]2)CC1 1817471558 IIGWNVKBMPTBPV-LJQANCHMSA-N 454.340 -0.357 50 20 JBGD C[C@H](NC(=O)c1ccccc1)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](O)CCl)CCO2)C1 1830738724 SJFVVNPWAMXORT-XPIZARPCSA-N 453.923 -0.139 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1COc3ccccc3O1)CCO2 1832493512 RPEIKOPBUAGLGX-QPPBQGQZSA-N 482.298 -0.724 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)c3cnn4cccnc34)CC2)CC1)c1cccc(B(O)O)c1 1834800040 NHRIEGMRZNSULA-UHFFFAOYSA-N 476.346 -0.092 50 20 JBGD Cc1ccccc1NCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835928401 NWLLDZKPWBDVCJ-DEOSSOPVSA-N 467.331 -0.143 50 20 JBGD O=C(c1cnc2[nH]ncc2c1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835930713 VUEVUHAHBAEXPK-QFIPXVFZSA-N 465.275 -0.979 50 20 JBGD Cc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)ccc1O 1835931953 IULXXRUNDFHIAB-QHCPKHFHSA-N 454.288 -0.236 50 20 JBGD C[C@@H](C(=O)NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1)n1ccnn1 1836513678 MKYZYVLPTBBJCQ-INIZCTEOSA-N 454.340 -0.596 50 20 JBGD COc1cccc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)n1 1837457234 YRDZZDUGOYVEKL-DEOSSOPVSA-N 498.540 -0.209 50 20 JBGD C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1)n1ccccc1=O 1837687360 UXSUQCQGRRVVJE-MWTRTKDXSA-N 484.513 -0.822 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cnnn3)C2)C1 1838528382 UPSVCSKSBPIXGI-FQEVSTJZSA-N 489.445 -0.723 50 20 JBGD C[C@@](Cl)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nccnc3C(N)=O)C2)C1 1839153204 DBEYKPSPVNUXDN-QZTJIDSGSA-N 460.318 -0.118 50 20 JBGD COC[C@H](NC(C)=O)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@](C)(Cl)CCl)CCO2 1839154043 ZQAJCGABEIAEEK-JCGIZDLHSA-N 454.351 -0.170 50 20 JBGD O=C(CCc1cccc(O)c1)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1840265817 AXRLTYLVYYNKTN-DEOSSOPVSA-N 468.315 -0.225 50 20 JBGD O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)c1ccc(-n2cnnn2)cc1 807136243 YKCXWCZEFOLKGB-UHFFFAOYSA-N 486.514 -0.173 50 20 JBGD CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)NNC(=O)CCN2C[C@H](C)O[C@@H](C)C2)cc1 912924758 LZAMHCRBZKTYSP-KBPBESRZSA-N 455.537 -0.430 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(C1)CN(C(=O)c1[nH]nc3ccncc13)CCO2 1779030685 UEQHYOYEBUXRNM-OAQYLSRUSA-N 450.459 -0.286 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](O)Cc1ccccc1)CCO2 1779033813 FDCGYNRHUBTWHI-XXBNENTESA-N 453.499 -0.268 50 20 JBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2)c1cc2n(n1)CCC2 1779121351 BDGUNRDDYIEIRD-NFBKMPQASA-N 452.320 -0.050 50 20 JBGD CN(CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1=NN(C)C(=O)CC1)NC(=O)NCc1ccccc1 1793788523 RFZFZVSKFKTJHZ-OPMZPASUSA-N 499.572 -0.470 50 20 JBGD C[C@H](NC(=O)c1cnccn1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCBr)C2 1797865759 LJPLHWRYZXEVJJ-JFILPPLUSA-N 454.325 -0.031 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1[nH]cnc1-c1cccnc1 1798491291 ZMVHDPPMBKBHSJ-IZZQQSIFSA-N 461.287 -0.332 50 20 JBGD C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1800863789 CERIUTFAPFFYJE-NYCLONFESA-N 461.324 -0.517 50 20 JBGD O=C(NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807371425 UWFQULUYIXVPGQ-KNQAVFIVSA-N 473.103 -0.925 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H](CNC(=O)c2nccnc2C(N)=O)[C@@H]1c1cccnc1 1811187488 OWGWAVKBRGYWBU-KUHUBIRLSA-N 489.496 -0.398 50 20 JBGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2n[nH]c3c2CS(=O)(=O)C3)[nH]n1)c1ccc(B(O)O)cc1 1817470956 ANTSBCFCVIUZBP-KRWDZBQOSA-N 498.330 -0.139 50 20 JBGD C[C@@H](O)C(=O)N1CC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCN2C(=O)OCc2ccccc2)C1 1829000413 HPFMFMFIMAZJPN-IQGLISFBSA-N 495.341 -0.187 50 20 JBGD CC(=O)Nc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)n1 1833340050 ZYXZUDLVTKOKQR-QFIPXVFZSA-N 476.534 -0.517 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCC(N2CCC(NC(=O)c3cccc(=O)n3O)CC2)CC1 1833963551 MXBPJFPTCJTTIU-UHFFFAOYSA-N 462.551 -0.356 50 20 JBGD NC[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1)c1ccccc1 1835812082 PCIZDSIUWFFOQA-XUZZJYLKSA-N 467.331 -0.821 50 20 JBGD CNC(=O)CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc([N+](=O)[O-])ccc1OC(C)=O)CCO2 1838527282 LUTASFXXEYZDEO-OAQYLSRUSA-N 478.458 -0.274 50 20 JBGD Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)n(C(F)F)n1 1838711900 DBYQXJBVVLWZRS-NRFANRHFSA-N 478.261 -0.350 50 20 JBGD CC(C)NC(=O)OC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1839072397 APBBHAQKNPOMKS-HSZRJFAPSA-N 491.350 -0.650 50 20 JBGD CCN(CC)C[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1839677667 HTRCRHNHEODRTN-HXOBKFHXSA-N 476.578 -0.267 50 20 JBGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1840153661 XDNOZGKPHNUVHP-BEFAXECRSA-N 455.899 -0.991 50 20 JBGD O=C(CNC(=O)C(F)(F)F)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1840204322 DIYRCKAHMVPUNY-GXFFZTMASA-N 464.210 -0.188 50 20 JBGD CS(=O)(=O)Cc1ccc(C(=O)N2CC3(CCCN3C(=O)c3cccc(B(O)O)c3)C2)cn1 1843013714 DFHFXBMFZULPRO-UHFFFAOYSA-N 457.317 -0.563 50 20 JBGD CCOc1ccc(O[C@H](C)C(=O)NNC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 18071812 HZWQRLZVVUCSBC-CYBMUJFWSA-N 458.475 -0.163 50 20 JBGD COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)NNC(=O)CNC(=O)c3ccco3)CC2)c1 725871399 BGNBZFDXSMXCOD-UHFFFAOYSA-N 495.514 -0.226 50 20 JBGD COc1ccc(CCN2C[C@H](C(=O)NNC(=O)[C@@H]3CCS(=O)(=O)C3)CC2=O)cc1OC 728382568 YLAFCNNPKQDLPG-HUUCEWRRSA-N 453.517 -0.323 50 20 JBGD CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)NNC(=O)CN2CCCC2=O)c1 920435802 NUGZCDFYXASAOU-UHFFFAOYSA-N 453.521 -0.843 50 20 JBGD C[C@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2)[C@@H]1SC(=N)NC1=O 1778081650 PUMJJKKMRCQNTB-QBCAUPEHSA-N 488.375 -0.704 50 20 JBGD O=C(/C=N/N1CCCCC1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2 1779362895 UXPJEWDHLKPBBW-BYLPDHQTSA-N 456.352 -0.034 50 20 JBGD CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCC(=O)NN(C)C)C1 1782214775 ZPMKNBBQBPKFRY-DNVFCKCGSA-N 491.593 -0.656 50 20 JBGD CN(CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CCC(=O)N3)[C@H]2C1)NC(=O)NCc1ccccc1 1786676102 YRNUMKBWEFPKJL-HAGHYFMRSA-N 486.573 -0.409 50 20 JBGD COC(=O)N[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1ccccc1 1792799877 KZWWWOLQHXPVHC-KOUHRCEDSA-N 481.314 -0.333 50 20 JBGD Cn1c(=O)n(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc(B(O)O)c2)C3)c2ccccc21 1797746389 FXSCYBBBQNXBPI-REPLKXPHSA-N 462.315 -0.028 50 20 JBGD COC(=O)c1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)s1 1797753225 ZROXKQSGSWTYFH-DBWKPXFBSA-N 487.538 -0.021 50 20 JBGD NC(=O)c1ncccc1C(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807369581 PBBXDWABGIIKDK-UWJYYQICSA-N 473.298 -0.111 50 20 JBGD O=C1NCCn2nc(C(=O)N3CCCC[C@@H]3C3CCN(C(=O)c4cccc(B(O)O)c4)CC3)cc21 1826198231 WTVZDGJORVBUKO-HXUWFJFHSA-N 479.346 -0.147 50 20 JBGD Cc1nnc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)s1 1833018278 RSUIAMFNCQAAMD-OAQYLSRUSA-N 474.348 -0.771 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(=O)n1C)CCO2 1833871689 JZGWVNYAVQKICD-DZQSVEARSA-N 484.513 -0.411 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)c3cccc(O)n3)CC2)CC1)c1ccc(B(O)O)cc1 1834797280 BSKAOURHTJCODA-UHFFFAOYSA-N 452.320 -0.034 50 20 JBGD Cc1cn(CC(=O)N2CCOC[C@@]3(CN(C(=O)CCBr)CCO3)C2)c(=O)nc1O 1834826261 HYDWSIHNZHJWES-GOSISDBHSA-N 473.324 -0.501 50 20 JBGD Cc1nc(CC(=O)N2CCC(N3CCC(NC(=O)c4cnccc4C(=O)NN)CC3)CC2)no1 1835736932 BBBXVOLEJZSNCU-UHFFFAOYSA-N 470.534 -0.196 50 20 JBGD Cc1ccncc1CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835935285 MRWWDQVXRLOSBT-DEOSSOPVSA-N 467.331 -0.227 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4ccccc34)C2)C1 1835937437 WJZCIYUESLLNOR-HSZRJFAPSA-N 464.287 -0.374 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1nccc3occc13)CCO2 1836290869 VHXXXXXQGQAQPR-HSZRJFAPSA-N 465.271 -0.109 50 20 JBGD CCOC(=O)N[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)CBr)C2)C1 1837202718 WRLMIEVGCKDTCV-XNJGSVPQSA-N 466.329 -0.462 50 20 JBGD C[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1)c1ccccn1 1837460499 GVFYNXPFBGJLLZ-WAIKUNEKSA-N 468.514 -0.046 50 20 JBGD CC[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCS(=O)(=O)CC3)C2)C1 1839963079 ZLJKKNSORKZSPM-QAPCUYQASA-N 496.424 -0.653 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCc3ccccc3O1)CCO2 1840136560 DDBNQOUBRLTRKT-RDGATRHJSA-N 480.326 -0.170 50 20 JBGD CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N2CC3(CCCN3C(=O)c3cccc(B(O)O)c3)C2)C1 1843015193 RXVALCJSFFVGTP-HSZRJFAPSA-N 473.335 -0.445 50 20 JBGD Cn1ncc2c(=O)n(CC(=O)NNC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)cnc21 10124845 PNJBVEMLBYWFOZ-UHFFFAOYSA-N 459.488 -0.624 50 20 JBGD O=C(NNc1ccc(S(=O)(=O)NC2CC2)cc1)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 728210065 QAVJPHDAHFGANF-DOMZBBRYSA-N 456.546 -0.394 50 20 JBGD O=C(CN1CCCC1=O)NNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 920432435 ADZHHPOAHHMSKP-CYBMUJFWSA-N 453.477 -0.235 50 20 JBGD CN(CC(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3C[C@@H](O)C3)C2)C1)NC(=O)NCc1ccccc1 1778132197 FHFARNIQFWLVOC-SELNLUPBSA-N 459.547 -0.067 50 20 JBGD C[C@@H](NNc1ccccc1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1783552756 QDKPOSMSXJCZOQ-QQOZLPODSA-N 466.347 -0.035 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc4nc(CO)[nH]c4c3)C[C@@H]21)c1cccc(B(O)O)c1 1786982773 BAWOIQJERBUEFS-MDKPJZGXSA-N 478.314 -0.358 50 20 JBGD COc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)cc1OC 1795739722 FWJCUDLEIDFXST-UPHUGPLXSA-N 454.288 -0.099 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(=O)c1ccco1 1795847273 PGEZEENECGIUJW-DHMDNZFNSA-N 470.486 -0.267 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1nc(N)n[nH]1 1797623931 JJOLVZCISWZLLG-GPVAFHQSSA-N 457.495 -0.957 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(B(O)O)cc1)C2 1804434268 PYVCLQPZCYPBEV-MHORFTMASA-N 488.350 -0.613 50 20 JBGD CNC(=S)NCCC(=O)N1CC[C@H](CNC(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1810302638 MACVFLJZOAYCBO-DNVCBOLYSA-N 484.586 -0.116 50 20 JBGD Cc1cn(CC(=O)NC[C@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)c(=O)nc1O 1814038936 IOTHFSKDHGQDCK-NQIIRXRSSA-N 491.313 -0.648 50 20 JBGD COC[C@@H](NC(C)=O)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1819608712 XCOYNJZNJAQDCC-QZTJIDSGSA-N 457.296 -0.454 50 20 JBGD Cn1c(C(=O)N2CCC(N3CCC(NC(=O)c4cccc(B(O)O)c4)CC3)CC2)cccc1=O 1834800001 NOUGWOFRQAIVID-UHFFFAOYSA-N 466.347 -0.436 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)c3cc(-c4ccncc4)[nH]n3)C2)C1 1835931282 KZBAVBCIYRPOPY-XMMPIXPASA-N 491.313 -0.465 50 20 JBGD COc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)c(F)c1 1835931823 DIYDDEXNKOQWQR-HSZRJFAPSA-N 472.278 -0.102 50 20 JBGD C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835933749 CCFVOJCCXMISBI-QMHKHESXSA-N 491.350 -0.650 50 20 JBGD COc1cncc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)c1 1835935220 IIYADEQJDNYJBI-XMMPIXPASA-N 483.330 -0.527 50 20 JBGD COc1ncccc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835935223 IRTVNPGZUYKJTM-JOCHJYFZSA-N 455.276 -0.846 50 20 JBGD C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1840089432 QVKPDVJZIDCNHH-MWTRTKDXSA-N 491.350 -0.650 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(O)c(F)c3)C2)C1 1840185166 MKHNSWNVIZVAHI-NRFANRHFSA-N 452.483 -0.026 50 20 JBGD COC(=O)C12CC(C(=O)N3CCOC[C@@]4(CN(C(=O)CCC(=O)NN(C)C)CCO4)C3)(C1)C2 1840185494 QZFVRCONGCAKNI-LZBANZJXSA-N 466.535 -0.841 50 20 JBGD CC(C)(C)OC(=O)N1CC[C@@H](O)[C@H](C(=O)N2CCCC23CN(C(=O)c2cccc(B(O)O)c2)C3)C1 1843823138 MTEYJOBPJXIIQA-RTBURBONSA-N 487.362 -0.199 50 20 JBGD O=C(NNc1ccc(S(=O)(=O)NC2CC2)cc1)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 728211412 RKFZYPJXWJTBHZ-OAHLLOKOSA-N 451.549 -0.249 50 20 JBGD O=C(NNC(=O)N1CCOCC1)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 745992227 WVWLARWWAMWOBL-UHFFFAOYSA-N 483.547 -0.769 50 20 JBGD CCS(=O)(=O)N1CCC(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)CC1 747405846 PQAHDJWWEIYTPP-UHFFFAOYSA-N 488.588 -0.470 50 20 JBGD CCn1cnc2c1c(=O)n(CC(=O)NNC(=O)C(=O)c1cnn(C)c1)c(=O)n2Cc1ccccc1 748531228 HLWHPFAFLMJWBA-UHFFFAOYSA-N 478.469 -0.808 50 20 JBGD CCn1cnc2c1c(=O)n(CC(=O)NNC(=O)CN(C)C(C)=O)c(=O)n2Cc1ccccc1 914755728 SXGUKHSWCSVCEZ-UHFFFAOYSA-N 455.475 -0.946 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@@]2(CCN(C(=O)CNC(=O)c3cc(C)on3)C2)C1 1779123649 GQPDCBLJZVQYDF-BHSKHCGUSA-N 485.501 -0.323 50 20 JBGD CN(CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3CCC(=O)N3C)C2)C1)NC(=O)NCc1ccccc1 1781369996 RWWJZAXHRKCZKV-CYFREDJKSA-N 486.573 -0.217 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CC(c4ccccc4)=NN3)C2)C1 1782604124 BYXCELHTYHUWTR-AUSIDOKSSA-N 456.547 -0.045 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nc4ccc(F)cn4n3)[C@H]2C1 1790526674 AZCABIRZHLSVIL-BPUTZDHNSA-N 461.498 -0.165 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CC[C@H]4CCC(=O)N4C3)C[C@@H]21 1791290943 SUGJXMUBTOQARZ-VMXHOPILSA-N 463.579 -0.260 50 20 JBGD CN(CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc[n+]([O-])cc1)NC(=O)NCc1ccccc1 1798361278 KNSNHNVEGWEABB-VTYHHJSWSA-N 482.541 -0.131 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@H]2CCC(=O)N2C1 1799149173 WVEPELGZXYBMIF-YTKSKTJISA-N 470.530 -0.711 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807361465 QCTPTABBNLBPPI-UTKZUKDTSA-N 488.313 -0.607 50 20 JBGD C[C@@H](C(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)N1CCN(C)CC1 1807372558 GAYLLUSJYSIJJY-ZEYPLWLESA-N 479.390 -0.283 50 20 JBGD CCS(=O)(=O)N[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827048852 AKWZXLGMPZCMRU-OXQOHEQNSA-N 479.408 -0.073 50 20 JBGD CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](O)CCl)CCO2)C1 1830722442 BVLRVVFIPIUYGB-CMBDLQSPSA-N 491.969 -0.587 50 20 JBGD CCS(=O)(=O)CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)CBr)C2)C1 1831331419 BHAFTTWBJDXETA-BBRMVZONSA-N 455.371 -0.092 50 20 JBGD Cc1noc(C)c1CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835927869 ZDXYCVHIPQBKBE-JOCHJYFZSA-N 457.292 -0.716 50 20 JBGD COc1cccc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)n1 1835935677 ZNDZORWITORPKM-DEOSSOPVSA-N 483.330 -0.527 50 20 JBGD COC(=O)[C@@H]1CC[C@@H](C(=O)N2CCOC[C@@]3(CN(C(=O)c4cnccc4C(=O)NN)CCO3)C2)C1 1837456425 MTNRZOHLNUSSTL-LNPFQXMTSA-N 489.529 -0.656 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c[nH]c4nccc-4c3)C2)C1 1837457906 VNMUKQZWCJDXFR-HSZRJFAPSA-N 479.497 -0.103 50 20 JBGD C[C@H](CBr)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)N1CCOCC1)CCO2 1837512388 JTGMEVYVYJXDCX-QGPMSJSTSA-N 464.357 -0.876 50 20 JBGD Cc1nc(F)ccc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1838266798 IKJPNWDTEJLHOT-JOCHJYFZSA-N 472.477 -0.089 50 20 JBGD C[C@H](Nc1cnccn1)C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840185636 RBMNAFWWNODFMZ-KKSFZXQISA-N 463.539 -0.894 50 20 JBGD C/C(=C/C(=O)N1CCO[C@@]2(COCCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C2)C1)C(=O)O 1840837340 XWKLDYZQSKDUEW-VQYZIPNBSA-N 461.475 -0.392 50 20 JBGD CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)NNC(=O)c1cc(Br)c[nH]1 807148909 OBPAPKBJTICMQT-SNVBAGLBSA-N 450.315 -0.243 50 20 JBGD C[C@H](NC(=O)c1ccccn1)C(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779037315 VOSGNYSUKVOWSO-WNSKOXEYSA-N 481.513 -0.658 50 20 JBGD COC(=O)[C@@H]1CC[C@@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)C1 1784082050 QQTMYXIWFIBZLD-QMALUCSJSA-N 458.320 -0.451 50 20 JBGD Cn1cccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cnccc4C(=O)NN)[C@H]3C2)c1=O 1788611637 NUTJQGGZYKITTM-KKXDTOCCSA-N 454.487 -0.709 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCC(=O)N1 1795388174 NYFIXEUQWHHJJI-YMSVYLFOSA-N 458.943 -0.013 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCc3sccc3C1)C2)c1cccc(B(O)O)c1 1795737191 BTJSNVKSLYUMJE-OPMZPASUSA-N 469.372 -0.311 50 20 JBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1ON=C(c2ccccc2)O1 1797643219 OANIRFHSPNKVDF-BXYJTDFISA-N 459.503 -0.316 50 20 JBGD CC[C@H](NC(N)=O)C(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1808228410 CZHKRUPYXVIFBC-YTQUADARSA-N 453.308 -0.472 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1CCN(C(=O)[C@H]2CCC(=O)N2)[C@@H]1c1cccnc1 1810299134 NPNYANORMGZTTD-POZUXBRTSA-N 451.487 -0.322 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H](CNC(=O)[C@H]2CCNC(=O)C2)[C@@H]1c1cccnc1 1813134493 CPHSZJWZFJBRJE-NBQZKYEYSA-N 465.514 -0.074 50 20 JBGD COC[C@H](NC(C)=O)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCC(=O)NN(C)C)[nH]n1 1819613938 PNRQCTRTGJQELE-JKSUJKDBSA-N 451.528 -0.074 50 20 JBGD O=C(CSc1nc[nH]n1)Nc1nc2c(s1)C[C@@H](NC(=O)c1cccc(B(O)O)c1)CC2 1826667481 QQAOVCRWDYOTKF-LBPRGKRZSA-N 458.334 -0.041 50 20 JBGD COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)cc1O 1830245025 IQVNOBQRQJPLTB-XMMPIXPASA-N 484.314 -0.607 50 20 JBGD COC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](O)CCl)CCO2)C1 1830728861 YSDIZTLUSKGMGM-QEEYODRMSA-N 479.958 -0.418 50 20 JBGD C[C@H](CS(C)(=O)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1831465368 ZLQAXQXFFCXSDM-XUJVJEKNSA-N 459.334 -0.186 50 20 JBGD Cc1cccnc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1831834268 VFXFLUXVTWPBSW-JOCHJYFZSA-N 454.487 -0.228 50 20 JBGD CC[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CC(=O)NC3=O)CCO2)C1 1832482253 KWKRWAYKBCYLRC-SJCJKPOMSA-N 461.313 -0.832 50 20 JBGD O=C(CCNC(=O)c1ccc[nH]1)NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1833798990 IJVZEHRXJVUXNY-UHFFFAOYSA-N 495.389 -0.300 50 20 JBGD CC(=O)c1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C(C)=N/NC(=O)c4ccc[nH]4)C3)C2)n[nH]1 1833822961 QMBJYNHLMOHJCY-YQNSVDCASA-N 485.501 -0.184 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)c3ccc(O)cn3)CC2)CC1)c1cccc(B(O)O)c1 1834800914 ANSVXKUJZVKXAK-UHFFFAOYSA-N 452.320 -0.034 50 20 JBGD O=C(COCc1ccccc1)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1835367044 GFZPPYLWDAVPBQ-DEOSSOPVSA-N 468.315 -0.347 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)c3ccc(Cl)nc3F)C2)C1 1835927547 SNYDCAVOSGETNB-NRFANRHFSA-N 477.685 -0.062 50 20 JBGD Cc1c(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)ccc2c1OCCO2 1835928633 TUPASWPLJIUETR-VWLOTQADSA-N 496.325 -0.170 50 20 JBGD O=C(c1ccc2c(c1)OCCO2)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835936929 KGHQYBNKRNSXBA-XMMPIXPASA-N 482.298 -0.479 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4c(F)cccc34)C2)C1 1835937181 RIPYXDWNGMWBQZ-HSZRJFAPSA-N 482.277 -0.234 50 20 JBGD O=C1NCCCn2nc(C(=O)N3CCO[C@]4(COCCN(C(=O)[C@H](F)Br)C4)C3)cc21 1836781608 UKMJCVBSQOXTKH-KBXCAEBGSA-N 488.314 -0.223 50 20 JBGD Cc1cccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)n1 1837456881 ROPCLQKKVWKMEI-HSZRJFAPSA-N 468.514 -0.299 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCC(OC2CCN(C(=O)c3ccnnc3O)CC2)CC1 1837921270 SPFKGZAXNMLHKO-UHFFFAOYSA-N 454.292 -0.212 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)c1cc(-c3ccccn3)[nH]n1)CCO2 1838050539 PNDBREJJSCHKFL-DEOSSOPVSA-N 491.313 -0.465 50 20 JBGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4c3CS(=O)(=O)C4)C2)C1 1840032339 VQFWZTLRIMKFJA-GTNSWQLSSA-N 491.364 -0.309 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3[nH]nc4ccncc34)C2)C1 1840184097 RLFLZKRQALWIQE-NRFANRHFSA-N 459.507 -0.599 50 20 JBGD C[C@@H](C(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1)N1C(=O)NC2(CCCC2)C1=O 728341842 JGTWHGWGTXLXRH-SWLSCSKDSA-N 460.443 -0.230 50 20 JBGD CSCC[C@H](NS(=O)(=O)c1ccccc1F)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 728372591 OZBGWAOSFGNOAP-AAEUAGOBSA-N 467.566 -0.192 50 20 JBGD O=C(COC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)NNC(=O)[C@H]1COc2ccccc2O1 821692605 LFCFAISOBFMLKC-OAHLLOKOSA-N 474.451 -0.744 50 20 JBGD CC(=O)c1cccc(S(=O)(=O)NCC(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)c1 913500032 DGOXXKKHRMITET-UHFFFAOYSA-N 496.567 -0.056 50 20 JBGD C[C@H](C(=O)N1CCO[C@@]2(CCN(C(=O)CN(C)NC(=O)NCc3ccccc3)C2)C1)n1cnnn1 1780968262 AAGZLMPDUTUACI-VGOFRKELSA-N 485.549 -0.590 50 20 JBGD COC(=O)[C@H]1CC[C@@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)C1 1784082048 QQTMYXIWFIBZLD-GVJFSJSTSA-N 458.320 -0.451 50 20 JBGD CN(CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(=O)N(C)C)[C@H]2C1)NC(=O)NCc1ccccc1 1786743440 KRWXEPWJRLLROW-FHWLQOOXSA-N 474.562 -0.600 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1ccc2nonc2c1 1787879638 UDUGPYLPBIXTRD-KNBMTAEXSA-N 450.260 -0.190 50 20 JBGD CCc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cnccc4C(=O)NN)C[C@@H]32)nn1C 1789067288 KYMXNDQKODWCRR-IXDGSTSKSA-N 455.519 -0.112 50 20 JBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(N3CCOCC3)n1)C2 1797750975 XSWBEJUCEYCBIC-VPTLXERWSA-N 495.540 -0.566 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1cc([N+](=O)[O-])cc2c1OCC2 1798519654 JXHWQDZKWFJECT-CWPLJXCYSA-N 481.270 -0.274 50 20 JBGD COC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN(C)NC(=O)NCc1ccccc1 1799094807 LPTJOFVVJVGENP-OPMZPASUSA-N 475.546 -0.125 50 20 JBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCN1C(=O)OC(C)(C)C)C2 1801010786 VQTWOPOSEWDHSF-YYAJDYIMSA-N 467.567 -0.042 50 20 JBGD O=C(COc1ccc(O)nn1)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1812351185 QNHRHWSYKOUTHX-HTAPYJJXSA-N 477.286 -0.344 50 20 JBGD O=C1CC(C(=O)N2CCN(C(=O)OCc3ccccc3)[C@@]3(CCN(C(=O)[C@@H](O)CCl)C3)C2)=NN1 1829121632 WBXYNYOQMXSDLG-HTAPYJJXSA-N 491.932 -0.086 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)CCc3cncnc3)CC2)CC1)c1ccc(B(O)O)cc1 1834798023 WADLHVZYPKEJPJ-UHFFFAOYSA-N 465.363 -0.026 50 20 JBGD Cc1cnn(CC(=O)NC2CCN(C3CCN(C(=O)c4ccc(B(O)O)cc4)CC3)CC2)c1 1834892735 CJINFNJQDVDLSR-UHFFFAOYSA-N 453.352 -0.243 50 20 JBGD COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)cc1 1835067070 NRPVJFZOQVPIKD-XMMPIXPASA-N 468.315 -0.312 50 20 JBGD Cc1cccnc1CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835927006 BFDVOWXLUIGCLF-XMMPIXPASA-N 467.331 -0.227 50 20 JBGD C[C@@H](NNc1ccccc1)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835934405 YYFSBNNVAGSUFY-HOYKHHGWSA-N 482.346 -0.558 50 20 JBGD CC(C)c1nc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)no1 1835935031 CKKDLECFEQEWMU-JOCHJYFZSA-N 472.307 -0.815 50 20 JBGD CN(C)c1cncc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)c1 1835935206 HGIRXMAZTUNWIM-QHCPKHFHSA-N 468.319 -0.789 50 20 JBGD CS(=O)(=O)CC(=O)N1CCC(OC2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1837768379 SJVJERZHVQUUFQ-UHFFFAOYSA-N 452.338 -0.977 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1cncc3cnccc13)CCO2 1838462507 XSSSVICDDPMFRW-XMMPIXPASA-N 476.298 -0.307 50 20 JBGD COc1ccnc(C(=O)N2CCOC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)c1OC 1840185607 PYLKEDKITAYYEA-QFIPXVFZSA-N 479.534 -0.458 50 20 JBGD Cc1cc(C)n(CCC(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)n1 1840346400 TXXKEHIJMAVEFZ-HSZRJFAPSA-N 470.335 -0.660 50 20 JBGD Cn1c(=O)c2c(ncn2CC(=O)N2CCCC23CN(C(=O)[C@H](F)Br)C3)n(C)c1=O 1841985037 OMLUJZLXZYVGNR-LBPRGKRZSA-N 471.287 -0.672 50 20 JBGD O=C(NC[C@H]1CN2CCC[C@H]2CO1)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 729619695 RVPAVRKSAUKPGS-IRXDYDNUSA-N 467.548 -0.485 50 20 JBGD CC(=O)c1ccc(S(=O)(=O)NCC(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1 781236993 ZIRPOFGQENMXGF-SFHVURJKSA-N 491.478 -0.302 50 20 JBGD CN(CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cccc(=O)n1O)CCO2)NC(=O)NCc1ccccc1 1780968924 KPRGTJGFDZJMMI-XMMPIXPASA-N 498.540 -0.125 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786980001 YABWVWBSONKBHU-UGIPHMICSA-N 481.318 -0.906 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1ccc(O)nn1)C2 1796443709 CRCIMINRHTXVLM-TWUMKHSUSA-N 469.502 -0.162 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1ON=C(c2ccccc2)O1 1797643230 JQEWBJVHWKJHBM-UVJWIIJLSA-N 480.481 -0.377 50 20 JBGD C[C@H](C(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1)[C@H]1SC(=N)NC1=O 1807362608 MJVRKWZDGXHJNE-KRDRHDLTSA-N 495.370 -0.117 50 20 JBGD O=C(O)c1cnncc1C(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1810795975 BXEYQUNXCDCVAQ-JXFKEZNVSA-N 475.270 -0.117 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1813071371 ORWBHECZKBPTEN-PGRDOPGGSA-N 467.335 -0.546 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)c2cnc(O)nc2O)[C@@H]1c1cccnc1 1813071537 UEHOSXSJULUDAV-RDTXWAMCSA-N 457.491 -0.025 50 20 JBGD CCS(=O)(=O)N[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 1824460719 UGRXQVNKBAVIQP-OXJNMPFZSA-N 479.408 -0.073 50 20 JBGD CCS(=O)(=O)N[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827048850 AKWZXLGMPZCMRU-OXJNMPFZSA-N 479.408 -0.073 50 20 JBGD CN[C@H](CC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cnccc2C(=O)NN)CC1)C(=O)O 1828926530 MUSVLPVWVUXCRT-QZTJIDSGSA-N 460.535 -0.019 50 20 JBGD COC[C@@H](NC(C)=O)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 1829114277 RINDEQBASYAAHF-NHCUHLMSSA-N 459.352 -0.249 50 20 JBGD C[C@@H](Nc1ccccc1)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835938199 PUUWCQCCSWHINH-HOYKHHGWSA-N 467.331 -0.063 50 20 JBGD CC(C)c1nc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)no1 1837456366 GZUVXRUTWQYNFK-JOCHJYFZSA-N 487.517 -0.496 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4ncccc4[nH]3)C2)C1 1837460092 UDMVSALGYQXVQO-QHCPKHFHSA-N 479.497 -0.055 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)c1[nH]cnc1-c1cccnc1)CCO2 1838495711 AKMJRYGXBKWQRP-XMMPIXPASA-N 491.313 -0.465 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)c1onc3ccccc13)CCO2 1839545136 OTDJXZLFESVRAN-QHCPKHFHSA-N 465.271 -0.109 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1Cc3ccccc3N1)CCO2 1839736084 UJNBHLFNCCCLDZ-RDPSFJRHSA-N 480.525 -0.208 50 20 JBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)[C@H]3SC(=N)NC3=O)C2)C1 1840152459 JAZLCKVLIFZUPF-JWXAPSBJSA-N 462.956 -0.501 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)N3CCCC3)C2)C1 1840182280 DAFOANZNIYYDKD-JOCHJYFZSA-N 467.567 -0.782 50 20 JBGD C[C@@H](Nc1ccccn1)C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840184911 CBCPGAWEUJJLSH-VGSWGCGISA-N 462.551 -0.289 50 20 JBGD C[C@H](Oc1cccnc1)C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840185986 VJYRQSKFRMRCQO-JTSKRJEESA-N 463.535 -0.322 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(CN(C(=O)CN(C)C(C)C)CCO2)C1 1840565583 PTPYOOWVZFAGOM-ZRZWOPFXSA-N 462.551 -0.083 50 20 JBGD Cc1cn(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)CBr)C3)C2)c(=O)nc1O 1840805958 KTFVAJFYQCDCES-BFUOFWGJSA-N 487.351 -0.255 50 20 JBGD Cn1nc(C(=O)NNC(=O)CNS(=O)(=O)c2c[nH]c3ncccc23)c2ccccc2c1=O 918757871 MMFHHZRDONEMEZ-UHFFFAOYSA-N 455.456 -0.451 50 20 JBGD O=C(NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)C1=CC=CN2CCS(=O)(=O)N=C12 921232435 GHASUOUKIFUDPT-UHFFFAOYSA-N 479.540 -0.270 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](N)Cc2cscn2)C1 1777968559 ILUBZFQVQDMJOI-NJNPRVFISA-N 487.586 -0.161 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc4c(c3)CC(=O)N4)C2)C1 1778394036 OHVUQHQJVPSFES-QHCPKHFHSA-N 464.482 -0.063 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3ON=C(c4ccccc4)O3)C2)C1 1778874685 MUGZZMUUVWERRR-VXKWHMMOSA-N 459.503 -0.076 50 20 JBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2)c1ccc2ncnn2c1 1779168460 PIDNBXZKEKYUPR-AUSIDOKSSA-N 463.303 -0.150 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](C)Cn3cncn3)C2)C1 1779215256 BJLVEMNVCRGDOV-NYMXGBHBSA-N 456.507 -0.122 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)[C@@H]3CC[C@H]4CCC(=O)N4C3)C2)C1 1781054791 PXVCUIPDDBXINR-FHJLPGHOSA-N 455.320 -0.789 50 20 JBGD CCOC(=O)c1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)ccn1 1798684469 DLRBBFOCGKCARE-XEMDLRDOSA-N 467.287 -0.545 50 20 JBGD CN(CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cnccn1)C2)NC(=O)NCc1ccccc1 1799095458 YHJTZFVEXWFICJ-BBIADKPPSA-N 481.557 -0.045 50 20 JBGD CC(=O)N/C(=C\c1ccco1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1799685770 JAWBDOUKUWLSSJ-UTPKTXBFSA-N 467.287 -0.660 50 20 JBGD O=C(O)CSCC(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807373318 BHRHSMRLOROZQT-UZLBHIALSA-N 457.317 -0.101 50 20 JBGD COc1ncc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)cc1F 1833487101 BPHUMFDZVOPYIM-NRFANRHFSA-N 467.498 -0.328 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCC(N2CCC(NC(=O)c3cnc(O)nc3O)CC2)CC1 1835071628 ZJDGHVFRLSCGIL-UHFFFAOYSA-N 463.539 -0.554 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CC(c4ccccc4)=NN3)C2)C1 1835938999 AHEBPOFOUMNCSJ-WIOPSUGQSA-N 492.341 -0.797 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnn3cccnc13)CCO2 1836850773 AKWXEUJEZBKFOU-OAQYLSRUSA-N 459.507 -0.828 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCC(OC2CCN(C(=O)[C@@H]3CNC(=O)O3)CC2)CC1 1836902252 YVETUVAXMOPGMG-KRWDZBQOSA-N 460.491 -0.594 50 20 JBGD CC(C)(C)OC(=O)N[C@]1(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)CCOC1 1839191285 CLIBXUIZDMHRGB-GQWLDOHISA-N 491.969 -0.274 50 20 JBGD C[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)CCO2)C1 1839718904 UPUJOASYQVLORP-ACJLOTCBSA-N 487.307 -0.004 50 20 JBGD COC(=O)c1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)cn1 1840184066 PRXOLAZMSTXOFH-JOCHJYFZSA-N 477.518 -0.689 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn4cccnc4n3)C2)C1 1840184587 WEEVMHKIPBPLOR-NRFANRHFSA-N 459.507 -0.828 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCCn1ccnc1)CCO2 1840385696 RNLLEMDVSSALCF-OAQYLSRUSA-N 450.540 -0.507 50 20 JBGD Cn1ncc2c(=O)n(CC(=O)NNC(=O)c3cccc(S(=O)(=O)N4CCCCC4)c3)cnc21 22006787 VCCORDUTQUODPR-UHFFFAOYSA-N 473.515 -0.234 50 20 JBGD C[C@@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1ccc(OCCCC(=O)O)c(Cl)c1 728509541 HQRSBHWPOALQMZ-SECBINFHSA-N 457.914 -0.169 50 20 JBGD COc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O 825369930 LCQXQMGCRLWLPB-UHFFFAOYSA-N 478.849 -0.900 50 20 JBGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)NCCCN1CCOCC1 915880464 BVDBRMRENCXSHE-UHFFFAOYSA-N 483.591 -0.307 50 20 JBGD COc1cc2c(cc1OC)[C@@H](CC(=O)NNC(=O)N[C@@H](C)C(=O)N(C)C)N(S(C)(=O)=O)CC2 916577511 GXPHNVQHEJKXPQ-SWLSCSKDSA-N 485.563 -0.240 50 20 JBGD COC(=O)c1ccc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)s1 1780896933 WQZUMHDLGMVALS-JOCHJYFZSA-N 472.328 -0.099 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786983622 YKQNTXXCBJEGSD-UGIPHMICSA-N 481.318 -0.906 50 20 JBGD CC(C)n1nc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)cc1C(=O)O 1795732396 ALBPDINSZKDGPK-CCWDJLKJSA-N 470.291 -0.641 50 20 JBGD CN(C)NC(=O)CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cc1cn3c(nc1=O)SCC3)C2 1802336170 FLSSLLRLCVJLKG-MUJYYYPQSA-N 462.576 -0.097 50 20 JBGD CN1C(=O)CC[C@H]1C(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807373101 NAHZUDQZZSOFRC-HFSMHLIXSA-N 450.304 -0.298 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1810304178 AMSJYFVOPYUNNU-KKSFZXQISA-N 482.545 -0.227 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)CN2CC(=O)NC2=O)[C@@H]1c1cccnc1 1813071034 OBPCGFUZNPYKCT-MGPUTAFESA-N 459.507 -0.988 50 20 JBGD O=C(CSc1nc[nH]n1)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1813345429 LXASZKURIDYDSE-QFBILLFUSA-N 466.332 -0.009 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)CN(CCO)CCO)n[nH]1 1822028483 LBZUEZZXNNZBQM-MRXNPFEDSA-N 453.544 -0.939 50 20 JBGD CN(C)NC(=O)CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(=O)n3[nH]cnc3n2)[nH]n1 1822414312 ROUVQGVWDYCRBJ-AWEZNQCLSA-N 470.494 -0.180 50 20 JBGD CN(CC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1CC(O)C1)CCO2)NC(=O)NCc1ccccc1 1830586638 WASPNXKRLNWZOZ-IMQCZEGASA-N 489.573 -0.440 50 20 JBGD Cn1c(=O)c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)nc2ccccc21 1830727877 IWFVWOROVDCTCE-KKSFZXQISA-N 464.906 -0.397 50 20 JBGD CC[C@H](Br)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)NS(=O)(=O)CC)CCO2 1831330711 VFWQKWPUJFSKEB-JKIFEVAISA-N 484.413 -0.056 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1)[C@@H](O)c1ccco1 1833090201 IUCZABNLPXMKKS-NRFANRHFSA-N 455.320 -0.122 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)c1n[nH]c(C3CC3)c1F)CCO2 1833679555 YWWWCPPXGOJNMZ-JOCHJYFZSA-N 472.282 -0.510 50 20 JBGD CN1N=C(C(=O)NC2CCN(C3CCN(C(=O)c4cccc(B(O)O)c4)CC3)CC2)CCC1=O 1833689012 RQSHRCGXZFIUED-UHFFFAOYSA-N 469.351 -0.840 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)c3cc(=O)cco3)CC2)CC1)c1cccc(B(O)O)c1 1834801065 MMDYFNGVSBFYIL-UHFFFAOYSA-N 453.304 -0.181 50 20 JBGD Cc1c(F)ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)c1N 1835868801 OEMLFQLQSSGITN-HSZRJFAPSA-N 471.294 -0.220 50 20 JBGD C[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3nccnc3C(N)=O)CCO2)C1 1838330910 NHSVHCZJDNTRPM-GTNSWQLSSA-N 456.297 -0.571 50 20 JBGD CN(CC(=O)N1CC2(CCCN2C(=O)CCc2nc(N)n[nH]2)C1)NC(=O)NCc1ccccc1 1844183904 AAIPGBBYZGHELO-UHFFFAOYSA-N 469.550 -0.131 50 20 JBGD Cc1[nH]c2ccnn2c(=O)c1CC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 729534597 SVCVCYHRGDIUDG-UHFFFAOYSA-N 459.532 -0.047 50 20 JBGD O=C(NNC(=O)c1ccc(-n2ccnc2)nn1)c1cccc(S(=O)(=O)N2CCOCC2)c1 750662140 AIZJNWCXIHYPDP-UHFFFAOYSA-N 457.472 -0.242 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)nc(O)n1)C2 1782211819 AIXLASUMYVHFBI-JLTOFOAXSA-N 450.496 -0.612 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(CN(C(=O)CCN3C(=O)Cc4ccccc4C3=O)CCO2)C1 1783932964 NETUMMAYGSNGMJ-VWLOTQADSA-N 499.568 -0.196 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc(=O)nc3sccn13)CCO2 1783934869 ITYRJGORAJYLSC-FQEVSTJZSA-N 462.532 -0.428 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H]1CC(c3ccccc3)=NN1)CCO2 1783936354 GPFSSUWQIFIASH-AUSIDOKSSA-N 456.547 -0.045 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3cn4c(nc3=O)SCC4)C[C@@H]21)[C@H](O)CCl 1784092695 MHHXMXUCLXYRLQ-MHEUCROKSA-N 456.952 -0.529 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3ON=C(c4ccccc4)O3)C[C@@H]21)c1cccc(B(O)O)c1 1786984276 XRKUKKNNQFKCEB-CDSYHYPYSA-N 479.298 -0.306 50 20 JBGD COc1ccc([C@@H](O)C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)cc1 1795732867 PSVHTGFDZXAKOR-HRQSHJORSA-N 454.288 -0.688 50 20 JBGD CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1800736742 NFWLYUAKHBBQTJ-WTOCRXRJSA-N 499.373 -0.318 50 20 JBGD O=C(NC[C@@H]1CCN(C(=O)CN2CCOCC2)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807365980 XFDWHXMJSOHKCP-SIKLNZKXSA-N 452.320 -0.587 50 20 JBGD O=C(Cn1cnnn1)N1CC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCN2C(=O)OCc1ccccc1 1828551307 MJBCLYOFYDZMPW-UTKZUKDTSA-N 491.936 -0.275 50 20 JBGD O=C1CN(c2cccc(C(=O)N3CCO[C@]4(COCCN(C(=O)[C@@H](O)CCl)C4)C3)n2)CCCN1 1833724014 CNGVCZOZZHETJU-HTAPYJJXSA-N 495.964 -0.922 50 20 JBGD CCNC(=S)NCC(=O)N1CCC(N2CCC(NC(=O)c3cnccc3C(=O)NN)CC2)CC1 1835738253 PGSZERJKDWNQLW-UHFFFAOYSA-N 490.634 -0.646 50 20 JBGD NC[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1)c1ccccc1 1835811630 JSXHNWUHMIIQFU-XUZZJYLKSA-N 467.331 -0.821 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CC(c4ccccc4)=NO3)C2)C1 1835927305 NGNTYPWRJBJAFD-DHLKQENFSA-N 493.325 -0.370 50 20 JBGD O=C(c1ccc2ccnn2c1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835931813 DDDARIILURUIKV-QHCPKHFHSA-N 464.287 -0.602 50 20 JBGD O=C1Cc2cccc(C(=O)N3CCOC[C@]4(CN(C(=O)c5ccc(B(O)O)cc5)CCO4)C3)c2N1 1835932073 MOGNVSYWAMIRNH-DEOSSOPVSA-N 479.298 -0.755 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C(F)F)no3)CCO2)C1 1836245725 FGDXFWNVLOTZAJ-FQEVSTJZSA-N 480.428 -0.006 50 20 JBGD C[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1)n1cccc1C=O 1837457597 KUOWKGIOZXYHQL-HJPURHCSSA-N 484.513 -0.370 50 20 JBGD C[C@H](NC(=O)c1cnccn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1 1837608653 HKIWSIKJWSAXBW-HRAATJIYSA-N 479.610 -0.097 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(=O)nc3sccn13)CCO2 1838417125 FSQTXHHHYPXNNX-NRFANRHFSA-N 492.558 -0.801 50 20 JBGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@](C)(O)CC(=O)O)C2)C1 1840036771 QZFCYTHRUZQMAH-AFAVFJNCSA-N 451.314 -0.158 50 20 JBGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)NC(=O)c3ccccn3)C2)C1 1840155776 HXAXQAIDQIOKQS-MRUHUIDDSA-N 468.938 -0.090 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)Cc3ccccc3)C2)C1 1840185057 KSTXIKXWBBFDPI-AUSIDOKSSA-N 462.547 -0.581 50 20 JBGD CC(=O)Nc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)cc1O 1840185175 MLUPOMFDHHVJCE-HSZRJFAPSA-N 491.545 -0.206 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCCC12CN(C(=O)[C@@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C)C2 1846386051 YALKEGFIXVYLNH-CVEARBPZSA-N 467.567 -0.067 50 20 JBGD O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 915188165 FIENWPYRNRLWFH-IEBWSBKVSA-N 477.587 -0.618 50 20 JBGD O=C(CCC(=O)N1CCOCC1)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 920213754 OHYQRLWYTVQFII-UHFFFAOYSA-N 482.559 -0.574 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1n[nH]c3c1CS(=O)(=O)C3)C2 1782212015 OJUPGOFRBRPORJ-IIBYNOLFSA-N 496.590 -0.661 50 20 JBGD CC(=O)c1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cnccc4C(=O)NN)C[C@@H]32)n[nH]1 1785840702 KRRXDLLAGWVTTE-QITLCBANSA-N 455.475 -0.482 50 20 JBGD COC(=O)C12CC(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)c5cnccc5C(=O)NN)C[C@@H]43)(C1)C2 1791016756 AGNBLPPMTCJJGC-QZHBBCCASA-N 471.514 -0.378 50 20 JBGD COC(=O)[C@@H]1CC[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)C1 1792966079 AKUGXJDKRJQAIE-ZURLZEQWSA-N 459.503 -0.522 50 20 JBGD Cn1ccc2c(O)ncc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)c3cccc(B(O)O)c3)c21 1795740245 JHPVGCIWTUNEMY-CCWDJLKJSA-N 464.287 -0.524 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)n1)C2 1796440475 NDNOHNRDXVGWQB-TWMUSIFYSA-N 457.447 -0.775 50 20 JBGD C[C@@](Cl)(CCl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCS(=O)(=O)CC1)C2 1799274315 WXQVGSOMGCPYOZ-IARIHHJXSA-N 456.392 -0.457 50 20 JBGD CC(C)(C)OC(=O)N1[C@H]2C[C@@H](C[C@@H]2O)[C@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2 1800787420 XFUHBPVIPYJFGU-CBSPKOPJSA-N 487.981 -0.066 50 20 JBGD O=C(NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1)c1cc(O)nc(O)n1 1808298232 XMVDFWLPCKJLKP-BEFAXECRSA-N 463.259 -0.404 50 20 JBGD CCOC(=O)c1ncn2c1CC[C@H](C(=O)N1CCOC[C@]3(C1)CN(C(=O)[C@@H](O)CCl)CCO3)C2 1830736719 WBWURNPLYNQKCA-YHEJKZAPSA-N 498.964 -0.322 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)CS(C)(=O)=O)C2)C1 1832549213 HMJPCLSJFBZUCE-LIRRHRJNSA-N 497.998 -0.381 50 20 JBGD Cc1cccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)n1 1832611346 BTVODJZFHLHOGY-XMMPIXPASA-N 467.331 -0.227 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCC(N2CCC(NC(=O)CN3CCSCC3)CC2)CC1 1833063112 SGYGVQFRABHWEE-UHFFFAOYSA-N 468.668 -0.020 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc[n+]([O-])c1)CCO2 1833273390 JDIVQRWXXIDIBO-OLCUMFGGSA-N 470.486 -0.476 50 20 JBGD NC(=O)c1nccnc1C(=O)N1CCOC[C@]2(CN(C(=O)CCBr)CCO2)C1 1834823019 DROKGMIZYPAVEI-KRWDZBQOSA-N 456.297 -0.570 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCC(N2CCC(NC(=O)c3nc4ncccn4n3)CC2)CC1 1835351397 JPYAHZOHGSDHLA-UHFFFAOYSA-N 492.544 -0.378 50 20 JBGD CN1CCN(C2(C(=O)NC3CCN(C4CCN(C(=O)CCC(=O)NN(C)C)CC4)CC3)CC2)CC1 1836376381 UWLFMXAYJNYPSA-UHFFFAOYSA-N 491.681 -0.289 50 20 JBGD O=C1Nc2ccccc2/C1=C/C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1837322548 GSLXJGBUGBOBBX-RFAVJAEMSA-N 491.309 -0.528 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)c1cc(Cl)c3nncn3c1)CCO2 1837370229 JUDURTPFYHSBPV-QFIPXVFZSA-N 499.720 -0.554 50 20 JBGD COC(=O)Nc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)c1 1839245106 XRLZEKIHGANMDD-XMMPIXPASA-N 497.313 -0.072 50 20 JBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(S(C)(=O)=O)cn3)C2)C1 1840150533 NKCRZUZRWZNGHN-HNAYVOBHSA-N 475.951 -0.191 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(-c4cccnc4)[nH]n3)C2)C1 1840184915 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O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN1C(=O)Cc3ccccc3C1=O)C2)[C@H](O)CCl 1792974986 HNDZFJUOPRPJQL-DOHHPOSVSA-N 463.918 -0.209 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1ccnn1)C2 1793880887 JSLLKDAAGPILDQ-FQLMCAECSA-N 456.931 0.000 50 20 JBGD CS(=O)(=O)Cc1ncccc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(B(O)O)cc1)C2 1794721352 BAWNGFGKLXTEDV-BCDXTJNWSA-N 471.344 -0.128 50 20 JBGD CN(CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCOC1=O)C2)NC(=O)NCc1ccccc1 1799095442 WLLXRPFFPAVKHE-RMFSNUHRSA-N 488.545 -0.626 50 20 JBGD CCS(=O)(=O)N[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1803510269 VUBSXMGEMOBULJ-MOXGXCLJSA-N 488.375 -0.591 50 20 JBGD O=C(NC[C@@H]1CCN(C(=O)c2cc(=O)n3[nH]cnc3n2)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807370377 CDEWRSKLCYZANP-JXFKEZNVSA-N 487.285 -0.874 50 20 JBGD CC(=O)OC[C@H](OC(C)=O)C(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1810336252 IGTZPMYJWCLHKN-BVSLBCMMSA-N 497.313 -0.424 50 20 JBGD C[C@@H](C(=O)N[C@@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1)N1CCN(C)CC1 1815360174 PWVALNKVGBEPMO-WMLDXEAASA-N 471.392 -0.315 50 20 JBGD CCOC(=O)N[C@H](O)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CCC(=O)NN(C)C)CC2 1819473027 NIARVBZIHWPHEP-QLJPJBMISA-N 456.525 -0.507 50 20 JBGD COc1cccnc1CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1832864937 ZHEXQRGXOQMSBH-DEOSSOPVSA-N 498.540 -0.209 50 20 JBGD O=C(CCBr)N1CCO[C@]2(COCCN(C(=O)c3cc(=O)nc4cccnn34)C2)C1 1834823696 DJZMYWMBBVRVQN-LJQANCHMSA-N 480.319 -0.056 50 20 JBGD CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1835677996 UAXAWCSZEXBRJY-JOCHJYFZSA-N 473.534 -0.963 50 20 JBGD CC(C)c1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)no1 1835929538 UYHJNKDIVYQTPO-JOCHJYFZSA-N 457.292 -0.138 50 20 JBGD CC(=O)O[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1)C(C)C 1835930556 NBEBILYKMRJSKK-DENIHFKCSA-N 462.308 -0.976 50 20 JBGD CC(=O)O[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1)C(C)C 1837217231 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CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cccc(N3CCOCC3)n1)CCO2 1783934177 BQBXBQASOPVPDP-HSZRJFAPSA-N 474.562 -0.265 50 20 JBGD C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1785574739 QMDMPJXIQSVKMS-CYFREDJKSA-N 485.346 -0.274 50 20 JBGD COc1cc(F)ccc1CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795737020 SXKORSYJBUDANR-FAQVEIGNSA-N 456.279 -0.040 50 20 JBGD CC(=O)Nc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)cc1 1797231512 PTYXZSURTJTINC-BBIADKPPSA-N 465.315 -0.229 50 20 JBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc([N+](=O)[O-])c2c1OCO2 1798627903 ZZGICSONPCIQMN-IVWMJMPLSA-N 477.474 -0.100 50 20 JBGD COC(=O)[C@H]1CCC[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)C1 1801012433 YLRQOJFTAZJHQH-ZTTBQOKTSA-N 452.552 -0.072 50 20 JBGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)[C@H]2CCCS2(=O)=O)[nH]n1)c1ccc(B(O)O)cc1 1817475983 YMFOKYXUJMJTOY-DLBZAZTESA-N 460.321 -0.027 50 20 JBGD C[C@@H](Oc1ccccn1)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835939971 QZRUXGQUOIXTMB-UZUQRXQVSA-N 469.303 -0.701 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(Cl)c3nncn3c1)CCO2 1837370228 JUDURTPFYHSBPV-JOCHJYFZSA-N 499.720 -0.554 50 20 JBGD CC1CCN(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)CC1 1837456086 IGHNJQIRWKMFJC-QHCPKHFHSA-N 474.562 -0.513 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccn(C(F)F)c1=O)CCO2 1837772123 MDGZGSHUCGFNPZ-OAQYLSRUSA-N 485.488 -0.314 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(=O)ccn1C)CCO2 1838531958 QHFNCKZOQDXJBK-DZQSVEARSA-N 484.513 -0.411 50 20 JBGD CN(CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnnc3)C2)C1)NC(=O)NCc1ccccc1 1839054344 VDXRXYGCAMVVQL-DEOSSOPVSA-N 497.556 -0.107 50 20 JBGD CCN(CC)C[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1839679987 VABOJZCSTJYQNT-AVRDEDQJSA-N 455.600 -0.206 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cncc(O)c1)CCO2 1840061796 WBKZUSYBKKHZCK-IBUSPFOHSA-N 470.486 -0.009 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4c3CCCC4)C2)C1 1840183983 MNGPNLIBQIKAKP-QFIPXVFZSA-N 462.551 -0.269 50 20 JBGD Cc1nc[nH]c1CSCC(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840184560 VJTCBHQSWMISMQ-OAQYLSRUSA-N 482.607 -0.219 50 20 JBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@@H]2CCCO2)c1 729275285 MYYSANSFYXWEOP-PWSUYJOCSA-N 482.968 -0.504 50 20 JBGD O=C(Cc1ccc(S(=O)(=O)N2CCOCC2)s1)NNC(=O)c1ccc(-n2cnnn2)cc1 913155440 NDEBTRPXIGLOJB-UHFFFAOYSA-N 477.528 -0.252 50 20 JBGD C[C@H](NC(=O)c1ccc(F)cc1)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1780906438 XVOBYSWMIORMOX-FYSMJZIKSA-N 483.305 -0.233 50 20 JBGD CC(C)(C)OC(=O)N1CC(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)C1 1786983485 VPGACZUFXFVXRF-VDGAXYAQSA-N 487.362 -0.173 50 20 JBGD CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](O)CCl)C1 1792983561 OVCRLLZEBDVXRR-NPJQDHAYSA-N 461.943 -0.188 50 20 JBGD CN(CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)n(C)n1)NC(=O)NCc1ccccc1 1794324302 KIOKGVMMIUAHRH-UPHUGPLXSA-N 485.545 -0.325 50 20 JBGD CC(C)(C)OC(=O)NC[C@H](O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1 1796189559 CMRPBQMFYSVXGX-MHORFTMASA-N 461.324 -0.496 50 20 JBGD COc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C(C)=N/NC(=O)c2ccc[nH]2)C3)nn1 1798370461 LFSUVFHXWZVDDQ-GBQKICQVSA-N 455.475 -0.178 50 20 JBGD CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(B(O)O)cc1)C2 1800178733 CJUSDSGFTMZVNK-FCGDIQPGSA-N 475.351 -0.106 50 20 JBGD CN(C)C(=O)NCC(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807360266 PVIJDCWICAYKRP-YLJYHZDGSA-N 453.308 -0.648 50 20 JBGD O=C(NC[C@H]1CCN(C(=O)CCN2CCOC2=O)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807363473 OTIDTJKCYVBJFX-NQIIRXRSSA-N 466.303 -0.077 50 20 JBGD COC(=O)CSCC(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807365994 REEZZODDZJZMKW-UTKZUKDTSA-N 471.344 -0.013 50 20 JBGD CC(=O)N1CCN(CC(=O)NC[C@@H]2CCN(C(=O)[C@@H](O)CCl)[C@@H]2c2cccnc2)CC1 1809665930 SRFWPGZWAABVHK-CMKODMSKSA-N 451.955 -0.149 50 20 JBGD O=C(/C=C\C(=O)NC1CC1)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1810124286 ICJCZDGHVYVQIN-AZKGVKDRSA-N 462.315 -0.084 50 20 JBGD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1nc[nH]c1[N+](=O)[O-])CC2)c1cccc(B(O)O)c1 1815354864 VQKOHEPSEAAKJE-NSHDSACASA-N 456.249 -0.006 50 20 JBGD O=C(CCN1C(=O)C=CC1=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827049988 CLGILWIWOOSCNV-FQEVSTJZSA-N 467.331 -0.085 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1)c1cc(=O)cco1 1834342550 UNZCOPQWBVZFBA-UHFFFAOYSA-N 453.304 -0.181 50 20 JBGD C[C@H](C(=O)NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1)N1C[C@H]2C[C@@H]2C1 1835669889 OFXHZRXATLUMCE-MISYRCLQSA-N 468.407 -0.108 50 20 JBGD Nc1c(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)sc2nccnc12 1835874148 RDRUIAMPYRUKRO-BBATYDOGSA-N 455.924 -0.057 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)c3cccn4nccc34)C2)C1 1835932302 YLJYXFOPTJDLFC-HSZRJFAPSA-N 464.287 -0.602 50 20 JBGD Cc1nn2cc(CC(=O)N3CCOC[C@@]4(C3)CN(C(=O)c3cccc(B(O)O)c3)CCO4)nc2s1 1835934209 QBAQINVBEDITLU-JOCHJYFZSA-N 499.358 -0.908 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(c3)OCCO4)C2)C1 1837459701 WVNFQXUWHUUJMY-DEOSSOPVSA-N 497.508 -0.160 50 20 JBGD C[C@H](Cn1ccnc1)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837461502 WCSSXCHEAFHGCM-OPAMFIHVSA-N 471.518 -0.712 50 20 JBGD C[Si](C)(C)OCC(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccc(O)nn3)C2)C1 1837715844 MJDUUMGLNQNMBL-LJQANCHMSA-N 454.556 -0.131 50 20 JBGD Cc1nc2ccc(F)cn2c1C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1839526252 IHJROJLWXMYKLX-DEOSSOPVSA-N 496.304 -0.155 50 20 JBGD C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840185467 QNPPGQXSBXASDR-ZHRRBRCNSA-N 485.582 -0.271 50 20 JBGD C[C@@H](O)C(=O)N1CC2(CCCN2C(=O)[C@H](Cc2ccc(B(O)O)cc2)NC(=O)OC(C)(C)C)C1 1843428557 AEQPDGNKINYGMM-QAPCUYQASA-N 475.351 -0.614 50 20 JBGD COc1ccc(S(=O)(=O)N2CCN(C(=O)NNC(=O)CNC(=O)c3ccco3)CC2)cc1 725872606 PERLYPKPUMVIRR-UHFFFAOYSA-N 465.488 -0.235 50 20 JBGD CCn1cnc2c1c(=O)n(CC(=O)NNC(=O)c1ccn(C)c(=O)c1)c(=O)n2Cc1ccccc1 913008912 YGTSZQMISJCPRZ-UHFFFAOYSA-N 477.481 -0.412 50 20 JBGD CNC(=O)c1cc(S(=O)(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cn1C 914688832 BZBMCSUKEFJDKJ-UHFFFAOYSA-N 469.545 -0.208 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@]2(CCN(C(=O)CCN3CCOC3=O)C2)C1 1778160045 DXQIGWZBLQMWCP-VQYZLWMVSA-N 460.491 -0.207 50 20 JBGD COC(=O)[C@@H]1CC=CC[C@H]1C(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779034980 YPMBHAPASQFWTL-QZMQVMSPSA-N 471.514 -0.116 50 20 JBGD CN(CC(=O)N1CCO[C@@]2(CCN(C(=O)c3ncon3)C2)C1)NC(=O)NCc1ccccc1 1779870287 JHACMXINZJEFTI-NRFANRHFSA-N 457.491 -0.141 50 20 JBGD C[C@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cnccc1C(=O)NN)C2)n1cncn1 1782528553 CLFSOAUKFCTOLR-SOIKWTOOSA-N 456.507 -0.335 50 20 JBGD CN(C)c1cncc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)c1 1785552183 BZBFSFAXLNPXQU-NDXORKPFSA-N 452.320 -0.266 50 20 JBGD CC(=O)N[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2)C(C)(C)C 1793196950 KUJJFZWFMHICKS-DACLVMHWSA-N 460.535 -0.561 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CC(=O)N(C2CCCC2)C1 1793777515 USUGVTZUFBYIPO-YUWJWYLASA-N 484.557 -0.321 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NNC(=O)C1)C2 1793880171 SFPYDGURRTUVCJ-WJNVRWDZSA-N 457.915 -0.416 50 20 JBGD C[C@H](CC(N)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN(C)NC(=O)NCc1ccccc1 1799094829 AQLXVLZYWNMJLR-LAVAIGHBSA-N 474.562 -0.566 50 20 JBGD CS(=O)(=O)CC(=O)N1CC[C@@H](CNC(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1810300148 XFGYCMYFBPBUBF-KBXCAEBGSA-N 460.516 -0.556 50 20 JBGD O=C(CSc1nc[nH]n1)N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815361505 HWLGQINAJYZUTM-LBPRGKRZSA-N 458.334 -0.041 50 20 JBGD COC[C@H](NC(C)=O)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1 1817472147 KWANNTMBGVUSAM-ZWKOTPCHSA-N 457.296 -0.454 50 20 JBGD NNC(=O)c1ccncc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2nccnc2C(N)=O)[nH]n1 1819403464 NTYOKXNEEGMGSJ-AWEZNQCLSA-N 478.473 -0.083 50 20 JBGD C[C@@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cnccc2C(=O)NN)n[nH]1)n1cnnn1 1819404338 HRGMTGFOSBYSAI-XHDPSFHLSA-N 453.467 -0.038 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(F)nc1F)CCO2 1829528348 LOBVKCLOWLBLOJ-OAQYLSRUSA-N 461.230 -0.577 50 20 JBGD C[C@H](NC(=O)c1ccccc1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830738723 SJFVVNPWAMXORT-WJPUGNRLSA-N 453.923 -0.139 50 20 JBGD COc1ccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)cn1 1832585067 BHONAUCFMBJORG-HSZRJFAPSA-N 477.562 -0.148 50 20 JBGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cncc(S(C)(=O)=O)c3)CCO2)C1 1833401819 ZVOKBMRFRNEBIA-LPHOPBHVSA-N 475.951 -0.191 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)[C@H](O)c3ccco3)CC2)CC1)c1ccc(B(O)O)cc1 1834798140 WFFNOTQXRFNQPI-OAQYLSRUSA-N 455.320 -0.122 50 20 JBGD C[C@@](Cl)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(=O)n4[nH]cnc4n3)CCO2)C1 1835924178 OTRKHKOQCUDRFM-QZTJIDSGSA-N 473.317 -0.276 50 20 JBGD O=C(Cc1cccc(Cl)n1)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835935268 LORRRBQKZIIUMM-QFIPXVFZSA-N 473.722 -0.273 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccc(O)cc3)C2)C1 1837457045 WEHHKEXJRKOWJM-QHCPKHFHSA-N 485.497 -0.460 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn4cccnc34)C2)C1 1837459645 VAHGACHMRHQIAP-JOCHJYFZSA-N 480.485 -0.888 50 20 JBGD COCCOCCOCCOCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1839220412 LZWUYGXMUYJPDK-NQIIRXRSSA-N 496.985 -0.871 50 20 JBGD C[C@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840182678 PQHMEVLVSSTHTN-KDOFPFPSSA-N 463.373 -0.153 50 20 JBGD C[C@@H](CNC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840182817 VMHGXRYREKAWAR-SBUREZEXSA-N 499.609 -0.023 50 20 JBGD CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843015335 DYWUVWCVUFJKKK-KRWDZBQOSA-N 489.334 -0.360 50 20 JBGD CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccccc1)C(=O)NNC(=O)[C@@H]1Cc2ccccc2O1 748280673 UKJSQMBTOJBZCP-WMZOPIPTSA-N 481.552 -0.081 50 20 JBGD Cc1cnc2c(C(=O)N3CC[C@@]4(CN(C(=O)c5cnccc5C(=O)NN)CCO4)C3)cnn2c1 1778523622 DDAKKFVFSTVILW-QFIPXVFZSA-N 464.486 -0.206 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(=O)n1O)C2 1779371277 ZJRVNIZRYNUILC-VGOFRKELSA-N 470.486 -0.475 50 20 JBGD Cn1ccc(=O)cc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnccc2C(=O)NN)C1 1779372722 ZTFQIZZWCCWZOS-AUSIDOKSSA-N 468.514 -0.175 50 20 JBGD CCNC(=S)NCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnccc2C(=O)NN)C1 1779374196 JWBPFJPUQIAQTH-IIBYNOLFSA-N 477.591 -0.703 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C(O)O)C2 1780054033 DBRBTVZEUPTILD-OXQOHEQNSA-N 451.432 -0.042 50 20 JBGD COc1cc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CCC(=O)NN(C)C)C2)nn1C 1782212381 ZEZVRJARNLLRNO-IIBYNOLFSA-N 450.540 -0.071 50 20 JBGD COC(=O)NCC(=O)N1CC[C@@]2(C1)CN(C(=O)CN(C)NC(=O)NCc1ccccc1)CCO2 1784259581 BGSUSICDPXDIFH-JOCHJYFZSA-N 476.534 -0.482 50 20 JBGD CC(C)(C)OC(=O)N[C@@]1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](O)CCl)CCOC1 1792978490 DKGBTGRFKUDQEJ-UPYQZRRNSA-N 461.943 -0.141 50 20 JBGD Cc1cn2c(=O)c(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)c3ccc(B(O)O)cc3)cnc2s1 1795734374 NWMKKMGGMNNBJG-JLVBRIDZSA-N 482.327 -0.739 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](N)Cc1cccnc1 1796397777 NTFDJSBSNLNBTF-DJRNXDKTSA-N 467.530 -0.325 50 20 JBGD C[C@H](CS(C)(=O)=O)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1803583578 ZGMAYBLETVMWAS-MOXGXCLJSA-N 473.360 -0.238 50 20 JBGD O=C(Cn1cc([N+](=O)[O-])cn1)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1804418443 GXYANTCSYMMFST-LAUBAEHRSA-N 478.274 -0.114 50 20 JBGD Cc1cn(CC(=O)N2CC[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)c(=O)nc1O 1807363550 ABJSWZSADXBFCS-RXVVDRJESA-N 491.313 -0.648 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1CCN(C(=O)[C@@H]2C[C@H](O)CN2)[C@H]1c1cccnc1 1810306310 WADMEBOQHPDVEI-LNMJFAINSA-N 453.503 -0.878 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)CC(F)(F)C(=O)O)CC2)CC1)c1ccc(B(O)O)cc1 1834798586 NJYPRUODLPDZCS-UHFFFAOYSA-N 467.278 -0.338 50 20 JBGD Nc1nc2cc(C(=O)N3CCO[C@]4(COCCN(C(=O)c5cccc(B(O)O)c5)C4)C3)ccc2s1 1835785997 USEUKPGIFIDKPF-QHCPKHFHSA-N 496.354 -0.058 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)c3cccn4cncc34)C2)C1 1835936777 CMTSUNSIXYUAQP-QHCPKHFHSA-N 464.287 -0.602 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccn4nccc4c3)C2)C1 1837458800 CYQJMSBACSCYAP-QHCPKHFHSA-N 479.497 -0.283 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)CC[C@H]3CCOC3)C2)C1 1837461346 UTOSCAPYAVTXIH-AOMKIAJQSA-N 461.519 -0.428 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCC(OC2CCN(C(=O)c3cc(=O)n4[nH]cnc4n3)CC2)CC1 1837918138 FBRIJZUDRLXFOC-UHFFFAOYSA-N 488.549 -0.597 50 20 JBGD CCOC(=O)c1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)ccn1 1838721653 MGTUWCJLXCWINY-XMMPIXPASA-N 497.313 -0.678 50 20 JBGD COc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)ccc1O 1838975368 IFSDFSHTKGUTCT-JOCHJYFZSA-N 464.519 -0.156 50 20 JBGD COc1ccc(OCC(=O)N2CCOC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)cc1 1840182416 CAXRJWFVVOHTLR-QHCPKHFHSA-N 478.546 -0.097 50 20 JBGD C[C@H](Cc1ccco1)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1840469289 HYKRTRZIIAUHRW-HXOBKFHXSA-N 456.304 -0.092 50 20 JBGD O=C(Nc1ccc(NC(=O)c2cc(B(O)O)cc([N+](=O)[O-])c2)cc1)c1cc(B(O)O)cc([N+](=O)[O-])c1 195802716 JBHJLTFEEOIBFO-UHFFFAOYSA-N 493.990 -0.633 50 20 JBGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)c2cc(S(N)(=O)=O)ccc2N2CCOCC2)c1 915197395 CHCJVHCDVFUAHF-UHFFFAOYSA-N 482.540 -0.351 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1Cc3ccccc3CN1)CCO2 1779030326 NYLGHNNZRGHCRX-YKSBVNFPSA-N 464.526 -0.157 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](N)Cc1cccnc1)C2 1779373110 BIRSRJDPTRBKTJ-DCLXLUIPSA-N 481.557 -0.222 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CC[C@H]4CCC(=O)N4C3)C2)C1 1781055120 QJUVCZWJRXAYIB-SYJLOODJSA-N 470.530 -0.470 50 20 JBGD NC(=O)c1ccccc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786984989 GUPCBUWQHUKVAF-YSSFQJQWSA-N 451.288 -0.628 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3C[C@@]34C(=O)Nc3ccccc34)C[C@@H]21)c1cccc(B(O)O)c1 1786986572 MDOBZTTUFSRVSR-GHVLPECXSA-N 489.337 -0.130 50 20 JBGD Cc1cnc2c(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)c5cnccc5C(=O)NN)C[C@@H]43)cnn2c1 1788337292 QOTBFZQNCQMDPX-JVPBZIDWSA-N 478.513 -0.057 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CCCS3(=O)=O)[C@H]2C1 1790747616 IIRQFQCDDFDPQN-UKZVOZDVSA-N 479.559 -0.323 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1[C@@H](O)CCN1C(=O)OCc1ccccc1)C2)[C@@H](O)CCl 1792982888 VHYJLGZGFMDIMP-XSEPRYCASA-N 495.960 -0.052 50 20 JBGD C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](Cc1ccc(B(O)O)cc1)NC(=O)OC(C)(C)C)C2 1800451836 HUVBTHDSPQRVFC-NZGUISNBSA-N 485.346 -0.975 50 20 JBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCS(=O)(=O)c1ccccc1)C2 1801013315 NKAVSANUSAZDAB-FAQVEIGNSA-N 480.587 -0.187 50 20 JBGD C[C@H](O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](Cc1ccc(B(O)O)cc1)NC(=O)OC(C)(C)C)C2 1801953071 JBHJXAFNVRMZJF-ZQOVORKSSA-N 489.378 -0.179 50 20 JBGD O=C(CCN1CCOC1=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1818691015 ABQJWNNEAXFAAX-AWEZNQCLSA-N 458.305 -0.109 50 20 JBGD CN1CCN(CC(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc(B(O)O)c3)CC2)CC1 1827059413 OWRIFNGXDBVZQN-JOCHJYFZSA-N 456.396 -0.153 50 20 JBGD O=C(Cn1cc([N+](=O)[O-])cn1)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1832799818 DFPVNIKTYFHOTR-ZFWWWQNUSA-N 464.248 -0.062 50 20 JBGD C[C@H](Br)C(=O)N1CCC(N2CCC(NC(=O)CN3CC(=O)NC3=O)CC2)CC1 1833713006 TVUFCKKJWZZXRL-LBPRGKRZSA-N 458.357 -0.107 50 20 JBGD C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1)n1cccc1C=O 1835928640 UBKYJAHOYFRORV-HXOBKFHXSA-N 469.303 -0.688 50 20 JBGD CC(C)c1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)n[nH]1 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Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)nn1C(F)F 1838706877 IHNIDGLPSBGXRA-NRFANRHFSA-N 493.471 -0.031 50 20 JBGD CC(C)c1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)on1 1838774412 LPMHYNBFHUYLAB-JOCHJYFZSA-N 457.292 -0.138 50 20 JBGD O=C(Cn1cc([N+](=O)[O-])cn1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839198553 HZKUTTCVEDHHMG-HIFRSBDPSA-N 464.248 -0.062 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)CN(C)C(=O)OC(C)(C)C)C2)C1 1840183936 IUXNWTQMXJBJEE-JOCHJYFZSA-N 485.582 -0.317 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc4c(c3)OCO4)C2)C1 1840184121 TXMFHVQMVWIDHX-HSZRJFAPSA-N 476.530 -0.213 50 20 JBGD CC(C)(C)OC(=O)N[C@@]1(C(=O)N2CC3(CCCN3C(=O)c3ccc(B(O)O)cc3)C2)CCOC1 1843011871 DZXXEZLYXWXBOR-QHCPKHFHSA-N 473.335 -0.133 50 20 JBGD CCS(=O)(=O)N1CCC(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)(c2ccccc2)CC1 728388124 GAJRXRFNVKSAHI-HNNXBMFYSA-N 457.574 -0.048 50 20 JBGD Cn1cnc2c1c(=O)n(CC(=O)NNC(=O)NCc1cccc(C(F)(F)F)c1)c(=O)n2C 742457538 HRRMJURCNHQMLU-UHFFFAOYSA-N 453.381 -0.017 50 20 JBGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)CNS(=O)(=O)c1c(C)noc1C 771806641 AVUWFZBBQAMPRE-UHFFFAOYSA-N 458.522 -0.368 50 20 JBGD O=C(CCNS(=O)(=O)c1cccc(Br)c1)NNC(=O)[C@H]1CCS(=O)(=O)C1 788024019 QAYWZOZXAFJJGD-JTQLQIEISA-N 468.351 -0.300 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C[C@H]1NC(=O)NC1=O)C2 1778091458 GAICOAVEHVHDJK-RPVJRLOBSA-N 487.517 -0.768 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H]2CCCS2(=O)=O)C1 1781655316 YPWIMXMXCANWST-CSODHUTKSA-N 479.559 -0.610 50 20 JBGD CNc1nsnc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21 1783521553 LAEIEISWTIVYLC-BPNCWPANSA-N 460.520 -0.515 50 20 JBGD COC(=O)[C@@H]1CCC[C@H](C(=O)N2CC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)C1 1783858084 DWNWDYCVPBFUBF-IXFSTUDKSA-N 458.320 -0.211 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]2C1 1784083934 IGIXZKHNAQWIOP-QXKUPLGCSA-N 463.959 -0.159 50 20 JBGD COC(=O)[C@H]1CC[C@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)CC1 1786982680 CWPJUPMPSMPFTG-BWOMAWGNSA-N 472.347 -0.061 50 20 JBGD Cc1cc(C)n(CCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)n1 1786983888 VKULRNHKWKXLAG-JBACZVJFSA-N 454.336 -0.137 50 20 JBGD CC(=O)N1CCN(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](F)Br)C[C@@H]32)CC1 1788248362 JMSPYFGXMBUSEP-QBYUYEEZSA-N 463.348 -0.179 50 20 JBGD CC(C)(C)OC(=O)N1CCOC[C@@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)CCl 1792975310 NMIGWRLJCYLRGD-DGADGQDISA-N 461.943 -0.188 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)[C@H]1CCc2ccccc2[C@@H]1O 1793035190 JTGZFCWCNORNPH-MHYJACLRSA-N 464.327 -0.134 50 20 JBGD CN1CCCn2nc(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)c3ccc(B(O)O)cc3)cc2C1 1796189389 GUDBTGIHOPJEGT-REPLKXPHSA-N 451.336 -0.036 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CS(C)(=O)=O)C2 1798522282 NCSAONATJLOBMH-IVWMJMPLSA-N 469.472 -0.232 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1ccncc1=O 1800194159 PBIXKLJOQWXXRH-KRXQYRFLSA-N 483.953 -0.035 50 20 JBGD C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1802482514 NSLNNBGPYAOCLD-BKRNEDDOSA-N 462.315 -0.061 50 20 JBGD CN[C@H](CC(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1)C(=O)O 1807370412 CVWAZAJTZRHPEK-YVWKXTFCSA-N 454.292 -0.856 50 20 JBGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1)[C@H]1CCCS1(=O)=O 1812495843 IYMGHNZMMHUSEV-DFQSSKMNSA-N 471.344 -0.342 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)c2cc(=O)n3[nH]cnc3n2)[C@@H]1c1cccnc1 1813070495 IBRXJDPHXFTPJL-FOIQADDNSA-N 481.517 -0.495 50 20 JBGD COC[C@@H](NC(C)=O)C(=O)N[C@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815344137 KASRHIBNRFRHGF-GOEBONIOSA-N 460.321 -0.800 50 20 JBGD CN(C)NC(=O)CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H](O)N2CCOCC2)[nH]n1 1822415337 YUEHFEMMAGUGCK-BEFAXECRSA-N 451.528 -0.575 50 20 JBGD CC[C@H](C)[C@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C2)C1 1831508326 CZUMSRLDQCAGMK-KMYHCBPRSA-N 463.535 -0.016 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1Cc3ccccc3CN1C)CCO2 1832471565 ITLRWLGSQAFLNP-OFVILXPXSA-N 487.601 -0.128 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)C1CCC(CO)CC1)CCO2 1832517789 CYRGXWLBFTXGSY-KXXGJQBSSA-N 460.336 -0.765 50 20 JBGD O=C1CC[C@@H](C(=O)NC2CCN(C3CCN(C(=O)c4cccc(B(O)O)c4)CC3)CC2)CN1 1833120327 VIYRETNEKXHLOD-QGZVFWFLSA-N 456.352 -0.922 50 20 JBGD O=C(C[C@@H]1NC(=O)NC1=O)NC1CCN(C2CCN(C(=O)[C@H](F)Br)CC2)CC1 1833765757 JGFORMFTAHHYLX-JSGCOSHPSA-N 462.320 -0.153 50 20 JBGD CN1CCC[C@@H](C(=O)N2CCC(N3CCC(NC(=O)c4cccc(B(O)O)c4)CC3)CC2)C1 1834801162 OBHOOLOMTYGGPJ-LJQANCHMSA-N 456.396 -0.107 50 20 JBGD O=C(CCBr)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)C(F)(F)F)C2)C1 1834826381 NBAWPUJLNCNKFT-AWEZNQCLSA-N 460.247 -0.094 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(C)(C)C)CCO2)C1 1835613169 JRRPDMHDUKTMEB-NJRDNMGOSA-N 462.551 -0.035 50 20 JBGD CC(C)N[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1)C(C)C 1835899670 VXPAZGCFVXHOBA-CVDCTZTESA-N 476.578 -0.222 50 20 JBGD C=C(Oc1ccccc1O)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835928762 YHDAXPDDFIBQEN-DEOSSOPVSA-N 482.298 -0.265 50 20 JBGD O=C(Cc1c(F)cccc1F)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835931296 LVSFERPBKXMDKD-QHCPKHFHSA-N 474.269 -0.043 50 20 JBGD COc1cccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)c1 1835931694 XNRVYCYFJHKDQV-HSZRJFAPSA-N 454.288 -0.241 50 20 JBGD CCc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)nn1C 1835938434 VOIWYMCRQBXWGR-JOCHJYFZSA-N 456.308 -0.954 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn4ccsc4n3)C2)C1 1837459679 WLSHUJPILOAMME-NRFANRHFSA-N 485.526 -0.222 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccccc1C(N)=O)CCO2 1839351268 AFLJQAHKXONPCK-JOCHJYFZSA-N 461.519 -0.772 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)c1n[nH]c3cccc(F)c13)CCO2 1839598595 SHLLNCZXNJBBDK-QHCPKHFHSA-N 482.277 -0.234 50 20 JBGD Cc1cnn([C@H](C)C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)c1 1840403400 DTJRPEVVRCACGS-VGSWGCGISA-N 456.308 -0.797 50 20 JBGD CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)N1CCCC12CN(C(=O)c1cnccc1C(=O)NN)C2 1843104743 CVXKECLPZPKYEC-YOEHRIQHSA-N 488.545 -0.128 50 20 JBGD O=C(CNC(=O)c1cccs1)NNC(=O)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 725872527 DLGVJIITFDMFPM-UHFFFAOYSA-N 476.540 -0.015 50 20 JBGD N#Cc1cccc(S(=O)(=O)NCC(=O)NNC(=O)c2csc(N3CCOCC3)n2)c1 912852150 MDSFMZVWPCBJKD-UHFFFAOYSA-N 450.502 -0.409 50 20 JBGD COc1cc2c(cc1OC)[C@@H](CC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)N(S(C)(=O)=O)CC2 920297800 PLWHVOQJJYYCIU-BXUZGUMPSA-N 492.576 -0.962 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(O)nc(O)n2)C1 1778020630 UPFIYYWLLYBRRB-JLTOFOAXSA-N 450.496 -0.612 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc[n+]([O-])cc1)C2 1779372700 XXIMIXJCEJMZQY-XMSQKQJNSA-N 454.487 -0.240 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(=O)c3cccs3)[C@H]2C1 1785336411 UTZXXDFNSNYDLU-JQFCIGGWSA-N 486.554 -0.230 50 20 JBGD Cc1nc(O)c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cnccc4C(=O)NN)C[C@@H]32)nc1C 1785574035 KXKQFWFFQOCPOL-JQFCIGGWSA-N 469.502 -0.295 50 20 JBGD CN(CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCC(=O)N1)C2)NC(=O)NCc1ccccc1 1799094823 MFPBMQWNUHISJV-NYUBLWNDSA-N 472.546 -0.799 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1cc(Cl)c(O)cc1O 1799444476 LHTKNHGWWBUVIB-DBWKPXFBSA-N 460.679 -0.052 50 20 JBGD CS(=O)(=O)CC(=O)NC[C@@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1806768421 JTUYXECAJGMMTR-KBXCAEBGSA-N 460.516 -0.556 50 20 JBGD CN1C(=O)CC[C@H]1C(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1808756688 BLKBPXMDVCTZSX-SLYNCCJLSA-N 450.304 -0.298 50 20 JBGD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2cc3n(n2)CCNC3=O)[nH]n1)c1ccc(B(O)O)cc1 1817470950 AJPMNEPPGGHODO-QGZVFWFLSA-N 477.290 -0.351 50 20 JBGD O=C([C@@H]1C[C@H](O)CN1)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@@H](O)CCl)C2)C1 1829202209 CJNGPZQGFGTCQY-KGYLXKDPSA-N 494.976 -0.239 50 20 JBGD O=C(c1ccc(-n2c(O)nnc2O)cc1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830732157 SHUCIZSXNBSWBZ-YWZLYKJASA-N 481.893 -0.652 50 20 JBGD COc1cc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)ccn1 1832594395 HAYYYDOWHPZSBI-DEOSSOPVSA-N 483.330 -0.527 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc(OCF)cn3)CCO2)C1 1833569616 BFNMJCOGNSNPPG-OAQYLSRUSA-N 489.464 -0.835 50 20 JBGD C[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(=O)nc4cccnn34)CCO2)C1 1838503235 JPLTUJWCWYDCIF-DJJJIMSYSA-N 480.319 -0.057 50 20 JBGD COc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)ccc1O 1838973256 WKUBAQFISLNSFM-HSZRJFAPSA-N 470.287 -0.536 50 20 JBGD Cc1cn(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](F)Br)CCO3)c(=O)nc1O 1839203332 IMYJVCIDJSTECP-DYVFJYSZSA-N 477.287 -0.596 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCCS1(=O)=O)CCO2 1839781784 FCWQMAQKDBQPJO-RCQWNHEVSA-N 495.558 -0.846 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn(-c4cccnc4)c3)C2)C1 1840183390 BMEZNQAHXQAHRV-HSZRJFAPSA-N 485.545 -0.290 50 20 JBGD COc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)ccc1F 1840681937 JMOANTMIJDVGDM-QHCPKHFHSA-N 472.278 -0.102 50 20 JBGD COCCOCCOCCOCC(=O)N1CC2(CCCN2C(=O)c2cnccc2C(=O)NN)C1 1844265411 ZEEHGCYEHRQQCE-UHFFFAOYSA-N 479.534 -0.802 50 20 JBGD CNS(=O)(=O)c1ccc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1 725896607 MMCGNKCLXGEOJO-UHFFFAOYSA-N 482.540 -0.310 50 20 JBGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)c1 728176367 NMGGGOSIOSIAEI-INIZCTEOSA-N 474.605 -0.061 50 20 JBGD COc1ccc(CC(=O)NNC(=O)CCN2C[C@H](C)O[C@@H](C)C2)cc1S(=O)(=O)N1CCOCC1 912921325 MGMLGSPQTYROAN-IRXDYDNUSA-N 498.602 -0.095 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)c3nc(O)n4c3CCCC4)C2)C1 1779343815 XGVSZURIQGXQMQ-JOCHJYFZSA-N 454.292 -0.638 50 20 JBGD COC(=O)CSCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnccc2C(=O)NN)C1 1779371138 HIEZMHKCQUNVKX-IIBYNOLFSA-N 479.559 -0.281 50 20 JBGD CC[C@H](NC(N)=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnccc2C(=O)NN)C1 1779373463 UMPXQXISFCWUCT-GCKMJXCFSA-N 461.523 -0.741 50 20 JBGD C[C@@H]1Oc2ccc(C(=O)N3CC[C@]4(CN(C(=O)c5ccc(B(O)O)cc5)CCO4)C3)cc2NC1=O 1780175279 GIKWBAGUILHFTA-IZHWHUGBSA-N 479.298 -0.157 50 20 JBGD Cc1nn[nH]c1C(=O)N1CCO[C@@]2(CCN(C(=O)CN(C)NC(=O)NCc3ccccc3)C2)C1 1780970630 ZBEOTXDSWNMJLJ-JOCHJYFZSA-N 470.534 -0.097 50 20 JBGD COc1ccc([C@H](O)C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)cc1 1783770449 IEBKTVRGTQKAAS-MQGJPIDWSA-N 468.315 -0.298 50 20 JBGD COc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)cc1O 1783784117 VGOMKYWWJRMQMO-JLMWRMLUSA-N 468.315 -0.083 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1nnc(-c2ccccc2)o1 1797820230 TVRXTGAYKSIDLI-IZZQQSIFSA-N 462.271 -0.067 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(=O)c1cc(C)on1 1797828056 GLCRTYMBVQGPCA-DHMDNZFNSA-N 485.501 -0.564 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H](CNC(=O)CN2CCOC2=O)[C@@H]1c1cccnc1 1803336125 HSVOZZLGZQZJNB-BEFAXECRSA-N 467.486 -0.148 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H](CNC(=O)Cn2cnnn2)[C@H]1c1cccnc1 1807611080 JOJAXXNPRHAJGB-RDTXWAMCSA-N 450.463 -0.914 50 20 JBGD C[C@H](C(=O)N1CCC2(CCCN(C(=O)c3ccc(B(O)O)cc3)C2)CC1)N1CCN(C)CC1 1809969599 KKBNCIPKHXEYCF-LJQANCHMSA-N 456.396 -0.153 50 20 JBGD CCS(=O)(=O)N[C@@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)CCC(=O)NN(C)C)sc2C1 1826082854 GAAWPTXCQYSWHH-NWDGAFQWSA-N 474.609 -0.244 50 20 JBGD O=C(c1ccc([N+](=O)[O-])c2c1OCO2)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830731437 JRJAZGAMGDPYDF-IFXJQAMLSA-N 471.850 -0.007 50 20 JBGD C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](O)CCl)CCO2)C1 1830739206 ZZPBCUSHNRRHDS-MRUHUIDDSA-N 473.954 -0.041 50 20 JBGD C[C@H](C(=O)NC1CCN(C2CCN(C(=O)[C@H](O)CCl)CC2)CC1)[C@@H]1SC(=N)NC1=O 1835109960 KZDNKSLVJKRURL-GLQYFDAESA-N 460.000 -0.040 50 20 JBGD C[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1)N1CSCSC1 1835930417 ILHASKSIADRLGT-HRAATJIYSA-N 495.432 -0.521 50 20 JBGD C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835931800 DAAXHQCSXWYCOP-WAIKUNEKSA-N 491.350 -0.650 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC(=O)N(C4CCCC4)C3)C2)C1 1835934318 VJSPKTUTOCEJAD-DFBJGRDBSA-N 499.373 -0.773 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)c3cc(-n4ccnc4)ccn3)C2)C1 1835937941 BNOXELAUMRJACQ-DEOSSOPVSA-N 491.313 -0.669 50 20 JBGD COC(=O)[C@@H]1CCC[C@@H](C(=O)N2CCOC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)C1 1835939845 KQTLTYMVRXVBNW-ROMRWMGNSA-N 488.346 -0.584 50 20 JBGD O=C(C[C@@H]1CNc2ccccc2O1)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1837351642 UATLVUVDIQRMEK-CJFMBICVSA-N 495.341 -0.300 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cncnc3)C2)C1 1837457878 UORZAQCDGIHFDZ-JOCHJYFZSA-N 469.502 -0.822 50 20 JBGD Cc1ccc(OC(C)(C)C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)nc1 1839052942 USHAOKDWYNLKOI-VWLOTQADSA-N 497.357 -0.003 50 20 JBGD O=C(Cc1ccc(F)cc1F)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1839978624 RDMYHELNEVGGKL-QHCPKHFHSA-N 474.269 -0.043 50 20 JBGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(=O)nc4cccnn34)C2)C1 1840034289 HJJYANSSDQXXBX-ORAYPTAESA-N 480.319 -0.057 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)n1cncn1)CCO2 1840418395 XWAVLIYIHHBAGU-PCBMKQIFSA-N 472.506 -0.571 50 20 JBGD CC[C@@H](NC(N)=O)C(=O)N1CC2(CCCN2C(=O)CN(C)NC(=O)NCc2ccccc2)C1 1845038703 JWIPNARCGIOJIV-QGZVFWFLSA-N 459.551 -0.017 50 20 JBGD O=C(CCNS(=O)(=O)c1ccc2c(c1)OCCCO2)NNC(=O)c1ccc(-n2cnnn2)cc1 104740678 GSFDSRBGGWJQDZ-UHFFFAOYSA-N 487.498 -0.047 50 20 JBGD C[C@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2)N1C[C@@H]2C[C@H]2C1 1779248126 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458.288 -0.125 50 20 JBGD O=C1CC[C@H](C(=O)N2CC[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)CN1 1807366070 SBGMTHUIEDPDAA-BBTUJRGHSA-N 450.304 -0.393 50 20 JBGD C[C@@H](C(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1)N1CCN(C)CC1 1807894216 ZLODILOEBRNUQZ-ZEYPLWLESA-N 479.390 -0.283 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1810304175 AMSJYFVOPYUNNU-IIBYNOLFSA-N 482.545 -0.227 50 20 JBGD COC[C@H](NC(C)=O)C(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1810559353 KEZNJYNMDDFLPK-GIVPXCGWSA-N 468.319 -0.768 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)CS(=O)(=O)N2CCCC2)[C@@H]1c1cccnc1 1813071251 QJBQPKUAFAYOGE-XMSQKQJNSA-N 494.618 -0.114 50 20 JBGD CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CC[C@H](CNC(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1 1813074035 NWKSPYXMUMHNJS-KKLQWCBXSA-N 498.588 -0.069 50 20 JBGD Cn1c(=O)c2c(ncn2CC(=O)N2CCCC[C@H]2c2cc(NC(=O)[C@@H](O)CCl)n[nH]2)n(C)c1=O 1814868326 YQBDVVOKHUSDHB-STQMWFEESA-N 492.924 -0.551 50 20 JBGD O=C(COc1ccc(O)cc1)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1830342899 VCYRJSAHFHDLKN-HSZRJFAPSA-N 470.287 -0.779 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(CN(C(=O)C[C@@H]3CCCCO3)CCO2)C1 1832344807 QXWUHDVXLNCFLT-KSFYIVLOSA-N 461.519 -0.286 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(CN(C(=O)CCBr)CCO2)C1 1834823041 GATZDCNZJZRLEK-GOSISDBHSA-N 470.324 -0.460 50 20 JBGD O=C(CCN1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1835132264 PVWSFTLHMWLAJH-QHCPKHFHSA-N 459.352 -0.688 50 20 JBGD CCCC(=O)N[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1835818408 GXFHDIFNABITJU-KRWDZBQOSA-N 472.395 -0.144 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)[C@H]3ON=C(c4ccccc4)O3)C2)C1 1835930221 CVVVERWKYIERCZ-RPWUZVMVSA-N 495.297 -0.829 50 20 JBGD CC(=O)O[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1)C(C)C 1835930559 NBEBILYKMRJSKK-UGKGYDQZSA-N 462.308 -0.976 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CC(c4ccccc4)=NO3)C2)C1 1835933767 CKXQHDJQBOYYQP-WIOPSUGQSA-N 493.325 -0.370 50 20 JBGD O=C(CS[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1837506460 OXNYPRLXOWYTMJ-IRLDBZIGSA-N 478.376 -0.304 50 20 JBGD CC(=O)N(C)[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1837919502 ZLLAJOCEDNXLHS-INIZCTEOSA-N 459.352 -0.155 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc4ccccn4n3)C2)C1 1840183998 NAFXRFQIMBQDFB-NRFANRHFSA-N 459.507 -0.828 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncn(C)c3C(F)(F)F)C2)C1 1840184541 SWJDDFHPNMPKKK-IBGZPJMESA-N 490.483 -0.118 50 20 JBGD Cc1n[nH]c(C)c1CC(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840185681 UXZCPZZVYXJAPB-NRFANRHFSA-N 450.540 -0.602 50 20 JBGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3C(=O)CSC3=S)CCO2)C1 1840896944 CMVRUDRYUBQXRL-SJKOYZFVSA-N 465.981 -0.443 50 20 JBGD O=C(c1ccc(-n2c(O)nnc2O)cc1)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843014372 COKXZUUTTHKFDE-UHFFFAOYSA-N 463.259 -0.511 50 20 JBGD COc1cc2c(cc1OC)[C@@H](CC(=O)NNC(=O)NCCn1cncn1)N(S(C)(=O)=O)CC2 726708881 IZKKLNOIQOBILP-OAHLLOKOSA-N 481.535 -0.425 50 20 JBGD COc1ccc(S(=O)(=O)NCC(=O)NNC(=O)c2csc(N3CCOCC3)n2)cc1OC 768989306 OPBRRSRLALJHTA-UHFFFAOYSA-N 485.544 -0.264 50 20 JBGD CCN=c1nc(NCC)n2c(SCC(=O)NNC(=O)[C@@H]3COc4ccccc4O3)n[nH]c2n1 794536164 ZGIIWVJQCINONV-ZDUSSCGKSA-N 473.519 -0.116 50 20 JBGD O=C1CN(S(=O)(=O)c2cccc(C(=O)NNC(=O)c3ccc4c(c3)OCCO4)c2)CCN1 908014956 LAUQYFGIHACFEC-UHFFFAOYSA-N 460.468 -0.347 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)[C@@H]3CN(Cc4ccccc4)CCO3)C2)C1 1778276382 PNPFCRHWSKMSAX-OZXSUGGESA-N 493.369 -0.289 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(CCN(C(=O)C(=O)Nc3cccnc3)C2)C1 1779201864 OGQSLUBBQGEDIG-OAQYLSRUSA-N 453.459 -0.838 50 20 JBGD CN(CC(=O)N1CC[C@]2(CN(C(=O)CSCC(=O)O)CCO2)C1)NC(=O)NCc1ccccc1 1780967956 FXADJIPEQFLZAZ-JOCHJYFZSA-N 493.586 -0.020 50 20 JBGD CS(=O)(=O)c1cncc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)c1 1786980141 NAYLIIRIHVRQLB-YSSFQJQWSA-N 487.343 -0.928 50 20 JBGD C[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](CCl)NC(=O)OC(C)(C)C)n1cnnn1 1793882323 HXCQWSIUJVTPFX-RMEBNNNOSA-N 471.946 -0.044 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@H]1NC(=O)NC1=O 1793940469 FACZPHMNJSKTAA-GEJOOGBSSA-N 487.941 -0.694 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cc([N+](=O)[O-])cn1 1794003829 XBWMELYIJFETRS-GBQKICQVSA-N 472.462 -0.485 50 20 JBGD CN(CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccnn1C)C2)NC(=O)NCc1ccccc1 1799095070 SLUFOMFXKBWYOX-RMFSNUHRSA-N 469.546 -0.031 50 20 JBGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])CC2)c1ccc(B(O)O)cc1 1815344132 JMJMAQSELKAGHJ-LLVKDONJSA-N 456.249 -0.006 50 20 JBGD O=C(CNC(=O)c1cccnc1)N[C@@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815350338 QOFDTPOTYGKSSP-MRXNPFEDSA-N 479.327 -0.126 50 20 JBGD CN(C)NC(=O)CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)CN(C)C(=O)C(=O)O)[nH]n1 1822416709 LGBNJLQUIPBBCL-ZDUSSCGKSA-N 451.484 -0.682 50 20 JBGD COc1nn(C)cc1C(=O)NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834080473 RSHZTZHUTRPJLM-UHFFFAOYSA-N 469.351 -0.393 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCc4ccoc4C3)C2)C1 1835925923 AXZPAJVUKWQHLZ-CYFREDJKSA-N 468.315 -0.166 50 20 JBGD CCc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)n(C)n1 1835931045 DQYMBAPARBSLNK-JOCHJYFZSA-N 456.308 -0.954 50 20 JBGD C[C@H](C(=O)NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1)N1CCN(C)CC1 1836372678 WNDHDGVKUFOEMR-LJQANCHMSA-N 485.438 -0.813 50 20 JBGD CCOC(=O)N[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)Br)C2)C1 1837211122 HQWNHRIIDBZDHV-OZVIIMIRSA-N 452.302 -0.709 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCCSC3)C2)C1 1837461318 UMASWMOJXKQBGM-BTYIYWSLSA-N 463.560 -0.102 50 20 JBGD COC[C@H](NC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)Br)C2)C1 1837735868 BNHAENJDYQIKFJ-IFIJOSMWSA-N 450.330 -0.623 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnc3snnc3c1)CCO2 1838513436 RCAGJKNVPXZRFJ-FQEVSTJZSA-N 477.547 -0.471 50 20 JBGD CN(CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc[nH]3)C2)C1)NC(=O)NCc1ccccc1 1839054361 VSSOHLJZSGRSDT-QHCPKHFHSA-N 485.545 -0.174 50 20 JBGD CC[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCN(C)CC3)C2)C1 1839965353 WNFPGVIXWUNRRV-APWZRJJASA-N 461.401 -0.136 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc4c3NC(=O)C4)C2)C1 1840185577 UFLISFAHQSAKFH-QHCPKHFHSA-N 473.530 -0.376 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(OCCCO)cc3)C2)C1 1840186041 ZREOERHDFOQMHM-XMMPIXPASA-N 492.573 -0.109 50 20 JBGD Cc1cnn([C@@H](C)C(=O)N2CCO[C@@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)c1 1840406966 COJYEGPXXSKNAF-LAUBAEHRSA-N 450.540 -0.418 50 20 JBGD Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NNC(=O)C1CCN(c2ncccn2)CC1 728847380 CIZHNRTWNTVQTO-UHFFFAOYSA-N 477.547 -0.486 50 20 JBGD COc1ccc(C(=O)NNC(=O)COC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)cc1OC 753639563 FDNSJYBIEPOAIP-CYBMUJFWSA-N 496.498 -0.827 50 20 JBGD CCn1cnc2c1c(=O)n(CC(=O)NNC(=O)CCn1cncn1)c(=O)n2Cc1ccccc1 818032244 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1838669240 QFBYXFSEBSAPOA-JOCHJYFZSA-N 455.276 -0.841 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1c(O)cc(O)cc1O)CCO2 1839372752 MJXLVFQYBZPRPS-JOCHJYFZSA-N 487.469 -0.814 50 20 JBGD C=CCC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1839889114 CCHFRWKCXSWJRJ-LJQANCHMSA-N 453.446 -0.034 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1C[C@]1(F)Cl)CCO2 1840245920 CCGAPULGVURVIK-MDASCCDHSA-N 455.874 -0.320 50 20 JBGD CC(C)(C)OC(=O)NCCOCC(=O)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843014364 BKNIFTYSIALHSR-UHFFFAOYSA-N 461.324 -0.275 50 20 JBGD CC(C)(C)OC(=O)N1C[C@](C)(O)C[C@H]1C(=O)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843015259 YFQZGKVJOGRHHQ-FDDCHVKYSA-N 487.362 -0.056 50 20 JBGD CS(=O)(=O)CCNC(=S)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 729157738 HUEGGJYRABKDJV-UHFFFAOYSA-N 478.618 -0.820 50 20 JBGD Cc1nc(S(=O)(=O)N2CCC(C(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)CC2)cn1C 747700268 KFHUFTXWBDEHCM-UHFFFAOYSA-N 473.519 -0.434 50 20 JBGD CCn1cnc2c1c(=O)n(CC(=O)NNC(=O)CCc1cnn(C)c1)c(=O)n2Cc1ccccc1 918016818 JRJASMQUWGATIQ-UHFFFAOYSA-N 478.513 -0.058 50 20 JBGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 1317819686 DPMMFNJELQTHNY-STQMWFEESA-N 471.561 -0.915 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1779102303 GUZLBSOEEPPMNX-CWZGJQGVSA-N 460.491 -0.342 50 20 JBGD C[C@@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2)n1ccccc1=O 1779524398 CQUKPGDFJFFQIB-WPSZSDGUSA-N 467.331 -0.083 50 20 JBGD CN(CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1CNC(=O)C1)CCO2)NC(=O)NCc1ccccc1 1780969328 WUEMVMNQGOOSNA-JPYJTQIMSA-N 472.546 -0.701 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1COCCN1C(=O)OC(C)(C)C)CCO2 1783934156 AHXQAPGSWSDFKQ-SBUREZEXSA-N 497.593 -0.175 50 20 JBGD COc1cccc(CCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)n1 1785227634 ZVCYEBWQXMHJIF-YYWHXJBOSA-N 467.331 -0.004 50 20 JBGD CC(=O)N1CCN(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](C)Br)C[C@@H]32)CC1 1788248147 YMZCAKDCDUQPMB-IWCQGFGOSA-N 459.385 -0.086 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)C[C@@H]21 1791290655 HHSHHUGBOPMLLT-XSLAGTTESA-N 499.609 -0.385 50 20 JBGD Cn1c(=O)c2c(ncn2CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@H](F)Br)C3)n(C)c1=O 1794252710 KMLNSMCHUNUSKT-MIJXAVMKSA-N 485.314 -0.238 50 20 JBGD CCc1nn(C)c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)c1Cl 1794422594 YQYRXWWSWUPEDK-ZSBFGKGUSA-N 460.727 -0.167 50 20 JBGD C[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CS(=O)(=O)N1CCCC1 1796440742 MZFSMOHCJSAPSZ-GUIRCDHDSA-N 452.371 -0.215 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=O)N(C)C)C2 1798521690 UOEDPIKSQGDOAP-HBCWATKFSA-N 477.474 -0.006 50 20 JBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O)C2 1801012798 YAIDARGBOXOPGY-WFNPHZEWSA-N 497.593 -0.823 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H](CNC(=O)[C@@H]2CNC(=O)O2)[C@H]1c1cccnc1 1803645641 HLSYXXSSYCFASK-XOKHGSTOSA-N 453.459 -0.492 50 20 JBGD O=C(CN1CCS(=O)(=O)CC1)NC[C@@H]1CCN(C(=O)[C@@H](O)CCl)[C@@H]1c1cccnc1 1804193126 UIVMHKJSMOYHEF-XYJFISCASA-N 458.968 -0.583 50 20 JBGD CC(=O)NC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807361713 XASDTDPECCSUOB-QUCCMNQESA-N 452.320 -0.004 50 20 JBGD CS(=O)(=O)CC(=O)N1CC[C@H](CNC(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1810300161 XFGYCMYFBPBUBF-RDTXWAMCSA-N 460.516 -0.556 50 20 JBGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C[C@@H]1NC(=O)NC1=O)CC2 1826084015 XLBLZSFZUWLFJS-ONGXEEELSA-N 451.509 -0.974 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)c1cc(Cl)cnc1O)CCO2 1829560206 ICEHVEKSOJPBNC-NRFANRHFSA-N 475.694 -0.496 50 20 JBGD C[C@@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3nc(N)n[nH]3)C2)C1 1830539268 FWCRCHDSLTUIOH-YVEFUNNKSA-N 459.345 -0.193 50 20 JBGD CC[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1)N(CC)CC 1831670294 LNPMFCBMTIGJFZ-CVDCTZTESA-N 476.578 -0.125 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnnn1C)CCO2 1833230963 MYYQXTJVBLFGQD-RXULLKCLSA-N 458.479 -0.981 50 20 JBGD COC(=O)CSCC(=O)NC1CCN(C2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1 1833480331 OCEQNHUPEGQFIR-UHFFFAOYSA-N 471.624 -0.163 50 20 JBGD O=C(CN1C(=O)CNC1=O)NC1CCN(C2CCN(C(=O)CCBr)CC2)CC1 1833677234 XVJVDWIQIXXFAA-UHFFFAOYSA-N 458.357 -0.105 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnc(N(C)C)o1)CCO2 1833899717 USTNKHIPJGSPLC-BHSKHCGUSA-N 487.517 -0.055 50 20 JBGD Cc1cc(C(=O)NC2CCN(C3CCN(C(=O)c4cccc(B(O)O)c4)CC3)CC2)n(C)n1 1834186697 QLGGMCYZNBUCDH-UHFFFAOYSA-N 453.352 -0.093 50 20 JBGD O=C(Cc1ccccc1F)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1835002718 CVWLTPFFMHWYLR-HSZRJFAPSA-N 456.279 -0.182 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC1CCN(C2CCN(C(=O)C(=O)Nc3cccnc3)CC2)CC1 1835738188 WTKJBIDEYVHTHG-UHFFFAOYSA-N 494.556 -0.096 50 20 JBGD O=C(O)c1cc(C(=O)N2CCC(OC3CCN(C(=O)c4ccc(B(O)O)cc4)CC3)CC2)ncn1 1837289437 MIBAKSLIIGVBTB-UHFFFAOYSA-N 482.302 -0.219 50 20 JBGD CC(=O)Nc1cccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)n1 1837456979 RPADDNZNCGCORY-QHCPKHFHSA-N 497.512 -0.578 50 20 JBGD CC(C)CNC(=O)C(=O)N1CCC(OC2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1837920403 UOCSLRZENBGAAF-UHFFFAOYSA-N 459.352 -0.249 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccn(C(F)F)n1)CCO2 1838039491 PONPGJMVYXYOBN-IBGZPJMESA-N 458.466 -0.279 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnc(O)c3ccn(C)c13)CCO2 1838439944 JSSFLOSAEIHAST-HSZRJFAPSA-N 488.545 -0.278 50 20 JBGD CC(C)c1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)n[nH]1 1838695371 SWSHTMXLSOHVGK-JOCHJYFZSA-N 456.308 -0.403 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(F)c1[N+](=O)[O-])CCO2 1839357040 UUNLMRAFMSETQW-QFIPXVFZSA-N 487.249 -0.203 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(CN(C(=O)CCn3cncn3)CCO2)C1 1840357709 JPTLTJSCEPRTJL-NSRYLYFRSA-N 472.506 -0.741 50 20 JBGD CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NNC(=O)c1ccc2c(c1)OCO2 14800527 FONBMXKQJGLSKB-OAHLLOKOSA-N 483.524 -0.042 50 20 JBGD CNS(=O)(=O)c1ccc(C(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)cc1 17407220 RLFLGKFWLITCPV-UHFFFAOYSA-N 454.530 -0.015 50 20 JBGD COC(=O)c1cc(S(=O)(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c(Br)cc1F 728510906 XTEYCVCKUGBJEZ-ZCFIWIBFSA-N 476.302 -0.378 50 20 JBGD O=C(CNC(=O)c1ccccc1I)NNC(=O)[C@H]1CCS(=O)(=O)C1 732307550 KBJHFSIDPFUNCF-VIFPVBQESA-N 465.269 -0.397 50 20 JBGD Cc1csc(CC(=O)NNC(=O)COC(=O)CN(C)C2=NS(=O)(=O)c3ccccc32)n1 762385695 YIXPQKRFIHUMAZ-UHFFFAOYSA-N 465.513 -0.234 50 20 JBGD COc1cc2c(cc1OC)[C@H](CC(=O)NNC(=O)NCCC(=O)N(C)C)N(S(C)(=O)=O)CC2 916623894 AODMATJFZYVYHJ-HNNXBMFYSA-N 485.563 -0.239 50 20 JBGD COCCn1cnc2c1c(=O)n(CC(=O)NNC(=O)[C@@H]1CCOC1)c(=O)n2Cc1ccccc1 921203342 ZSSUFJZERQCBIM-MRXNPFEDSA-N 470.486 -0.762 50 20 JBGD CC(=O)N1CCN(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C3)CC1 1778910650 SETVTWHHMZMFBT-AUSIDOKSSA-N 480.610 -0.963 50 20 JBGD CC(=O)NC(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN(C)NC(=O)NCc1ccccc1)C2 1793376105 CRUVONVTFSREME-CEQLMSFQSA-N 488.589 -0.163 50 20 JBGD CN1Cc2ccccc2C[C@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1793829853 VLMIIICJAPNBAJ-MQFRRQCYSA-N 463.343 -0.374 50 20 JBGD CC(C)(C)OC(=O)N(CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1)C1CC1 1795737712 LOMGBPGAIINRIX-UPHUGPLXSA-N 487.362 -0.031 50 20 JBGD O=C1Nc2ccccc2/C1=C/C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795739111 OKFALNRPSDWYOH-GDWXXPKMSA-N 461.283 -0.395 50 20 JBGD CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795740521 DVMFCRBBYSDXKT-HNJRGHQBSA-N 487.362 -0.031 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3n(n1)CCCNC3=O)C2 1796441965 KKQXISDVIPHSSH-RVQRMFQJSA-N 496.528 -0.646 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)[C@H]1ON=C(c2ccccc2)O1 1797641224 BUVPRCSQNWOHOY-PDPLOHQNSA-N 465.271 -0.696 50 20 JBGD CC[C@H](NC(C)=O)C(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1802543824 GJRHQUNOUBMSAM-HLAWJBBLSA-N 452.320 -0.004 50 20 JBGD O=C1NCCCn2nc(C(=O)N3CCC4(CCCN(C(=O)c5ccc(B(O)O)cc5)C4)CC3)cc21 1809971971 FBGSXRRXZVKMPU-UHFFFAOYSA-N 479.346 -0.145 50 20 JBGD O=C([C@@H](O)CCl)N1CCC([C@@H]2CCCCN2C(=O)CN2CCS(=O)(=O)CC2)CC1 1824975612 AVMFMKMWYGHNPQ-IRXDYDNUSA-N 450.001 -0.064 50 20 JBGD O=C([C@H](O)N1CCOCC1)N1CCC([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827057999 OWNBXIKZTQIICR-OFNKIYASSA-N 459.352 -0.750 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(=O)oc1)CCO2 1834593020 UBIFCQVZRVVYKS-VCOZGABYSA-N 471.470 -0.156 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1)c1cc2ncccn2n1 1835541452 XXJODYFGVBHYEL-UHFFFAOYSA-N 476.346 -0.092 50 20 JBGD CC(C)N[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1)C(C)C 1835894463 LZDXZMNXARHMJH-REWPJTCUSA-N 461.368 -0.541 50 20 JBGD CCc1cnc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)s1 1837720257 NHXVKQABFUGNON-NRFANRHFSA-N 459.333 -0.231 50 20 JBGD C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1)N1CCN(C)CC1 1839104886 XCBIXOQGQBSXOI-NQIIRXRSSA-N 456.660 -0.070 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnn3cccc(F)c13)CCO2 1839619249 CAYSMSQJESUSPW-QHCPKHFHSA-N 497.487 -0.144 50 20 JBGD COCCOCCOCCOCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](Cl)COC)C2)C1 1840082735 MHVLTNLVDHTTPZ-RXVVDRJESA-N 496.985 -0.607 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCCCC3=O)CCO2)C1 1840105006 POQOFMLIRVYJMA-VAHWYXDJSA-N 488.545 -0.411 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3nnc4ccccc43)C2)C1 1840182404 IPKIQXVCQWZVKP-QFIPXVFZSA-N 473.534 -0.739 50 20 JBGD C[C@H](Cc1ccco1)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1840469291 HYKRTRZIIAUHRW-UZUQRXQVSA-N 456.304 -0.092 50 20 JBGD CCOC(=O)N[C@@H](O)C(=O)N1CCCC12CN(C(=O)CN(C)NC(=O)NCc1ccccc1)C2 1844159215 PIHXOIXCWLPZTJ-SFHVURJKSA-N 476.534 -0.400 50 20 JBGD CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccccc1)C(=O)NNC(=O)[C@@H]1COc2ccccc2O1 21191623 JQTMSYKPRRPIDA-YJBOKZPZSA-N 497.551 -0.244 50 20 JBGD CCCn1nc(C(=O)NNC(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)c2ccccc2c1=O 43740915 GOOFVGHLGSXRKL-UHFFFAOYSA-N 463.454 -0.173 50 20 JBGD COCCn1cnc2c1c(=O)n(CC(=O)NNC(=O)NC1CC1)c(=O)n2Cc1ccccc1 781933910 QPEKILPXBPTGJB-UHFFFAOYSA-N 455.475 -0.453 50 20 JBGD CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 919886006 SNYCBSDEGLFZTB-OCCSQVGLSA-N 471.561 -0.343 50 20 JBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2)c1cnn2c1CCC2 1781281809 GEJLWLFDZBABCB-NFBKMPQASA-N 452.320 -0.050 50 20 JBGD C[C@H](CBr)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(=O)n4[nH]nnc4n3)[C@H]2C1 1787266009 GXOSHRRPPNUFMG-BLFANLJRSA-N 468.312 -0.563 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc4c(c3)n(C)c(=O)n4C)[C@H]2C1 1787961411 DHRGGBVPQKYUSX-ZWOKBUDYSA-N 486.573 -0.157 50 20 JBGD C=CC(=O)N[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C[C@@H]21 1788752653 FZBBPVGUOSIDLS-ZTMZPFTISA-N 458.519 -0.209 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cc(F)ccc1[N+](=O)[O-])C2)c1cccc(B(O)O)c1 1795740570 ASMBKFLNYKZXFY-VPTLXERWSA-N 471.250 -0.140 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2 1796445437 ABFASEAARHJANR-BHTPPFENSA-N 461.523 -0.917 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1C(=O)C=CC1=O)C2 1798523197 WEIWHOSXUFSXKQ-GFENJXEQSA-N 486.437 -0.352 50 20 JBGD CC(C)NC(=O)OC(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1799129094 NVEUTBNERFMYLB-ALXJQNPVSA-N 461.324 -0.517 50 20 JBGD CN[C@H](CC(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1)C(=O)O 1807204244 DQEGSAWHHWJRGG-POAQFYNOSA-N 454.292 -0.856 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)CCS(C)(=O)=O)[C@@H]1c1cccnc1 1813073831 LYSFYHDOCSIBFO-OXJNMPFZSA-N 453.565 -0.105 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827051715 ANCNLQKHZDKOTB-OAQYLSRUSA-N 479.346 -0.088 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)c1cccnc1S)CCO2 1829794275 PKYAIWHEEPAOPQ-NRFANRHFSA-N 457.317 -0.566 50 20 JBGD Cc1nn(C)c(C)c1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1831810334 YWIAYPGSJZPXCF-QFIPXVFZSA-N 456.308 -0.899 50 20 JBGD CS(=O)(=O)c1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)nc1 1833597086 QLUWNWSZJOBEQQ-QAPCUYQASA-N 461.924 -0.845 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)c3cnncc3C(=O)O)CC2)CC1)c1cccc(B(O)O)c1 1834801334 YPAZQUFYUCMEBU-UHFFFAOYSA-N 481.318 -0.646 50 20 JBGD CN(C)c1cncc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)c1 1835927554 SRCJLKJMXOLMSP-QHCPKHFHSA-N 468.319 -0.789 50 20 JBGD C[C@](Cl)(CCl)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835931077 FGYCFMSPZRBYEZ-OALUTQOASA-N 459.135 -0.327 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)c3ccc(OC(F)F)cn3)C2)C1 1835935228 IZYBIQPMFRXLIJ-QFIPXVFZSA-N 491.256 -0.253 50 20 JBGD O=C(c1cc(O)nc(Cl)c1)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835935601 VEYJUHDBNRMWRZ-NRFANRHFSA-N 475.694 -0.496 50 20 JBGD CC(C)(C)n1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)nn1 1835938061 HZYSQJMILOODRR-JOCHJYFZSA-N 471.323 -0.903 50 20 JBGD CCC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(=O)n4[nH]nnc4n3)CCO2)C1 1836403415 GZOKCNXJNPNCPZ-SGTLLEGYSA-N 453.887 -0.710 50 20 JBGD C[C@@]1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cnccc4C(=O)NN)CCO3)C2)CC1(F)F 1837461528 XVLJNSNVBXMAAS-RBUKOAKNSA-N 453.446 -0.200 50 20 JBGD C[C@@](Cl)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4n(n3)CCNC4=O)C2)C1 1839151352 PCSZNIKUAQFJFH-MOPGFXCFSA-N 474.345 -0.067 50 20 JBGD C[C@](Cl)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)CNCP(=O)(O)O)C2)C1 1839151841 FNJPRLMQWWGEEM-GJZGRUSLSA-N 462.267 -0.596 50 20 JBGD Cc1n[nH]c(C)c1CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1839240776 UPTWJZFCBNHWFN-JOCHJYFZSA-N 471.518 -0.662 50 20 JBGD C[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)CCN3C(=O)C=CC3=O)C2)C1 1840030677 SNAHFDMTIFQQEC-ACJLOTCBSA-N 458.309 -0.459 50 20 JBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccnc3CS(C)(=O)=O)C2)C1 1840150652 OVFFRAXKHUVNRQ-JXFKEZNVSA-N 489.978 -0.050 50 20 JBGD CC(C)N1CCC[C@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1840583474 SEOMVVFEIANQDM-CVDCTZTESA-N 474.562 -0.372 50 20 JBGD CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843013460 NKTMGNAUKNZUBM-ROUUACIJSA-N 473.335 -0.446 50 20 JBGD CN(CC(=O)N1CCCC12CN(C(=O)c1ccc(B(O)O)cc1)C2)NC(=O)NCc1ccccc1 1845038673 HGHPSFKTRFJQFM-UHFFFAOYSA-N 479.346 -0.470 50 20 JBGD COc1cc(Br)c(S(=O)(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc1OC 728510347 XHCXFKLRVNGALV-ZETCQYMHSA-N 460.328 -0.287 50 20 JBGD CN(C)S(=O)(=O)c1ccc(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cc1Br 729172194 SGBZLQWXUZJRHD-JTQLQIEISA-N 468.351 -0.105 50 20 JBGD COc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)Cn3ccc(=O)n(C)c3=O)c2)cc1 915063985 XGWHBTAPGMBAKV-UHFFFAOYSA-N 487.494 -0.182 50 20 JBGD Cc1nc2ncccn2c1C(=O)N1CC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1777900986 URIMXLCVOKXFRW-QFIPXVFZSA-N 464.486 -0.206 50 20 JBGD O=C(CCN1Cc2ccccc2C1=O)N1CC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1778182276 JHLDNBVBWCPPNJ-VWLOTQADSA-N 477.326 -0.144 50 20 JBGD COCCn1ccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cnccc2C(=O)NN)C3)n1 1778244571 HLQHKTUBQYLNTK-AUSIDOKSSA-N 485.545 -0.031 50 20 JBGD Cc1nn2cc(CC(=O)N3CCO[C@]4(CCN(C(=O)c5cnccc5C(=O)NN)C4)C3)nc2s1 1779029246 PTERKTYUZNLELS-OAQYLSRUSA-N 484.542 -0.216 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CNC(=O)c1cccnc1)C2 1798440782 RSBGTXYVHIWYDP-MUJYYYPQSA-N 451.487 -0.238 50 20 JBGD CN(CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1nccn1)C2)NC(=O)NCc1ccccc1 1799097905 WNIAHXIXGGWQEG-RMFSNUHRSA-N 470.534 -0.786 50 20 JBGD C[C@](Cl)(CCl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCS(=O)(=O)CC1)C2 1799274316 WXQVGSOMGCPYOZ-YXPYIKCWSA-N 456.392 -0.457 50 20 JBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(C(=O)N(C)C)c1)C2 1801014068 CNLFBPHRDABZLT-RMFSNUHRSA-N 459.547 -0.035 50 20 JBGD O=C(CNC(=O)c1cccnc1)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1804367146 WIXHAZIEQOWDHY-XXBNENTESA-N 487.325 -0.094 50 20 JBGD NC(=O)c1ncccc1C(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1804808474 VRRPUGQITPLJAG-UTKZUKDTSA-N 473.298 -0.111 50 20 JBGD C[C@](O)(CC(=O)O)CC(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807368625 WGUVGATYVFPROG-ODOSVJCGSA-N 469.303 -0.303 50 20 JBGD O=C1CN(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)C(=O)N1 1824967255 OFAHAAPYQRHKOX-SFHVURJKSA-N 456.308 -0.849 50 20 JBGD C[C@@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN(C)C(=O)C(=O)O)C2)C1 1830543903 HECALVBMVBLXLA-YVEFUNNKSA-N 464.313 -0.983 50 20 JBGD Cc1nc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)cs1 1832967501 RGUKDURTJHODAN-NRFANRHFSA-N 459.333 -0.556 50 20 JBGD Cc1ncc(C(=O)N2CCC(N3CCC(NC(=O)c4cccc(B(O)O)c4)CC3)CC2)cn1 1834799819 DHUSKOFFVFBVTG-UHFFFAOYSA-N 451.336 -0.036 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)c3ccc(O)nc3)CC2)CC1)c1cccc(B(O)O)c1 1834800963 CXXYHZGBGNGZRA-UHFFFAOYSA-N 452.320 -0.034 50 20 JBGD Cc1nnc(CC(=O)N2CCC(N3CCC(NC(=O)c4cccc(B(O)O)c4)CC3)CC2)o1 1834801081 NJEWIFFVPGNVBG-UHFFFAOYSA-N 455.324 -0.514 50 20 JBGD COc1ncccc1CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835927097 FIDDSNNLDRVTJO-DEOSSOPVSA-N 483.330 -0.527 50 20 JBGD CCn1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)n1 1837456932 PYBFENJIPBSEBD-NRFANRHFSA-N 457.491 -0.715 50 20 JBGD Cc1ncc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)cn1 1837457217 YAMYCQOASBKAAA-OAQYLSRUSA-N 455.475 -0.833 50 20 JBGD NC[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1)c1ccccc1 1837457553 JDKBGBDKOHBXEU-DVECYGJZSA-N 482.541 -0.502 50 20 JBGD Cc1ncc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)s1 1837461047 MVARBCPWZZBGCI-OAQYLSRUSA-N 474.543 -0.237 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCC(OC2CCN(C(=O)CNCP(=O)(O)O)CC2)CC1 1837835618 HSXAFZKNAOREEZ-UHFFFAOYSA-N 498.477 -0.978 50 20 JBGD Cc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)cc1[N+](=O)[O-] 1839189081 NUGUGXBUBIHXSL-DEOSSOPVSA-N 497.313 -0.104 50 20 JBGD CCNC(=S)NCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)Br)CCO2 1840035314 MUDCIIOFNRYXCE-WBMJQRKESA-N 451.387 -0.290 50 20 JBGD Cc1nc(CC(=O)N2CCOC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)cs1 1840183067 ZYXOWSVOJMHTEN-FQEVSTJZSA-N 453.565 -0.177 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn4c3OCCC4)C2)C1 1840185070 HETMMYBQLRZANH-OAQYLSRUSA-N 464.523 -0.891 50 20 JBGD CCC[C@H](NC(C)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840186632 BSANNZMVWBLSMM-LAUBAEHRSA-N 455.556 -0.879 50 20 JBGD COc1cc(F)ccc1CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1840933793 JRDLAHUGISEAMN-XMMPIXPASA-N 486.305 -0.173 50 20 JBGD CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](C(=O)N2CCCC23CN(C(=O)c2cccc(B(O)O)c2)C3)C1 1845105732 XCPAJULJOWJJBT-QZTJIDSGSA-N 473.335 -0.589 50 20 JBGD O=C1CN(C(=O)c2ccc(CNC(=O)NNC(=O)CNC(=O)c3cccs3)cc2)CCN1 726093719 JAURJFARDAAZLX-UHFFFAOYSA-N 458.500 -0.420 50 20 JBGD O=C(NNC(=O)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1)C(=O)N1CCCC1 748246446 KNFWQKYHJVPMKF-UHFFFAOYSA-N 489.348 -0.147 50 20 JBGD O=C(NNS(=O)(=O)c1cc(C(=O)O)sc1Br)N[C@H]1CCS(=O)(=O)C1 919961070 QCXJKZMOOZWANE-YFKPBYRVSA-N 462.325 -0.112 50 20 JBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)cc1 920238459 DBPDSZBFIMGZGJ-AWEZNQCLSA-N 461.566 -0.630 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)c3cnc4snnc4c3)C2)C1 1780069705 IJQRNYWKRZUOKG-FQEVSTJZSA-N 453.289 -0.477 50 20 JBGD COC[C@H](Cl)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)CCO2 1783883013 BYLIPMNAFXMCQJ-PJSUUKDQSA-N 476.958 -0.161 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C)CCO2 1783936160 DUPRYUAYEDQXQN-SAHWJRBASA-N 497.593 -0.440 50 20 JBGD CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21 1791108217 XHIMTRIFQQBKBZ-FQMQPWHVSA-N 475.970 -0.064 50 20 JBGD CCOC(=O)c1ncn2c1CC[C@@H](C(=O)N1C[C@@H]3COC[C@H](C1)[C@@H]3NC(=O)[C@H](O)CCl)C2 1792983152 BESDZMKXQGIQFX-BDLOOMQFSA-N 468.938 -0.189 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1ccc(-n2cnnc2)cc1 1795493226 SLAKYLYYQZRVEP-RMFSNUHRSA-N 461.287 -0.536 50 20 JBGD CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(B(O)O)cc2)C1 1796188454 IIFJHJIDRGIMJV-IVDHNXQLSA-N 487.362 -0.154 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(=O)n1O)C2 1796440968 HLRAMHWLYLSOAG-GBQKICQVSA-N 456.459 -0.577 50 20 JBGD CC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CSCN1C(=O)[C@@H]1CCC(=O)N1)C2 1799272803 YWIYZMBPMXRXFS-CXKHLATESA-N 472.995 -0.227 50 20 JBGD COc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)c([N+](=O)[O-])c1 1799401385 JFNMEJKZUWQHFD-FAQVEIGNSA-N 483.286 -0.271 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1CCN(C(=O)Cn2cnnn2)[C@H]1c1cccnc1 1810302200 IADRHJGZTVHQHA-KSSFIOAISA-N 450.463 -0.914 50 20 JBGD CCOC(=O)N[C@H](O)C(=O)N1CC[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1 1813073005 JAMOPVVKPQXEHZ-KFKAGJAMSA-N 464.523 -0.475 50 20 JBGD O=C(CN1C(=O)C=CC1=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827060691 XEBFDUWHLDIPRU-IBGZPJMESA-N 453.304 -0.475 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(N)=O)C2)C1 1832551953 WHSCBKRDCOCFHO-ORAYPTAESA-N 477.946 -0.757 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1n[nH]c(C3CC3)c1F)CCO2 1833678654 KKQNNXHQQHVMFM-JOCHJYFZSA-N 472.282 -0.510 50 20 JBGD O=C(CCc1cn[nH]c1)NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1833811989 XNZWSUQZQCOPHG-UHFFFAOYSA-N 453.352 -0.093 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(CN(C(=O)COCc3ccccc3)CCO2)C1 1835368973 YRTSZPRJLQUOSW-XMMPIXPASA-N 483.525 -0.028 50 20 JBGD CC[C@H](C)[C@H](N)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C2)C1 1835595348 QGLQHFWKYVTFTH-SSYNOHPYSA-N 462.551 -0.050 50 20 JBGD C[C@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(=O)n4[nH]cnc4n3)CCO2)C1 1835919376 SFMHPAZLGBTJRJ-KZULUSFZSA-N 483.323 -0.481 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnc(O)[nH]1)CCO2 1838065959 KKVLMAJJXAMQQA-FINLKQIMSA-N 459.463 -0.681 50 20 JBGD COC[C@H](NC(C)=O)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](F)Br)CCO2)C1 1839200903 RXRBFCYTMIQTDI-WOSRLPQWSA-N 454.293 -0.716 50 20 JBGD O=C(COc1ccc(O)nn1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839202882 SFVDZLKPOVUPBY-ZBFHGGJFSA-N 463.260 -0.292 50 20 JBGD O=C(c1cnc2c(c1)CCNCC2)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1839692296 NKKXMIXAUIZRLM-WIYYLYMNSA-N 452.939 -0.561 50 20 JBGD CC(C)(C)OC(=O)N[C@H](CCCNC(=N)N)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](O)CCl 1847559501 XBBRITQJCUZABM-CBBWQLFWSA-N 474.990 -0.056 50 20 JBGD CCS(=O)(=O)N1CCC[C@H](C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)C1 728331155 CSMAXEVINCLKSG-BBRMVZONSA-N 455.489 -0.421 50 20 JBGD O=C(NNS(=O)(=O)c1ccc(I)cc1)N[C@@H]1CCS(=O)(=O)C1 919961057 PXGWNQYBKZZDEM-SECBINFHSA-N 459.287 -0.029 50 20 JBGD COCCOCCOCCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cnccc1C(=O)NN)CCO2 1783667149 VLNMVQCEOHCSCH-JOCHJYFZSA-N 479.534 -0.802 50 20 JBGD COC(=O)[C@@H]1CC=CC[C@H]1C(=O)N1CC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1783850577 GNASBTLLYQNCTB-PWHSHALESA-N 456.304 -0.435 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(=O)c3cccnc3)[C@H]2C1 1785168672 BRRQEPOKQPCRET-SNRMKQJTSA-N 481.513 -0.897 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccn(C(F)F)c1=O)C2)c1ccc(B(O)O)cc1 1795734092 BTPNYSDGIXZNOF-XOIINTDNSA-N 461.230 -0.560 50 20 JBGD COc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C(C)=N/NC(=O)c2ccc[nH]2)n(C)n1 1796441232 MQKJDMGACYDCGL-GBQKICQVSA-N 457.491 -0.234 50 20 JBGD O=C(NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807363536 MGSKFDQMWSJRDK-DENIHFKCSA-N 473.103 -0.925 50 20 JBGD O=C(COc1cccnn1)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1813389670 TXSBTIBZLPLJRT-PGRDOPGGSA-N 461.287 -0.050 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(=O)n3[nH]cnc3n2)n[nH]1 1817468215 FASRLXPLACXJBU-AWEZNQCLSA-N 470.494 -0.180 50 20 JBGD O=C(N[C@H]1CCc2nc(NC(=O)c3nc4ncccn4n3)sc2C1)c1ccc(B(O)O)cc1 1818305365 CKIKBEBGUJHVDI-ZDUSSCGKSA-N 463.288 -0.200 50 20 JBGD COC[C@H](NC(C)=O)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cnccc2C(=O)NN)[nH]n1 1819611361 YGMJAKVDEHTFIM-DLBZAZTESA-N 472.506 -0.135 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CN2C(=O)C=CC2=O)CC1 1828925247 GIPQIXXJCQYCQQ-GOSISDBHSA-N 468.514 -0.157 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccnc1S)CCO2 1829800361 WVBYYZBSZGVDQQ-FQEVSTJZSA-N 451.549 -0.187 50 20 JBGD Cc1cc(CC(=O)N2CCC(N3CCC(NC(=O)c4cccc(B(O)O)c4)CC3)CC2)n[nH]1 1834801147 NOKFVBOZZDTKNU-UHFFFAOYSA-N 453.352 -0.174 50 20 JBGD CN(C)c1ccncc1C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835929210 HQKFPZFTJAOKCE-QHCPKHFHSA-N 468.319 -0.789 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c(C4CC4)c3F)C2)C1 1835935433 SRRQDFCOUWYXRX-QFIPXVFZSA-N 472.282 -0.510 50 20 JBGD CC(=O)Nc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)cc1O 1835939217 HUZAFMYQTPVKKZ-XMMPIXPASA-N 497.313 -0.586 50 20 JBGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](CO)NC(=O)OC(C)(C)C)CCO2 1836473562 JHBBMEOEBJORMF-AUSJPIAWSA-N 479.958 -0.418 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc3ncccn3n1)CCO2 1836870050 IHYDLROSWGFPDZ-VUEBRRCKSA-N 494.512 -0.067 50 20 JBGD Cn1cc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)cn1 1837457877 ULODCQOYGSHSTE-QFIPXVFZSA-N 471.518 -0.879 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(-n3cncn3)c1)CCO2 1839436426 SPAPSRRTRHXXLE-DEOSSOPVSA-N 491.313 -0.669 50 20 JBGD CC(=O)Nc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)cc1O 1839472638 HOSZIULBLDORAO-DEOSSOPVSA-N 497.313 -0.586 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(S(C)(=O)=O)c3)C2)C1 1840182970 MUFVNYYQUBXCCH-QFIPXVFZSA-N 496.586 -0.467 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4ncnn4c3)C2)C1 1840184159 AGPAXVUMGWESMJ-OAQYLSRUSA-N 459.507 -0.828 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ncn(C)c3C(F)(F)F)C2)C1 1840184542 SWJDDFHPNMPKKK-LJQANCHMSA-N 490.483 -0.118 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn4cccc(F)c34)C2)C1 1840184869 DOKJJQWUFBOJSZ-JOCHJYFZSA-N 476.509 -0.084 50 20 JBGD Cc1ncc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)s1 1840398965 LXJSQPDBHSSZBN-OAQYLSRUSA-N 474.543 -0.237 50 20 JBGD CCOC(=O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1840886170 TUKUIDAQRLPANK-OAQYLSRUSA-N 456.540 -0.595 50 20 JBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NCCN3CCOC(C)(C)C3)nc2)CC1 726262747 NXKRRYGYEQMVPJ-UHFFFAOYSA-N 455.585 -0.245 50 20 JBGD CCN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)NNC(=O)[C@@H]3CCS(=O)(=O)C3)c2)CC1 728371433 IXULPMSXJZRKOQ-CYBMUJFWSA-N 493.007 -0.138 50 20 JBGD Cc1nc(S(=O)(=O)NCCC(=O)NNC(=O)c2csc(N3CCOCC3)n2)cn1C 750664023 VZIHPMVKAXCMGQ-UHFFFAOYSA-N 457.538 -0.849 50 20 JBGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2cc3c(=O)n(C)c(=O)n(C)c3n2C)c1 919687309 QBWLIDBNSHKFJJ-UHFFFAOYSA-N 490.542 -0.319 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)c3cn4cccnc4n3)CCO2)C1 1779032598 VMVOVIJOAMNUBE-NRFANRHFSA-N 450.459 -0.515 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@@]34C(=O)Nc3ccccc34)C2)C1 1783543167 KWHLICIZNITPAR-LQGLAIQGSA-N 475.310 -0.280 50 20 JBGD CC(C)(C)OC(=O)NC(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795737678 JALDUSQPDYGYBI-ALXJQNPVSA-N 475.351 -0.127 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CC(c3ccccc3)=NO1)C2)c1cccc(B(O)O)c1 1795737803 VDTUOJPMUFJXFK-GMQQQROESA-N 463.299 -0.237 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)n1cnnn1)C2 1798523234 YWFXAIIRFGMEDM-NASWQRNTSA-N 473.446 -0.029 50 20 JBGD O=C1CC[C@@H](C(=O)N2CSC[C@@H]2C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@H](O)CCl)C3)N1 1801443590 ACPNFNXXJVCUON-PMKSJIGOSA-N 458.968 -0.596 50 20 JBGD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1cc3n(n1)CCCNC3=O)CC2)c1cccc(B(O)O)c1 1815356954 WNYHKSPWONXQSM-AWEZNQCLSA-N 494.342 -0.308 50 20 JBGD COC[C@@H](NC(C)=O)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1820187321 XZMGOTATVXBSDR-GOEBONIOSA-N 460.321 -0.800 50 20 JBGD Cn1c(=O)c2c(ncn2CC(=O)N2CCC([C@H]3CCCCN3C(=O)[C@H](O)CCl)CC2)n(C)c1=O 1824179371 RCELQKDVMDFMOB-HZPDHXFCSA-N 494.980 -0.347 50 20 JBGD Nc1nc(C(=O)NC2CCN(C3CCN(C(=O)c4ccc(B(O)O)cc4)CC3)CC2)cs1 1834749660 ZYOGCTZQRYZXBT-UHFFFAOYSA-N 457.365 -0.096 50 20 JBGD CO[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1)c1ccccc1 1835929177 FLZOMNSIJHPDFX-QPPBQGQZSA-N 468.315 -0.176 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCc4ccccc4[C@@H]3O)C2)C1 1835934037 KWQHHPBYXMASSG-JCYRPKCISA-N 494.353 -0.268 50 20 JBGD COc1ccc(OCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)cc1 1837456073 HYGVYFDWNYHAOH-XMMPIXPASA-N 499.524 -0.157 50 20 JBGD O=C(CCN1C(=O)C=CC1=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839198429 DDLBXSYSRSTNFH-NVXWUHKLSA-N 462.272 -0.552 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc3c1NC(=O)C3)CCO2 1839573597 PGZIXJWUQBALOG-DEOSSOPVSA-N 494.508 -0.437 50 20 JBGD COC[C@H](NC(C)=O)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)Br)CCO2 1840033880 UFCNEPNYEXIUIM-IFIJOSMWSA-N 450.330 -0.623 50 20 JBGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nccnc3C(N)=O)C2)C1 1840034581 QGNMEJURAGZNPE-GTNSWQLSSA-N 456.297 -0.571 50 20 JBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 729276086 WSYIHAZRXLXCSA-VXGBXAGGSA-N 450.514 -0.689 50 20 JBGD CC(C)Cn1cnc2c1c(=O)n(CC(=O)NNC(=O)CCn1cncn1)c(=O)n2Cc1ccccc1 818032284 ZTMWWPAPFGGIPJ-UHFFFAOYSA-N 493.528 -0.107 50 20 JBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1CCS(=O)(=O)CC1)C2)[C@@H](F)Br 1780771071 RTUQFBAGRMATML-FRFSOERESA-N 484.388 -0.079 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CN2C(=O)C=CC2=O)C1 1782313668 VFVQDZVJRYDXES-WBJRCKAQSA-N 484.513 -0.441 50 20 JBGD O=C1Cc2cc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)c5cccc(B(O)O)c5)[C@H]4C3)ccc2N1 1786983868 CFUYMMCDYLJIMU-LRQRDZAKSA-N 463.299 -0.232 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3(O)CCCCC3)C[C@@H]21 1788611186 OLGCOFFPURLAMM-VDGAXYAQSA-N 469.542 -0.023 50 20 JBGD CC(=O)N[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1)C(C)(C)C 1791287936 FBQWLDFQNDLUJT-OGNFBWPZSA-N 453.584 -0.110 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnn3cccc(F)c13)C2)c1ccc(B(O)O)cc1 1795735981 MPUNNYRWVBMPPD-CCWDJLKJSA-N 452.251 -0.330 50 20 JBGD COC(=O)[C@H]1CC[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)C1 1797748492 FJYBRTVPRIIQAL-IBTNMTNLSA-N 459.503 -0.522 50 20 JBGD O=C(NC[C@@H]1CCN(C(=O)c2cc(C(=O)O)ncn2)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807360314 AFNAZBDNSGJGCE-OXJNMPFZSA-N 475.270 -0.117 50 20 JBGD CN(C)NC(=O)CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H](O)N2CCOCC2)[nH]n1 1822415350 YUEHFEMMAGUGCK-DNVCBOLYSA-N 451.528 -0.575 50 20 JBGD C[Si](C)(C)OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(=O)n3[nH]cnc3n1)CCO2 1835924513 RXKBJYABQYGSFT-LJQANCHMSA-N 464.555 -0.661 50 20 JBGD O=C(c1cc(O)c(O)c(Cl)c1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835931860 DYWJGWCAUGTXPA-QFIPXVFZSA-N 490.705 -0.185 50 20 JBGD CC(C)(C)OC(=O)CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835934267 RZRJZSVAUWMPNV-DEOSSOPVSA-N 490.362 -0.052 50 20 JBGD Cc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)cn1 1835935211 HMVDTZROXGHNLA-HSZRJFAPSA-N 453.304 -0.617 50 20 JBGD COC(=O)c1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)cc1 1835940033 UFOPVIMTGVORJQ-VWLOTQADSA-N 496.325 -0.534 50 20 JBGD Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)n(-c2cccc(=O)n2C)n1 1836259145 CYPKDSLBADMJDE-HTAPYJJXSA-N 493.948 -0.451 50 20 JBGD CC(=O)OC[C@H](OC(C)=O)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839200809 QJAGCIIDIOVHBZ-GRDNDAEWSA-N 483.287 -0.372 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)c1cc3cccnn3c1)CCO2 1839560175 ASSIBSHASKBYET-QHCPKHFHSA-N 464.287 -0.602 50 20 JBGD Cc1cnn([C@H](C)C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)c1 1840403399 DTJRPEVVRCACGS-VGOFRKELSA-N 456.308 -0.797 50 20 JBGD COc1ccccc1C(=O)N1CC(C(=O)N2CC3(CCCN3C(=O)c3ccc(B(O)O)cc3)C2)C1 1843010296 AEFBRXGOMJVSBP-UHFFFAOYSA-N 477.326 -0.036 50 20 JBGD O=C(CNC(=O)c1ccco1)NNC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O 751202539 FWHJRCAMOBDJEK-ZDUSSCGKSA-N 476.467 -0.206 50 20 JBGD CCn1cnc2c1c(=O)n(CC(=O)NNC(=O)c1cc(C)[nH]n1)c(=O)n2Cc1ccccc1 918017479 YTUGBCDTATWJLD-UHFFFAOYSA-N 450.459 -0.079 50 20 JBGD COc1cc2c(cc1OC)[C@H](CC(=O)NNC(=O)c1n[nH]c(O)n1)N(S(C)(=O)=O)CC2 918319067 IGCGPTNIBPHTQI-NSHDSACASA-N 454.465 -0.762 50 20 JBGD CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](F)Br)C2)C1 1781334662 NSRTUUFNEBQQCL-KEYYUXOJSA-N 460.304 -0.023 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnn4c3CCC4)C[C@@H]21 1788609998 UVDJNWWWELSKID-IXDGSTSKSA-N 453.503 -0.265 50 20 JBGD CN1CCCn2nc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)c5cnccc5C(=O)NN)[C@H]4C3)cc2C1 1788610024 WKAOBBDFBFJUMY-ZRCAFCQKSA-N 496.572 -0.376 50 20 JBGD COc1ncc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)cc1C 1794984072 LFLUCNKONNXNLM-JLVBRIDZSA-N 454.487 -0.086 50 20 JBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(S(C)(=O)=O)cc1 1795416080 XCRTWENFSHCXEH-FAQVEIGNSA-N 480.587 -0.405 50 20 JBGD CC(C)OC(=O)c1ncccc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795732448 GTNGTWJPZBXAOC-XEMDLRDOSA-N 481.314 -0.156 50 20 JBGD CN(C)c1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)c1 1798537995 OYDOQQZAQFJFCJ-VPTLXERWSA-N 482.302 -0.142 50 20 JBGD CN(CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c[nH]c(=O)cn1)C2)NC(=O)NCc1ccccc1 1799097557 PALDATNAWDDMLW-UPHUGPLXSA-N 483.529 -0.681 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(C(N)=O)cc1 1801655373 JPSDHKOWAMBXIC-JLVBRIDZSA-N 452.471 -0.699 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)c2nccnc2C(N)=O)[C@H]1c1cccnc1 1813073169 JOGSVPDMABLCRK-QRWLVFNGSA-N 468.518 -0.337 50 20 JBGD NC(=O)c1ncccc1C(=O)N[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815336886 HTQZKLZKHXFEGW-CYBMUJFWSA-N 465.300 -0.144 50 20 JBGD COC[C@@H](NC(C)=O)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cnccc3C(=O)NN)sc2C1 1819798046 RWRJVSJVIFRSEW-IAQYHMDHSA-N 475.531 -0.482 50 20 JBGD Cc1cc(C(=O)NCC(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2cccc(B(O)O)c2)CC3)no1 1819931940 PUDMNWIAPNZUJP-CQSZACIVSA-N 483.315 -0.225 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](N)CCC(N)=O)CC1 1826821636 CNTDRNJMONBODB-ROUUACIJSA-N 459.551 -0.489 50 20 JBGD CN1CCN(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1828441701 DAWAUVCWRCKAJN-QFIPXVFZSA-N 456.396 -0.153 50 20 JBGD Cn1nc(C(=O)NC2CCN(C3CCN(C(=O)c4cnccc4C(=O)NN)CC3)CC2)cc1O 1833945030 FPCIBXBBUDZJHX-UHFFFAOYSA-N 470.534 -0.377 50 20 JBGD CN(CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccnn1C)CCO2)NC(=O)NCc1ccccc1 1834235328 APLHOHFBXXLIOV-DEOSSOPVSA-N 499.572 -0.164 50 20 JBGD COC[C@@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)CNCP(=O)(O)O)CC2)CC1 1834665746 VWABBGNQXBKQFW-OAHLLOKOSA-N 454.892 -0.463 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)CN3CCSCC3)CC2)CC1)c1ccc(B(O)O)cc1 1834797984 LKGMXOSKVDTFCV-UHFFFAOYSA-N 474.436 -0.400 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC1CCN(C2CCN(C(=O)CN3CCSCC3)CC2)CC1 1835734727 RBOOMINOLVQKOD-UHFFFAOYSA-N 489.646 -0.081 50 20 JBGD COc1cnc(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)c(F)c1 1835927609 VCPOVVZFMONCIN-QFIPXVFZSA-N 473.266 -0.707 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)c3ccnn3-c3ccccc3)C2)C1 1835937057 MPJGSEZVZQIWMM-RUZDIDTESA-N 490.325 -0.064 50 20 JBGD O=C(Cc1ccc(F)cn1)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1836032450 PORCVBWEHAROKT-QFIPXVFZSA-N 457.267 -0.787 50 20 JBGD CC(=O)NC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1836877556 TVRGNEMSDYQDEG-UHFFFAOYSA-N 459.352 -0.107 50 20 JBGD C[C@H](NC(=O)c1cnccn1)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)Br)C2)C1 1837610016 FVQZHESAGBGZIB-TYILLQQXSA-N 484.351 -0.165 50 20 JBGD CCS(=O)(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1 1837710355 XFHXLJVVBNRHCB-CRAIPNDOSA-N 465.645 -0.378 50 20 JBGD CN(C)c1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)cn1 1838195809 RMZMFRVHXLJULM-QHCPKHFHSA-N 483.529 -0.470 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)c1cc(Cl)cc3nn[nH]c13)CCO2 1838618336 LZBCHKGVDQUAJD-QFIPXVFZSA-N 499.720 -0.325 50 20 JBGD CC[C@@H](NC)C(=O)N1CCOC[C@@]2(CN(C(=O)CN(C)NC(=O)NCc3ccccc3)CCO2)C1 1839054373 WAPUSXKQBGMHRP-HYBUGGRVSA-N 490.605 -0.213 50 20 JBGD Cc1cc(C(=O)NCC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](F)Br)CCO3)no1 1839200837 QNLWKSBGVNEGAS-YOEHRIQHSA-N 477.287 -0.140 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cn4c(F)cccc4n3)CCO2)C1 1839555384 LZQZRXUESMQIHN-QHCPKHFHSA-N 497.487 -0.144 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)Cc1ccccc1)CCO2 1839957877 KFQFPWHCBJTMOS-ZJSXRUAMSA-N 468.315 -0.960 50 20 JBGD C[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)C(F)(F)F)C2)C1 1840036719 QJYAXBACQKBTPO-QMTHXVAHSA-N 460.247 -0.095 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1CCSCC1)CCO2 1840925489 YDHBKYQNJWTVMC-NRFANRHFSA-N 463.560 -0.102 50 20 JBGD O=C(NNC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)N1CCCC1 748240296 FBIDUSMLAQBZAR-OAHLLOKOSA-N 453.477 -0.092 50 20 JBGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)NCCn1ccnc1 915905646 ZGBQMZILMIMVDS-UHFFFAOYSA-N 450.521 -0.133 50 20 JBGD CN(C)N(C(=O)CCSCCC(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C)[C@H]1CCS(=O)(=O)C1 1344429429 IGXHKHQRQPMQJI-IYBDPMFKSA-N 498.693 -0.516 50 20 JBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2)c1cc2n(n1)CCC2 1779121410 IDXDDMAYWMNNEO-NFBKMPQASA-N 452.320 -0.050 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)C2)C1 1781938003 WWZQZFRBSOHXOG-NRFANRHFSA-N 455.232 -0.263 50 20 JBGD CC(=O)N[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN(C)NC(=O)NCc3ccccc3)[C@H]2C1 1789726629 GZAFFFZWMFXYGW-SEVLPDGMSA-N 488.589 -0.163 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnn2cccc(F)c12 1800122242 GVBMVQGNXOPNSD-IVWMJMPLSA-N 467.461 -0.011 50 20 JBGD CC[C@@H](NC(C)=O)C(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1802879490 GJRHQUNOUBMSAM-TYPHKJRUSA-N 452.320 -0.004 50 20 JBGD CC(C)(C)OC(=O)N[C@H](O)C(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1811507052 LYZWWLWHTQDDNQ-YFVAEKQCSA-N 498.345 -0.076 50 20 JBGD CC(=O)N1CCN(CC(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc(B(O)O)c3)CC2)CC1 1827059403 OVGGOXVRYCDZPZ-HSZRJFAPSA-N 484.406 -0.236 50 20 JBGD CC[C@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN(C)NC(=O)NCc3ccccc3)C2)C1 1830524605 GKLRJFTYUHBHBO-WMZHIEFXSA-N 477.562 -0.440 50 20 JBGD COC(OC)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN(C)NC(=O)NCc3ccccc3)C2)C1 1831038812 UUQVAXGDGUVRSD-HSZRJFAPSA-N 493.561 -0.592 50 20 JBGD Cc1nc(C(=O)NC2CCN(C3CCN(C(=O)CCC(=O)NN(C)C)CC3)CC2)c(=O)[nH]c1C 1833940275 RHADFQQUBWTRCV-UHFFFAOYSA-N 475.594 -0.055 50 20 JBGD Cn1ccc(C(=O)NC2CCN(C3CCN(C(=O)c4cnccc4C(=O)NN)CC3)CC2)n1 1834217086 CXTLUWFTCSDYNO-UHFFFAOYSA-N 454.535 -0.082 50 20 JBGD Cc1nc(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)ccc1F 1835927538 RQDZXSQFVWTGTO-QFIPXVFZSA-N 457.267 -0.407 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c(C4CC4)c3F)C2)C1 1835929182 FMEDRTJDGWTCKR-QFIPXVFZSA-N 472.282 -0.510 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)c3cnn4cccc(F)c34)C2)C1 1835932238 VPOASAZBBOXGHZ-HSZRJFAPSA-N 482.277 -0.463 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)c3nc(Cl)ccc3F)C2)C1 1835934999 BQFZWXAVQBVCEC-NRFANRHFSA-N 477.685 -0.062 50 20 JBGD NC(=O)[C@@H](N)CCC(=O)N1CCC(N2CCC(NC(=O)[C@H](F)Br)CC2)CC1 1836412777 UNYIYGZSGJERII-ZFWWWQNUSA-N 450.353 -0.159 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3COc4ccccc4O3)C2)C1 1837455647 BQMYUTCJEHQKNJ-RDPSFJRHSA-N 497.508 -0.405 50 20 JBGD C[C@H](Nc1ccccn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1837741329 OBOUTZZCIINHCU-SBUREZEXSA-N 468.319 -0.668 50 20 JBGD O=C([C@H](F)Br)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCCS1(=O)=O)CCO2 1839784736 TZDXWPMKNDCCCE-TYNCELHUSA-N 457.318 -0.290 50 20 JBGD COCCOCCOCCOCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1 1840082366 QBXOUDFEMZOPLK-IEBWSBKVSA-N 470.922 -0.327 50 20 JBGD CCOc1ncccc1C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840183374 ZUNOMUSWEIXRPR-JOCHJYFZSA-N 463.535 -0.077 50 20 JBGD Cc1cc(C)n(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)n1 1840346897 WBFRAISFSIHMGM-QHCPKHFHSA-N 485.545 -0.341 50 20 JBGD COc1ccc(F)c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)c1 1840685326 YAVJSTPEDXVPLS-QHCPKHFHSA-N 472.278 -0.102 50 20 JBGD Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)OCC(=O)NNC(=O)c1cccs1 18392844 AERSZEOSLLFOKR-UHFFFAOYSA-N 456.502 -0.275 50 20 JBGD Cn1nc(Br)c2c(=O)n(CC(=O)NNC(=O)CNC(=O)c3ccco3)cnc21 727089959 DHTGAFPOEBIXCF-UHFFFAOYSA-N 452.225 -0.937 50 20 JBGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)NC[C@@H]1CN2CCC[C@H]2CO1 729617794 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CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C(F)(F)F)nn3C)C2)C1 1840185568 PEVJBMZEYYTHKS-IBGZPJMESA-N 490.483 -0.118 50 20 JBGD COc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)ccc1F 1840682205 YZGQPQHGCIUCQL-QHCPKHFHSA-N 472.278 -0.102 50 20 JBGD N#Cc1ccc2[nH]nc(C(=O)N3CC[C@]4(CN(C(=O)c5cccc(B(O)O)c5)CCO4)C3)c2c1 1782195590 GTANNXGEVCQHDO-HSZRJFAPSA-N 459.271 -0.128 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NNC(=O)C3)C[C@@H]21 1785076604 YSCDGKYOYKIRPL-JURCDPSOSA-N 471.942 -0.026 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)[C@H]1C[C@@]12C(=O)Nc1ccccc12 1791037594 AUSCMVOZWPCEIS-UUGAXHFOSA-N 489.337 -0.130 50 20 JBGD Cc1cn2c(=O)c(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)CCC(=O)NN(C)C)C4)cnc2s1 1797065229 JSJLBQPWSMJWDE-ZSBFGKGUSA-N 476.559 -0.359 50 20 JBGD COC(=O)[C@@H]1CCC[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)C1 1797754193 NLMZXCMFZUFQDH-GMKVZWAMSA-N 473.530 -0.132 50 20 JBGD CN(CC(=O)NC[C@H]1CCN(C(=O)C(O)O)[C@@H]1c1cccnc1)NC(=O)NCc1ccccc1 1807455135 XDOJHUXVPJKGSA-UYAOXDASSA-N 470.530 -0.256 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=N)N)C2)C1 1832549479 RBDPCNXHWMZYQV-ORAYPTAESA-N 476.962 -0.942 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CNc3ccccc31)CCO2 1835716533 YAVRNFPGPXBBAS-GBXCKJPGSA-N 465.315 -0.354 50 20 JBGD Cc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)c(C)n1C 1835938229 RGCFCHAXSOZKJT-HSZRJFAPSA-N 455.320 -0.294 50 20 JBGD COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)cc1F 1835940154 XBSHURRTCGQYIC-DEOSSOPVSA-N 486.305 -0.173 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCc1cnn(C)c1)CCO2 1835991537 ZUNNQYSFNCLGAU-NRFANRHFSA-N 450.540 -0.818 50 20 JBGD Cc1nc2ncccn2c1C(=O)N1CCOC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837458768 BBLLGHVVGOKVOL-QHCPKHFHSA-N 494.512 -0.580 50 20 JBGD CCN(CC)C[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1839677669 HTRCRHNHEODRTN-UZUQRXQVSA-N 476.578 -0.267 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCNC(=O)C1)CCO2 1840230058 XPNVCGLAMBPJLS-RTHMJFCDSA-N 474.518 -0.897 50 20 JBGD CN(CC(=O)N1CC2(CCCN2C(=O)CS(C)(=O)=O)C1)NC(=O)NCc1ccccc1 1842779445 JVJHVJSHXUYQLF-UHFFFAOYSA-N 451.549 -0.419 50 20 JBGD Cn1c(=O)c2c(CC(=O)N3CCCC34CN(C(=O)[C@@H](O)CCl)C4)csc2n(C)c1=O 1845013488 BDXNTZDWZZVVLZ-LBPRGKRZSA-N 454.936 -0.356 50 20 JBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NCc3nnnn3-c3ccccc3)nc2)CC1 730673637 ZRRGVNBRMUMPIS-UHFFFAOYSA-N 472.535 -0.180 50 20 JBGD COC(=O)c1c[nH]nc1S(=O)(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 912522894 XEOSTXIVWNEGND-UHFFFAOYSA-N 457.490 -0.396 50 20 JBGD C[C@H](CN1CCOCC1)C(=O)NNC(=S)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 916117762 MBMSKCNGQFAOBV-OAHLLOKOSA-N 471.605 -0.007 50 20 JBGD O=C(OCCO)c1ccccc1C(=O)N1CC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1780156690 SUGKNHWAJFSHOP-DEOSSOPVSA-N 482.298 -0.727 50 20 JBGD O=C(COc1cccnn1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2 1782519097 SQAAFVBQRNQCEO-XMSQKQJNSA-N 454.292 -0.637 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)c3nc4ccc(F)cn4n3)C2)C1 1782568245 QXHUATPNXGDKQZ-OAQYLSRUSA-N 453.239 -0.695 50 20 JBGD CC[C@@H](Br)C(=O)N1CC[C@]2(CN(C(=O)c3cc(=O)n4[nH]nnc4n3)CCO2)C1 1783343708 WICQHWHJUWEXMV-QLJPJBMISA-N 454.285 -0.570 50 20 JBGD COC[C@@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)[C@H]3CSCN3C(=O)[C@@H]3CCC(=O)N3)CCO2)C1 1783880162 CHFMPXVRMSIEBI-ODCFSMADSA-N 488.994 -0.750 50 20 JBGD CC(C)(C)OC(=O)N1CC(F)(C(=O)N2CC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)C1 1785683765 HYKALYLWLLOEEJ-QFIPXVFZSA-N 491.325 -0.231 50 20 JBGD C[C@@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(=O)n4[nH]cnc4n3)[C@H]2C1 1786978396 VWIUHRIUDIBIRX-BLFANLJRSA-N 453.297 -0.206 50 20 JBGD N#Cc1ccccc1OCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786981900 FUXLBWIXAUHTPY-VCOUNFBDSA-N 463.299 -0.090 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](F)Br)C[C@@H]21)c1cc(=O)n2[nH]nnc2n1 1787270922 ZEWISOULQXBEDA-PRLGWJNPSA-N 458.248 -0.904 50 20 JBGD CCOC(=O)[C@@H]1CCC[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)C1 1792955961 IXAZNWPQQYMOPL-GSFBZFRISA-N 472.347 -0.061 50 20 JBGD CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2 1795894160 OSGAJQURTWRELK-KARBZBNUSA-N 461.943 -0.454 50 20 JBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCNC(=O)c1ccc[nH]1)C2 1797749851 YVZIIENZNPEQPA-HBCWATKFSA-N 469.502 -0.964 50 20 JBGD CC(C)(C)OC(=O)NC1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)CC1 1802226402 HWENUUTVLNPKSU-XOIINTDNSA-N 488.545 -0.054 50 20 JBGD CC(=O)N(C)[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807365212 XBUXCYAULWMABH-QFIXIFRTSA-N 452.320 -0.052 50 20 JBGD C[C@@H](C(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1)N1CCN(C)CC1 1807894210 ZLODILOEBRNUQZ-HARLFGEKSA-N 479.390 -0.283 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1CCN(C(=O)C[C@H]2NC(=O)NC2=O)[C@@H]1c1cccnc1 1808408179 HCBFVDPPYOKVTF-IYHLIXCQSA-N 494.512 -0.181 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCC2(CCCN(C(=O)c3cc(=O)n4[nH]cnc4n3)C2)CC1 1809966845 DGTWGDJNHFAMEQ-UHFFFAOYSA-N 458.523 -0.365 50 20 JBGD CNC(=S)NCCC(=O)N1CC[C@@H](CNC(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1810302641 MACVFLJZOAYCBO-HNAYVOBHSA-N 484.586 -0.116 50 20 JBGD O=C(CS(=O)(=O)N1CCCC1)N[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815340673 NPHWFWAFJYLMIZ-OAHLLOKOSA-N 492.388 -0.526 50 20 JBGD CCS(=O)(=O)N[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1 1817470254 NFDSJFUYPGACOZ-SUMWQHHRSA-N 477.352 -0.277 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)CN2C(=O)C=CC2=O)CC1 1828925248 GIPQIXXJCQYCQQ-SFHVURJKSA-N 468.514 -0.157 50 20 JBGD O=C1CN(c2cccc(C(=O)N3CCO[C@@]4(COCCN(C(=O)[C@@H](O)CCl)C4)C3)n2)CCCN1 1833724016 CNGVCZOZZHETJU-JTSKRJEESA-N 495.964 -0.922 50 20 JBGD C[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)CCN3CCN(C)CC3)CCO2)C1 1835404681 KBSBJWMISBRYOU-LPHOPBHVSA-N 461.401 -0.136 50 20 JBGD CC(=O)OC[C@@H](OC(C)=O)C(=O)NC1CCN(C2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1 1835755007 WJRQISKKRSYLAE-HXUWFJFHSA-N 497.593 -0.574 50 20 JBGD C[C@@H](Cc1ccncc1)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835939086 DXDMKFXAVALIRX-UUOWRZLLSA-N 467.331 -0.290 50 20 JBGD CN1CCN(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](F)Br)C3)C2)CC1 1836675916 MZBITMSUDCIGLY-DOTOQJQBSA-N 451.337 -0.619 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C(=O)c3ccco3)C2)C1 1837456356 KZRDVENBRYGRNA-NRFANRHFSA-N 457.443 -0.769 50 20 JBGD CC[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837460302 AEHDYOCKNKRJIC-BEFAXECRSA-N 484.351 -0.071 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn4c3OCCC4)C2)C1 1840185069 HETMMYBQLRZANH-NRFANRHFSA-N 464.523 -0.891 50 20 JBGD C[C@H](NC(=O)c1ccccn1)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840185503 SMUNWTCPOQJOKO-GAJHUEQPSA-N 490.561 -0.971 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(C(=O)N(C)C)c3)C2)C1 1840187384 WQHBTZJPBGTNSX-XMMPIXPASA-N 489.573 -0.169 50 20 JBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2)c1nn[nH]c1C(F)(F)F 1780194007 KOVAHYLKDWRADB-AUUYWEPGSA-N 481.240 -0.055 50 20 JBGD C=CC(=O)N[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)CN(C)NC(=O)NCc3ccccc3)C2)C1 1780967895 BJHRHPXVXYAHRT-UUOWRZLLSA-N 486.573 -0.147 50 20 JBGD C[C@H]1Oc2ccc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)c5cccc(B(O)O)c5)[C@H]4C3)cc2NC1=O 1786984856 RDBVOGZMYFSLLR-YZHKUDHRSA-N 493.325 -0.007 50 20 JBGD CCS(=O)(=O)CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C(C)=N/NC(=O)c3ccc[nH]3)[C@H]2C1 1787506674 KTWUAHBLGMPHQY-YFRLFMDHSA-N 467.548 -0.465 50 20 JBGD Cc1nc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cnccc4C(=O)NN)[C@H]3C2)c(=O)[nH]c1C 1788611702 SGPXPPPTXKJTSR-JQFCIGGWSA-N 469.502 -0.708 50 20 JBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cncc(S(C)(=O)=O)c1 1794319684 DWGNCJXKEYFVJT-CCWDJLKJSA-N 467.548 -0.939 50 20 JBGD COc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)c(C#N)c1 1799237444 JLEUZJDJLFJIKL-BBIADKPPSA-N 463.299 -0.307 50 20 JBGD CC(=O)NC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807361708 XASDTDPECCSUOB-ICSRJNTNSA-N 452.320 -0.004 50 20 JBGD NC(=O)c1nccnc1C(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1811184098 FBUBCHPJSBAOIY-OXQOHEQNSA-N 474.286 -0.716 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CNc3ccccc31)CCO2 1835715311 NEVYHBFKSOJYDO-CYFREDJKSA-N 480.525 -0.036 50 20 JBGD N[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1)c1cccc(Cl)c1 1835928066 CQFUCNRCUIAAOC-NZQKXSOJSA-N 487.749 -0.210 50 20 JBGD O=C(CSc1ccncc1)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835935644 WYKPADHKNWNSTM-QFIPXVFZSA-N 471.344 -0.376 50 20 JBGD CC(=O)N1CCN(CC(=O)N2CCC(OC3CCN(C(=O)[C@@H](O)CCl)CC3)CC2)CC1 1836717126 JRMXSFSYKORMHL-IBGZPJMESA-N 458.987 -0.251 50 20 JBGD O=C(C[C@H]1CNc2ccccc2O1)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1837351644 UATLVUVDIQRMEK-NBGIEHNGSA-N 495.341 -0.300 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccn4ccnc34)C2)C1 1837459479 RHXBSPOJHQFMRX-HSZRJFAPSA-N 479.497 -0.283 50 20 JBGD C[Si](C)(C)OCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4n(n3)CCNC4=O)C2)C1 1837711922 AFTVXUYGZNETCO-FQEVSTJZSA-N 465.583 -0.452 50 20 JBGD Cc1cn(CC(=O)N2CCC(OC3CCN(C(=O)c4ccc(B(O)O)cc4)CC3)CC2)c(=O)nc1O 1837921005 RCDIQUIRQOCGIZ-UHFFFAOYSA-N 498.345 -0.750 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)c1cnc(Cl)s1)CCO2 1838156177 GGXJWCYVBYCFDN-IBGZPJMESA-N 465.724 -0.140 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@@]2(COCCN(C(=O)COCCO)C2)C1 1838528127 GLQMQXFREKBOIA-OAQYLSRUSA-N 481.458 -0.401 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cc(Cl)cn3)C2)C1 1840183888 GZIJAEASJNXHKV-IBGZPJMESA-N 456.931 -0.634 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(O)c(F)c3)C2)C1 1840185168 MKHNSWNVIZVAHI-OAQYLSRUSA-N 452.483 -0.026 50 20 JBGD CC(C)(C)OC(=O)N1CCOC[C@H]1C(=O)N1CCCC12CN(C(=O)c1ccc(B(O)O)cc1)C2 1843346967 RYFBQMJKGFQVJO-SFHVURJKSA-N 473.335 -0.181 50 20 JBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=S)NCc2ccc(S(N)(=O)=O)cc2)c1 726437454 GPKMBCUKVPFHPU-UHFFFAOYSA-N 471.586 -0.107 50 20 JBGD O=C(CCCCCNS(=O)(=O)c1ccc2c(c1)OCCO2)NNC(=O)[C@@H]1CCS(=O)(=O)C1 788022790 HVZSPQPETCXWRZ-CQSZACIVSA-N 489.572 -0.121 50 20 JBGD COC(=O)c1c[nH]nc1S(=O)(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 912522892 WYQDEGYQXDHUKP-UHFFFAOYSA-N 457.490 -0.396 50 20 JBGD CC(C)(CNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)N1CCOCC1 915894224 IQOCOMVJWDGDNL-UHFFFAOYSA-N 469.564 -0.238 50 20 JBGD O=C(OCCO)c1ccccc1C(=O)N1CC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1780156605 PFNORDDGGLPYBE-XMMPIXPASA-N 482.298 -0.727 50 20 JBGD CN(CC(=O)N1CCO[C@@]2(CCN(C(=O)CSCC(=O)O)C2)C1)NC(=O)NCc1ccccc1 1783959210 SFDTXRMLVJIWQP-JOCHJYFZSA-N 493.586 -0.020 50 20 JBGD Cc1cc2nnc(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]43)c(C)n2n1 1787911338 OVKMUXLRMKEDCQ-ULQDDVLXSA-N 472.550 -0.293 50 20 JBGD COC(=O)c1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)cc1 1791415427 VAFDZFYOCKOAJP-BVSLBCMMSA-N 480.326 -0.011 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1CCN(C(=O)[C@H]2CCCS2(=O)=O)[C@@H]1c1cccnc1 1810305238 JPCAAAAQRPEROR-KFKAGJAMSA-N 486.554 -0.023 50 20 JBGD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1cnncc1C(=O)O)CC2)c1cccc(B(O)O)c1 1815361077 WEWPPOCWMKSDBA-LBPRGKRZSA-N 467.272 -0.149 50 20 JBGD C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1830300326 QVKPDVJZIDCNHH-HJPURHCSSA-N 491.350 -0.650 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C(F)(F)C(F)(F)C(=O)O)CCO2 1832251752 MERIQMASTDQAFJ-INIZCTEOSA-N 486.419 -0.829 50 20 JBGD O=C(CCc1cc(F)ccn1)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1832847493 HURZRNSQOUMXKI-HSZRJFAPSA-N 471.294 -0.397 50 20 JBGD O=C(COC(=O)C(F)(F)F)NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1835687245 HCQFDZVOTLJTBV-UHFFFAOYSA-N 485.268 -0.343 50 20 JBGD Cc1c(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)nc2ccccn12 1835928679 UXYIFUFBGIYNEV-XMMPIXPASA-N 478.314 -0.294 50 20 JBGD CN(C)c1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)cc1 1835931022 CSBQCEVCUHMODF-DEOSSOPVSA-N 467.331 -0.184 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)c3ccc(F)nc3F)C2)C1 1835934126 LUCPEFKDJVMCRL-NRFANRHFSA-N 461.230 -0.577 50 20 JBGD Cc1cc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)ccn1 1835935645 WYYOIDSPQDCBMP-DEOSSOPVSA-N 467.331 -0.227 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)c3cc4cn[nH]c4cn3)C2)C1 1835937948 CAJLBPNEUUNXOU-QFIPXVFZSA-N 465.275 -0.979 50 20 JBGD COc1ccc(F)cc1CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835939762 GQVHZATYSAZFES-XMMPIXPASA-N 486.305 -0.173 50 20 JBGD COc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)cn1 1837456219 KVBGNEULLVNCAD-JOCHJYFZSA-N 470.486 -0.528 50 20 JBGD CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1 1837499751 QTFRKWUHSXYYOP-XLIONFOSSA-N 474.583 -0.211 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cn(C)nc1C(F)(F)F)CCO2 1837963289 SLGOLBWSTBFVMN-IBGZPJMESA-N 490.483 -0.118 50 20 JBGD CC(=O)N1CCN(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@](C)(Cl)CCl)CCO3)CC1 1839152628 GMVYNDRLQHYHRR-VQTJNVASSA-N 479.405 -0.157 50 20 JBGD Cc1cc(C)n(CC(=O)N2CCOC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)n1 1840182757 SWBHSJQEUBRSHI-OAQYLSRUSA-N 450.540 -0.671 50 20 JBGD C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1)c1ccccn1 1840501514 KEQQTLOKVJLNQN-UZUQRXQVSA-N 453.304 -0.365 50 20 JBGD CC(C)(C)OC(=O)N1C[C@H](C(=O)N2CCCC23CN(C(=O)c2cnccc2C(=O)NN)C3)[C@@H](O)C1 1845106661 BHXLOJQSRYFFOC-IRXDYDNUSA-N 488.545 -0.270 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC2(CCCN2C(=O)[C@@H]2C[C@@H](O)CN2C(=O)OC(C)(C)C)C1 1846217795 ORVALQLECQRVTB-CVEARBPZSA-N 467.567 -0.067 50 20 JBGD C[C@H]1CN(CCC(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)C[C@@H](C)O1 912920838 DZLSGNYPLWYKSD-IYBDPMFKSA-N 454.549 -0.032 50 20 JBGD CCn1cnc2c1c(=O)n(CC(=O)NNC(=O)c1cccc(C(N)=O)c1)c(=O)n2Cc1ccccc1 913008586 JRFPOFCVOMGFQH-UHFFFAOYSA-N 489.492 -0.012 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(=O)ccn3C)C2)C1 1780103511 QKXFSYHEGJNXPS-VCOZGABYSA-N 454.487 -0.037 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)c3cc(-n4ccnc4)ccn3)C2)C1 1780387045 OHSICSKSIMQJIE-HSZRJFAPSA-N 461.287 -0.296 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1ON=C(c3ccccc3)O1)CCO2 1783934322 DQHLRULYTUWNMQ-VXKWHMMOSA-N 459.503 -0.076 50 20 JBGD CC(C)n1nc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)cc1C(=O)O 1785715915 CQWVLKZQGJLHDY-KNBMTAEXSA-N 484.318 -0.251 50 20 JBGD O=C1CN(c2cccc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)[C@H](O)CCl)n2)CCCN1 1792976177 MUOYJRPWLMWFSN-QHHYFVSCSA-N 465.938 -0.789 50 20 JBGD CC(C)Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)n(C)n1 1795739031 RDSDWTGULGITMT-UPHUGPLXSA-N 454.336 -0.185 50 20 JBGD COc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)cc1OC 1798892091 FNFDTARMASHAMG-UPHUGPLXSA-N 454.288 -0.099 50 20 JBGD COC(=O)NCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN(C)NC(=O)NCc1ccccc1)C2 1801205125 QXTSWZMHRPBVNL-XEMDLRDOSA-N 476.534 -0.722 50 20 JBGD O=C(O)c1cc(C(=O)NC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)ncn1 1804966715 NMCGBAHNOMWAMF-JXFKEZNVSA-N 475.270 -0.117 50 20 JBGD CC[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)CN3C(=O)CNC3=O)CCO2)C1 1832333792 BSIATAQUJJBILW-SJCJKPOMSA-N 461.313 -0.832 50 20 JBGD CN(C)c1cccc(OCC(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)c1 1832527195 MANJRQBLXQGUEA-RUZDIDTESA-N 497.357 -0.419 50 20 JBGD Cc1ccc(OC(C)(C)C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)nc1 1835931289 LQLONRHWFQPYHT-RUZDIDTESA-N 497.357 -0.003 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4cccc(F)c34)C2)C1 1835931951 IUJGCGAFMMQLPB-QHCPKHFHSA-N 482.277 -0.234 50 20 JBGD Cc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)cc1O 1835931958 JBFUFUVILQSNSF-HSZRJFAPSA-N 454.288 -0.236 50 20 JBGD O=C(CCc1cccnc1)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1836178055 CPPGDJWCILCIRY-QHCPKHFHSA-N 453.304 -0.536 50 20 JBGD Cc1ncccc1C(=O)N1CCOC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837456924 PVSDYXMGPSQTDY-JOCHJYFZSA-N 454.487 -0.228 50 20 JBGD Cc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)ncc1[N+](=O)[O-] 1837457724 NOHGSSWRCHNDJQ-JOCHJYFZSA-N 499.484 -0.319 50 20 JBGD N#Cc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)cc1 1837460095 UIWRHAAIAFHNJI-HSZRJFAPSA-N 464.482 -0.059 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccnc(Cl)n1)CCO2 1837921497 DPKCYTBAJJIGIP-HXUWFJFHSA-N 460.683 -0.806 50 20 JBGD C[C@@](O)(CC(=O)O)CC(=O)N1CCC(OC2CCN(C(=O)c3cnccc3C(=O)NN)CC2)CC1 1838395481 WBZSADXJVDOSIN-QHCPKHFHSA-N 491.545 -0.087 50 20 JBGD COC(OC)C(=O)N1CCOC[C@@]2(CN(C(=O)CN(C)NC(=O)NCc3ccccc3)CCO2)C1 1839054262 PJIWPFZBEXPLEM-HSZRJFAPSA-N 493.561 -0.592 50 20 JBGD COc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)cc1N(C)C 1839116158 XTZRBZCPCVJEEN-VWLOTQADSA-N 497.357 -0.175 50 20 JBGD O=C(CNC(=O)C(F)(F)F)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1840204325 DIYRCKAHMVPUNY-ZWNOBZJWSA-N 464.210 -0.188 50 20 JBGD CCC[C@H](NC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C2)C1 1840854347 ZDSIZSDPYRQJFR-LCMJXBAISA-N 490.561 -0.118 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843012881 QCMNUNZYNSOIAG-KRWDZBQOSA-N 461.324 -0.541 50 20 JBGD CS(=O)(=O)N1CCC(C(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)CC1 14330721 JRKPNCXCDQOYIR-UHFFFAOYSA-N 458.562 -0.096 50 20 JBGD CNS(=O)(=O)c1ccc(-c2ccc(C=NNC(=O)CSc3nn(C)c(=O)n(C)c3=O)o2)cc1 812456786 RZRCOGSUSVPHOU-UHFFFAOYSA-N 492.539 -0.111 50 20 JBGD NC(=O)c1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3ccc(F)cc3)CC2)o1 917106621 YAMZETWHOOIHID-UHFFFAOYSA-N 453.452 -0.715 50 20 JBGD Cc1nc2ccccn2c1C(=O)NNC(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)CC1 918775951 GIYWQLQGUQEZRE-GASCZTMLSA-N 479.563 -0.031 50 20 JBGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)c1cc2c(=O)n(C)c(=O)n(C)c2n1C 919689633 ACUFYHYQBQDGLC-UHFFFAOYSA-N 461.504 -0.748 50 20 JBGD C[C@@H](NC=O)C(=O)N1CC[C@]2(CN(C(=O)CN(C)NC(=O)NCc3ccccc3)CCO2)C1 1781247115 FPCNRSCKWAOWMB-VGSWGCGISA-N 460.535 -0.703 50 20 JBGD CC(=O)N/C(C)=C/C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cnccc1C(=O)NN)C2 1781462129 LBJULXKADFTXMH-BESMLONZSA-N 458.519 -0.148 50 20 JBGD CS(=O)(=O)Cc1ncccc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]2C1 1784086157 GUSBUNSADBWFRE-SDNTUTLCSA-N 459.952 -0.181 50 20 JBGD C[C@H](Nc1cccnc1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786979507 RATSKKJMOWQKPW-OQRYQMPQSA-N 452.320 -0.145 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ncn(-c4ccccc4)n3)C[C@@H]21)c1cccc(B(O)O)c1 1786983564 XMJLBHYIZIKVJN-YYWHXJBOSA-N 475.314 -0.146 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1ccnc2c1OCO2 1789178644 HVROZRIROLIVRV-WBAXXEDZSA-N 453.260 -0.603 50 20 JBGD NC(=O)c1ccccc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1790127905 PSDDGRIFVNJBFR-YSSFQJQWSA-N 451.288 -0.628 50 20 JBGD Cc1ccc(C(=O)NCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)cc1 1792251730 LBVDLASUOOCRFV-BVSLBCMMSA-N 479.342 -0.302 50 20 JBGD CC(C)(C)OC(=O)N1CCC(O)(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](O)CCl)CC1 1792974786 CEUZYQJOQRJMIH-QKPAOTATSA-N 475.970 -0.062 50 20 JBGD CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)CCl 1792976756 MRSIRKMQQHBFJG-KARBZBNUSA-N 461.943 -0.454 50 20 JBGD COc1c(Cl)ccnc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1798687338 IWYJEODQKKJIIN-XOIINTDNSA-N 459.695 -0.060 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)[C@@H]1Cc2[nH]nc(C(F)(F)F)c2C1 1800321636 WQIANLDCNQSZMT-FLTUCWPJSA-N 492.263 -0.274 50 20 JBGD C[C@H](CS(C)(=O)=O)C(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1803583579 ZGMAYBLETVMWAS-XFQXTVEOSA-N 473.360 -0.238 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)CC[C@H](N)C(N)=O)CC1 1826934205 VBZHTMHEUKSJMS-ROUUACIJSA-N 459.551 -0.489 50 20 JBGD C[C@@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CC(=O)NC3=O)C2)C1 1830535830 UCBGQESCLCXACN-SJCJKPOMSA-N 461.313 -0.974 50 20 JBGD C[Si](C)(C)OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc3n(n1)CCNC3=O)CCO2 1834563212 ARLJEHMSACEXHJ-FQEVSTJZSA-N 465.583 -0.452 50 20 JBGD C[C@H](Br)C(=O)N1CCC(N2CCC(NC(=O)c3cc(=O)n4[nH]nnc4n3)CC2)CC1 1834973389 WEZQYVUBAMPORS-NSHDSACASA-N 481.355 -0.219 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C[C@H](N)c1cccnc1)CCO2 1835836734 UYIKUENLTMZIAG-AVRDEDQJSA-N 462.551 -0.699 50 20 JBGD O=C(Cc1noc2ccccc12)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1835980211 JCHIQITUTIHAFE-XMMPIXPASA-N 479.298 -0.180 50 20 JBGD CC(=O)O[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1)C(C)C 1837224413 PFVLKQVGJLYUHM-CTNGQTDRSA-N 456.540 -0.597 50 20 JBGD C[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)Br)C2)C1)N1CCN(C)CC1 1839105707 JGKIXKIQSWSPJT-JTDSTZFVSA-N 461.401 -0.138 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1C[C@@]13C(=O)Nc1ccccc13)CCO2 1840037984 BOHFXYWZBVGMFG-MUEKUWCCSA-N 499.568 -0.274 50 20 JBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)[C@@H]3CC(=O)N([C@H]4CCS(=O)(=O)C4)C3)cc2)CC1 728214469 PMTVDVFMOMOGAH-WBVHZDCISA-N 499.615 -0.899 50 20 JBGD COc1cc(N2C[C@H](C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)CC2=O)cc(OC)c1OC 729276258 AETUJXASEKKNKY-WDEREUQCSA-N 458.493 -0.850 50 20 JBGD C[C@@H](C(=O)N1CC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1)N1CSCSC1 1779146530 SUHUGAIHMWHMBK-MGPUTAFESA-N 465.406 -0.147 50 20 JBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](O)N1CCOCC1)C2)[C@@H](F)Br 1780774691 IJNZLWWAQUVKKX-LNCBFAARSA-N 452.321 -0.159 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc4nc(CO)[nH]c4c3)C[C@@H]21 1788610083 CHELDMMOBNPZDF-VHFSOBRXSA-N 493.524 -0.039 50 20 JBGD CC(C)OC(=O)c1ncccc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1794314328 CJTHJZLOOPCTRP-XEMDLRDOSA-N 481.314 -0.156 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1nccnc1C(N)=O 1799038680 FILVSYNBLOCZQQ-BTSNSQKGSA-N 452.475 -0.039 50 20 JBGD CC(=O)N1CCN(CC(=O)N2CC[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)CC1 1807362450 LZGBFPDVXPULRR-URXFXBBRSA-N 493.373 -0.755 50 20 JBGD CCS(=O)(=O)N[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1815162297 IIFDBNNSMXNFEJ-CXAGYDPISA-N 477.352 -0.277 50 20 JBGD NC(=O)c1nccnc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(B(O)O)c2)CC1 1829508234 MRDSNXOYBUFXPR-SFHVURJKSA-N 465.319 -0.198 50 20 JBGD C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1)C1(O)CCC1 1829741758 XDAXULQSORBSAJ-VFNWGFHPSA-N 461.519 -0.694 50 20 JBGD COc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)s1 1833418818 OGRPAPKJCXPXIO-OAQYLSRUSA-N 460.317 -0.180 50 20 JBGD Cc1cnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)s1 1833802168 COJWQUOJZZPRFA-HXUWFJFHSA-N 460.516 -0.166 50 20 JBGD CC(=O)c1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C(C)=N/NC(=O)c4ccc[nH]4)C3)C2)n[nH]1 1833822960 QMBJYNHLMOHJCY-SGCYSOCQSA-N 485.501 -0.184 50 20 JBGD COc1cccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)c1 1835929308 KKVPMNJKONZZJU-DEOSSOPVSA-N 468.315 -0.312 50 20 JBGD Cc1cc(C)n(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)n1 1835934493 VVCPVKFFXGGXJH-QHCPKHFHSA-N 470.335 -0.660 50 20 JBGD COc1c(Cl)ccnc1C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835937986 DJAWGMWYJHLUBF-QFIPXVFZSA-N 489.721 -0.193 50 20 JBGD C[C@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837455681 DKYNFJYNNGNNSB-BFUOFWGJSA-N 484.351 -0.214 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccccn3)C2)C1 1837457896 VDYMZESMVYXVGK-JOCHJYFZSA-N 454.487 -0.607 50 20 JBGD CN1CCC[C@H](C(=O)N2CCOC[C@@]3(CN(C(=O)c4cnccc4C(=O)NN)CCO3)C2)C1 1837459342 DEAKVXKHCWBUGW-AOMKIAJQSA-N 460.535 -0.903 50 20 JBGD C[C@@](Cl)(CCl)C(=O)N1CCOC[C@]2(CN(C(=O)c3nccnc3C(N)=O)CCO2)C1 1838330485 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863968609 XRCHLGKJDMURER-UHFFFAOYSA-N 453.916 -0.653 50 20 JBGD Cc1ccc(S(=O)(=O)N2CCC(C(=O)NNC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)cc1 915880354 JCMDZYOXAXDKJH-OAHLLOKOSA-N 458.562 -0.087 50 20 JBGD CN1CCN(CCC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cnccc3C(=O)NN)C2)CC1 1779373450 SJWKWBGZQHCYMY-HYBUGGRVSA-N 487.605 -0.550 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(CN(C(=O)CCN3C(=O)c4ccccc4C3=O)CCO2)C1 1783933645 TWTMDZTVACEFMB-XMMPIXPASA-N 485.541 -0.124 50 20 JBGD COc1ncccc1CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1785308927 CHQYARVDKKSSJI-JBACZVJFSA-N 467.331 -0.004 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)nc(O)n3)[C@H]2C1 1787439305 MVFYVYLCXNEVFC-BJDWFCHDSA-N 471.474 -0.385 50 20 JBGD O=C(CN1CCc2sccc2C1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1793897489 UEMQIZPUQFLMCI-OPMZPASUSA-N 469.372 -0.311 50 20 JBGD CC(C)(C)OC(=O)N1CC2(C[C@H]2C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)C1 1795737150 XQFXJNQGFBDKJA-HNJRGHQBSA-N 499.373 -0.173 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1Cc2ccccc2O1 1797227469 WTJUGCHVFGDAJR-HRYATBACSA-N 451.483 -0.108 50 20 JBGD C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C)N1CSCSC1 1801011347 HWLIGBDCWHLSDR-ZXFNITATSA-N 459.638 -0.008 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)CCc2nc(N)n[nH]2)[C@@H]1c1cccnc1 1810158475 UDKKPSMADAVEFY-QRWLVFNGSA-N 457.539 -0.207 50 20 JBGD CS(=O)(=O)c1ccc(F)c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)c1 1830735698 LXLMJSDFJUSTLQ-QFBILLFUSA-N 478.926 -0.101 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ncc(F)cc1F)CCO2 1831968111 ROQVDQYTZBHMAN-FQEVSTJZSA-N 455.462 -0.197 50 20 JBGD NC(=O)CC[C@H](N)C(=O)NC1CCN(C2CCN(C(=O)[C@H](F)Br)CC2)CC1 1834674400 MCJNAKZGGCDQMV-ZFWWWQNUSA-N 450.353 -0.159 50 20 JBGD CN[C@H](CC(=O)NC1CCN(C2CCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)CC2)CC1)C(=O)O 1834737348 LZTVUHHCHAHXEY-PYNCTGKJSA-N 489.577 -0.245 50 20 JBGD Cc1nn[nH]c1C(=O)N1CCC(N2CCC(NC(=O)c3cnccc3C(=O)NN)CC2)CC1 1835736818 IVUVGJJMQYRTKH-UHFFFAOYSA-N 455.523 -0.389 50 20 JBGD CNC(=S)NCCC(=O)NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1835739320 TUPWPRNYDAIUDT-UHFFFAOYSA-N 475.424 -0.964 50 20 JBGD CC(=O)N/C(=C\c1ccco1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835932003 KHFZLPBAFSAPMK-DNQIBQKISA-N 497.313 -0.793 50 20 JBGD COc1ccc(F)c(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)c1 1835942168 ZWVPYOQBNFDGEE-HSZRJFAPSA-N 472.278 -0.102 50 20 JBGD Cn1nncc1C(=O)N1CCC(OC2CCN(C(=O)c3cnccc3C(=O)NN)CC2)CC1 1837230024 AWESHBMTMLKKCR-UHFFFAOYSA-N 456.507 -0.260 50 20 JBGD CC(=O)OC[C@H](OC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1837499945 SKLZQDBDGJHMGM-ZQIUZPCESA-N 483.287 -0.372 50 20 JBGD Cc1ccc(O)c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)c1 1838892355 AFEBNRXDCPUKHB-QHCPKHFHSA-N 454.288 -0.236 50 20 JBGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(=O)n4[nH]cnc4n3)C2)C1 1840032247 SIPRYYVPAKLNKU-GTNSWQLSSA-N 469.296 -0.729 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(CO)c(F)c1)CCO2 1840783252 ZAJVDXVMDFIXBM-QHCPKHFHSA-N 472.278 -0.618 50 20 JBGD O=C(c1nc2c(=O)[nH]c3ccccc3n2n1)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843011359 VETMGENSGRNENG-UHFFFAOYSA-N 472.270 -0.619 50 20 JBGD Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)NNC(=O)C(=O)NC(C)C)CC2)cc1 726615062 XARZRMFZUJRYDG-UHFFFAOYSA-N 467.548 -0.720 50 20 JBGD COc1ccc(NCC(=O)NNC(=O)c2cc(S(=O)(=O)N3CCOCC3)cn2C)cc1 825549128 KDTCVRCTRMUVTR-UHFFFAOYSA-N 451.505 -0.072 50 20 JBGD O=C1CN(S(=O)(=O)c2ccc(C(=O)NNC(=O)COc3ccc(F)cc3)cc2)CCN1 914460902 VIFSIJXNPKRKIK-UHFFFAOYSA-N 450.448 -0.214 50 20 JBGD CCOc1ccc(S(=O)(=O)N2CCC(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)CC2)cc1 920297349 CBDVLVRKRQZKBO-CYBMUJFWSA-N 476.577 -0.429 50 20 JBGD CN1CCN(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C3)CC1 1778851473 CYOPPIIQYAJBHU-XMSQKQJNSA-N 452.600 -0.879 50 20 JBGD COC(=O)C1(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cnccc3C(=O)NN)C2)CC1 1779375797 SUEDPBADIQPCGD-IIBYNOLFSA-N 459.503 -0.234 50 20 JBGD C[C@@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCC(=O)NN(C)C)C1)N1CCN(C)CC1 1782212016 BUYWBVBZXTXIFY-YCRNBWNJSA-N 466.627 -0.491 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)c3cnc4ccc(F)cn34)C2)C1 1782459830 JDZBSAGGVPZBIC-JOCHJYFZSA-N 452.251 -0.090 50 20 JBGD CC(C)(C)OC(=O)N1C[C@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]3C2)[C@@H](O)C1 1784093441 YZSMSYJQVZAQND-LTAJLKHCSA-N 475.970 -0.206 50 20 JBGD C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1)N1C[C@H]2C[C@H]2C1 1788611392 ZFEICDHPGLMTTQ-DJXZQIQKSA-N 456.547 -0.381 50 20 JBGD CC(=O)NCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN(C)NC(=O)NCc3ccccc3)[C@H]2C1 1789726676 MBEFLLQDMCNMJB-UFYCRDLUSA-N 474.562 -0.552 50 20 JBGD COc1cc(F)ccc1CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795740748 FWGIWZSRFYFVNL-FAQVEIGNSA-N 456.279 -0.040 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1=NN(c2ccccc2)C(=O)C1 1796480399 BHYIJWOFALVEKI-USGNIVHTSA-N 491.508 -0.319 50 20 JBGD 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C[C@@](O)(CC(=O)O)CC(=O)N1CCC(OC2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1837921085 YDKPSIZJULMHDS-QHCPKHFHSA-N 476.335 -0.406 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1[nH]cnc1-c1cccnc1)CCO2 1838497939 BULUPLOMMNIPHQ-QHCPKHFHSA-N 485.545 -0.085 50 20 JBGD COC(=O)NCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc([N+](=O)[O-])ccc1OC(C)=O)CCO2 1838528220 LVYHYUUUBJHVPK-NRFANRHFSA-N 494.457 -0.054 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc4ncnn4c3)CCO2)C1 1839048524 FCMCDGMFVVIZSD-QHCPKHFHSA-N 494.512 -0.960 50 20 JBGD CC[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCN(C(C)=O)CC3)C2)C1 1839965294 TVCMJYISKCGPCF-PXNSSMCTSA-N 489.411 -0.220 50 20 JBGD C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1)n1cccc1 1840352733 LSGFOIPRRYZXNR-ZHRRBRCNSA-N 456.503 -0.182 50 20 JBGD CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1840371649 VHAMUJLEDQFSEO-VKJFTORMSA-N 490.330 -0.396 50 20 JBGD COc1cc(N2CCC(C(=O)N3CC4(CCCN4C(=O)c4ccc(B(O)O)cc4)C3)CC2)ncn1 1843010400 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NLXZEMSRYNXZCQ-WGLQLPMYSA-N 467.486 -0.016 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](O)N2CCOCC2)C1 1779414034 VBOLIVVTXKKSRX-SGEINYERSA-N 490.561 -0.715 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2 1782209401 MSQFQTIJWBCWRE-OXQOHEQNSA-N 465.511 -0.322 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CCc4nc(O)nc(O)c4C3)[C@H]2C1 1785332820 UXDBAFCDYWYGIR-DNUAJFIVSA-N 490.561 -0.655 50 20 JBGD C[C@H](CBr)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786982708 FCKUMICYPKRUIU-QCPWZWHMSA-N 453.142 -0.009 50 20 JBGD CN1CCCn2nc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)c5cccc(B(O)O)c5)[C@H]4C3)cc2C1 1786985269 XMYXHSHRLAPBJG-XJABCFGWSA-N 481.362 -0.695 50 20 JBGD COC(=O)[C@@H]1CCC[C@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)C1 1786986432 AUKMGNVGNPFWIU-LBFCPWMRSA-N 472.347 -0.061 50 20 JBGD C[C@@H](NC(=O)c1ccc(F)cc1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1789695429 ZIXMIDRHTXJLCZ-VPPRVIDZSA-N 497.332 -0.083 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)C[C@@H]21 1791288124 ZZUZZJRQILWHPY-FJIDUMEYSA-N 499.609 -0.385 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCNC1=N)C2 1793880684 DAGXJVSROWKCFB-FQLMCAECSA-N 472.974 -0.452 50 20 JBGD Cc1nc2ncccn2c1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797751012 ZSWXVLJNBKQBOI-XOIINTDNSA-N 464.486 -0.447 50 20 JBGD CN[C@H](CC(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)C(=O)O 1807204246 DQEGSAWHHWJRGG-YVWKXTFCSA-N 454.292 -0.856 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@H](CNC(=O)CN2C(=O)C=CC2=O)[C@@H]1c1cccnc1 1813175136 NRVHHZKMNRXULX-BTYIYWSLSA-N 477.481 -0.675 50 20 JBGD COC(=O)NCC(=O)NC[C@@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1813266418 FDWXTGGZIZKWCP-KBXCAEBGSA-N 455.475 -0.244 50 20 JBGD CCS(=O)(=O)N[C@@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815336062 ZLTKYHSXCJZMKJ-FZMZJTMJSA-N 480.377 -0.624 50 20 JBGD COC(=O)[C@@H]1CC[C@H](C(=O)N2CCO[C@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)C1 1830719345 XMFFZXAQLBXEFC-JKSBSHDWSA-N 468.551 -0.595 50 20 JBGD O=C(CCN1C(=O)c2ccccc2C1=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1832531658 RRIAQXQAUHMIFH-VGSWGCGISA-N 479.917 -0.271 50 20 JBGD O=C(O)c1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](F)Br)C3)C2)ncn1 1833497798 RPNIAABXKZQQRK-MLGOLLRUSA-N 461.244 -0.065 50 20 JBGD COc1ncc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)cc1C 1834576696 DJWIPOOULZQBED-HSZRJFAPSA-N 469.303 -0.538 50 20 JBGD O=C(CC12CCCN1CCC2)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835939405 PQAJFAREEUNFSD-DEOSSOPVSA-N 471.363 -0.545 50 20 JBGD O=C(C1=NO[C@@H](c2ccccc2)C1)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1836588312 WTFFNTXAEVUTBJ-RCZVLFRGSA-N 493.325 -0.046 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1n[nH]c3ccccc13)CCO2 1836940807 FZXQUCOPGRAYIV-HSZRJFAPSA-N 479.497 -0.055 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCCSC3)C2)C1 1837461320 UMASWMOJXKQBGM-QVKFZJNVSA-N 463.560 -0.102 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccccc3O)C2)C1 1837461541 YHNPTTOCCNATJN-QHCPKHFHSA-N 469.498 -0.297 50 20 JBGD Cc1cn(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@](C)(Cl)CCl)CCO3)c(=O)nc1O 1839156369 NRHHCBDGQBGEHB-RBUKOAKNSA-N 477.345 -0.050 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(F)nc3F)C2)C1 1840182397 BTYPDDBIPFKECZ-HXUWFJFHSA-N 455.462 -0.197 50 20 JBGD C[C@H](NNc1ccccc1)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840182576 GIMSCZXYFOEJES-FDDCHVKYSA-N 476.578 -0.179 50 20 JBGD COc1cc(N2C[C@H](C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)CC2=O)cc(OC)c1OC 729276255 AETUJXASEKKNKY-GHMZBOCLSA-N 458.493 -0.850 50 20 JBGD O=C(NCCCN1C(=O)CNC1=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 731119166 YGMUTVANSMMRQS-UHFFFAOYSA-N 452.493 -0.643 50 20 JBGD C[C@H](C(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)N1C(=O)CCC1=O 916033247 SDBYFEFLFHXUEH-CQSZACIVSA-N 466.516 -0.675 50 20 JBGD C[C@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2)N1C[C@@H]2C[C@H]2C1 1779246552 IBZGSECVKOYKNQ-UPRPASAXSA-N 455.364 -0.166 50 20 JBGD C[C@H](NC(=O)c1ccccc1)C(=O)N1CC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1785555698 AAWNDKGOQGUYGV-FYSMJZIKSA-N 480.525 -0.053 50 20 JBGD COCCOCCOCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1 1788610037 YEACCYYKQRTQQO-VDGAXYAQSA-N 493.561 -0.652 50 20 JBGD CC(C)(C)OC(=O)N1C[C@](C)(O)C[C@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)CCl 1792982500 FMUIPKCSODIEIC-PNVHDIKGSA-N 475.970 -0.064 50 20 JBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 1793083076 XSIYOJWGBBFPOS-CLWJZODNSA-N 497.593 -0.415 50 20 JBGD O=C(CCc1ccc2c(c1)OCO2)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1795319713 CXICGDHHDNEDRY-FEJSZKPUSA-N 466.299 -0.069 50 20 JBGD CC(=O)Nc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)ccn1 1797750993 YALDIDSQFMQENI-CCWDJLKJSA-N 467.486 -0.445 50 20 JBGD CC[C@@H](NC(C)=O)C(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1802879482 GJRHQUNOUBMSAM-CEWLAPEOSA-N 452.320 -0.004 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H](CNC(=O)c2cnc(O)nc2O)[C@H]1c1cccnc1 1808280448 KCWJCCOCIIPYRV-CXAGYDPISA-N 478.469 -0.085 50 20 JBGD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)[C@H]1CCCS1(=O)=O)CC2)c1cccc(B(O)O)c1 1815360499 RHZQVLCUAONMTR-XJKSGUPXSA-N 463.346 -0.374 50 20 JBGD CCS(=O)(=O)N[C@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)CCC(=O)NN(C)C)sc2C1 1826082856 GAAWPTXCQYSWHH-VXGBXAGGSA-N 474.609 -0.244 50 20 JBGD O=C(Cc1cnc2ccccn12)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1830659346 ZPQRUBPIMGZCSK-DEOSSOPVSA-N 478.314 -0.673 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCc1ccc(F)nc1)CCO2 1832837656 FBXCRTNAGVHQSC-JOCHJYFZSA-N 465.526 -0.017 50 20 JBGD Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)nc1C 1833690172 ZTGQUTXQDZLUBF-HSZRJFAPSA-N 453.304 -0.238 50 20 JBGD C[C@H](Nc1cnccn1)C(=O)N1CCC(N2CCC(NC(=O)c3cccc(B(O)O)c3)CC2)CC1 1834801290 WUMODWWVPHJOJY-KRWDZBQOSA-N 480.378 -0.158 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1)c1cn2ncccc2n1 1835392843 DJVIDHASOAUZTD-UHFFFAOYSA-N 476.346 -0.092 50 20 JBGD O=C(/C=C/c1ccc([N+](=O)[O-])o1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835926535 QNTXWMFBNVCWAC-YHCZKZFASA-N 485.258 -0.349 50 20 JBGD CC[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1)N(CC)CC 1835934291 UGEMLYPUZPIOIK-NFBKMPQASA-N 461.368 -0.443 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)c3c[nH]c4ncccc34)C2)C1 1835936899 IKZJZYZFIKMYKK-QHCPKHFHSA-N 464.287 -0.374 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCC(OC2CCN(C(=O)c3ccc(O)nn3)CC2)CC1 1837367131 WJZFXXYXCQDPBL-UHFFFAOYSA-N 454.292 -0.212 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnnc(Cl)c3)C2)C1 1837457174 XIQTYFJWNUJRDY-FQEVSTJZSA-N 475.893 -0.488 50 20 JBGD Cc1ncncc1C(=O)N1CCOC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837458786 BTWKDFIVSFRWLC-OAQYLSRUSA-N 455.475 -0.833 50 20 JBGD Cn1ncc2cc(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)c3cnccc3C(=O)NN)CCO4)ccc21 1837459606 SSCQPVNNEZKBET-XMMPIXPASA-N 493.524 -0.044 50 20 JBGD COc1cccc(OC)c1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1838881653 LDNRMMWWISNBAE-XMMPIXPASA-N 484.314 -0.233 50 20 JBGD NC(=O)c1ncccc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839198415 ZWFUYZSCUHLFJP-SUMWQHHRSA-N 459.272 -0.059 50 20 JBGD O=C(CNC(=O)C(F)(F)F)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839202664 MHZCZSYZFQVEKU-ZWNOBZJWSA-N 464.210 -0.188 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)c1ccnc3ncccc13)CCO2 1839541878 OXNFSKAWVIUMLT-DEOSSOPVSA-N 476.298 -0.307 50 20 JBGD CC(C)(C)OC(=O)N[C@H](CCN)C(=O)N1CC2(CCCN2C(=O)c2cnccc2C(=O)NN)C1 1844263877 FHQFETMRZYXZTH-MRXNPFEDSA-N 475.550 -0.256 50 20 JBGD Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)NNC(=O)C(=O)NC3CC3)CC2)cc1 10215836 MHCQPDSVSLKYPA-UHFFFAOYSA-N 465.532 -0.966 50 20 JBGD C[C@@]1(NNC(=O)NCc2ccccc2CS(=O)(=O)N2CCOCC2)CCS(=O)(=O)C1 916228816 ICEFHYAYYMGZGV-GOSISDBHSA-N 460.578 -0.270 50 20 JBGD Cn1c(=O)c2cc(C(=O)NNC(=O)c3cccc(S(=O)(=O)N4CCCC4)c3)n(C)c2n(C)c1=O 919687340 UDURDLOIMLKHGH-UHFFFAOYSA-N 488.526 -0.565 50 20 JBGD Cn1nc(C(=O)NNC(=O)C2=NN(c3ccc(F)cc3)[C@@H](C(N)=O)C2)c2ccccc2c1=O 933190214 RHIUSQREOQLTSQ-MRXNPFEDSA-N 451.418 -0.046 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779030680 TXSAWHYCDVKVBW-AOMKIAJQSA-N 492.533 -0.986 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@@]2(CCN(C(=O)CN3CCCCC3=O)C2)C1 1783755852 UYMVBWHURIXCDC-ZHNJOBQTSA-N 458.519 -0.037 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCNC(=O)c3ccc[nH]3)C[C@@H]21 1788611502 GJWNJILEVZFVNB-FNHZYXHNSA-N 483.529 -0.573 50 20 JBGD C[C@@H](NNc1ccccc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1792505976 MPUHRTBYVIRWMX-LAVAIGHBSA-N 452.320 -0.425 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@@H]1NC(=O)NC1=O 1793940470 FACZPHMNJSKTAA-KBRXKUPHSA-N 487.941 -0.694 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cnnn1 1795856196 SBAKGBADRLDBBB-XFMPKHEZSA-N 457.919 -0.605 50 20 JBGD CC[C@H](NC(N)=O)C(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807374694 HKGHMWCTFZTQBB-NZSAHSFTSA-N 453.308 -0.472 50 20 JBGD COC[C@H](NC(C)=O)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCC(=O)NN(C)C)[nH]n1 1819613935 PNRQCTRTGJQELE-HOTGVXAUSA-N 451.528 -0.074 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCC([C@@H]2CCCCN2C(=O)c2cc(=O)n3[nH]cnc3n2)CC1 1827046677 BBDPFOTXXUUGBW-IBGZPJMESA-N 478.318 -0.356 50 20 JBGD CC(=O)N(C)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C2)C1 1832290578 HLHFRSOZJFUBPK-OLCUMFGGSA-N 476.534 -0.555 50 20 JBGD CC(=O)N1CCN(CC(=O)N2CCC(N3CCC(NC(=O)[C@H](O)CCl)CC3)CC2)CC1 1833310138 KLSNFMONMXEXIP-LJQANCHMSA-N 458.003 -0.678 50 20 JBGD Cc1noc(CC(=O)N2CCC(N3CCC(NC(=O)c4cccc(B(O)O)c4)CC3)CC2)n1 1834801022 HXWCJUVIHGFBPX-UHFFFAOYSA-N 455.324 -0.514 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)c3cn4c(F)cccc4n3)C2)C1 1835932234 VFVKFNRUNSSJNO-HSZRJFAPSA-N 482.277 -0.463 50 20 JBGD COc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)ccc1F 1835934474 VCVLTGBZZGHGNT-HSZRJFAPSA-N 472.278 -0.102 50 20 JBGD Cc1cccc(C)c1NC(=O)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835939274 JRDHRJNXDGLWDX-RUZDIDTESA-N 495.341 -0.308 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(CN(C(=O)c3cc4n(n3)CCCO4)CCO2)C1 1836970573 BVMJBNLNFAXRHR-JOCHJYFZSA-N 485.501 -0.952 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cncc(O)c3)C2)C1 1837460360 DAIWNBVYWSJIHW-OAQYLSRUSA-N 456.459 -0.831 50 20 JBGD C[Si](C)(C)OCC(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4c3CS(=O)(=O)C4)C2)C1 1837711458 IVFPPWFCEOVSPW-LJQANCHMSA-N 486.623 -0.240 50 20 JBGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)c3cccnc3)C2)C1 1840150573 NUBSRMWXFWEZFH-OXQOHEQNSA-N 454.911 -0.478 50 20 JBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(=O)nc4cccnn34)C2)C1 1840154258 QMBJNHQDPXLXGN-VBKZILBWSA-N 465.894 -0.587 50 20 JBGD C[C@@H](Cc1ccccn1)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1840332201 OQYXXHNDICLSMN-MHECFPHRSA-N 467.331 -0.290 50 20 JBGD Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)c(O)c1 1840667799 CUEBDKKAOCMNGC-QHCPKHFHSA-N 454.288 -0.236 50 20 JBGD Cc1cn(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)Br)C3)C2)c(=O)nc1O 1840808456 YRKQCCODHKXGKX-ACJLOTCBSA-N 473.324 -0.503 50 20 JBGD C[C@@]1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)CC1(F)F 1840826974 DSKQYVFMWZKJAR-RBUKOAKNSA-N 453.446 -0.200 50 20 JBGD COC[C@H](Cl)C(=O)N1CCCC12CN(C(=O)[C@H]1CSCN1C(=O)[C@@H]1CCC(=O)N1)C2 1846364192 CATVUCJHHHMEEL-MELADBBJSA-N 458.968 -0.376 50 20 JBGD Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)NNC(=O)CNC(=O)c2cccs2)CC1 725872432 OVJAFAWRHOBXNA-UHFFFAOYSA-N 470.533 -0.170 50 20 JBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)cc1 726278631 XBGFICZPEPAYOU-GOSISDBHSA-N 482.607 -0.111 50 20 JBGD CCn1nc(C(=O)NNC(=O)NCCS(=O)(=O)N2CCSCC2)c2ccccc2c1=O 730673421 VFBNHEKCTIXMSJ-UHFFFAOYSA-N 468.561 -0.261 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)c3ccc4nn[nH]c4c3)CCO2)C1 1779036929 JMTLJVXBDXRFSE-NRFANRHFSA-N 450.459 -0.286 50 20 JBGD CS(=O)(=O)Cc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]3C2)cn1 1784089860 KTPDONNHJAYXBK-HJWJTTGWSA-N 459.952 -0.181 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)[C@@H]1COc2ccccc2O1 1785038833 PHGGNSIHTRTJFL-DBXVSBKESA-N 466.299 -0.200 50 20 JBGD C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)N1CSCSC1 1797842355 PFUYNYPJZNSHSV-NYCLONFESA-N 465.406 -0.387 50 20 JBGD C[C@H](NC=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN(C)NC(=O)NCc1ccccc1 1799097942 XTKJJAFRMYFJQJ-BOLBYERCSA-N 460.535 -0.943 50 20 JBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1cccc([N+](=O)[O-])c1=O)c1ccc(B(O)O)cc1 1801356144 HGIKTAMDYORREC-BJWYYQGGSA-N 454.248 -0.612 50 20 JBGD O=C(CCN1C(=O)C=CC1=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1803916312 LYLRMCNZFREWME-FDDCHVKYSA-N 476.298 -0.604 50 20 JBGD CS(=O)(=O)CCC(=O)N[C@@H]1CCc2nc(NC(=O)c3cnccc3C(=O)NN)sc2C1 1819801011 FXPNUJDENDGUQJ-SNVBAGLBSA-N 466.545 -0.198 50 20 JBGD N#Cc1cccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)c1 1830458574 GUJHEDAOERHOMI-RUZDIDTESA-N 477.326 -0.059 50 20 JBGD CN1Cc2ccccc2C[C@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1832468984 VAVDYHQPTIVHQI-OZXSUGGESA-N 493.369 -0.507 50 20 JBGD Cc1noc(C)c1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1834065628 HAQCWZDKTJDXRQ-OAQYLSRUSA-N 458.475 -0.326 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)Cn3nnc4ccccc43)CC2)CC1)c1cccc(B(O)O)c1 1834800186 YILSITIICVBNIU-UHFFFAOYSA-N 490.373 -0.004 50 20 JBGD Cc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)nc2nccn12 1835932336 ZYQAYRPHYFEQFX-HSZRJFAPSA-N 479.302 -0.899 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)C(F)(F)c3ccco3)C2)C1 1835940139 VNSSYQCEPDRALK-HXUWFJFHSA-N 464.230 -0.179 50 20 JBGD CCc1noc(C)c1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837459184 LUVOZYPAHVUHJV-JOCHJYFZSA-N 472.502 -0.072 50 20 JBGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)NC(=O)c1cnccn1)CCO2 1837610665 WWROMECWHYXGNH-AUSJPIAWSA-N 469.926 -0.695 50 20 JBGD Cn1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)c(C(F)(F)F)n1 1837960558 IXWJSPBOSVOGLN-HXUWFJFHSA-N 496.251 -0.498 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cncn3)C2)C1 1838528305 PBDSVWNZAZAZDT-OAQYLSRUSA-N 488.457 -0.118 50 20 JBGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3CCN(S(C)(=O)=O)CC3)C2)C1 1840033289 ZXCRTQAFXUQGOM-KSSFIOAISA-N 496.424 -0.102 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](CN)c3ccccc3)C2)C1 1840184213 XBTMLJNGUPENLQ-CVDCTZTESA-N 461.563 -0.442 50 20 JBGD CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N2CCCC23CN(C(=O)c2cccc(B(O)O)c2)C3)[C@@H](O)C1 1841025195 AFHCENHEZZEHEY-MOPGFXCFSA-N 487.362 -0.199 50 20 JBGD CC(C)(C)OC(=O)N1CCC(O)(C(=O)N2CC3(CCCN3C(=O)c3ccc(B(O)O)cc3)C2)CC1 1843010712 ULDWNPIEOQGBAJ-UHFFFAOYSA-N 487.362 -0.055 50 20 JBGD O=C(CNS(=O)(=O)c1cccc(Br)c1)NNC(=O)[C@H]1CCS(=O)(=O)C1 732308034 RJUFIGCXGAYOKV-VIFPVBQESA-N 454.324 -0.691 50 20 JBGD O=C(CS(=O)(=O)CC(=O)Nc1cccc(Br)c1)NNC(=O)[C@H]1CCS(=O)(=O)C1 915832323 SGZWZECQUMUWOT-JTQLQIEISA-N 496.361 -0.616 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)c3cnn4ccncc34)C2)C1 1777977247 QYJWDXKJQMLQEU-NRFANRHFSA-N 450.459 -0.515 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCN1CCOCC1)C2 1779373182 LFERIDDXWQYNRL-AUSIDOKSSA-N 474.562 -0.465 50 20 JBGD CN(CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1C[C@@H](O)C1)CCO2)NC(=O)NCc1ccccc1 1780968506 LWXKGQDDBXDRAO-YYDVJCTNSA-N 459.547 -0.067 50 20 JBGD CC(C)NC(=O)OC(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1781020077 YOYFOEAUJUUMOB-JOCHJYFZSA-N 461.324 -0.277 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)c3cnc4c(c3)CCNCC4)C2)C1 1782729234 ANINYRXNYMAEPF-DEOSSOPVSA-N 464.331 -0.793 50 20 JBGD Cn1c(=O)c2c(CC(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)[C@H](O)CCl)csc2n(C)c1=O 1792978746 OEMZFTALIXVEGL-OQMKEHIESA-N 484.962 -0.970 50 20 JBGD CCS(=O)(=O)N[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnccc1C(=O)NN)C2 1793533286 ABVZSKCLPKULMQ-FQUUOJAGSA-N 452.537 -0.735 50 20 JBGD CC[C@H](NC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN(C)NC(=O)NCc1ccccc1)C2 1795725321 SENWJIWAWUPBJT-JTJHWIPRSA-N 460.579 -0.080 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(=O)nc3cccnn13)C2)[C@@H](F)Br 1799349358 XKPPQHFDLACMSD-ANGCBRKESA-N 454.256 -0.017 50 20 JBGD CN1N=C(C(=O)NC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)CCC1=O 1804119292 DJHIPHJULQVQBN-UWJYYQICSA-N 463.303 -0.311 50 20 JBGD O=C(Cn1cc([N+](=O)[O-])cn1)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1804417429 AHOVJNKNZDJKMF-UWJYYQICSA-N 478.274 -0.114 50 20 JBGD CC(=O)OC[C@H](OC(C)=O)C(=O)N[C@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815344006 BGBKVXNLLQNWAF-RDJZCZTQSA-N 489.315 -0.457 50 20 JBGD COCCn1ccc(C(=O)NC2CCN(C3CCN(C(=O)c4ccc(B(O)O)cc4)CC3)CC2)n1 1835185068 DQUFKEXOOJMCGO-UHFFFAOYSA-N 483.378 -0.292 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)C3(C(F)(F)F)CC3)C2)C1 1835930503 KBLHMPNKWLCTCC-GOSISDBHSA-N 456.226 -0.221 50 20 JBGD C[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1)c1ccc(O)cc1 1835931645 VRSYYGNOOSHKHE-OSPHWJPCSA-N 468.315 -0.054 50 20 JBGD O=C(Cc1cccc(F)c1F)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835932229 UWKSVQVYWOMBJF-QHCPKHFHSA-N 474.269 -0.043 50 20 JBGD CCOC(=O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835934544 XQRSHDKUJIGDHH-JOCHJYFZSA-N 462.308 -0.974 50 20 JBGD CCOC(=O)N[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@](C)(Cl)CCl)C2)C1 1837209347 POLAMMRZLWFRFP-OAUYIBNBSA-N 456.323 -0.256 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CNc4ccccc43)C2)C1 1837457717 NAOJSGBZZDWUEL-YADARESESA-N 480.525 -0.036 50 20 JBGD COC(=O)C1(C(=O)N2CCC(OC3CCN(C(=O)c4cccc(B(O)O)c4)CC3)CC2)CC1 1837921770 ZHGWKGDFNMXVPJ-UHFFFAOYSA-N 458.320 -0.068 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc3cccnn3n1)CCO2 1838426111 XKXRFZNHUYIJKL-LRULAXNGSA-N 494.512 -0.067 50 20 JBGD CCOC(=O)c1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)ccn1 1838721783 SVFQIULOGQEOMZ-XMMPIXPASA-N 497.313 -0.678 50 20 JBGD C[C@](O)(CC(=O)O)CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839202515 IIMQYXZSIFSCII-FVQBIDKESA-N 455.277 -0.251 50 20 JBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4n(n3)CCCNC4=O)C2)C1 1840153498 PVSIVDRMSAIREP-VBKZILBWSA-N 469.926 -0.660 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1840185445 QPCLEFQHHXCCGO-HOCLYGCPSA-N 453.309 -0.494 50 20 JBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNS(=O)(=O)c2ccc3c(c2)NC(=O)CO3)c1 24258236 PQZFKQIHFWGHEF-UHFFFAOYSA-N 454.486 -0.109 50 20 JBGD CCOC(=O)c1ccc(Br)c(S(=O)(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c1 728510515 LSKSFYOYBXLBJU-QMMMGPOBSA-N 472.339 -0.127 50 20 JBGD O=C(COC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)NNC(=O)c1cccc(Cl)c1 753639592 FIWPSIVXJYKCJI-CYBMUJFWSA-N 470.891 -0.190 50 20 JBGD O=C(COc1ccc(O)nn1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2 1781491794 IHIPKYJBIJSLTL-VGOFRKELSA-N 470.291 -0.932 50 20 JBGD C[C@@H](CBr)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCS(=O)(=O)CC3)C[C@@H]21 1783968651 FARAZGZIEXYREV-VGWMRTNUSA-N 480.425 -0.273 50 20 JBGD COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)n1 1787749543 JCXWRWVVEDCEOE-ZVZYQTTQSA-N 484.274 -0.415 50 20 JBGD Cc1cc2nnc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]4C3)c(C)n2n1 1791291422 UNODMURLYWTLRZ-ULQDDVLXSA-N 472.550 -0.293 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1cnc2ccccn12 1792932627 OAVYFTQANBKGBD-USGNIVHTSA-N 463.498 -0.221 50 20 JBGD CS(=O)(=O)N1CCC(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc(B(O)O)c2)CC1 1796191447 NVSDYASMEUPUIZ-REPLKXPHSA-N 463.365 -0.710 50 20 JBGD COC(=O)[C@H]1CC[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)C1 1797748490 FJYBRTVPRIIQAL-FQRJBHLQSA-N 459.503 -0.522 50 20 JBGD CC(C)(C)OC(=O)N1CC2(CC(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)[C@H](O)CCl)C4)=NO2)C1 1800709935 OHCGWCWKOHJDQI-OCVGTWLNSA-N 486.953 -0.059 50 20 JBGD COC(=O)c1ccc(OCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)cc1 1802231073 UBKSLJAPTSTKOM-VPTLXERWSA-N 497.508 -0.246 50 20 JBGD Cn1c(=O)c2c(ncn2CC(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@@H](O)CCl)n[nH]2)n(C)c1=O 1814868322 YQBDVVOKHUSDHB-OLZOCXBDSA-N 492.924 -0.551 50 20 JBGD COC[C@H](NC(C)=O)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cnccc2C(=O)NN)n[nH]1 1819403332 FJGLUGPWFHYKFW-DLBZAZTESA-N 472.506 -0.135 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1)c1cccc(O)n1 1834198564 XGLNSFVFILTVKX-UHFFFAOYSA-N 452.320 -0.034 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCC(N2CCC(NC(=O)Cn3ccnn3)CC2)CC1 1834899092 YGIPDWBWIXMUGF-WGOQTCKBSA-N 469.550 -0.016 50 20 JBGD CSCC[C@H](O)C(=O)N1CCC(N2CCC(NC(=O)c3cnccc3C(=O)NN)CC2)CC1 1835738221 MQANUBLIBMSUEK-IBGZPJMESA-N 478.619 -0.016 50 20 JBGD CC(=O)OC[C@H](OC(C)=O)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](O)CCl)CC2)CC1 1835754168 USVPHGUDLLYWFX-ROUUACIJSA-N 461.943 -0.348 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)c3cc4cnccc4[nH]3)C2)C1 1835930763 YTLNOQRRQHUOJY-QHCPKHFHSA-N 464.287 -0.374 50 20 JBGD CC(C)c1nc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)no1 1835935032 CKKDLECFEQEWMU-QFIPXVFZSA-N 472.307 -0.815 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cnc4ccccn34)C2)C1 1837456388 LWOMPAJWBFUARD-DEOSSOPVSA-N 493.524 -0.355 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(F)cnc1Cl)CCO2 1837855970 OIIBVNOVSVQYPR-OAQYLSRUSA-N 477.685 -0.062 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccnc(Cl)n1)CCO2 1837928127 JNBWZGTUWGTXID-IBGZPJMESA-N 454.915 -0.427 50 20 JBGD N#CCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)cc1 1839362085 WSZOTDYKQYIBLX-XMMPIXPASA-N 463.299 -0.184 50 20 JBGD Cc1ncc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)s1 1840398964 LXJSQPDBHSSZBN-NRFANRHFSA-N 474.543 -0.237 50 20 JBGD CC(C)(C)OC(=O)N1CCC(O)(C(=O)N2CC3(CCCN3C(=O)c3cccc(B(O)O)c3)C2)CC1 1843013262 ZWRXEFCKDLGSKW-UHFFFAOYSA-N 487.362 -0.055 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCCC12CN(C(=O)[C@H](O)CCNC(=O)OC(C)(C)C)C2 1846385432 FQHVQRUKENZQTD-OAHLLOKOSA-N 455.556 -0.162 50 20 JBGD CCOC(=O)c1ccc(NC(=S)NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)cc1 730595615 ZRYVWXCQFATOHV-UHFFFAOYSA-N 452.518 -0.234 50 20 JBGD Cn1nc(C(=O)NNC(=O)NCCS(=O)(=O)N2CCSCC2)c2ccccc2c1=O 730673410 UFPQHGRRJXTOQE-UHFFFAOYSA-N 454.534 -0.744 50 20 JBGD O=C(CS(=O)(=O)Cc1ccc(Br)cc1)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 919887002 XGIZZYSZMDDTNQ-GFCCVEGCSA-N 468.351 -0.119 50 20 JBGD Cn1c(=O)n(C)c2cc(C(=O)N3CCO[C@@]4(CCN(C(=O)c5cnccc5C(=O)NN)C4)C3)ccc21 1779030231 KYOZAFSODQGNOI-XMMPIXPASA-N 493.524 -0.367 50 20 JBGD CCOC(=O)N1CCC(C(=O)N2CCO[C@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)CC1 1779036042 VIFCQOAJFYZNBM-QHCPKHFHSA-N 488.545 -0.003 50 20 JBGD CN(CC(=O)N1CC[C@@]2(CN(C(=O)CCn3ccnn3)CCO2)C1)NC(=O)NCc1ccccc1 1780969411 MYSOWPXTMIRADL-QHCPKHFHSA-N 484.561 -0.156 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@@H](O)CN3C(=O)OC(C)(C)C)C2)C1 1783614972 IMWPKBYPPMBRCY-DGGJZMOXSA-N 497.593 -0.440 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc4c(c3)CNC4=O)C[C@@H]21)c1ccc(B(O)O)cc1 1786979628 FTGNKFPZGCAYOR-NDXORKPFSA-N 463.299 -0.483 50 20 JBGD COc1cccnc1CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786980165 QIZFMTWZPCZDEI-JLMWRMLUSA-N 467.331 -0.004 50 20 JBGD CC(=O)Nc1cccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)n1 1786984385 BSZSIJGNQYGFGR-QRFRQXIXSA-N 466.303 -0.373 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1nn[nH]c1C(F)(F)F 1789359540 NUIMQVXEFKUKJC-UBHSHLNASA-N 467.213 -0.590 50 20 JBGD CC(C)(C)OC(=O)N1CCOC[C@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)CCl 1792978272 NMIGWRLJCYLRGD-QRJUGERDSA-N 461.943 -0.188 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc2ccc(F)cn12 1800064087 ZNEABESJWNKMKM-DBWKPXFBSA-N 467.461 -0.011 50 20 JBGD NC(=O)c1ncccc1C(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807369578 PBBXDWABGIIKDK-DYESRHJHSA-N 473.298 -0.111 50 20 JBGD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1cccc(=O)n1O)CC2)c1cccc(B(O)O)c1 1815355663 YCUBCYVQMFKLKY-ZDUSSCGKSA-N 454.273 -0.239 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)c1cccnc1Cl)CCO2 1829495616 XDEOSMIAXQVMSU-NRFANRHFSA-N 459.695 -0.201 50 20 JBGD CN1CCN(CCC(=O)N2CCO[C@]3(COCCN(C(=O)CO[Si](C)(C)C)C3)C2)CC1 1835403213 CVFQPQVLWNHZRV-OAQYLSRUSA-N 456.660 -0.068 50 20 JBGD Cc1nc(F)ccc1C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835938186 OXUNWVJDDZTPQQ-QFIPXVFZSA-N 457.267 -0.407 50 20 JBGD Cn1nc(C(=O)N2CCC(OC3CCN(C(=O)c4ccc(B(O)O)cc4)CC3)CC2)cc1O 1837270018 XYRXLJVJTUGJPS-UHFFFAOYSA-N 456.308 -0.269 50 20 JBGD CC(=O)N[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1)C(C)(C)C 1837456983 UQLRRFKOVPJJCQ-WZONZLPQSA-N 490.561 -0.694 50 20 JBGD C[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1)c1ccccn1 1837460495 GVFYNXPFBGJLLZ-MWTRTKDXSA-N 468.514 -0.046 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837564436 OLOFQQZCTWVSPE-LCHAOGNMSA-N 470.486 -0.533 50 20 JBGD C[C@H](CS(C)(=O)=O)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](F)Br)CCO2)C1 1839199696 ZMYRMMWJIJXWBH-LALPHHSUSA-N 459.334 -0.186 50 20 JBGD O=C1Cc2cccc(C(=O)N3CCO[C@]4(COCCN(C(=O)c5ccc(B(O)O)cc5)C4)C3)c2N1 1839573009 FOWOPNUYGJEPLQ-DEOSSOPVSA-N 479.298 -0.755 50 20 JBGD C[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)C[C@](C)(O)CC(=O)O)CCO2)C1 1840182104 WPIIZWIPIPZWCG-AFAVFJNCSA-N 451.314 -0.158 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1840185075 HSMQCRAIXBXBGS-HSZRJFAPSA-N 483.529 -0.122 50 20 JBGD C[C@@H](NC(=O)c1ccccc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1840901275 CWDSNTZNQYQNFN-CJAUYULYSA-N 495.341 -0.745 50 20 JBGD C[C@@H](CN)C(=O)N1CCCC12CN(C(=O)[C@H](Cc1ccc(B(O)O)cc1)NC(=O)OC(C)(C)C)C2 1842867589 JCDKGIZAKNINRX-LPHOPBHVSA-N 488.394 -0.400 50 20 JBGD Cn1c(=O)c2ccc(C(=O)NNC(=O)c3cccc(S(=O)(=O)N4CCCC4)c3)nc2n(C)c1=O 23114271 NDDIWYOUJAYVQU-UHFFFAOYSA-N 486.510 -0.509 50 20 JBGD O=C(CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)NNC(=O)CNC(=O)c1ccco1 751204597 KICPUXJSSUEHAM-UHFFFAOYSA-N 491.526 -0.530 50 20 JBGD COc1cc2c(cc1OC)[C@H](CC(=O)NNC(=O)CN1CCCNC1=O)N(S(C)(=O)=O)CC2 915259744 UCMBFWKXOASOPM-HNNXBMFYSA-N 483.547 -0.485 50 20 JBGD COc1cc2c(cc1OC)[C@@H](CC(=O)NNC(=O)NCC(=O)N(C)C)N(S(C)(=O)=O)CC2 915913320 MQKBUDUUNOFCOY-CQSZACIVSA-N 471.536 -0.629 50 20 JBGD COc1ccc(S(=O)(=O)N2CCC(=NNC(=O)CSc3nn(C)c(=O)n(C)c3=O)CC2)cc1 920370687 MMHJPZJBVPFTLU-UHFFFAOYSA-N 496.571 -0.463 50 20 JBGD Cc1c(Br)c(C(=O)N2CC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)nn1C 1780367267 SOSWTYWVWDANGW-FQEVSTJZSA-N 491.151 -0.072 50 20 JBGD O=C(O)CSCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2 1782222202 JHLMHJCBGQLIFI-OXQOHEQNSA-N 450.322 -0.688 50 20 JBGD COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1783858565 MXWMMNRXTJHQDZ-JKSBSHDWSA-N 450.536 -0.055 50 20 JBGD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1785508876 KQLDYKACPMFFLN-NKOINVLESA-N 468.271 -0.360 50 20 JBGD C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)n1cccc1C=O 1786994530 ZDCGPESXDRAUST-GWKIZSTFSA-N 453.304 -0.165 50 20 JBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCN1C(=O)Cc2ccccc2C1=O 1793053286 WFWKTRJQGSJPHC-MRSFGVLCSA-N 499.568 -0.436 50 20 JBGD C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795736989 QYRMMMUOUXIYLO-HNJRGHQBSA-N 485.346 -0.514 50 20 JBGD C[C@H](NC(=O)c1cnccn1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1 1796191390 HCPXEUUQZWOHBY-RUGDWHBFSA-N 451.292 -0.773 50 20 JBGD Cc1nn2cc(CC(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)c3cnccc3C(=O)NN)nc2s1 1797748721 XVYVFEQGSMMTCQ-IVWMJMPLSA-N 484.542 -0.456 50 20 JBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1Cc3ccccc3CN1)C2 1797750813 RFMDYECTNGGVDZ-HRQSHJORSA-N 464.526 -0.397 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1cc(-n2ccnc2)ccn1 1798726996 KDWFRWPSWDLXGC-UPHUGPLXSA-N 461.287 -0.536 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCC2(CCCN(C(=O)CN3C(=O)CNC3=O)C2)CC1 1806584518 HSRRLHCWMZRONS-MFKUBSTISA-N 471.518 -0.097 50 20 JBGD CCNC(=O)N[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1810236971 DZNFWFHFIQDYRE-BPAFIMBUSA-N 467.335 -0.211 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1810303928 XHUBRCYUJWMNLK-UWJYYQICSA-N 488.313 -0.607 50 20 JBGD O=C([C@@H](O)N1CCOCC1)N1CCC([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827051972 LIESLLUMXBOXOY-NFBKMPQASA-N 459.352 -0.750 50 20 JBGD CN(CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C)COC1)CCO2)NC(=O)NCc1ccccc1 1830034620 VYGNFTIIHHBIKY-XMMPIXPASA-N 489.573 -0.175 50 20 JBGD Cc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)c1 1835931835 DLGZRNSCDXBDDO-XMMPIXPASA-N 463.299 -0.070 50 20 JBGD Cc1ccn2c(C(=O)N3CCOC[C@@]4(CN(C(=O)c5cccc(B(O)O)c5)CCO4)C3)cnc2c1 1835939541 RXOAAIMJABXDGS-XMMPIXPASA-N 478.314 -0.294 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(CN(C(=O)CCc3ccc[nH]3)CCO2)C1 1836013786 AYXQNGYGMRFMLR-QFIPXVFZSA-N 456.503 -0.284 50 20 JBGD C[C@H](C(=O)NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1)n1ccnn1 1836513679 MKYZYVLPTBBJCQ-MRXNPFEDSA-N 454.340 -0.596 50 20 JBGD Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)n(C(F)F)n1 1838711896 CRVZCYXZKMEJTI-NRFANRHFSA-N 478.261 -0.350 50 20 JBGD CC[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(=O)n4[nH]nnc4n3)C2)C1 1839964153 ITCKECFSTVXPEX-APPDUMDISA-N 484.311 -0.944 50 20 JBGD Cc1nc(N)sc1C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840184173 WPYIUIZBCFTPRU-IBGZPJMESA-N 454.553 -0.523 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)CC(=O)Nc3ccc(F)cc3)C2)C1 1840185549 TVHYSPQXEXCEKM-HSZRJFAPSA-N 493.536 -0.016 50 20 JBGD CCC[C@H](NC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1840853592 LJCUSKMINFPDNX-PGRDOPGGSA-N 476.534 -0.940 50 20 JBGD O=C(CCc1c[nH]c2ncccc12)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1840869907 ABTIAPQTLZEPDH-RUZDIDTESA-N 492.341 -0.055 50 20 JBGD Cc1csc(CC(=O)NNC(=O)COC(=O)CN2C(=O)c3ccccc3S2(=O)=O)n1 762237415 HJSMLSNZCGXZMB-UHFFFAOYSA-N 452.470 -0.471 50 20 JBGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)CNS(=O)(=O)c1c[nH]c2ncccc12 918759341 VHUGFPAWKJCHNJ-UHFFFAOYSA-N 479.544 -0.096 50 20 JBGD COC(=O)[C@@H]1CC[C@H](C(=O)N2CCO[C@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)C1 1779029393 RDFOATJYDJEYOT-KIMHZCHSSA-N 459.503 -0.282 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(CCN(C(=O)c3nc4ccc(F)cn4n3)C2)C1 1782567113 GEERSDCYPXKLIK-OAQYLSRUSA-N 468.449 -0.376 50 20 JBGD CN(CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COCCO)C[C@@H]21)NC(=O)NCc1ccccc1 1789726641 IELRTHUHEJBONG-UFYCRDLUSA-N 477.562 -0.679 50 20 JBGD COC(=O)C12CC(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]43)(C1)C2 1791019856 VNJYOAUNQMSILA-POHMFUSSSA-N 450.536 -0.318 50 20 JBGD C[S@](=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2 1792795523 SVVOJJCOUQXQCM-AEDQHXAWSA-N 496.026 -0.162 50 20 JBGD CC(=O)N[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1ccc(F)cc1 1799053407 NUCHKUMYRHCJPZ-UDKICSLYSA-N 483.305 -0.414 50 20 JBGD CC(=O)N[C@@](C)(C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1ccccc1F 1799406748 JGGPAVMIFWUDPH-VCYDUHQGSA-N 497.332 -0.240 50 20 JBGD CC(C)(C)OC(=O)N1CC(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)C1 1802060054 HIIPILVOWVDNAV-RMFSNUHRSA-N 487.362 -0.173 50 20 JBGD CCS(=O)(=O)N[C@H](C)C(=O)NC[C@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1803505673 BDAFGQRXUWNMOF-WRWLIDTKSA-N 482.607 -0.212 50 20 JBGD COC(=O)CSCC(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1803576412 XBBPACZEFXEFGM-UTKZUKDTSA-N 471.344 -0.013 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807368717 XLBNJJVGPZJCSD-AVRDEDQJSA-N 467.335 -0.546 50 20 JBGD O=C(NCC(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)c1cccnc1 1807369705 RZZHKGCGORSVQH-XXBNENTESA-N 487.325 -0.094 50 20 JBGD CCOc1ncccc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1829539577 FPSYUCFSRVQXGL-HSZRJFAPSA-N 469.303 -0.456 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCC(=O)NC1)CCO2 1829952584 QQBBEIDJFYFSDH-BACQRBPLSA-N 474.518 -0.897 50 20 JBGD N[C@H](C(=O)NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1)c1ccccn1 1834722989 XGYIOJXLBAGOFZ-QFIPXVFZSA-N 465.363 -0.353 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)c3cc(Cl)ccn3)C2)C1 1835930749 YHMPXEDEXPYXOY-OAQYLSRUSA-N 459.695 -0.201 50 20 JBGD O=C(c1cc(O)nc(Cl)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835935603 VEYJUHDBNRMWRZ-OAQYLSRUSA-N 475.694 -0.496 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)c3cc4cccnc4[nH]3)C2)C1 1835937152 QKMIZILBBNPOQH-HSZRJFAPSA-N 464.287 -0.374 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cc(C)[nH]n3)CCO2)C1 1837586010 XYOCQIYFJGUBKQ-LWROZRRASA-N 471.518 -0.149 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc4ccnn4c3)CCO2)C1 1839570347 IQTVRRDDGZIOHX-QHCPKHFHSA-N 479.497 -0.283 50 20 JBGD C[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(=O)nc4cccnn34)C2)C1 1840034290 HJJYANSSDQXXBX-YJYMSZOUSA-N 480.319 -0.057 50 20 JBGD Cc1nccn1[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840185953 UPRACWYMFUAIKJ-HRAATJIYSA-N 450.540 -0.418 50 20 JBGD CCOC(=O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1840884008 RQJAAZUZAXXDJE-JOCHJYFZSA-N 462.308 -0.974 50 20 JBGD COc1cc2c(cc1OC)[C@@H](CC(=O)NNC(=O)CN1CCCC1=O)N(S(C)(=O)=O)CC2 726104457 SCKNJFIQTJZMQD-OAHLLOKOSA-N 468.532 -0.278 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H]1CCC(=O)NC1)C2 1779371360 RROGCAAUPKKFTP-WTBBCNCBSA-N 458.519 -0.661 50 20 JBGD COCCOCCOCCC(=O)N1CC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1783667224 QTVGIBFIVTVGFH-OAQYLSRUSA-N 458.556 -0.741 50 20 JBGD COc1ncc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)cc1F 1797749457 AJBWKOAHABPWED-FVCICTRLSA-N 458.450 -0.255 50 20 JBGD CC(C)(C)OC(=O)N[C@@]1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](O)CCl)C3)CCOC1 1799331629 XQQJPCNUHKHMLZ-MTCCJSQRSA-N 461.943 -0.141 50 20 JBGD Cc1cc(NC(=O)CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)no1 1801011598 VFFPEKOYUJOGRM-VTEUUUEMSA-N 450.496 -0.726 50 20 JBGD O=C1CC[C@H](C(=O)NC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)CN1 1802611898 QZWBWIDQAHLFDK-BBTUJRGHSA-N 450.304 -0.393 50 20 JBGD O=C(COc1ccc(O)nn1)N1CCC2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)CC1 1809979785 ASWJUWCYPCCJCL-UHFFFAOYSA-N 454.292 -0.214 50 20 JBGD O=C(COc1cccnn1)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1813389664 TXSBTIBZLPLJRT-AVRDEDQJSA-N 461.287 -0.050 50 20 JBGD NNC(=O)c1ccncc1C(=O)N[C@H]1CCc2nc(NC(=O)CN3CCCC3=O)sc2C1 1814597726 ZELFKOSSCGQAPN-NSHDSACASA-N 457.516 -0.010 50 20 JBGD O=C(CNC(=O)C(F)(F)F)N[C@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815348660 VDEVVTXFDXLGOW-NSHDSACASA-N 470.238 -0.273 50 20 JBGD C[C@H](O)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1829326760 SQQBVZJGOIIUIF-BVZFJXPGSA-N 495.341 -0.187 50 20 JBGD N#Cc1cccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)c1 1830459445 YDYCBNQTDUWTMO-RUZDIDTESA-N 477.326 -0.059 50 20 JBGD CN(CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnc[nH]1)CCO2)NC(=O)NCc1ccccc1 1834106574 ZCDYGRZMOWJYRZ-HSZRJFAPSA-N 485.545 -0.174 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(=O)cco3)CCO2)C1 1834605084 BENLBEDWIFOCJN-OAQYLSRUSA-N 457.443 -0.978 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)[C@H]3CC[C@H]4CCC(=O)N4C3)CC2)CC1)c1ccc(B(O)O)cc1 1834798274 AYZUMBDKQKSDIH-CVDCTZTESA-N 496.417 -0.047 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)c3ccnc(Cl)n3)C2)C1 1835930616 PRTZYOBNGYJSMH-FQEVSTJZSA-N 460.683 -0.806 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1Cc3ccccc3O1)CCO2 1836647496 JBGLMVKJXASIEH-XUZZJYLKSA-N 466.299 -0.560 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc3nc[nH]c3c1)CCO2 1836931356 UKHGSFVQBHLGRZ-HSZRJFAPSA-N 464.287 -0.374 50 20 JBGD CN1CCC(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cnccc4C(=O)NN)CCO3)C2)CC1 1837456506 NQTNWSDGHNMHLX-QFIPXVFZSA-N 460.535 -0.903 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3nnsc3C3CC3)C2)C1 1837457822 SOAREILXSARWBJ-OAQYLSRUSA-N 487.542 -0.202 50 20 JBGD CC(=O)OC[C@H](OC(C)=O)C(=O)N1CCC(OC2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1 1838399636 FRFULUDFPVWYDT-FQEVSTJZSA-N 498.577 -0.147 50 20 JBGD Cc1nccn1CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1840386864 INCAPZRMAIZPDC-QHCPKHFHSA-N 470.335 -0.578 50 20 JBGD O=C(NNS(=O)(=O)c1cccc(S(=O)(=O)NC2CC2)c1)c1ccc(-n2cnnn2)cc1 26226145 YXQIGFYIANYMFI-UHFFFAOYSA-N 463.501 -0.274 50 20 JBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)CCc2nc(O)c3cnn(C)c3n2)cc1 829557524 KDYWTXLKKPHXNC-UHFFFAOYSA-N 461.504 -0.222 50 20 JBGD CCC[C@@H](NC(C)=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2 1783185145 MNPLHDGFXKVOMJ-TXTKFYIRSA-N 459.352 -0.201 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(F)(F)C(F)(F)C(=O)O)[C@H]2C1 1784918386 YAORIRJNMRORCU-SRVKXCTJSA-N 470.420 -0.306 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC[C@H](N)C(N)=O)[C@H]2C1 1786884546 HHENNTCCFVODQE-QXKUPLGCSA-N 490.001 -0.309 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21)c1nc2c(=O)[nH]c3ccccc3n2n1 1788078041 RSQDEXANTDGQGX-APYUEPQZSA-N 474.905 -0.236 50 20 JBGD O=C(Cc1cn2c(nc1=O)SCC2)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1 1796191736 SOSGJLAJQNSZQR-BCDXTJNWSA-N 468.344 -0.477 50 20 JBGD COc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)cc(Cl)n1 1798288093 DKYOLSGYLGXPMA-CCWDJLKJSA-N 459.695 -0.060 50 20 JBGD O=C(Cn1cc([N+](=O)[O-])cn1)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1804418441 GXYANTCSYMMFST-DYESRHJHSA-N 478.274 -0.114 50 20 JBGD Cc1cc(C(=O)NCC(=O)NC[C@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)no1 1810376442 QOCKBHALWCBKRS-XMSQKQJNSA-N 491.313 -0.193 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCSCC3)CCO2)C1 1829711245 UARZPZATQLKOBH-ZRZWOPFXSA-N 492.602 -0.374 50 20 JBGD CCOC(=O)N1CCC(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)CC1 1830737311 CZZBSFQXZLXKQT-OXJNMPFZSA-N 461.943 -0.089 50 20 JBGD Cc1nnc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)s1 1833023336 NDUIPIXYBVHLQI-FQEVSTJZSA-N 468.580 -0.391 50 20 JBGD CC(C)c1nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)co1 1833343161 RRPBWXJENQFSGC-JOCHJYFZSA-N 457.292 -0.138 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnc(OCF)cn1)CCO2 1833573566 IWGMJUQCNCOKMS-HXUWFJFHSA-N 468.486 -0.775 50 20 JBGD CN1CCN(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)CO[Si](C)(C)C)C3)C2)CC1 1835403207 CVFQPQVLWNHZRV-NRFANRHFSA-N 456.660 -0.068 50 20 JBGD CC(=O)Nc1cccc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)n1 1835927093 DYUYPZQUQTXMNC-HSZRJFAPSA-N 482.302 -0.896 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)c3cn4ccccc4n3)C2)C1 1835928581 RWBJVBUIEGTNEP-HSZRJFAPSA-N 464.287 -0.602 50 20 JBGD COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)cc1 1835935331 AYPYGWFGOCXJBE-XMMPIXPASA-N 468.315 -0.312 50 20 JBGD COc1nc(C)ccc1C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835938146 NDMQXEAZFIFFFN-QHCPKHFHSA-N 469.303 -0.538 50 20 JBGD C[C@H](Oc1ccccc1)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835940174 XPJKLCSPEKRDHR-MHECFPHRSA-N 468.315 -0.096 50 20 JBGD CC(C)N[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1)C(C)C 1837457531 IKABSUZEKOHRQQ-CVDCTZTESA-N 476.578 -0.222 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3nn[nH]c3C(F)(F)F)C2)C1 1837459350 DEURIZCIAFBVMH-GOSISDBHSA-N 498.422 -0.794 50 20 JBGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cn4[nH]cnc(=O)c4c3C)CCO2)C1 1838472594 RWHWZENCBFCSHQ-FOIQADDNSA-N 467.910 -0.345 50 20 JBGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cn4[nH]cnc(=O)c4c3C)CCO2)C1 1838472595 RWHWZENCBFCSHQ-MGPUTAFESA-N 467.910 -0.345 50 20 JBGD CS(=O)(=O)c1ccc(CC(=O)N2CC3(CCCN3C(=O)c3ccc(B(O)O)cc3)C2)cc1 1843010904 SWYGOADESKDTBF-UHFFFAOYSA-N 456.329 -0.170 50 20 JBGD Cn1c(=O)n(CC(=O)N2CC3(CCCN3C(=O)c3cnccc3C(=O)NN)C2)c2ccccc21 1844264380 MGQCALKCUBSOIV-UHFFFAOYSA-N 463.498 -0.144 50 20 JBGD COCCn1cnc2c1c(=O)n(CC(=O)NNC(=O)c1cccn1C)c(=O)n2Cc1ccccc1 920474146 XAIXHAVPUZRWFA-UHFFFAOYSA-N 479.497 -0.146 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)c3cc(-c4cccnc4)[nH]n3)C2)C1 1779608961 QNEBRALNUDJYRE-HSZRJFAPSA-N 461.287 -0.091 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)c3cc(-c4ccccn4)[nH]n3)C2)C1 1779627157 AFAGZLYYXNHWRI-HSZRJFAPSA-N 461.287 -0.091 50 20 JBGD O=C(/C=C/C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1)NCc1ccco1 1786983890 DMPAHOHNAMDFOS-FLMXVTCASA-N 481.314 -0.575 50 20 JBGD COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cnccc4C(=O)NN)C[C@@H]32)n1 1787750427 CBQUIIWRFUWQSW-NUTKFTJISA-N 499.484 -0.096 50 20 JBGD O=C1Cc2cc(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)c5cccc(B(O)O)c5)C[C@@H]43)ccc2N1 1788261068 AEHBFJFSVMVERG-LRQRDZAKSA-N 463.299 -0.232 50 20 JBGD CN(CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCC(=O)NC1)NC(=O)NCc1ccccc1 1792583085 IHAXKLJNQGWJGL-VWNVYAMZSA-N 486.573 -0.552 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)[C@@H]1CCc2ccccc2[C@H]1O 1793035191 JTGZFCWCNORNPH-NQDIBGKZSA-N 464.327 -0.134 50 20 JBGD Cc1nn2cc(CC(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)CCC(=O)NN(C)C)C4)nc2s1 1793666292 KGAMMYMLMGFSCI-HBCWATKFSA-N 463.564 -0.396 50 20 JBGD Cn1nc(C(F)(F)F)cc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1798188443 IKIDFOFYCRMKIE-FVCICTRLSA-N 466.225 -0.364 50 20 JBGD O=C(NCC(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)c1cccnc1 1807369703 RZZHKGCGORSVQH-CVDCTZTESA-N 487.325 -0.094 50 20 JBGD Cc1cc(C(=O)N2CCC(N3CCC(NC(=O)c4ccc(B(O)O)cc4)CC3)CC2)n(C)n1 1834797474 MLACOEGJEKCMQH-UHFFFAOYSA-N 453.352 -0.093 50 20 JBGD CCNC(=O)N[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834798622 RNWRDELTPBYYJB-MRXNPFEDSA-N 473.383 -0.741 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)COc3ccc(O)nn3)CC2)CC1)c1ccc(B(O)O)cc1 1834798854 FMJNFMOOYZIENT-UHFFFAOYSA-N 483.334 -0.874 50 20 JBGD CN1CCN(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)CCBr)CCO3)CC1 1834822432 NJZIDZJBWFLEBM-LJQANCHMSA-N 461.401 -0.135 50 20 JBGD O=C(c1cnc2ccoc2c1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835928599 SDFBYAZAARDHJE-HSZRJFAPSA-N 465.271 -0.109 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)c3ccc(Cl)nc3F)C2)C1 1835935648 XCFRHKLBDNFLAU-OAQYLSRUSA-N 477.685 -0.062 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc3c(c1)NC(=O)CO3)CCO2 1836994376 MQGCVOKUVSUSRR-QHCPKHFHSA-N 489.529 -0.540 50 20 JBGD Cn1c(=O)c2c(ncn2CC(=O)N2CCC(OC3CCN(C(=O)[C@@H](F)Cl)CC3)CC2)n(C)c1=O 1837128122 DTNFDUJGKAIUSS-QGZVFWFLSA-N 498.943 -0.033 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccccc3O)C2)C1 1837456076 BZDMCJXJTMWEDY-JOCHJYFZSA-N 455.471 -0.226 50 20 JBGD Cn1cc2cc(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)c3cnccc3C(=O)NN)CCO4)ccc2n1 1837460275 YZZHZSAOSKXJNE-XMMPIXPASA-N 493.524 -0.044 50 20 JBGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nccnc3C(N)=O)C2)C1 1840034579 QGNMEJURAGZNPE-APPDUMDISA-N 456.297 -0.571 50 20 JBGD Cc1nccn1CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCC(=O)NN(C)C)CCO2 1840185580 SKHCFLPMCYFJFW-JOCHJYFZSA-N 464.567 -0.199 50 20 JBGD Cc1ccc(C(=O)NCC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)cc1 1840903922 NMUIFFSFMLZJKG-UWJYYQICSA-N 453.923 -0.219 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1 1840915568 NWQDVEWUIYITIO-PJFSTRORSA-N 480.921 -0.254 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC2(CCCN2C(=O)CN2CCS(=O)(=O)CC2)C1 1841893734 JHKHITVHQFAQFR-PXLXIMEGSA-N 464.548 -0.946 50 20 JBGD CCn1cnc2c1c(=O)n(CC(=O)NNC(=O)c1ccc[n+]([O-])c1)c(=O)n2Cc1ccccc1 16496197 RKSJOVMXSRTESL-UHFFFAOYSA-N 463.454 -0.478 50 20 JBGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)[C@]12CCC(=O)N1CCS2 811914603 NUIOBFVQDRTROT-HXUWFJFHSA-N 482.584 -0.147 50 20 JBGD COC(=O)c1c(S(=O)(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)n[nH]c1C 912522445 UEUYFEDOYVLHKR-UHFFFAOYSA-N 471.517 -0.087 50 20 JBGD COCCCNC(=O)NNC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 920862463 IJUNRMLUTFIEON-UHFFFAOYSA-N 455.537 -0.333 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3nnc4ccccc43)C[C@@H]21)c1ccc(B(O)O)cc1 1786980077 GRJUWOCUNXOVON-MDKPJZGXSA-N 463.303 -0.595 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)C[C@@H]21)c1ccc(B(O)O)cc1 1786981992 VSDQFQFNQSDCKR-GKCIPKSASA-N 469.259 -0.113 50 20 JBGD Cc1cnc2c(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)c5ccc(B(O)O)cc5)C[C@@H]43)cnn2c1 1788335997 PIUFQYUTAFUHNP-VDGAXYAQSA-N 463.303 -0.375 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN1C(=O)Cc3ccccc3C1=O)C2)[C@@H](O)CCl 1792974989 HNDZFJUOPRPJQL-MQJTVSLUSA-N 463.918 -0.209 50 20 JBGD O=C1Nc2c(cccc2C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)C1=O 1795739202 QRRQIFXXEZXUCF-ZSBFGKGUSA-N 463.255 -0.982 50 20 JBGD CN(C)C(=O)c1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)c1 1795740787 GTSFETNLGLCXBA-CEQLMSFQSA-N 465.315 -0.415 50 20 JBGD CCNC(=O)N[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807362258 VCSKWUOAJISQNW-MOXGXCLJSA-N 467.335 -0.211 50 20 JBGD CC(=O)N1CCN(CC(=O)NC[C@H]2CCN(C(=O)CCC(=O)NN(C)C)[C@@H]2c2cccnc2)CC1 1809678548 NPCNGUPYYAUHAI-HYBUGGRVSA-N 487.605 -0.376 50 20 JBGD Nc1c(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)sc2nccnc12 1835928786 ZOBVHQDTEAWPRL-JOCHJYFZSA-N 497.342 -0.663 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)c3ccccc3)C2)C1 1835929618 YULQOQATQFOIHF-OFNKIYASSA-N 454.288 -0.830 50 20 JBGD Cc1nccn1[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835934157 NFPHTIHBADYMAI-ZHRRBRCNSA-N 456.308 -0.797 50 20 JBGD NC(=O)[C@H](N)CCC(=O)N1CCC(N2CCC(NC(=O)[C@@H](F)Br)CC2)CC1 1836412776 UNYIYGZSGJERII-UKRRQHHQSA-N 450.353 -0.159 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc3ncccn3n1)CCO2 1836870049 IHYDLROSWGFPDZ-LRULAXNGSA-N 494.512 -0.067 50 20 JBGD CCN(CC)C[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1839676666 SJXQNUULNXAKNZ-FDDCHVKYSA-N 461.368 -0.586 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc4ccccn34)C2)C1 1840184389 JMGWMEQWIDOUIK-JOCHJYFZSA-N 458.519 -0.223 50 20 JBGD Cc1nccn1[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1840490819 MXNKEYHUQOVFTC-AOMKIAJQSA-N 456.308 -0.797 50 20 JBGD C[C@@H]1CN(CCC(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)C[C@@H](C)O1 912920837 DZLSGNYPLWYKSD-HZPDHXFCSA-N 454.549 -0.032 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)COC(=O)C(F)(F)F)C2)C1 1778892592 FOXQGFRGGWQXEQ-KRWDZBQOSA-N 459.381 -0.766 50 20 JBGD CC[S@](=O)CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnccc2C(=O)NN)C1 1779372217 CBBJNEBKMLAIHV-SHNLADLASA-N 465.576 -0.029 50 20 JBGD CN(CC(=O)N1CCO[C@]2(CCN(C(=O)c3ccnnc3O)C2)C1)NC(=O)NCc1ccccc1 1779919255 GYEBCCBTSFAEMO-HSZRJFAPSA-N 483.529 -0.028 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=O)c3cccs3)C[C@@H]21)c1ccc(B(O)O)cc1 1786980082 HAOJKENRVLJBRG-SZMVWBNQSA-N 471.344 -0.549 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc4nc(CO)[nH]c4c3)[C@H]2C1 1787874988 VWVJTQQGDCVVKQ-VHFSOBRXSA-N 493.524 -0.039 50 20 JBGD O=C(/C=C/c1ccc([N+](=O)[O-])o1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1793107461 KMRXITNKAIGLTE-KSFLNHNRSA-N 455.232 -0.216 50 20 JBGD Cn1c(=O)c2c(ncn2CC(=O)N2CCC(N3CCC(NC(=O)[C@H](F)Cl)CC3)CC2)n(C)c1=O 1835078842 YMXTVLNABRWUJW-KRWDZBQOSA-N 497.959 -0.460 50 20 JBGD CN(C)C(=O)NCC(=O)N1CCC(N2CCC(NC(=O)c3cnccc3C(=O)NN)CC2)CC1 1835734461 KGBMGUIZKGVQNP-UHFFFAOYSA-N 474.566 -0.859 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCc4ccoc4C3)C2)C1 1835925925 AXZPAJVUKWQHLZ-NTKDMRAZSA-N 468.315 -0.166 50 20 JBGD CC(=O)O[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1)C(C)C 1835930558 NBEBILYKMRJSKK-SIKLNZKXSA-N 462.308 -0.976 50 20 JBGD Cc1nc2sccn2c1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835937992 DMVYFCMQHHARSA-JOCHJYFZSA-N 484.343 -0.232 50 20 JBGD CN(CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnn3C)C2)C1)NC(=O)NCc1ccccc1 1839054010 BLEXVDGLRYSQBH-DEOSSOPVSA-N 499.572 -0.164 50 20 JBGD CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1839387734 SEVZAKLQZDYHTA-QFSBIZTOSA-N 484.319 -0.024 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)O)CCO2 1840025839 QYYNXOZJYGMEPQ-RNODOKPDSA-N 451.432 -0.029 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CC2(CCCN2C(=O)CN2CC(=O)NC2=O)C1 1841891872 ROBMQIGQWDSRPL-UHFFFAOYSA-N 459.415 -0.111 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc(B(O)O)cc1 1847639940 XSXNXTAPJBPADG-BZSNNMDCSA-N 461.324 -0.543 50 20 JBGD C[C@H](CO)NS(=O)(=O)c1ccc(C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1 728328487 VARXRYAWKRAQSS-FZKQIMNGSA-N 493.494 -0.510 50 20 JBGD C[C@H](NC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1)[C@@H](C)N1CCOCC1 729623654 NWESBFOOIRUNBL-JKSUJKDBSA-N 455.585 -0.247 50 20 JBGD O=C(CS(=O)(=O)Nc1ccc(N2CCCCC2)cc1)NNC(=O)N[C@H]1CCS(=O)(=O)C1 743884244 CGUHMDGJMOQURM-HNNXBMFYSA-N 473.577 -0.064 50 20 JBGD CN(CC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)S(=O)(=O)c1cccnc1 915128441 AVRVQUCDNKIWOI-UHFFFAOYSA-N 497.555 -0.816 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@]2(CN(C(=O)C[C@H]3NC(=O)NC3=O)CCO2)C1 1780095048 CKQLJRYADJHCPE-VFNWGFHPSA-N 489.441 -0.438 50 20 JBGD COCc1oncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21 1787721868 MVNRNUMPODBFBA-ZLIFDBKOSA-N 458.475 -0.273 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3cnccn3)C[C@@H]21 1788611190 NEOKMZGUHNZSFH-RHXIJFNCSA-N 451.487 -0.218 50 20 JBGD CN(CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CNC(=O)C3)[C@H]2C1)NC(=O)NCc1ccccc1 1790860404 XRAYUMFLTMAKBA-MUGJNUQGSA-N 486.573 -0.552 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCN1CCOCC1 1795471530 FRTCWCLNCKGXQU-ODRBZYGGSA-N 460.535 -0.568 50 20 JBGD CC[C@@H](NC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN(C)NC(=O)NCc1ccccc1)C2 1795725322 SENWJIWAWUPBJT-RCLSDMTESA-N 460.579 -0.080 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(F)c1[N+](=O)[O-])C2)c1ccc(B(O)O)cc1 1795736261 SMNIOZDCGLADIG-ZSBFGKGUSA-N 457.223 -0.069 50 20 JBGD Cn1ncc(I)c1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2 1796746414 RQMJDGVRYJGZTB-RBLKWDMZSA-N 482.706 -0.172 50 20 JBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c(Br)cnn1C)C2 1801011678 YLQCVPHUGKKSOU-DRXBFXEBSA-N 471.356 -0.241 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)CNCP(=O)(O)O)[C@@H]1c1cccnc1 1813070817 LEJAGNQTQHCPIS-HNAYVOBHSA-N 470.467 -0.815 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCC([C@H]2CCCCN2C(=O)CNCP(=O)(O)O)CC1 1826803338 ZACPVQGSYUTZLI-GOSISDBHSA-N 467.268 -0.676 50 20 JBGD O=C(C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1)c1ccc(Cl)cc1 1830685088 IAYGNKNFWZNZFQ-QHCPKHFHSA-N 486.717 -0.027 50 20 JBGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CCNC(=O)c3ccc[nH]3)CCO2)C1 1832881776 SFZJBEVKXIUJND-FOIQADDNSA-N 456.927 -0.155 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCC(N2CCC(NC(=O)[C@@H]3CNC(=O)O3)CC2)CC1 1833513653 DBMOKZZGOXISHA-NEOOYVHHSA-N 473.534 -0.200 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCC(N2CCC(NC(=O)c3cc(O)ncn3)CC2)CC1 1833554683 RLSWNLZMGIQJLR-UHFFFAOYSA-N 468.518 -0.320 50 20 JBGD C[C@@](O)(CC(=O)O)CC(=O)N1CCOC[C@]2(CN(C(=O)CCBr)CCO2)C1 1834826819 XKTOPFLTWUCKBU-IRXDYDNUSA-N 451.314 -0.156 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCC(N2CCC(NC(=O)Cn3cncn3)CC2)CC1 1834871761 XVVMOJIDICGGLF-JVWAILMASA-N 469.550 -0.016 50 20 JBGD CC(C)N[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1)C(C)C 1835935865 VEFVGJWCYRGJED-NFBKMPQASA-N 461.368 -0.541 50 20 JBGD C[C@H](Nc1cccnc1)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837457442 BWDMDBHPRKBSMH-HJPURHCSSA-N 483.529 -0.349 50 20 JBGD O=C(c1ccc(-n2c(O)nnc2O)cc1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1838604394 NTPIBDBNAHRPMM-YWZLYKJASA-N 481.893 -0.652 50 20 JBGD CN1CCC[C@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)C1 1839066629 NXPRLJPZVCCTSP-AOMKIAJQSA-N 460.535 -0.903 50 20 JBGD Cc1n[nH]c(C)c1CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1839240777 UPTWJZFCBNHWFN-QFIPXVFZSA-N 471.518 -0.662 50 20 JBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)NC(=O)c3cnccn3)C2)C1 1840153541 SDLRDLRDWHLPCG-AUSJPIAWSA-N 469.926 -0.695 50 20 JBGD C[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(=O)C(F)(F)F)CCO2)C1 1840203771 RFCVHIQYDKQTCO-YGRLFVJLSA-N 460.247 -0.095 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CC2(CCCN2C(=O)[C@@H](O)N2CCOCC2)C1 1844294429 OFVGTCGLYPUCRB-GOEBONIOSA-N 460.959 -0.028 50 20 JBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NCCc3cccc(C(N)=O)c3)nc2)CC1 726717994 HZWHKQNGEAOHMO-UHFFFAOYSA-N 461.548 -0.015 50 20 JBGD O=C(NCCCn1nc2n(c1=O)CCCC2)NNC(=O)c1csc(N2CCOCC2)n1 916649546 GTEMQRSZUPYSCK-UHFFFAOYSA-N 450.525 -0.292 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3ON=C(c4ccccc4)O3)C2)C1 1778873659 SYESPIVTSIQVNN-DHIUTWEWSA-N 480.481 -0.137 50 20 JBGD Cc1cc(C(=O)N2CCO[C@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)nc2nccn12 1779037093 NPGUUDHQMWFJOI-QFIPXVFZSA-N 464.486 -0.206 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCc2nc(N)n[nH]2)C1 1779244871 LQECKIDLQUYQMB-QVKFZJNVSA-N 471.522 -0.854 50 20 JBGD COC(=O)[C@@H]1CC=CC[C@H]1C(=O)N1CC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1783850569 GNASBTLLYQNCTB-DNVFCKCGSA-N 456.304 -0.435 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)CN(C)C(=O)c1ccccc1)CCO2 1783933795 YMTFHJPJXJWWDT-QHCPKHFHSA-N 459.547 -0.039 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]2C1 1784096687 JVKIHYWPNQXUNJ-YTFOTSKYSA-N 476.958 -0.666 50 20 JBGD CS(=O)(=O)c1ccc(C(=O)N2CC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)cc1F 1785225278 ISPUQXLUDPMTLU-JOCHJYFZSA-N 490.318 -0.334 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCN3CCOCC3)[C@H]2C1 1786746213 TVFKKFVHLMWEOF-SNRMKQJTSA-N 460.535 -0.999 50 20 JBGD CC(=O)N1CCN(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCBr)C[C@@H]32)CC1 1788246008 PWHWRQXGOOSVSB-ULQDDVLXSA-N 459.385 -0.085 50 20 JBGD NC(=O)c1ccccc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1790127919 RCOGVPBTBYYCCZ-YSSFQJQWSA-N 451.288 -0.628 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc2c(c1)OCO2 1795313184 OTHZHCMXKFXFLM-USGNIVHTSA-N 467.482 -0.140 50 20 JBGD CC(C)(C)OC(=O)NCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1800672840 JERUCSTZHLLGMC-FVCICTRLSA-N 462.507 -0.587 50 20 JBGD CC(C)CNC(=O)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1808443932 NWUQCHZYTGUNLN-AZUAARDMSA-N 452.320 -0.147 50 20 JBGD CC(C)(C)OC(=O)N1CC(=O)C[C@H]1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830719477 DJBHVJMTVOXUFD-CKJXQJPGSA-N 489.953 -0.379 50 20 JBGD Cn1c(=O)n(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)c2ccccc21 1830730639 CKZKGHZBIMHQME-UTKZUKDTSA-N 466.922 -0.604 50 20 JBGD Cc1cccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)n1 1830917802 RAIFLSVEFYFYGB-HSZRJFAPSA-N 453.304 -0.617 50 20 JBGD CC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCS(=O)(=O)CC3)CCO2)C1 1832487236 DDAOMQVGKNJFLZ-QAPCUYQASA-N 451.973 -0.809 50 20 JBGD N#Cc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)cc1 1835926214 INXZJLGRNFPILN-DEOSSOPVSA-N 463.299 -0.449 50 20 JBGD N#Cc1ccc(F)c(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)c1 1835932308 YPQIVKWMXPQMHC-HSZRJFAPSA-N 467.262 -0.239 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)c3ccn(C(F)F)n3)C2)C1 1835937945 BWHIPDIBTVDYJK-HXUWFJFHSA-N 464.234 -0.658 50 20 JBGD COCc1c[nH]c(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)c1 1835938089 KFYPLZQCEZVPIK-JOCHJYFZSA-N 457.292 -0.775 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cnc4ccccc43)CCO2)C1 1840102000 AIXCUVHCTUVJRQ-XMMPIXPASA-N 493.524 -0.195 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccc(O)cc3)C2)C1 1840183042 OKNGCDYYFPEFNX-QFIPXVFZSA-N 464.519 -0.400 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1840186707 CUQHKAFSZBIDAO-QHCPKHFHSA-N 473.530 -0.234 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC2(CCCN2C(=O)CN(C)NC(=O)NCc2ccccc2)C1 1845039312 DQSIWZRVYVRLQC-UHFFFAOYSA-N 473.578 -0.091 50 20 JBGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)NNC(=O)CN2CCCC2=O)c1 726717521 YSDKPLQWCDIGNO-UHFFFAOYSA-N 453.521 -0.783 50 20 JBGD O=C(NCCS(=O)(=O)N1CCN(c2ccccn2)CC1)NNC(=O)c1ccc2c(c1)OCCO2 916516640 MKIXRRURNUQPGH-UHFFFAOYSA-N 490.542 -0.051 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cnc3c(c1)CCNCC3)CCO2 1783936408 GZVQBUANAYZHJV-QHCPKHFHSA-N 458.563 -0.414 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(-n4c(O)nnc4O)cc3)C[C@@H]21)[C@@H](O)CCl 1784091573 XWPLHYWVSDUAAQ-TUUVXOQKSA-N 465.894 -0.129 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)CS(C)(=O)=O)[C@H]2C1 1784516758 BUBUEBPUCAAQDA-XPSVRQCTSA-N 481.575 -0.219 50 20 JBGD CN[C@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C(C)=N/NC(=O)c3ccc[nH]3)[C@H]2C1)C(=O)O 1787508808 JXHTXHYKWDPJCY-RRNDHEJESA-N 462.507 -0.837 50 20 JBGD COCCn1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]3C2)n1 1791291429 VADUPGZINPXBFZ-BQFCYCMXSA-N 450.540 -0.504 50 20 JBGD CN(C)C(=O)NCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](CCl)NC(=O)OC(C)(C)C)C2 1792625255 POONJOLUEURQTP-FQLMCAECSA-N 475.974 -0.021 50 20 JBGD CN(CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(=O)n1O)NC(=O)NCc1ccccc1 1794360256 YCLGAOZTHQUEGQ-OPMZPASUSA-N 498.540 -0.365 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1cc(F)cc([N+](=O)[O-])c1 1799628401 KNRSTCVQFFKOBX-CCWDJLKJSA-N 457.223 -0.069 50 20 JBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(Cl)c3nncn3c1)C2 1801011224 BQCMUNRBDMTBBY-ZSBFGKGUSA-N 463.926 -0.041 50 20 JBGD O=C1CC[C@@H](C(=O)N2CSC[C@@H]2C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C(Cl)Cl)N1 1801016670 LDMCFQPOKMYBDZ-XJGUIPMBSA-N 479.386 -0.440 50 20 JBGD C[C@H](Oc1cccnc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1801401358 CVMFNVCXRGPICX-ZTENYAIWSA-N 454.487 -0.249 50 20 JBGD O=C(NCC(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1)c1cccnc1 1807364552 STYBHWNPBYDNNR-AUSIDOKSSA-N 487.325 -0.094 50 20 JBGD CCNC(=S)NCC(=O)NC[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1 1812333950 VCANFOXSJZLLKK-JXFKEZNVSA-N 463.608 -0.056 50 20 JBGD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1)c1cc2n(n1)CCNC2=O 1816624483 UAQJQGSDZCRXCK-QGZVFWFLSA-N 477.290 -0.351 50 20 JBGD COC(=O)[C@@H]1CC[C@@H](C(=O)N2CCO[C@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)C1 1830719347 XMFFZXAQLBXEFC-YVHKJVDXSA-N 468.551 -0.595 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC1CCN(C2CCN(C(=O)CN3C(=O)C=CC3=O)CC2)CC1 1835118095 PJLDQAMPEAKDOQ-JVWAILMASA-N 497.556 -0.383 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)c3nccc4[nH]ccc34)C2)C1 1835928705 WDGJIXXDZXZWRC-HSZRJFAPSA-N 464.287 -0.374 50 20 JBGD Cc1ccccc1OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835929491 RBOMGIMSHBZZGK-XMMPIXPASA-N 468.315 -0.176 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)c3cc(-n4ccnc4)ccn3)C2)C1 1835930999 BWRKGECCBINATL-DEOSSOPVSA-N 491.313 -0.669 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)c3cc4ccccn4n3)C2)C1 1835937481 ZFWCDGISVPAPPP-HSZRJFAPSA-N 464.287 -0.602 50 20 JBGD CC(=O)N[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1)C(C)(C)C 1837456976 UQLRRFKOVPJJCQ-FDDCHVKYSA-N 490.561 -0.694 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc4nc[nH]c34)C2)C1 1837457784 RKTVPWNBJRUITH-HSZRJFAPSA-N 479.497 -0.055 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cncc(O)c3)CCO2)C1 1840062486 VTJXHWWOQVQODT-OAQYLSRUSA-N 456.459 -0.831 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)c2n[nH]cc2I)C1 1844466250 ZKNQNJYRDARHGF-UHFFFAOYSA-N 480.071 -0.175 50 20 JBGD CC(=O)N[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1)C(C)(C)C 1786978601 BXSVIPDXTJFMKX-LEAZDLGRSA-N 459.352 -0.490 50 20 JBGD N#Cc1ccccc1OCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786986791 HAUUUUDRWGECEB-VCOUNFBDSA-N 463.299 -0.090 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCC(=O)NC3)C[C@@H]21 1787507018 FBKOAOPFCBVLJY-MMGYIDLSSA-N 458.519 -0.374 50 20 JBGD CN(CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCSC(=N)N)NC(=O)NCc1ccccc1 1795588157 YMFOJBWWECBTPD-XEMDLRDOSA-N 491.618 -0.061 50 20 JBGD O=C(CS(=O)(=O)N1CCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCBr)C2 1796437538 HKPMQAHOSLWHFJ-YWVIFJGQSA-N 452.371 -0.213 50 20 JBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(-n2c(O)nnc2O)cc1)c1cccc(B(O)O)c1 1799309911 CEJLIUJQIBWGCT-GGPHIMKMSA-N 477.286 -0.076 50 20 JBGD O=C(O)c1cc(C(=O)NC[C@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)ncn1 1804966720 NMCGBAHNOMWAMF-OXQOHEQNSA-N 475.270 -0.117 50 20 JBGD O=C(NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)c1cc(=O)n2[nH]cnc2n1 1807352377 FWRGSFJWPZENBD-OXQOHEQNSA-N 487.285 -0.874 50 20 JBGD O=C(C(O)O)N1CC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCN2C(=O)OCc1ccccc1 1828548662 NSTRQVVTQPRRHJ-FOIQADDNSA-N 455.895 -0.651 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CC(c3ccccc3)=NO1)CCO2 1831254452 JOPLKVFPNMZDHP-RCZVLFRGSA-N 493.325 -0.370 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CC(=O)N(C3CCCC3)C1)CCO2 1832358195 WPUMMUNONMDVOO-CLOONOSVSA-N 499.373 -0.773 50 20 JBGD C[Si](C)(C)OCC(=O)N1CCC(N2CCC(NC(=O)CN3CC(=O)NC3=O)CC2)CC1 1833712156 KZVVLYGGZNPMJH-UHFFFAOYSA-N 453.616 -0.039 50 20 JBGD NC(=O)[C@H](N)CCC(=O)NC1CCN(C2CCN(C(=O)[C@H](F)Br)CC2)CC1 1834734964 GSRRNDYIKVLUKS-HIFRSBDPSA-N 450.353 -0.159 50 20 JBGD Cc1cnn(CC(=O)N2CCC(N3CCC(NC(=O)c4cccc(B(O)O)c4)CC3)CC2)c1 1834800216 YUSZOCAKKDEPSL-UHFFFAOYSA-N 453.352 -0.243 50 20 JBGD N#C/C(=C\c1ccc(F)cc1F)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](N)CCC(N)=O)CCO2 1835564422 MQLTZRJIXKWTOE-ZGOLIUOYSA-N 491.495 -0.079 50 20 JBGD O=C(c1ccc2c(c1)OCO2)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835928382 NHYFHDYOFHMKTM-QHCPKHFHSA-N 468.271 -0.521 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)c3cccc4nccn34)C2)C1 1835931786 CLBMASWKPREYGC-QHCPKHFHSA-N 464.287 -0.602 50 20 JBGD CC(C)(C)OC(=O)CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835934268 RZRJZSVAUWMPNV-XMMPIXPASA-N 490.362 -0.052 50 20 JBGD CC(C)Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)n(C)n1 1836337286 WIJVZUQPCVAJEL-DEOSSOPVSA-N 484.362 -0.318 50 20 JBGD O=C1NC(=O)[C@H](CC(=O)N2CCC(N3CCC(NC(=O)[C@@H](F)Br)CC3)CC2)N1 1836414010 UDYIXJRLEYSRTG-GXTWGEPZSA-N 462.320 -0.153 50 20 JBGD CN(C)c1ncc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)o1 1837457223 YFZLVDQAKMCBTC-OAQYLSRUSA-N 473.490 -0.877 50 20 JBGD CN(CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc[nH]n3)C2)C1)NC(=O)NCc1ccccc1 1839054394 WTJUQKYOMQKVER-HSZRJFAPSA-N 485.545 -0.174 50 20 JBGD N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)c5cccc(B(O)O)c5)C4)C3)c2c1 1839487669 DSNOKWSBFIUJCL-XMMPIXPASA-N 489.297 -0.502 50 20 JBGD COc1ccnc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)c1OC 1840185604 PYLKEDKITAYYEA-JOCHJYFZSA-N 479.534 -0.458 50 20 JBGD CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCOC[C@]2(CN(C(=O)C(Cl)Cl)CCO2)C1 1840190956 XHDUUCFOUILBFF-RDTXWAMCSA-N 462.334 -0.283 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)C1Cc3ccccc3C1)CCO2 1840942933 WCXIHLIXXBHPKA-VWLOTQADSA-N 464.327 -0.149 50 20 JBGD CC(=NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 729816211 HVTLHXQAVDHJOM-CYBMUJFWSA-N 451.548 -0.313 50 20 JBGD C#CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c1 753655676 UKNNKDYOSPKGLN-SFHVURJKSA-N 473.463 -0.258 50 20 JBGD CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NNC(=O)CCN3C[C@@H](C)O[C@H](C)C3)c2)CC1 912920145 VXUCSUCAGMSOOG-IAGOWNOFSA-N 495.602 -0.200 50 20 JBGD CN(C)S(=O)(=O)c1ccc(S(=O)(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cc1 916105825 LUWQPTYYOKZXGN-UHFFFAOYSA-N 451.490 -0.464 50 20 JBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)c3cn(CC(=O)N(C)C)nn3)cc2)CC1 1321519413 LQPPQTKNKKWPBW-UHFFFAOYSA-N 450.525 -0.941 50 20 JBGD CN(CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2)NC(=O)NCc1ccccc1 1780969424 LSZHTTZMZAUYCV-UTKZUKDTSA-N 467.954 -0.238 50 20 JBGD CC(C)(C)OC(=O)N1C[C@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H](O)CCl)C[C@@H]32)[C@@H](O)C1 1789809180 YHWVHYCSUCGWKA-LTAJLKHCSA-N 475.970 -0.206 50 20 JBGD COc1ccc([C@@H](O)C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)cc1 1797748133 JIKZBUZOIODIQX-HRYATBACSA-N 469.498 -0.370 50 20 JBGD C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797753953 FTVAOSVPYWQOKH-VWPFQQQWSA-N 476.534 -0.199 50 20 JBGD CC[C@@H](NC(C)=O)C(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1802879486 GJRHQUNOUBMSAM-NRSPTQNISA-N 452.320 -0.004 50 20 JBGD O=C(NC[C@@H]1CCN(C(=O)CN2CCOC2=O)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807363441 DTXROLHFQCVMII-PXNSSMCTSA-N 452.276 -0.467 50 20 JBGD O=C(NC[C@@H]1CCN(C(=O)CN2CCCC2=O)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807371071 PBRFSPPGHYTSBO-AVRDEDQJSA-N 450.304 -0.297 50 20 JBGD CCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)cn1 1833888788 YFUNZEQLWOWFTP-HSZRJFAPSA-N 453.304 -0.292 50 20 JBGD Cc1cc(C(=O)NC2CCN(C3CCN(C(=O)c4cccc(B(O)O)c4)CC3)CC2)nn1C 1834171616 CHZRWCXQQBHXBF-UHFFFAOYSA-N 453.352 -0.093 50 20 JBGD C[C@@H](Nc1cccnc1)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1835689259 APLSJQUDWXGSGK-WAIKUNEKSA-N 483.529 -0.349 50 20 JBGD COC[C@H](NC(C)=O)C(=O)N1CCC(N2CCC(NC(=O)c3cnccc3C(=O)NN)CC2)CC1 1835738043 RDZWBPHGQMTCDR-FQEVSTJZSA-N 489.577 -0.979 50 20 JBGD C[C@H](Nc1cccnc1)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835928407 OEYGGFJOFSQBGS-SBUREZEXSA-N 468.319 -0.668 50 20 JBGD C[C@@H](Nc1ccccc1)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835930514 KYDKGGQVICJSSL-KOSHJBKYSA-N 467.331 -0.063 50 20 JBGD CN(C)c1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)cc1 1838962300 NFNRMFYRIZWSHV-XMMPIXPASA-N 467.331 -0.184 50 20 JBGD C[C@@](Cl)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1839151936 INGNCYMUSSTHIL-MOPGFXCFSA-N 459.135 -0.327 50 20 JBGD CC(=O)N/C(=C\c1ccco1)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1839390800 JUMPDALPSWTMBR-FYVGXUMQSA-N 491.545 -0.414 50 20 JBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cncc(S(C)(=O)=O)c3)C2)C1 1840151228 YFQOMSCRMDYGGP-LPHOPBHVSA-N 475.951 -0.191 50 20 JBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)C2)C1 1840151365 ZKQQZGWLMDUARP-MRUHUIDDSA-N 493.985 -0.028 50 20 JBGD C[C@H](CNC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840182819 VMHGXRYREKAWAR-UZUQRXQVSA-N 499.609 -0.023 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(OCF)cn3)C2)C1 1840183492 HQSWFIOXKMBHKV-FQEVSTJZSA-N 468.486 -0.775 50 20 JBGD CCOC(=O)C1(C(=O)N2CCOC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)CC1 1840184956 IAZRHCBWKWEGCF-HXUWFJFHSA-N 454.524 -0.841 50 20 JBGD C[C@@H](Cc1ccccn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1840331659 CPQOCRFSYVWGFG-UUOWRZLLSA-N 467.331 -0.290 50 20 JBGD Cc1ncc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)s1 1840401242 UCURYZWSJQGHSK-HXUWFJFHSA-N 453.565 -0.177 50 20 JBGD Cc1c(C(=O)N2CCCC23CN(C(=O)c2cnccc2C(=O)NN)C3)cn2[nH]cnc(=O)c12 1844656478 WIDHVOUBLYSNRV-UHFFFAOYSA-N 450.459 -0.540 50 20 JBGD CCN(CC)S(=O)(=O)c1ccc(NCCOC)c(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)c1 728389780 ZCJILRBAIMGUCO-CQSZACIVSA-N 490.604 -0.029 50 20 JBGD O=C(NNC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1)c1cccc(S(=O)(=O)N2CCCC2)c1 746386428 SELLGUFGQCINQL-SFHVURJKSA-N 493.586 -0.587 50 20 JBGD CCn1nc(C(=O)NNC(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)c2ccccc2c1=O 914457240 OWSPPWADJFMYQL-STQMWFEESA-N 461.500 -0.787 50 20 JBGD CC(=O)N[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1)C(C)(C)C 1791287935 FBQWLDFQNDLUJT-BOSXTWCSSA-N 453.584 -0.110 50 20 JBGD CN1CC(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CN(C)NC(=O)NCc2ccccc2)C1 1799099453 XTVIMMADHZLVLR-CEQLMSFQSA-N 458.563 -0.516 50 20 JBGD Cc1c(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cnccc2C(=O)NN)C3)cn2[nH]cnc(=O)c12 1799149313 KZVKWTIDZJNJIA-BTTYYORXSA-N 464.486 -0.105 50 20 JBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2 1801014017 AGUUZQQBLXDUIW-STJCLTBPSA-N 462.503 -0.221 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)[C@H]1c1cccnc1 1808408195 HCBFVDPPYOKVTF-WIXFQWRUSA-N 494.512 -0.181 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)c2nccnc2C(N)=O)[C@@H]1c1cccnc1 1811189223 TWIXACGSZHEVLI-QRWLVFNGSA-N 468.518 -0.337 50 20 JBGD Cc1cn(CC(=O)NC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)c(=O)nc1O 1814038945 IQMNKQQSRKQTAW-RXVVDRJESA-N 491.313 -0.648 50 20 JBGD CN1CCN(CC(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(B(O)O)cc3)[nH]n2)CC1 1818911627 DRDOFBJYRBMKET-IBGZPJMESA-N 454.340 -0.357 50 20 JBGD COC[C@H](NC(C)=O)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cccc(B(O)O)c1)CC2 1820185274 GSKRTPKQVWHKOQ-ZBFHGGJFSA-N 460.321 -0.800 50 20 JBGD O=C(Cn1ccncc1=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cccc(B(O)O)c1)CC2 1824531492 FWEIFYVFZOZNHJ-CQSZACIVSA-N 453.289 -0.694 50 20 JBGD O=C(N[C@@H]1CCc2nc(NC(=O)[C@@H]3CCCS3(=O)=O)sc2C1)c1cccc(B(O)O)c1 1824926981 BNKHMHIEDHDURK-CJNGLKHVSA-N 463.346 -0.374 50 20 JBGD NC(=O)NCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@@H](O)CCl)C2)C1 1829471560 LRXYWWNWDNNWRZ-KKSFZXQISA-N 481.937 -0.294 50 20 JBGD CS(=O)(=O)Cc1ncccc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1833564209 VCWAKBCNBGMCFL-QFBILLFUSA-N 475.951 -0.704 50 20 JBGD Cc1ccn(CC(=O)N2CCC(N3CCC(NC(=O)c4ccc(B(O)O)cc4)CC3)CC2)n1 1834797268 AWGGVJWPIFOULA-UHFFFAOYSA-N 453.352 -0.243 50 20 JBGD C[C@@H](Nc1cccnc1)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1835695702 KIXVQMYZDGEUSS-VGSWGCGISA-N 462.551 -0.289 50 20 JBGD Cn1ncc2c(C(=O)N3CCOC[C@@]4(CN(C(=O)c5ccc(B(O)O)cc5)CCO4)C3)cccc21 1835930200 AUKPLLXZWMKBTO-XMMPIXPASA-N 478.314 -0.363 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1nc(O)n3c1CCCC3)CCO2 1837757325 RKQVGPFNEOPPMC-HSZRJFAPSA-N 499.528 -0.693 50 20 JBGD O=C(c1n[nH]cc1I)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1837963588 QWZDIPMIJUCVCA-ABAIWWIYSA-N 498.705 -0.316 50 20 JBGD CN(C)c1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)c1 1838924275 LIVWHORRZDGUFL-DEOSSOPVSA-N 467.331 -0.184 50 20 JBGD CN(C)CC(=O)N1CCOC[C@]2(C1)CN(C(=O)CN(C)NC(=O)NCc1ccccc1)CCO2 1839054367 VVNNEAVDQKYSDL-QHCPKHFHSA-N 476.578 -0.649 50 20 JBGD CCOc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)c1O 1839426189 GNTCDGXPOGNNCC-DEOSSOPVSA-N 484.314 -0.146 50 20 JBGD O=C(/C=C/c1cccc(O)c1)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1839924889 MYRSYPQCYZOCEY-VNXRSIPHSA-N 466.299 -0.145 50 20 JBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CNC(=O)OC(C)(C)C)C2)C1 1840149340 MAJIEWVGLOBGGT-AVYPCKFXSA-N 479.958 -0.418 50 20 JBGD COc1ccc(COCC(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)cc1 1840253786 ILIOKKCIGYSDSA-RUZDIDTESA-N 498.341 -0.338 50 20 JBGD N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1840819113 PEOFHFOVXCKRCY-DEOSSOPVSA-N 479.298 -0.613 50 20 JBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)CNS(=O)(=O)c2ccccc2F)c1 913465160 JNHSGPICFMXOAA-UHFFFAOYSA-N 458.493 -0.185 50 20 JBGD O=C(CCNS(=O)(=O)c1ccc2c(c1)OCCCO2)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 919884690 KIYVZHORNAXYIS-GFCCVEGCSA-N 476.533 -0.966 50 20 JBGD CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 919885998 SNYCBSDEGLFZTB-JSGCOSHPSA-N 471.561 -0.343 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCN1CCOC1=O)C2 1779372627 PMMYPWYTBKBRRM-VGOFRKELSA-N 474.518 -0.345 50 20 JBGD CC(=O)NCC(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1 1788611758 ZKUWCXJGJOALFN-WBAXXEDZSA-N 460.535 -0.559 50 20 JBGD COc1ccc(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)cn1 1793893756 SSPVMBSCKHNNBT-VPTLXERWSA-N 468.514 -0.075 50 20 JBGD O=C(CN1CCc2sccc2C1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1793897541 WYSSLEKBMRHXSV-OPMZPASUSA-N 469.372 -0.311 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1cnn(-c2cccnc2)c1 1794443441 RCWXAVXIVXBXOM-RMFSNUHRSA-N 461.287 -0.536 50 20 JBGD C[C@H](CNC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795737746 PJFFGEHGMWOLIA-VYCZESIESA-N 475.351 -0.270 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1 1796191038 QZHJOMXFVMOPBA-ZHPMUERVSA-N 451.292 -0.248 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)[C@@H]1[C@@H](O)CCN1Cc1ccccc1 1800298621 ZQVKPQCHIDJGTG-IOXZRWQCSA-N 493.369 -0.795 50 20 JBGD CC(=O)NC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1803591504 GVJOHMOKCFJSMJ-QUCCMNQESA-N 452.320 -0.004 50 20 JBGD CC(=O)OC[C@H](OC(C)=O)C(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807373550 BNWYSQZAYJEQSK-HJNYFJLDSA-N 497.313 -0.424 50 20 JBGD O=C(CSc1nc[nH]n1)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1813343861 BEFFVDCPPDMFAG-APWZRJJASA-N 466.332 -0.009 50 20 JBGD CN1CCN(CCC(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2cccc(B(O)O)c2)CC3)CC1 1814578070 QVDJXWXLLYDSHU-QGZVFWFLSA-N 471.392 -0.314 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CC(=O)N(C3CCCC3)C1)CCO2 1832359086 AOXBGGHDVSDWHV-KOSHJBKYSA-N 493.605 -0.393 50 20 JBGD CN(C)c1cncc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)c1 1833361145 KMRAYNZEOVOUIJ-QHCPKHFHSA-N 468.319 -0.789 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCC(N2CCC(NC(=O)c3cccn4c(O)nnc34)CC2)CC1 1835043866 FMZOTXURMATPEP-UHFFFAOYSA-N 486.577 -0.007 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC1CCN(C2CCN(C(=O)C#CC(=O)O)CC2)CC1 1835118258 WTUVBFQPMBNXJV-MFKUBSTISA-N 456.503 -0.220 50 20 JBGD CN1C(=O)CC[C@H]1C(=O)N1CCC(N2CCC(NC(=O)c3cnccc3C(=O)NN)CC2)CC1 1835738305 ULZRXOWAAWNQHI-IBGZPJMESA-N 471.562 -0.509 50 20 JBGD C[C@@H](Cc1ccncc1)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835932324 ZJSXBIDFZSGRDN-MHECFPHRSA-N 467.331 -0.290 50 20 JBGD CC(=O)Nc1ccccc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835934583 ZROXIFNQESVWOQ-XMMPIXPASA-N 481.314 -0.291 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCC(OC2CCN(C(=O)C[C@@](C)(O)CC(=O)O)CC2)CC1 1838791256 LTUPVIGQVLKWLF-JOCHJYFZSA-N 470.567 -0.026 50 20 JBGD CN(CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCOC3)C2)C1)NC(=O)NCc1ccccc1 1839054039 CPTUDGITQFJRIJ-YKSBVNFPSA-N 489.573 -0.175 50 20 JBGD C[C@H](NC(=O)c1ccccn1)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1839665952 GYZPNQJYQALIKV-DKICVRJWSA-N 454.911 -0.744 50 20 JBGD O=C([C@@H](O)CCl)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1C[C@@]13C(=O)Nc1ccccc13)CCO2 1840035724 CAIYMEKYVLXVJY-LSHXESDTSA-N 463.918 -0.048 50 20 JBGD CNc1nsnc1C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840182358 ANIABVTWBJAASV-GOSISDBHSA-N 455.541 -0.977 50 20 JBGD O=C1c2ccccc2C(=O)N1CCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cccc(B(O)O)c1 1848085899 FPFLQNFNXUGCGY-PMACEKPBSA-N 461.283 -0.132 50 20 JBGD CN(CC(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)C1=NS(=O)(=O)c2ccccc21 21199028 LIGYTKLITUWIGH-UHFFFAOYSA-N 479.540 -0.221 50 20 JBGD CCOc1ccc(C(=O)N2CC[C@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)nn1 1780425740 DORSQKNDZRFXLD-NRFANRHFSA-N 455.475 -0.369 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3[C@@H](O)CCN3Cc3ccccc3)C2)C1 1782812569 YGRUIOFOLHFPBP-OPHFCASCSA-N 487.601 -0.175 50 20 JBGD CC(C)(C)OC(=O)NCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cnccc1C(=O)NN)CCO2 1783398953 YQJXODWVHVIBKI-NRFANRHFSA-N 462.507 -0.347 50 20 JBGD CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc(B(O)O)c2)C1 1796192124 KYFWINVKKXGSMV-NRAIQUKZSA-N 487.362 -0.010 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=O)c1cccnc1)C2 1796439613 RELRWYOFIMHHSL-VYKSVWDLSA-N 481.513 -0.465 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)[C@@H]1ON=C(c2ccccc2)O1 1797642157 ULUODEJFHKEUDK-ZQYRFBGISA-N 465.271 -0.696 50 20 JBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/C(=O)NCc1ccccc1)C2 1797748648 PKNNFVRJGWOBJA-MMXJWNFTSA-N 492.536 -0.239 50 20 JBGD O=C(NC[C@@H]1CCN(C(=O)c2cc(C(=O)O)ncn2)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807369446 KHJCWCCLTYNXRX-JXFKEZNVSA-N 475.270 -0.117 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1CCc2nc(NC(=O)CN(C)C(=O)C(=O)O)sc2C1 1824672183 SLVFJZLGNRLQCJ-IVWJEFBKSA-N 489.514 -0.268 50 20 JBGD O=C(CN1C(=O)CNC1=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827056050 RCARCPSEUYUKMB-SFHVURJKSA-N 456.308 -0.849 50 20 JBGD COc1nccnc1C(=O)N1CCC(N2CCC(NC(=O)c3cnccc3C(=O)NN)CC2)CC1 1835737016 HHHADYOMKXWQJD-UHFFFAOYSA-N 482.545 -0.017 50 20 JBGD COc1cc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)ccn1 1835927558 SSAYURHQTBHKJJ-XMMPIXPASA-N 483.330 -0.527 50 20 JBGD Cc1c(C(=O)N2CCOC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)ccc2c1OCCO2 1835935556 LARDDRUTSQWQTA-VWLOTQADSA-N 496.325 -0.170 50 20 JBGD CS(=O)(=O)CCC(=O)N1CCC(OC2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1837922023 BXHRYNOLLCFKEJ-UHFFFAOYSA-N 466.365 -0.587 50 20 JBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCc4nc(O)nc(O)c4C3)C2)C1 1840150673 OURJNRFLVBCQKZ-VWVPQACVSA-N 484.937 -0.297 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)n1cncn1)CCO2 1840418397 XWAVLIYIHHBAGU-UIPZIVCPSA-N 472.506 -0.571 50 20 JBGD CC(C)(C)OC(=O)N1C[C@@](C)(O)C[C@H]1C(=O)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843015260 YFQZGKVJOGRHHQ-MBSDFSHPSA-N 487.362 -0.056 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)[C@@H]2[C@@H](O)CCN2Cc2ccccc2)C1 1845836303 ZCDQVOPSJOTACM-VXKWHMMOSA-N 463.343 -0.181 50 20 JBGD CC(C)n1nc(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c2ccccc2c1=O 15945865 SZEMTWSMUZPEDA-UHFFFAOYSA-N 466.458 -0.814 50 20 JBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)CNS(=O)(=O)c2ccc3c(c2)COC3)c1 726379869 TWEVOKOPSVENQS-UHFFFAOYSA-N 482.540 -0.293 50 20 JBGD O=C(NNC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1)N[C@H]1CCS(=O)(=O)C1 730535617 RHQHYISAGRAUMH-CVEARBPZSA-N 458.562 -0.254 50 20 JBGD CCn1cnc2c1c(=O)n(CC(=O)NNC(=O)c1cn3cccnc3n1)c(=O)n2Cc1ccccc1 918016906 NYOYLHATMJLZPF-UHFFFAOYSA-N 487.480 -0.068 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3ON=C(c4ccccc4)O3)C2)C1 1778873662 SYESPIVTSIQVNN-XZOQPEGZSA-N 480.481 -0.137 50 20 JBGD COc1cccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cnccc4C(=O)NN)[C@H]3C2)n1 1788611693 RJEAWPGEDKBAHO-JVPBZIDWSA-N 468.514 -0.075 50 20 JBGD CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797748505 FPGUBBWJCNNQTN-LTCOOKNTSA-N 488.545 -0.102 50 20 JBGD Cc1ccc(=O)n(C(C)(C)C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)n1 1801011438 LRCHTKYDIBPJRZ-CWPLJXCYSA-N 462.551 -0.751 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1813071100 NDCRVCKHACEIEJ-GCJKJVERSA-N 467.335 -0.546 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1813071369 ORWBHECZKBPTEN-GCJKJVERSA-N 467.335 -0.546 50 20 JBGD Cn1c(=O)c2c(ncn2CC(=O)Nc2cc([C@H]3CCCCN3C(=O)[C@@H](O)CCl)[nH]n2)n(C)c1=O 1815797244 ICCLVDMZQVYOMK-OLZOCXBDSA-N 492.924 -0.551 50 20 JBGD NNC(=O)c1ccncc1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1nccnc1C(N)=O)CC2 1819797524 DBZFUZHPZFYRFH-VIFPVBQESA-N 481.498 -0.430 50 20 JBGD O=C1NC(=O)[C@@H](CC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(B(O)O)cc3)CC2)N1 1827050663 SWJOWOADSCHIQN-MSOLQXFVSA-N 456.308 -0.802 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(C3CC3)on1)CCO2 1830196832 ISGVMNFPYPETMA-JOCHJYFZSA-N 455.276 -0.384 50 20 JBGD CCNC(=S)NCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)CBr)CCO2 1830544284 TWNOUYJOJQQEOE-SUMWQHHRSA-N 465.414 -0.042 50 20 JBGD Cn1ccc2c(O)ncc(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)[C@H](O)CCl)CCO4)c21 1830732135 SELAGJCHJFGTGB-FOIQADDNSA-N 452.895 -0.051 50 20 JBGD CC(C)(C)OC(=O)N1CC(=O)C[C@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1830885447 FLRWDVSOCNZSGH-MRUHUIDDSA-N 489.953 -0.379 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)c3cccc(=O)n3O)CC2)CC1)c1cccc(B(O)O)c1 1834800203 YVBRVCOVMXPQEB-UHFFFAOYSA-N 468.319 -0.736 50 20 JBGD Cc1ncncc1C(=O)N1CCC(N2CCC(NC(=O)c3cccc(B(O)O)c3)CC2)CC1 1834801091 KSIMXFHXLMTYNK-UHFFFAOYSA-N 451.336 -0.036 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CC(=O)N(C4CCCC4)C3)C2)C1 1835934320 VJSPKTUTOCEJAD-UQBPGWFLSA-N 499.373 -0.773 50 20 JBGD O=C(C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2)c1ccc(Cl)cc1 1835934424 ZPDNCGRGWKGMDS-QHCPKHFHSA-N 486.717 -0.027 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc[nH]c3nccc1-3)CCO2 1836440934 NWQDZJFYNIIYRE-QFIPXVFZSA-N 458.519 -0.043 50 20 JBGD COC(=O)[C@@H]1CC[C@@H](C(=O)N2CCOC[C@]3(CN(C(=O)c4cnccc4C(=O)NN)CCO3)C2)C1 1837456423 MTNRZOHLNUSSTL-CKNGIIGNSA-N 489.529 -0.656 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccc(O)cc3)C2)C1 1837457043 WEHHKEXJRKOWJM-HSZRJFAPSA-N 485.497 -0.460 50 20 JBGD C[C@H](CS(C)(=O)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](F)Br)CCO2)C1 1839199692 ZMYRMMWJIJXWBH-JMSVASOKSA-N 459.334 -0.186 50 20 JBGD O=C(Cc1ccccc1O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1839907774 RMCKKUZIGPMMFK-HSZRJFAPSA-N 454.288 -0.615 50 20 JBGD Cc1nccn1[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1840492418 LARPQNRNEZLCNC-QRQCRPRQSA-N 471.518 -0.479 50 20 JBGD O=C(CCCc1cccnc1)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1840511003 NBAQZERXKDXERH-DEOSSOPVSA-N 467.331 -0.146 50 20 JBGD COc1ccc(CC(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)cc1S(=O)(=O)N1CCOCC1 728176831 LALOQOTWIOKEHC-MRXNPFEDSA-N 475.589 -0.249 50 20 JBGD C[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1)n1cccc1C=O 1786984572 SYNPMPSJWQAQIG-OQRYQMPQSA-N 453.304 -0.165 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=O)c3cccs3)C[C@@H]21)c1cccc(B(O)O)c1 1786984672 XOSXHQGYWQYWLS-SZMVWBNQSA-N 471.344 -0.549 50 20 JBGD O=C(Nc1ccc(C2(NC(=O)[C@@H](O)N3CCOCC3)CCC2)cc1)c1cccc(B(O)O)c1 1788145617 IKZJIDBUYWLJBF-JOCHJYFZSA-N 453.304 -0.235 50 20 JBGD COC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]c4c3CS(=O)(=O)C4)C[C@@H]21 1791254983 ZAGWKJTUKLXFKZ-UHXUCMFUSA-N 460.940 -0.315 50 20 JBGD CN(CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CNC(=O)O1)C2)NC(=O)NCc1ccccc1 1799095443 WPGNWEQDCQXTSV-ZMMAXQRCSA-N 474.518 -0.969 50 20 JBGD CC(C)(C)OC(=O)N[C@]1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](O)CCl)C3)CCOC1 1799331632 XQQJPCNUHKHMLZ-SGQRUEDASA-N 461.943 -0.141 50 20 JBGD CCOC(=O)N1CCC(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)CC1 1801986700 LLUQDUFFPOMOJH-OPVJXMOQSA-N 473.335 -0.562 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)c2cc3n(n2)CCNC3=O)[C@H]1c1cccnc1 1813070364 GSSXASKZCHROOB-IERDGZPVSA-N 482.545 -0.286 50 20 JBGD O=C(Nc1cc([C@H]2CCCCN2C(=O)[C@@H]2CCCS2(=O)=O)[nH]n1)c1ccc(B(O)O)cc1 1817475986 YMFOKYXUJMJTOY-SJORKVTESA-N 460.321 -0.027 50 20 JBGD O=C([C@H](O)CCl)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3ON=C(c4ccccc4)O3)C2)C1 1830731458 LQGNPSDIGAPCPB-XPGWFJOJSA-N 453.879 -0.223 50 20 JBGD C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C2)C1 1831392667 GFGRZSLWLJXSMM-HRJSYZDASA-N 459.503 -0.385 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCN1C(=O)OC(C)(C)C)CCO2 1832049487 DUMOYICLDFUOSC-UZUQRXQVSA-N 497.593 -0.175 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)c3nccc4occc34)C2)C1 1835928348 LWFZYOKDPVQHTR-QHCPKHFHSA-N 465.271 -0.109 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)c3ccnc4ncccc34)C2)C1 1835932148 QJSVHARTGVCNEG-DEOSSOPVSA-N 476.298 -0.307 50 20 JBGD CCN1CCC(C(=O)N2CCOC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)CC1 1835941827 QZVDEMMPFFGOCR-HSZRJFAPSA-N 459.352 -0.832 50 20 JBGD C[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1)n1cccc1C=O 1837457601 KUOWKGIOZXYHQL-QMHKHESXSA-N 484.513 -0.370 50 20 JBGD COCCOCCOCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](Cl)COC)CCO2 1840156454 SJTNJXWRUSPOSW-XLIONFOSSA-N 466.959 -0.234 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cncc(N(C)C)c3)C2)C1 1840183747 WXUNVXGWRZLTQJ-QFIPXVFZSA-N 462.551 -0.409 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1840185921 WKEUNJNNZXMKBK-XUYQLWACSA-N 469.539 -0.655 50 20 JBGD CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843015145 NKTMGNAUKNZUBM-MSOLQXFVSA-N 473.335 -0.446 50 20 JBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)Cc2c(C)nc3nc(N)nn3c2C)cc1 17406834 FWHFYPJFMBXIQZ-UHFFFAOYSA-N 460.520 -0.358 50 20 JBGD C=CCNC(=S)NNC(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c1ccc2c(c1)OCCO2 768265991 YWTPSBMCMMOXLZ-GFCCVEGCSA-N 457.534 -0.949 50 20 JBGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)NCC(=O)N1CCCC1 1324682852 QMVVAHGZKZVXFW-UHFFFAOYSA-N 467.548 -0.407 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](O)Cc1ccccc1)CCO2 1779033809 FDCGYNRHUBTWHI-CVDCTZTESA-N 453.499 -0.268 50 20 JBGD CC(C)n1nc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)cc1C(=O)O 1786984595 RAGGQMBZNQOZEJ-KNBMTAEXSA-N 484.318 -0.251 50 20 JBGD COc1ccc(COCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)cc1 1795736659 CNMCGALLQOLZHI-BBIADKPPSA-N 468.315 -0.205 50 20 JBGD CN(CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cncn1C)C2)NC(=O)NCc1ccccc1 1799094698 FVZYTFIBIOUADG-RMFSNUHRSA-N 469.546 -0.031 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1ccc([N+](=O)[O-])cc1F 1799491366 JRIFYFYRCZXFFI-HBCWATKFSA-N 457.223 -0.069 50 20 JBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CC(=O)N(C3CCCC3)C1)C2 1801010577 HZVWIFGNIAAHTM-DBHNTLKXSA-N 463.579 -0.260 50 20 JBGD CCS(=O)(=O)CC(=O)NC[C@@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1803512861 MHMABKWIWPOPLX-KXBFYZLASA-N 474.543 -0.166 50 20 JBGD CCS(=O)(=O)N[C@@H](C)C(=O)N1CCC2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)CC1 1809978015 SXYLTPVYCNBBOD-INIZCTEOSA-N 465.381 -0.461 50 20 JBGD CCNC(=O)N[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1810236973 DZNFWFHFIQDYRE-XFQXTVEOSA-N 467.335 -0.211 50 20 JBGD C[C@@H](Cn1cncn1)C(=O)N[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815344390 XACMCZPLBMXUBS-SWLSCSKDSA-N 454.321 -0.024 50 20 JBGD Cc1cn(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)c(=O)nc1O 1832774468 ZVHZJRLMJLMPQV-FQEVSTJZSA-N 482.346 -0.129 50 20 JBGD Cc1noc(C)c1CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1833064932 AWKZAENVESJXCF-QHCPKHFHSA-N 486.529 -0.007 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(CN(C(=O)/C=C/c3cccnc3)CCO2)C1 1833102699 ZYCFOAAYGAFELX-CRTIWDKESA-N 466.498 -0.137 50 20 JBGD O=C(CCN1CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1835132263 PVWSFTLHMWLAJH-HSZRJFAPSA-N 459.352 -0.688 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCC(N2CCC(NC(=O)/C=C\C(=O)NC3CC3)CC2)CC1 1835660909 QRIIYRLRLQTUJL-WAYWQWQTSA-N 462.595 -0.234 50 20 JBGD COc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)cn1 1835927542 SCZWFFWWVGLAON-QFIPXVFZSA-N 455.276 -0.846 50 20 JBGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837461609 ZPBBYSLUBAKHQB-KXBFYZLASA-N 455.899 -0.991 50 20 JBGD O=C(COc1cc(Cl)ccn1)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1837652257 RGYAJYRIIZOVHN-JOCHJYFZSA-N 489.721 -0.436 50 20 JBGD O=C(O)CSCC(=O)N1CCC(OC2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1837921654 UMIRIJJUQGZDIL-UHFFFAOYSA-N 464.349 -0.204 50 20 JBGD C[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1)N1CCN(C)CC1 1839105702 ITRAPPDAUNRHED-DAYGRLMNSA-N 465.364 -0.231 50 20 JBGD CC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4c3CS(=O)(=O)C4)C2)C1 1839144160 SAAZTCQTRMHDRZ-ACJLOTCBSA-N 460.940 -0.075 50 20 JBGD COc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)c(F)c1 1839291036 LGQZOHMGWFZHNW-HSZRJFAPSA-N 472.278 -0.102 50 20 JBGD CSCC[C@@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C2)C1 1840197301 JDLAUSBHTKHVKD-CVMHLPAOSA-N 481.575 -0.309 50 20 JBGD C[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1)c1ccccn1 1840501833 NHBZSBJSYPPJNW-HXOBKFHXSA-N 453.304 -0.365 50 20 JBGD C[C@H](C(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1)N1C(=O)NC2(CCCC2)C1=O 728341840 JGTWHGWGTXLXRH-DOMZBBRYSA-N 460.443 -0.230 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)C[C@H](O)CNC(=O)OC(C)(C)C)CCO2 1783934343 FEBCAFXSFFHCML-AOMKIAJQSA-N 485.582 -0.535 50 20 JBGD COC(=O)[C@H]1CC=CC[C@H]1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786986673 XJHXYVUBVANKLA-WTNASJBWSA-N 470.331 -0.285 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCS(C)(=O)=O)C[C@@H]21 1787508150 KIIGWAUADCTCJC-YFRLFMDHSA-N 467.548 -0.465 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3n[nH]cc3[N+](=O)[O-])[C@H]2C1 1788813406 NDGDLBCBVAIQOZ-XEGUGMAKSA-N 458.435 -0.777 50 20 JBGD O=C1CSc2ncc(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)c5cccc(B(O)O)c5)C[C@@H]43)cc2N1 1790454441 SLTUPUDFYMYKOP-FNHZYXHNSA-N 496.354 -0.287 50 20 JBGD Cc1ccn2c(=O)c(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]4C3)cnc2c1 1791291570 ZSIPFOSKNSFVCD-WDSOQIARSA-N 484.557 -0.031 50 20 JBGD Cn1cnc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)c1C(F)(F)F 1795739110 WEFKEJFYQVJMLT-AGGWBTHJSA-N 466.225 -0.364 50 20 JBGD C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795741357 WHNGNJPPXWJMNX-HNJRGHQBSA-N 485.346 -0.514 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1n[nH]c2c(F)cccc12 1797486930 MCVMXEOFONGDKB-ZSBFGKGUSA-N 452.251 -0.101 50 20 JBGD CC(=O)N(C)CCC(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1804068363 YHSWHDXSVIFPNJ-KNQAVFIVSA-N 452.320 -0.051 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)c2cc3n(n2)CCNC3=O)[C@@H]1c1cccnc1 1806084285 OBCHXYSYVRDPQV-IERDGZPVSA-N 482.545 -0.286 50 20 JBGD CCNC(=S)NCC(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807365390 IWNOZNHKZCMEJQ-YLJYHZDGSA-N 469.376 -0.435 50 20 JBGD Cn1c(=O)n(C)c2cc(C(=O)N3CCOC[C@]4(C3)CN(C(=O)[C@@H](O)CCl)CCO4)ccc21 1830727793 FHAXRKQGAYALNP-UWJYYQICSA-N 466.922 -0.453 50 20 JBGD O=C(/C=C/c1ccc([N+](=O)[O-])o1)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1830906872 HMXSHVUJHSDYII-LHXJMTLCSA-N 485.258 -0.349 50 20 JBGD C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1831411597 ZZTXQACVUJTMKT-JOCHJYFZSA-N 461.519 -0.262 50 20 JBGD CC[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1)N(CC)CC 1831663613 LDIHUTCIONVISY-OFNKIYASSA-N 461.368 -0.443 50 20 JBGD COc1cccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)n1 1832767448 MLIAEHGSHVSNAR-HSZRJFAPSA-N 484.513 -0.599 50 20 JBGD COc1cccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)n1 1835927102 FNSWNDAEVLCVBW-QHCPKHFHSA-N 469.303 -0.917 50 20 JBGD O=C(c1ccc2nonc2c1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835930765 YUTVYBZDACYIFP-QFIPXVFZSA-N 466.259 -0.714 50 20 JBGD N[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1)c1cccc(Cl)c1 1835935737 PBNSOMZZZPSLRF-OFNKIYASSA-N 487.749 -0.210 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1cnc3[nH]ncc3c1)CCO2 1836809772 CUIYDANGHCJCEL-JOCHJYFZSA-N 465.275 -0.979 50 20 JBGD O=C1COc2ccc(C(=O)N3CCO[C@]4(COCCN(C(=O)[C@H](O)CCl)C4)C3)cc2N1 1836988861 GJYQFTLLEPTRRN-FOIQADDNSA-N 453.879 -0.313 50 20 JBGD C[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1)n1ccccc1=O 1837459626 UBAORDQJMGXAJK-QMHKHESXSA-N 484.513 -0.822 50 20 JBGD O=C(CNC(=O)C(F)(F)F)N1CCC(OC2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1837920996 QDCULBZPTVIKBA-UHFFFAOYSA-N 485.268 -0.343 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(O)cc3)CCO2)C1 1838970403 OVSGGPMJHGEXBE-QFIPXVFZSA-N 455.471 -0.226 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1n[nH]c3cccc(F)c13)CCO2 1839598434 JJGKGQKKPYJJDI-HSZRJFAPSA-N 482.277 -0.234 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CC(c3ccccc3)=NN1)CCO2 1839634862 BUTVPJFUZNBJFD-RDGATRHJSA-N 492.341 -0.797 50 20 JBGD CS(=O)(=O)c1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)cc1F 1840771622 IKIBQDKGEAJXBX-DNVCBOLYSA-N 478.926 -0.101 50 20 JBGD CC(C)(C)OC(=O)N1CCO[C@H](C(=O)N2CC3(CCCN3C(=O)c3cccc(B(O)O)c3)C2)C1 1843012720 IGEWDPWEWJUKJC-SFHVURJKSA-N 473.335 -0.181 50 20 JBGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)Cn1cc([N+](=O)[O-])ccc1=O 748605140 ORICRRYAPHDQJM-UHFFFAOYSA-N 493.498 -0.442 50 20 JBGD CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)NNC(=O)CNC(=O)c3ccco3)cc2)CC1 751205060 WKZOXIJLVMTTOS-UHFFFAOYSA-N 477.499 -0.677 50 20 JBGD CCn1cnc2c1c(=O)n(CC(=O)NNC(=O)Cn1ccccc1=O)c(=O)n2Cc1ccccc1 771579577 VHCNHBOJJHTGNW-UHFFFAOYSA-N 477.481 -0.563 50 20 JBGD O=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 919889313 KXHHSRDRDFACPH-OAHLLOKOSA-N 458.562 -0.079 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)c3nc4ccccc4n(C)c3=O)C2)C1 1777888620 DBDPHJJQHRHXIW-QHCPKHFHSA-N 470.530 -0.250 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CCO2)C1 1779030256 MRIIPYOMVFRKCU-DEOSSOPVSA-N 491.508 -0.079 50 20 JBGD CC(C)(C)OC(=O)NCC(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779034044 JVKRLDRISXKDMK-OAQYLSRUSA-N 462.507 -0.347 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cc([N+](=O)[O-])cn3)[C@H]2C1 1785217994 ZPRMVXUPJCTYKC-BPUTZDHNSA-N 451.484 -0.856 50 20 JBGD C[C@@H](NC(=O)c1ccccc1)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1785555963 FXHSOOKDVJFDMU-OSPHWJPCSA-N 465.315 -0.372 50 20 JBGD O=C1Cc2cccc(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)c5ccc(B(O)O)cc5)C[C@@H]43)c2N1 1790446395 TYYCAFDKMVASQV-VDGAXYAQSA-N 463.299 -0.232 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Br)C2)c1n[nH]c2c1CS(=O)(=O)C2 1795930285 XTSBNBSYPURRKJ-LVNATWPUSA-N 465.301 -0.268 50 20 JBGD COc1nn(C)cc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C(C)=N/NC(=O)c1ccc[nH]1 1796440991 IKQNBAZTHWBGAE-NDMOTNCASA-N 457.491 -0.234 50 20 JBGD CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(B(O)O)cc2)C3)C1 1802414445 ZSSYELKRQISHNQ-YDLHNXBPSA-N 487.362 -0.010 50 20 JBGD CC(=O)OC[C@H](OC(C)=O)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1819431463 UULQPRRBZDOCAL-OALUTQOASA-N 486.290 -0.110 50 20 JBGD Cc1cnc2c(C(=O)N3CCOC[C@]4(CN(C(=O)c5cccc(B(O)O)c5)CCO4)C3)cnn2c1 1835936943 LFONMMXELDADOD-QHCPKHFHSA-N 479.302 -0.899 50 20 JBGD Cc1nccn1[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835939959 QLVWLMHBEBRPTA-KSFYIVLOSA-N 456.308 -0.797 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4n(n3)CCCO4)C2)C1 1837458969 GRUZBILUPWSHPU-JOCHJYFZSA-N 485.501 -0.952 50 20 JBGD O=C(CCN1CCOC1=O)N1CCC(OC2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1837919332 YZKIKGGXKVTCQH-UHFFFAOYSA-N 473.335 -0.179 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)C(F)(F)c1ccco1)CCO2 1839689655 QHAZGQTXNSRVOZ-FQEVSTJZSA-N 464.230 -0.179 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1840185918 WKEUNJNNZXMKBK-DRRDTLGUSA-N 469.539 -0.655 50 20 JBGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)NNC(=O)CNC(=O)c1cccs1 725871284 DYCBXDDUXSQXKT-UHFFFAOYSA-N 467.533 -0.245 50 20 JBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c1 729276200 YWNMVLKEJTZNHD-UTUOFQBUSA-N 496.995 -0.163 50 20 JBGD Cc1cccc(N2CCN(S(=O)(=O)CC(=O)NNC(=O)CNC(=O)c3ccco3)CC2)c1 751202157 AXOXQTIGQYTXGC-UHFFFAOYSA-N 463.516 -0.383 50 20 JBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NC2CCN(CCN(C)C)CC2)cc1 916382535 IHEVZXJTNJPDEK-UHFFFAOYSA-N 454.597 -0.028 50 20 JBGD COc1ccc([C@H](O)C(=O)N2CCO[C@@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)cc1 1779029175 MJEWMEQPMFKPJQ-WMZHIEFXSA-N 469.498 -0.129 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)c3ccc4c(n3)OCCO4)CCO2)C1 1779030460 QSYSMHKTFDBHBU-JOCHJYFZSA-N 468.470 -0.391 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)nc(O)c1)C2 1779373438 RTKCBJJTIGEARR-OPAMFIHVSA-N 470.486 -0.067 50 20 JBGD CN(CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc(CO)on1)CCO2)NC(=O)NCc1ccccc1 1780968415 KRLZEYPTJNTLTP-HSZRJFAPSA-N 486.529 -0.043 50 20 JBGD CN(CC(=O)N1CCO[C@]2(CCN(C(=O)Cn3ccncc3=O)C2)C1)NC(=O)NCc1ccccc1 1782667111 ULZVRGDKSNDIOC-DEOSSOPVSA-N 497.556 -0.581 50 20 JBGD Cc1cn2c(=O)c(C(=O)N3CCO[C@@]4(CCN(C(=O)CCC(=O)NN(C)C)C4)C3)cnc2s1 1783934534 GRERXUJAZYGRNG-OAQYLSRUSA-N 476.559 -0.119 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnc(OCF)cn3)[C@H]2C1 1785687265 UQJNGEQNYJKMEH-NUTKFTJISA-N 473.465 -0.312 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CC34CCCN3CCC4)C[C@@H]21)c1cccc(B(O)O)c1 1786984822 NJUWLNONNVRJDG-JBACZVJFSA-N 455.364 -0.022 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc4c(c3)CNC4=O)[C@H]2C1 1788443952 QSDBTPGIECJKSX-GKCIPKSASA-N 478.509 -0.164 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CC[C@@H]4CCC(=O)N4C3)[C@H]2C1 1789772463 TYZXRXXTFDNBGQ-OYSTVDSJSA-N 463.579 -0.260 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1ON=C(c3ccccc3)O1)C2)c1ccc(B(O)O)cc1 1795734119 DEJLCGZGPXSVLW-ZQYRFBGISA-N 465.271 -0.696 50 20 JBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc2ccccc2n(C)c1=O 1796999221 TYCWFDWPLRIDLZ-YVWYUNDQSA-N 470.530 -0.490 50 20 JBGD CN(CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccn(C)n1)C2)NC(=O)NCc1ccccc1 1799095099 TYUUVQHDTAYCDI-RMFSNUHRSA-N 469.546 -0.031 50 20 JBGD CC(=O)N[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN(C)NC(=O)NCc1ccccc1 1799097183 HMKILCKCMSLPCS-KBMWQNTOSA-N 474.562 -0.553 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCC2(CCCN(C(=O)C[C@H]3NC(=O)NC3=O)C2)CC1 1806847729 CAGKCDZGHXQCNZ-OAHLLOKOSA-N 457.491 -0.872 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)CN2CCS(=O)(=O)CC2)[C@@H]1c1cccnc1 1813070782 LWGJRGDJWNHNEU-PGRDOPGGSA-N 494.618 -0.809 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CN(C)C(=O)C(=O)O)CC2 1817283240 ZCYDOEIEPJSITB-DLDHGHKKSA-N 489.514 -0.268 50 20 JBGD CC(=O)N1CCN(CC(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc(B(O)O)c3)[nH]n2)CC1 1818965560 NHKNJOYZYZPLPH-HXUWFJFHSA-N 482.350 -0.441 50 20 JBGD O=C(CNC(=O)C(F)(F)F)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1826139908 ATGITNCVAYVXSE-NSHDSACASA-N 470.238 -0.273 50 20 JBGD O=C(CCN1C(=O)Cc2ccccc2C1=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1830836321 QZHFRWNPTXSATA-WZONZLPQSA-N 493.944 -0.342 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ncc(F)cc1F)CCO2 1831965894 LVIGLIXYOVZNQF-NRFANRHFSA-N 476.440 -0.258 50 20 JBGD COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)cc1C 1832089542 ZVKCNFAMSFRFQW-VWLOTQADSA-N 482.342 -0.004 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CC(=O)N(C3CCCC3)C1)CCO2 1832358197 WPUMMUNONMDVOO-DFBJGRDBSA-N 499.373 -0.773 50 20 JBGD CCC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCS(=O)(=O)CC3)CCO2)C1 1832483876 TVSQONAGQRIBRO-LPHOPBHVSA-N 466.000 -0.419 50 20 JBGD COc1cc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)ccn1 1832600981 PWKQXZDTFCNCHH-HSZRJFAPSA-N 477.562 -0.148 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(-n3cnnc3)cc1)CCO2 1835494602 NBUSDBWHGRZCRA-XMMPIXPASA-N 491.313 -0.669 50 20 JBGD Cc1cc(C(=O)NCC(=O)NC2CCN(C3CCN(C(=O)[C@@H](O)CCl)CC3)CC2)no1 1835773890 PXLKCCMZGMJZRX-KRWDZBQOSA-N 455.943 -0.116 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCc4ccccc4[C@@H]3O)C2)C1 1835926694 ZCCVAQANJOIDIM-MVERNJQCSA-N 494.353 -0.268 50 20 JBGD O=C(c1ccc(-n2cnnc2)cc1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835935764 PYUDIVHXGDUQNL-XMMPIXPASA-N 491.313 -0.669 50 20 JBGD CCc1ncsc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835937890 ABXGTHFHWHZZKT-OAQYLSRUSA-N 459.333 -0.231 50 20 JBGD Cc1cc(C(N)=O)cc(C)c1C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835937940 BKJAOLYXNXFYEQ-VWLOTQADSA-N 495.341 -0.534 50 20 JBGD CN(C)C(=O)c1cccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)c1 1835940849 BXKYWLQQGIJPBM-RUZDIDTESA-N 495.341 -0.548 50 20 JBGD Cn1c(C(=O)N2CCC(OC3CCN(C(=O)c4ccc(B(O)O)cc4)CC3)CC2)cccc1=O 1837377995 YLZVDEHTDKBYEY-UHFFFAOYSA-N 467.331 -0.009 50 20 JBGD COc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)nc1 1837458760 AJIWAEBEVJMCLY-QFIPXVFZSA-N 470.486 -0.528 50 20 JBGD Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)NNc3nnc(C)c(=O)[nH]3)CC2)cc1 11548485 XBAZMIABWVUQIL-UHFFFAOYSA-N 463.520 -0.462 50 20 JBGD CN(CC(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1)C(=O)c1ccccc1 1779029712 XMRWJPIPBZXORH-DEOSSOPVSA-N 480.525 -0.099 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccn(C(F)F)c3=O)C[C@@H]21)c1ccc(B(O)O)cc1 1786981094 QYZBHKMXTUXUPP-WBAXXEDZSA-N 475.257 -0.170 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc([N+](=O)[O-])cc3c1OCC3)C2)c1ccc(B(O)O)cc1 1795734996 GUFGMXNQNLXJRK-CWPLJXCYSA-N 481.270 -0.274 50 20 JBGD CS(=O)(=O)N1CCC(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](F)Br)CC1 1799347924 XPPHMDGUOGHKKL-XJFOESAGSA-N 470.361 -0.062 50 20 JBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)C2 1801012609 RTSIZQOFVODSNL-RCJHGTSTSA-N 485.582 -0.775 50 20 JBGD NC(=O)c1ncccc1C(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807360702 CSVONHZPENOJJA-UWJYYQICSA-N 473.298 -0.111 50 20 JBGD O=C(NC[C@H]1CCN(C(=O)CSc2nc[nH]n2)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807375858 VXBNZXOZSFNVTA-APWZRJJASA-N 466.332 -0.009 50 20 JBGD O=C(Cn1ccccc1=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807439719 XVTUVXORMOGZPF-XXBNENTESA-N 460.299 -0.057 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@@H](CNC(=O)CNC(N)=O)[C@H]1c1cccnc1 1814224138 FMPRQAJRIDUJAX-MCUAKSGYSA-N 454.491 -0.110 50 20 JBGD Cc1cn(CC(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cnccc3C(=O)NN)n[nH]2)c(=O)nc1O 1819404464 MRXQZIDZHMEPMF-MRXNPFEDSA-N 495.500 -0.015 50 20 JBGD O=C(CN1C(=O)C=CC1=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1822530115 MHJQGBKTFGZDAG-INIZCTEOSA-N 451.248 -0.680 50 20 JBGD COc1cncc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)c1 1832912602 KKNCDUHMYJRLDK-XMMPIXPASA-N 483.330 -0.527 50 20 JBGD Cc1nc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)cs1 1832967564 UYCBIWFSTSXMGT-OAQYLSRUSA-N 459.333 -0.556 50 20 JBGD O=C(Cc1cccc(Cl)n1)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1833175235 ZWUBGRJAHDHKAJ-JOCHJYFZSA-N 473.722 -0.273 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)c3ccnn3-c3ccccc3)C2)C1 1835928314 KEAWDOJCLQHCTI-VWLOTQADSA-N 490.325 -0.064 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)c3cc(Cl)ccn3)C2)C1 1835930748 YHMPXEDEXPYXOY-NRFANRHFSA-N 459.695 -0.201 50 20 JBGD COc1cscc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835937456 XOGUMBXKNUOBAK-OAQYLSRUSA-N 460.317 -0.180 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCC(OC2CCN(C(=O)C3=NN(C)C(=O)CC3)CC2)CC1 1837058870 NGNBNIFSKHAPIN-UHFFFAOYSA-N 464.567 -0.034 50 20 JBGD C[C@@H](C(=O)N1CCC(OC2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1)n1cncn1 1837922145 QXCOJNQJJOSUTJ-INIZCTEOSA-N 455.324 -0.169 50 20 JBGD COCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CN(C)NC(=O)NCc1ccccc1)CCO2 1839054152 IXVFBXFINKPVEA-JOCHJYFZSA-N 463.535 -0.565 50 20 JBGD C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1)c1ccc(O)cc1 1839169968 WVAUTLAHRJULEP-MZNJEOGPSA-N 468.315 -0.054 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)COc3cc(Cl)ccn3)C2)C1 1840186024 ZCURVAAPULRINI-OAQYLSRUSA-N 483.953 -0.057 50 20 JBGD CN(C)CC(=O)N1CCCC12CN(C(=O)[C@H](Cc1ccc(B(O)O)cc1)NC(=O)OC(C)(C)C)C2 1842678998 LXDGTAQHBPREPF-IBGZPJMESA-N 488.394 -0.433 50 20 JBGD CC(C)(C)OC(=O)N1[C@H]2C[C@@H](C[C@@H]2O)[C@H]1C(=O)N1CCCC12CN(C(=O)c1ccc(B(O)O)cc1)C2 1846203368 RPFFWYJNUAEWCW-LEAZDLGRSA-N 499.373 -0.058 50 20 JBGD Cc1nc(S(=O)(=O)NCC(=O)NNC(=O)c2nn(C(C)C)c(=O)c3ccccc23)cn1C 116609868 KZZMHZMOOVANOU-UHFFFAOYSA-N 461.504 -0.241 50 20 JBGD O=C(c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1)N1CC[C@@H](B(O)O)C1 1329293393 QQADKTOMXBDEBY-OAHLLOKOSA-N 453.326 -0.767 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)c3cc(-c4ccccn4)[nH]n3)C2)C1 1779627731 JDXKDTWKERIWII-QHCPKHFHSA-N 461.287 -0.091 50 20 JBGD C[C@H](Cn1cccn1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21 1785441050 WOSNBCAVVIRPIC-PDWMJMLSSA-N 455.519 -0.189 50 20 JBGD O=C1CN(CC(=O)Nc2ccc(C3(NC(=O)c4ccc(B(O)O)cc4)CCC3)cc2)C(=O)N1 1786686077 RRFIUFRSZFUAQE-UHFFFAOYSA-N 450.260 -0.334 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CCn3c(=O)oc4ccccc43)C[C@@H]21)c1ccc(B(O)O)cc1 1786980068 FRNCACYACCKGCK-JLMWRMLUSA-N 493.325 -0.042 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnn4ccncc34)[C@H]2C1 1788032345 QGHOCWMVTHMHGX-IXDGSTSKSA-N 464.486 -0.365 50 20 JBGD O=C1CC[C@@H](C(=O)N2CSC[C@@H]2C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@H](O)CCl)N1 1793112751 SOITYLAMGIUXLM-PMKSJIGOSA-N 458.968 -0.596 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(Cl)c(O)cc1O)C2)c1ccc(B(O)O)cc1 1795735829 GEHRIJPKAWGAAZ-DBWKPXFBSA-N 460.679 -0.052 50 20 JBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C1\C(=O)Nc3ccccc31)C2 1801011576 OGABXOGITKZUKF-CHMVHSBESA-N 455.515 -0.015 50 20 JBGD O=C(NC[C@@H]1CCN(C(=O)c2cc(=O)n3[nH]cnc3n2)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807363866 PAUWCOYEFUWRTG-JXFKEZNVSA-N 487.285 -0.874 50 20 JBGD Cc1cn(CC(=O)N[C@H]2CCc3nc(NC(=O)c4cccc(B(O)O)c4)sc3C2)c(=O)nc1O 1815361739 QGNFPIVOCOWVMZ-AWEZNQCLSA-N 483.315 -0.680 50 20 JBGD CC(=O)OC[C@@H](OC(C)=O)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1819854439 AZXFEEINPSMDSU-DOTOQJQBSA-N 489.315 -0.457 50 20 JBGD CC[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1)N(CC)CC 1831663487 IFGXBGQVENEJEX-OFNKIYASSA-N 461.368 -0.443 50 20 JBGD COc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)cn1 1831950656 BJTDTHPYBFGHEV-JOCHJYFZSA-N 455.276 -0.846 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)CCn3ccnn3)CC2)CC1)c1cccc(B(O)O)c1 1834801367 CFJXCBVWBMCGRQ-UHFFFAOYSA-N 454.340 -0.767 50 20 JBGD Cc1cccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)c1 1835039590 NMKRPJPAHJASHD-XMMPIXPASA-N 452.316 -0.012 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC1CCN(C2CCN(C(=O)Cn3ccnn3)CC2)CC1 1835117651 IBSPMPNDSSWNIR-WGOQTCKBSA-N 469.550 -0.016 50 20 JBGD C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)c3cnccc3C(=O)NN)CC2)CC1 1835734424 GVQGYCQUTQYCCC-ARJAWSKDSA-N 483.573 -0.271 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1csc(N)n1)CCO2 1835794525 PWVWEUMGQXPBMQ-FINLKQIMSA-N 475.531 -0.071 50 20 JBGD O=Cc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)s1 1835928115 DUOCIUJNDWNGSU-NRFANRHFSA-N 458.301 -0.376 50 20 JBGD Cc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)nc1C 1835929200 HJXOTNSIONWHDL-QHCPKHFHSA-N 453.304 -0.238 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)c3ccc(F)nc3F)C2)C1 1835934127 LUCPEFKDJVMCRL-OAQYLSRUSA-N 461.230 -0.577 50 20 JBGD Cc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)cc(O)n1 1837457690 MXPMYOMSTBCKEO-QFIPXVFZSA-N 470.486 -0.522 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3c[nH]c4ncccc34)C2)C1 1837458770 BEBOEONWZBIHHW-QHCPKHFHSA-N 479.497 -0.055 50 20 JBGD C=CC(=O)N[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1837921133 DARRMVOAKXFAGC-MRXNPFEDSA-N 457.336 -0.331 50 20 JBGD COc1ccsc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1838292728 AOYYRNPVWCLSQJ-OAQYLSRUSA-N 460.317 -0.180 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCC(OC2CCN(C(=O)CCS(C)(=O)=O)CC2)CC1 1838789086 HNZLQCKZNYLAJZ-UHFFFAOYSA-N 460.597 -0.207 50 20 JBGD C[C@H](Cc1ccccn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1840331657 CPQOCRFSYVWGFG-KOSHJBKYSA-N 467.331 -0.290 50 20 JBGD COCCn1cnc2c1c(=O)n(CC(=O)NNC(=O)c1cnn(C)c1C)c(=O)n2Cc1ccccc1 10126663 KNJMLJMRRKVZLO-UHFFFAOYSA-N 494.512 -0.442 50 20 JBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)CCNC(=O)c1cc(F)ccc1Br 729276556 GTASHOOBFOXEFI-MRVPVSSYSA-N 453.290 -0.207 50 20 JBGD COc1cc2c(cc1OC)[C@H](CC(=O)NNC(=O)[C@H](C)S(C)(=O)=O)N(S(C)(=O)=O)CC2 916159649 WJQMFYIOSLHBFO-FZMZJTMJSA-N 477.561 -0.467 50 20 JBGD Cc1cc(C)n2ncc(C(=O)N3CC[C@@]4(CN(C(=O)c5cccc(B(O)O)c5)CCO4)C3)c2n1 1777775605 HSIFVCYIYXFUJL-QHCPKHFHSA-N 463.303 -0.217 50 20 JBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2)c1ccc2nncn2c1 1779065540 AHGJPVAYEIVLLW-AUSIDOKSSA-N 463.303 -0.150 50 20 JBGD CN1N=C(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cnccc3C(=O)NN)C2)CCC1=O 1779371377 UVGPDNAQJAXTHC-VGOFRKELSA-N 471.518 -0.579 50 20 JBGD CN(CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CNC(=O)C1)CCO2)NC(=O)NCc1ccccc1 1780969331 WUEMVMNQGOOSNA-MBSDFSHPSA-N 472.546 -0.701 50 20 JBGD CN(CC(=O)N1CC[C@@]2(C1)CN(C(=O)Cn1nccn1)CCO2)NC(=O)NCc1ccccc1 1780969384 YYKVSJIRTBXZCU-JOCHJYFZSA-N 470.534 -0.546 50 20 JBGD CC(=O)N/C(=C\c1ccco1)C(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1781863895 BVYGDDIATJIKEL-JPFXZVHCSA-N 467.287 -0.420 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc(N3C(=O)C=CC3=O)cc1)CCO2 1783937377 HNZLNDYCQKCVPK-DEOSSOPVSA-N 483.525 -0.068 50 20 JBGD C[C@@](Cl)(CCl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCS(=O)(=O)CC3)[C@H]2C1 1785037066 BEWVNKZKDUGPBQ-YRBFXIGRSA-N 470.419 -0.067 50 20 JBGD COC[C@@H](NC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C(C)=N/NC(=O)c3ccc[nH]3)[C@H]2C1 1787508789 UJANOBIDCMZNQU-RYIMVOQJSA-N 476.534 -0.749 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3nnc4ccccc43)C[C@@H]21 1791288039 PFMNSXVXDMXMPA-BXWFABGCSA-N 457.535 -0.216 50 20 JBGD CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1 1796188619 ZUSQWXSSFYPNAL-RDGPPVDQSA-N 475.351 -0.106 50 20 JBGD Cn1c(=O)c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)nc2ccccc21 1796996388 OUWRLHXWPVVGNP-CWPLJXCYSA-N 476.298 -0.870 50 20 JBGD COC(OC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN(C)NC(=O)NCc1ccccc1 1799095405 REJDOUXUEUVHSO-IZZQQSIFSA-N 463.535 -0.459 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@H](CNC(=O)c2cnc(O)nc2O)[C@H]1c1cccnc1 1808280457 KCWJCCOCIIPYRV-SUMWQHHRSA-N 478.469 -0.085 50 20 JBGD Cc1cc(C(=O)NCC(=O)N2CCC3(CCCN(C(=O)c4cccc(B(O)O)c4)C3)CC2)no1 1809978338 BHXPTEGIBBDVJB-UHFFFAOYSA-N 468.319 -0.062 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCC([C@H]2CCCCN2C(=O)CCN2C(=O)C=CC2=O)CC1 1824771316 QAOJXOTZQQQQMF-HXUWFJFHSA-N 467.331 -0.085 50 20 JBGD CCS(=O)(=O)CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)CBr)C2)C1 1831331420 BHAFTTWBJDXETA-CJNGLKHVSA-N 455.371 -0.092 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)Cc3ccccc3)C2)C1 1835940047 ULQDJRNKEVWJKT-URXFXBBRSA-N 468.315 -0.960 50 20 JBGD Cn1ccc(=O)cc1C(=O)N1CCC(OC2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1837919249 UKERPEDTRLYKOY-UHFFFAOYSA-N 467.331 -0.009 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnncc1C(=O)O)CCO2 1837946718 RLLHKHKKTOWDPQ-RVWJGDDESA-N 499.484 -0.621 50 20 JBGD COc1c(Cl)ccnc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1838726767 GOOIUEZMDFOMHG-QFIPXVFZSA-N 489.721 -0.193 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)NC=O)CCO2 1839163653 JZHRSKFUYVVBJL-QKKBWIMNSA-N 478.458 -0.275 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc3ccnn3c1)CCO2 1839569754 YLUNDKKOIWDVLN-HSZRJFAPSA-N 464.287 -0.602 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)C(Cl)(Cl)Cl)CCO2 1839921643 FKUIOPDOEAIATJ-MRXNPFEDSA-N 465.526 -0.193 50 20 JBGD COCCOCCOCCOCC(=O)N1CCO[C@@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1840082913 WSNHBEAPTVTPNC-IBGZPJMESA-N 487.377 -0.057 50 20 JBGD Cc1ccc(C(=O)NCC(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)cc1 1840904204 GHXGCUCADMOHNE-VWLOTQADSA-N 495.341 -0.825 50 20 JBGD CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N2CC3(CCCN3C(=O)c3ccc(B(O)O)cc3)C2)[C@@H](O)C1 1843009742 DNBSVBXTGKHGQQ-MOPGFXCFSA-N 487.362 -0.199 50 20 JBGD O=C(CNC(=O)c1ccco1)NNC(=O)N1CCN(S(=O)(=O)c2cccc3nsnc23)CC1 725871692 FNAHJIDLIBCORL-UHFFFAOYSA-N 493.527 -0.239 50 20 JBGD O=C(NNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1)C(=O)N1CCCC1 748239004 CTFFWRLTASTXKJ-ZDUSSCGKSA-N 453.477 -0.235 50 20 JBGD COc1cccc(NCC(=O)NNC(=O)c2cc(S(=O)(=O)N3CCOCC3)cn2C)c1 825801777 RPYXYSHFLSHTDL-UHFFFAOYSA-N 451.505 -0.072 50 20 JBGD Cn1cc(C=NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c(=O)n(C)c1=O 839387462 QFPWTUSPOCZOKL-UHFFFAOYSA-N 463.516 -0.812 50 20 JBGD CS(=O)(=O)c1ccc(Br)c(C(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)c1 1318503710 RJIWURLHYAFIDF-QMMMGPOBSA-N 454.324 -0.016 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1nc3ccccc3n(C)c1=O)CCO2 1783935646 XCVNDYYIDSLKTR-HSZRJFAPSA-N 470.530 -0.250 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](CCO)NC(=O)OC(C)(C)C)[C@H]2C1 1784197272 NAIUKSPRXJSEJF-XSLAGTTESA-N 499.609 -0.385 50 20 JBGD CC(C)(C)OC(=O)NCCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1785334143 NPPFVVVSHMHERB-JOCHJYFZSA-N 461.324 -0.275 50 20 JBGD C[C@H](Oc1ccccn1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786986444 BFDNAHWWZPUHCC-UHMOLFJZSA-N 453.304 -0.178 50 20 JBGD COC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)CCl 1792982791 NSDBMENNWFLZRJ-JTTNIQEDSA-N 477.942 -0.368 50 20 JBGD CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](O)CCl)C1 1792983015 YGNDNVHRWJTTAW-MTCCJSQRSA-N 461.943 -0.452 50 20 JBGD CNCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN(C)NC(=O)NCc1ccccc1)C2 1795595686 SJKWQXNEWMYNIE-HATOLVCRSA-N 460.579 -0.078 50 20 JBGD Cc1onc(-c2ccncn2)c1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795740261 LOADKIMFNDDZCM-CWPLJXCYSA-N 477.286 -0.363 50 20 JBGD CC(=O)Nc1ccccc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795741044 WXULMZCQTWSNTI-UPHUGPLXSA-N 451.288 -0.158 50 20 JBGD C[C@H]1CCc2c(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)c3cnccc3C(=O)NN)n[nH]c21 1797750947 WMKKVQKEZNLZIS-JWXAPSBJSA-N 453.503 -0.025 50 20 JBGD CC(C)NC(=O)OC(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797752736 CQAVPMMKJGXLFP-XOIINTDNSA-N 476.534 -0.199 50 20 JBGD NC(=O)c1nccnc1C(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1811185012 OKRYXCROERZVCS-OXJNMPFZSA-N 474.286 -0.716 50 20 JBGD CC(=O)N1CCN(CC(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cnccc3C(=O)NN)[nH]n2)CC1 1818965270 LZSDFIDGEQUQQP-LJQANCHMSA-N 497.560 -0.122 50 20 JBGD CN1N=C(C(=O)NC2CCN(C3CCN(C(=O)c4ccc(B(O)O)cc4)CC3)CC2)CCC1=O 1833688772 GLCJXRDXYUOOPV-UHFFFAOYSA-N 469.351 -0.840 50 20 JBGD COc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)n1 1833763593 OAZFQZHOCXQWGK-JOCHJYFZSA-N 455.276 -0.846 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)c3nc4ccccn4n3)CC2)CC1)c1cccc(B(O)O)c1 1834799871 AQILJXJUOJGOCO-UHFFFAOYSA-N 476.346 -0.092 50 20 JBGD Cc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)cn1 1835935212 HMVDTZROXGHNLA-QHCPKHFHSA-N 453.304 -0.617 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)c3ccc(O)cc3F)C2)C1 1835939163 HFQWZAHEADBXIW-QFIPXVFZSA-N 458.251 -0.405 50 20 JBGD Cc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)c(O)c1 1835941116 HNHWDAVZBYRRNK-HSZRJFAPSA-N 454.288 -0.236 50 20 JBGD CCS(=O)(=O)N[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)[C@H](O)CCl)CC2)CC1 1836713643 JRVSFNYVBSUKJA-CZUORRHYSA-N 453.989 -0.088 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)c1ccn3ccnc3c1)CCO2 1836984451 XCMAVYSPHZMOKO-QHCPKHFHSA-N 464.287 -0.602 50 20 JBGD C[C@@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837455682 DKYNFJYNNGNNSB-DJJJIMSYSA-N 484.351 -0.214 50 20 JBGD Cc1n[nH]c(C)c1CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnccc1C(=O)NN)CCO2 1837459321 CPANWLSRDLCCTF-QFIPXVFZSA-N 471.518 -0.662 50 20 JBGD Cc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)c4cnccc4C(=O)NN)CCO3)C2)c(O)n1 1837459987 QDOBXYSWXSGARW-JOCHJYFZSA-N 470.486 -0.522 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc3ccoc3cn1)CCO2 1839484818 OKCCIWPHDGUYRC-HSZRJFAPSA-N 465.271 -0.109 50 20 JBGD O=C(c1cnc2c(c1)CCNCC2)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1839692294 NKKXMIXAUIZRLM-NQIIRXRSSA-N 452.939 -0.561 50 20 JBGD CNC(=S)NCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)Br)CCO2 1840033990 WMYGUGBCSAZGQZ-WBMJQRKESA-N 451.387 -0.290 50 20 JBGD Cc1cc(C)n2ncc(C(=O)N3CCOC[C@@]4(CN(C(=O)CCC(=O)NN(C)C)CCO4)C3)c2n1 1840184579 VYUAZINIJRDUQE-HSZRJFAPSA-N 487.561 -0.211 50 20 JBGD CN1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)CN(C)NC(=O)NCc4ccccc4)C3)C2)C1 1840571433 TXPQCRJYYUXPSK-XMMPIXPASA-N 488.589 -0.649 50 20 JBGD C[C@@H](O)[C@H](NC(=O)c1ccccc1)C(=O)N1CC2(CCCN2C(=O)c2cnccc2C(=O)NN)C1 1844263192 CLIZJZZCYXMWGF-BEFAXECRSA-N 480.525 -0.319 50 20 JBGD CCCNC(=O)CN1CCC(NC(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)CC1 916518694 GYJUHWRDBUKTPR-UHFFFAOYSA-N 468.580 -0.129 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)c3cccc4c3OCCO4)C2)C1 1777834133 AUZLBMGXYNGYSR-QHCPKHFHSA-N 452.272 -0.105 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1779032784 YLIOBBLCAWQLGL-CWZGJQGVSA-N 460.491 -0.342 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1CC(c3ccccc3)=NN1)CCO2 1783936356 GPFSSUWQIFIASH-WMZHIEFXSA-N 456.547 -0.045 50 20 JBGD COc1ncc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)cc1F 1785638478 ZQOYWCNEVFUEFX-FNHZYXHNSA-N 457.267 -0.184 50 20 JBGD COC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21 1787470289 ZLFPPALDXGMLEW-FJIDUMEYSA-N 499.609 -0.121 50 20 JBGD CCOc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)nn1 1789396271 YPAKFCQJXHWMJT-IEZWGBDMSA-N 454.292 -0.538 50 20 JBGD CC(C)(C)OC(=O)N1[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)C[C@@H]2C[C@@H]21 1792994536 RRTVUFNHTGXOCZ-ICLLYECISA-N 499.373 -0.033 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CC(c3ccccc3)=NN1)C2)c1ccc(B(O)O)cc1 1795735889 IBHIKHCPZZOFRI-UDKICSLYSA-N 462.315 -0.664 50 20 JBGD COC(=O)[C@@H]1CC=CC[C@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795737124 VBWCOZRDFGNVRB-QQXMDYFESA-N 456.304 -0.675 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1[nH]nc2ncccc12 1796217636 OXJRCYNLSUVIRF-DRXBFXEBSA-N 450.459 -0.527 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NN(C)C(=O)CC1)C2 1796439603 PRNDTPNMOCFKII-GBQKICQVSA-N 457.491 -0.682 50 20 JBGD CC(=O)N1CCN(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cnccc2C(=O)NN)CC1 1798440542 PEYGKTUQUXSKMC-BJWYYQGGSA-N 457.535 -0.899 50 20 JBGD COc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)c(O)c1OC 1799665163 XBEPTLHRTFYOOX-CCWDJLKJSA-N 470.287 -0.394 50 20 JBGD CCC(=O)N[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807363357 DESZPUXRNZCXPF-YWMUFLPLSA-N 452.320 -0.004 50 20 JBGD O=C(CN1C(=O)CSC1=S)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1814185473 BWDJYEOPCUXCHC-OXQOHEQNSA-N 498.395 -0.059 50 20 JBGD C[C@H](Cn1cncn1)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1820065529 GDTVJVKXNVCRSN-DOMZBBRYSA-N 454.321 -0.024 50 20 JBGD CCOC(=O)N[C@H](O)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cnccc2C(=O)NN)CC1 1828924082 IOMBVOBBRUULBT-IEBWSBKVSA-N 476.534 -0.017 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H](N)CCC(N)=O)CC1 1828925813 TYVWBESRHDERMP-ROUUACIJSA-N 459.551 -0.489 50 20 JBGD CS(=O)(=O)Cc1ncccc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830724870 IXTRKDDKXWTWRY-QFBILLFUSA-N 475.951 -0.704 50 20 JBGD CCC(=O)N[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1 1833422996 UFJXDCBLHHHXBF-INIZCTEOSA-N 452.600 -0.154 50 20 JBGD CN(CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccnnc1)CCO2)NC(=O)NCc1ccccc1 1834031644 FCGGLCSVPNDVQN-XMMPIXPASA-N 497.556 -0.107 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(C)nn1C)CCO2 1834160799 ZHKAPFABAILLDJ-OLCUMFGGSA-N 471.518 -0.067 50 20 JBGD C[C@](O)(C(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1)C(F)(F)F 1834797321 CJHQRIUGNLBZJZ-FQEVSTJZSA-N 471.285 -0.135 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCC(N2CCC(NC(=O)Cn3cccn3)CC2)CC1 1834882231 PPUSAVDROXOLNQ-UHFFFAOYSA-N 454.535 -0.233 50 20 JBGD Cc1cc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)ccn1 1835927117 GPBHKVVQPOTVLR-DEOSSOPVSA-N 467.331 -0.227 50 20 JBGD Nc1nc2cc(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)c3ccc(B(O)O)cc3)CCO4)ccc2s1 1835928453 QYAHXBWKVWOFQT-HSZRJFAPSA-N 496.354 -0.058 50 20 JBGD CC(C)n1nccc1C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835931278 KOOVOWQEEKTFLO-QFIPXVFZSA-N 456.308 -0.472 50 20 JBGD COc1cccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)n1 1835935218 HXEPDAFPYCUSSX-QHCPKHFHSA-N 469.303 -0.917 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)c1ccn3ccnc3c1)CCO2 1836984509 ZZMVLQVMUWFPFE-QHCPKHFHSA-N 464.287 -0.602 50 20 JBGD C[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1)n1ccccc1=O 1837459622 UBAORDQJMGXAJK-HJPURHCSSA-N 484.513 -0.822 50 20 JBGD CC(C)NC(=O)OC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1839072507 GERUFABIGRVWSD-QHCPKHFHSA-N 491.350 -0.650 50 20 JBGD CN1CCN(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](F)Br)CCO3)CC1 1839200922 PARSPWHJGNKUAS-DOTOQJQBSA-N 451.337 -0.619 50 20 JBGD CC[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3ccncc3=O)C2)C1 1839966747 OKWBGTHQXQWICB-KSSFIOAISA-N 457.325 -0.127 50 20 JBGD CCn1nc(C(=O)NNC(=O)c2cc(S(=O)(=O)N3CCOCC3)cn2C)c2ccccc2c1=O 16231223 GXRVQUFASNOQCS-UHFFFAOYSA-N 488.526 -0.149 50 20 JBGD COCCn1ccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2ccc(B(O)O)cc2)C3)n1 1778242163 HUPOSWKLRCZRNA-NFBKMPQASA-N 470.335 -0.349 50 20 JBGD O=C1CSc2ncc(C(=O)N3CC[C@]4(CN(C(=O)c5ccc(B(O)O)cc5)CCO4)C3)cc2N1 1782425536 QMPMQIGLYFMKKV-JOCHJYFZSA-N 482.327 -0.437 50 20 JBGD CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)N1CC[C@]2(CN(C(=O)[C@H](O)CCl)CCO2)C1 1783612080 MZEMZXAJCFMEAL-IGMJJTELSA-N 461.943 -0.214 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cccnc1CS(C)(=O)=O)CCO2 1783936192 IBYXGBFBMUVQEU-OAQYLSRUSA-N 481.575 -0.557 50 20 JBGD CCOc1cnc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)cn1 1786984591 QVMBKVQFSZJQSR-IEZWGBDMSA-N 454.292 -0.538 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CC[C@H]4CCC(=O)N4C3)[C@H]2C1 1789772460 TYZXRXXTFDNBGQ-BCYZHJNNSA-N 463.579 -0.260 50 20 JBGD COC(=O)c1ccc(OCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)cc1 1797757029 YYIJJLXAAKXJOT-VPTLXERWSA-N 497.508 -0.246 50 20 JBGD CC(=O)OC[C@H](OC(C)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Br)C2 1797789428 FOXLCBMCPTZFGJ-ZUWCUPBKSA-N 453.261 -0.239 50 20 JBGD O=C(NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807371082 PERQSRSUHKCTQB-UGKGYDQZSA-N 473.103 -0.925 50 20 JBGD CCOC(=O)N[C@H](O)C(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1810094136 JXOZHMYAAYJJDK-IMFGXOCKSA-N 470.291 -0.855 50 20 JBGD COC[C@H](NC(C)=O)C(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1810559779 ODYXFBFMNIGVIB-JBACZVJFSA-N 468.319 -0.768 50 20 JBGD O=C(N[C@@H]1CCc2nc(NC(=O)c3n[nH]cc3[N+](=O)[O-])sc2C1)c1cccc(B(O)O)c1 1820298604 RBHFZVVKVJAIQK-LLVKDONJSA-N 456.249 -0.006 50 20 JBGD Cc1cccc(/C=C/C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)n1 1829722704 WJTRMCGUZZOKAL-HCXLOTKHSA-N 465.315 -0.147 50 20 JBGD CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1 1830574974 NADLGWZHZSQESF-LXIYXOSZSA-N 453.895 -0.137 50 20 JBGD Cc1cc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)ccn1 1832621811 RDGNICHREFAFTR-XMMPIXPASA-N 467.331 -0.227 50 20 JBGD Cn1ccc(=O)cc1C(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834798435 VOPGPOMHPJDIES-UHFFFAOYSA-N 466.347 -0.436 50 20 JBGD Cn1ncnc1C(=O)N1CCC(N2CCC(NC(=O)c3cnccc3C(=O)NN)CC2)CC1 1835737094 MKDVNJWSWHYSFP-UHFFFAOYSA-N 455.523 -0.687 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC1CCN(C2CCN(C(=O)[C@@H]3CCCS3(=O)=O)CC2)CC1 1835738279 RJSIPZYWFRRZLS-IBGZPJMESA-N 492.602 -0.553 50 20 JBGD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835942156 ZCUBYDFTRSSUDV-COIATFDQSA-N 498.297 -0.733 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccn3cncc13)CCO2 1837112841 NYVSZMOLBYQQRO-HSZRJFAPSA-N 479.497 -0.283 50 20 JBGD COc1nccc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cnccc4C(=O)NN)CCO3)C2)c1F 1837457441 BKMMIPXGDJIJGP-QFIPXVFZSA-N 488.476 -0.388 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)CC3CCOCC3)C2)C1 1837457472 DGLTVEKVKRHYOR-JOCHJYFZSA-N 461.519 -0.428 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)C1 1837461373 VGFISSLHNZNPDP-PCLSUMPVSA-N 459.503 -0.677 50 20 JBGD N=C(N)NCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](Br)Cc1ccccc1)CCO2 1839802137 MTLOSYHQKGPBLF-UZLBHIALSA-N 482.379 -0.068 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)C(Cl)(Cl)Cl)CCO2 1839921824 PLZXRIPBFSPLKE-INIZCTEOSA-N 465.526 -0.193 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)C(F)(F)C(F)(F)C(=O)O)C2)C1 1840182241 AIVKHNAAYPZJDJ-MRXNPFEDSA-N 486.419 -0.829 50 20 JBGD Cc1cc(C)n(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)n1 1840346417 VAEQBKXQUMNLOR-QHCPKHFHSA-N 470.335 -0.660 50 20 JBGD Cc1ccc(S(=O)(=O)N2CCC(C(=O)NNC(=O)N[C@H]3CCS(=O)(=O)C3)CC2)cc1 915880347 JCMDZYOXAXDKJH-HNNXBMFYSA-N 458.562 -0.087 50 20 JBGD C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1785574742 QMDMPJXIQSVKMS-YADARESESA-N 485.346 -0.274 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC1(c2ccc(NC(=O)CN3C(=O)CNC3=O)cc2)CCC1 1786639933 DFLVRWGBOCLNML-UHFFFAOYSA-N 465.470 -0.015 50 20 JBGD CC(C)(C)OC(=O)NCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1790990986 JAYCPELKJVZZCN-SZMVWBNQSA-N 461.324 -0.516 50 20 JBGD CN(C)NC(=O)CCC(=O)Nc1ccc(C2(NC(=O)c3cc(=O)n4[nH]nnc4n3)CCC2)cc1 1791600349 YLBHSYZZTOQKQL-UHFFFAOYSA-N 467.490 -0.067 50 20 JBGD CS(=O)(=O)c1cncc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(B(O)O)cc2)C3)c1 1794623574 DLFJVGSLGUGMEV-BCDXTJNWSA-N 457.317 -0.270 50 20 JBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1c(Br)cnn1C 1796750105 XOLVUAQWQCDHEE-DRXBFXEBSA-N 471.356 -0.241 50 20 JBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1nc2c(=O)[nH]c3ccccc3n2n1)c1ccc(B(O)O)cc1 1797659395 HDQCXMCCNVSWGF-BJWYYQGGSA-N 486.297 -0.184 50 20 JBGD COC(=O)[C@H]1CC=CC[C@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C 1801012192 MRTYLQYMBQIETK-QOSLBHJFSA-N 450.536 -0.296 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@H](CNC(=O)C2=NNC(=O)C2)[C@H]1c1cccnc1 1810223569 PHJSQWOFPPFUFZ-SCLBCKFNSA-N 450.459 -0.724 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CN(C)C(=O)c1ccccc1)CCO2 1831149836 IBHQCGQYSAQYCW-XMMPIXPASA-N 489.573 -0.412 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCC(N2CCC(NC(=O)CCN3CCOCC3)CC2)CC1 1834637112 BONHZVBSAGGMKB-UHFFFAOYSA-N 487.605 -0.407 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC1CCN(C2CCN(C(=O)Cn3cncn3)CC2)CC1 1835117825 NTTNCKLGCGYSMX-JVWAILMASA-N 469.550 -0.016 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCC(N2CCC(NC(=O)C(=O)Nc3cccnc3)CC2)CC1 1835804992 ZVPYTAABLYBCBZ-UHFFFAOYSA-N 473.578 -0.035 50 20 JBGD O=C(COc1ccccc1F)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835932220 UPYUCEOZFGLMSE-HSZRJFAPSA-N 472.278 -0.346 50 20 JBGD O=C(CS[C@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1837506469 PDKOXIDLWXKIIF-RBBKRZOGSA-N 478.376 -0.304 50 20 JBGD CC[C@H](Br)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)N1CCOCC1)CCO2 1837523496 VXKBEAGWNNLKRX-QILLFSRXSA-N 464.357 -0.733 50 20 JBGD COc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)c(O)c1 1838888027 JPBVCRAGOXSCKO-HSZRJFAPSA-N 470.287 -0.536 50 20 JBGD CN1CCN(C2(C(=O)N3CCO[C@@]4(COCCN(C(=O)[C@@H](F)Br)C4)C3)CC2)CC1 1839107359 IFOPVSZRUQVJQO-CRAIPNDOSA-N 477.375 -0.087 50 20 JBGD C[C@@H](Nc1nccs1)C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840183810 BJECQOFZQZQXPF-QRWLVFNGSA-N 468.580 -0.227 50 20 JBGD C[C@H]1CCc2c(C(=O)N3CCOC[C@@]4(CN(C(=O)CCC(=O)NN(C)C)CCO4)C3)n[nH]c21 1840184639 YYMCKWQYTAYIBT-OYHNWAKOSA-N 462.551 -0.098 50 20 JBGD CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)N1CCCC12CN(C(=O)c1cccc(B(O)O)c1)C2 1845222236 UVBQKBQPWTXRDG-QGZVFWFLSA-N 461.324 -0.541 50 20 JBGD CC[C@H](O)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](Cc1ccc(B(O)O)cc1)NC(=O)OC(C)(C)C 1847492829 NJWUKMHHYCCMRU-MUGJNUQGSA-N 489.378 -0.225 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C[C@H]1NC(=O)NC1=O 1848095598 CIBNUKZCERSVOT-VOAKCMCISA-N 457.915 -0.082 50 20 JBGD O=C(NCCS(=O)(=O)N1CCOCC1)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 748112416 ZHRLUQCVRURYAY-UHFFFAOYSA-N 489.576 -0.923 50 20 JBGD COC(=O)c1cc(Br)ccc1S(=O)(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 919960896 IZEZHXMMKSVPKO-VIFPVBQESA-N 470.323 -0.085 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](O)N3CCOCC3)C2)C1 1779087048 HOQYSTNVSWDIAF-HZUJVAHNSA-N 490.985 -0.401 50 20 JBGD C[C@@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2)n1ccccc1=O 1779526170 WFJGPNMHJSIKNL-WPSZSDGUSA-N 467.331 -0.083 50 20 JBGD C[C@@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)CCO2)C1 1783528759 AFPXBGJLAQCPNN-CWTRNNRKSA-N 497.350 -0.953 50 20 JBGD CC(C)(C)OC(=O)NCCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1785334145 NPPFVVVSHMHERB-QFIPXVFZSA-N 461.324 -0.275 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnncc3C(=O)O)[C@H]2C1 1788890881 YPXKVSBCGOSGCA-IYFGCAPJSA-N 483.485 -0.098 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](CO)NC(=O)OC(C)(C)C)C[C@@H]21 1791291220 OXDNRFJEKGBIFT-QAETUUGQSA-N 485.582 -0.775 50 20 JBGD Cn1nc(C(F)(F)F)cc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795734702 WOBPIDCHSSHNRO-FVCICTRLSA-N 466.225 -0.364 50 20 JBGD CC(C)(C)OC(=O)N1CC[C@H]2C[C@@]21C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1800772025 HAZZQEMKVIRGEZ-UFZBXBPUSA-N 499.373 -0.031 50 20 JBGD COC(=O)[C@@H]1CCC[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)C1 1800960865 KHVPOMHOKVWPIQ-WPECMILSSA-N 473.530 -0.132 50 20 JBGD C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN(C)NC(=O)NCc1ccccc1)C2)n1cncn1 1801359470 BOAGLSTUENKMNU-RDPOXOKHSA-N 484.561 -0.225 50 20 JBGD CN1N=C(C(=O)N[C@H]2CCc3nc(NC(=O)c4cnccc4C(=O)NN)sc3C2)CCC1=O 1819793558 PSRHXVXEZMQXLN-JTQLQIEISA-N 470.515 -0.024 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCC([C@@H]2CCCCN2C(=O)Cn2ccncc2=O)CC1 1831104098 JLWUBNGCIPWIJQ-FQEVSTJZSA-N 452.320 -0.143 50 20 JBGD Cc1ncc(C(=O)NC2CCN(C3CCN(C(=O)c4cccc(B(O)O)c4)CC3)CC2)cn1 1834064046 HQVQCSUEKGITFX-UHFFFAOYSA-N 451.336 -0.036 50 20 JBGD CN(CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cn1ccnc1)CCO2)NC(=O)NCc1ccccc1 1834386175 HPIXBCTUHICUQQ-XMMPIXPASA-N 499.572 -0.314 50 20 JBGD Cn1cc(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)c(C(F)F)n1 1835928722 WVAVRHQGXXJXOM-NRFANRHFSA-N 478.261 -0.579 50 20 JBGD O=C1Cc2cc(C(=O)N3CCOC[C@]4(C3)CN(C(=O)c3ccc(B(O)O)cc3)CCO4)ccc2N1 1835930398 IJNIKQWSOSDNLA-DEOSSOPVSA-N 479.298 -0.755 50 20 JBGD CC(=O)Nc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)cc1 1835933656 FWJJODBUGOKSJF-DEOSSOPVSA-N 481.314 -0.291 50 20 JBGD COc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)cc1F 1835934418 ZGGQDZFRHMDNHU-HSZRJFAPSA-N 472.278 -0.102 50 20 JBGD Cc1cnn([C@@H](C)C(=O)N2CCOC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)c1 1835940167 XHTNOUJOOARIGR-JTSKRJEESA-N 456.308 -0.797 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(CN(C(=O)c3cc4n(n3)CCC4)CCO2)C1 1837094648 WITBJHBHZBXRKS-JOCHJYFZSA-N 469.502 -0.788 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cc(C)[nH]n3)CCO2)C1 1837586011 XYOCQIYFJGUBKQ-NJRDNMGOSA-N 471.518 -0.149 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)c1ccnc(Cl)n1)CCO2 1837921496 DPKCYTBAJJIGIP-FQEVSTJZSA-N 460.683 -0.806 50 20 JBGD CCN(C)[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C2)C1 1839640361 ZSGHVMRMCHFXGK-HRJSYZDASA-N 462.551 -0.083 50 20 JBGD COc1ncc(C(=O)N2CCOC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)cc1C 1840183723 VXFQOCMHEAHICG-QFIPXVFZSA-N 463.535 -0.158 50 20 JBGD CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)N1CC2(CCCN2C(=O)c2cnccc2C(=O)NN)C1 1844264733 BGCWXQUVXZQFPQ-AWEZNQCLSA-N 476.534 -0.222 50 20 JBGD C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(S(=O)(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc2)C1 728510527 MHVUIJARURYZLR-MJBXVCDLSA-N 496.633 -0.400 50 20 JBGD Cc1cc2nnc(C(=O)N3CCO[C@@]4(CCN(C(=O)c5cnccc5C(=O)NN)C4)C3)c(C)n2n1 1779030254 MIOQMXRSTVUVLW-JOCHJYFZSA-N 479.501 -0.503 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1CC[C@@H]3CCC(=O)N3C1)CCO2 1779032587 NTGNWJBBKMMXLG-PXAQALGRSA-N 470.530 -0.470 50 20 JBGD CN(CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ncon1)CCO2)NC(=O)NCc1ccccc1 1780969047 UFZGALHSQOEVEC-OAQYLSRUSA-N 457.491 -0.141 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)[C@@H]3CC[C@@H]4CCC(=O)N4C3)C2)C1 1781054358 LPWLCVRRCGWMDQ-BOCKYXSRSA-N 455.320 -0.789 50 20 JBGD COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)[C@H](O)CCl)CCO2)C1 1783600343 KKGFZWJMMRXQJQ-MNVSYLFESA-N 477.942 -0.128 50 20 JBGD COC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783934240 CSWNFQJUCAZIOY-OPAMFIHVSA-N 485.582 -0.271 50 20 JBGD CN(C)c1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)nc1 1785747406 DTPITSHZRYGXCI-LRQRDZAKSA-N 452.320 -0.266 50 20 JBGD Cc1nccn1CCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786983925 WILFTWVKMKKUKR-JBACZVJFSA-N 454.336 -0.055 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nc4ccccn4n3)[C@H]2C1 1787263017 NWGPIJXRYVEMQY-JQFCIGGWSA-N 464.486 -0.365 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nn[nH]c3C(F)(F)F)[C@H]2C1 1789359482 LRFHOJOJVCRLIM-XDTLVQLUSA-N 482.423 -0.271 50 20 JBGD C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1)[S@@](=O)c1ccccc1 1795741419 WJXAMXSSFHYWSR-QXXVSFSESA-N 470.356 -0.234 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]c2c1CCCC2 1796164646 MTIIWHBDVVLYTQ-IVWMJMPLSA-N 453.503 -0.196 50 20 JBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(F)(F)C(F)(F)C(=O)O)C2 1797748559 IINJDIBZMQKUDA-BZBKMWRSSA-N 477.371 -0.757 50 20 JBGD CN(CC(=O)NC[C@@H]1CCN(C(=O)[C@@H](N)CN)[C@H]1c1cccnc1)NC(=O)NCc1ccccc1 1807453572 PKRCYHUVPVNUAG-ONTIZHBOSA-N 482.589 -0.280 50 20 JBGD NNC(=O)c1ccncc1C(=O)N[C@H]1CCc2nc(NC(=O)CN3C(=O)C=CC3=O)sc2C1 1826318806 RPCTZWIMUAWYRM-JTQLQIEISA-N 469.483 -0.708 50 20 JBGD O=C(c1n[nH]cc1I)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830731552 LYXXZDDIDOKENV-IAQYHMDHSA-N 498.705 -0.316 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(O)n(C)n1)CCO2 1833406655 YBXIBWWLPBUQHM-KURUZVKSSA-N 473.490 -0.670 50 20 JBGD O=C(CNCP(=O)(O)O)NC1CCN(C2CCN(C(=O)[C@H](F)Br)CC2)CC1 1834666140 IHRZSOJLEQJBPE-AWEZNQCLSA-N 473.280 -0.027 50 20 JBGD CC(C)(NCCC#N)C(=O)N1CCC(N2CCC(NC(=O)c3cccc(B(O)O)c3)CC2)CC1 1834801034 IXRPZBFTHCIFIS-UHFFFAOYSA-N 469.395 -0.167 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCC(N2CCC(NC(=O)CCc3nc(N)n[nH]3)CC2)CC1 1835666993 VADBJAUIWSGUEU-UHFFFAOYSA-N 463.587 -0.736 50 20 JBGD COc1c(Cl)ccnc1C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835931227 ISUKOQFPFOMHDQ-QFIPXVFZSA-N 489.721 -0.193 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCc4ccccc4[C@H]3O)C2)C1 1835934040 KWQHHPBYXMASSG-PPJWLVRDSA-N 494.353 -0.268 50 20 JBGD COC(=O)c1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)cn1 1837457905 VMMISIRBXSNZHC-QHCPKHFHSA-N 498.496 -0.750 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(Cl)ccn1)CCO2 1837861821 JVXMMILFXMZJRN-OAQYLSRUSA-N 459.695 -0.201 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CCOC[C@]2(CN(C(=O)CCC(N)=O)CCO2)C1 1839864406 ROIXGJDMBNZHSY-NRFANRHFSA-N 478.458 -0.144 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)Cc1ccccc1)CCO2 1839960644 NZIYRHRDFWKZCU-AUSIDOKSSA-N 462.547 -0.581 50 20 JBGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CN3C(=O)CSC3=S)CCO2)C1 1840896942 CMVRUDRYUBQXRL-PXAZEXFGSA-N 465.981 -0.443 50 20 JBGD CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N1CC2(CCCN2C(=O)c2cnccc2C(=O)NN)C1 1844263289 NRYGNYHFUFKAJK-OAHLLOKOSA-N 462.507 -0.612 50 20 JBGD CCOc1ccc(S(=O)(=O)NCC(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc1OCC 798149905 XGOYMIZUBAFOCR-GFCCVEGCSA-N 463.534 -0.656 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](C)Cn3cncn3)C2)C1 1779215253 BJLVEMNVCRGDOV-NUWPNTOMSA-N 456.507 -0.122 50 20 JBGD CCNC(=O)N[C@@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2 1779318013 VASLMDCCJLKXGN-QXATTWAWSA-N 460.340 -0.799 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@@]2(CCN(C(=O)c3nccnc3C(N)=O)C2)C1 1779875991 VLJMYMFFVZOVPV-QMPKWXHSSA-N 468.474 -0.847 50 20 JBGD CC(=O)N[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)CN(C)NC(=O)NCc3ccccc3)CCO2)C1 1783179219 RUDNIBZZRNFDFB-HXOBKFHXSA-N 474.562 -0.313 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1ccccc1-n1nccn1 1790166634 BRANUQZKOGQROZ-XJABCFGWSA-N 475.314 -0.146 50 20 JBGD C[C@H](NNc1ccccc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1792504954 BZOWYEHRENTSAN-JWVYWZTKSA-N 452.320 -0.425 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)C2)c1cccc(B(O)O)c1 1795739952 VOXSATCQELOWHO-CCWDJLKJSA-N 455.232 -0.503 50 20 JBGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1CCN(S(C)(=O)=O)CC1 1797140028 ILDHQLALTGKSLJ-FZKCQIBNSA-N 451.973 -0.499 50 20 JBGD CC(=O)N[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C)c1ccc(F)cc1 1801012444 GNMFZDFLRYNBCS-WOSNLTMFSA-N 477.537 -0.035 50 20 JBGD O=C(NC[C@H]1CCN(C(=O)CN2CCCC2=O)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807371072 PBRFSPPGHYTSBO-GCJKJVERSA-N 450.304 -0.297 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCc3ccoc3C1)CCO2 1830930300 KOUVHAZZIDZSTC-CYFREDJKSA-N 468.315 -0.166 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCC(N2CCC(NC(=O)CN3CCCC3=O)CC2)CC1 1834626211 DLGSPRHZGYXFPB-UHFFFAOYSA-N 471.562 -0.507 50 20 JBGD NC(=O)c1ccccc1C(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834799334 XVTQHOOMNNLPOV-UHFFFAOYSA-N 478.358 -0.036 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC1CCN(C2CCN(C(=O)CCN3CCOC3=O)CC2)CC1 1835737867 JSGFHHTYTUKZCB-UHFFFAOYSA-N 487.561 -0.287 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3ON=C(c4ccccc4)O3)C2)C1 1835938072 IEEBFDLYRIRNPN-ZEQRLZLVSA-N 495.297 -0.829 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C(F)F)no3)CCO2)C1 1836245727 FGDXFWNVLOTZAJ-HXUWFJFHSA-N 480.428 -0.006 50 20 JBGD CNC(=S)NCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)CBr)C2)C1 1837461908 IRRUYPQTQVBSMK-DYVFJYSZSA-N 465.414 -0.042 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)Nc1cnccn1)CCO2 1837480444 QGQIFMXMPJBFIQ-AGPAOCMPSA-N 498.544 -0.133 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CC(c3ccccc3)=NN1)CCO2 1839634861 BUTVPJFUZNBJFD-RCZVLFRGSA-N 492.341 -0.797 50 20 JBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cn4c(nc3=O)SCC4)C2)C1 1840153906 FJBHWLSNMQDBSK-MGPUTAFESA-N 486.978 -0.398 50 20 JBGD Cc1nn2cc(CC(=O)N3CCOC[C@@]4(CN(C(=O)CCC(=O)NN(C)C)CCO4)C3)nc2s1 1840182523 LPJLNYDDJZMVNJ-OAQYLSRUSA-N 493.590 -0.529 50 20 JBGD Cc1cnn([C@H](C)C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)c1 1840404929 FNWQZGJLILHPHC-OPAMFIHVSA-N 471.518 -0.479 50 20 JBGD Cn1c(=O)c2c(ncn2CC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)[C@@H](F)Br)n(C)c1=O 1848151005 UBSLQKAZKYQGOC-OUJBWJOFSA-N 471.287 -0.674 50 20 JBGD COC(=O)/C=C\c1cc(OC)c(OC)c(S(=O)(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c1 728509345 CJZIEOUYVUMMGC-JYESYGNLSA-N 465.506 -0.863 50 20 JBGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)COC[C@@H]1CCCO1 746387832 QVNNEGWJNSGSCI-KRWDZBQOSA-N 455.533 -0.017 50 20 JBGD NC(=O)NCC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)cc1 913408543 SNNSSOQKAQITQN-UHFFFAOYSA-N 474.543 -0.378 50 20 JBGD COc1c(F)cc(CC(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc1S(N)(=O)=O 915594389 NXVBQOLPDVUQKS-UHFFFAOYSA-N 488.519 -0.264 50 20 JBGD C[C@@H](CN1CCCC1=O)NC(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 918099852 CNEADWIAZFWSJW-INIZCTEOSA-N 481.575 -0.019 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)CNC(=O)c3cccs3)CCO2)C1 1779028803 PDXQPPBNLIATHA-NRFANRHFSA-N 472.527 -0.380 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cc([N+](=O)[O-])cn3)[C@H]2C1 1785216587 BQRQXLMRMWYDBD-ZLIFDBKOSA-N 472.462 -0.917 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CCBr)C[C@@H]21)c1cc(=O)n2[nH]nnc2n1 1787269421 XFIWIHBJSVHRGW-NHCYSSNCSA-N 454.285 -0.809 50 20 JBGD C[C@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(=O)n2[nH]cnc2n1 1795727229 VBBUNYRCIABIIV-NJBDSQKTSA-N 453.297 -0.348 50 20 JBGD CCS(=O)(=O)CC(=O)NC[C@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1803512855 MHMABKWIWPOPLX-DNVCBOLYSA-N 474.543 -0.166 50 20 JBGD O=C(/C=C\C(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1)NC1CC1 1807375500 PNWKCRKXQHQULP-XGSRKGAOSA-N 462.315 -0.084 50 20 JBGD CCOC(=O)N[C@H](O)C(=O)NC[C@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1810097669 YDROMIDTKJXEQO-CFLQYTFWSA-N 485.501 -0.536 50 20 JBGD CNC(=S)NCCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)CCC(=O)NN(C)C)CC2 1819811035 NRDCNIOUQXDOEY-LLVKDONJSA-N 455.610 -0.088 50 20 JBGD Cn1c(=O)c2c(ncn2CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@H](O)CCl)CC2)n(C)c1=O 1825102808 SSHAVSGWKUVIKR-HZPDHXFCSA-N 494.980 -0.347 50 20 JBGD CC(C)(C)OC(=O)NCCOCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830733399 LEXVKKFOJJLWLP-MGPUTAFESA-N 479.958 -0.416 50 20 JBGD CC(=O)Nc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)n1 1833334719 KHRDWQMATJPAIR-QHCPKHFHSA-N 497.512 -0.578 50 20 JBGD CCn1nccc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1834414347 YYFZIGJNFABRCM-OAQYLSRUSA-N 457.491 -0.715 50 20 JBGD C[C@@H](C(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1)n1ccnn1 1834799132 OWIYUISBIABHPS-INIZCTEOSA-N 454.340 -0.596 50 20 JBGD O=C(CCCc1cccnc1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835933557 BVVLDSJMTQAGOH-XMMPIXPASA-N 467.331 -0.146 50 20 JBGD COc1ccc(F)cc1C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835934135 MBZVSALTPQVJKJ-QHCPKHFHSA-N 472.278 -0.102 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCC(OC2CCN(C(=O)c3c[nH]c(=O)cn3)CC2)CC1 1837919188 OORSPMJEOQWPCM-UHFFFAOYSA-N 454.292 -0.624 50 20 JBGD C[C@](Cl)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@@H]3NC(=O)NC3=O)C2)C1 1839150721 VTFPAQUFYHPXOS-MZPVMMEZSA-N 451.307 -0.723 50 20 JBGD Cc1cc(O)c([N+](=O)[O-])cc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1839466632 MEOWTBRNCGPLMP-QHCPKHFHSA-N 499.285 -0.328 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(CO)c(F)c3)CCO2)C1 1840782752 JPUZGYQTOHCBPR-HSZRJFAPSA-N 487.488 -0.300 50 20 JBGD COC[C@H](NC(C)=O)C(=O)N1CCCC12CN(C(=O)CN(C)NC(=O)NCc1ccccc1)C2 1844386383 ZTJFRXKNZURKOC-IBGZPJMESA-N 474.562 -0.313 50 20 JBGD CC[C@@H](C)NC(=O)CN1CCN(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)CC1 728944397 BRORARXAUONSMR-CQSZACIVSA-N 453.569 -0.134 50 20 JBGD CCn1cnc2c1c(=O)n(CC(=O)NNC(=O)CN(C)C(C)C)c(=O)n2Cc1ccccc1 745421026 IAAJPNMWRXJLIG-UHFFFAOYSA-N 455.519 -0.085 50 20 JBGD COC(=O)/C=C/c1cc(OC)c(OC)c(S(=O)(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)c1 921021550 UYGUVGAWTVLKTD-ZYOFXKKJSA-N 462.502 -0.366 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)c3cnc4ccc(F)cn34)C2)C1 1782459833 JDZBSAGGVPZBIC-QFIPXVFZSA-N 452.251 -0.090 50 20 JBGD Cc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)ncc1[N+](=O)[O-] 1787639665 CXBZGMGSZOJZFA-KNBMTAEXSA-N 468.275 -0.115 50 20 JBGD COc1ncc(Cl)cc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1792401228 BOYPZJZJJIVUNU-ZSBFGKGUSA-N 459.695 -0.060 50 20 JBGD C[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN)n1cccc1C=O 1797750827 UYJMYBFOWSAMOH-ZTENYAIWSA-N 454.487 -0.237 50 20 JBGD CN(CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc(O)nc1O)C2)NC(=O)NCc1ccccc1 1799094955 MNCLCVYVKBGSOC-HGKCTWBKSA-N 499.528 -0.563 50 20 JBGD CN(CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C[C@@H]1NC(=O)NC1=O)C2)NC(=O)NCc1ccccc1 1799865917 RCSAOTUCKXGPAV-MHORFTMASA-N 485.545 -0.431 50 20 JBGD O=C(CCN1CCOCC1)Nc1nc2c(s1)C[C@H](NC(=O)c1cccc(B(O)O)c1)CC2 1814639234 QHTNHQSZFVCGGX-MRXNPFEDSA-N 458.349 -0.229 50 20 JBGD C[C@H](NC(=O)c1cnccn1)C(=O)N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815357142 ZVVWCWOLEMHARD-WFASDCNBSA-N 494.342 -0.343 50 20 JBGD CC(=O)OC[C@H](OC(C)=O)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1 1817476559 WSRPCGQDSNYKPQ-OALUTQOASA-N 486.290 -0.110 50 20 JBGD COC[C@@H](NC(C)=O)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCC(=O)NN(C)C)n[nH]1 1822414412 FEPSFWDADTZGBX-HZPDHXFCSA-N 451.528 -0.074 50 20 JBGD Cc1cn(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(B(O)O)c3)CC2)c(=O)nc1O 1827059788 IXFJOFKWHUWEJN-FQEVSTJZSA-N 482.346 -0.129 50 20 JBGD C[C@H](NC(=O)c1ccccn1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830736970 ZDECISLDAJCLSD-DKICVRJWSA-N 454.911 -0.744 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCC(N2CCC(NC(=O)CC[C@H](N)C(N)=O)CC2)CC1 1834733488 QEJRROUKZOQAPE-UEYIPHHSSA-N 488.593 -0.715 50 20 JBGD CC(C)(NCCC#N)C(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834797970 RBBLPKRTJWTAIH-UHFFFAOYSA-N 469.395 -0.167 50 20 JBGD COc1cccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)c1 1835030419 QULJBUCODBAGDQ-DEOSSOPVSA-N 468.315 -0.312 50 20 JBGD O=C(Cc1ccccc1F)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835935984 ZCMSVIOVVSKJMK-HSZRJFAPSA-N 456.279 -0.182 50 20 JBGD COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)c1 1835938150 NGHUDBTWRKACLT-XMMPIXPASA-N 479.298 -0.370 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc4ccccc4[nH]3)C2)C1 1837458798 CYNAZWJECUYCPS-QHCPKHFHSA-N 479.497 -0.055 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)Cn1cncn1)CCO2 1837643573 STDIEQMHKKCDOJ-IUMCCBBESA-N 486.533 -0.495 50 20 JBGD Cc1ncncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1838095224 ZZEZLIYIRVUJIE-OAQYLSRUSA-N 455.475 -0.833 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CC[C@H]3CCC(=O)N3C1)CCO2 1839084515 FNMAJZRWGLQGRY-STSQHVNTSA-N 479.578 -0.783 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccn3nccc13)CCO2 1839539398 MFNVXNNQGKXZAH-QHCPKHFHSA-N 479.497 -0.283 50 20 JBGD O=C([C@H](O)CCl)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CC(c3ccccc3)=NN1)CCO2 1839633363 DZIUGHTYPPQJSH-OPYAIIAOSA-N 450.923 -0.191 50 20 JBGD CC[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCN3C(=O)C=CC3=O)C2)C1 1839962386 CKJYUZSQIFUPIE-IFXJQAMLSA-N 472.336 -0.069 50 20 JBGD CC[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cc(C)c(O)nc3=O)C2)C1 1839967455 MYPNBRBGIKELEL-AUUYWEPGSA-N 487.351 -0.113 50 20 JBGD C[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(=O)n4[nH]cnc4n3)C2)C1 1840032248 SIPRYYVPAKLNKU-PIGZYNQJSA-N 469.296 -0.729 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3c(O)cc(O)cc3O)C2)C1 1840185703 VTOPCRGNIQPZRK-NRFANRHFSA-N 466.491 -0.754 50 20 JBGD CC(C)(C)OC(=O)N1CC[C@@H](O)[C@H](C(=O)N2CCCC23CN(C(=O)c2ccc(B(O)O)cc2)C3)C1 1843823169 MXOFDEFDWAAOMO-RTBURBONSA-N 487.362 -0.199 50 20 JBGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C 16203017 HGOHIMVBZYEUCQ-UHFFFAOYSA-N 498.587 -0.278 50 20 JBGD COc1cc(C(=O)NNC(=O)NCCN2CCN(S(C)(=O)=O)CC2)cc(OC)c1OC 746510994 AIMHWBDKAQBSTH-UHFFFAOYSA-N 459.525 -0.766 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)[C@@H]3[C@@H](O)CCN3Cc3ccccc3)C2)C1 1782809764 AMRDSWBISRDTKX-FXSPECFOSA-N 493.369 -0.555 50 20 JBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3nn[nH]c3c1)C2 1797754089 TWYGBUCNMBIPKM-IVWMJMPLSA-N 450.459 -0.527 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1C(=O)C=CC1=O 1801120268 PFTZZSQUIZSKGB-GFENJXEQSA-N 486.437 -0.352 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C4CC4)on3)CCO2)C1 1830196750 YDLDIESMFDCEMX-JOCHJYFZSA-N 470.486 -0.066 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cnc4ccccn34)CCO2)C1 1830661784 ISQNHICLODMWGR-XMMPIXPASA-N 493.524 -0.355 50 20 JBGD CC(C)[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1831493481 SHLJJSDVCMNVAD-OXQOHEQNSA-N 451.549 -0.291 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(O)n(C)n1)CCO2 1833406656 YBXIBWWLPBUQHM-VSIOZEBNSA-N 473.490 -0.670 50 20 JBGD CCc1ncccc1C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835935048 CZGYKUOFZRBHDW-QHCPKHFHSA-N 453.304 -0.292 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)[C@H]3Cc4ccccc4CN3)C2)C1 1835936919 JVIGXSILJQLNEZ-RDGATRHJSA-N 479.342 -0.849 50 20 JBGD C[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837461508 WVVZIXPCEWDZPW-KPZWWZAWSA-N 470.324 -0.462 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837531880 ZCIGFRLDHMYBPH-UZLDXKMBSA-N 490.517 -0.716 50 20 JBGD Cc1cc(C(=O)NCC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](F)Br)C3)C2)no1 1837549405 UTZZTEZGCMESKF-YOEHRIQHSA-N 477.287 -0.140 50 20 JBGD CCOC(=O)c1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)ccn1 1838719434 WBMNDZXAUFLVOP-JXFKEZNVSA-N 455.895 -0.072 50 20 JBGD CC(=O)N/C(=C\c1ccco1)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1839389327 IMSGLWCRAPYLGM-DNQIBQKISA-N 497.313 -0.793 50 20 JBGD CC[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3C(=O)CNC3=O)C2)C1 1839962632 LZVOGWNGTJZWOH-YVEFUNNKSA-N 461.313 -0.832 50 20 JBGD CC(=O)OC[C@H](OC(C)=O)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)Br)CCO2 1840033828 SCNLRSSQABLCOS-MRAWALMUSA-N 479.324 -0.279 50 20 JBGD Cc1nccn1[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1840493029 PKZCHLBCIJMQTQ-HRAATJIYSA-N 450.540 -0.418 50 20 JBGD COc1cc2c(cc1OC)[C@H](CC(=O)NNC(=O)NCCn1cncn1)N(S(C)(=O)=O)CC2 726708877 IZKKLNOIQOBILP-HNNXBMFYSA-N 481.535 -0.425 50 20 JBGD CN1CCN(S(=O)(=O)N2CCN(C(=O)NNC(=O)CCCc3ccccc3)CC2)CC1 727845356 MLWRKXVBBWMDNM-UHFFFAOYSA-N 452.581 -0.140 50 20 JBGD C[C@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1cc(S(C)(=O)=O)ccc1Br 728509925 BXSJDKBFBRRXJE-ZETCQYMHSA-N 478.368 -0.900 50 20 JBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Cc2nc(-c3ccccc3)cs2)n(C)c1=O 802581212 IHTVESIEWDGNKI-UHFFFAOYSA-N 453.484 -0.053 50 20 JBGD CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)NNC(=O)c2csc(N3CCOCC3)n2)cc1 912852251 XSIJMVOERNBRMX-UHFFFAOYSA-N 497.555 -0.104 50 20 JBGD COc1cc2c(cc1OC)[C@@H](CC(=O)NNC(=O)[C@H](C)S(C)(=O)=O)N(S(C)(=O)=O)CC2 916159654 WJQMFYIOSLHBFO-SMDDNHRTSA-N 477.561 -0.467 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2n[nH]c3c2CS(=O)(=O)C3)C1 1777715519 PDXFMMUYKUANCZ-IIBYNOLFSA-N 496.590 -0.661 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnc(O)nc2O)C1 1778008617 RUKDQLSZLGXHDB-JLTOFOAXSA-N 450.496 -0.612 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3ON=C(c4ccccc4)O3)C[C@@H]21)c1ccc(B(O)O)cc1 1786979815 RHMOUXMDNQJHBY-TYZOXTDXSA-N 479.298 -0.306 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CN(Cc3ccccc3)CCO1)C2)c1ccc(B(O)O)cc1 1795734075 AWRPLRISIKCWKE-DVKRWUGUSA-N 493.369 -0.529 50 20 JBGD CC(=O)Nc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)ccn1 1796745029 DAJXJSISGLHJGB-XEMDLRDOSA-N 452.276 -0.763 50 20 JBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc3c1NC(=O)C3=O)C2 1797751836 UBAQTELZBQYETC-DPIQGUFMSA-N 478.465 -0.663 50 20 JBGD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1cnncc1C(=O)O)CC2)c1ccc(B(O)O)cc1 1815344089 GYLHALMCVHQYBW-LBPRGKRZSA-N 467.272 -0.149 50 20 JBGD CCS(=O)(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](C)CBr)CCO2)C1 1830534947 FKRRUMUFEASDOH-VBQJREDUSA-N 484.413 -0.198 50 20 JBGD CS(=O)(=O)c1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)nc1 1830724993 KSWQOPHKBKMBKR-MAUKXSAKSA-N 461.924 -0.845 50 20 JBGD O=C1COc2ccc(C(=O)N3CCOC[C@]4(C3)CN(C(=O)[C@H](O)CCl)CCO4)cc2N1 1830731909 RWBUTBZUSJNHRS-QRWLVFNGSA-N 453.879 -0.313 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1CCC(CO)CC1)CCO2 1832521492 CKVSBYVSXCAZIN-PVWAMWICSA-N 475.546 -0.446 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](N)c1ccccn1)CCO2 1835700937 XDNOACMRVGVRGC-LRWFOOHYSA-N 483.529 -0.328 50 20 JBGD Cc1cc(C)nc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)c1 1835928169 GUXKXHWDJJEBOT-HSZRJFAPSA-N 453.304 -0.238 50 20 JBGD Cc1cc(C)n2ncc(C(=O)N3CCOC[C@]4(CN(C(=O)c5ccc(B(O)O)cc5)CCO4)C3)c2n1 1835930217 CUQRZYMPQGPWGS-DEOSSOPVSA-N 493.329 -0.590 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)c3cc4cccnc4[nH]3)C2)C1 1835930384 IEETZWXIFZCNPM-QHCPKHFHSA-N 464.287 -0.374 50 20 JBGD O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835932326 ZKCFGRIIXAZIMG-JOCHJYFZSA-N 487.249 -0.203 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(Cl)nn1)CCO2 1837834032 NRAJHYIZRGQFFZ-FQEVSTJZSA-N 460.683 -0.806 50 20 JBGD CCc1noc(C)c1C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1838056073 NVISQMLBZYIVAE-QFIPXVFZSA-N 457.292 -0.391 50 20 JBGD C[C@H](Br)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCCS1(=O)=O)CCO2 1839784601 RWMBESQEELCIMR-ZENOOKHLSA-N 453.355 -0.197 50 20 JBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)CN(C)S(=O)(=O)c3cccnc3)cc2)CC1 728214266 NUTPFYKZXIETSR-UHFFFAOYSA-N 482.588 -0.219 50 20 JBGD O=C(COC(=O)CCNS(=O)(=O)c1cccnc1)NNC(=O)[C@@H]1COc2ccccc2O1 728322545 JFWKYAOGKQEDTP-INIZCTEOSA-N 464.456 -0.719 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)c3cnc4snnc4c3)CCO2)C1 1779032657 PXAHDQIDTMCRMK-FQEVSTJZSA-N 468.499 -0.158 50 20 JBGD Cc1ccc(C(=O)NCC(=O)N2CCO[C@@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)cc1 1779035452 HUMBHACIDUYHCZ-DEOSSOPVSA-N 480.525 -0.133 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1CCc3nc(O)nc(O)c3C1)CCO2 1783933496 MEOVEIHYVDMSIG-JLCFBVMHSA-N 476.534 -0.804 50 20 JBGD CC(C)(C)OC(=O)N1C[C@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc(B(O)O)c2)C3)[C@@H](O)C1 1799982314 VVZCFZFUDYBCHR-WPVAHCMFSA-N 487.362 -0.154 50 20 JBGD O=C(NC[C@H]1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807369622 QLNCNSYQTSWUDT-DYESRHJHSA-N 478.274 -0.114 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCC2(CCCN(C(=O)[C@@H](N)CCC(N)=O)C2)CC1 1809681865 HEJJDNHQXYZHOF-WBILBPDKSA-N 459.551 -0.056 50 20 JBGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1cnncc1C(=O)O)CC2)c1cccc(B(O)O)c1 1815361076 WEWPPOCWMKSDBA-GFCCVEGCSA-N 467.272 -0.149 50 20 JBGD O=C(COC1CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1830373575 CBMMZLRRZPMUBL-HSZRJFAPSA-N 460.336 -0.214 50 20 JBGD CN1Cc2ccccc2C[C@@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1832468865 SUDLTNLVSUAXIZ-BVAGGSTKSA-N 493.369 -0.507 50 20 JBGD CNCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CN(C)NC(=O)NCc3ccccc3)C2)C1 1835663311 ZFDWAHCZOKMFQM-DEOSSOPVSA-N 490.605 -0.211 50 20 JBGD C[C@@H](Cn1cncn1)C(=O)NC1CCN(C2CCN(C(=O)c3cnccc3C(=O)NN)CC2)CC1 1835810377 OETDIUDCDLTSGH-INIZCTEOSA-N 483.577 -0.202 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)c3ccc(F)nc3F)C2)C1 1835926166 HWDKANKGGWAJQU-NRFANRHFSA-N 461.230 -0.577 50 20 JBGD O=C1Cc2cc(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)c3ccc(B(O)O)cc3)CCO4)ccc2N1 1835930400 IJNIKQWSOSDNLA-XMMPIXPASA-N 479.298 -0.755 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4c(F)cccc34)C2)C1 1835930776 ZECZADZJOXOTDC-HSZRJFAPSA-N 482.277 -0.234 50 20 JBGD O=C(Cc1ccc(F)cn1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835935574 LLLUEDWWAXHJFT-JOCHJYFZSA-N 457.267 -0.787 50 20 JBGD Cc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)c4cnccc4C(=O)NN)CCO3)C2)n(C)n1 1837456589 KVVSKIONCYMNEC-NRFANRHFSA-N 457.491 -0.889 50 20 JBGD CC[C@@H](NC)C(=O)N1CCOC[C@]2(CN(C(=O)CN(C)NC(=O)NCc3ccccc3)CCO2)C1 1839054375 WAPUSXKQBGMHRP-YKSBVNFPSA-N 490.605 -0.213 50 20 JBGD C[C@](Cl)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)CCN3C(=O)C=CC3=O)C2)C1 1839150797 XTKIGQQXLKEPHK-OALUTQOASA-N 462.330 -0.006 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3nc4ccc(F)cn4n3)CCO2)C1 1839624996 WHYLJAMGDAGMQY-QFIPXVFZSA-N 498.475 -0.749 50 20 JBGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CS(=O)(=O)N3CCCC3)C2)C1 1840152635 OLIPUMJKLBXXBW-QAPCUYQASA-N 467.972 -0.878 50 20 JBGD CCS(=O)(=O)N[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN(C)NC(=O)NCc1ccccc1 1847786580 WMWSDONEPABYRY-NEWSRXKRSA-N 494.618 -0.138 50 20 JBGD O=C(NNS(=O)(=O)c1ccc(-n2cnnn2)cc1)c1cccc(S(=O)(=O)N2CCOCC2)c1 747410521 USIFZOVISHPANR-UHFFFAOYSA-N 493.527 -0.694 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)c3cc(=O)nc4sccn34)C2)C1 1779949477 XWRWXSSGPGTJNY-OAQYLSRUSA-N 468.300 -0.807 50 20 JBGD O=C(Cn1ccc2sccc2c1=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1794042401 XHYVDYSQDGUOPE-VPTLXERWSA-N 481.339 -0.354 50 20 JBGD COc1c(Cl)ccnc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795735241 RLQPGBCSUCWPAO-XOIINTDNSA-N 459.695 -0.060 50 20 JBGD Cc1c(Br)c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)nn1C 1795740349 WISHOXYKGHRXGK-XOIINTDNSA-N 491.151 -0.312 50 20 JBGD O=C(NC[C@@H]1CCN(C(=O)CN2C(=O)C=CC2=O)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807375620 UGLPMUKKRGWWCL-HTAPYJJXSA-N 462.271 -0.994 50 20 JBGD CS(=O)(=O)CCC(=O)N1CC[C@@H](CNC(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1810308653 LGGCLXFDIFLGMD-KXBFYZLASA-N 474.543 -0.166 50 20 JBGD Cc1cc(C(=O)NCC(=O)NC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)no1 1810376431 QOCKBHALWCBKRS-AVRDEDQJSA-N 491.313 -0.193 50 20 JBGD Cn1c(=O)c2c(ncn2CC(=O)N2CCCC[C@H]2c2cc(NC(=O)[C@H](O)CCl)n[nH]2)n(C)c1=O 1814868324 YQBDVVOKHUSDHB-QWHCGFSZSA-N 492.924 -0.551 50 20 JBGD O=C(N[C@@H]1CCc2nc(NC(=O)c3cc(=O)n4[nH]cnc4n3)sc2C1)c1ccc(B(O)O)cc1 1815328144 INXZXHVCGUUSDY-GFCCVEGCSA-N 479.287 -0.907 50 20 JBGD CCOC(=O)N[C@H](O)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCC(=O)NN(C)C)n[nH]1 1822416180 UCFAINNUWJWIRY-SUMWQHHRSA-N 453.500 -0.161 50 20 JBGD CCS(=O)(=O)N[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(B(O)O)c2)CC1 1824459610 DQISLLQYDDVLAE-OXJNMPFZSA-N 479.408 -0.073 50 20 JBGD O=C([C@@H](O)N1CCOCC1)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827057996 OWNBXIKZTQIICR-NZQKXSOJSA-N 459.352 -0.750 50 20 JBGD O=C1CC(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCN3C(=O)OCc2ccccc2)=NN1 1828551113 JAXVOBFXFQKZCZ-JTSKRJEESA-N 491.932 -0.086 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCC(F)(F)C1)CCO2 1829651013 XGWRUFYUNOKIOK-UZLBHIALSA-N 452.263 -0.128 50 20 JBGD COCCOCCOCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830738634 RASIUGGECMSOSL-QFBILLFUSA-N 452.932 -0.888 50 20 JBGD COc1ncc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)cc1F 1833484878 SKLCYLNNNBRSDF-JOCHJYFZSA-N 488.476 -0.388 50 20 JBGD Cc1nccnc1C(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834798348 KNVRZFIQDRAFIE-UHFFFAOYSA-N 451.336 -0.036 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)C(Cl)Cl)CC2)CC1)c1cc(=O)n2[nH]nnc2n1 1834973258 KMKICEQZSICJAO-UHFFFAOYSA-N 457.322 -0.199 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)C3(Br)CC3)C2)C1 1835930977 BJMQXIZOUBOKHT-SFHVURJKSA-N 467.125 -0.636 50 20 JBGD O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835932166 RAQWGLLFGVTFMP-JOCHJYFZSA-N 485.258 -0.636 50 20 JBGD O=C(Cc1cccc(Cl)n1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835935267 LORRRBQKZIIUMM-JOCHJYFZSA-N 473.722 -0.273 50 20 JBGD CC(C)(C)n1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)n1 1835935295 NJCDUSKVYWOPTO-HSZRJFAPSA-N 470.335 -0.298 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)c3cc4cccn4cn3)C2)C1 1835936807 DYXDOMXXPYPFSM-QHCPKHFHSA-N 464.287 -0.602 50 20 JBGD Cc1ccc(O)c(C(=O)N2CCOC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)c1 1835939359 NXVRIRWMLMDAHG-QHCPKHFHSA-N 454.288 -0.236 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3coc(Cl)n3)C2)C1 1837456986 RQSFUGQBEVZETF-LJQANCHMSA-N 464.866 -0.290 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccn(C(F)F)c3=O)C2)C1 1840185290 JHBLLYXDVZZPBH-OAQYLSRUSA-N 485.488 -0.314 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](CCO)NC(=O)OC(C)(C)C 1847644480 XEUNQIVPJVFMQW-JYJNAYRXSA-N 455.556 -0.163 50 20 JBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNS(=O)(=O)c2ccc3c(c2)NC(=O)CO3)cc1 24258377 ARFKMOICDNDWNK-UHFFFAOYSA-N 468.513 -0.044 50 20 JBGD Cc1nn(C)c(=O)c(C(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1C 728160016 GBSUEEVPQOQNGW-UHFFFAOYSA-N 477.543 -0.188 50 20 JBGD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)NNC(=O)C(=O)NC(C)C)CC1 744446541 CWCGZOIMKWQFMI-UHFFFAOYSA-N 455.493 -0.024 50 20 JBGD Cn1nc(SCC(=O)NN=Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)c(=O)n(C)c1=O 839410025 FERMXFJBIIXHLW-UHFFFAOYSA-N 457.472 -0.117 50 20 JBGD CS(=O)(=O)N1CCC[C@H](NC(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)C1 920238815 LHSFIJKRHPWPAE-KRWDZBQOSA-N 452.581 -0.047 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)c3ccc(-n4c(O)nnc4O)cc3)C2)C1 1780200566 BNSWUMTVSFICRP-QHCPKHFHSA-N 493.285 -0.884 50 20 JBGD CSCC[C@@H](O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cnccc1C(=O)NN)C2 1782228054 OTLLOOOGOZNBAJ-CBGDNZLLSA-N 465.576 -0.073 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CNC(=O)C1)C2 1793879259 SRKJXRXTNIUWJM-USRAEIGSSA-N 458.943 -0.156 50 20 JBGD COC(=O)CSCC(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807360615 TULHOWDLTZKJPW-UTKZUKDTSA-N 471.344 -0.013 50 20 JBGD CN[C@H](CC(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1)C(=O)O 1807361615 BSWAKPGJYZAPLP-HQRMLTQVSA-N 454.292 -0.856 50 20 JBGD CN1C(=O)CC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1808756679 BLKBPXMDVCTZSX-CUWPLCDZSA-N 450.304 -0.298 50 20 JBGD Cc1cn(CC(=O)N2CC[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@@H]2c2cccnc2)c(=O)nc1O 1813073037 FKCPMZYWAAIDLB-UWJYYQICSA-N 485.545 -0.269 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1CCN(C)CC1)CCO2 1829890040 RVUSXDQTMMKVHM-VAHWYXDJSA-N 474.562 -0.081 50 20 JBGD CC(C)(C)n1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)cn1 1833452156 ABMNLOJOIYSNFW-HSZRJFAPSA-N 470.335 -0.298 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(O)nc(Cl)c1)CCO2 1833583058 JUXLSSXMAZIOCW-HXUWFJFHSA-N 469.926 -0.116 50 20 JBGD CC[C@H](NC(C)=O)C(=O)N1CCC(N2CCC(NC(=O)c3cccc(B(O)O)c3)CC2)CC1 1834800477 HVGQYCVDSWZFGF-NRFANRHFSA-N 458.368 -0.534 50 20 JBGD Cc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)c(C)n1 1835931229 IUGMMSRENUFHFA-HSZRJFAPSA-N 453.304 -0.238 50 20 JBGD Cc1nc(F)ccc1C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835931689 XGUDYQCPPABFCK-QFIPXVFZSA-N 457.267 -0.407 50 20 JBGD COc1ccnc(C(=O)N2CCOC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)c1 1835938560 YKSBLQJGGBGMBC-QFIPXVFZSA-N 455.276 -0.846 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)c3cc4cccnc4nc3O)C2)C1 1835939338 MQMORNMSAXLXBV-DEOSSOPVSA-N 492.297 -0.601 50 20 JBGD N#Cc1ccccc1OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835940794 ANKDWYALCUKHEZ-DEOSSOPVSA-N 479.298 -0.613 50 20 JBGD Cn1ncc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cnccc4C(=O)NN)CCO3)C2)c1Cl 1837459461 QIJVRLAZPUCJKM-FQEVSTJZSA-N 477.909 -0.544 50 20 JBGD CC(C)n1nccc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1838021460 BSEIQPQARBGPQL-QFIPXVFZSA-N 471.518 -0.154 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@]2(COCCN(C(=O)COCCO)C2)C1 1838528126 GLQMQXFREKBOIA-NRFANRHFSA-N 481.458 -0.401 50 20 JBGD CC(=O)Nc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)cc1O 1839472639 HOSZIULBLDORAO-XMMPIXPASA-N 497.313 -0.586 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1[C@H]3C=CS[C@H]31)CCO2 1839697445 VRDYAQGYESAQPL-OILHZVAOSA-N 459.528 -0.370 50 20 JBGD C[C@](O)(CC(=O)O)CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1840181181 SEBSWLRJNMSOLU-IMJJTQAJSA-N 455.277 -0.251 50 20 JBGD CCN(CC)C[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840185036 JXDKRHWWLWKADE-PGRDOPGGSA-N 455.600 -0.206 50 20 JBGD Cc1nccn1[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840185957 UPRACWYMFUAIKJ-IERDGZPVSA-N 450.540 -0.418 50 20 JBGD O=C(c1ncn2nc(N3CCOCC3)ccc12)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843013827 SGFVMCSUGAXRBN-UHFFFAOYSA-N 490.329 -0.624 50 20 JBGD O=C(CNC(=O)c1cccs1)NNC(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 726710506 CYDXWRRNAGWABK-UHFFFAOYSA-N 460.520 -0.663 50 20 JBGD C[C@@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCC(=O)NN(C)C)C1)[C@H]1SC(=N)NC1=O 1782211829 ALDGHTXSCAUYHT-DDBGFLLRSA-N 482.607 -0.324 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1cnc2c(c1)CCNCC2 1790618567 PQOGDCMUUUOUJT-HARLFGEKSA-N 478.358 -0.643 50 20 JBGD C[C@H](Nc1cccnc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1795605429 VJEBAUWMVOIKAX-ZTENYAIWSA-N 453.503 -0.216 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)c2nccnc2C(N)=O)[C@H]1c1cccnc1 1811189222 TWIXACGSZHEVLI-MGPUTAFESA-N 468.518 -0.337 50 20 JBGD CN(C)C(=O)NCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cnccc2C(=O)NN)[nH]n1 1814561037 IZDYNUAEVQYVFK-HNNXBMFYSA-N 457.495 -0.015 50 20 JBGD O=C(CCN1CCOCC1)N[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815339632 KPBQFZSVLHBECC-MRXNPFEDSA-N 458.349 -0.229 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(=O)n3[nH]cnc3n2)n[nH]1 1817469053 LYMDGWIEBCPTBI-HNNXBMFYSA-N 491.472 -0.241 50 20 JBGD O=C1NC(=O)[C@@H](CC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)N1 1825071776 LGFZMSDINFMSEQ-MSOLQXFVSA-N 456.308 -0.802 50 20 JBGD COc1ccc([C@H](O)C(=O)N2CCO[C@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)cc1 1830221430 NZGKOVSIEYKKLD-GMAHTHKFSA-N 478.546 -0.442 50 20 JBGD C[C@@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3ccncc3=O)C2)C1 1830543772 CNRUIISSBTWDJU-KBXCAEBGSA-N 457.325 -0.269 50 20 JBGD CCC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C2)C1 1831181532 MLPPFNRDCGWCQD-BWSRREPNSA-N 476.534 -0.509 50 20 JBGD CCCNC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1831205949 YOSVXKAXGSPVPZ-NRFANRHFSA-N 455.556 -0.878 50 20 JBGD CC[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1)N(CC)CC 1831674600 JJAQYESHWUMSSF-AVRDEDQJSA-N 455.600 -0.064 50 20 JBGD Nc1nc2cc(C(=O)N3CCOC[C@]4(C3)CN(C(=O)c3ccc(B(O)O)cc3)CCO4)ccc2s1 1835928454 QYAHXBWKVWOFQT-QHCPKHFHSA-N 496.354 -0.058 50 20 JBGD O=C(c1ccc2nccn2c1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835930719 VYUOCMVOANPUFY-QHCPKHFHSA-N 464.287 -0.602 50 20 JBGD Cc1c(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)nc2ccccn12 1835936812 FFQWBLQYKUXNRS-XMMPIXPASA-N 478.314 -0.294 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)c1ccn3cncc3c1)CCO2 1837077104 BTJYJFFGNJHDOI-QHCPKHFHSA-N 464.287 -0.602 50 20 JBGD Cc1nnsc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837457563 JKKOJLKOFRDEIX-LJQANCHMSA-N 461.504 -0.771 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3[nH]nc4ccncc34)C2)C1 1837457776 QQMMXTYDIMFGCG-JOCHJYFZSA-N 480.485 -0.660 50 20 JBGD O=C(C/N=C/c1ccco1)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1837563380 XLINVKXNWSLRSU-XUHCNCODSA-N 455.276 -0.852 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CNC(=O)C1)CCO2 1839873090 VHKFFMSNMIJIIS-IVZQSRNASA-N 490.469 -0.274 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4nccn4c3)C2)C1 1840184503 RBFJXHISWIEPGN-JOCHJYFZSA-N 458.519 -0.223 50 20 JBGD COC(=O)NCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](CCl)NC(=O)OC(C)(C)C)C2)C1 1840318864 FMRUIKXKMBBDDW-VBKZILBWSA-N 492.957 -0.069 50 20 JBGD CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cc1 14870816 XJPBLXWLWKKKST-LBPRGKRZSA-N 453.564 -0.539 50 20 JBGD O=C(NNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)N[C@@H]1CCS(=O)(=O)C1 919885198 NSDRBCOQRCCELH-TZMCWYRMSA-N 462.525 -0.256 50 20 JBGD CCNC(=O)NNC(=O)CSCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC 920858808 FGZLEOWJEIFFMP-UHFFFAOYSA-N 489.576 -0.262 50 20 JBGD CSCC[C@H](O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnccc2C(=O)NN)C1 1779375566 PQUGKCPNVMXZJU-CSODHUTKSA-N 465.576 -0.073 50 20 JBGD COc1ccc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)c(C#N)c1 1781173634 HPSUOPROLWRJAX-XMMPIXPASA-N 463.299 -0.067 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(N4CCOCC4)n3)[C@H]2C1 1787656982 IYFUKIAXAVICTM-BJLQDIEVSA-N 488.589 -0.116 50 20 JBGD CC(=O)N[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1ccc(F)cc1 1789698563 RDJMKYIZGWZNLP-FDTGPBLFSA-N 497.332 -0.024 50 20 JBGD CC(C)(C)OC(=O)N1CC[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](O)CCl)[C@@H](O)C1 1792972416 OJSAVGCNHGGBEE-NEXGVSGLSA-N 475.970 -0.206 50 20 JBGD COc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)cc(Cl)n1 1795740321 SCMLPZFLYQNJAZ-CCWDJLKJSA-N 459.695 -0.060 50 20 JBGD CN(CC(=O)N1CCC2(CCCN(C(=O)[C@@H](N)CN)C2)CC1)NC(=O)NCc1ccccc1 1810859762 NPHPQQQSZBOQMP-IBGZPJMESA-N 459.595 -0.150 50 20 JBGD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1)c1cc(=O)n2[nH]cnc2n1 1817466758 UBDPPAKOGNEUMG-MRXNPFEDSA-N 476.262 -0.560 50 20 JBGD C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1830300501 UFIKLDVQCYOHIB-QMHKHESXSA-N 491.350 -0.650 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1COc3ccccc3O1)CCO2 1832492730 ONASZEFVTBSTGP-ZJSXRUAMSA-N 482.298 -0.724 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)c3ccc(O)cn3)CC2)CC1)c1ccc(B(O)O)cc1 1834798010 UYWCFNIFDPBWPT-UHFFFAOYSA-N 452.320 -0.034 50 20 JBGD Cc1cccc2c(C(=O)N3CCOC[C@@]4(CN(C(=O)c5ccc(B(O)O)cc5)CCO4)C3)n[nH]c12 1835932209 UAONZAFERQCXIY-XMMPIXPASA-N 478.314 -0.065 50 20 JBGD CCOC(=O)c1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)ccn1 1835937954 CGWCTZUQTXPODB-DEOSSOPVSA-N 497.313 -0.678 50 20 JBGD O=C(CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2)Nc1ccc(F)cc1 1835939732 YOKVZHXGYPOOOE-XMMPIXPASA-N 499.304 -0.396 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc4c3OCCO4)C2)C1 1837459678 WFKFIIDHRXNAHP-XMMPIXPASA-N 497.508 -0.160 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3C[C@]3(F)Cl)C2)C1 1837460531 HCGPMMAWXCKVBE-NIKGAXFTSA-N 455.874 -0.320 50 20 JBGD COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)c1 1838581813 RCWSVNPHOZBHTN-XMMPIXPASA-N 479.298 -0.370 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCCN(C)C1)CCO2 1839064535 BSKGKGRSWJWMTF-OCAHMQCSSA-N 474.562 -0.081 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@]1(C)CCCN1)CCO2 1839121439 IKZHPXZXBZNZCC-VJQCLJIBSA-N 460.535 -0.281 50 20 JBGD Cc1nc2ccc(F)cn2c1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1839526170 DWGMJYXPPYZVCN-DEOSSOPVSA-N 496.304 -0.155 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc3nccn13)CCO2 1839552211 NQTFLZYGGWIOIX-HSZRJFAPSA-N 479.497 -0.283 50 20 JBGD O=C(Cc1ccc2c(c1)CCO2)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1839998241 KBJRXZIIKLHBSE-VWLOTQADSA-N 480.326 -0.386 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3Cc4ccccc4CN3C)C2)C1 1840183049 ZTZDCIZSZPRULM-OFVILXPXSA-N 487.601 -0.128 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(-n4cccn4)nc3)C2)C1 1840184827 BJCJCZFORIVHOL-QHCPKHFHSA-N 485.545 -0.290 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(N)=O)CCO2)C1 1840918881 XZEMCBBLIUEPGL-DJJJIMSYSA-N 477.946 -0.757 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)[C@@H]2CCc3nc(O)nc(O)c3C2)C1 1842057608 RBOMHVHLAFXPBI-CQSZACIVSA-N 452.276 -0.810 50 20 JBGD C[C@@H](C(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)N1C(=O)NC2(CCCC2)C1=O 726523797 YTWBNIDCYIKFPU-LBPRGKRZSA-N 451.505 -0.049 50 20 JBGD COc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)CNS(=O)(=O)c1cn(C)c(C)n1 727006953 PVSCWXLUTVDSOJ-UHFFFAOYSA-N 473.895 -0.327 50 20 JBGD O=C(CNC(=O)c1ccco1)NNC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@H]1CCCO1)C2=O 751202524 FWHJRCAMOBDJEK-CYBMUJFWSA-N 476.467 -0.206 50 20 JBGD Cn1cc(S(=O)(=O)NCC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)cn1 915635604 RZAQPOCVCOGFBG-UHFFFAOYSA-N 484.560 -0.666 50 20 JBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](F)Br)C2)c1cc(=O)n2[nH]nnc2n1 1777821994 SFBWKYYSZSIYCY-NSODJVPESA-N 472.275 -0.369 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](C)N3CCN(C)CC3)C2)C1 1781094694 LCIQMSCGYCTIAZ-YRBPKABKSA-N 473.578 -0.414 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@@]2(CCN(C(=O)CN(C)C(=O)C(=O)O)C2)C1 1782750121 VBWLDKNTDUUXNX-OAQYLSRUSA-N 492.441 -0.493 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1CC(=O)N(C3CCCC3)C1)CCO2 1783933660 UQVLYQHAYUETNX-SBUREZEXSA-N 463.579 -0.020 50 20 JBGD CNC(=O)CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN(C)NC(=O)NCc3ccccc3)C[C@@H]21 1784411503 CSUJUTGSUPOJGT-FHWLQOOXSA-N 474.562 -0.552 50 20 JBGD CN(C)C(=O)c1cccc(C(=O)N2CC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)c1 1785283248 QTLJXRGMZSABNW-XMMPIXPASA-N 465.315 -0.175 50 20 JBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(=O)nc2sccn12 1798414253 RLMPRSXVWTXYIG-IVWMJMPLSA-N 462.532 -0.668 50 20 JBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccccc1-n1nccn1 1799671888 VRFYKDODGLYKMM-VPTLXERWSA-N 455.519 -0.157 50 20 JBGD CN(CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](O)N1CCOCC1)C2)NC(=O)NCc1ccccc1 1799871732 ZKKXOTOWKLEFQU-VLVHOKLOSA-N 488.589 -0.379 50 20 JBGD COCCOCCOCCOCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(B(O)O)cc1)C2 1800204753 LLZQYYXTVZJLQL-KOUNCHBCSA-N 492.378 -0.296 50 20 JBGD O=C(Cn1ccccc1=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807439716 XVTUVXORMOGZPF-WMZHIEFXSA-N 460.299 -0.057 50 20 JBGD CN1CCN(C2(C(=O)NC[C@H]3CCN(C(=O)c4ccc(B(O)O)cc4)[C@H]3c3cccnc3)CC2)CC1 1807941011 OXSOYSUMLVFROP-GGAORHGYSA-N 491.401 -0.139 50 20 JBGD CN1CCN(CC(=O)NC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)CC1 1809601303 KSZBJFGYFISKHT-REWPJTCUSA-N 465.363 -0.672 50 20 JBGD C[C@H](Cn1cncn1)C(=O)N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815356798 RSJCYHPMIIKTET-DOMZBBRYSA-N 454.321 -0.024 50 20 JBGD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2n[nH]c3c2CS(=O)(=O)C3)[nH]n1)c1cccc(B(O)O)c1 1817475710 ZVJGXLHUMGFUIF-QGZVFWFLSA-N 498.330 -0.139 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)c1cnn(-c3cccnc3)c1)CCO2 1833619852 IWRVBISHMSKZTQ-DEOSSOPVSA-N 491.313 -0.669 50 20 JBGD O=C(Cc1ccc(F)cc1)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1835049218 ZTEUPKWYLKWJKE-HSZRJFAPSA-N 456.279 -0.182 50 20 JBGD O=C(CCN1CCOC1=O)NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1835452784 ZMXRJWAEDIQVNC-UHFFFAOYSA-N 472.351 -0.606 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC1CCN(C2CCN(C(=O)Cn3nccn3)CC2)CC1 1835738351 YUFUDGGAKUTGEB-UHFFFAOYSA-N 455.523 -0.838 50 20 JBGD CC(C)N[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1)C(C)C 1835899668 VXPAZGCFVXHOBA-AUSIDOKSSA-N 476.578 -0.222 50 20 JBGD C[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1)n1cccc1C=O 1835928642 UBKYJAHOYFRORV-SBUREZEXSA-N 469.303 -0.688 50 20 JBGD COc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)cn1 1835934030 KPSYDZJJAADZRN-QFIPXVFZSA-N 455.276 -0.846 50 20 JBGD O=C(/C=C/c1ccc([N+](=O)[O-])o1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835934314 VDSYRGWIDGNMIE-UKKYDJSUSA-N 485.258 -0.349 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)c3ccncc3Cl)C2)C1 1835938174 OLQBRDLRIXKQBK-OAQYLSRUSA-N 459.695 -0.201 50 20 JBGD Cn1ccc(=O)cc1C(=O)NC1CCN(C2CCN(C(=O)c3cnccc3C(=O)NN)CC2)CC1 1836108687 YEELXSZPACCFHC-UHFFFAOYSA-N 481.557 -0.117 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C(=O)N(C)C)C2)C1 1838528334 RMXIVRQVHIAPNA-NRFANRHFSA-N 478.458 -0.322 50 20 JBGD Cc1ccc(OC(C)(C)C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)nc1 1839052748 IGQZXQACNHLCAQ-VWLOTQADSA-N 497.357 -0.003 50 20 JBGD CN1CC(C(=O)N2CCOC[C@@]3(CN(C(=O)CN(C)NC(=O)NCc4ccccc4)CCO3)C2)C1 1839054231 MMHDKSMWLMBFEJ-XMMPIXPASA-N 488.589 -0.649 50 20 JBGD CN1CCN(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](F)Br)CCO3)CC1 1839199761 UAXAZRSDEXRTSK-FUHWJXTLSA-N 465.364 -0.229 50 20 JBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CNC(=O)OC(C)(C)C)C2)C1 1840149339 MAJIEWVGLOBGGT-AUSJPIAWSA-N 479.958 -0.418 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCNC(=O)c1ccccc1)CCO2 1840800837 UODQNFSBLPOTEB-DEOSSOPVSA-N 489.573 -0.364 50 20 JBGD CC(C)(C)OC(=O)N1CC[C@H](C(=O)N2CC3(CCCN3C(=O)c3cccc(B(O)O)c3)C2)[C@@H](O)C1 1843012964 VFJBLDFIMZZFBL-OALUTQOASA-N 487.362 -0.199 50 20 JBGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)Cc3cn4c(nc3=O)SCC4)C2)C1 1780940015 ODCVDUDFGLJPLT-KUHUBIRLSA-N 456.952 -0.025 50 20 JBGD CC(C)(C)OC(=O)N(CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)C1CC1 1792636935 MWTDWMWVPBUKME-UPHUGPLXSA-N 487.362 -0.031 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(=O)n1C)C2 1796440950 FXJUXJFPMMHONQ-IHHIPJHASA-N 454.487 -0.278 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cccc([N+](=O)[O-])c1=O 1800282519 BANGIROFVHMUOK-IHHIPJHASA-N 499.484 -0.520 50 20 JBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1CCC3(CC1)OCCO3)C2 1801012764 KEFOXYPWQWSGPT-XEMDLRDOSA-N 452.552 -0.118 50 20 JBGD CC(=O)NC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1803591499 GVJOHMOKCFJSMJ-AZUAARDMSA-N 452.320 -0.004 50 20 JBGD C[C@](O)(CC(=O)O)CC(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1813065707 PLDHESGKZLIMNH-FRGLQRNOSA-N 469.303 -0.303 50 20 JBGD NNC(=O)c1ccncc1C(=O)N[C@H]1CCc2nc(NC(=O)[C@H]3CCCS3(=O)=O)sc2C1 1824933505 FGKAILMYWNVNBN-ZUZCIYMTSA-N 478.556 -0.055 50 20 JBGD O=C1NC(=O)[C@H](CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)N1 1825071782 LGFZMSDINFMSEQ-ZWKOTPCHSA-N 456.308 -0.802 50 20 JBGD N=C(N)NCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@H](O)CCl)C2)C1 1828969814 QKFRTYAGPSGRCP-IERDGZPVSA-N 480.953 -0.479 50 20 JBGD CC(=O)N1CCN(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)CBr)CCO3)CC1 1830540013 LIOBXJRJLBWNBX-OXQOHEQNSA-N 489.411 -0.362 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)C1CCC(CO)CC1)CCO2 1832517795 CYRGXWLBFTXGSY-QPFKGPCDSA-N 460.336 -0.765 50 20 JBGD Cc1cc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)ccn1 1832621370 HUDYYYUERPIDED-DEOSSOPVSA-N 467.331 -0.227 50 20 JBGD Cn1ncc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)c1C(F)(F)F 1833326050 BIPWWPGVDNQFJI-HXUWFJFHSA-N 496.251 -0.498 50 20 JBGD CCc1[nH]nc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)c1F 1833739717 IXVNKKSBBAXKPM-FQEVSTJZSA-N 454.503 -0.446 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCC(=O)N1)CCO2 1835308073 UDRSDCYQQLDAIX-VGSWGCGISA-N 490.469 -0.131 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)C3Cc4ccccc4C3)C2)C1 1835940883 CRGISFOBARJGLE-RUZDIDTESA-N 464.327 -0.149 50 20 JBGD CC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3n[nH]c4c3CS(=O)(=O)C4)CCO2)C1 1836257738 KUSRTAXUEBSDFZ-ACJLOTCBSA-N 460.940 -0.075 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCc4nc[nH]c4C3)C2)C1 1837460328 BLMQZPHXMCUOOR-NPMXOYFQSA-N 483.529 -0.717 50 20 JBGD Cc1nccn1[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1840490821 MXNKEYHUQOVFTC-OPAMFIHVSA-N 456.308 -0.797 50 20 JBGD CCOC(=O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1840885003 GQJOXGOPGWDQGL-QFIPXVFZSA-N 477.518 -0.656 50 20 JBGD O=C(NCCNC(=O)c1cccnc1)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 916443571 MWOMDZWWZQLODY-UHFFFAOYSA-N 476.515 -0.524 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CC(c4ccccc4)=NN3)C[C@@H]21)c1ccc(B(O)O)cc1 1786983063 HHLITMJZXZUGHZ-HMNCIZAVSA-N 476.342 -0.274 50 20 JBGD CCNC(=O)N[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C(C)=N/NC(=O)c3ccc[nH]3)[C@H]2C1 1787508345 GHXRXLMUGCVZRU-FFNHDTSDSA-N 475.550 -0.192 50 20 JBGD Cn1nc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)c2c1CCC2 1788019527 SPLWQXVHLCTXTM-QSFXBCCZSA-N 452.320 -0.504 50 20 JBGD C[C@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCS(=O)(=O)CC1)C2 1792868955 WEGDAULCAYXHBK-HGTKMLMNSA-N 466.398 -0.663 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCN1C(=O)C=CC1=O 1793611090 JYDVNWMYDYGKIS-TWUMKHSUSA-N 470.486 -0.975 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc(O)n2c1CCCC2 1797985698 XMZIIXYGAIITDK-FVCICTRLSA-N 469.502 -0.560 50 20 JBGD C[C@H](CS(C)(=O)=O)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1803583577 ZGMAYBLETVMWAS-BPAFIMBUSA-N 473.360 -0.238 50 20 JBGD CNC(=S)NCCC(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1810308572 VKRCHRPBFZGOOG-FXAWDEMLSA-N 469.376 -0.435 50 20 JBGD O=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1)c1ccc(Cl)cc1 1830685091 IFWLEGZHXMEGMQ-HSZRJFAPSA-N 486.717 -0.027 50 20 JBGD CC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCS(=O)(=O)CC3)CCO2)C1 1832487235 DDAOMQVGKNJFLZ-MAUKXSAKSA-N 451.973 -0.809 50 20 JBGD O=C1CN(CC(=O)NC2CCN(C3CCN(C(=O)[C@H](F)Br)CC3)CC2)C(=O)N1 1833711984 SBFQGFOQPCLEBZ-HNNXBMFYSA-N 462.320 -0.200 50 20 JBGD COCc1oncc1C(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834798516 FJAZVBJYNRWZHV-UHFFFAOYSA-N 470.335 0.000 50 20 JBGD CCNC(=S)NCC(=O)N1CCOC[C@@]2(CN(C(=O)CCBr)CCO2)C1 1834824825 NEKYEOANJNFBJL-MRXNPFEDSA-N 451.387 -0.288 50 20 JBGD C[C@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835926678 YPZUEHOIKHCDLT-KUHUBIRLSA-N 469.141 -0.533 50 20 JBGD O=C(CCc1cc(F)ccn1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835927527 RLQFEJOUNXJCHN-HSZRJFAPSA-N 471.294 -0.397 50 20 JBGD COc1ccc2[nH]cc(C(=O)N3CCOC[C@]4(CN(C(=O)c5ccc(B(O)O)cc5)CCO4)C3)c2n1 1835931351 NRSLZRKLQYJOPI-DEOSSOPVSA-N 494.313 -0.365 50 20 JBGD C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835933748 CCFVOJCCXMISBI-HJPURHCSSA-N 491.350 -0.650 50 20 JBGD CC(=O)N1CCN(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](F)Br)C3)C2)CC1 1836767195 FPTJLXIGEHMUBV-AEFFLSMTSA-N 479.347 -0.703 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc4n(n3)CCC4)CCO2)C1 1837094652 WITBJHBHZBXRKS-QFIPXVFZSA-N 469.502 -0.788 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(CN(C(=O)/C=C3\C(=O)Nc4ccccc43)CCO2)C1 1837327608 WFVZWTLMVIXMMA-KNGFOPAESA-N 485.541 -0.149 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)c1cc3ncsc3[nH]1)CCO2 1837750145 MPYYWFVSCWNVSB-NRFANRHFSA-N 470.316 -0.312 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCC(OC2CCN(C(=O)CN3CCCC3=O)CC2)CC1 1837810019 UAPJHZHWMXSTAG-UHFFFAOYSA-N 451.568 -0.020 50 20 JBGD Cc1ccc(OC(C)(C)C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)nc1 1839052941 USHAOKDWYNLKOI-RUZDIDTESA-N 497.357 -0.003 50 20 JBGD Cc1nc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)ccc1F 1840183707 VFTTZUJATJOBED-OAQYLSRUSA-N 451.499 -0.028 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCNC(=O)OC(C)(C)C)CCO2 1840802895 KLUWFTCKGUKLEC-JOCHJYFZSA-N 485.582 -0.269 50 20 JBGD COC[C@H](NC(C)=O)C(=O)N1CC2(CCCN2C(=O)CN(C)NC(=O)NCc2ccccc2)C1 1845039044 XUQWABDSPZOZDR-IBGZPJMESA-N 474.562 -0.313 50 20 JBGD C[C@H](O)C(=O)N1CCCC12CN(C(=O)[C@H](Cc1ccc(B(O)O)cc1)NC(=O)OC(C)(C)C)C2 1846170636 HVUMJFYTKOENFU-YJBOKZPZSA-N 475.351 -0.614 50 20 JBGD O=C1CN(S(=O)(=O)c2ccc(C(=O)NNC(=O)COc3ccccc3F)cc2)CCN1 914458175 DAYNYNQAEFAWEU-UHFFFAOYSA-N 450.448 -0.214 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)c3cc(Cl)c4nncn4c3)C2)C1 1778944582 ILDNBIGPUOCXFO-NRFANRHFSA-N 469.694 -0.180 50 20 JBGD CN(CC(=O)N1CC[C@@]2(CN(C(=O)CSCC(=O)O)CCO2)C1)NC(=O)NCc1ccccc1 1780967957 FXADJIPEQFLZAZ-QFIPXVFZSA-N 493.586 -0.020 50 20 JBGD COC(=O)[C@@H]1CC[C@@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)C1 1784082530 RLSVEMRRKOIJFY-JOMPHRNESA-N 458.320 -0.451 50 20 JBGD CN(CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]2C1)NC(=O)NCc1ccccc1 1784091982 AZGLIXAQEIECHW-VJANTYMQSA-N 481.981 -0.088 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21)[C@@H]1CCc2nc(O)nc(O)c2C1 1785329050 ZGCGNPDBFUXSGC-AYCUNASISA-N 454.911 -0.428 50 20 JBGD C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786986871 OJCWBEXTZNYHAV-VMXMFDLUSA-N 499.373 -0.124 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc4c3NC(=O)C4=O)C[C@@H]21 1788611302 SYMQXOCDQZMJQO-IGNZVWTISA-N 492.492 -0.273 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc3ccc(F)cn3n1)C2)c1cccc(B(O)O)c1 1795741426 WUSWOPNZFJAEJM-ZSBFGKGUSA-N 453.239 -0.935 50 20 JBGD CS(=O)(=O)Cc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(B(O)O)cc2)cn1 1796189220 MDGPEVXAPDBWSJ-ACDBMABISA-N 471.344 -0.128 50 20 JBGD COc1cc(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)ccn1 1797748586 KJFZBSKZHJXMKM-VPTLXERWSA-N 468.514 -0.075 50 20 JBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnn(-c3cccnc3)c1)C2 1797749465 APLUCWDKEZUPJZ-CWPLJXCYSA-N 476.497 -0.217 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)c2cc(=O)n3[nH]cnc3n2)[C@@H]1c1cccnc1 1813070496 IBRXJDPHXFTPJL-MGPUTAFESA-N 481.517 -0.495 50 20 JBGD O=C(CCN1C(=O)C=CC1=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827049989 CLGILWIWOOSCNV-HXUWFJFHSA-N 467.331 -0.085 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)c1ccco1)CCO2 1829821250 DPYXWOLLMRMLNQ-KNUAZTGGSA-N 473.486 -0.097 50 20 JBGD CS(=O)(=O)c1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)c1 1830178200 CQUXEVCCKXQWGP-QFBILLFUSA-N 460.936 -0.240 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCN1C(=O)OC(C)(C)C)CCO2 1832049479 DUMOYICLDFUOSC-HXOBKFHXSA-N 497.593 -0.175 50 20 JBGD CC(=O)OC[C@H](OC(C)=O)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](O)CCl)CC2)CC1 1833312690 XGLICWINHQFDFY-ROUUACIJSA-N 461.943 -0.348 50 20 JBGD CN1C(=O)CC[C@H]1C(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834798295 DNXBFNZTSGEJMV-FQEVSTJZSA-N 456.352 -0.828 50 20 JBGD C[C@H](C(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1)N1C[C@@H]2C[C@H]2C1 1834798536 ISEZTTSRUKPSPQ-HOJAQTOUSA-N 468.407 -0.108 50 20 JBGD Cc1nc2sccn2c1C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835930268 GGRYBFBATCBJNI-QFIPXVFZSA-N 484.343 -0.232 50 20 JBGD Cc1ncc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)s1 1835934512 WMAZIEYVTPTCIZ-NRFANRHFSA-N 459.333 -0.556 50 20 JBGD Cc1nc(CC(=O)N2CCC(OC3CCN(C(=O)c4cccc(B(O)O)c4)CC3)CC2)no1 1837155086 WXCIAIPVKKEZDJ-UHFFFAOYSA-N 456.308 -0.087 50 20 JBGD COc1ncc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)cc1F 1837456801 NIPKVNOGAHDNEF-QFIPXVFZSA-N 488.476 -0.388 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nccc4[nH]ccc34)C2)C1 1837457731 NQDIBKJNMVZCRG-QHCPKHFHSA-N 479.497 -0.055 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1c(F)cncc1F)CCO2 1838165827 XBHONARZSFYDQF-NRFANRHFSA-N 476.440 -0.258 50 20 JBGD O=C(NCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2)c1cccnc1 1839198540 HQCZIYBIQZUYBJ-CRAIPNDOSA-N 473.299 -0.042 50 20 JBGD CCS(=O)(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](F)Br)CCO2)C1 1839198601 KDZPSPNZYKXBBB-LALPHHSUSA-N 474.349 -0.539 50 20 JBGD O=C(COc1ccccc1F)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1839969012 UANUCRFIGDBDGB-HSZRJFAPSA-N 472.278 -0.346 50 20 JBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)C2)C1 1840154690 CQPPDXYUGYMZKY-QYWGDWMGSA-N 493.985 -0.028 50 20 JBGD COC(=O)[C@@H]1CC[C@H](C(=O)N2CCOC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)C1 1840182276 CVZNKDVGJMYMQE-JKSBSHDWSA-N 468.551 -0.595 50 20 JBGD COc1ccc(COCC(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)cc1 1840253921 PFJRJUOLWZHOJU-VWLOTQADSA-N 498.341 -0.338 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)c1ccccc1Cl)CCO2 1840317179 MQYACCYBVVAVKA-OFNKIYASSA-N 488.733 -0.177 50 20 JBGD Cn1c(=O)c2c(ncn2CC(=O)N2CC3(CCCN3C(=O)C(C)(C)CCl)C2)n(C)c1=O 1841225471 WYAHCBOMMDXGLN-UHFFFAOYSA-N 450.927 -0.098 50 20 JBGD CC(C)C(=O)Nc1nc(O)c2ncn(CC(=O)N3CC[C@H]4[C@@H]3CCN4C(=O)[C@H](O)CCl)c2n1 1847562772 LEHBKVVYGGNXHU-RWMBFGLXSA-N 479.925 -0.072 50 20 JBGD CC(=O)NCC(=O)NCC(=O)NNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12 729298883 XLBNWZSDQVAVCG-UHFFFAOYSA-N 450.455 -0.542 50 20 JBGD CCn1nc(C(=O)NNC(=O)CCc2nc3c(O)nc(=O)n(C)c3[nH]2)c2ccccc2c1=O 920276404 YHQSYVDBGBVDAO-UHFFFAOYSA-N 452.431 -0.514 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1C(=O)CSC1=S)C2 1782214176 MRTVRUNCZPJINS-JLTOFOAXSA-N 485.632 -0.266 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)c3cn4c(F)cccc4n3)C2)C1 1782370142 MXHFYRCKIWFZCC-QFIPXVFZSA-N 452.251 -0.090 50 20 JBGD COC[C@@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CS(=O)(=O)N3CCCC3)[C@H]2C1 1787507027 FODKQBPWIITTDE-JONQDZQNSA-N 451.973 -0.355 50 20 JBGD C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1791155362 BRMCGWZICFWZEW-XIVBQZFQSA-N 475.351 -0.127 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCS(=O)(=O)c1ccccc1)C2)c1cccc(B(O)O)c1 1795737461 IWHUYQLOYWFUHL-OPMZPASUSA-N 486.355 -0.566 50 20 JBGD CN(CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CSC(=N)N)C2)NC(=O)NCc1ccccc1 1799094802 LHNVQIQOYLHHFU-HGKCTWBKSA-N 477.591 -0.451 50 20 JBGD CN(CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)n[nH]1)C2)NC(=O)NCc1ccccc1 1799094813 LYBGMGSNRAEXCH-CWPLJXCYSA-N 471.518 -0.335 50 20 JBGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1)c1cc(=O)n2[nH]cnc2n1 1807354264 RTYZFEQXGPUMKG-OXJNMPFZSA-N 487.285 -0.874 50 20 JBGD O=C(NC[C@@H]1CCN(C(=O)CN2C(=O)C=CC2=O)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807375625 UGLPMUKKRGWWCL-JTSKRJEESA-N 462.271 -0.994 50 20 JBGD CC(=O)N1CCN(CC(=O)NC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)CC1 1809667874 GKNHEWLVMZBTDE-XUZZJYLKSA-N 493.373 -0.755 50 20 JBGD O=C(Cn1ccccc1=O)Nc1nc2c(s1)C[C@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1815442975 LSIOIHSKSWUKEG-OAHLLOKOSA-N 452.301 -0.089 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CNC2=O)CC1 1824901903 VKLMFECWRXZANI-GOSISDBHSA-N 456.308 -0.849 50 20 JBGD O=C1CN(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)C(=O)N1 1824967594 RFQDMMUWGWYENZ-GOSISDBHSA-N 456.308 -0.849 50 20 JBGD CCC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(=O)n4[nH]nnc4n3)C2)C1 1831645704 FHEAIJGEBJQNJF-XIKOKIGWSA-N 453.887 -0.710 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cncn3)C2)C1 1832549268 KSFBAQXNAREORN-MGPUTAFESA-N 486.957 -0.133 50 20 JBGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccnc3CS(C)(=O)=O)CCO2)C1 1833565622 PHKNILZHCTUMQX-OXQOHEQNSA-N 489.978 -0.050 50 20 JBGD Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)nn1C 1834120709 KEMBEUQWCWVHGH-OAQYLSRUSA-N 457.491 -0.889 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)Cc3ccc4ncnn4c3)CC2)CC1)c1ccc(B(O)O)cc1 1834798426 UOWPJADPILOOJT-UHFFFAOYSA-N 490.373 -0.163 50 20 JBGD CC(=O)N[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3cnccc3C(=O)NN)CC2)CC1 1835738329 XCTVPUVURPXRMC-AWEZNQCLSA-N 459.551 -0.605 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CC(c4ccccc4)=NO3)C2)C1 1835933766 CKXQHDJQBOYYQP-RDGATRHJSA-N 493.325 -0.370 50 20 JBGD CC(C)(C)c1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)[nH]n1 1835938493 WKNWEUYODKJAQF-HSZRJFAPSA-N 470.335 -0.229 50 20 JBGD C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1)c1ccc(O)cc1 1835939107 FLBKJXKNKVOBGV-XDHUDOTRSA-N 468.315 -0.054 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1ON=C(c3ccccc3)O1)CCO2 1837293046 SVVVZQJYECRUQK-BJKOFHAPSA-N 495.297 -0.829 50 20 JBGD Cc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)cc1[N+](=O)[O-] 1839189360 WMZHUXUAUDKZNA-XMMPIXPASA-N 497.313 -0.104 50 20 JBGD CC[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@@H]3NC(=O)NC3=O)C2)C1 1839962858 TXMVCIJTXIJYCQ-NVGCLXPQSA-N 461.313 -0.786 50 20 JBGD CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N2CC3(CCCN3C(=O)c3cccc(B(O)O)c3)C2)[C@H](O)C1 1843012966 VFJBLDFIMZZFBL-RTBURBONSA-N 487.362 -0.199 50 20 JBGD CN(CC(=O)N1CCO[C@@]2(CCN(C(=O)/C=C\C(=O)NC3CC3)C2)C1)NC(=O)NCc1ccccc1 1778833346 YMGDVESYXBGSRY-HAAQQRBASA-N 498.584 -0.003 50 20 JBGD C[C@H](C(=O)N1CCO[C@]2(CCN(C(=O)CN(C)NC(=O)NCc3ccccc3)C2)C1)n1cnnn1 1780968265 AAGZLMPDUTUACI-VGSWGCGISA-N 485.549 -0.590 50 20 JBGD CC[C@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)CCO2)C1 1781214730 BQEAFYQDNMQLTC-RNODOKPDSA-N 466.926 -0.719 50 20 JBGD CC(=O)N/C(=C\c1ccco1)C(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1781863894 BVYGDDIATJIKEL-BXDIUNCMSA-N 467.287 -0.420 50 20 JBGD COC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3n[nH]c4c3CS(=O)(=O)C4)[C@H]2C1 1787152134 FMQOELQIBSYESR-UHXUCMFUSA-N 460.940 -0.315 50 20 JBGD Cc1cc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cnccc4C(=O)NN)[C@H]3C2)nn1C 1788607782 HDMAOJPZXCWLRI-JVPBZIDWSA-N 455.519 -0.437 50 20 JBGD O=C1CN(c2cccc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)[C@@H](O)CCl)n2)CCCN1 1792976176 MUOYJRPWLMWFSN-MVWRLGRASA-N 465.938 -0.789 50 20 JBGD CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(B(O)O)cc1)C2 1793009822 ISHWZBLLVFMKPU-MHORFTMASA-N 461.324 -0.496 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1cc(N2CCCC2)ccn1 1796581406 RAIIKFSJOJTOLF-OPMZPASUSA-N 464.331 -0.121 50 20 JBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3n(n1)CCCC3)C2 1797751701 PRJGLQAWQREHAJ-HBCWATKFSA-N 453.503 -0.265 50 20 JBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)Cc1ccccc1)C2 1797753843 IGQZHJIHHCOJIC-JSJNYSNDSA-N 453.499 -0.508 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H](CNC(=O)[C@H]2CCC(=O)N2)[C@@H]1c1cccnc1 1806816601 RKGUOJMPKBKWDF-BJZITVGISA-N 451.487 -0.322 50 20 JBGD CCNC(=O)N[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807374619 IKLHLJRAVOFJTJ-MOXGXCLJSA-N 467.335 -0.211 50 20 JBGD COC[C@H](NC(C)=O)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1810559366 KEZNJYNMDDFLPK-JBACZVJFSA-N 468.319 -0.768 50 20 JBGD CN(C)NC(=O)CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)CN2CCS(=O)(=O)CC2)[nH]n1 1822410363 HVYHXVXBJUDJLT-MRXNPFEDSA-N 483.595 -0.495 50 20 JBGD COC[C@H](NC(C)=O)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(B(O)O)c2)CC1 1829112942 HFTIVKUMZABUON-LEWJYISDSA-N 459.352 -0.249 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(F)nc1F)CCO2 1829533579 NBNOFYLPHBIYAI-HXUWFJFHSA-N 455.462 -0.197 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830728311 RKOQDEOOKRLQCG-KEIRFWAVSA-N 455.899 -0.824 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1)c1ccc(B(O)O)cc1 1834797947 ODDXFLFHSGLLNW-UHFFFAOYSA-N 468.319 -0.328 50 20 JBGD C=CCCc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)c(O)n1 1835935023 CCTPXHGJEAKKOQ-RUZDIDTESA-N 495.341 -0.031 50 20 JBGD CC[S@](=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C2)C1 1837238142 BBCVXLHLUDECFJ-JTSNHIFUSA-N 481.575 -0.265 50 20 JBGD C[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1)N1CCN(C)CC1 1837714465 HIIMPQZZUBVXFI-RXVVDRJESA-N 456.660 -0.070 50 20 JBGD COC[C@H](NC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCBr)C2)C1 1837729741 KSUQQEVSOUODKI-WMLDXEAASA-N 450.330 -0.621 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(Cl)cc3nn[nH]c13)CCO2 1838618334 LZBCHKGVDQUAJD-JOCHJYFZSA-N 499.720 -0.325 50 20 JBGD Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)n(C(F)F)n1 1838711897 CRVZCYXZKMEJTI-OAQYLSRUSA-N 478.261 -0.350 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)ccc3O)C2)C1 1840185883 ZMQKIHNDOHPHCG-NRFANRHFSA-N 450.492 -0.459 50 20 JBGD O=C(CS(=O)(=O)N1CCCC1)N1CCOC[C@@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1840187488 DYNUCYDOBYHNPH-MRXNPFEDSA-N 458.364 -0.328 50 20 JBGD CN(CC(=O)N1CCCC12CN(C(=O)CCS(C)(=O)=O)C2)NC(=O)NCc1ccccc1 1845039517 XIEZBLMTCFXOAK-UHFFFAOYSA-N 465.576 -0.029 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1ON=C(c3ccccc3)O1)CCO2 1779032517 RDFBCGNJWKROMF-PKTZIBPZSA-N 480.481 -0.137 50 20 JBGD CN(CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cnc(O)[nH]1)CCO2)NC(=O)NCc1ccccc1 1780968609 ONIZMMDONAQDPA-QFIPXVFZSA-N 471.518 -0.095 50 20 JBGD COc1cnc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)c(F)c1 1785736488 DISAPGYTCPFYSV-FNHZYXHNSA-N 457.267 -0.184 50 20 JBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1nnc3ccccc31)C2 1797748531 GPSKFDHZUHKNPO-VTEUUUEMSA-N 464.486 -0.667 50 20 JBGD O=C(O)c1cc(C(=O)NC[C@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)ncn1 1804966287 KNDCINDBHMYYKJ-UZLBHIALSA-N 475.270 -0.117 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1CCN(C(=O)[C@@H]2CCC(=O)N2)[C@H]1c1cccnc1 1810299124 NPNYANORMGZTTD-FNHZYXHNSA-N 451.487 -0.322 50 20 JBGD CC(=O)OC[C@@H](OC(C)=O)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1819431529 WNEYGHLINFZUEU-RTBURBONSA-N 486.290 -0.110 50 20 JBGD Cc1ccn2c(=O)c(C(=O)N3CCOC[C@]4(C3)CN(C(=O)[C@H](O)CCl)CCO4)cnc2c1 1830728015 NDAAGZMEIZRLKC-IERDGZPVSA-N 464.906 -0.327 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)CN2CCS(=O)(=O)CC2)CC1 1831871549 URAZMESMAMGKSW-IBGZPJMESA-N 485.651 -0.291 50 20 JBGD CCC(=O)N[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1 1833422997 UFJXDCBLHHHXBF-MRXNPFEDSA-N 452.600 -0.154 50 20 JBGD C[C@H](C(=O)N1CCC(N2CCC(NC(=O)c3cccc(B(O)O)c3)CC2)CC1)n1ccccc1=O 1834801345 ZKJZTBLHNKTVSE-GOSISDBHSA-N 480.374 -0.026 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC1CCN(C2CCN(C(=O)Cn3ccnn3)CC2)CC1 1835737106 WSAQJVNSMZGQNQ-UHFFFAOYSA-N 455.523 -0.838 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)c3cnnc4ccccc34)C2)C1 1835930236 DJRINDKARMYYPX-XMMPIXPASA-N 476.298 -0.307 50 20 JBGD Cc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)c(C)n1C 1835938230 RGCFCHAXSOZKJT-QHCPKHFHSA-N 455.320 -0.294 50 20 JBGD COc1cc(C(=O)NC2CCN(C3CCN(C(=O)c4cccc(B(O)O)c4)CC3)CC2)nn1C 1836202185 BPQKCGQBPXNHQM-UHFFFAOYSA-N 469.351 -0.393 50 20 JBGD C[C@@H](C(=O)NC1CCN(C2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1)N1CCN(C)CC1 1836372419 FFAKPOCWZWQLSX-IBGZPJMESA-N 479.670 -0.433 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc3nncn3c1)CCO2 1837020372 LJHZSPIZKDOYMY-NRFANRHFSA-N 459.507 -0.828 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)c3ccco3)C2)C1 1837456114 IZQCNHZRZRYCHV-DYESRHJHSA-N 459.459 -0.918 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(F)nc3)C2)C1 1837458801 DBCWCTVQRWZOAU-NRFANRHFSA-N 458.450 -0.397 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1[nH]cnc1-c1cccnc1)CCO2 1838497938 BULUPLOMMNIPHQ-HSZRJFAPSA-N 485.545 -0.085 50 20 JBGD Cc1nn(C)c(C)c1CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1840436250 UTANZMJGZMTGED-HSZRJFAPSA-N 470.335 -0.971 50 20 JBGD Cc1cn(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CO[Si](C)(C)C)C3)C2)c(=O)nc1O 1840807765 SJOOSHFCNIOQRH-FQEVSTJZSA-N 468.583 -0.435 50 20 JBGD Cn1c(=O)c2c(ncn2CC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)[C@](C)(Cl)CCl)n(C)c1=O 1848149570 BHEYVJMRSCVVJQ-SYTFOFBDSA-N 471.345 -0.128 50 20 JBGD C[C@H]1CN(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3cccc([N+](=O)[O-])c3)CC2)C[C@@H](C)O1 106046027 PNTYPDCMORIFEO-GASCZTMLSA-N 484.535 -0.673 50 20 JBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NCCS(=O)(=O)NC(C)(C)C)cc1 916622340 KDJWWZFCDVYJLE-UHFFFAOYSA-N 463.582 -0.336 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@]2(CCN(C(=O)C3=NNC(=O)C3)C2)C1 1778939401 LBYCTWNLPBBBQY-FQEVSTJZSA-N 459.415 -0.161 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)c3ccccc3C(=O)OCCO)C2)C1 1780158025 RMBFKEIYTCUEQW-HSZRJFAPSA-N 476.530 -0.348 50 20 JBGD COc1ccc(CC(=O)N2CC[C@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)c([N+](=O)[O-])c1 1781412806 OBXNFLWRHSZIFZ-QHCPKHFHSA-N 483.286 -0.031 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CN2CCCCC2=O)C1 1782108089 JQBLXKBYMFCPNE-VGOFRKELSA-N 451.568 -0.114 50 20 JBGD CC(=O)NCC(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21 1784643883 ZIRCOBWBKYNBGP-WBAXXEDZSA-N 460.535 -0.559 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3Cc4ccccc4CN3)C[C@@H]21)c1ccc(B(O)O)cc1 1786979848 LXNZSEJFAHMFCX-SNJCGAMXSA-N 463.343 -0.326 50 20 JBGD O=C(Cc1ccc2ncnn2c1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1789717135 GVXGDQVUIHROIO-IHPCNDPISA-N 463.303 -0.755 50 20 JBGD C[C@@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(=O)n4[nH]cnc4n3)C[C@@H]21 1791057547 FQCJDMFXXLIIFS-BLFANLJRSA-N 453.297 -0.206 50 20 JBGD O=C(CCN1C(=O)Cc2ccccc2C1=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2 1793048179 YFIZMJMDNJUMRV-MQJTVSLUSA-N 463.918 -0.209 50 20 JBGD CN(CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CNC(=O)C1)C2)NC(=O)NCc1ccccc1 1799097258 LNYSXKVMPPTRKG-DCXXXQMHSA-N 472.546 -0.942 50 20 JBGD C[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CS(=O)(=O)N1CCCC1)C2 1800758420 ZDXZSLWCRTUMEL-GUIRCDHDSA-N 452.371 -0.215 50 20 JBGD CCS(=O)(=O)N[C@H](C)C(=O)N1CCC2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)CC1 1809978016 SXYLTPVYCNBBOD-MRXNPFEDSA-N 465.381 -0.461 50 20 JBGD CNC(=S)NCCC(=O)N1CC[C@H](CNC(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1 1813072231 CJXYZOPNPHOFLT-OXQOHEQNSA-N 463.608 -0.056 50 20 JBGD CCOC(=O)N[C@@H](O)C(=O)N[C@H]1CCc2nc(NC(=O)CCC(=O)NN(C)C)sc2C1 1826087832 LQYLELLSTHROOQ-QFYYESIMSA-N 456.525 -0.507 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(CN(C(=O)C[C@@H](N)c3cccnc3)CCO2)C1 1835834331 QFUHZAVTAHILGO-AUSIDOKSSA-N 483.529 -0.760 50 20 JBGD Cc1nc(C)c(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)s1 1835929369 MRYPADRGQISWLS-NRFANRHFSA-N 459.333 -0.176 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)c3cnc4ccccn34)C2)C1 1835930244 FGJCVDOIFKKHNB-QHCPKHFHSA-N 464.287 -0.602 50 20 JBGD CC(C)c1cc(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)on1 1835931216 IRGLVIZNNRDQKH-QFIPXVFZSA-N 457.292 -0.138 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)c3nccc4[nH]ccc34)C2)C1 1835935901 WJYFESVYTWCLTA-QHCPKHFHSA-N 464.287 -0.374 50 20 JBGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(=O)c3cc(C)on3)CCO2)C1 1837550052 KOQGFDXTMMSWPK-LIRRHRJNSA-N 458.899 -0.577 50 20 JBGD CCn1nc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)cc1C 1838149971 LNRBTTZZHFURDA-QFIPXVFZSA-N 471.518 -0.406 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(OCCCO)cc1)CCO2 1838546747 KOYYZWZVTJWWNU-VWLOTQADSA-N 498.341 -0.489 50 20 JBGD COc1ccccc1CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1839953754 DYLSTDUIBGEHJI-XMMPIXPASA-N 468.315 -0.312 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)Cc1ccccc1)CCO2 1839960645 NZIYRHRDFWKZCU-CVDCTZTESA-N 462.547 -0.581 50 20 JBGD O=C(COC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 19178113 UBNSDVJBGGUYJT-UHFFFAOYSA-N 481.421 -0.029 50 20 JBGD O=C(COC(=O)CCc1nc(-c2ncccn2)no1)NNC(=O)[C@@H]1COc2ccccc2O1 728344466 VLVXUHWUUALJDM-AWEZNQCLSA-N 454.399 -0.010 50 20 JBGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1sccc1S(=O)(=O)N1CCSCC1 921276294 NUUDIDOURKNCDG-SNVBAGLBSA-N 453.589 -0.319 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CS(C)(=O)=O)C2 1778091099 FTPOPMUICILSAV-CFZWTVACSA-N 467.548 -0.321 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)C[C@H](O)CNC(=O)OC(C)(C)C)C2)C1 1781356450 ZGRAPPAWUPHCCR-KSFYIVLOSA-N 485.582 -0.535 50 20 JBGD Cn1cccc1C(=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2 1782608567 NSZVCPRVENXVGI-AUSIDOKSSA-N 453.304 -0.285 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CCO[C@]2(CCN(C(=O)CN3C(=O)C=CC3=O)C2)C1 1784112456 NPHJDIFLSOQOQT-QKKBWIMNSA-N 484.937 -0.127 50 20 JBGD CS(=O)(=O)c1cncc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)c1 1785585662 FJIBNLKQYYIQRQ-YSSFQJQWSA-N 487.343 -0.928 50 20 JBGD COC(=O)c1ccc(OCC(=O)N2CC[C@@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)cc1 1785719897 MLPRMHWENADRRH-XMMPIXPASA-N 482.298 -0.325 50 20 JBGD Cn1c(=O)c2c(CC(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)[C@@H](O)CCl)C[C@@H]43)csc2n(C)c1=O 1789702665 YLZOVWLUWXPOTH-MXAVVETBSA-N 498.989 -0.579 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)CCNC(=O)OC(C)(C)C)[C@H]2C1 1789929495 PFSFHHIMLFQNRS-FJIDUMEYSA-N 499.609 -0.385 50 20 JBGD CN1CCCn2nc(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)c5cnccc5C(=O)NN)C[C@@H]43)cc2C1 1790525157 SYHTZPFDIPLSCO-ZRCAFCQKSA-N 496.572 -0.376 50 20 JBGD C[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1)NC(=O)OC(C)(C)C 1795734648 XDXDYBHLTJJJGI-DFYYWFRZSA-N 475.351 -0.127 50 20 JBGD COc1ccnc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)c1OC 1795735047 LECFFTXOSDEKMF-JLVBRIDZSA-N 455.276 -0.704 50 20 JBGD O=C(CCN1CCOC1=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1809528471 AEUZFKMGKWBJMB-WIYYLYMNSA-N 466.303 -0.077 50 20 JBGD COC(=O)CSCC(=O)N[C@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815335604 HEROIKHLRVDNFH-ZDUSSCGKSA-N 463.346 -0.045 50 20 JBGD NC(=O)c1nccnc1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1821036000 IIVZGHGCQZIHOG-GFCCVEGCSA-N 466.288 -0.749 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCC([C@@H]2CCCCN2C(=O)CCN2C(=O)C=CC2=O)CC1 1824771311 QAOJXOTZQQQQMF-FQEVSTJZSA-N 467.331 -0.085 50 20 JBGD O=C1CN(c2cccc(C(=O)N3CCOC[C@]4(C3)CN(C(=O)[C@H](O)CCl)CCO4)n2)CCCN1 1830725962 STGNKLATVUASGE-VGSWGCGISA-N 495.964 -0.922 50 20 JBGD Cc1ccc(=O)n(C(C)(C)C(=O)N2CCOC[C@]3(CN(C(=O)[C@@H](O)CCl)CCO3)C2)n1 1830730795 DYRAKBKRJOPNOM-YWZLYKJASA-N 456.927 -0.657 50 20 JBGD C[C@H](NC(=O)c1ccccc1)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](O)CCl)CCO2)C1 1830738722 SJFVVNPWAMXORT-LUQKVYGDSA-N 453.923 -0.139 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1832551391 MCYXZAOIGGSPIY-XOBRGWDASA-N 473.910 -0.337 50 20 JBGD CC[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc4n(n3)CCNC4=O)CCO2)C1 1834564573 CQDFIUMIKXHLNC-BFUOFWGJSA-N 484.351 -0.130 50 20 JBGD CCOC(=O)/C=C/C(=O)N1CCC(N2CCC(NC(=O)c3cccc(B(O)O)c3)CC2)CC1 1834801181 SICWESZOEDGIMS-VOTSOKGWSA-N 457.336 -0.329 50 20 JBGD COc1ccnc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)c1OC 1835931716 YOJMJSZZUFNKTP-HSZRJFAPSA-N 485.302 -0.838 50 20 JBGD Cc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)cc2c[nH]nc12 1835931964 JJPVSROUPLNTSP-XMMPIXPASA-N 478.314 -0.065 50 20 JBGD CCOC(=O)N[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)CCBr)C2)C1 1837205321 WHPWXGBMNXVFES-CJNGLKHVSA-N 452.302 -0.708 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(Cl)c3nncn3c1)CCO2 1837372671 GYLJHVBOSIUXGY-NRFANRHFSA-N 493.952 -0.174 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])o3)C2)C1 1837456183 KFQHJEWBDWLTTK-FQEVSTJZSA-N 474.430 -0.430 50 20 JBGD Cc1nc(F)ccc1C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1838268291 ASUANUTZRJGSAP-NRFANRHFSA-N 451.499 -0.028 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(O)ccc1F)CCO2 1839296381 BHRRINJUESLBGV-NRFANRHFSA-N 452.483 -0.026 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3CNC(=O)C3)CCO2)C1 1839867292 HYPWRJAVNPNXIZ-GXZWQRSESA-N 488.969 -0.289 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)Cc1ccccc1)CCO2 1839959530 NCBRHPZZZFOHJA-GBXCKJPGSA-N 483.525 -0.641 50 20 JBGD COCCOCCOCCOCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1 1840082367 QBXOUDFEMZOPLK-MJGOQNOKSA-N 470.922 -0.327 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](Cc1ccc(B(O)O)cc1)C(=O)N1CCCC12CN(C(=O)CC#N)C2 1843428644 HUPOVHBYROKQHE-SFHVURJKSA-N 470.335 -0.081 50 20 JBGD CC(C)(C)OC(=O)N[C@]1(C(=O)N2CCCC23CN(C(=O)c2ccc(B(O)O)cc2)C3)CCOC1 1845207597 FAMATNZRVJOYBR-HSZRJFAPSA-N 473.335 -0.133 50 20 JBGD NS(=O)(=O)c1cc(C(=O)NNC(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)ccc1Cl 14895669 YJFBJRDMLHJPOO-UHFFFAOYSA-N 491.913 -0.180 50 20 JBGD CN(CC(=O)N1CCO[C@@]2(CCN(C(=O)CCc3nc(N)n[nH]3)C2)C1)NC(=O)NCc1ccccc1 1778855060 NFUFOHGBBYNHCD-HSZRJFAPSA-N 499.576 -0.504 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)c3nc(O)n4c3CCCC4)C2)C1 1779344828 UQCVVIIZYVCUFP-QFIPXVFZSA-N 469.502 -0.319 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(CCN(C(=O)CCc3ccc(O)nn3)C2)C1 1782636221 YADHGLALWDFOJX-OAQYLSRUSA-N 455.475 -0.743 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@]1(NC(=O)OC(C)(C)C)CCOC1)CCO2 1783935068 OXVQDKPUNFVSTJ-XZOQPEGZSA-N 497.593 -0.127 50 20 JBGD COc1ccc(CCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)cn1 1785095060 WJDIUWWJMNDCNV-JBACZVJFSA-N 467.331 -0.004 50 20 JBGD C[C@H](Nc1ccccn1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1788778580 QIZJKCDQGRKEFT-UHMOLFJZSA-N 452.320 -0.145 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nccnc1C(N)=O)C2 1793880149 RGUDOEZPWOJCNB-CRWXNKLISA-N 496.952 -0.089 50 20 JBGD CCc1nn(C)c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)c1Cl 1795737200 CHYAWXHGUZECBE-ZSBFGKGUSA-N 460.727 -0.167 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nccnc1C(N)=O 1798357206 IEJGUUOVYOIPJF-FVCICTRLSA-N 498.452 -0.074 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1ccc([N+](=O)[O-])c2c1OCO2 1798626530 WHFRJZXLNIGSTC-ZSBFGKGUSA-N 483.242 -0.480 50 20 JBGD C=CC(=O)N[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807374510 HQAHNLLJVCGOLX-FPDPHYFHSA-N 450.304 -0.228 50 20 JBGD C[C@H](C(=O)N1CCC2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)CC1)N1CCN(C)CC1 1809980810 VLGVRFULKQLIDQ-LJQANCHMSA-N 456.396 -0.153 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)CN2C(=O)C=CC2=O)[C@H]1c1cccnc1 1813072897 GQDYJRGQSXWAJZ-ZHRRBRCNSA-N 456.503 -0.615 50 20 JBGD CCS(=O)(=O)N[C@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815336063 ZLTKYHSXCJZMKJ-RISCZKNCSA-N 480.377 -0.624 50 20 JBGD CCOC(=O)N[C@H](O)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827058261 WFVKTUNRVLTSAZ-RTBURBONSA-N 461.324 -0.336 50 20 JBGD CC[C@@H](NC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C2)C1 1829854653 RLMYIWWHTZSCCN-JBQOLUAXSA-N 476.534 -0.509 50 20 JBGD C[C@@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(O)nc3O)C2)C1 1830538355 CVLXXASKNJIRAP-APPDUMDISA-N 459.297 -0.011 50 20 JBGD C[C@@H](CS(C)(=O)=O)C(=O)NC1CCN(C2CCN(C(=O)c3cnccc3C(=O)NN)CC2)CC1 1833483228 SZQUZMGYXWFYPP-HNNXBMFYSA-N 494.618 -0.449 50 20 JBGD N=C(N)SCCC(=O)NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834708444 YJSPYPZTTGYXPM-UHFFFAOYSA-N 461.397 -0.432 50 20 JBGD Cc1cnc(C(=O)N2CCC(N3CCC(NC(=O)c4ccc(B(O)O)cc4)CC3)CC2)cn1 1834797400 IMMBCMCKKKMNMX-UHFFFAOYSA-N 451.336 -0.036 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)c3cc(Cl)cnc3O)C2)C1 1835934142 MKXWGGWLMQXDEL-NRFANRHFSA-N 475.694 -0.496 50 20 JBGD C[C@H](Cc1ccccn1)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1840331656 CPQOCRFSYVWGFG-HOYKHHGWSA-N 467.331 -0.290 50 20 JBGD CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843012036 XOSJPBCWXYACDZ-KRWDZBQOSA-N 461.324 -0.541 50 20 JBGD CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](C(=O)N2CC3(CCCN3C(=O)c3cccc(B(O)O)c3)C2)C1 1843014516 RSVQIFPEHMWZLR-ZWKOTPCHSA-N 473.335 -0.589 50 20 JBGD CCOc1cc(C=NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)ccc1O[C@H](C)C(=O)N(C)C 730569371 XCVLQSUFTVXRBY-CYBMUJFWSA-N 492.558 -0.024 50 20 JBGD Cc1noc(C)c1S(=O)(=O)NCC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 767155587 PEJKJUZRHQWDEF-UHFFFAOYSA-N 485.544 -0.185 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc4nc(CO)[nH]c4c3)C2)C1 1777703954 KFMLECSDOBZEFV-HSZRJFAPSA-N 479.497 -0.189 50 20 JBGD Cc1cc2nnc(C(=O)N3CC[C@]4(CN(C(=O)c5ccc(B(O)O)cc5)CCO4)C3)c(C)n2n1 1777781465 WCGAEIGPHDYUMY-JOCHJYFZSA-N 464.291 -0.822 50 20 JBGD C[C@@H](Nc1nccs1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786979720 BOJVEFAPRMZZGA-KCMWZYNZSA-N 458.349 -0.083 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc4c(n3)OCCO4)C[C@@H]21)c1ccc(B(O)O)cc1 1786979923 PLPXMQKHXHRLFX-KNBMTAEXSA-N 467.287 -0.560 50 20 JBGD O=C1Cc2cccc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)c5cccc(B(O)O)c5)[C@H]4C3)c2N1 1786985187 PERDACYVPLCZEZ-VDGAXYAQSA-N 463.299 -0.232 50 20 JBGD O=C1Nc2c(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)c5cccc(B(O)O)c5)C[C@@H]43)cccc2C1=O 1788434614 QSAIPMSAOHTDMF-JVPBZIDWSA-N 477.282 -0.592 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@@H]1NC(=O)NC1=O 1793943015 ATMKSVTXBUASLZ-TYYYEBLRSA-N 489.441 -0.679 50 20 JBGD C[C@@H]1Oc2ccc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)c3cccc(B(O)O)c3)cc2NC1=O 1795740352 WVOIDAPINSKLND-XTGKAWNFSA-N 479.298 -0.397 50 20 JBGD COC(=O)[C@@H]1CCC[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)C1 1800963305 CPPNXWZYDDIDFA-SEEKVXKWSA-N 458.320 -0.451 50 20 JBGD O=C(Nc1cc([C@H]2CCCCN2C(=O)COc2ccc(O)nn2)[nH]n1)c1ccc(B(O)O)cc1 1817475411 OTKHSZCQOCYGRR-MRXNPFEDSA-N 466.263 -0.030 50 20 JBGD COc1ncccc1C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835935224 IRTVNPGZUYKJTM-QFIPXVFZSA-N 455.276 -0.846 50 20 JBGD O=C(CSc1ncccn1)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1836112628 HSXDHOVFCZBNJE-OAQYLSRUSA-N 472.332 -0.981 50 20 JBGD CCOc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)nn1 1838830818 NIJDVEUZWFVNMG-JOCHJYFZSA-N 485.501 -0.742 50 20 JBGD C[C@](Cl)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4n(n3)CCNC4=O)C2)C1 1839151353 PCSZNIKUAQFJFH-OALUTQOASA-N 474.345 -0.067 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cn(C)nc3C(F)F)C2)C1 1840184620 XWUYPHPPANTOJK-HXUWFJFHSA-N 472.493 -0.199 50 20 JBGD COc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)c1F 1840793424 VLOMCSYEPOABNA-HSZRJFAPSA-N 472.278 -0.102 50 20 JBGD O=C(NNS(=O)(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1)[C@H]1CCS(=O)(=O)C1 906467684 ZSXBOJGPMIQARG-ZDUSSCGKSA-N 465.575 -0.395 50 20 JBGD CCCC(=O)NCC(=O)NNC(=O)Cn1c(=O)c2c(ncn2CC)n(Cc2ccccc2)c1=O 918756038 QIXHUKLKJQZVIV-UHFFFAOYSA-N 469.502 -0.508 50 20 JBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](O)N1CCOCC1)C2)[C@@H](F)Br 1780774689 IJNZLWWAQUVKKX-GKLJAUDBSA-N 452.321 -0.159 50 20 JBGD CN(CC(=O)N1CC[C@]2(C1)CN(C(=O)Cn1nccn1)CCO2)NC(=O)NCc1ccccc1 1780969386 YYKVSJIRTBXZCU-QFIPXVFZSA-N 470.534 -0.546 50 20 JBGD COC(=O)[C@@H]1CC[C@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)C1 1784082544 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O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccn3ccnc3c1)CCO2 1836984508 ZZMVLQVMUWFPFE-HSZRJFAPSA-N 464.287 -0.602 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4ccccn4n3)C2)C1 1837459595 SLSHJWUKAPLJFH-QHCPKHFHSA-N 479.497 -0.283 50 20 JBGD Cn1ncc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)c1Cl 1838307307 DWASBYGARMETKH-FQEVSTJZSA-N 462.699 -0.863 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)c1ccn(-c3ccccc3)n1)CCO2 1838745154 JJFHJAIRUFPFPC-VWLOTQADSA-N 490.325 -0.064 50 20 JBGD N#C/C(=C\c1ccc(F)cc1F)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](N)CCC(N)=O)C2)C1 1839743426 QASUMYLWINRIRW-WCPBPTQFSA-N 491.495 -0.079 50 20 JBGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C2)C1 1840152864 WZTNLUASWQBDDI-RKRZWIQWSA-N 469.926 -0.169 50 20 JBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCCCC2)cc1 729275270 MXOFXZAUOIWPOW-CQSZACIVSA-N 460.578 -0.121 50 20 JBGD O=C1CN(S(=O)(=O)c2ccc(C(=O)NNC(=O)CNC(=O)c3cccs3)cc2)CCN1 751209323 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NC(=O)c1ncccc1C(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1804805747 DKCGVVUKSCPOCI-LAUBAEHRSA-N 473.298 -0.111 50 20 JBGD O=C(NC[C@H]1CCN(C(=O)c2cc(CO)on2)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807375372 OCWOFWIXTDLTQI-OXQOHEQNSA-N 450.260 -0.125 50 20 JBGD O=C(O)c1cnncc1C(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1810796525 HGLWNAMFLWQHOR-OXJNMPFZSA-N 475.270 -0.117 50 20 JBGD O=C(Cn1cc([N+](=O)[O-])cn1)N[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815337622 UUNURGKWCPGELJ-CYBMUJFWSA-N 470.276 -0.146 50 20 JBGD CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1 1830574975 NADLGWZHZSQESF-VEVIJQCQSA-N 453.895 -0.137 50 20 JBGD Cn1ncnc1C(=O)NC1CCN(C2CCN(C(=O)c3cnccc3C(=O)NN)CC2)CC1 1834074385 AYORARUBADRMEV-UHFFFAOYSA-N 455.523 -0.687 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)c3[nH]nc4ncccc34)C2)C1 1835928131 FMOMILPWWGLYJA-JOCHJYFZSA-N 465.275 -0.979 50 20 JBGD CCC(=O)N[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1836816792 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CN1CCN(S(=O)(=O)c2ccc(NNC(=O)CN3C(=O)[C@@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)cc2)CC1 728213234 VTGQZLLDSAKYPI-IQGAEYHTSA-N 473.555 -0.127 50 20 JBGD CNS(=O)(=O)c1ccc(C(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)o1 728214262 NQHWECVVUUAOIN-UHFFFAOYSA-N 457.534 -0.119 50 20 JBGD Cn1c(=O)n(C)c2cc(C(=O)N3CC[C@@]4(C3)CN(C(=O)c3cnccc3C(=O)NN)CCO4)ccc21 1777865833 ADWXEEQSEPCNIM-XMMPIXPASA-N 493.524 -0.367 50 20 JBGD CS(=O)(=O)c1cccc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)c1 1779028677 HZWRUPHCCIZZAW-JOCHJYFZSA-N 487.538 -0.154 50 20 JBGD Cn1c(=O)c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)nc2ccccc21 1786979675 KBUHEROOIMREEQ-MDKPJZGXSA-N 490.325 -0.480 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)Cc3ccccc3)C[C@@H]21)c1cccc(B(O)O)c1 1786985001 IISGQDSMBGOKFB-UVUJQTEASA-N 452.316 -0.437 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cc(Cl)cn3)C[C@@H]21 1788610474 AQBDSNFPVVYWPZ-ZLIFDBKOSA-N 461.910 -0.172 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC[C@H](N)C(N)=O 1795634826 DAMKXFUPNDGLNV-AODNKKSCSA-N 477.474 -0.684 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(-c3cccnc3)[nH]n1)C2)c1ccc(B(O)O)cc1 1795734396 NWOHWBJIASYBGY-UPHUGPLXSA-N 461.287 -0.332 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)[C@H]1CCc2ccccc2O1 1800947725 CUWDLKLUIQZCJL-GMQQQROESA-N 450.300 -0.037 50 20 JBGD NNC(=O)c1ccncc1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(=O)n3[nH]cnc3n1)CC2 1819795896 VEZJLXJVPDGTBW-VIFPVBQESA-N 494.497 -0.588 50 20 JBGD O=C1NC(=O)[C@H](CC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)N1 1825070228 AUWSTXPRMDPWPO-ROUUACIJSA-N 456.308 -0.802 50 20 JBGD Cc1noc(C)c1CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1833064015 MBMCQDLSLYCEID-QHCPKHFHSA-N 471.319 -0.326 50 20 JBGD CN(CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnccn1)CCO2)NC(=O)NCc1ccccc1 1833976764 LQUZKPAEQHYKFE-DEOSSOPVSA-N 497.556 -0.107 50 20 JBGD C[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc4n(n3)CCNC4=O)CCO2)C1 1834564598 DBOIIIJPJGSBNC-KZULUSFZSA-N 470.324 -0.520 50 20 JBGD C[C@H](C(=O)NC1CCN(C2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1)[C@H]1SC(=N)NC1=O 1835113046 AYLJDDKCDDVKBS-IFXJQAMLSA-N 495.650 -0.267 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn4ncccc4n3)C2)C1 1837459076 IJFQFFNSNIIDET-QFIPXVFZSA-N 480.485 -0.888 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4nc[nH]c4c3)C2)C1 1837459156 KKGZAVNLLUDUKP-QHCPKHFHSA-N 479.497 -0.055 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)C(Cl)(Cl)Cl)CCO2 1839921642 FKUIOPDOEAIATJ-INIZCTEOSA-N 465.526 -0.193 50 20 JBGD O=C(Cc1ccc(F)cc1F)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1839978670 UQAGGECUAPUBAG-QHCPKHFHSA-N 474.269 -0.043 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccn4nccc34)C2)C1 1840185195 NADHCSABJYCPCD-JOCHJYFZSA-N 458.519 -0.223 50 20 JBGD C[C@H](Oc1cccnc1)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1840452293 LKZMUEHMWJCUJE-GAJHUEQPSA-N 469.303 -0.701 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(CN(C(=O)CCc3ccoc3)CCO2)C1 1840515325 HWDPFRNYALNODM-QFIPXVFZSA-N 457.487 -0.019 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC2(CCCN2C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C1 1847089318 RNKOFXBDLMQKPS-AWEZNQCLSA-N 468.555 -0.669 50 20 JBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)CN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 913500036 FBNJGBFOCDGQSW-KODHJQJWSA-N 460.512 -0.430 50 20 JBGD CCn1cnc2c1c(=O)n(CC(=O)NNC(=O)[C@H](C)S(C)(=O)=O)c(=O)n2Cc1ccccc1 918017476 YNSSEMQHFRLKKJ-ZDUSSCGKSA-N 476.515 -0.992 50 20 JBGD O=C1Nc2c(cccc2C(=O)N2CC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)C1=O 1778709454 CXINZQFGKGURQH-QHCPKHFHSA-N 463.255 -0.742 50 20 JBGD COCCOCCOCCOCCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1781380121 KMBFAKVXJMYORG-YLJYHZDGSA-N 466.959 -0.498 50 20 JBGD CN(CC(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CNC(=O)C3)C2)C1)NC(=O)NCc1ccccc1 1783164899 GKBDMPAUXBXBKO-WZONZLPQSA-N 472.546 -0.701 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]2C1 1784096678 JVKIHYWPNQXUNJ-LXFSFDBISA-N 476.958 -0.666 50 20 JBGD CN(CC(=O)N1CCO[C@]2(CCN(C(=O)CN3C(=O)C=CC3=O)C2)C1)NC(=O)NCc1ccccc1 1784119342 XADFPHXZOHDCPH-DEOSSOPVSA-N 498.540 -0.913 50 20 JBGD Cn1nc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)c2c1CCC2 1786983043 LVJNPBLUNWIVKJ-QSFXBCCZSA-N 452.320 -0.504 50 20 JBGD Cc1nc(N)sc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1 1788610727 RBOQEZDRQHBPBV-CQDKDKBSSA-N 459.532 -0.061 50 20 JBGD C[C@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc2n(n1)CCNC2=O 1794970871 WTPRXDVOFWPGCD-MCYUEQNJSA-N 454.325 -0.139 50 20 JBGD COc1cccc(OC)c1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795735203 PCLXPHSEPATLJK-VPTLXERWSA-N 454.288 -0.099 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(-c3ccccn3)[nH]n1)C2)c1cccc(B(O)O)c1 1795740314 RFGFHOJNXSMDLO-VPTLXERWSA-N 461.287 -0.332 50 20 JBGD C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1800863844 FZKXZKCXWCWFSQ-NYCLONFESA-N 461.324 -0.517 50 20 JBGD CC[C@H](NC(C)=O)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1802544216 JSKZHYKYLQEQPU-SESVDKBCSA-N 452.320 -0.004 50 20 JBGD CCC(=O)N[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1803429650 CZXWPCKWJDRJSH-FPDPHYFHSA-N 452.320 -0.004 50 20 JBGD C[C@H](CS(C)(=O)=O)C(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807364734 JYEBFJIISYQBIF-BPAFIMBUSA-N 473.360 -0.238 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccnc1S)CCO2 1829794276 PKYAIWHEEPAOPQ-OAQYLSRUSA-N 457.317 -0.566 50 20 JBGD COc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1830232285 XIGGINCDYKJYOT-HSZRJFAPSA-N 478.546 -0.097 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(=O)c3ccccc3o1)CCO2 1830310566 WGOSDWMYWNGYDX-RUZDIDTESA-N 492.293 -0.143 50 20 JBGD CCC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCS(=O)(=O)CC3)C2)C1 1831640541 NJMXTDBWNHXWKQ-QFBILLFUSA-N 466.000 -0.419 50 20 JBGD CC(=O)NC(C)(C)C(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834798091 RXXNSJGNZRNFPI-UHFFFAOYSA-N 458.368 -0.534 50 20 JBGD CCC[C@@H](NC(C)=O)C(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834800639 UNUSSGXVDDZNTQ-JOCHJYFZSA-N 472.395 -0.144 50 20 JBGD CCn1nc(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)cc1C 1835931052 DTWWMSYKDHPPOQ-QFIPXVFZSA-N 456.308 -0.725 50 20 JBGD COc1ccccc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835931692 XNBNBEAZGMHQQV-HSZRJFAPSA-N 454.288 -0.241 50 20 JBGD Cc1cnc2c(C(=O)N3CCO[C@@]4(COCCN(C(=O)c5cnccc5C(=O)NN)C4)C3)cnn2c1 1836947305 JRIJOCKKXUIXOY-HSZRJFAPSA-N 494.512 -0.580 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)c1cccn3cncc13)CCO2 1837109584 PDQHJYWVGUQDAY-QHCPKHFHSA-N 464.287 -0.602 50 20 JBGD CC(C)n1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)n1 1838787662 TWFVFNCRRNPFEK-QFIPXVFZSA-N 471.518 -0.154 50 20 JBGD CC[C@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)CN(C)NC(=O)NCc3ccccc3)CCO2)C1 1839054028 CIYVMLHWXMTKDZ-WMZHIEFXSA-N 477.562 -0.440 50 20 JBGD COC[C@H](NC(C)=O)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839200902 RXRBFCYTMIQTDI-HEHGZKQESA-N 454.293 -0.716 50 20 JBGD O=C(COc1ccccc1F)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1839968949 OMUKASHFLGNDLD-QHCPKHFHSA-N 472.278 -0.346 50 20 JBGD COCCOCCOCCOCC(=O)N1CCO[C@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1840082914 WSNHBEAPTVTPNC-LJQANCHMSA-N 487.377 -0.057 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CC(c4ccccc4)=NN3)C2)C1 1840185735 WLHLBRAGKRRNKD-GBXCKJPGSA-N 486.573 -0.418 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1C[C@@]1(F)Cl)CCO2 1840245919 CCGAPULGVURVIK-JVPBZIDWSA-N 455.874 -0.320 50 20 JBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl 729275948 TVPRWUIBPCLPJU-SNVBAGLBSA-N 452.942 -0.177 50 20 JBGD O=C(NNC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)c1cccc(S(=O)(=O)N2CCCC2)c1 914830383 RGHHFZAZRHMRBB-HZPDHXFCSA-N 498.583 -0.732 50 20 JBGD COCCn1cnc2c1c(=O)n(CC(=O)NNC(=O)[C@H](C)n1cccn1)c(=O)n2Cc1ccccc1 918253318 OEWNTMGYXARZEI-INIZCTEOSA-N 494.512 -0.341 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1ncn(-c2cccc(F)c2)n1 1785545649 DGHAWZNKCFQMJV-NDXORKPFSA-N 493.304 -0.007 50 20 JBGD Cc1cc(C)n(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cnccc4C(=O)NN)[C@H]3C2)n1 1788611725 WBDRYIGDINXGMO-SNRMKQJTSA-N 455.519 -0.208 50 20 JBGD COC(=O)[C@H]1CC[C@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]3C2)C1 1791288030 OSEKOWGFFNYCFB-ATIWLJMLSA-N 452.552 -0.072 50 20 JBGD COC(=O)c1ccc(OCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)cc1 1792341118 WVGYVAJTEUEWAW-NYVOZVTQSA-N 496.325 -0.175 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCn1c(=O)oc3ccccc31)C2)c1ccc(B(O)O)cc1 1795732879 OQMJVMZZXDASOJ-FAQVEIGNSA-N 479.298 -0.432 50 20 JBGD CC(C)NC(=O)OC(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795739951 VODKOQXMQHKZSJ-ALXJQNPVSA-N 461.324 -0.517 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN1C(=O)C=CC1=O)C2 1796439600 PFLUXPRKTGCONP-TWUMKHSUSA-N 470.486 -0.975 50 20 JBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3cccnn3n1)C2 1797751499 ARPSNCLPSUNYDQ-IVWMJMPLSA-N 450.459 -0.755 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]cc1[N+](=O)[O-] 1798010962 MWIJNJAHAMPCSO-HAUZGWTQSA-N 458.435 -0.345 50 20 JBGD COC(=O)c1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)s1 1799046751 MNDHPQPRLDCLTE-DBWKPXFBSA-N 487.538 -0.021 50 20 JBGD CN(CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN(CCO)CCO)C2)NC(=O)NCc1ccccc1 1799869098 CZDVRQWVQMXYTH-WKCHPHFGSA-N 490.605 -0.743 50 20 JBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(S(C)(=O)=O)c(F)c1 1801870019 DKRBUFQKWLHKBL-YVWYUNDQSA-N 484.550 -0.195 50 20 JBGD CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807373216 PIQSWSJHNXDGRX-HFSMHLIXSA-N 498.345 -0.076 50 20 JBGD O=C(Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)C=CC2=O)[nH]n1)c1ccc(B(O)O)cc1 1817474934 JJYVHGSLQPGLNG-MRXNPFEDSA-N 451.248 -0.680 50 20 JBGD CN(C)NC(=O)CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1822414808 ZDDLRVKTBTVLJP-KRWDZBQOSA-N 456.312 -0.232 50 20 JBGD CS(=O)(=O)CCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cnccc1C(=O)NN)CC2 1827208939 RHBDBWGRAQMSBA-SNVBAGLBSA-N 466.545 -0.198 50 20 JBGD C[C@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)CCN3C(=O)C=CC3=O)C2)C1 1830535144 JVOPCTSWIDZEBX-KUHUBIRLSA-N 472.336 -0.211 50 20 JBGD O=C(CCCc1ccncc1)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1833055589 MTZNHQJFSZPSPV-XMMPIXPASA-N 467.331 -0.146 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(=O)oc3)CCO2)C1 1834594513 XGQXCTGVKYLXTC-OAQYLSRUSA-N 457.443 -0.978 50 20 JBGD O=C(Cc1ccc2c(c1)OCO2)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1835168727 AMVJFCMNMITAPH-DEOSSOPVSA-N 482.298 -0.592 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)c3noc4c3CCCC4)C2)C1 1835928342 LKURRKVUWXSXSK-QHCPKHFHSA-N 469.303 -0.383 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)c3ncn(-c4ccccc4)n3)C2)C1 1835928546 RAOLZHVVJFTYGS-DEOSSOPVSA-N 491.313 -0.669 50 20 JBGD COC(=O)c1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)cc1 1835940032 UFOPVIMTGVORJQ-RUZDIDTESA-N 496.325 -0.534 50 20 JBGD O=C(Cc1cc(F)cc(F)c1)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1836120391 RYZJSEDIAPSXOW-QHCPKHFHSA-N 474.269 -0.043 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc4c(n3)OCCO4)CCO2)C1 1836470469 ZQOKETKCZAGUGI-QHCPKHFHSA-N 498.496 -0.765 50 20 JBGD Cc1cccc(C)c1NC(=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1839157121 JXXIIGJEBNEGDY-RUZDIDTESA-N 495.341 -0.308 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)C1(Br)CC1)CCO2 1839206947 FLOCBDURSMYBLP-SFHVURJKSA-N 467.125 -0.636 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(O)cc1F)CCO2 1839317667 NVUSSQOCQUOBTO-OAQYLSRUSA-N 452.483 -0.026 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](CCO)NC(=O)OC(C)(C)C 1847644485 XEUNQIVPJVFMQW-PMPSAXMXSA-N 455.556 -0.163 50 20 JBGD CN(CC(=O)NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1)S(C)(=O)=O 106012034 ZHCSKZAQUCMDHM-UHFFFAOYSA-N 454.530 -0.183 50 20 JBGD CC(C)NC(=O)CNC(=S)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 727269864 AEMRPJZQMSTXPR-UHFFFAOYSA-N 471.605 -0.340 50 20 JBGD Cc1cccc(N2CCN(S(=O)(=O)CC(=O)N([C@H]3CCS(=O)(=O)C3)N(C)C)CC2)c1 919987852 AXUZNGTUDSYETG-SFHVURJKSA-N 458.606 -0.061 50 20 JBGD COc1ccccc1C(=O)N1CC(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](O)CCl)C1 1792975566 VGKVTMDOOOMOAI-LORHWOILSA-N 465.934 -0.044 50 20 JBGD Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](O)CCl)cc1 1792975854 ZYYIYGCOZIMALB-DTJSUFBGSA-N 473.979 -0.149 50 20 JBGD O=C1COc2ccc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)c3cccc(B(O)O)c3)cc2N1 1795739275 YNWCTMKGJLZZON-VPTLXERWSA-N 465.271 -0.786 50 20 JBGD Cc1nn[nH]c1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN(C)NC(=O)NCc1ccccc1)C2 1795979046 ROGZVXMSUXLJTL-XEMDLRDOSA-N 470.534 -0.337 50 20 JBGD CN(CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCC(=O)NC1)C2)NC(=O)NCc1ccccc1 1799095427 UVAQUWDFAKJMDQ-VWNVYAMZSA-N 486.573 -0.552 50 20 JBGD O=C(COc1cccnn1)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1813389096 NNMCPNUOGLPOHR-GCJKJVERSA-N 461.287 -0.050 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCC(N2CCC(NC(=O)[C@@H](O)CCl)CC2)CC1 1833312459 NMIGJDUOWSCNON-KRWDZBQOSA-N 452.943 -0.530 50 20 JBGD Cn1ncc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)c1C(F)(F)F 1833326049 BIPWWPGVDNQFJI-FQEVSTJZSA-N 496.251 -0.498 50 20 JBGD Cc1ccncc1CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835927468 PCFBKFVWYSVQPL-XMMPIXPASA-N 467.331 -0.227 50 20 JBGD CC(=O)Nc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)o1 1835937908 AWXLYZYTHFRFBR-QFIPXVFZSA-N 471.275 -0.698 50 20 JBGD Cn1nc(C(F)(F)F)cc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835938058 HWGQXAIVZCQJQL-HXUWFJFHSA-N 496.251 -0.498 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(CN(C(=O)CCCn3ccnc3)CCO2)C1 1840384741 KJNFKHCPZKPDCU-QFIPXVFZSA-N 471.518 -0.568 50 20 JBGD C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1840907050 OOMKFULDWIAACJ-CKJXQJPGSA-N 473.954 -0.041 50 20 JBGD COc1ccccc1C(=O)N1CC(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2cccc(B(O)O)c2)C1 1847455433 PGNCEJLEUXVOSV-SFTDATJTSA-N 477.326 -0.037 50 20 JBGD CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cc1 9931145 JWXJOPYEZPXTCI-AWEZNQCLSA-N 474.561 -0.971 50 20 JBGD CCn1cc(S(=O)(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cn1 727353442 UGPRBXCNRZGMJB-UHFFFAOYSA-N 471.561 -0.134 50 20 JBGD CS(=O)(=O)CC[C@@H](NS(=O)(=O)/C=C\c1ccccc1)C(=O)NNC(=O)N1CCOCC1 745995987 GUHQWGDCMVBATE-ACQAZONXSA-N 474.561 -0.547 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CSc1nc[nH]n1)C2 1782214394 PPAHDPBTVKLQGV-AUUYWEPGSA-N 453.569 -0.216 50 20 JBGD O=C(CSc1nc[nH]n1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2 1782480289 YYTZGEGTKCIKKB-OXQOHEQNSA-N 459.337 -0.596 50 20 JBGD CC(=O)N[C@H](Cc1cccc(F)c1)C(=O)N1CC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1785454079 JJMFCVHTVCFMHP-RCZVLFRGSA-N 497.332 -0.304 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(=O)n3O)[C@H]2C1 1785632345 DFDXNEFHPUYCFN-ARQYOALSSA-N 470.486 -0.187 50 20 JBGD O=C1CSc2ncc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)c5cccc(B(O)O)c5)[C@H]4C3)cc2N1 1786984943 BYBZJHDNTYNHIO-FNHZYXHNSA-N 496.354 -0.287 50 20 JBGD C[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN(C)NC(=O)NCc1ccccc1)n1cnnn1 1799098188 ATSDTVWJZLXFMP-BOLBYERCSA-N 485.549 -0.830 50 20 JBGD CCOC(=O)c1ncn2c1CC[C@H](C(=O)N[C@@H]1[C@H]3COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C3)C2 1800325251 QTEVKVRGASZIKV-QZLJAVCYSA-N 468.938 -0.189 50 20 JBGD N=C1NCCN1CC(=O)NC[C@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1807116888 XTKUWQBGYBYBQC-BEFAXECRSA-N 465.518 -0.760 50 20 JBGD O=C(CNCP(=O)(O)O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827051480 YZVDGTSTCUZKBT-SFHVURJKSA-N 467.268 -0.676 50 20 JBGD CCS(=O)(=O)N[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827055567 DACGMVHFLYJHES-UZLBHIALSA-N 479.408 -0.073 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(=O)n3[nH]nnc3n2)CC1 1831871214 NHALRRAOADRQTD-MRXNPFEDSA-N 473.538 -0.581 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cn(C)nc1C)CCO2 1831872864 ZEVMKMXACIFNAB-ZHNJOBQTSA-N 471.518 -0.067 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCc4ccoc4C3)C2)C1 1835934306 UYVYSIRALGIBBN-DVECYGJZSA-N 468.315 -0.166 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3[nH]cc4c3CCC4)C2)C1 1837459276 BAGOYFCXOBZMKX-QHCPKHFHSA-N 468.514 -0.114 50 20 JBGD O=C(CCN1CCOCC1)N1CCC(OC2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1837815929 QMNCTOVUCMSQIV-UHFFFAOYSA-N 473.379 -0.299 50 20 JBGD O=C(c1cc(=O)nc2cccnn12)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1838501469 GSTBQBQGJUPCAJ-QAPCUYQASA-N 484.282 -0.150 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(N)=O)C2)C1 1838528381 UPFVOJABCKBCII-OAQYLSRUSA-N 478.458 -0.144 50 20 JBGD COc1cccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)c1C 1840069959 OVWQHOXRYGVZCY-VWLOTQADSA-N 482.342 -0.004 50 20 JBGD C[C@@H](Oc1ccccn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1840424483 ODJSOYAGEARTIC-HXOBKFHXSA-N 469.303 -0.701 50 20 JBGD CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)c1cccc(B(O)O)c1)C2 1847040498 AXLAAXNJADHCHF-QGZVFWFLSA-N 489.334 -0.360 50 20 JBGD COc1cc2c(cc1OC)[C@@H](CC(=O)NNC(=O)N[C@H](C)Cn1cncn1)N(S(C)(=O)=O)CC2 749213643 YZFCPZQAEFKWGJ-CZUORRHYSA-N 495.562 -0.037 50 20 JBGD Cc1nc2ccccn2c1C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 907231867 JCSLBOAPIAJGIL-UHFFFAOYSA-N 456.484 -0.162 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(C1)CN(C(=O)c1nc(O)n3c1CCCC3)CCO2 1779032753 XRMZTEFHDVDNAP-QFIPXVFZSA-N 469.502 -0.319 50 20 JBGD Cn1c(=O)c2c(ncn2CC(=O)N2CCO[C@@]3(CCN(C(=O)CO[Si](C)(C)C)C3)C2)n(C)c1=O 1779294791 ZIUBTPROWYSWTG-OAQYLSRUSA-N 492.609 -0.885 50 20 JBGD NC(=O)c1ccccc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2 1780990120 GPBMBSCHZQAHQD-HYBUGGRVSA-N 465.315 -0.093 50 20 JBGD Cn1nc2c(c1C(=O)NC[C@@H]1OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]31)CCC2 1790461575 QHDCOLGVYIWQRE-QSFXBCCZSA-N 452.320 -0.504 50 20 JBGD C[S@@](=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2 1792794271 SVVOJJCOUQXQCM-LUPATUDMSA-N 496.026 -0.162 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C(=O)O)ncn1 1794367845 SMICMUKMIMTGKY-IZJYNLIKSA-N 469.458 -0.488 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CC(=O)N(Cc3ccccc3)C1)C2)c1cccc(B(O)O)c1 1795737656 GOMOTJRXZRKQRU-IUBSTNSRSA-N 491.353 -0.382 50 20 JBGD CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(B(O)O)c1)C2 1802028569 VNRBFARGIHMQEE-IVDHNXQLSA-N 487.362 -0.012 50 20 JBGD CCS(=O)(=O)N[C@H](C)C(=O)N1CCCC2(CCN(C(=O)c3cnccc3C(=O)NN)CC2)C1 1805956567 HXUUBGJZBLFION-OAHLLOKOSA-N 480.591 -0.142 50 20 JBGD CN(C)NC(=O)CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H](O)N2CCOCC2)[nH]n1 1822415356 YUEHFEMMAGUGCK-KXBFYZLASA-N 451.528 -0.575 50 20 JBGD O=C1CC(C(=O)N2CCN(C(=O)OCc3ccccc3)[C@]3(CCN(C(=O)[C@@H](O)CCl)C3)C2)=NN1 1829121633 WBXYNYOQMXSDLG-JTSKRJEESA-N 491.932 -0.086 50 20 JBGD N#Cc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)cc1 1829902369 OGIIWBILSAFBNN-XMMPIXPASA-N 463.299 -0.449 50 20 JBGD COCCOCCOCCOCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830734047 ZSLUMBWEYQGCJY-WIYYLYMNSA-N 496.985 -0.871 50 20 JBGD COc1cc(N2CCC(C(=O)N3CCO[C@]4(COCCN(C(=O)[C@@H](O)CCl)C4)C3)CC2)ncn1 1830957450 JIMZRYQLFCDWPR-HTAPYJJXSA-N 497.980 -0.242 50 20 JBGD CCOC(=O)/C=C/C(=O)NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834401417 BQOJLHXCSBRHCR-BQYQJAHWSA-N 457.336 -0.329 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC1CCN(C2CCN(C(=O)[C@H](C)NC=O)CC2)CC1 1835117917 WPYHDMFVRFVBCQ-WBILBPDKSA-N 459.551 -0.174 50 20 JBGD Cc1ccncc1CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835927467 PCFBKFVWYSVQPL-DEOSSOPVSA-N 467.331 -0.227 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)c3cncc4cnccc34)C2)C1 1835931432 SEMLYHVYAHFIEI-XMMPIXPASA-N 476.298 -0.307 50 20 JBGD N#Cc1cccc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)c1 1835934089 MYSBQCMBCOWCRM-RUZDIDTESA-N 477.326 -0.059 50 20 JBGD O=C(Cc1cnc2ccccn12)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835934296 UJLXMXNTKBHLLG-XMMPIXPASA-N 478.314 -0.673 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)c3cccc4ccnn34)C2)C1 1835939603 UZVRYNAMNAGHHA-HSZRJFAPSA-N 464.287 -0.602 50 20 JBGD CCOC(=O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835940824 BKSWDFHXIZPRJH-QFIPXVFZSA-N 462.308 -0.974 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(Cl)cnc3O)C2)C1 1837456877 RIXJZXXQASDBEB-NRFANRHFSA-N 490.904 -0.177 50 20 JBGD C[C@H](C(=O)N1CCC(OC2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1)N1CCN(C)CC1 1837920015 BSLVWQXYISUKDS-LJQANCHMSA-N 486.422 -0.386 50 20 JBGD O=C(c1cc(=O)nc2sccn12)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1838414151 CNAMGULIJOYTKD-UGSOOPFHSA-N 456.908 -0.574 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3nccn3)C2)C1 1838528341 RVLQJNOFAVHARL-OAQYLSRUSA-N 488.457 -0.118 50 20 JBGD CN(CC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cnc[nH]3)C2)C1)NC(=O)NCc1ccccc1 1839054165 JGXJPFMNLWGSIR-XMMPIXPASA-N 499.572 -0.245 50 20 JBGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCN3CCN(C)CC3)C2)C1 1840032323 VLBMVZADZJLVJS-QFBILLFUSA-N 461.401 -0.136 50 20 JBGD COC[C@H](Cl)C(=O)N1CC2(CCCN2C(=O)[C@H]2CSCN2C(=O)[C@@H]2CCC(=O)N2)C1 1845874645 WFVLCVZOGFHNCR-MELADBBJSA-N 458.968 -0.376 50 20 JBGD NC(=O)c1cccc(CCNC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c1 726717863 FRGMVXKAZCOXGS-UHFFFAOYSA-N 475.527 -0.007 50 20 JBGD COc1ccc(S(=O)(=O)N2CCC(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)CC2)cc1OC 729274676 AAQRDJGJWQZKDD-GFCCVEGCSA-N 492.576 -0.810 50 20 JBGD C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)NNC(=O)c3ccc(C#N)cc3)CC2)C[C@@H](C)O1 747103553 RCZJHYSCYMLLST-GASCZTMLSA-N 450.521 -0.116 50 20 JBGD O=C(CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21)NNC(=O)C(=O)N1CCCC1 748247180 LFHIGXBNTARCJS-UHFFFAOYSA-N 479.515 -0.461 50 20 JBGD Cc1cc2nnc(C(=O)NC[C@@]34CCCO[C@@H]3CCN(C(=O)c3ccc(B(O)O)cc3)C4)c(C)n2n1 1778560601 JRGYJSADKRHYHU-NTKDMRAZSA-N 492.345 -0.138 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)c3cc([N+](=O)[O-])cc4c3OCC4)C2)C1 1780091820 QJROBMCMCUQXCY-HSZRJFAPSA-N 481.270 -0.033 50 20 JBGD COc1ccc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)c(C#N)c1 1781173347 CSNMWAVTRJJYTR-XMMPIXPASA-N 463.299 -0.067 50 20 JBGD COC(=O)[C@H]1CC[C@@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)C1 1784082535 RLSVEMRRKOIJFY-ORZNMBHWSA-N 458.320 -0.451 50 20 JBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COCCNC(=O)OC(C)(C)C 1799260869 VTWUBXIHHPTQFO-CWPLJXCYSA-N 485.582 -0.510 50 20 JBGD CC(=O)NCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN(C)NC(=O)NCc1ccccc1)C2 1800541135 HJWOLOMZIANFHB-HATOLVCRSA-N 474.562 -0.552 50 20 JBGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C2 1800982752 KHLDGAUXKCNWFI-RGHULWKBSA-N 476.958 -0.402 50 20 JBGD CN1CCN(CC(=O)N2CC[C@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)CC1 1807376664 VULHRGLIDAYFNK-NFBKMPQASA-N 465.363 -0.672 50 20 JBGD O=C(Cn1ccncc1=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1812341764 NSELDHCOHDNHSC-PGRDOPGGSA-N 461.287 -0.662 50 20 JBGD CN(CC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cnccc2C(=O)NN)CC1)C(=O)C(=O)O 1828924557 SIHJTUBBYVCXLW-KRWDZBQOSA-N 474.518 -0.539 50 20 JBGD Cc1nn(C)c(C)c1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1831810332 YWIAYPGSJZPXCF-JOCHJYFZSA-N 456.308 -0.899 50 20 JBGD Cc1cncc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)c1 1832954723 IVOVYRYJKRWGNZ-DEOSSOPVSA-N 467.331 -0.227 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCC(N2CCC(NC(=O)c3ccc[n+]([O-])c3)CC2)CC1 1833908410 JIALIFZQSIPWGN-UHFFFAOYSA-N 467.530 -0.183 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)c1cnoc1C1CC1)CCO2 1834612280 ILPHXQGHJLAJOT-JOCHJYFZSA-N 455.276 -0.384 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)CCC(=O)N3CCCC3)CC2)CC1)c1cccc(B(O)O)c1 1834799839 HCYUMSGXROGWSJ-UHFFFAOYSA-N 484.406 -0.046 50 20 JBGD CCC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(=O)n4[nH]cnc4n3)CCO2)C1 1835921110 SYSFUTUMAZPUTN-BFUOFWGJSA-N 452.899 -0.105 50 20 JBGD CC(C)(C)n1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)cn1 1835935241 JWZCVVFMYLVKRV-HSZRJFAPSA-N 470.335 -0.298 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cn4ncccc4n3)C2)C1 1837459072 IJFQFFNSNIIDET-JOCHJYFZSA-N 480.485 -0.888 50 20 JBGD O=C(c1cc(=O)n2[nH]cnc2n1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839199327 NGQXBKYLMCDLMK-WBMJQRKESA-N 473.259 -0.822 50 20 JBGD O=C([C@@H]1CCCS1(=O)=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839203100 ZUAZDBSNNRPEDW-SLEUVZQESA-N 457.318 -0.290 50 20 JBGD CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1839209546 HYIOSWBATPICLV-SIFCLUCFSA-N 479.958 -0.682 50 20 JBGD CCOC(=O)C1(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)CC1 1839762360 IVDWBJVMQGDONV-HXUWFJFHSA-N 454.524 -0.841 50 20 JBGD CS(=O)(=O)NCCc1ccc(C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1 753859722 RBMBGEXWYDAMFT-SFHVURJKSA-N 477.495 -0.078 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(=O)nc4cccnn34)C2)C1 1780061972 UTDNFHSUMBKSSP-HGQHNSGJSA-N 492.496 -0.333 50 20 JBGD COC[C@@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3n[nH]c4c3CS(=O)(=O)C4)[C@H]2C1 1787152126 FMQOELQIBSYESR-MEDZGJRSSA-N 460.940 -0.315 50 20 JBGD COC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4n(n3)CCCNC4=O)C[C@@H]21 1791254742 SPAOJCMWAXACNI-WSMBLCCSSA-N 453.927 -0.136 50 20 JBGD CC(C)(C)OC(=O)N1[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)C[C@H]2C[C@H]21 1792996926 ZRWIHTCNHCXTOS-VRNFHHEUSA-N 499.373 -0.033 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1[C@@H](O)CCN1Cc1ccccc1)C2)c1cccc(B(O)O)c1 1795740623 IZAIOXVQIVOYEI-IOXZRWQCSA-N 493.369 -0.795 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCCS1(=O)=O)C2 1796444171 YVVYCGIEBGLLDU-XHPRPZMGSA-N 465.532 -0.713 50 20 JBGD O=C(NC[C@@H]1CCN(C(=O)c2cc(=O)nc3cccnn23)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807363226 YZFAXTVICASFTO-MBSDFSHPSA-N 498.308 -0.202 50 20 JBGD C[C@@H](C(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1)N1CCN(C)CC1 1807364655 GONKCCDNWPSLTP-QTGUNEKASA-N 479.390 -0.283 50 20 JBGD C[C@H](CS(C)(=O)=O)C(=O)N1CCC2(CCCN(C(=O)c3ccc(B(O)O)cc3)C2)CC1 1809969315 PPUFCFFDBIEBOK-MRXNPFEDSA-N 450.366 -0.108 50 20 JBGD CCNC(=S)NCC(=O)N1CC[C@H](CNC(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1810304883 GVIKSWGKTZWOLQ-BEFAXECRSA-N 484.586 -0.116 50 20 JBGD C=CC(=O)N[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1810527172 NORPVWFEQHKOEC-FQELHTAISA-N 450.304 -0.228 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@H](CNC(=O)c2c[nH]c(=O)cn2)[C@@H]1c1cccnc1 1811449470 OKPPRZICYIBDRZ-LIRRHRJNSA-N 462.470 -0.203 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H](CNC(=O)[C@@H]2CCCS2(=O)=O)[C@H]1c1cccnc1 1812496723 LPWUKVHSCNMMEM-AYOQOUSVSA-N 486.554 -0.023 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)CS(=O)(=O)N2CCCC2)[C@H]1c1cccnc1 1813071239 QJBQPKUAFAYOGE-AVRDEDQJSA-N 494.618 -0.114 50 20 JBGD O=C1NCCn2nc(C(=O)N3CCC([C@H]4CCCCN4C(=O)c4ccc(B(O)O)cc4)CC3)cc21 1827051017 KSTPIPFERWUPEV-HXUWFJFHSA-N 479.346 -0.147 50 20 JBGD O=C(Cn1ccncc1=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827053245 HAUCPGPABDUSOC-HXUWFJFHSA-N 452.320 -0.143 50 20 JBGD Nc1n[nH]c(CCC(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc(B(O)O)c3)CC2)n1 1827057568 JPDNBJPSQVHZKJ-GOSISDBHSA-N 454.340 -0.067 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H](O)N2CCOCC2)CC1 1828924324 PTGVFODBZWCOJC-CVDCTZTESA-N 474.562 -0.431 50 20 JBGD CC(C)N1CCC(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)CC1 1832412831 UJESYBFXWXQHBT-XMMPIXPASA-N 473.379 -0.443 50 20 JBGD C[C@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)C[C@@H]3NC(=O)NC3=O)CCO2)C1 1832685647 QYMALFQXXREYOM-BWACUDIHSA-N 461.313 -0.928 50 20 JBGD COCCC(=O)N1CCO[C@]2(COCCN(C(=O)CN(C)NC(=O)NCc3ccccc3)C2)C1 1835234975 DNHZQEKEZBBDLN-HSZRJFAPSA-N 477.562 -0.175 50 20 JBGD COC[C@H](NC(C)=O)C(=O)NC1CCN(C2CCN(C(=O)c3cnccc3C(=O)NN)CC2)CC1 1835844350 DDRREBLASMZHDI-FQEVSTJZSA-N 489.577 -0.979 50 20 JBGD O=C(CCCc1ccncc1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835927414 OISXAXJXCIHTTE-DEOSSOPVSA-N 467.331 -0.146 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)[C@H]3ON=C(c4ccccc4)O3)C2)C1 1835930220 CVVVERWKYIERCZ-DNQXCXABSA-N 495.297 -0.829 50 20 JBGD COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)c(C#N)c1 1835930987 BTIMHEMSLOHTBZ-RUZDIDTESA-N 493.325 -0.441 50 20 JBGD Cc1cnn([C@H](C)C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)c1 1835934163 NNADOMCLWUQLIN-VGSWGCGISA-N 456.308 -0.797 50 20 JBGD C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1)c1ccccn1 1835934508 WDYWTHMKRMDIBO-SBUREZEXSA-N 453.304 -0.365 50 20 JBGD O=C(c1ccc(O)c([N+](=O)[O-])c1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835939008 BHCLMLDGWYLEPT-JOCHJYFZSA-N 485.258 -0.636 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)c3cnn4cccc(F)c34)C2)C1 1835939295 LCDDGPCVWFXOJN-QHCPKHFHSA-N 482.277 -0.463 50 20 JBGD Cc1ncc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)s1 1835939571 AXJDNESDQCLGJP-NRFANRHFSA-N 459.333 -0.556 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)NC=O)C2)C1 1838528428 WQHRVKTYGCQLPF-SPLOXXLWSA-N 478.458 -0.275 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(-n3cccn3)cc1)CCO2 1839337069 HQIAXJDRKAQKDE-RUZDIDTESA-N 490.325 -0.064 50 20 JBGD COc1ccc(F)cc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1840688394 SYBJDXVPQOBVDF-HSZRJFAPSA-N 472.278 -0.102 50 20 JBGD CCOC(=O)c1ncn2c1CC[C@H](C(=O)N1CCCC13CN(C(=O)c1ccc(B(O)O)cc1)C3)C2 1845862412 QOBIQVNDFBPNPJ-KRWDZBQOSA-N 480.330 -0.181 50 20 JBGD COCCN1C(=O)c2ccc(C(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)cc2S1(=O)=O 917926325 WILVBNPUKYWFLD-UHFFFAOYSA-N 471.455 -0.472 50 20 JBGD O=C(Cc1ccc(S(=O)(=O)N2CCCCC2)s1)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 919883206 BJULBSLKOGJTIJ-GFCCVEGCSA-N 464.591 -0.017 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CS(=O)(=O)N2CCCC2)C1 1778091807 YIQDAYOLBAJAAC-DYESRHJHSA-N 487.623 -0.701 50 20 JBGD CS(=O)(=O)c1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)nc1 1779028930 PRTXNJMSUXSDNC-OAQYLSRUSA-N 488.526 -0.759 50 20 JBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2)c1ccnc2c1OCO2 1780023311 SVTMEZAVWPGJRA-WZONZLPQSA-N 467.287 -0.069 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(=O)c3cccnc3)[C@H]2C1 1785172530 HJDGXAWZWSUGFY-BZSNNMDCSA-N 460.535 -0.836 50 20 JBGD O=C(NCCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2)c1ccccc1 1785327182 DIQHRAPVHYMDAY-DEOSSOPVSA-N 465.315 -0.370 50 20 JBGD CN(C)C(=O)c1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)c1 1795736835 KHAMHALCCIBIIX-CEQLMSFQSA-N 465.315 -0.415 50 20 JBGD CC(C)(C)OC(=O)N1CC[C@H]2C[C@]21C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795736879 PAUKPWQKIAZORR-QRSWUFQOSA-N 499.373 -0.031 50 20 JBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(-n2cccn2)nc1 1798214585 ZNMNGIHYBNUHRQ-UPHUGPLXSA-N 455.519 -0.157 50 20 JBGD COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1800949989 BJOGUSNEIGKZFA-ZRSLWSEBSA-N 456.304 -0.675 50 20 JBGD COC[C@H](Cl)C(=O)NC[C@@H]1CCN(C(=O)c2cc(=O)n3[nH]nnc3n2)[C@H]1c1cccnc1 1813030087 DIXZDHMVKIQUFB-XEZPLFJOSA-N 460.882 -0.219 50 20 JBGD O=C(CCN1CCOCC1)N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815354431 ASSARRXCSGZHNH-INIZCTEOSA-N 458.349 -0.229 50 20 JBGD C[C@@H](Cn1cncn1)C(=O)N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815356803 RSJCYHPMIIKTET-WFASDCNBSA-N 454.321 -0.024 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(Cl)cnc1O)CCO2 1829560304 MLXXEBFEQLUQRI-OAQYLSRUSA-N 475.694 -0.496 50 20 JBGD CO[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](O)CCl)CCO2)C1 1830725057 DDLHOPWPMUBVJU-PTDBIEIZSA-N 493.985 -0.029 50 20 JBGD C[C@](O)(C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1)C(F)(F)F 1832161047 UBZVNPXUEBSCKL-ROUUACIJSA-N 475.424 -0.932 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CC(=O)N(C3CCCC3)C1)CCO2 1832356954 JOLIUQYHNOQCET-CLOONOSVSA-N 499.373 -0.773 50 20 JBGD O=C(/C=C/c1cccnc1)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1833098931 CPNPXWVPUBTTDT-YQTDCCHMSA-N 451.288 -0.455 50 20 JBGD CN(C)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1833661394 RWIWTUYVKNIXEY-HSZRJFAPSA-N 468.319 -0.789 50 20 JBGD C[C@@H](Br)C(=O)N1CCC(N2CCC(NC(=O)C[C@H]3NC(=O)NC3=O)CC2)CC1 1833765395 WENGUCAPRRKSGV-BXUZGUMPSA-N 458.357 -0.061 50 20 JBGD C[C@@H](Br)C(=O)N1CCC(N2CCC(NC(=O)C[C@@H]3NC(=O)NC3=O)CC2)CC1 1833765399 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C[C@@H](Nc1cccnc1)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835928408 OEYGGFJOFSQBGS-UZUQRXQVSA-N 468.319 -0.668 50 20 JBGD Cn1ncc(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)c1Cl 1835931139 HDCKOEZVXXCPKR-FQEVSTJZSA-N 462.699 -0.863 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)nc(Cl)c3)C2)C1 1837456331 GRJCXJFSWOPJLM-NRFANRHFSA-N 490.904 -0.177 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3F)C2)C1 1837457480 DRTJRDJJFNRORU-NRFANRHFSA-N 458.450 -0.397 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CCOC[C@]2(CN(C(=O)COCCO)CCO2)C1 1839195044 XLINQINQPMXIJC-NRFANRHFSA-N 481.458 -0.401 50 20 JBGD O=C1NCCn2nc(C(=O)N3CCOC[C@]4(C3)CN(C(=O)[C@H](F)Br)CCO4)cc21 1839197598 BSEKKKQJIOXSDE-GUYCJALGSA-N 474.287 -0.613 50 20 JBGD C[C@H](NC(=O)c1ccccn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1839665954 GYZPNQJYQALIKV-UVFQYZLESA-N 454.911 -0.744 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(N(C)C)cn3)C2)C1 1840183598 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BGSUSICDPXDIFH-QFIPXVFZSA-N 476.534 -0.482 50 20 JBGD CC(=O)N[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)C(C)(C)C 1784315662 XWOQNUBQJJPNCZ-LEAZDLGRSA-N 459.352 -0.490 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CCc4nc[nH]c4C3)C2)C1 1784352416 SKCSBDUXPUGOMB-FPTDNZKUSA-N 453.503 -0.343 50 20 JBGD Cc1nnc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CN(C)NC(=O)NCc2ccccc2)o1 1799095220 ZGPYYNAKXQIJOH-OPMZPASUSA-N 485.545 -0.144 50 20 JBGD CN(C)NC(=O)CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C2 1802344099 NXPMPRVBUYQPAC-FZKCQIBNSA-N 482.582 -0.234 50 20 JBGD CCOC(=O)N[C@@H](O)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(B(O)O)c2)CC1 1828759670 MWPVWWVDELLOBB-OALUTQOASA-N 461.324 -0.336 50 20 JBGD O=C(CCc1cccc([N+](=O)[O-])c1)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1832173885 WPTCGFRLYRNPDZ-DEOSSOPVSA-N 497.313 -0.023 50 20 JBGD NC(=O)c1ncccc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1833315234 PFGYBDCPEUGAEL-DYVFJYSZSA-N 459.272 -0.059 50 20 JBGD Cn1ccc(CC(=O)NC2CCN(C3CCN(C(=O)c4ccc(B(O)O)cc4)CC3)CC2)n1 1834846614 ARGYAKSVCVJNGG-UHFFFAOYSA-N 453.352 -0.472 50 20 JBGD CC[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCN(C(C)=O)CC3)CCO2)C1 1836769135 MTLMVWVGPUGBTD-PXNSSMCTSA-N 489.411 -0.220 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncccc3F)C2)C1 1837459420 OODWFGHKRGCWBY-NRFANRHFSA-N 458.450 -0.397 50 20 JBGD C[C@@H]1CCc2c(C(=O)N3CCOC[C@@]4(CN(C(=O)c5cnccc5C(=O)NN)CCO4)C3)n[nH]c21 1837459440 PAWYHZXOZCLVFF-QKFKETGDSA-N 483.529 -0.158 50 20 JBGD CCCC(=O)N[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C2)C1 1837673484 DBXICFHFTAKHFZ-MDKWLALESA-N 490.561 -0.118 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(F)cnc1Cl)CCO2 1837856108 USMCARADJZKIDK-OAQYLSRUSA-N 477.685 -0.062 50 20 JBGD O=C(OCCO)c1ccccc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1838567649 HYVOSKNNEXKZBU-LAUBAEHRSA-N 470.906 -0.495 50 20 JBGD Cn1c(=O)c2c(ncn2CC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)CO[Si](C)(C)C)n(C)c1=O 1848150903 SAMBWXSJZLYCJA-KBPBESRZSA-N 462.583 -0.513 50 20 JBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNS(=O)(=O)c2ccc(S(C)(=O)=O)cc2)c1 873988003 JZCZIJKDYBYMJB-UHFFFAOYSA-N 461.543 -0.036 50 20 JBGD CS(=O)(=O)N1CCC[C@@H](NC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)C1 920238931 NRLCRDDLFOVKNL-OAHLLOKOSA-N 473.577 -0.161 50 20 JBGD CCn1cnc2c1c(=O)n(CC(=O)NNC(=O)c1ccc(=O)n(C)c1)c(=O)n2Cc1ccccc1 920445258 VQIGJCADUWDZRL-UHFFFAOYSA-N 477.481 -0.412 50 20 JBGD Cc1ccc(C(=O)NCC(=O)N2CCO[C@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)cc1 1779035455 HUMBHACIDUYHCZ-XMMPIXPASA-N 480.525 -0.133 50 20 JBGD COC[C@@H](NC(C)=O)C(=O)N1CC[C@@]2(CN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)CCO2)C1 1779312368 GDLRNCLQNDKJRO-FFRRBZOQSA-N 462.507 -0.899 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)N1CCOCC1)C2 1793880180 SGUXMKNUADCBSA-ULQWZQFMSA-N 490.985 -0.641 50 20 JBGD O=C(NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1)c1cc2n(n1)CCNC2=O 1806080370 MYLJUSOEJDPJIP-UWJYYQICSA-N 488.313 -0.665 50 20 JBGD CS(=O)(=O)CCC(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807375201 QBLLHTDETPMAGH-YLJYHZDGSA-N 459.333 -0.484 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1CCN(C(=O)[C@H]2CCC(=O)NC2)[C@H]1c1cccnc1 1810294231 IXKMKXOYFWAZSY-FTRWYGJKSA-N 465.514 -0.074 50 20 JBGD COC[C@H](NC(C)=O)C(=O)N1CC[C@H](CNC(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1813072144 ASSWXFHSRZYINA-LQWHRVPQSA-N 462.551 -0.389 50 20 JBGD C[C@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1830537408 GWEXOPYVHIWBMU-KUHUBIRLSA-N 469.141 -0.533 50 20 JBGD CC(=O)N[C@H](Cc1cccc(F)c1)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](O)CCl)CCO2)C1 1830737121 AKDVYSOHNZVYEI-KNKQGSTJSA-N 485.940 -0.071 50 20 JBGD CC(C)N[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1)C(C)C 1835894460 LZDXZMNXARHMJH-NZQKXSOJSA-N 461.368 -0.541 50 20 JBGD N#Cc1ccccc1OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835934480 VIYMTDIFTMHRHO-DEOSSOPVSA-N 479.298 -0.613 50 20 JBGD O=C(c1c[nH]c2nccc-2c1)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835935464 FYGRARDMLVREEM-QHCPKHFHSA-N 464.287 -0.422 50 20 JBGD COc1cccnc1CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnccc1C(=O)NN)CCO2 1837457113 VUVXBSPZDUDKAC-DEOSSOPVSA-N 498.540 -0.209 50 20 JBGD COc1nc(C)ccc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1838174721 TWYWNUUFTMELSA-HSZRJFAPSA-N 469.303 -0.538 50 20 JBGD COc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)c1 1838927826 YIWQJDUTGOPZKQ-HSZRJFAPSA-N 454.288 -0.241 50 20 JBGD CN(C)S(=O)(=O)c1cccc(S(=O)(=O)NNC(=O)C2CCN(c3ncccn3)CC2)c1 728854295 PNQOTJFGBYKCMT-UHFFFAOYSA-N 468.561 -0.047 50 20 JBGD O=C(COCC(=O)NNC(=O)[C@H]1Cc2ccccc2O1)NNC(=O)[C@H]1Cc2ccccc2O1 729842612 IHHGCZYJKZKOJK-QZTJIDSGSA-N 454.439 -0.695 50 20 JBGD COCCn1cnc2c1c(=O)n(CC(=O)NNC(=O)Cc1cnn(C)c1)c(=O)n2Cc1ccccc1 751316085 SNQCXXJJOGPXBL-UHFFFAOYSA-N 494.512 -0.822 50 20 JBGD CC(=O)c1cccc(S(=O)(=O)NCC(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c1 913465310 WFDJQQHPTVAICV-UHFFFAOYSA-N 482.540 -0.121 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](O)Cc3ccccc3)C2)C1 1783341610 JAYDNAGONVEYFM-AUSIDOKSSA-N 453.499 -0.268 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCC(=O)N1 1795285123 NYFIXEUQWHHJJI-RGHULWKBSA-N 458.943 -0.013 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H](CNC(=O)[C@H]2CCCS2(=O)=O)[C@H]1c1cccnc1 1812496720 LPWUKVHSCNMMEM-ATZDWAIDSA-N 486.554 -0.023 50 20 JBGD C[C@H](NC(=O)c1cnccn1)C(=O)N[C@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815344061 DWWMBYSDCFKODY-WFASDCNBSA-N 494.342 -0.343 50 20 JBGD O=C(c1cc(O)nc(Cl)c1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835927392 NTFRIXPVDJNYBF-NRFANRHFSA-N 475.694 -0.496 50 20 JBGD C=CCCc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)c(O)n1 1835929500 RQUCYAVBCYGCGE-RUZDIDTESA-N 495.341 -0.031 50 20 JBGD Cc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)ccc1O 1835931952 IULXXRUNDFHIAB-HSZRJFAPSA-N 454.288 -0.236 50 20 JBGD CCS(=O)(=O)N[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1836845395 OFGOLMBLKYOZIE-MRXNPFEDSA-N 495.407 -0.694 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc3cnccc3[nH]1)CCO2 1837101205 GXSUGYRSJHVHMT-HSZRJFAPSA-N 464.287 -0.374 50 20 JBGD C[C@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)c3nccnc3C(N)=O)CCO2)C1 1838324670 YIZJEKQCCISEHX-KZULUSFZSA-N 470.324 -0.324 50 20 JBGD O=C(COc1ccc(O)nn1)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1839670158 TVSJBFPLFLCXAC-GOEBONIOSA-N 463.260 -0.292 50 20 JBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C2)C1 1840152862 WZTNLUASWQBDDI-GCVGFEQUSA-N 469.926 -0.169 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn(C)c3C(F)(F)F)C2)C1 1840183743 WXDUKMBJBKOHKS-LJQANCHMSA-N 490.483 -0.118 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn4ccccc34)C2)C1 1840184592 WLAMEOYULBMIRO-QFIPXVFZSA-N 458.519 -0.223 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCc3nc[nH]c3C1)CCO2 1840363336 TZIZINXAKVFQSH-CMJOXMDJSA-N 483.529 -0.717 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)[C@H]2CCc3nc(O)nc(O)c3C2)C1 1842057696 URCBOFPQJPJAHX-AWEZNQCLSA-N 452.276 -0.810 50 20 JBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)CCn1cnc2ccc(Br)cc2c1=O 729275517 OYYKZPDIEYXFKE-VIFPVBQESA-N 460.310 -0.366 50 20 JBGD CCCNC(=O)CN1CCC(NC(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)CC1 916518698 HQRDKFBARGNEJL-UHFFFAOYSA-N 482.607 -0.063 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@@]2(CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1 1782782193 MPIBOIVLZWGRSZ-VCOZGABYSA-N 499.484 -0.280 50 20 JBGD COC(=O)[C@H]1CC[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)CC1 1793605083 AOFJRYYMSZEGDB-NNVPEREYSA-N 458.320 -0.451 50 20 JBGD CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1 1796192107 JLKVATQHYODQPT-GSEOLPGOSA-N 453.308 -0.911 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc2ncccn12 1797028088 BHNONYKGAWKAJK-FVCICTRLSA-N 450.459 -0.755 50 20 JBGD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1)[C@H](O)N1CCOCC1 1819444651 ZDXPPGOIDJRKOO-UTKZUKDTSA-N 457.296 -0.954 50 20 JBGD O=C(N[C@@H]1CCc2nc(NC(=O)[C@H]3CCCS3(=O)=O)sc2C1)c1ccc(B(O)O)cc1 1824929074 VOEBLWBZOWKDBX-CZUORRHYSA-N 463.346 -0.374 50 20 JBGD NC[C@H](N)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCN2C(=O)OCc1ccccc1 1828551464 PNWRTXMLRWTXBY-CSODHUTKSA-N 467.954 -0.676 50 20 JBGD CNc1nsnc1C(=O)N1CCO[C@]2(COCCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C2)C1 1829753240 ZSEHPNWZKPLAHP-IYHCKTHZSA-N 490.546 -0.216 50 20 JBGD COc1nn(C)cc1C(=O)NC1CCN(C2CCN(C(=O)c3cnccc3C(=O)NN)CC2)CC1 1834082579 RLEWJKDFWIVTGF-UHFFFAOYSA-N 484.561 -0.074 50 20 JBGD COC[C@H](NC(C)=O)C(=O)NC1CCN(C2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1 1835845162 KEQSUMNMAATTHU-IBGZPJMESA-N 468.599 -0.918 50 20 JBGD Cc1cccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)n1 1835926662 XQWHJPBCBVEHLB-HSZRJFAPSA-N 453.304 -0.617 50 20 JBGD O=C(CCc1ccc(F)nc1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835927182 KLHPWCJFMQSFKV-QHCPKHFHSA-N 471.294 -0.397 50 20 JBGD COc1nc(C)ccc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835938145 NDMQXEAZFIFFFN-HSZRJFAPSA-N 469.303 -0.538 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)c3ccncc3Cl)C2)C1 1835938173 OLQBRDLRIXKQBK-NRFANRHFSA-N 459.695 -0.201 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4n(n3)CCC4)C2)C1 1837459089 ISMBDFFIRDBSGY-JOCHJYFZSA-N 469.502 -0.788 50 20 JBGD CCOC(=O)N[C@H](O)C(=O)N1CCC(OC2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1 1838357402 AZMQNKVHRGWLDB-LJQANCHMSA-N 471.555 -0.578 50 20 JBGD COc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)c(OC)c1 1838878818 MZTCCTNWCFOCBH-XMMPIXPASA-N 484.314 -0.233 50 20 JBGD CC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](Cc3cnc[nH]3)NC(C)=O)C2)C1 1839148985 PLMNKPPJVUNIFK-MBOZVWFJSA-N 455.943 -0.069 50 20 JBGD CN1CCN(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](F)Br)CCO3)CC1 1839199763 UAXAZRSDEXRTSK-WMZOPIPTSA-N 465.364 -0.229 50 20 JBGD Cc1ccn2c(C(=O)N3CCO[C@]4(COCCN(C(=O)c5ccc(B(O)O)cc5)C4)C3)cnc2c1 1839601303 QWIOZGLVFIUMAC-DEOSSOPVSA-N 478.314 -0.294 50 20 JBGD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1840880104 WNEGQUDJFQZQJB-XQEMQMARSA-N 456.879 -0.127 50 20 JBGD O=C(Cc1cn2c(nc1=O)SCC2)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843014431 IYVPAYFDROJGGQ-UHFFFAOYSA-N 454.317 -0.912 50 20 JBGD Cc1nnc(NNC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)[nH]c1=O 11334954 ITMXPDPKDZNQON-UHFFFAOYSA-N 450.477 -0.211 50 20 JBGD NS(=O)(=O)c1cc(C(=O)NNC(=O)CCn2nnc3ccccc3c2=O)ccc1Cl 761462738 KPTMXAWZDCUMEV-UHFFFAOYSA-N 450.864 -0.056 50 20 JBGD C[Si](C)(C)OCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1CSCN1C(=O)[C@@H]1CCC(=O)N1)CCO2 1779298151 AUVRVDFFRWGHQS-MRUHUIDDSA-N 498.678 -0.152 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc3c(c1)n(C)c(=O)n3C)CCO2 1783935112 PDANGOQISGWLSC-HSZRJFAPSA-N 472.546 -0.307 50 20 JBGD COC(=O)c1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)cn1 1786979950 SNLWJWDLNUMWRE-QRFRQXIXSA-N 467.287 -0.545 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ncn(-c2cccc(F)c2)n1 1794286782 HNHHTZWYBBGCEK-HBCWATKFSA-N 494.487 -0.078 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cn3cc(F)ccc3n1)C2)c1cccc(B(O)O)c1 1795739234 VBXXYJYCCLETMT-YVWYUNDQSA-N 452.251 -0.330 50 20 JBGD C[C@@H](O)[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1 1796189674 OCVDNEQAPOPAEG-JLMLEOCNSA-N 479.342 -0.202 50 20 JBGD CC(C)(C)OC(=O)N1C[C@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc(B(O)O)c2)[C@@H](O)C1 1796191678 NHKFTXLSGSKWFG-WPVAHCMFSA-N 487.362 -0.154 50 20 JBGD C[C@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1830544146 OJABKBMDAFRVCU-KDOFPFPSSA-N 463.373 -0.153 50 20 JBGD COc1ncc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)cc1C 1834581990 XEUPPXYBICZCOJ-QFIPXVFZSA-N 463.535 -0.158 50 20 JBGD C[C@@H]1CCc2c(C(=O)N3CCOC[C@@]4(CN(C(=O)c5ccc(B(O)O)cc5)CCO4)C3)n[nH]c21 1835930571 NMCXKKNPUJIHGD-IQMFZBJNSA-N 468.319 -0.477 50 20 JBGD O=C(c1ccc2ccnn2c1)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835939659 WTZYTMDKPCLDFN-QHCPKHFHSA-N 464.287 -0.602 50 20 JBGD CC(=O)N1CCN(CC(=O)N2CCC(OC3CCN(C(=O)[C@H](O)CCl)CC3)CC2)CC1 1836717127 JRMXSFSYKORMHL-LJQANCHMSA-N 458.987 -0.251 50 20 JBGD CCNC(=S)NCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839202795 PZYWCNKMJLCLSK-DOMZBBRYSA-N 455.350 -0.383 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc4nn[nH]c4c3)CCO2)C1 1839630330 SAXUXLSKEAUJSP-QFIPXVFZSA-N 480.485 -0.660 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1[C@@H]3C=CS[C@@H]13)CCO2 1839697444 VRDYAQGYESAQPL-OHKKWDFDSA-N 459.528 -0.370 50 20 JBGD CC(=O)N1CCN(CC(=O)N2CCCC23CN(C(=O)CN(C)NC(=O)NCc2ccccc2)C3)CC1 1843974385 UMBRYRFLUKRXCM-UHFFFAOYSA-N 499.616 -0.300 50 20 JBGD COc1cc(C(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)cc(OC)c1OCC(N)=O 15721168 PNMBVNMITKPCRO-UHFFFAOYSA-N 455.427 -0.110 50 20 JBGD COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)OCC(=O)N2CCNC(=O)C2)cc1 914016087 IDWDBTNOMIHRRL-YBEGLDIGSA-N 480.481 -0.157 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)c3cc4n(n3)CCCO4)CCO2)C1 1779032732 XDNIJTCCXUWWBJ-NRFANRHFSA-N 455.475 -0.579 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)[C@H]3CC[C@H]4CCC(=O)N4C3)C2)C1 1781054794 PXVCUIPDDBXINR-LTMIRXACSA-N 455.320 -0.789 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cncc(S(C)(=O)=O)c1)C2 1782209427 ONPQCMBMSOBHGW-XMSQKQJNSA-N 495.602 -0.014 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)C3CCC4(CC3)OCCO4)C2)C1 1782940264 CKRJJAWCHGIDTJ-QFIPXVFZSA-N 458.320 -0.257 50 20 JBGD O=C1CN(c2cccc(C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)c3ccc(B(O)O)cc3)C4)n2)CCCN1 1794840809 BXJBURBWJBTNHG-ACDBMABISA-N 491.357 -0.347 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3cccnc3nc1O)C2)c1ccc(B(O)O)cc1 1795736280 VOWQHJQIDBQVLM-HGKCTWBKSA-N 462.271 -0.468 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cn2cccnc2n1 1797390210 PNDIZGHABAUDOT-FVCICTRLSA-N 450.459 -0.755 50 20 JBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C/c1ccc(O)c(O)c1O 1802082461 MQOYATOOHYWDAC-KSFLNHNRSA-N 462.503 -0.221 50 20 JBGD CN1CCN(CCC(=O)NC[C@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)CC1 1806910480 DOZJPUPNWCRZTQ-ZJSXRUAMSA-N 479.390 -0.282 50 20 JBGD CS(=O)(=O)CCC(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1813573777 ISDIZWOYRBSIMS-YLJYHZDGSA-N 459.333 -0.484 50 20 JBGD O=C(CS(=O)(=O)N1CCCC1)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1818108538 JBJOBQITUVQIGQ-SFHVURJKSA-N 489.363 -0.179 50 20 JBGD N=C1NCCN1CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cnccc2C(=O)NN)CC1 1826876177 SPPBARIAYUSXAM-GOSISDBHSA-N 456.551 -0.242 50 20 JBGD Cc1cncc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)c1 1832955394 YEEMFQJWTCNGSA-XMMPIXPASA-N 467.331 -0.227 50 20 JBGD O=C1NCCn2nc(C(=O)N3CCO[C@]4(COCCN(C(=O)[C@H](F)Br)C4)C3)cc21 1834563725 JIHAFMUDESOBIU-SUMWQHHRSA-N 474.287 -0.613 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1)c1cnn2ncccc12 1835038469 SKBAIMZCIFCLRP-UHFFFAOYSA-N 476.346 -0.092 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CCOC[C@@]2(CN(C(=O)C(=O)N(C)C)CCO2)C1 1835433217 KGASGWVWPSKKJY-NRFANRHFSA-N 478.458 -0.322 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC1CCN(C2CCN(C(=O)CN3CCCCC3=O)CC2)CC1 1835738109 DTQBUGSXSUPRDI-UHFFFAOYSA-N 485.589 -0.117 50 20 JBGD CC[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(=O)n4[nH]cnc4n3)CCO2)C1 1835926449 XWWYNYJMYHHXAB-XIKOKIGWSA-N 483.323 -0.339 50 20 JBGD CN(C)c1cccc(OCC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)c1 1835927186 KMOMMLSZXKBTMY-VWLOTQADSA-N 497.357 -0.419 50 20 JBGD CCOc1ncccc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835933976 KILNDNTXOKIYCZ-HSZRJFAPSA-N 469.303 -0.456 50 20 JBGD Cn1ncc(C(=O)N2CCOC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)c1C(F)(F)F 1835935033 CLLVZEOHJVLSMW-FQEVSTJZSA-N 496.251 -0.498 50 20 JBGD O=C1COc2ccc(C(=O)N3CCOC[C@]4(C3)CN(C(=O)c3cccc(B(O)O)c3)CCO4)cc2N1 1835936860 GZORHQFKHVNGRN-DEOSSOPVSA-N 495.297 -0.919 50 20 JBGD Cc1nc2ccccn2c1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835937145 QHCXLOLKWQNVFN-XMMPIXPASA-N 478.314 -0.294 50 20 JBGD CS(=O)(=O)Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)cn1 1836378368 JUTUMDDLNXSONH-VQIMIIECSA-N 475.951 -0.704 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccn3ccnc3c1)CCO2 1836988717 KBMWVTUXVGINIQ-JOCHJYFZSA-N 458.519 -0.223 50 20 JBGD C[C@H](Oc1cccnc1)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837460720 JTQIPDJZXFQDAB-HJPURHCSSA-N 484.513 -0.382 50 20 JBGD C=CC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C2)C1 1837697295 LWNSYZPRIWVFNN-BWSRREPNSA-N 474.518 -0.733 50 20 JBGD CC(C)(C)c1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)[nH]n1 1837989078 ZNJRYDVQHOUNOY-HSZRJFAPSA-N 470.335 -0.229 50 20 JBGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(CS(C)(=O)=O)nc3)C2)C1 1840151648 JOMPGDJZUHHYRN-YLJYHZDGSA-N 489.978 -0.050 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3[nH]nc4ncccc34)C2)C1 1840184000 NAPUREPCSFCYDW-NRFANRHFSA-N 459.507 -0.599 50 20 JBGD O=C(CCCn1ccnc1)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1840382761 XAAQOFGVTYTZCX-QFIPXVFZSA-N 456.308 -0.887 50 20 JBGD Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NNC(=O)Cc1nc2ccccc2n1C 16229728 IOEMXQWGWIGGHH-UHFFFAOYSA-N 460.516 -0.064 50 20 JBGD CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NNC(=O)[C@H]1Cc2ccccc2O1 748280670 UKJSQMBTOJBZCP-SJLPKXTDSA-N 481.552 -0.081 50 20 JBGD CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)NNC(=O)CCN2C[C@H](C)O[C@H](C)C2)cc1 912919872 RZXXLZVFTPMZDI-GASCZTMLSA-N 470.548 -0.212 50 20 JBGD COc1ccccc1OCC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 914458419 TYQMDOSAJHLOOF-UHFFFAOYSA-N 462.484 -0.344 50 20 JBGD C[C@@H](CN1CCOCC1)NC(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 916470770 RIDMHNBSCRDDHZ-KRWDZBQOSA-N 483.591 -0.309 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@@]2(CCN(C(=O)/C=C\C(=O)NC3CC3)C2)C1 1778831859 YYTFTEHLVDADJZ-GDRAKFJSSA-N 456.503 -0.215 50 20 JBGD CC(C)(C)OC(=O)N1CCN(CC(=O)N2CC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)C(=O)C1 1785667131 NRTDAHXMIPLWRS-VFNWGFHPSA-N 488.969 -0.505 50 20 JBGD Cc1nc2ncccn2c1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1787981162 BYIDWBBKMRTISI-WDSOQIARSA-N 463.303 -0.375 50 20 JBGD COC(=O)[C@@H]1CC=CC[C@H]1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1791236696 XXCYVTNRWWNDKT-MYGYKHERSA-N 470.331 -0.285 50 20 JBGD CC(C)(C)OC(=O)NCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1792120630 AJJIPLKBNXNSMN-WDSOQIARSA-N 475.351 -0.126 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795737345 UBRFNNWGRJBLNE-MVJTYMMSSA-N 495.769 -0.298 50 20 JBGD Cc1cc(C(=O)NCC(=O)N2CC[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)no1 1807359800 DUQAQSVROSDVBL-PGRDOPGGSA-N 491.313 -0.193 50 20 JBGD CCNC(=O)N[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807362267 VCSKWUOAJISQNW-ZTNFWEORSA-N 467.335 -0.211 50 20 JBGD O=C(NC[C@@H]1CCN(C(=O)Cn2ccccc2=O)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807371097 PLSFWSHXFNOGJN-WMZHIEFXSA-N 460.299 -0.057 50 20 JBGD O=C(NC[C@@H]1CCN(C(=O)c2cnc(O)nc2O)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807374252 GFSAMSYBUQNVNV-YJBOKZPZSA-N 463.259 -0.404 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H](CNC(=O)Cn2cnnn2)[C@H]1c1cccnc1 1807607453 FKMVSABJNAHKFY-JMBUVSEHSA-N 464.490 -0.092 50 20 JBGD CC(=O)NCCC(=O)N1CC[C@H](CNC(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1810305879 PGNJEECGISFLKX-OXQOHEQNSA-N 453.503 -0.074 50 20 JBGD NCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCN2C(=O)OCc1ccccc1 1829000252 FOKNQOWTQKXZMM-XMMPIXPASA-N 480.330 -0.609 50 20 JBGD C[C@H](O)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCN2C(=O)OCc2ccccc2)C1 1829000405 HPFMFMFIMAZJPN-BVZFJXPGSA-N 495.341 -0.187 50 20 JBGD COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)cc1O 1830245098 LTMPQQODHPRFTM-XMMPIXPASA-N 484.314 -0.607 50 20 JBGD C[C@@H](Cn1cccn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1833199339 PBQCZFKXMSENCZ-AOMKIAJQSA-N 471.518 -0.712 50 20 JBGD Cc1cnc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)s1 1833802166 COJWQUOJZZPRFA-FQEVSTJZSA-N 460.516 -0.166 50 20 JBGD C[C@H](C(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1)n1ccccc1=O 1834798455 YDJXEAVZULPNEG-GOSISDBHSA-N 480.374 -0.026 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC1CCN(C2CCN(C(=O)CCn3ccnn3)CC2)CC1 1835737337 JOSQNQCTENQAKD-UHFFFAOYSA-N 469.550 -0.448 50 20 JBGD Cc1nc(N)sc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835935468 GNJONFBTWQKJPI-HXUWFJFHSA-N 460.321 -0.903 50 20 JBGD C[Si](C)(C)OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835938219 QUBXSFKQTXWISB-FQEVSTJZSA-N 450.373 -0.712 50 20 JBGD O=C(CCBr)N1CCOC[C@@]2(C1)CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)CCO2 1839717972 ZDWGINYVTZJZLE-GOSISDBHSA-N 487.307 -0.002 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1C[C@]1(F)Cl)CCO2 1840245921 CCGAPULGVURVIK-ZOCIIQOWSA-N 455.874 -0.320 50 20 JBGD CC(C)Cn1cnc2c1c(=O)n(CC(=O)NNC(=O)c1nccnc1N)c(=O)n2Cc1ccccc1 10126660 MSWYCQUSPWORHT-UHFFFAOYSA-N 491.512 -0.103 50 20 JBGD COc1cc(C(=O)NNC(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)cc(OC)c1OC 746308339 GVXAZXIGZRVJIX-HNNXBMFYSA-N 450.492 -0.346 50 20 JBGD Cn1nc(C(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)c2ccccc2c1=O 914459813 OGBXSHOAZLUVIX-UHFFFAOYSA-N 484.494 -0.871 50 20 JBGD COc1ccc([C@H](O)C(=O)N2CCO[C@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)cc1 1779029173 MJEWMEQPMFKPJQ-CVDCTZTESA-N 469.498 -0.129 50 20 JBGD CC(C)c1nc(CC(=O)N2CCO[C@@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)no1 1779029446 XSFLHEGVRGPMRB-NRFANRHFSA-N 457.491 -0.122 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)c3cnc4snnc4c3)CCO2)C1 1779032659 PXAHDQIDTMCRMK-HXUWFJFHSA-N 468.499 -0.158 50 20 JBGD CC[C@@H](NC(N)=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnccc2C(=O)NN)C1 1779373464 UMPXQXISFCWUCT-WHSLLNHNSA-N 461.523 -0.741 50 20 JBGD CC(C)(C)OC(=O)N[C@H](CCO)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21 1784195561 YNRIOQQMCAROOZ-RBZJEDDUSA-N 463.959 -0.159 50 20 JBGD Cn1ccc2c(O)ncc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)c5cccc(B(O)O)c5)[C@H]4C3)c21 1786984904 WZZYKCTZUQARNS-YSSFQJQWSA-N 478.314 -0.134 50 20 JBGD Cn1cccc1C(=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21 1791694023 XDYPYZCXJVBRDS-OWQGQXMQSA-N 454.487 -0.500 50 20 JBGD CCS(=O)(=O)CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN(C)NC(=O)NCc1ccccc1 1799095344 OCIPFIYUWBKDPT-RMFSNUHRSA-N 495.602 -0.643 50 20 JBGD O=C(CN1CCS(=O)(=O)CC1)NC[C@@H]1CCN(C(=O)[C@H](O)CCl)[C@H]1c1cccnc1 1804193123 UIVMHKJSMOYHEF-JZXOWHBKSA-N 458.968 -0.583 50 20 JBGD CC(=O)N(C)[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1808429769 UBKKQXJNBJZNSB-JJXUHFIVSA-N 452.320 -0.052 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCCC2(CCN(C(=O)c3n[nH]c4c3CS(=O)(=O)C4)CC2)C1 1809966537 ANEMGHBAKCLYNS-UHFFFAOYSA-N 486.359 -0.324 50 20 JBGD Cc1cn(CC(=O)N2CCC(N3CCC(NC(=O)[C@@H](O)CCl)CC3)CC2)c(=O)nc1O 1833313664 OWLDLXGLNWMNIY-INIZCTEOSA-N 455.943 -0.571 50 20 JBGD C[C@](O)(C(=O)NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1)C(F)(F)F 1833640945 UQFWUJWVUZHEPR-FQEVSTJZSA-N 471.285 -0.135 50 20 JBGD CN(CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cncn1C)CCO2)NC(=O)NCc1ccccc1 1834328610 MDTJYPRADVHIRL-DEOSSOPVSA-N 499.572 -0.164 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)[C@H](F)Br)CC2)CC1)c1cc(=O)n2[nH]nnc2n1 1834973226 HIIPLSLMNLOIAH-AWEZNQCLSA-N 485.318 -0.312 50 20 JBGD O=C(CCN1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1835132334 UMDKMZGLHCVRDR-QHCPKHFHSA-N 459.352 -0.688 50 20 JBGD C[C@H](C(=O)N1CCC(N2CCC(NC(=O)c3cnccc3C(=O)NN)CC2)CC1)n1ccnn1 1835738226 NEOYCBLJZUTKGV-OAHLLOKOSA-N 469.550 -0.277 50 20 JBGD CN1CCC[C@H](C(=O)NC2CCN(C3CCN(C(=O)c4cccc(B(O)O)c4)CC3)CC2)C1 1836349135 DRHVILXEOILMHG-IBGZPJMESA-N 456.396 -0.107 50 20 JBGD O=C(CN1CCOC1=O)N1CCC(OC2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1836786217 DGAPHBWMZAATQC-UHFFFAOYSA-N 459.308 -0.569 50 20 JBGD C[C@@](Cl)(CCl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837459786 NEAPEKXQLVOSIQ-MOPGFXCFSA-N 474.345 -0.009 50 20 JBGD CCCNC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCC(=O)NN(C)C)CCO2 1840182741 RTRDADWCXCZZDG-OAQYLSRUSA-N 455.556 -0.878 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CC2(CCCN2C(=O)CN2C(=O)CNC2=O)C1 1841846935 LPGPXIKCJAGGLV-LBPRGKRZSA-N 457.915 -0.126 50 20 JBGD COC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)c1cccc(B(O)O)c1)C2 1843384729 VRROSDWZRLBLMH-KRWDZBQOSA-N 461.324 -0.277 50 20 JBGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 16177534 PBDZXYIUWYJRLF-UHFFFAOYSA-N 452.518 -0.453 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2 1779372615 OJHBINDGCOHZON-FOIQADDNSA-N 472.462 -0.242 50 20 JBGD CC(=O)N[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1)C(C)(C)C 1786978600 BXSVIPDXTJFMKX-FRYIKTPZSA-N 459.352 -0.490 50 20 JBGD CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786980231 XZJYUWYPMDWBTP-FFGOWVMKSA-N 487.362 -0.031 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cn4ncccc4n3)[C@H]2C1 1788015147 XYFNDUFKZWITEE-OWQGQXMQSA-N 464.486 -0.365 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccn4c(O)nnc34)C[C@@H]21 1788610372 NZFZSHHIOCIWSZ-ZLIFDBKOSA-N 480.485 -0.660 50 20 JBGD O=C1CN(c2cccc(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)c3cccc(B(O)O)c3)n2)CCCN1 1796190779 LGSUDENBXNGKTQ-ACDBMABISA-N 491.357 -0.347 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)N1CCN(C)CC1)C2 1796443818 LSVWHZCQIPBTHN-WLYJJTDJSA-N 473.578 -0.654 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1n[nH]c2c(F)cccc12 1797487178 ZDXKBTWLWDSELX-ZSBFGKGUSA-N 452.251 -0.101 50 20 JBGD Cn1nc2c(c1C(=O)N1C[C@@H]3COC[C@H](C1)[C@@H]3NC(=O)c1cnccc1C(=O)NN)CCC2 1797754101 VNUNBDRHILCSIZ-IVWMJMPLSA-N 453.503 -0.576 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1cc(-c2ccncc2)[nH]n1 1798147078 HCWMQTGPKBOQCG-UPHUGPLXSA-N 461.287 -0.332 50 20 JBGD C[C@@H](NC(=O)c1ccc(F)cc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2 1799050805 XIDHZTODNPEVCJ-RACNMONISA-N 477.537 -0.093 50 20 JBGD CC(=O)N[C@@H](Cc1cccc(F)c1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C 1801014087 DNBQGAFELLZUOF-KQZHTCIUSA-N 491.564 -0.165 50 20 JBGD CC(=O)N(C)CCC(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1804068364 YHSWHDXSVIFPNJ-SIKLNZKXSA-N 452.320 -0.051 50 20 JBGD CN1CCN(CC(=O)N2CC[C@H](CNC(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)CC1 1807376671 VULHRGLIDAYFNK-OFNKIYASSA-N 465.363 -0.672 50 20 JBGD CC[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1)N(CC)CC 1831663611 LDIHUTCIONVISY-NZQKXSOJSA-N 461.368 -0.443 50 20 JBGD COC(=O)[C@H]1CC[C@H](C(=O)N2CCO[C@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)CC1 1832013398 MIFCVXPPDDDDMV-BSRJHKFKSA-N 482.578 -0.205 50 20 JBGD CC(C)N[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1)C(C)C 1835901888 XTVZSLGNMBHTCG-UNMCSNQZSA-N 455.600 -0.162 50 20 JBGD Cn1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)c2cccnc21 1837186531 NIRNCVISFAKQHG-DEOSSOPVSA-N 478.314 -0.363 50 20 JBGD N=C(N)SCC(=O)N1CCC(OC2CCN(C(=O)c3cnccc3C(=O)NN)CC2)CC1 1837828384 LOIOSTOXYLCCBU-UHFFFAOYSA-N 463.564 -0.076 50 20 JBGD Cc1nnc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)CCC(=O)NN(C)C)CCO3)s1 1840182774 UCGUFHCIAATNPO-FQEVSTJZSA-N 468.580 -0.391 50 20 JBGD CC(C)(C)OC(=O)N1CCN(CC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)[C@H](O)CCl)C(=O)C1 1847569077 ZUUHYNHOQPQEIO-SOUVJXGZSA-N 458.943 -0.133 50 20 JBGD CSCC[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 728372594 OZBGWAOSFGNOAP-WCQYABFASA-N 467.566 -0.192 50 20 JBGD CCCNC(=O)NNC(=O)Cn1c(=O)c2c(ncn2CCOC)n(Cc2ccccc2)c1=O 754574139 FMCGWDUWQHTPEY-UHFFFAOYSA-N 457.491 -0.205 50 20 JBGD Cn1c(=O)c(C(=O)N2CC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)nc2ccccc21 1777888871 YXUDWNLZTQKPHR-DEOSSOPVSA-N 476.298 -0.629 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CNC(=O)c1ccco1)C2 1779373155 IPVKBIFGCJWFCC-WZONZLPQSA-N 484.513 -0.164 50 20 JBGD COC(=O)[C@@H]1CC[C@@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)C1 1786983293 LUZCGWNFZKRHTR-JOMPHRNESA-N 458.320 -0.451 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1cccc(N2CCOCC2)n1 1787656440 INYDBLFZPUWSNM-VCOUNFBDSA-N 494.357 -0.495 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(=O)n4[nH]cnc4n3)C[C@@H]21)[C@H](F)Br 1789922883 STDTWLNRKVHGAU-PZEZNAACSA-N 457.260 -0.299 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](CCN)NC(=O)OC(C)(C)C)C[C@@H]21 1791289078 IKEDSCGVHVGPLF-FJIDUMEYSA-N 498.625 -0.419 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1 1796189608 HNYDHNNBWDGKJY-RDGPPVDQSA-N 475.351 -0.106 50 20 JBGD COC(=O)NCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN(C)NC(=O)NCc1ccccc1 1799099510 ZLCFGNIPLQWQHP-XEMDLRDOSA-N 476.534 -0.722 50 20 JBGD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1cc3n(n1)CCCNC3=O)CC2)c1ccc(B(O)O)cc1 1815344394 XHWWUHSGSZACNJ-AWEZNQCLSA-N 494.342 -0.308 50 20 JBGD NC(=O)NCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCN2C(=O)OCc1ccccc1 1828551813 UZQGNIHZNVWWLC-IIBYNOLFSA-N 481.937 -0.294 50 20 JBGD O=C([C@H](O)CCl)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CC(=O)N(C4CCCC4)C3)C2)C1 1830726860 UTQOQOMNWQOZDY-LUQKVYGDSA-N 457.955 -0.166 50 20 JBGD CC(C)(C)OC(=O)N1CCO[C@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)C1 1830881505 YIFRUSZYULAGIV-CKJXQJPGSA-N 491.969 -0.322 50 20 JBGD CCC(=O)N[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1833421538 LQFUUVCWQMGKIB-MRXNPFEDSA-N 458.368 -0.534 50 20 JBGD CC[C@H](NC(N)=O)C(=O)NC1CCN(C2CCN(C(=O)c3cnccc3C(=O)NN)CC2)CC1 1835055974 GTVSMBXSFZBTPQ-SFHVURJKSA-N 474.566 -0.683 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1)c1cnc(O)nc1O 1835069186 REUBEENOEUVSQH-UHFFFAOYSA-N 469.307 -0.933 50 20 JBGD O=C(C1=NO[C@H](c2ccccc2)C1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835930586 OAHJJCOVVXLLQL-DHLKQENFSA-N 493.325 -0.046 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)c3c(F)ccc(O)c3F)C2)C1 1835932305 YMHCLXZTODHVME-QFIPXVFZSA-N 476.241 -0.266 50 20 JBGD O=C(COc1ccc(O)cc1)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835934098 NJXFJVMTWPNDAS-QHCPKHFHSA-N 470.287 -0.779 50 20 JBGD O=C(CCc1cccc([N+](=O)[O-])c1)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835934437 ZRUFCHKCQGEWSH-DEOSSOPVSA-N 497.313 -0.023 50 20 JBGD CN1CCC[C@@H](C(=O)N2CCOC[C@@]3(CN(C(=O)c4cnccc4C(=O)NN)CCO3)C2)C1 1837459346 DEAKVXKHCWBUGW-ZHRRBRCNSA-N 460.535 -0.903 50 20 JBGD COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)c1 1838581866 SWKCXMYGHLRWSO-DEOSSOPVSA-N 479.298 -0.370 50 20 JBGD CCNC(=S)NCC(=O)N1CCC(OC2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1 1838722634 RQJHHTZPTLZCDV-UHFFFAOYSA-N 470.640 -0.158 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1[C@H]3C=CS[C@@H]31)CCO2 1839697443 VRDYAQGYESAQPL-FKRHRZSBSA-N 459.528 -0.370 50 20 JBGD C[C@@]1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)CC1(F)F 1840826973 DSKQYVFMWZKJAR-OALUTQOASA-N 453.446 -0.200 50 20 JBGD COC(=O)c1ccc(OCC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)cc1 1840957765 SIIRTMAADLVHPX-DYESRHJHSA-N 470.906 -0.092 50 20 JBGD CS(=O)(=O)Cc1ncccc1C(=O)N1CCCC12CN(C(=O)c1ccc(B(O)O)cc1)C2 1842240415 HUKHDLJPBBRIPP-UHFFFAOYSA-N 457.317 -0.563 50 20 JBGD CCS(=O)(=O)N[C@@H](C)C(=O)N1CC2(CCCN2C(=O)/C(C)=N/NC(=O)c2ccc[nH]2)C1 1843415332 MLKAHDWDYPAXLT-HADWXUJASA-N 452.537 -0.348 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)[C@@H]3ON=C(c4ccccc4)O3)C2)C1 1778870530 VSOJBVFBNWEULE-XZOQPEGZSA-N 465.271 -0.455 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3[nH]nc4ccncc34)C[C@@H]21 1788610165 GZQHFFCRPMXYJX-IWEFOYFVSA-N 464.486 -0.137 50 20 JBGD O=C1CC[C@@H](C(=O)N2CSC[C@@H]2C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H](O)CCl)N1 1793112750 SOITYLAMGIUXLM-HGPDSQILSA-N 458.968 -0.596 50 20 JBGD Cc1cn2c(=O)c(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)c3cccc(B(O)O)c3)cnc2s1 1795738815 GYJTYEKKBJKNES-JLVBRIDZSA-N 482.327 -0.739 50 20 JBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1)c1nc2c(=O)[nH]c3ccccc3n2n1 1796188971 HPDINRAAYKETGI-BJWYYQGGSA-N 486.297 -0.184 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)[C@H]1SC(=N)NC1=O)C2 1796440450 MHJMZAJTVQXKEX-HKASJDOOSA-N 489.558 -0.488 50 20 JBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 1801050800 XJXUNKBJHWERKY-QIEVIBBNSA-N 497.593 -0.679 50 20 JBGD C[C@@H](Oc1ccccn1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1801366869 XKZIJPUSJHLLIM-BKEDOTJMSA-N 454.487 -0.249 50 20 JBGD CC(C)(C)OC(=O)N1CCN(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](O)CCl)C3)CC1 1801964550 FAYPLFOSUDDSHM-DFGXFYAUSA-N 474.986 -0.272 50 20 JBGD CN(C)C(=O)NCC(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807366973 WJMXJRDTEKTQGT-XLIONFOSSA-N 453.308 -0.648 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1CCN(C(=O)[C@H]2CNC(=O)C2)[C@@H]1c1cccnc1 1810304578 FJKZJOOZASXZRH-QMTMVMCOSA-N 451.487 -0.464 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)CN2CC(=O)NC2=O)CC1 1824969978 HMHCRHGFJWXQKM-KRWDZBQOSA-N 471.518 -0.530 50 20 JBGD O=C(Cc1cnccn1)NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1833370757 JPBYUXNEUJXXNK-UHFFFAOYSA-N 451.336 -0.416 50 20 JBGD C[C@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)CNCP(=O)(O)O)CCO2)C1 1835537466 KIQNVTOEIPEMGE-IUODEOHRSA-N 472.273 -0.801 50 20 JBGD CCC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(=O)n4[nH]cnc4n3)CCO2)C1 1835921111 SYSFUTUMAZPUTN-DJJJIMSYSA-N 452.899 -0.105 50 20 JBGD CCOc1ncccc1C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835925958 DFUUCFSHUJQCIB-QHCPKHFHSA-N 469.303 -0.456 50 20 JBGD CO[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1)c1ccccc1 1835929180 FLZOMNSIJHPDFX-ZJSXRUAMSA-N 468.315 -0.176 50 20 JBGD CN1CCC(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)CC1 1835933747 CALNREQUUOXWPB-QHCPKHFHSA-N 459.352 -0.832 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc3cn[nH]c3cn1)CCO2 1837200788 RMRXGKSWULDGGF-OAQYLSRUSA-N 459.507 -0.599 50 20 JBGD C[C@](Cl)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CC(=O)NC3=O)C2)C1 1839150530 OSGJTHCBDXCCIL-IRXDYDNUSA-N 451.307 -0.769 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(Cl)nn3)C2)C1 1840185300 JUCLBFCMWWKNRG-LJQANCHMSA-N 454.915 -0.427 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc4ccc(F)cn34)C2)C1 1840185376 PDWFQQMDZDYNTK-QFIPXVFZSA-N 476.509 -0.084 50 20 JBGD CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 728512552 ZNPYWXOKELDCOO-GOSISDBHSA-N 479.559 -0.251 50 20 JBGD CN(CCCNC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)S(C)(=O)=O 916580401 WBHTXPZRYRCYIA-UHFFFAOYSA-N 461.566 -0.303 50 20 JBGD O=C(CN1CCS(=O)(=O)CC1)NNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12 918142341 INOLFIBDYGVUMY-UHFFFAOYSA-N 469.523 -0.064 50 20 JBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2)c1cc(O)nc(O)c1 1777848097 JNGSGKWZRXJVRX-VGOFRKELSA-N 455.276 -0.386 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](CCO)NC(=O)OC(C)(C)C)CCO2 1783933406 XYLQDEMOHOTHEE-KSFYIVLOSA-N 485.582 -0.535 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783934796 MIVCIKLRBVOIQB-CPOKCXMASA-N 461.523 -0.677 50 20 JBGD C[C@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCS(=O)(=O)CC3)C[C@@H]21 1791055310 SXCIVFQRUNCOJZ-AJNGGQMLSA-N 466.398 -0.520 50 20 JBGD C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1792758974 FZKXZKCXWCWFSQ-SCNOPHJPSA-N 461.324 -0.517 50 20 JBGD COCCOCCOCCOCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1 1796192280 VOIYMBGTAVGWAX-WKCHPHFGSA-N 478.351 -0.686 50 20 JBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@@H](N)c1cccnc1)C2 1797750479 HGCGOYRQVISZDB-BAAGSCJXSA-N 453.503 -0.627 50 20 JBGD CC[C@H](NC(C)=O)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1802544215 JSKZHYKYLQEQPU-JBACZVJFSA-N 452.320 -0.004 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)CN2CCS(=O)(=O)CC2)[C@@H]1c1cccnc1 1804195636 GERRDCIEPMXOLB-GCJKJVERSA-N 494.618 -0.809 50 20 JBGD COC(=O)[C@@H]1CC[C@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)C1 1830708936 QQPGRHFXBCBGIP-YZZKKUAISA-N 474.319 -0.974 50 20 JBGD C[C@](Cl)(CCl)C(=O)N1CCOC[C@]2(CN(C(=O)C[C@H]3NC(=O)NC3=O)CCO2)C1 1832696616 FECZKVDVYDHSML-NVGVWMPQSA-N 451.307 -0.723 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(O)n1)CCO2 1834190864 RWGVIAFJQIJNLE-BHSKHCGUSA-N 470.486 -0.009 50 20 JBGD O=C(Cc1c(F)cccc1F)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835931295 LVSFERPBKXMDKD-HSZRJFAPSA-N 474.269 -0.043 50 20 JBGD CCCc1onc(C)c1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835937381 SJAIHQIBLUGFHE-HSZRJFAPSA-N 471.319 -0.001 50 20 JBGD Cc1cccc(C)c1NC(=O)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835939275 JRDHRJNXDGLWDX-VWLOTQADSA-N 495.341 -0.308 50 20 JBGD O=C(Cc1ccc(F)cn1)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1836032449 PORCVBWEHAROKT-JOCHJYFZSA-N 457.267 -0.787 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1)c1ccc(O)nc1 1836142641 KESBNPSAXOGXPI-UHFFFAOYSA-N 452.320 -0.034 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4c3CCCC4)C2)C1 1837457644 MCYFCEONSXZISN-QHCPKHFHSA-N 483.529 -0.329 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc4c3NC(=O)C4)C2)C1 1837459240 ACSIBRFFYPRWKW-DEOSSOPVSA-N 494.508 -0.437 50 20 JBGD CC[C@@H](NC(N)=O)C(=O)N1CCC(OC2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1837920357 OZNAHEJFKJMBLZ-LJQANCHMSA-N 460.340 -0.575 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(-c3ccccn3)[nH]n1)CCO2 1838050540 PNDBREJJSCHKFL-XMMPIXPASA-N 491.313 -0.465 50 20 JBGD COc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)c1 1838927827 YIWQJDUTGOPZKQ-QHCPKHFHSA-N 454.288 -0.241 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(O)cc3F)CCO2)C1 1839316723 OMSYNDKDPOKJBX-QFIPXVFZSA-N 473.461 -0.086 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)CCO2 1839413690 OFQHJTWITSUOKA-JOCHJYFZSA-N 485.258 -0.636 50 20 JBGD CC[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1839966960 VCBVHILDGILSPY-RDTXWAMCSA-N 463.373 -0.011 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3ON=C(c4ccccc4)O3)C2)C1 1840184446 NBOUUWVVZJKWOZ-GOTSBHOMSA-N 489.529 -0.450 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)n1cncn1)CCO2 1840418398 XWAVLIYIHHBAGU-YZNFGPHHSA-N 472.506 -0.571 50 20 JBGD COCCN1C(=O)c2ccc(C(=O)NNC(=O)CNC(=O)c3cccs3)cc2S1(=O)=O 751206876 WCYPWPPFMDYHRG-UHFFFAOYSA-N 466.497 -0.270 50 20 JBGD O=C(COC(=O)CN1C(=O)NC2(CCCCC2)C1=O)NNC(=O)[C@H]1COc2ccccc2O1 794173992 FGDAXONQQOXJCF-OAHLLOKOSA-N 460.443 -0.228 50 20 JBGD COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NNC(=O)CN2CCS(=O)(=O)CC2)c1 916142334 VPXPTULPRQAWLK-UHFFFAOYSA-N 496.567 -0.013 50 20 JBGD C[C@H]1CN(CCC(=O)NNC(=O)CNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)C[C@@H](C)O1 916557669 MRCRJXVSGOZNRL-GASCZTMLSA-N 469.564 -0.687 50 20 JBGD Cc1nc2ccccn2c1C(=O)NNC(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 918775956 GIYWQLQGUQEZRE-GJZGRUSLSA-N 479.563 -0.031 50 20 JBGD COc1cc2c(cc1OC)[C@H](CC(=O)NNS(=O)(=O)c1cn[nH]c1)N(S(C)(=O)=O)CC2 919956005 RECXFSHXSWSCGW-AWEZNQCLSA-N 473.533 -0.315 50 20 JBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)Cn2nc3n(c2=O)CCCCC3)cc1 1317807925 VXQUYIXYSXKEJO-UHFFFAOYSA-N 450.521 -0.452 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc4nn[nH]c4c3)C2)C1 1782581447 HTRZNUBMWORVRU-NRFANRHFSA-N 450.459 -0.286 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(=O)n4[nH]cnc4n3)[C@H]2C1 1786976599 XHJLELMPGFPAIL-PVBUHRSCSA-N 495.500 -0.855 50 20 JBGD C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](CCl)NC(=O)OC(C)(C)C)n1cnnn1 1793882322 HXCQWSIUJVTPFX-NIFZNCRKSA-N 471.946 -0.044 50 20 JBGD COc1cnc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C(C)=N/NC(=O)c2ccc[nH]2)C3)cn1 1794950244 IEEWXLHGWJFUTF-FXOZFUDCSA-N 455.475 -0.178 50 20 JBGD C/C(=C/C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN(C)NC(=O)NCc1ccccc1)C(=O)O 1799099341 UTGBYUWMQXZFNF-YFGZCDDESA-N 473.530 -0.047 50 20 JBGD CC(C)(C)OC(=O)NCCOCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1799256178 KIYALCYQBNNLNK-XEMDLRDOSA-N 491.350 -0.889 50 20 JBGD CN(C)C(=O)NCC(=O)NC[C@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1802680898 PROZXIAJYFFZCO-BEFAXECRSA-N 468.518 -0.329 50 20 JBGD COC(=O)CSCC(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1803576414 XBBPACZEFXEFGM-UWJYYQICSA-N 471.344 -0.013 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@H](CNC(=O)CN2CCOCC2)[C@H]1c1cccnc1 1806904674 DGOAAPCPGVQEFE-LAUBAEHRSA-N 467.530 -0.268 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCC2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)CC1 1809978871 WOLFQSJASHSOAC-UHFFFAOYSA-N 465.319 -0.477 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)c1cnoc1C1CC1)CCO2 1834612732 QWQUCBWAPRGQQR-QFIPXVFZSA-N 455.276 -0.384 50 20 JBGD CN1CCC(C(=O)N2CCC(N3CCC(NC(=O)c4cccc(B(O)O)c4)CC3)CC2)CC1 1834800680 XRWCDYAGENAGLH-UHFFFAOYSA-N 456.396 -0.107 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnn3cccnc13)CCO2 1836847227 SXHOXASZDRJYBL-PVPASAESSA-N 494.512 -0.067 50 20 JBGD Cc1nc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)cs1 1837457018 SLKYCFZRRIRLFZ-NRFANRHFSA-N 474.543 -0.237 50 20 JBGD N[C@@H](Cc1cccnc1)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1837919454 TYUVLERXHOIAQE-QHCPKHFHSA-N 480.374 -0.056 50 20 JBGD C[C@](Cl)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCN3C(=O)C=CC3=O)C2)C1 1839150798 XTKIGQQXLKEPHK-RBUKOAKNSA-N 462.330 -0.006 50 20 JBGD COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1840143981 KETBHLNPRGHRCV-YZZKKUAISA-N 480.562 -0.429 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCCSC1)CCO2 1840864628 MYACAXMVWNIBRX-QVKFZJNVSA-N 463.560 -0.102 50 20 JBGD COc1ccccc1C(=O)N1CC(C(=O)N2CCCC23CN(C(=O)c2cccc(B(O)O)c2)C3)C1 1841248643 YKSTVGMDROFORM-UHFFFAOYSA-N 477.326 -0.036 50 20 JBGD CCS(=O)(=O)N1CCC(C(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)CC1 14844749 LOAJAMALGSPFFC-UHFFFAOYSA-N 460.578 -0.175 50 20 JBGD Cn1c(=O)n(C)c2cc(S(=O)(=O)NNC(=O)c3csc(N4CCOCC4)n3)ccc21 747691442 FFHJUKRYGFWUFQ-UHFFFAOYSA-N 452.518 -0.207 50 20 JBGD COCCn1cnc2c1c(=O)n(CC(=O)NNC(=O)c1cc[n+]([O-])cc1)c(=O)n2Cc1ccccc1 798372441 LQUBDYHOEHKWFT-UHFFFAOYSA-N 493.480 -0.851 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCN1C(=O)C=CC1=O)C2 1778091764 QEMLCCVPKIFHJA-COFPISQPSA-N 498.540 -0.051 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc4c(c3)CNC4=O)C2)C1 1778722509 HCNKEONJQWHJRD-HSZRJFAPSA-N 464.482 -0.314 50 20 JBGD CS(=O)(=O)c1cccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)c1 1783748899 YHAAICMJBQFOSA-YYWHXJBOSA-N 486.355 -0.323 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CC(=O)N(C4CCCC4)C3)C[C@@H]21)c1cccc(B(O)O)c1 1786982726 GERYKEWTCLXEFG-GPHNJDIKSA-N 483.374 -0.249 50 20 JBGD CO[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2 1793602082 JFHGHWBDRYDYFD-BUSATUKNSA-N 499.609 -0.123 50 20 JBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CC[C@@H]3CCC(=O)N3C1)C2 1797752809 IJJIFFJBUGOKPQ-FBSOPKPWSA-N 470.530 -0.711 50 20 JBGD C[C@@H](Cn1cncn1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN(C)NC(=O)NCc1ccccc1 1799097646 SBEVAPYYNKOEFS-KMQSCTNJSA-N 498.588 -0.150 50 20 JBGD CN(CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COc1cccnn1)NC(=O)NCc1ccccc1 1801348007 OLPRSRHZJQZFDB-BBIADKPPSA-N 497.556 -0.209 50 20 JBGD COc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)cc1F 1801500617 LGQVKWKTNMZYJS-FAQVEIGNSA-N 456.279 -0.040 50 20 JBGD O=C(NC[C@@H]1CCN(C(=O)c2cc(C(=O)O)ncn2)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807360305 AFNAZBDNSGJGCE-JXFKEZNVSA-N 475.270 -0.117 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)[C@@H]1c1cccnc1 1808408189 HCBFVDPPYOKVTF-JENPBERHSA-N 494.512 -0.181 50 20 JBGD O=C(Cn1ccncc1=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1812341763 NSELDHCOHDNHSC-GCJKJVERSA-N 461.287 -0.662 50 20 JBGD CN1CCN(C2(C(=O)N[C@H]3CCc4nc(NC(=O)c5cccc(B(O)O)c5)sc4C3)CC2)CC1 1815359772 DMCIQENXICMQQT-KRWDZBQOSA-N 483.403 -0.171 50 20 JBGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2cc3n(n2)CCNC3=O)[nH]n1)c1cccc(B(O)O)c1 1817473396 REYUSYPKLSEFAH-KRWDZBQOSA-N 477.290 -0.351 50 20 JBGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CCN1C(=O)C=CC1=O)CC2 1826084040 XZCFJJTZMOJQTD-LBPRGKRZSA-N 462.532 -0.257 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827055176 RGHUSNFCIHBLCV-FQEVSTJZSA-N 458.368 -0.027 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)c3cn4ncccc4n3)CC2)CC1)c1cccc(B(O)O)c1 1834800105 QNLKJKIRHTYXHT-UHFFFAOYSA-N 476.346 -0.092 50 20 JBGD C[C@@](Cl)(CCl)C(=O)N1CCOC[C@]2(CN(C(=O)CNCP(=O)(O)O)CCO2)C1 1835540964 JXRZVRYXNFGFTL-CABCVRRESA-N 462.267 -0.596 50 20 JBGD CC(=O)N(C)[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3cnccc3C(=O)NN)CC2)CC1 1835736784 HMALULZCHRCUTL-OAHLLOKOSA-N 473.578 -0.263 50 20 JBGD CN(CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2)C(=O)c1ccccc1 1835933753 CEDAKVFOMOMHBX-VWLOTQADSA-N 495.341 -0.791 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)c3ccn(-c4ccccc4)n3)C2)C1 1835938583 ZYBNZLNRMASCFL-RUZDIDTESA-N 490.325 -0.064 50 20 JBGD COC[C@H](NC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)CBr)C2)C1 1837727448 KUHWEGOWYHSGLX-YEWWUXTCSA-N 464.357 -0.375 50 20 JBGD COc1ccnc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)c1 1837955547 UZQODZAOCBMIMB-QFIPXVFZSA-N 470.486 -0.528 50 20 JBGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cn4c(nc3=O)SCC4)C2)C1 1840153905 FJBHWLSNMQDBSK-FOIQADDNSA-N 486.978 -0.398 50 20 JBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NC[C@@H]3CN4CCC[C@H]4CO3)nc2)CC1 729619737 STPQFBWMTPJHKR-JKSUJKDBSA-N 453.569 -0.493 50 20 JBGD O=C(COC(=O)c1cccc(CN2C(=O)CNC2=O)c1)NNC(=O)[C@@H]1COc2ccccc2O1 825415735 FECSOWIAMXCVIR-KRWDZBQOSA-N 468.422 -0.117 50 20 JBGD CN1CCN(S(=O)(=O)N2CCN(C(=O)NNC(=O)c3ccc(Br)s3)CC2)CC1 918778506 HRCINMZSDNUBFX-UHFFFAOYSA-N 495.425 -0.025 50 20 JBGD Cc1c(Br)c(C(=O)N2CC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)nn1C 1780367072 GVDFZOSYPKKDLZ-HXUWFJFHSA-N 491.151 -0.072 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1c(Br)cnn1C)CCO2 1783935562 VHRYBPSMHKLWCM-SFHVURJKSA-N 471.356 -0.001 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(CN(C(=O)/C=C/C(=O)NCc3ccco3)CCO2)C1 1783936289 SXQLAUTZROPAOQ-YHCZKZFASA-N 461.519 -0.345 50 20 JBGD C[C@H](CBr)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNCP(=O)(O)O)[C@H]2C1 1786789264 YASVQJZQGOVKMR-VOAKCMCISA-N 456.274 -0.278 50 20 JBGD CC(=O)N[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1)C(C)(C)C 1786982817 INDIVEVLTRFVSV-FRYIKTPZSA-N 459.352 -0.490 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)[C@@H]1CCc2nc[nH]c2C1 1791526881 SCQBCLZXFDXWER-JXNBOPDTSA-N 452.320 -0.512 50 20 JBGD COc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)cc1N(C)C 1795734969 CIHNLMYZRIJNCI-OPMZPASUSA-N 467.331 -0.042 50 20 JBGD Cc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)ncc1[N+](=O)[O-] 1796598902 ISCLSTLMGUELJM-IVWMJMPLSA-N 469.458 -0.186 50 20 JBGD CC(=O)N(C)CCC(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1804067408 MPCLJBNINWJERZ-DENIHFKCSA-N 452.320 -0.051 50 20 JBGD Cn1c(=O)c2c(ncn2CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@@H](O)CCl)CC2)n(C)c1=O 1825102806 SSHAVSGWKUVIKR-CVEARBPZSA-N 494.980 -0.347 50 20 JBGD C[C@@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4n(n3)CCNC4=O)C2)C1 1830537988 SHKAHBLEGIFTAE-ORAYPTAESA-N 484.351 -0.273 50 20 JBGD CC(=O)OC[C@H](OC(C)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)CBr)CCO2)C1 1830540155 PEABTJCFTJXPFI-ACWOFJMJSA-N 493.351 -0.031 50 20 JBGD CC(C)(C)n1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)n1 1833585692 QFXLFDGSBNUIJT-HSZRJFAPSA-N 470.335 -0.298 50 20 JBGD O=C(COc1ccc(O)cc1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835926619 VELHAWGVASKECD-QHCPKHFHSA-N 470.287 -0.779 50 20 JBGD Cc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)c(O)c1 1835933935 JQRBJSFYRZFCHQ-QHCPKHFHSA-N 454.288 -0.236 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(CN(C(=O)CCc3cccnc3)CCO2)C1 1836180738 QHPINCHSWRQEMQ-QHCPKHFHSA-N 468.514 -0.217 50 20 JBGD O=C([C@H](O)CCl)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1ON=C(c3ccccc3)O1)CCO2 1837291556 JWGVNWKZBFZLOY-YSGRDPCXSA-N 453.879 -0.223 50 20 JBGD COC[C@H](NC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)Br)C2)C1 1837735869 BNHAENJDYQIKFJ-JDFRZJQESA-N 450.330 -0.623 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(-c3ccccn3)[nH]n1)CCO2 1838051210 DJNZNPQNYGCEGD-QHCPKHFHSA-N 485.545 -0.085 50 20 JBGD Cc1c(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)cn2[nH]cnc(=O)c12 1838469005 XMZLIKBMOMWDFZ-AUUYWEPGSA-N 453.883 -0.999 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)c1[nH]cnc1-c1cccnc1)CCO2 1838496019 QXIWDCGHISPERV-DEOSSOPVSA-N 491.313 -0.465 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)c1cc(Cl)cc3nn[nH]c13)CCO2 1838618278 JJKKJGMIGILXLV-QFIPXVFZSA-N 499.720 -0.325 50 20 JBGD CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](F)Br)CCO2)C1 1839203672 RQBDIUSNABSNNO-RKVPGOIHSA-N 490.330 -0.396 50 20 JBGD CCS(=O)(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)Br)CCO2)C1 1840030244 GJZAHKHBOJWGRF-ZENOOKHLSA-N 470.386 -0.446 50 20 JBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3C(=O)CSC3=S)C2)C1 1840156270 LYEVNZBUATWCKH-YVEFUNNKSA-N 465.981 -0.443 50 20 JBGD CC(C)n1nc(C(=O)NNC(=O)NCCN2CCN(S(C)(=O)=O)CC2)c2ccccc2c1=O 749353912 RJRJNWVXYIXBIE-UHFFFAOYSA-N 479.563 -0.501 50 20 JBGD C#CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)c1 753655675 UKNNKDYOSPKGLN-GOSISDBHSA-N 473.463 -0.258 50 20 JBGD O=C(CN1CCCC1=O)NNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 920435539 IWMFHSBDZFDEFL-HNNXBMFYSA-N 453.477 -0.092 50 20 JBGD Cn1nc(C(=O)N2CC[C@]3(CN(C(=O)c4cnccc4C(=O)NN)CCO3)C2)c2c1CCC2 1777963016 BLCSHFIJULGQTC-JOCHJYFZSA-N 453.503 -0.335 50 20 JBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2)c1cc(O)nc(O)n1 1778016257 DFIFSNNQMLNPEB-IIBYNOLFSA-N 456.264 -0.991 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](N)Cc1cscn1)C2 1782212183 ZNGMQWHCQLKJSO-CSODHUTKSA-N 466.608 -0.100 50 20 JBGD COC[C@H](Cl)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1CSCN1C(=O)[C@@H]1CCC(=O)N1)CCO2 1783880160 CHFMPXVRMSIEBI-CJXDPKRBSA-N 488.994 -0.750 50 20 JBGD COC(=O)[C@H]1CCC[C@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)C1 1791244619 WRTBGYKIVRLHNT-OEUJLIAZSA-N 472.347 -0.061 50 20 JBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1C[C@@]13C(=O)Nc1ccccc13)C2 1797754092 UEUHVIZSWGRZJU-ZWRYUADCSA-N 490.520 -0.202 50 20 JBGD CC(C)(C)OC(=O)N1C[C@@](C)(O)C[C@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2 1800825307 LPEXURMDUSGIPO-OLKYVISVSA-N 475.970 -0.064 50 20 JBGD C[C@@H](NC(=O)c1ccccc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1802111909 JPFHBNTTZDHFBS-KBMWQNTOSA-N 465.315 -0.612 50 20 JBGD CC[C@H](NC(N)=O)C(=O)NC[C@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1808231612 ZNCAJRRNSQOXCF-FHLIZLRMSA-N 468.518 -0.153 50 20 JBGD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])CC2)c1ccc(B(O)O)cc1 1815344133 JMJMAQSELKAGHJ-NSHDSACASA-N 456.249 -0.006 50 20 JBGD O=C(Nc1cc([C@H]2CCCCN2C(=O)[C@@H](O)N2CCOCC2)[nH]n1)c1ccc(B(O)O)cc1 1817472547 WNVIKSRDAQSVOX-YLJYHZDGSA-N 457.296 -0.954 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](N)CCC(N)=O)CC2)CC1 1834673390 MYGZNKQTWQHOOV-UEYIPHHSSA-N 488.593 -0.715 50 20 JBGD CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CCOC[C@]2(CN(C(=O)CCBr)CCO2)C1 1834823281 MDODBIZSOMNCKK-QAPCUYQASA-N 479.324 -0.277 50 20 JBGD Cc1nccc(C(=O)NC2CCN(C3CCN(C(=O)c4cccc(B(O)O)c4)CC3)CC2)n1 1835218197 NBIKKYKRVUVHRQ-UHFFFAOYSA-N 451.336 -0.036 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)c1ccccc1)CCO2 1835297486 OSYSFBWHMXQQTG-NFBKMPQASA-N 454.288 -0.830 50 20 JBGD C[C@H](Nc1cccnc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1835686451 BVZFTVLVXXTDPA-SBUREZEXSA-N 468.319 -0.668 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)c3cc(-c4cccnc4)[nH]n3)C2)C1 1835931734 ZKTNAZLHLNBSKE-DEOSSOPVSA-N 491.313 -0.465 50 20 JBGD COc1ncccc1CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835935215 HWYDFJYHALDLJU-DEOSSOPVSA-N 483.330 -0.527 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)ccc3O)C2)C1 1835939281 KGEBOOQPVMJEQF-QFIPXVFZSA-N 456.260 -0.839 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(F)cn3)C2)C1 1837456707 MLMALDIPSQECBP-NRFANRHFSA-N 458.450 -0.397 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccc(F)cc3)C2)C1 1837457104 VTVOTKCREJODET-QHCPKHFHSA-N 487.488 -0.027 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc4ccccn4n3)C2)C1 1837457524 IDZZHQOUPCRHCE-JOCHJYFZSA-N 480.485 -0.888 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn4cccnc34)C2)C1 1837459646 VAHGACHMRHQIAP-QFIPXVFZSA-N 480.485 -0.888 50 20 JBGD COc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)ccn1 1837977930 SXRCRXKLRZWBLT-JOCHJYFZSA-N 470.486 -0.528 50 20 JBGD CCn1nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)cc1C 1838149940 YROFTDJITZKSHY-JOCHJYFZSA-N 456.308 -0.725 50 20 JBGD C[C@](Cl)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4n(n3)CCNC4=O)C2)C1 1839151354 PCSZNIKUAQFJFH-RBUKOAKNSA-N 474.345 -0.067 50 20 JBGD CCS(=O)(=O)N[C@H](C)C(=O)N1CCCC12CN(C(=O)CN(C)NC(=O)NCc1ccccc1)C2 1841582087 GUUXPCWEFBOMAI-QGZVFWFLSA-N 494.618 -0.136 50 20 JBGD CN(CC(=O)N1CCCC12CN(C(=O)CN1CC(=O)NC1=O)C2)NC(=O)NCc1ccccc1 1845038174 AGRXSSLJMDLVBX-UHFFFAOYSA-N 471.518 -0.912 50 20 JBGD O=C(NNC(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1)c1cccc(S(=O)(=O)N2CCOCC2)c1 915260421 KLWPRMZTNSPGFL-KRWDZBQOSA-N 487.538 -0.088 50 20 JBGD O=C(CCCNS(=O)(=O)c1ccc2c(c1)OCCCO2)NNC(=O)[C@@H]1CCS(=O)(=O)C1 918210485 ZCNVUHNIIXUSPA-CYBMUJFWSA-N 475.545 -0.512 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnn4ccncc34)C2)C1 1777977249 QYJWDXKJQMLQEU-OAQYLSRUSA-N 450.459 -0.515 50 20 JBGD C[C@H](NC(=O)c1cnccn1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2 1779471476 GDBKPIZMLQLEBE-LZBHBKQYSA-N 495.345 -0.898 50 20 JBGD CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1781350888 FKISHVGOPDLGML-JPYJTQIMSA-N 491.350 -0.914 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)c3cn4c(F)cccc4n3)C2)C1 1782370079 MXHFYRCKIWFZCC-JOCHJYFZSA-N 452.251 -0.090 50 20 JBGD C[C@H](Oc1cccnc1)C(=O)N1CC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1784547655 NFJKRTRAVNSSSS-NYHFZMIOSA-N 454.487 -0.009 50 20 JBGD C[C@@H](Cn1cncn1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1 1788611267 RRSMUBMQUPQFAV-USJZOSNVSA-N 456.507 -0.794 50 20 JBGD CN(CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cncn3)C[C@@H]21)NC(=O)NCc1ccccc1 1789726613 FQVRUGAYMHOHFX-UFYCRDLUSA-N 484.561 -0.396 50 20 JBGD Cc1cc(O)c([N+](=O)[O-])cc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795736002 NXDKEIAKJPPIJL-YVWYUNDQSA-N 469.259 -0.194 50 20 JBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1n[nH]c2c1CS(=O)(=O)C2)c1ccc(B(O)O)cc1 1796383923 DUSDPTXYIHMJTF-QDMKHBRRSA-N 458.305 -0.917 50 20 JBGD C[C@@H](CS(C)(=O)=O)C(=O)N1CCCC2(CCN(C(=O)c3cccc(B(O)O)c3)CC2)C1 1806043457 HZMCBNIXUIKBML-INIZCTEOSA-N 450.366 -0.108 50 20 JBGD Nc1n[nH]c(CCC(=O)N2CC[C@H](CNC(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)n1 1807362466 VOOIMZALGKTUDR-UZLBHIALSA-N 463.307 -0.586 50 20 JBGD COC[C@H](NC(C)=O)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1 1817472146 KWANNTMBGVUSAM-ROUUACIJSA-N 457.296 -0.454 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCC([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827054746 JFLVJOQRANSEJX-JOCHJYFZSA-N 464.136 -0.407 50 20 JBGD N=C(N)NCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCN2C(=O)OCc1ccccc1 1828551269 LROQSQCCBXEGQO-IERDGZPVSA-N 480.953 -0.479 50 20 JBGD CC(=O)OC[C@@H](OC(C)=O)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](O)CCl)CC2)CC1 1835754170 USVPHGUDLLYWFX-ZWKOTPCHSA-N 461.943 -0.348 50 20 JBGD O=C(CCN1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835936013 ZYSWNJKYASEGQU-HSZRJFAPSA-N 459.352 -0.688 50 20 JBGD O=C(c1cnc2snnc2c1)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835938181 OUHCLGIVTFZQRX-NRFANRHFSA-N 483.315 -0.850 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)c3nc4ccccc4o3)C2)C1 1835939447 RFINASUWPGMSLS-QHCPKHFHSA-N 465.271 -0.109 50 20 JBGD CCc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)nn1C 1838273650 RSSVIOZVLXOMOX-QFIPXVFZSA-N 456.308 -0.954 50 20 JBGD COc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)c(OC)c1 1838879152 ZXACSIGXVCUOGW-XMMPIXPASA-N 484.314 -0.233 50 20 JBGD COC(=O)CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1840235727 KMRMRNYULNWOMA-QHCPKHFHSA-N 476.335 -0.440 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)c2ncn3nc(N4CCOCC4)ccc23)C1 1843153851 INWWXCNQGGCLJX-UHFFFAOYSA-N 490.329 -0.624 50 20 JBGD COCCOCCOCCOCCC(=O)N1CCCC12CN(C(=O)CCC(=O)NN(C)C)C2 1845246466 SVJRVFOQVYRVBP-UHFFFAOYSA-N 472.583 -0.351 50 20 JBGD C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)NNC(=O)Cc2nc(C)cs2)cc1 811834173 KTTCNKHMHRPLIK-UHFFFAOYSA-N 450.498 -0.090 50 20 JBGD CN(C)N(C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)[C@@H]1CCS(=O)(=O)C1 832870262 GRTYRWYKZMTYLH-QGZVFWFLSA-N 486.616 -0.208 50 20 JBGD COc1cc2c(cc1OC)[C@H](CC(=O)NNC(=O)CCS(C)(=O)=O)N(S(C)(=O)=O)CC2 916827726 ULJVCUMWCSPAIK-AWEZNQCLSA-N 477.561 -0.465 50 20 JBGD CC(=O)N[C@H](C(=O)N1CC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1)c1ccc(F)cc1 1780907496 AYQRWSAQOONBSV-URXFXBBRSA-N 483.305 -0.174 50 20 JBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(CCN(C(=O)Cc3csc4c3c(=O)n(C)c(=O)n4C)C2)C1 1780921973 FMSYMHJJVUTSPO-LHSJRXKWSA-N 498.989 -0.075 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@]2(CCN(C(=O)Cn3ccncc3=O)C2)C1 1782660853 OQNPVYVYQJITIS-SGSZHJQISA-N 455.475 -0.793 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCc3ccccc3[C@H]1O)C2)c1ccc(B(O)O)cc1 1795732760 HBLIKGFUQIMILM-HYEPPUOFSA-N 464.327 -0.134 50 20 JBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C1\C(=O)Nc2ccccc21 1797660415 ICNPERZTPQXCGY-CHMVHSBESA-N 455.515 -0.015 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1C(=O)CSC1=S 1802104640 AXAFHKMRPQJLMG-ZPLRYINRSA-N 492.583 -0.430 50 20 JBGD O=C(NC[C@@H]1CCN(C(=O)c2cnc(O)nc2O)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807360408 ASVPDBLTEWMHTO-MAUKXSAKSA-N 463.259 -0.404 50 20 JBGD O=C(NC[C@@H]1CCN(C(=O)CN2CCOCC2)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807371191 QWEJMLURKQTHGL-UGKGYDQZSA-N 452.320 -0.587 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCC2(CCCN(C(=O)c3cc(=O)n4[nH]cnc4n3)C2)CC1 1809962259 BYXHMHZPTGDFFQ-UHFFFAOYSA-N 464.291 -0.744 50 20 JBGD CN1CCN(CCC(=O)N[C@@H]2CCc3nc(NC(=O)c4ccc(B(O)O)cc4)sc3C2)CC1 1815339962 XPMJQNMEQSCIEY-QGZVFWFLSA-N 471.392 -0.314 50 20 JBGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1nc[nH]c1[N+](=O)[O-])CC2)c1ccc(B(O)O)cc1 1815341305 WKGMYCXGNDTXJQ-LLVKDONJSA-N 456.249 -0.006 50 20 JBGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1)c1n[nH]c2c1CS(=O)(=O)C2 1817682287 GHDRHAUXUAGZCY-KRWDZBQOSA-N 498.330 -0.139 50 20 JBGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=O)c3cccnc3)CCO2)C1 1832731315 DYTIKADSGRVJDZ-OXQOHEQNSA-N 454.911 -0.478 50 20 JBGD O=C([C@H](F)Cl)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCc3nc(O)nc(O)c3C1)CCO2 1833026496 MRLLMNANFWHEGM-CILWKZBWSA-N 458.874 -0.017 50 20 JBGD Cc1noc(CC(=O)NC2CCN(C3CCN(C(=O)c4cnccc4C(=O)NN)CC3)CC2)n1 1834851454 ZIDSVNORMITQNM-UHFFFAOYSA-N 470.534 -0.196 50 20 JBGD Nc1c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)sc2nccnc12 1835877256 DDTWLJVGOOSBIF-QFIPXVFZSA-N 497.342 -0.663 50 20 JBGD COc1cncc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)c1 1835927490 PWZBBYATCRAHOM-XMMPIXPASA-N 483.330 -0.527 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccn(C(F)F)n3)C2)C1 1837458877 FWPMMKVPXQPZJK-HXUWFJFHSA-N 479.444 -0.340 50 20 JBGD CCCC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1837674871 OPXPRGCCMWTSRK-QRQCRPRQSA-N 476.534 -0.940 50 20 JBGD CS(=O)(=O)c1cncc(C(=O)N2CC3(CCCN3C(=O)c3cnccc3C(=O)NN)C2)c1 1844263700 KCSQAFGAMISQIW-UHFFFAOYSA-N 458.500 -0.386 50 20 JBGD Cc1nc2n(n1)C[C@H](NC(=O)NNC(=O)CCc1ccc(S(=O)(=O)N3CCOCC3)cc1)CC2 727228569 GQZRJSXARLQUOM-QGZVFWFLSA-N 491.574 -0.115 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc4c(c3)NC(=O)CO4)C2)C1 1778578742 VVALVZGCHODULW-QFIPXVFZSA-N 459.503 -0.166 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O)CCO2 1783935556 VSRJUAKRFOSXSW-QQMNAOGKSA-N 497.593 -0.583 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C[C@H](O)CN1C(=O)OCc1ccccc1)C2)[C@@H](O)CCl 1792983104 DAGNUVQWYXMBEW-XSEPRYCASA-N 495.960 -0.052 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CNC(=O)O1 1793415305 KSPYNCLFBHLBKK-NDKCEZKHSA-N 460.915 -0.184 50 20 JBGD CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(B(O)O)cc2)C1 1796189873 AGJQSHCJIIIADO-NRAIQUKZSA-N 487.362 -0.010 50 20 JBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2n(n1)CCCNC2=O)c1ccc(B(O)O)cc1 1797966840 XQTHXVCWZYPMCX-BJWYYQGGSA-N 451.292 -0.738 50 20 JBGD CN(CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1CC(=O)C1)NC(=O)NCc1ccccc1 1802008864 AURKHTNCAZATRM-RMFSNUHRSA-N 457.531 -0.099 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@H](CNC(=O)[C@H]2CCC(=O)N2)[C@@H]1c1cccnc1 1806821206 RKGUOJMPKBKWDF-YJLNNSPDSA-N 451.487 -0.322 50 20 JBGD Cc1cn(CC(=O)N[C@H]2CCc3nc(NC(=O)c4cnccc4C(=O)NN)sc3C2)c(=O)nc1O 1819801711 QUFGRQIUPJHCOU-NSHDSACASA-N 498.525 -0.362 50 20 JBGD CS(=O)(=O)c1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)cc1 1830723459 NZROLWDZHALGHB-XLIONFOSSA-N 474.963 -0.311 50 20 JBGD CN1CCCn2nc(C(=O)N3CCOC[C@]4(C3)CN(C(=O)[C@@H](O)CCl)CCO4)cc2C1 1830735058 CPEPWWARBQIINR-PXNSSMCTSA-N 455.943 -0.612 50 20 JBGD Cc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)cn1 1833130050 OACXUZJHCBVNGM-QHCPKHFHSA-N 453.304 -0.617 50 20 JBGD COc1cccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)c1 1835030295 KYQPIRZHZNZBTR-DEOSSOPVSA-N 468.315 -0.312 50 20 JBGD Cc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)cnc1C 1835927483 PKPXQVIPCBIFAT-HSZRJFAPSA-N 453.304 -0.238 50 20 JBGD CN(CC(=O)NC1CCN(C2CCN(C(=O)C(O)O)CC2)CC1)NC(=O)NCc1ccccc1 1836343526 ICWGFFKLGDHMEI-UHFFFAOYSA-N 476.578 -0.785 50 20 JBGD CC(C)(C)OC(=O)NCCOCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1839139146 ZSRQRPVMOGFUJP-FOIQADDNSA-N 479.958 -0.416 50 20 JBGD CC(=O)N1CCN(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](F)Br)CCO3)CC1 1839201328 VCCBGCVHQAPIQI-SJLPKXTDSA-N 479.347 -0.703 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)c1cccc3nccn13)CCO2 1839551338 LUOHDWNYFQBCOF-QHCPKHFHSA-N 464.287 -0.602 50 20 JBGD CC[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)N3CCOCC3)C2)C1 1839964996 KJOOEDHDZINLCC-ZVZYQTTQSA-N 464.357 -0.733 50 20 JBGD Cc1cc(C)n(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)CCC(=O)NN(C)C)CCO3)n1 1840186018 WIHWGJFZTNDUPB-QFIPXVFZSA-N 464.567 -0.281 50 20 JBGD COc1cc(F)ccc1CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1840933968 WMIHCOQPVOAIGJ-DEOSSOPVSA-N 486.305 -0.173 50 20 JBGD CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](C(=O)N2CC3(CCCN3C(=O)c3ccc(B(O)O)cc3)C2)C1 1843011935 LENOZKFOVZHDIY-ZWKOTPCHSA-N 473.335 -0.589 50 20 JBGD CN(C)C(=O)CCNC(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 916624090 MIMGARGZFMYSGA-UHFFFAOYSA-N 455.537 -0.551 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](N)CN)C1 1777998511 PNMBMPYMRFYETF-UJKGCTCZSA-N 461.991 -0.082 50 20 JBGD Nc1c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)sc2nccnc12 1786980014 YVGSNHYSMXVPDN-BPUTZDHNSA-N 481.343 -0.140 50 20 JBGD COC(=O)c1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)cc1 1786982927 CSJRJXWPHTUHAL-BVSLBCMMSA-N 480.326 -0.011 50 20 JBGD CC(C)(C)OC(=O)N1CC(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)C1 1797144190 CHPAMDVPISHTBA-IZZQQSIFSA-N 473.335 -0.564 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1CCN(C(=O)[C@@H]2CCC(=O)NC2)[C@@H]1c1cccnc1 1810294252 IXKMKXOYFWAZSY-RZQQEMMASA-N 465.514 -0.074 50 20 JBGD O=C(Nc1cc([C@H]2CCCCN2C(=O)Cn2ccncc2=O)[nH]n1)c1ccc(B(O)O)cc1 1817475226 LQBDBWBRJCFZAK-QGZVFWFLSA-N 450.264 -0.348 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCC([C@@H]2CCCCN2C(=O)CCN2C(=O)C=CC2=O)CC1 1824771438 TYKWMOJWZXDYAN-FQEVSTJZSA-N 467.331 -0.085 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCC([C@H]2CCCCN2C(=O)Cn2ccncc2=O)CC1 1831103698 FHXGJPCJNLCUBK-HXUWFJFHSA-N 452.320 -0.143 50 20 JBGD COc1cc(C(=O)N2CCC(N3CCC(NC(=O)c4ccc(B(O)O)cc4)CC3)CC2)n(C)n1 1834797500 PWZFGRLVNMIBCR-UHFFFAOYSA-N 469.351 -0.393 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC1CCN(C2CCN(C(=O)CCC(N)=O)CC2)CC1 1835117972 CATNILGEYGRLOA-CVKSISIWSA-N 459.551 -0.043 50 20 JBGD C[C@@H](Cc1ccccn1)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835933640 FBGHUMRIXYTFTJ-UUOWRZLLSA-N 467.331 -0.290 50 20 JBGD C[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1)n1cccc1C=O 1835935533 JQRIOUABOKHXFN-GAJHUEQPSA-N 469.303 -0.688 50 20 JBGD CCNC(=O)N[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C2)C1 1837380812 DXBICZRJBFCCDF-GIYTVRSPSA-N 491.549 -0.716 50 20 JBGD COc1ccc([C@@H](O)C(=O)N2CCOC[C@]3(CN(C(=O)c4cnccc4C(=O)NN)CCO3)C2)cc1 1837455858 GDVRGKWJYXPTCV-YKSBVNFPSA-N 499.524 -0.503 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c(n3)OCCO4)C2)C1 1837457739 OOJRHTGDBKZSRC-QHCPKHFHSA-N 498.496 -0.765 50 20 JBGD COc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)ccn1 1837459111 IWJFXXOLMGBZND-QFIPXVFZSA-N 470.486 -0.528 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(O)nc3)C2)C1 1837459819 NFGMDAWCVAZGHZ-OAQYLSRUSA-N 456.459 -0.831 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)c1cncc3cnccc13)CCO2 1838462515 YMMNTUNZHIIUEN-XMMPIXPASA-N 476.298 -0.307 50 20 JBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](NC(=O)c3ccccc3)[C@@H](C)O)C2)C1 1840149666 WTSAFPHBIVWCFW-ZQDYSYBYSA-N 497.976 -0.124 50 20 JBGD CN1CC[C@@H](C(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1=O 906288891 IDSAKLKVHJMSKV-MRXNPFEDSA-N 452.533 -0.344 50 20 JBGD CN(CC(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1)S(=O)(=O)c1ccccc1 914823931 SRFGQXPKGGAIBU-QGZVFWFLSA-N 463.468 -0.162 50 20 JBGD Cn1c(=O)n(CC(=O)N2CC[C@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)c2ccccc21 1778163725 FEQVAQKAHUTATL-DEOSSOPVSA-N 478.314 -0.837 50 20 JBGD Cn1c(=O)c2c(ncn2CC(=O)N2CCO[C@@]3(CCN(C(=O)C(Cl)Cl)C3)C2)n(C)c1=O 1783944080 SARBMDPUHGQPBT-SFHVURJKSA-N 473.317 -0.933 50 20 JBGD COc1cccc(CCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)n1 1786984540 NFPIUHKARXDCIJ-YYWHXJBOSA-N 467.331 -0.004 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc4nncn4c3)C[C@@H]21 1788611191 OMJLCSKOJAXNRC-WBAXXEDZSA-N 464.486 -0.365 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1ccc(O)c([N+](=O)[O-])c1 1790023356 BXTNOAOICFUSPY-KNBMTAEXSA-N 469.259 -0.113 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)N1CCCC1 1793803624 IBGHZLZJNSKSMF-YVWYUNDQSA-N 458.519 -0.709 50 20 JBGD CN(CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)n(C)n1)C2)NC(=O)NCc1ccccc1 1799095395 QGWQPBRPUQXKNM-UPHUGPLXSA-N 485.545 -0.325 50 20 JBGD CC(C)(C)OC(=O)N1C[C@](C)(O)C[C@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2 1800825311 LPEXURMDUSGIPO-TZZQQRSASA-N 475.970 -0.064 50 20 JBGD O=C(NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1)c1cccc(=O)n1O 1804953443 ZVHVYRNNPJPMNP-UTKZUKDTSA-N 462.271 -0.206 50 20 JBGD CN1CCN(CC(=O)NC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)[C@H]2c2cccnc2)CC1 1809599799 MZYXOMNPYJFTBV-AVRDEDQJSA-N 480.573 -0.353 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)CNCP(=O)(O)O)[C@H]1c1cccnc1 1813070815 LEJAGNQTQHCPIS-BEFAXECRSA-N 470.467 -0.815 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCC(N2CCC(NC(=O)[C@H](N)c3ccccn3)CC2)CC1 1834724231 HBBXWMKODBYFMB-OAQYLSRUSA-N 480.573 -0.035 50 20 JBGD COc1cnc(C(=O)N2CCC(N3CCC(NC(=O)c4cccc(B(O)O)c4)CC3)CC2)cn1 1834801142 RKDWHFRDOHZDJQ-UHFFFAOYSA-N 467.335 -0.336 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](C)NC=O)CC2)CC1 1835117916 WPYHDMFVRFVBCQ-KSXCTLEASA-N 459.551 -0.174 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC1CCN(C2CCN(C(=O)[C@@H]3[C@H]4COC[C@H]43)CC2)CC1 1835737281 DWZGDFRSQMKRGO-PMOLBWCYSA-N 456.547 -0.237 50 20 JBGD CN1CCN(C2(C(=O)NC3CCN(C4CCN(C(=O)c5cccc(B(O)O)c5)CC4)CC3)CC2)CC1 1836376918 FAQCBUQJUUWTCJ-UHFFFAOYSA-N 497.449 -0.668 50 20 JBGD Cc1nc(C)c(C(=O)N2CCOC[C@]3(CN(C(=O)c4cnccc4C(=O)NN)CCO3)C2)o1 1837460019 ZKFHAOXDZKFDGO-NRFANRHFSA-N 458.475 -0.326 50 20 JBGD CN1C(=O)CC[C@H]1C(=O)N1CCC(OC2CCN(C(=O)c3cnccc3C(=O)NN)CC2)CC1 1838394528 GMXDUDDVRTXZON-IBGZPJMESA-N 472.546 -0.082 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccnc3c1OCO3)CCO2 1838477974 UFBYODRKPGZRBC-JOCHJYFZSA-N 484.469 -0.807 50 20 JBGD CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)C1 1839108106 BIWVXXZEMGVJKP-PTDBIEIZSA-N 491.969 -0.730 50 20 JBGD O=C(c1cc(=O)n2[nH]cnc2n1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839199324 NGQXBKYLMCDLMK-BLLLJJGKSA-N 473.259 -0.822 50 20 JBGD Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)nc2nccn12 1839549747 JBBIVIFUSDHBHI-JOCHJYFZSA-N 473.534 -0.519 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)c1cnc3ccc(F)cn13)CCO2 1839591166 JNVWPXZNCHBOCE-HSZRJFAPSA-N 482.277 -0.463 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cccc([N+](=O)[O-])c3)C2)C1 1840182352 AKSWVNNDHBXOPA-JOCHJYFZSA-N 477.518 -0.033 50 20 JBGD C[C@@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840182675 PQHMEVLVSSTHTN-KBXCAEBGSA-N 463.373 -0.153 50 20 JBGD C[C@H](Nc1nccs1)C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840183811 BJECQOFZQZQXPF-YWZLYKJASA-N 468.580 -0.227 50 20 JBGD O=C([C@@H]1CCc2nc(O)nc(O)c2C1)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843010557 CFBJFXWIYQRBQY-CQSZACIVSA-N 452.276 -0.810 50 20 JBGD CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NNC(=O)C(=O)N1CCCC1 748246502 BKBVXVHKJFKGKP-AWEZNQCLSA-N 494.979 -0.809 50 20 JBGD O=C(COC(=O)CCNS(=O)(=O)c1cccs1)NNC(=O)[C@@H]1COc2ccccc2O1 800940644 XTHROKBNHAEKDN-AWEZNQCLSA-N 469.497 -0.053 50 20 JBGD CN(CC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)[C@@H]1CCS(=O)(=O)C1 914532981 YMGZOVLUKNWRGE-OAHLLOKOSA-N 458.562 -0.649 50 20 JBGD COc1cc2c(cc1OC)[C@H](CC(=O)NNC(=O)N[C@H](C)C(=O)N(C)C)N(S(C)(=O)=O)CC2 916577509 GXPHNVQHEJKXPQ-DOMZBBRYSA-N 485.563 -0.240 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)c3ccc(O)c([N+](=O)[O-])c3)C2)C1 1781538741 AIQIQUJJZUDXSH-OAQYLSRUSA-N 455.232 -0.263 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccccc3C(=O)OCCO)C[C@@H]21 1791290682 KKKKIIVDKZKRBE-VDGAXYAQSA-N 490.557 -0.198 50 20 JBGD CC(C)(C)OC(=O)N1C[C@@](C)(O)C[C@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)CCl 1792982499 FMUIPKCSODIEIC-OLKYVISVSA-N 475.970 -0.064 50 20 JBGD CC(=O)Nc1ccccc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795736768 FTLLRLWIISJHCA-UPHUGPLXSA-N 451.288 -0.158 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCCS1(=O)=O)C2 1796444169 YVVYCGIEBGLLDU-WGCSPTNMSA-N 465.532 -0.713 50 20 JBGD CC(=O)OC[C@H](OC(C)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Br)C2 1797789422 FOXLCBMCPTZFGJ-NDKCEZKHSA-N 453.261 -0.239 50 20 JBGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1)c1cccc(=O)n1O 1804949007 IYJJIMIBZUCLCC-UWJYYQICSA-N 462.271 -0.206 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1CCN(C(=O)CN2CC(=O)NC2=O)[C@@H]1c1cccnc1 1808410761 XKMNYWBOQACVMA-CGUIXBEDSA-N 494.512 -0.227 50 20 JBGD CCS(=O)(=O)CC(=O)N1CC[C@@H](CNC(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1810293669 GFCPVAMEUBNOMP-HNAYVOBHSA-N 474.543 -0.166 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(=O)n3[nH]nnc3n2)CC1 1827401492 POQCKVQOUMCQAM-MRXNPFEDSA-N 473.538 -0.581 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H](O)N2CCOCC2)CC1 1828974124 PVLGISXRTCHJQN-WIYYLYMNSA-N 453.584 -0.370 50 20 JBGD C[C@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@H]3NC(=O)NC3=O)C2)C1 1830535254 KXEKQLILVVXIRW-PSTGCABASA-N 461.313 -0.928 50 20 JBGD O=C1CCc2ccc(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)[C@@H](O)CCl)CCO4)nc2N1 1830723881 SPSJFYIPQSLJKB-MGPUTAFESA-N 452.895 -0.364 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cn1nnc3ccccc31)CCO2 1832209182 OFBDBTDTPALRHI-QFIPXVFZSA-N 473.534 -0.739 50 20 JBGD O=C1COc2ccc(C(=O)N3CCOC[C@]4(C3)CN(C(=O)c3ccc(B(O)O)cc3)CCO4)cc2N1 1835930478 JHTMKUMPNTZTIQ-DEOSSOPVSA-N 495.297 -0.919 50 20 JBGD O=C(c1cc(Cl)c2nncn2c1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835930727 WOBUCEJSQWOQCT-QFIPXVFZSA-N 499.720 -0.554 50 20 JBGD CN1Cc2ccccc2C[C@@H]1C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835933716 BETVLAHVTZLVOR-BVAGGSTKSA-N 493.369 -0.507 50 20 JBGD CC1CCN(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)CC1 1835934281 SNMWYYTUWFNPRM-HSZRJFAPSA-N 459.352 -0.832 50 20 JBGD Nc1ccccc1/C=C/C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835936004 ZSXCMUNSOBAEFR-KDLSMAQYSA-N 465.315 -0.268 50 20 JBGD Cc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)ccc1O 1835939445 RBKWWEGLMRHQDV-QHCPKHFHSA-N 454.288 -0.236 50 20 JBGD O=C([C@H](O)CCl)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CN(Cc3ccccc3)CCO1)CCO2 1836684754 JULBGBUCYDCSQC-VIZSFHNOSA-N 481.977 -0.057 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc4[nH]ncc4c3)CCO2)C1 1836811315 MMDWBQUTLZMFKA-JOCHJYFZSA-N 480.485 -0.660 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/c3cnccn3)C2)C1 1837460752 JTVNBTQYWBVTOV-BIWRPXHWSA-N 467.486 -0.742 50 20 JBGD C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1)n1ccccc1=O 1837687361 UXSUQCQGRRVVJE-QMHKHESXSA-N 484.513 -0.822 50 20 JBGD C[Si](C)(C)OCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCN3C(=O)C=CC3=O)C2)C1 1837709949 BFSGCLWXWDQRME-HXUWFJFHSA-N 453.568 -0.391 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCN3C(=O)OC(C)(C)C)C2)C1 1840182590 NYMUEVRKWIBRLY-SBUREZEXSA-N 497.593 -0.175 50 20 JBGD CCCC(=O)N[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840185922 WMWNGAIYHGTTHH-HRAATJIYSA-N 455.556 -0.879 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(C(N)=O)cc1)CCO2 1840648307 HCIMYLAMWBBTNE-JOCHJYFZSA-N 461.519 -0.772 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC12CN(C(=O)c1cc3n(n1)CCCNC3=O)C2 1843416174 IEFDCRFHMOFNEZ-AFUMVMLFSA-N 466.502 -0.032 50 20 JBGD CC(C)(C)OC(=O)N1CCO[C@H](C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2cccc(B(O)O)c2)C1 1847641663 PBZUKDALWVMCJO-FHWLQOOXSA-N 473.335 -0.182 50 20 JBGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)c1ccc2c(c1)C(=O)NC2=O 729509468 PSKAURMMHFFQJW-UHFFFAOYSA-N 486.506 -0.015 50 20 JBGD C[C@@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2)N1C[C@H]2C[C@H]2C1 1779246547 IBZGSECVKOYKNQ-KJEQXOQGSA-N 455.364 -0.166 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)c3nn[nH]c3C(F)(F)F)C2)C1 1780360425 APCZYERGQRXCMM-KRWDZBQOSA-N 453.186 -0.739 50 20 JBGD COC(=O)[C@@H]1CCC[C@@H](C(=O)N2CC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)C1 1783860879 WMRZFASWDQWUHS-JTUHZDRVSA-N 458.320 -0.211 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1cccn2c(O)nnc12 1787386706 XDGHHBOFEQPCJA-WBAXXEDZSA-N 465.275 -0.978 50 20 JBGD Cc1cc(C)n2ncc(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)c5cccc(B(O)O)c5)C[C@@H]43)c2n1 1787908279 VCXQYMIJWOXMHF-YYWHXJBOSA-N 477.330 -0.067 50 20 JBGD CCNC(=O)N[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C[C@@H]21 1788562494 QBANBPSWBURMGM-RZUYOHSKSA-N 475.550 -0.192 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4cccnn4n3)C[C@@H]21 1788610285 VXVIULHDBPJHDT-IXDGSTSKSA-N 464.486 -0.365 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cnnn1)C2 1798522356 QVZNBOGGHCRTEP-IVWMJMPLSA-N 459.419 -0.590 50 20 JBGD COC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C 1801011106 BMSQZESIFWOOBB-YYAJDYIMSA-N 485.582 -0.511 50 20 JBGD CC(=O)N[C@H](Cc1cccc(F)c1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C 1801014084 DNBQGAFELLZUOF-DNGCBJQESA-N 491.564 -0.165 50 20 JBGD O=C(/C=C\C(=O)N[C@@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1)NC1CC1 1815356320 CALKWTABYOXHQL-WHLNPGIBSA-N 454.317 -0.117 50 20 JBGD CC[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1)N(CC)CC 1831670296 LNPMFCBMTIGJFZ-WMZHIEFXSA-N 476.578 -0.125 50 20 JBGD CC[S@@](=O)CCC(=O)NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1835655715 SATJUIPQZFFWSR-JGCGQSQUSA-N 463.409 -0.290 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc4c(c3)CC(=O)N4)CCO2)C1 1836789419 BHPKNQWHIFRUAV-DEOSSOPVSA-N 494.508 -0.437 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc3c(c1)CNC3=O)CCO2 1837152581 AILSRVQZPXSTAC-QHCPKHFHSA-N 473.530 -0.627 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4ccccn4n3)C2)C1 1837459593 SLSHJWUKAPLJFH-HSZRJFAPSA-N 479.497 -0.283 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ncc[nH]3)C2)C1 1837460294 ABCCSHZJWZRYMN-NRFANRHFSA-N 457.491 -0.889 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCC(OC2CCN(C(=O)c3c[nH]c(=O)cn3)CC2)CC1 1838394760 UKQKYMAHEVBGCB-UHFFFAOYSA-N 469.502 -0.306 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(-n3ccnc3)ccn1)CCO2 1838794135 DBENBOIAUDZBBX-XMMPIXPASA-N 491.313 -0.669 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)c1cnc3ccc(F)cn13)CCO2 1839591233 NDMXOAUUQDNYEG-QHCPKHFHSA-N 482.277 -0.463 50 20 JBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)cc1 17406569 ATNKIBFMOIOMDB-IBGZPJMESA-N 451.505 -0.517 50 20 JBGD CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 729274860 FYSRPVUHBIZZNC-AAEUAGOBSA-N 459.550 -0.631 50 20 JBGD CS(=O)(=O)NCCc1ccc(C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1 753859703 RBMBGEXWYDAMFT-GOSISDBHSA-N 477.495 -0.078 50 20 JBGD COc1cc2c(cc1OC)[C@H](CC(=O)NNC(=O)N[C@@H](C)C(=O)N(C)C)N(S(C)(=O)=O)CC2 916577512 GXPHNVQHEJKXPQ-WFASDCNBSA-N 485.563 -0.240 50 20 JBGD CCCC(=O)N[C@@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2 1779517646 CKJYWHZUQJOWAM-XKDCRVNJSA-N 459.352 -0.201 50 20 JBGD CN(CC(=O)N1CC[C@]2(C1)CN(C(=O)CN1CCCC1=O)CCO2)NC(=O)NCc1ccccc1 1780969446 HEACSZYWDDHUQI-DEOSSOPVSA-N 486.573 -0.215 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CC(c4ccccc4)=NN3)C2)C1 1782604126 BYXCELHTYHUWTR-WMZHIEFXSA-N 456.547 -0.045 50 20 JBGD C[C@H](CBr)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCS(=O)(=O)CC3)C[C@@H]21 1783968649 FARAZGZIEXYREV-UGUYLWEFSA-N 480.425 -0.273 50 20 JBGD NC[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1ccccc1 1786922706 ZLYATUAMCHABHE-FKVLARQCSA-N 451.332 -0.298 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)[C@H]1Cc2ccccc2CN1 1787452265 LRNBJMQWNWQJDI-SNJCGAMXSA-N 463.343 -0.326 50 20 JBGD C[C@@](O)(C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1)C(F)(F)F 1788611749 YQZUMLBMZYOYKS-CQDXQUMASA-N 459.425 -0.408 50 20 JBGD CNC(=O)CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN(C)NC(=O)NCc3ccccc3)[C@H]2C1 1789724909 QTMGXSCMEDPTEK-FHWLQOOXSA-N 474.562 -0.552 50 20 JBGD O=C1CCc2ccc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)c3ccc(B(O)O)cc3)nc2N1 1795734856 ZOQCPYPICZCIGQ-CWPLJXCYSA-N 464.287 -0.837 50 20 JBGD CN(CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1ccncc1=O)C2)NC(=O)NCc1ccccc1 1799097504 NNSBJADUZTZHRI-BBIADKPPSA-N 497.556 -0.821 50 20 JBGD CO[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C 1801010609 LITZPKPQJYIRHR-BUSATUKNSA-N 499.609 -0.123 50 20 JBGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1)c1cc(=O)n2[nH]cnc2n1 1817466757 UBDPPAKOGNEUMG-INIZCTEOSA-N 476.262 -0.560 50 20 JBGD CN(C)NC(=O)CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)CN2CCS(=O)(=O)CC2)[nH]n1 1822410355 HVYHXVXBJUDJLT-INIZCTEOSA-N 483.595 -0.495 50 20 JBGD O=C1NCCn2nc(C(=O)N3CCC([C@@H]4CCCCN4C(=O)c4cccc(B(O)O)c4)CC3)cc21 1827054553 GWHICIDSNJXCDQ-FQEVSTJZSA-N 479.346 -0.147 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(CN(C(=O)CCSC(=N)N)CCO2)C1 1835647982 LOQGSHYYTSPYID-LSCMLXDISA-N 479.563 -0.406 50 20 JBGD O=C(c1ccn2cncc2c1)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835936953 LSEBFJSTUCTUKK-QHCPKHFHSA-N 464.287 -0.602 50 20 JBGD COc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)ccc1[N+](=O)[O-] 1835941869 SSMBGZJTPMEQIL-HSZRJFAPSA-N 499.285 -0.333 50 20 JBGD CCC(=O)N[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1836816744 RRLQHQFMUYBKDS-INIZCTEOSA-N 459.352 -0.107 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCC(OC2CCN(C(=O)CN3CCOCC3)CC2)CC1 1837805616 OBJMPFOSOHCCBZ-UHFFFAOYSA-N 453.584 -0.310 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)c1ccnc(Cl)n1)CCO2 1837921949 WMOSRNACQSYAPF-FQEVSTJZSA-N 460.683 -0.806 50 20 JBGD C[C@@](Cl)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1839151939 INGNCYMUSSTHIL-RTBURBONSA-N 459.135 -0.327 50 20 JBGD CN1CCN(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](F)Br)CCO3)CC1 1839199762 UAXAZRSDEXRTSK-SJLPKXTDSA-N 465.364 -0.229 50 20 JBGD CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)C1 1840218973 WBIKCRZFGPULSS-IWMITWMQSA-N 491.969 -0.586 50 20 JBGD CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)NNC(=O)C(=O)N2CCCC2)c1 748246609 DTPYLNBVRXBWHU-UHFFFAOYSA-N 453.521 -0.843 50 20 JBGD COc1ccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cnccc2C(=O)NN)C3)nn1 1779951772 ZXMFMEQSOMBTGL-VGOFRKELSA-N 469.502 -0.075 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@]2(CN(C(=O)C3=NNC(=O)C3)CCO2)C1 1780097932 SJIHCVBQNOEXMT-FQEVSTJZSA-N 459.415 -0.161 50 20 JBGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)Cc3csc4c3c(=O)n(C)c(=O)n4C)C2)C1 1780921979 FMSYMHJJVUTSPO-SZNDQCEHSA-N 498.989 -0.075 50 20 JBGD O=C(/C=C/C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1)NCc1ccccc1 1786978651 HYEOQMGRMWOHBI-CWTQBQHLSA-N 491.353 -0.168 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3nnc4ccccc43)C[C@@H]21)c1cccc(B(O)O)c1 1786982768 HLWQCRIHYFNUOR-MDKPJZGXSA-N 463.303 -0.595 50 20 JBGD COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)n1 1786982915 HKKPKPKMXBALFH-ZVZYQTTQSA-N 484.274 -0.415 50 20 JBGD O=C(Cc1ccc(Br)cn1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1794159498 UULJHBRKNAHBIK-YVWYUNDQSA-N 488.147 -0.030 50 20 JBGD CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2 1800806901 OSGAJQURTWRELK-ZTYXSZCMSA-N 461.943 -0.454 50 20 JBGD COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C 1801012190 MRTYLQYMBQIETK-PHSQPZKOSA-N 450.536 -0.296 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Cl)C2 1802148555 GQHJDROSFXTGOF-GGFUIZRSSA-N 450.895 -0.121 50 20 JBGD CCS(=O)(=O)N[C@@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815350368 SHAQYGUJWJXXGC-SMDDNHRTSA-N 480.377 -0.624 50 20 JBGD COc1ccc([C@@H](O)C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)cc1 1830212977 CVCICDJMKJQIFX-ZJSXRUAMSA-N 484.314 -0.821 50 20 JBGD O=C(CCBr)NC1CCN(C2CCN(C(=O)C[C@H]3NC(=O)NC3=O)CC2)CC1 1834422497 QAFJKPLQHFSXQF-CQSZACIVSA-N 458.357 -0.059 50 20 JBGD N[C@@H](C(=O)NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1)c1ccccn1 1834723012 XYPZTFPBVUJALM-JOCHJYFZSA-N 465.363 -0.353 50 20 JBGD N#C/C(=C\c1ccc(F)cc1F)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(=N)N)CCO2)C1 1835578142 HGOQGAQMCXUPQQ-LFEYGZQNSA-N 462.457 -0.189 50 20 JBGD COc1ccc(C(=O)N2CCC(N3CCC(NC(=O)c4cnccc4C(=O)NN)CC3)CC2)nn1 1835738192 XBLUOYWPLUHCGC-UHFFFAOYSA-N 482.545 -0.017 50 20 JBGD Cn1cnc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)c1C(F)(F)F 1835928042 CFTWRMUCHJPZIQ-HXUWFJFHSA-N 496.251 -0.498 50 20 JBGD CC(C)(C)c1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)[nH]n1 1837988890 OETDLZKRAZOIDS-HSZRJFAPSA-N 470.335 -0.229 50 20 JBGD O=C(NCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2)c1cccnc1 1839198542 HQCZIYBIQZUYBJ-QAPCUYQASA-N 473.299 -0.042 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn(C)c3C(F)(F)F)C2)C1 1840183742 WXDUKMBJBKOHKS-IBGZPJMESA-N 490.483 -0.118 50 20 JBGD C[C@H](Nc1cccnc1)C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840183923 HZZMNLRSFVQLHG-JTSKRJEESA-N 462.551 -0.289 50 20 JBGD Cn1cc(Br)cc1C(=O)NNS(=O)(=O)c1cnc2c(c1)c(O)nc(=O)n2C 727749053 HDJGHWYRPQWRGG-UHFFFAOYSA-N 457.266 -0.242 50 20 JBGD CCn1cnc2c1c(=O)n(CC(=O)NNC(=O)CNCC(F)(F)F)c(=O)n2Cc1ccccc1 727754062 CQCBNSVTHBASSL-UHFFFAOYSA-N 481.435 -0.273 50 20 JBGD CS(=O)(=O)Cc1ccc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)o1 751044503 YJLAGQDLNZVSQA-UHFFFAOYSA-N 471.513 -0.080 50 20 JBGD COC(=O)c1cc(S(=O)(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)ccc1O 917718010 CATZDPCQATXLMP-UHFFFAOYSA-N 499.523 -0.177 50 20 JBGD COCCOCCOCCOCCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1781380119 KMBFAKVXJMYORG-XLIONFOSSA-N 466.959 -0.498 50 20 JBGD CSCC[C@H](O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2 1782227490 KEJHUONMCOQPRL-WAOWUJCRSA-N 450.366 -0.392 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)c3cnc4ccc(F)cn34)C2)C1 1782459975 KMHIKSVOEUXNFL-JOCHJYFZSA-N 452.251 -0.090 50 20 JBGD O=C(Cc1ccc2c(c1)CCO2)N1CC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1783417279 GCJYTPFTUXLZSE-DEOSSOPVSA-N 450.300 -0.013 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc(CS(C)(=O)=O)nc1)CCO2 1783933810 HNZHDUIJUKCJSJ-NRFANRHFSA-N 481.575 -0.557 50 20 JBGD C[C@H](NC(=O)c1ccc(F)cc1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786981878 OBMICZCOYCVDKY-UYIIBVGGSA-N 497.332 -0.083 50 20 JBGD COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1791233623 CUALHZWYGPNIOU-RQUKQETFSA-N 470.331 -0.285 50 20 JBGD CCS(=O)(=O)N[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)CBr 1792868827 QUZIEYRSAOVYGN-XGFWRYKXSA-N 454.387 -0.065 50 20 JBGD CC(C)(C)OC(=O)N[C@H](CCO)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(B(O)O)cc1)C2 1793246114 KVIQPSDGAQUHBJ-FCGDIQPGSA-N 475.351 -0.106 50 20 JBGD Cn1ncc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)c1C(F)(F)F 1797749529 CCZSKTOHJXHWMO-QHBPRCKVSA-N 481.435 -0.046 50 20 JBGD C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)[S@@](=O)c1ccccc1 1800213295 VCYAZZWCCCYEEO-QXXVSFSESA-N 470.356 -0.234 50 20 JBGD O=C(NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)c1cc(CO)on1 1811590043 OTRFKMHJEQFGHP-OXQOHEQNSA-N 450.260 -0.125 50 20 JBGD O=C(COc1cccnn1)N[C@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815347502 ADNYESUPUIOPHZ-AWEZNQCLSA-N 453.289 -0.082 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)CN3CCOC3=O)CC2)CC1)c1cccc(B(O)O)c1 1834800444 HCPIZWKDYFCEQS-UHFFFAOYSA-N 458.324 -0.996 50 20 JBGD Cc1nc2ccc(F)cn2c1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835939291 KUCDQQNMYALPDL-XMMPIXPASA-N 496.304 -0.155 50 20 JBGD Cc1nc(F)ccc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837459374 NLIFAFFZXXMSTE-QFIPXVFZSA-N 472.477 -0.089 50 20 JBGD CC(=O)N(C)[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1837920200 HNQALLIFSVGZPC-INIZCTEOSA-N 459.352 -0.155 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCC(=O)N3)C2)C1 1838528248 MQGHRBVBAIRSLH-VGOFRKELSA-N 490.469 -0.131 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(-n3ccnc3)ccn1)CCO2 1838794068 AEIVATASIUAOHT-XMMPIXPASA-N 491.313 -0.669 50 20 JBGD Cc1ncc(CC(=O)N2CCOC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)s1 1840185097 KZESPMBWIFFPES-HXUWFJFHSA-N 453.565 -0.177 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4nn[nH]c4c3)C2)C1 1840185810 XTFVKJDHMCSOQF-NRFANRHFSA-N 459.507 -0.599 50 20 JBGD O=C(CNC(=O)c1ccco1)NNC(=O)CNS(=O)(=O)c1ccc(Br)s1 725741597 SEULWQMAIKSAEP-UHFFFAOYSA-N 465.307 -0.041 50 20 JBGD COCCNS(=O)(=O)c1ccc(CNC(=O)NNC(=O)CNC(=O)c2ccco2)cc1 725871969 TUCXHETXEAAOFQ-UHFFFAOYSA-N 453.477 -0.535 50 20 JBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2)c1cc2ncccn2n1 1778974696 HGMVYIZNOZWOCQ-AUSIDOKSSA-N 463.303 -0.150 50 20 JBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2)c1cc2ncccn2n1 1778975707 ZSEUPFKTMZFKEQ-AUSIDOKSSA-N 463.303 -0.150 50 20 JBGD CC(=O)N[C@H](C(=O)N1CC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1)c1ccc(F)cc1 1780907500 AYQRWSAQOONBSV-XUZZJYLKSA-N 483.305 -0.174 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3O)C2)C1 1781116061 ZUHQLVDYVKPYNG-HKARXFIJSA-N 497.593 -0.583 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCc2ccc(O)nn2)C1 1781468451 JYHBBNCWKMSTDT-WZONZLPQSA-N 483.529 -0.059 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(CCN(C(=O)CCNC(=O)c3ccccc3)C2)C1 1785331828 DGMJBFZEXONBLL-XMMPIXPASA-N 480.525 -0.051 50 20 JBGD CC(C)(C)OC(=O)N1CC(F)(C(=O)N2CC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)C1 1785684129 PGVKYBUPWIFWKW-QFIPXVFZSA-N 491.325 -0.231 50 20 JBGD CN[C@@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C[C@@H]21)C(=O)O 1786896908 GZHYIEPVZIYIMF-PGADULOUSA-N 462.507 -0.837 50 20 JBGD CCOc1cnc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)cn1 1786980111 KDVQOYBMYSWWBU-IEZWGBDMSA-N 454.292 -0.538 50 20 JBGD Cn1c(=O)n(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)c2ccccc21 1788138776 UTOSYEYJZXAGGO-JLMWRMLUSA-N 492.341 -0.687 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3ccc(O)nn3)C[C@@H]21 1788610039 YIZMJZURQAXQTR-KKXDTOCCSA-N 469.502 -0.593 50 20 JBGD COC(=O)[C@@H]1CC[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)C1 1797748497 FJYBRTVPRIIQAL-ZURLZEQWSA-N 459.503 -0.522 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1nn[nH]c1C(F)(F)F 1798710206 HLEWQPSOMXBHSU-PTEHBNRSSA-N 453.186 -0.980 50 20 JBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C[C@@]13C(=O)Nc1ccccc13)C2 1801013115 VPUSDFQMNMEJKB-MXOIYWEBSA-N 469.542 -0.141 50 20 JBGD CC(=O)N(C)[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807365206 XBUXCYAULWMABH-JJXUHFIVSA-N 452.320 -0.052 50 20 JBGD COc1ncc(Cl)cc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1829584151 ITFCCLMAVFHNOS-QFIPXVFZSA-N 489.721 -0.193 50 20 JBGD COC(=O)c1ccc(OCC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)cc1 1830738515 QLKLMEZFPDRDGQ-UTKZUKDTSA-N 470.906 -0.092 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCc3ccccc3[C@H]1O)CCO2 1830821336 DMESHMJCYIBOQW-ZEVJAHDQSA-N 494.353 -0.268 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3cnc[nH]3)CCO2)C1 1832811468 OPWRYWSSJBVFNX-OAQYLSRUSA-N 457.491 -0.889 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1)[C@@H](O)c1ccco1 1833090105 CNDVYWVVCJYCAB-NRFANRHFSA-N 455.320 -0.122 50 20 JBGD COc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)s1 1833418276 CEZCPUSRPBWCRQ-OAQYLSRUSA-N 460.317 -0.180 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)c1ncc(Cl)cn1)CCO2 1833785984 RXQNTSGWVFIWDV-HXUWFJFHSA-N 460.683 -0.806 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnn(C)c1C)CCO2 1834423544 GHSGJDYIBIAIAG-BHSKHCGUSA-N 471.518 -0.067 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)c3cc(Cl)cc4nn[nH]c34)C2)C1 1835931085 FKWSBRGIZVCKJY-QFIPXVFZSA-N 499.720 -0.325 50 20 JBGD O=C(C/N=C/c1ccco1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835937965 CSLLHLMTCQAXGL-XUHCNCODSA-N 455.276 -0.852 50 20 JBGD CC[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835940035 UFXUNQHLBAFLAG-LPHOPBHVSA-N 469.141 -0.390 50 20 JBGD CN1N=C(C(=O)N2CCC(OC3CCN(C(=O)c4cnccc4C(=O)NN)CC3)CC2)CCC1=O 1837057103 KBZFVHOFYLZCJQ-UHFFFAOYSA-N 485.545 -0.095 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1837458776 BGVWFFZZZWXSHN-LRWUZORYSA-N 470.486 -0.533 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/c3cnccn3)C2)C1 1837460753 JTVNBTQYWBVTOV-RDUCDJESSA-N 467.486 -0.742 50 20 JBGD C=CC(=O)N[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C2)C1 1837697296 LWNSYZPRIWVFNN-MNEFJFGXSA-N 474.518 -0.733 50 20 JBGD Cc1nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)sc1C 1838406857 DSEASBDIMAXUIY-OAQYLSRUSA-N 459.333 -0.176 50 20 JBGD C[C@@](Cl)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3C(=O)CNC3=O)C2)C1 1839150751 WOXCWQAOMWFHCS-SJORKVTESA-N 451.307 -0.769 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CNC(=O)C1)CCO2 1839873093 VHKFFMSNMIJIIS-QRQCRPRQSA-N 490.469 -0.274 50 20 JBGD CN(CCCNC(=S)NNC(=O)CSc1nn(C)c(=O)n(C)c1=O)c1ccccc1 726448185 CFUOZHMYBYHGJT-UHFFFAOYSA-N 451.578 -0.407 50 20 JBGD Cc1nc(S(=O)(=O)NCCC(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)cn1C 728215197 XSCAJYGABZXUFH-UHFFFAOYSA-N 499.619 -0.524 50 20 JBGD O=C(CNS(=O)(=O)c1cccc(Br)c1)NNC(=O)[C@@H]1CCS(=O)(=O)C1 732308033 RJUFIGCXGAYOKV-SECBINFHSA-N 454.324 -0.691 50 20 JBGD Cc1csc(CC(=O)NNC(=O)COC(=O)CNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)n1 762255296 ZRJBJSOBIDQTLD-UHFFFAOYSA-N 497.555 -0.635 50 20 JBGD CC(=O)N[C@H](C(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1)C(C)(C)C 1779028667 HIZRHYHYMGNNQP-VGSWGCGISA-N 460.535 -0.321 50 20 JBGD COC(=O)CSCC(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779029710 XMPRXZDPWTWNAF-LJQANCHMSA-N 451.505 -0.965 50 20 JBGD C[C@H](C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1)n1ccccc1=O 1779032540 SBNOCEQPSLICEF-IVZQSRNASA-N 454.487 -0.449 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@]2(CCN(C(=O)c3cn4[nH]cnc(=O)c4c3C)C2)C1 1780021446 DBPHEMFCWMGSBS-HGQHNSGJSA-N 494.512 -0.091 50 20 JBGD COc1cc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C3)nn1C 1780245538 LRIJRCXSEPVYKC-IIBYNOLFSA-N 450.540 -0.071 50 20 JBGD CN(CC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc(O)nn1)CCO2)NC(=O)NCc1ccccc1 1780969515 HPTGKKJZLIWJGR-QHCPKHFHSA-N 483.529 -0.028 50 20 JBGD CC[C@H](Br)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN(CCO)CCO)C2 1781905194 KEKNFJYAQVEOAO-FRQCXROJSA-N 464.401 -0.040 50 20 JBGD Cc1ccc(S(=O)(=O)CC(=O)N2CCO[C@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)cc1 1783933998 RFVDRVFITXNKLB-QFIPXVFZSA-N 480.587 -0.028 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)[C@@]3(O)CCN(C(=O)OC(C)(C)C)C3)C2)C1 1784011491 OWBBBOSITKPHJG-DHIUTWEWSA-N 497.593 -0.439 50 20 JBGD Cn1ncc(I)c1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)CCl 1792978214 KWYPCHQIPBKVQI-RBLKWDMZSA-N 482.706 -0.172 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]cc1I)C2)[C@@H](O)CCl 1792981291 STTDWGLKQOXVDD-OEIWMXHLSA-N 468.679 -0.183 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)NCCC#N 1795598409 PUEWUKAIRIEOSJ-OZPPHJKRSA-N 457.535 -0.008 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc(-c3ccccn3)nc1)C2)c1cccc(B(O)O)c1 1795737301 QJKPQZMTVACVMW-RMFSNUHRSA-N 473.298 -0.265 50 20 JBGD COc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)c(O)c1OC 1795739886 MUMPUHUTIZKSKE-CCWDJLKJSA-N 470.287 -0.394 50 20 JBGD O=C(NCC(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1)c1cccnc1 1807364572 STYBHWNPBYDNNR-XXBNENTESA-N 487.325 -0.094 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1CCN(C(=O)CN2CCOC2=O)[C@H]1c1cccnc1 1810295003 PEGLKMOLPRBKRL-KXBFYZLASA-N 467.486 -0.148 50 20 JBGD NNC(=O)c1ccncc1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CN1CCCC1=O)CC2 1819795210 KBJZUWHWJNDDJI-NSHDSACASA-N 457.516 -0.010 50 20 JBGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CCC(=O)NN(C)C)CC2 1826089382 AUNFWHUMSXCOOX-LBPRGKRZSA-N 453.569 -0.199 50 20 JBGD CC(=O)N1CCN(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1827051948 KVEAAHQZYWRLLG-QHCPKHFHSA-N 484.406 -0.236 50 20 JBGD CN(CC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cnccc2C(=O)NN)CC1)C(=O)C(=O)O 1828924561 SIHJTUBBYVCXLW-QGZVFWFLSA-N 474.518 -0.539 50 20 JBGD C[C@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3nc(N)n[nH]3)C2)C1 1830539262 FWCRCHDSLTUIOH-PXAZEXFGSA-N 459.345 -0.193 50 20 JBGD CCC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(=O)n4[nH]cnc4n3)C2)C1 1831647252 SVMYRNLESOKNRC-YJYMSZOUSA-N 452.899 -0.105 50 20 JBGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(S(C)(=O)=O)cn3)CCO2)C1 1833599632 PZSZMSRCDKWPPL-DNVCBOLYSA-N 475.951 -0.191 50 20 JBGD Cc1cccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)c1 1835039356 IQAVPJDFHJWODT-XMMPIXPASA-N 452.316 -0.012 50 20 JBGD CNc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)cc1 1835604910 LKQMPIZVJAZVOY-HSZRJFAPSA-N 453.304 -0.208 50 20 JBGD Cc1cc(C(N)=O)cc(C)c1C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835930509 KWKVJNMVIDORAN-RUZDIDTESA-N 495.341 -0.534 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)c3cc4cccnc4[nH]3)C2)C1 1835937153 QKMIZILBBNPOQH-QHCPKHFHSA-N 464.287 -0.374 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cncc(F)c3)C2)C1 1837456848 OHFSCUNUMGRKCE-NRFANRHFSA-N 458.450 -0.397 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCC(OC2CCN(C(=O)[C@@H]3CNC(=O)C3)CC2)CC1 1838394696 OLBPAPHJABWGFV-AWEZNQCLSA-N 458.519 -0.567 50 20 JBGD C[C@H](Br)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)N1CCN(C)CC1)CCO2 1839104743 JGKIXKIQSWSPJT-FCEWJHQRSA-N 461.401 -0.138 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)NC=O)CCO2 1839163655 JZHRSKFUYVVBJL-SZNDQCEHSA-N 478.458 -0.275 50 20 JBGD CCN(CC)C[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1839677668 HTRCRHNHEODRTN-SBUREZEXSA-N 476.578 -0.267 50 20 JBGD C[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc4ncccn4n3)C2)C1 1840032861 MHRCJIKXFZMTTB-SJKOYZFVSA-N 453.297 -0.022 50 20 JBGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)NC(=O)c3cnccn3)C2)C1 1840034037 YLBCHTXWPZJXSS-NJSLBKSFSA-N 484.351 -0.165 50 20 JBGD C[C@H](Cc1ccccn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1840332199 OQYXXHNDICLSMN-KOSHJBKYSA-N 467.331 -0.290 50 20 JBGD CN(C)C(=O)c1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)c1 1840788263 DTNYETOEDULLRW-VWLOTQADSA-N 495.341 -0.548 50 20 JBGD O=C(CNC(=O)c1cccs1)NNC(=O)CNS(=O)(=O)c1ccc2c(c1)OCCCO2 725902886 WNXRQDTZLOBGRO-UHFFFAOYSA-N 468.513 -0.235 50 20 JBGD CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)NNC(=O)CNC(=O)c1ccco1)n2C 751204684 MHUNAEWDWQPVTH-UHFFFAOYSA-N 476.515 -0.073 50 20 JBGD O=C(COC(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)NNC(=O)[C@H]1COc2ccccc2O1 794505296 QXXWDBULIRBCOV-KOSHJBKYSA-N 494.460 -0.090 50 20 JBGD O=C(NNC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)c1ccc(-n2cnnn2)cc1 913156145 VRIHRKBKXAWIPL-UHFFFAOYSA-N 475.462 -0.103 50 20 JBGD COC(=O)c1ccc(Br)c(S(=O)(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)c1 917730541 CRGVFNYTXBSQQR-VIFPVBQESA-N 455.308 -0.020 50 20 JBGD Cn1c(=O)n(CC(=O)N2CC[C@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)c2ccccc21 1778165195 VICMGLXFKOOFOU-DEOSSOPVSA-N 478.314 -0.837 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc3c(c1)NC(=O)CO3)CCO2 1783935285 PPLSSPARLKOQTE-JOCHJYFZSA-N 459.503 -0.166 50 20 JBGD CN(CC(=O)N1CCO[C@@]2(CCN(C(=O)CCn3ccnn3)C2)C1)NC(=O)NCc1ccccc1 1784534156 XFRHLMUHCOXIPE-HSZRJFAPSA-N 484.561 -0.156 50 20 JBGD C[C@@H](Nc1nccs1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1787485736 VXLFEBMGXYILRP-KCMWZYNZSA-N 458.349 -0.083 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnn4cccnc34)[C@H]2C1 1788292503 XCXRGXFHRJCVLQ-KKXDTOCCSA-N 464.486 -0.365 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cccc([N+](=O)[O-])c3=O)[C@H]2C1 1790655007 FGCMUZYLFXZYOF-ZOBUZTSGSA-N 478.506 -0.891 50 20 JBGD C[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCS(=O)(=O)CC1 1793838900 VIALMMOMBPSJJH-GUIRCDHDSA-N 452.371 -0.910 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCc3sccc3C1)C2)c1ccc(B(O)O)cc1 1795732920 QQFYEXQAKFCHRQ-OPMZPASUSA-N 469.372 -0.311 50 20 JBGD COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795740921 PWMKDYKHFIXQHP-ZRSLWSEBSA-N 456.304 -0.675 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1cccc(OC2CCOCC2)n1 1798373744 DAQAFRGUPWSQOX-FEJSZKPUSA-N 495.341 -0.164 50 20 JBGD CN(CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NN(C)C(=O)CC1)C2)NC(=O)NCc1ccccc1 1799095474 ZQCLBTPTMISZFU-OPMZPASUSA-N 499.572 -0.470 50 20 JBGD O=C(CCN1C(=O)C=CC1=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1803916315 LYLRMCNZFREWME-MBSDFSHPSA-N 476.298 -0.604 50 20 JBGD CN1CCN(C2(C(=O)N3CC[C@H](CNC(=O)c4ccc(B(O)O)cc4)[C@@H]3c3cccnc3)CC2)CC1 1807363123 ATKVZHZMUIFDLH-GGAORHGYSA-N 491.401 -0.139 50 20 JBGD C[C@H](C(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1)N1CCN(C)CC1 1807862937 ILMREQXTVYXJGA-JZWVFAODSA-N 479.390 -0.283 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H](CNC(=O)C2=NNC(=O)C2)[C@H]1c1cccnc1 1810223568 PHJSQWOFPPFUFZ-FZKQIMNGSA-N 450.459 -0.724 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CNC2=O)CC1 1824905364 YMWZAWWUONKZPH-INIZCTEOSA-N 450.540 -0.469 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(S(C)(=O)=O)c1)CCO2 1830181958 CGYSAMZJDXKFJG-JOCHJYFZSA-N 496.586 -0.467 50 20 JBGD Cn1ncc(Br)c1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830728417 SZCSVINIUKZXHD-LRDDRELGSA-N 465.732 -0.148 50 20 JBGD Cn1cnc(C(=O)NC2CCN(C3CCN(C(=O)c4cnccc4C(=O)NN)CC3)CC2)n1 1834088124 NTZVGKNHSVMROF-UHFFFAOYSA-N 455.523 -0.687 50 20 JBGD CSCC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835927875 ZFAZJSSGJMDBIW-NRFANRHFSA-N 450.366 -0.174 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)c3cccc4[nH]ncc34)C2)C1 1835928374 MYFSYPFZHMGEBS-QHCPKHFHSA-N 464.287 -0.374 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCC(OC2CCN(C(=O)c3cc[n+]([O-])cc3)CC2)CC1 1837919218 RAMICPMCWGRRHG-UHFFFAOYSA-N 453.304 -0.074 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc4snnc4c3)CCO2)C1 1838508527 BUQSNZJANDTZMV-NRFANRHFSA-N 498.525 -0.531 50 20 JBGD O=C(Cc1c(F)cccc1F)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1838994751 VVWUIKZYQJSCRZ-QHCPKHFHSA-N 474.269 -0.043 50 20 JBGD C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1)N1CCN(C)CC1 1839105703 ITRAPPDAUNRHED-HDMKZQKVSA-N 465.364 -0.231 50 20 JBGD N#C/C(=C\c1ccc(F)cc1F)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(N)=O)C2)C1 1839743792 VKIAYMAXQITWAE-JMDQKNPTSA-N 463.441 -0.004 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CNC(=O)C1)CCO2 1839873092 VHKFFMSNMIJIIS-OYHNWAKOSA-N 490.469 -0.274 50 20 JBGD C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1)n1cccc1C=O 1840183914 HTZDJWZGPWLTTK-VGOFRKELSA-N 463.535 -0.309 50 20 JBGD O=C(NNC(=O)c1cnc2sccn2c1=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 15633295 OZRXBKGWGYWWJP-UHFFFAOYSA-N 463.497 -0.148 50 20 JBGD CSCC[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)N1CC[C@@H](B(O)O)C1 864233145 HJXXDYXMLYDKQE-AEFFLSMTSA-N 499.420 -0.366 50 20 JBGD Cn1nc(C(=O)N2CC[C@@]3(CN(C(=O)c4cnccc4C(=O)NN)CCO3)C2)c2c1CCC2 1777963017 BLCSHFIJULGQTC-QFIPXVFZSA-N 453.503 -0.335 50 20 JBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2)c1cnc2ncccn12 1778650000 AZNMVMGXSYMAFH-AUSIDOKSSA-N 463.303 -0.150 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)c3ccccc3-n3nccn3)C2)C1 1781837375 KQEDJNPDFSEQQR-HSZRJFAPSA-N 461.287 -0.296 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)[C@@H]3CC(c4ccccc4)=NN3)C2)C1 1782600111 OJNDNWATVSZPAS-XUZZJYLKSA-N 462.315 -0.424 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3ccc(O)nn3)C[C@@H]21)c1ccc(B(O)O)cc1 1786983792 SKNVNLOBEUXJJM-SNRMKQJTSA-N 454.292 -0.912 50 20 JBGD COc1nc(C)ccc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1789013450 LIOUZVDDSHAEGR-VDGAXYAQSA-N 453.304 -0.014 50 20 JBGD C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1791155613 NEAMHLMDVNCVBH-XIVBQZFQSA-N 475.351 -0.127 50 20 JBGD CN(C)c1cccc(OCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)c1 1793857275 MXYJQOPRCRXOPI-FEJSZKPUSA-N 467.331 -0.285 50 20 JBGD Cn1c(=O)n(C)c2cc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)c3cccc(B(O)O)c3)ccc21 1795739284 ZJINECCARQEVJB-UPHUGPLXSA-N 478.314 -0.926 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)N1CCN(C)CC1)C2 1796443821 LSVWHZCQIPBTHN-ZRPKMVPDSA-N 473.578 -0.654 50 20 JBGD COc1cncc(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)c1 1797749777 RKCDGBQNLUUGGZ-VPTLXERWSA-N 468.514 -0.075 50 20 JBGD CC(C)(C)OC(=O)N1C[C@]2(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)[C@@H](O)CCl)C4)C[C@H]1CO2 1799157078 ZVHKQZIQKNMGGD-VLMUSUEPSA-N 473.954 -0.046 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)C[C@H]2NC(=O)NC2=O)[C@@H]1c1cccnc1 1804350473 ZIYWJSZOPKNTTJ-CLCXKQKWSA-N 459.507 -0.942 50 20 JBGD O=C(CN1C(=O)C=CC1=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1813172000 HXLZHMJRKMQYFI-HTAPYJJXSA-N 462.271 -0.994 50 20 JBGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CCNC(=O)c3ccc[nH]3)CCO2)C1 1832881778 SFZJBEVKXIUJND-QRWLVFNGSA-N 456.927 -0.155 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)CC(F)(F)C(=O)O)CC2)CC1)c1cccc(B(O)O)c1 1834800136 RUCJBVDEXBBVJS-UHFFFAOYSA-N 467.278 -0.338 50 20 JBGD CC(C)(C)n1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)cn1 1835927167 JVVGXGKKCUMEIF-HSZRJFAPSA-N 470.335 -0.298 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)c3ccccc3)C2)C1 1835929617 YULQOQATQFOIHF-NZQKXSOJSA-N 454.288 -0.830 50 20 JBGD O=C(c1ccc2cncn2c1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835936784 DLUYRLUWYONWHM-HSZRJFAPSA-N 464.287 -0.602 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(O)cn3)C2)C1 1837456757 NARRKGFUDZWEOU-NRFANRHFSA-N 456.459 -0.831 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(Br)CC3)C2)C1 1837459338 DAPNKQZGZRSSCP-SFHVURJKSA-N 482.335 -0.317 50 20 JBGD CNC(=S)NCCC(=O)N1CCO[C@]2(COCCN(C(=O)CCBr)C2)C1 1837464073 HWKNMCZSJBMPMJ-INIZCTEOSA-N 451.387 -0.288 50 20 JBGD O=C(/C=C\C(=O)N1CCC(OC2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1)NC1CC1 1837919149 JYHNNGMFHFIVSJ-FPLPWBNLSA-N 469.347 -0.187 50 20 JBGD CCNC(=O)N[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1837921304 WRRDVTTVRASSSS-MRXNPFEDSA-N 474.367 -0.314 50 20 JBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](COC(C)=O)OC(C)=O)C2)C1 1840153166 GKTKZFPMKMEKAZ-FCEWJHQRSA-N 464.899 -0.809 50 20 JBGD Cn1c(=O)c2c(ncn2CC(=O)N2CC3(CCCN3C(=O)CCBr)C2)n(C)c1=O 1842637326 BEKGHZGWIDWUTL-UHFFFAOYSA-N 467.324 -0.578 50 20 JBGD CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@H](C(=O)N2CC3(CCCN3C(=O)c3cccc(B(O)O)c3)C2)C1 1843014114 YPPDJOAPMIGKEA-RBUKOAKNSA-N 487.362 -0.199 50 20 JBGD COc1ccc([C@]2(C)NC(=O)N(CC(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)C2=O)cc1 23787515 SOMOQGAJQJREAD-NRFANRHFSA-N 464.442 -0.101 50 20 JBGD Cn1c(=O)c2cc(C(=O)NNC(=O)CCN3CCN(c4ccccc4)CC3)n(C)c2n(C)c1=O 919685922 FDIJVYVRIHCVIN-UHFFFAOYSA-N 467.530 -0.451 50 20 JBGD Cc1cn2c(=O)c(C(=O)N3CC[C@]4(CN(C(=O)c5cnccc5C(=O)NN)CCO4)C3)cnc2s1 1777989083 ROJPKDQFLIOOOP-JOCHJYFZSA-N 497.537 -0.180 50 20 JBGD Cc1cc(NC(=O)CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2ccc(B(O)O)cc2)C3)no1 1778074396 JGRSNPGMJKFNMW-WZONZLPQSA-N 484.318 -0.181 50 20 JBGD C[C@H](Nc1cnccn1)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779031914 HLFGMPFTIMJHQR-LHSJRXKWSA-N 454.491 -0.581 50 20 JBGD C[C@@H](CBr)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CN(CCO)CCO)C1 1781836246 UFQMOTMLGHBZHA-FRQCXROJSA-N 464.401 -0.182 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)COC(=O)C(F)(F)F)C[C@@H]21)c1ccc(B(O)O)cc1 1786979679 KOOXXXVPNBXKET-QEJZJMRPSA-N 458.198 -0.935 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CC[C@H]4CCC(=O)N4C3)C[C@@H]21)c1ccc(B(O)O)cc1 1786981869 NTVRDEXGNASWOR-DIZVHYTASA-N 469.347 -0.639 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc4ccc(F)cn4n3)C[C@@H]21)c1cccc(B(O)O)c1 1786985008 JDCKBZJWCCBSAA-WBAXXEDZSA-N 467.266 -0.545 50 20 JBGD COc1cccnc1CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797749776 RJRQHACUSZDPDA-USGNIVHTSA-N 468.514 -0.075 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1nc(O)n2c1CCCC2 1797984226 JETDOGXXQALMRU-JLVBRIDZSA-N 454.292 -0.878 50 20 JBGD O=C(CN1CCCC1=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1806920233 FSRGCTMJEUVRDG-PGRDOPGGSA-N 450.304 -0.297 50 20 JBGD CN(C)C(=O)NCC(=O)N1CC[C@H](CNC(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1810294663 LXGZAKVMKPPFIE-DNVCBOLYSA-N 468.518 -0.329 50 20 JBGD CCNC(=S)NCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CCC(=O)NN(C)C)CC2 1824510245 WKZHQUIFFITEER-NSHDSACASA-N 455.610 -0.088 50 20 JBGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CN1CCS(=O)(=O)CC1)CC2 1826083439 NLFSVFDHZDAVFP-ZDUSSCGKSA-N 486.620 -0.842 50 20 JBGD O=C(Cn1ccncc1=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827060410 HNQCIJJKYOOFLS-HXUWFJFHSA-N 452.320 -0.143 50 20 JBGD O=C(CCBr)N1CCOC[C@]2(C1)CN(C(=O)CCN1C(=O)C=CC1=O)CCO2 1832019405 MQYVXKYQCXTLJI-SFHVURJKSA-N 458.309 -0.457 50 20 JBGD COc1cc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)ccn1 1832594398 HAYYYDOWHPZSBI-XMMPIXPASA-N 483.330 -0.527 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1)c1ccc(O)cn1 1834335613 RKWKXHAYQYBOBL-UHFFFAOYSA-N 452.320 -0.034 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)[C@@H](O)c3ccco3)CC2)CC1)c1cccc(B(O)O)c1 1834800674 XPCGLOAKSULKDI-NRFANRHFSA-N 455.320 -0.122 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)c1ccccc1)CCO2 1835297504 PUIUMAKYFFJUQR-NFBKMPQASA-N 454.288 -0.830 50 20 JBGD COc1cscc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835928690 VSJSYANJWGCJAR-OAQYLSRUSA-N 460.317 -0.180 50 20 JBGD Cc1ncc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)s1 1835934513 WMAZIEYVTPTCIZ-OAQYLSRUSA-N 459.333 -0.556 50 20 JBGD O=C(Cn1ccncc1=O)N1CCC(OC2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1837920335 ZVANNSVLKIUPIN-UHFFFAOYSA-N 468.319 -0.765 50 20 JBGD O=C(CNC(=O)C(F)(F)F)N1CCOC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839202661 MHZCZSYZFQVEKU-GWCFXTLKSA-N 464.210 -0.188 50 20 JBGD COc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)c(F)c1 1839290997 JGFKSZYKPXCBDD-QHCPKHFHSA-N 472.278 -0.102 50 20 JBGD O=C(CCBr)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCCS1(=O)=O)CCO2 1839781029 CUDNTYJAYPEJRK-XJKSGUPXSA-N 453.355 -0.195 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn(C)nc3C(F)F)C2)C1 1840184619 XWUYPHPPANTOJK-FQEVSTJZSA-N 472.493 -0.199 50 20 JBGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)NC[C@H]1CN2CCC[C@@H]2CO1 729617792 HBZCGJBCHVWATQ-MOPGFXCFSA-N 495.602 -0.166 50 20 JBGD C[C@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2)n1ccccc1=O 1779526172 WFJGPNMHJSIKNL-WSCWJOSJSA-N 467.331 -0.083 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc3n(n1)CCNC3=O)C2 1782210911 YXYCTPFOFZBTPP-VGOFRKELSA-N 475.550 -0.873 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@]2(CCN(C(=O)CNC(=O)C(F)(F)F)C2)C1 1783979408 NDVNXLPMXFTBIH-SAMQYFKISA-N 472.424 -0.371 50 20 JBGD Cc1nc2ncccn2c1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21 1787980323 NBEXEHWUDBKLLY-WBAXXEDZSA-N 478.513 -0.057 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)[C@@H]1CC[C@H]2CCC(=O)N2C1 1789768692 FWJJZSPMTDMLST-DIZVHYTASA-N 469.347 -0.639 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(=O)n4[nH]cnc4n3)C[C@@H]21)[C@@H](F)Br 1789922874 STDTWLNRKVHGAU-LKAMGYQZSA-N 457.260 -0.299 50 20 JBGD C[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]c2c1CS(=O)(=O)C2 1795930247 WKPRUXBCXYJOOK-XHSYRHOGSA-N 461.338 -0.175 50 20 JBGD C[C@H](NC(=O)c1cnccn1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1 1796188883 XHNXOCKAZNSIGM-RUGDWHBFSA-N 451.292 -0.773 50 20 JBGD C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1802127484 PZNDFSUXBNUEAR-HNJRGHQBSA-N 485.346 -0.514 50 20 JBGD O=C(NC[C@H]1CCN(C(=O)c2cccc(=O)n2O)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807362329 JZTHFXOGOIALQJ-UTKZUKDTSA-N 462.271 -0.206 50 20 JBGD CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807363418 BYONRTDHMNJKFA-YFVAEKQCSA-N 498.345 -0.076 50 20 JBGD O=C(NC[C@@H]1CCN(C(=O)COc2ccc(O)nn2)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807373852 VAAUGFJPWIBKKY-JTSKRJEESA-N 477.286 -0.344 50 20 JBGD C[C@H](C(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1)[C@@H]1SC(=N)NC1=O 1807375112 LRSWVIWPJJOBRR-QVSURHGTSA-N 495.370 -0.117 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)CN2C(=O)CNC2=O)[C@H]1c1cccnc1 1813067863 GYNGNJXDPSJLJT-QRWLVFNGSA-N 459.507 -0.988 50 20 JBGD C[C@@H](Cn1cncn1)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1820065538 GDTVJVKXNVCRSN-SWLSCSKDSA-N 454.321 -0.024 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCC(=O)NC1)CCO2 1829952591 QQBBEIDJFYFSDH-ZLYBIFGKSA-N 474.518 -0.897 50 20 JBGD CS(=O)(=O)c1cccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)c1 1830719918 OYEMSAWWNMLAHK-QFBILLFUSA-N 460.936 -0.240 50 20 JBGD CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830733558 PFGIGWNRFGGQMC-QEEYODRMSA-N 479.958 -0.682 50 20 JBGD NC[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1)c1ccccc1 1835811629 JSXHNWUHMIIQFU-URXFXBBRSA-N 467.331 -0.821 50 20 JBGD Cc1nc2ccc(F)cn2c1C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835932261 WUYQGUCHNSXWIK-XMMPIXPASA-N 496.304 -0.155 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc4ccnn34)C2)C1 1837460026 QSWPTHNCKBXFIW-QHCPKHFHSA-N 479.497 -0.283 50 20 JBGD CC(=O)OC[C@H](OC(C)=O)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)Br)CCO2 1840033827 SCNLRSSQABLCOS-HNJNHCNJSA-N 479.324 -0.279 50 20 JBGD O=C(NC[C@@H]1CN2CCC[C@H]2CO1)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 729619693 RVPAVRKSAUKPGS-DLBZAZTESA-N 467.548 -0.485 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)c3cn4cc(F)ccc4n3)C2)C1 1778540781 QDCMVDJBZDLYPF-JOCHJYFZSA-N 452.251 -0.090 50 20 JBGD COC[C@@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1CCS(=O)(=O)CC1)C2 1782172080 NKNQCRWGTYUMOS-GPMSIDNRSA-N 466.000 -0.516 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)CCO2 1783933817 HREWKMQHXRZAGL-JOCHJYFZSA-N 480.587 -0.165 50 20 JBGD CC(C)(C)OC(=O)NC1(C(=O)N2CC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)CC1 1785711765 NSADJVFRNVTGAF-QFIPXVFZSA-N 473.335 -0.133 50 20 JBGD CC(C)(C)OC(=O)N[C@H](CCN)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21 1786844627 TWEQXYVLDUHWMQ-RBZJEDDUSA-N 462.975 -0.192 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1787509186 XWXNCXNHYRNRCM-UGIPHMICSA-N 481.318 -0.906 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)[C@H]2C1 1789936032 SQEZNAIBZUBTBE-MHORFTMASA-N 499.609 -0.385 50 20 JBGD CN1CCN(CC(=O)N[C@H]2CCc3nc(NC(=O)CCC(=O)NN(C)C)sc3C2)CC1 1826086485 WPANVONFNZQFBP-AWEZNQCLSA-N 451.597 -0.325 50 20 JBGD CO[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1832004115 PLIQGJBMWYGWQM-PTDBIEIZSA-N 493.985 -0.029 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(CN(C(=O)/C=C/c3cccnc3)CCO2)C1 1833102700 ZYCFOAAYGAFELX-OSFWOZTASA-N 466.498 -0.137 50 20 JBGD COc1ncc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)cc1F 1833483475 AKFDROUWFXDQLI-JOCHJYFZSA-N 473.266 -0.707 50 20 JBGD O=C(CCBr)N1CCO[C@@]2(COCCN(C(=O)COc3ccc(O)nn3)C2)C1 1834825203 UCHNPGFKHFDQRV-KRWDZBQOSA-N 459.297 -0.198 50 20 JBGD COc1ccccc1CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835939590 BLQWJLBOKBDKAL-XMMPIXPASA-N 468.315 -0.312 50 20 JBGD Cc1nccn1[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835939961 QLVWLMHBEBRPTA-ZHRRBRCNSA-N 456.308 -0.797 50 20 JBGD CN(CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1C=CCN1)CCO2)NC(=O)NCc1ccccc1 1836479734 PCJQHFIMALXBDY-RDPSFJRHSA-N 486.573 -0.683 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc4cncn4c3)CCO2)C1 1837122382 HGMSAQSAMHLGOT-QHCPKHFHSA-N 479.497 -0.283 50 20 JBGD Cc1cc(C(=O)NCC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](F)Br)C3)C2)no1 1837549404 UTZZTEZGCMESKF-WMLDXEAASA-N 477.287 -0.140 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cn3c(F)cccc3n1)CCO2 1839556413 UPVBBBXEFWDJFS-JOCHJYFZSA-N 476.509 -0.084 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)c2ccc(N3CCOCC3)cn2)C1 1842265493 BOLLYLJVWCNVJS-UHFFFAOYSA-N 450.304 -0.271 50 20 JBGD CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@H](C(=O)N2CCCC23CN(C(=O)c2ccc(B(O)O)cc2)C3)C1 1843823167 MXOFDEFDWAAOMO-RBUKOAKNSA-N 487.362 -0.199 50 20 JBGD CN(CC(=O)N1CCCC12CN(C(=O)CN(C)C(=O)C(=O)O)C2)NC(=O)NCc1ccccc1 1845039314 DUFRDENDXLWILZ-UHFFFAOYSA-N 474.518 -0.921 50 20 JBGD CS(=O)(=O)NCCNC(=S)NNC(=O)CN1c2cccc3cccc(c23)S1(=O)=O 727068815 LAWNLRNWTDXUSG-UHFFFAOYSA-N 457.559 -0.607 50 20 JBGD COc1cccc(C(=O)NNC(=O)CNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c1O 919755655 OWOKPINQIJBYNN-UHFFFAOYSA-N 450.473 -0.158 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](N)Cc1cscn1)CCO2 1779030475 QTAMRRWOQOHTAL-OXJNMPFZSA-N 459.532 -0.845 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)Cn3cncn3)C2)C1 1779215250 BJLVEMNVCRGDOV-GYBQRJFSSA-N 456.507 -0.122 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCc2nc(N)n[nH]2)C1 1779244886 YFYRSYXGXFNWHD-JLTOFOAXSA-N 450.544 -0.794 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CC[C@@H]4CCC(=O)N4C3)C2)C1 1781055118 QJUVCZWJRXAYIB-LNPFQXMTSA-N 470.530 -0.470 50 20 JBGD COc1cncc(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)c1 1795732752 GKQIBKUYYUXGQO-OPMZPASUSA-N 453.304 -0.394 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(-c2ccncc2)[nH]n1 1798147882 RWPXPDBWEBFWOG-YVWYUNDQSA-N 476.497 -0.013 50 20 JBGD O=C1CC[C@H](C(=O)N2CC[C@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)CN1 1807358835 ABHHATYBEHSWII-LVCYWYKZSA-N 450.304 -0.393 50 20 JBGD CN1CCN(CCC(=O)N2CC[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)CC1 1807365267 UEVHVHFYWVEJSZ-URXFXBBRSA-N 479.390 -0.282 50 20 JBGD NC(=O)c1nccnc1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cccc(B(O)O)c1)CC2 1821036328 PPGKHEXGELAQQM-LBPRGKRZSA-N 466.288 -0.749 50 20 JBGD O=C(CN1CCS(=O)(=O)CC1)N1CCC([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827050373 PIXIEQQBHDHSFM-OAQYLSRUSA-N 491.419 -0.670 50 20 JBGD C[C@@H](O)C(=O)N1CC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCN2C(=O)OCc2ccccc2)C1 1829000540 JEAHNPPIWJEZAG-CJAUYULYSA-N 495.341 -0.187 50 20 JBGD CC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCS(=O)(=O)CC3)CCO2)C1 1832487237 DDAOMQVGKNJFLZ-YJBOKZPZSA-N 451.973 -0.809 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)c3cc4ncccn4n3)CC2)CC1)c1ccc(B(O)O)cc1 1834798627 SDGCXSZEWHDLTQ-UHFFFAOYSA-N 476.346 -0.092 50 20 JBGD O=C1CCc2ccc(C(=O)N3CCOC[C@@]4(CN(C(=O)c5cccc(B(O)O)c5)CCO4)C3)nc2N1 1835935500 HWWRPIRSXHAPFK-XMMPIXPASA-N 494.313 -0.970 50 20 JBGD C[C@@H](Cn1ccnc1)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837461430 WCSSXCHEAFHGCM-AOMKIAJQSA-N 471.518 -0.712 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4ncccn4n3)C2)C1 1840184241 FDQVDIWWWJQHCP-NRFANRHFSA-N 459.507 -0.828 50 20 JBGD COC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)c1ccc(B(O)O)cc1)C2 1843384600 GIWCCBJCDAAEAS-KRWDZBQOSA-N 461.324 -0.277 50 20 JBGD Cn1c(=O)c2c(CC(=O)N3CCCC34CN(C(=O)[C@H](O)CCl)C4)csc2n(C)c1=O 1845013487 BDXNTZDWZZVVLZ-GFCCVEGCSA-N 454.936 -0.356 50 20 JBGD CC(=O)N1CCN(CCOc2ccc(CCNC(=O)NNC(=O)C(=O)N3CCCC3)cc2)CC1 728134886 QUKAOIMFZGZJBT-UHFFFAOYSA-N 474.562 -0.275 50 20 JBGD CC(=NNC(=O)[C@@H](C)NS(C)(=O)=O)c1ccc(S(=O)(=O)N2CCC(C(=O)O)CC2)cc1 728436563 QKBRSPLFJBFHIW-CYBMUJFWSA-N 474.561 -0.050 50 20 JBGD Cc1cc(C)c(S(=O)(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c(C)c1NS(C)(=O)=O 728509762 MLHPXLQSACSAOR-LLVKDONJSA-N 456.568 -0.769 50 20 JBGD O=C(NCCCN1CCN(c2ncccn2)CC1)NNC(=O)c1csc(N2CCOCC2)n1 913638384 LLCGPUDAPBJBOV-UHFFFAOYSA-N 475.579 -0.074 50 20 JBGD Cc1cc(C(=O)NCC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2ccc(B(O)O)cc2)C3)no1 1779432622 QBDZNALVJZKUAD-AUSIDOKSSA-N 484.318 -0.780 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nccc4nc[nH]c34)[C@H]2C1 1787355024 IJNBRGXVLDKOAF-NUTKFTJISA-N 464.486 -0.137 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc4ccccn4n3)C[C@@H]21 1788610254 MWEPCRAZJQKTSR-JQFCIGGWSA-N 464.486 -0.365 50 20 JBGD COCCOCCOCCOCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)CCl 1792978611 IROCHTBRNYUNJA-SFNKJDCFSA-N 466.959 -0.738 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCc3ccccc3O1)C2)c1cccc(B(O)O)c1 1795741056 YOJWYDBSZUXLNM-UDKICSLYSA-N 450.300 -0.037 50 20 JBGD CN(CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1[C@H]3COC[C@H]31)C2)NC(=O)NCc1ccccc1 1799099136 PNACMOGSBVVETQ-FLUYZWHRSA-N 471.558 -0.185 50 20 JBGD C[C@H](C(=O)N1CC[C@H](CNC(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1)n1cnnn1 1810308726 NEUQYCXZSNJTDA-DDUZABMNSA-N 464.490 -0.353 50 20 JBGD O=C(NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)[C@H]1CCCS1(=O)=O 1812495667 BRNWNYSZBYTVNI-DFQSSKMNSA-N 471.344 -0.342 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H](CNC(=O)[C@@H]2CCNC(=O)C2)[C@@H]1c1cccnc1 1813134492 CPHSZJWZFJBRJE-KKVAFCGZSA-N 465.514 -0.074 50 20 JBGD Cc1cccc(/C=C/C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)n1 1829722766 ZYOTZDJHWWHLKX-GTCGAKFVSA-N 465.315 -0.147 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cn3cc(F)ccc3n1)CCO2 1836962327 QKDNLEXKSOARNW-JOCHJYFZSA-N 476.509 -0.084 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837531128 WWPHWOPPXUMETK-IOFJYKPDSA-N 469.539 -0.655 50 20 JBGD C[C@H](C(=O)N1CCC(OC2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1)n1cncn1 1837922146 QXCOJNQJJOSUTJ-MRXNPFEDSA-N 455.324 -0.169 50 20 JBGD O=C(CS(=O)(=O)N1CCCC1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839200338 GCTXMDCDWWAQOE-HOCLYGCPSA-N 486.360 -0.441 50 20 JBGD C[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)COc3ccc(O)nn3)CCO2)C1 1839670762 ZVGBDIGEYMXNSN-SJKOYZFVSA-N 459.297 -0.199 50 20 JBGD CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1840060459 PMFGQFSJWBMWAJ-JXSLOMFPSA-N 491.969 -0.587 50 20 JBGD CCc1noc(C)c1C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840185331 LNYAJMMQUJKPDC-NRFANRHFSA-N 451.524 -0.012 50 20 JBGD COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NNC(=O)Cn2ccc(=O)[nH]c2=O)c1 16176985 APQWLIQKXQLTAX-UHFFFAOYSA-N 473.467 -0.193 50 20 JBGD CCS(=O)(=O)N1CCC(C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)CC1 749969541 IHAUHSKEFJUDEE-INIZCTEOSA-N 455.489 -0.421 50 20 JBGD N#Cc1ccc(S(=O)(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cn1 751259695 CKFUEGRHEXUDQR-UHFFFAOYSA-N 451.486 -0.403 50 20 JBGD CCn1cnc2c1c(=O)n(CC(=O)NNC(=O)CN1CCCC1=O)c(=O)n2Cc1ccccc1 849208718 NKSWYOBIGXHVRG-UHFFFAOYSA-N 467.486 -0.802 50 20 JBGD NC(=O)COc1cccc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c1 912984537 LICQHOOHUCFWNZ-UHFFFAOYSA-N 462.484 -0.354 50 20 JBGD CC(=O)NCCCNC(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 916521469 CJXVGTBKDAMGRS-UHFFFAOYSA-N 455.537 -0.503 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@]2(CCN(C(=O)/C=C\C(=O)NC3CC3)C2)C1 1778831860 YYTFTEHLVDADJZ-RQQAIIPKSA-N 456.503 -0.215 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(-n4c(O)nnc4O)cc3)C2)C1 1780201768 OUEYPZAFXFCXAG-QFIPXVFZSA-N 487.517 -0.505 50 20 JBGD COC[C@@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(=O)n3[nH]nnc3n1)C2 1782170549 PXXVECASWAISMM-AEDCBLDQSA-N 453.887 -0.806 50 20 JBGD CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](O)CCl)C2 1782467291 FZKYEEQVEGOPRG-WOCWXWTJSA-N 455.943 -0.430 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3CC(c4ccccc4)=NN3)C2)C1 1782604125 BYXCELHTYHUWTR-CVDCTZTESA-N 456.547 -0.045 50 20 JBGD CN(CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ncnn3C)[C@H]2C1)NC(=O)NCc1ccccc1 1785851134 DPYYVJIIVKJDDS-FHWLQOOXSA-N 484.561 -0.245 50 20 JBGD COC(=O)c1ccc(OCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)cc1 1792341144 YJFRQVWMIVYQFK-NYVOZVTQSA-N 496.325 -0.175 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CSc1ncccn1 1795837428 YQVMFCWXUICZMT-FVCICTRLSA-N 457.516 -0.529 50 20 JBGD C[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](CCl)NC(=O)OC(C)(C)C)C2)n1cnnn1 1801434697 LNBCZXCOKARMRD-RMEBNNNOSA-N 471.946 -0.044 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@H](CNC(=O)[C@@H]2CNC(=O)O2)[C@@H]1c1cccnc1 1803645639 HLSYXXSSYCFASK-JQFCIGGWSA-N 453.459 -0.492 50 20 JBGD O=C(NC[C@@H]1CCN(C(=O)c2cnncc2C(=O)O)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807360940 MXKPIAGLIWDNGF-JXFKEZNVSA-N 475.270 -0.117 50 20 JBGD O=C(NC[C@@H]1CCN(C(=O)c2cc(CO)on2)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807375365 OCWOFWIXTDLTQI-JXFKEZNVSA-N 450.260 -0.125 50 20 JBGD O=C(N[C@@H]1CCc2nc(NC(=O)[C@H]3CCCS3(=O)=O)sc2C1)c1cccc(B(O)O)c1 1824926982 BNKHMHIEDHDURK-CZUORRHYSA-N 463.346 -0.374 50 20 JBGD O=C(CCc1ccc2c(c1)OCO2)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1835180520 KCYUCJQXAQKHKD-VWLOTQADSA-N 496.325 -0.202 50 20 JBGD COC[C@@H](NC(C)=O)C(=O)N1CCC(N2CCC(NC(=O)c3cnccc3C(=O)NN)CC2)CC1 1835738048 RDZWBPHGQMTCDR-HXUWFJFHSA-N 489.577 -0.979 50 20 JBGD Cc1nc(N)sc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1835804729 UIGLWQKBEWKYQR-FQEVSTJZSA-N 460.321 -0.903 50 20 JBGD CCC[C@H](NC(C)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837460715 JRZHWIIVBHLNJR-PGRDOPGGSA-N 476.534 -0.940 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(-c3ccncc3)[nH]n1)CCO2 1838011858 CILHQWNSWDRMMG-HSZRJFAPSA-N 485.545 -0.085 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc([N+](=O)[O-])cc1F)CCO2 1839277913 REFBGOXBLYWRJT-JOCHJYFZSA-N 487.249 -0.203 50 20 JBGD Cn1ncc(I)c1C(=O)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843011204 BREZZWTWWKKNOO-UHFFFAOYSA-N 494.098 -0.165 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC2(CCCN2C(=O)c2n[nH]c3c2CS(=O)(=O)C3)C1 1843130234 ZXHZPXCGYKNBNN-WSDLNYQXSA-N 473.515 -0.211 50 20 JBGD CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)NNC(=O)CCN2C[C@@H](C)O[C@H](C)C2)cc1 912924760 LZAMHCRBZKTYSP-ZIAGYGMSSA-N 455.537 -0.430 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc4nonc4c3)C2)C1 1777717201 KCZDZSOSZURQTM-OAQYLSRUSA-N 451.443 -0.021 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2 1779373511 XHUQALIKOIWGJG-JLTOFOAXSA-N 472.462 -0.242 50 20 JBGD CN1CC(C(=O)N2CCO[C@@]3(CCN(C(=O)CN(C)NC(=O)NCc4ccccc4)C3)C2)C1 1780970763 YIVXWBWOTKUGPP-HSZRJFAPSA-N 458.563 -0.276 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1CC(=O)N(C3CCCC3)C1)CCO2 1783933661 UQVLYQHAYUETNX-UZUQRXQVSA-N 463.579 -0.020 50 20 JBGD CC(C)(C)OC(=O)N1CC(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)C1 1795734151 GNLKLINVJDHVRJ-IZZQQSIFSA-N 473.335 -0.564 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCc3ccccc3[C@H]1O)C2)c1cccc(B(O)O)c1 1795737653 GFPDPVCUKFUVQK-NQDIBGKZSA-N 464.327 -0.134 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnccc1C(=O)NN 1798440506 YPPVBWDJGFUQFI-LOUJCGABSA-N 476.534 -0.178 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1ccccc1C(=O)OCCO 1798565713 UTOKGWUABQNTBW-UPHUGPLXSA-N 482.298 -0.968 50 20 JBGD CN(C)NC(=O)CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1cn2c(nc1=O)SCC2 1799844009 QFJRJTOTNFMKKV-MUJYYYPQSA-N 462.576 -0.097 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1CCN(C(=O)[C@@H](O)N2CCOCC2)[C@H]1c1cccnc1 1810302428 IXBSUZXUJMWSAN-XWFZLUIHSA-N 483.529 -0.950 50 20 JBGD CCOC(=O)N[C@H](O)C(=O)N1CC[C@H](CNC(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1810303696 XBVNHJOUVGEBQG-WIBUTAKZSA-N 485.501 -0.536 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CN2CC(=O)NC2=O)n[nH]1 1815667923 MLTXYFQFMKINKN-CQSZACIVSA-N 469.462 -0.734 50 20 JBGD O=C(C[C@H]1COc2ccccc2O1)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1831228955 QCYTXBCTWKKBOJ-CPJSRVTESA-N 496.325 -0.334 50 20 JBGD O=C(/C=C\C(=O)N1CCC(N2CCC(NC(=O)c3cccc(B(O)O)c3)CC2)CC1)NC1CC1 1834801133 MYHOOMCEGZQGAI-SREVYHEPSA-N 468.363 -0.614 50 20 JBGD COC[C@@H](NC(C)=O)C(=O)N1CCOC[C@]2(CN(C(=O)CCBr)CCO2)C1 1834823381 QZGVVUCKXXWFIE-PBHICJAKSA-N 450.330 -0.621 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCC(F)(F)C3)C2)C1 1835926002 GYQJNVRCTJQGSO-UZLBHIALSA-N 452.263 -0.128 50 20 JBGD Cc1nc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)ccc1F 1835927537 RQDZXSQFVWTGTO-JOCHJYFZSA-N 457.267 -0.407 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)c3cn4c(F)cccc4n3)C2)C1 1835932235 VFVKFNRUNSSJNO-QHCPKHFHSA-N 482.277 -0.463 50 20 JBGD Cc1nc(C(=O)N2CCOC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)ccc1F 1835935252 KIFUELQEUWJCBT-QFIPXVFZSA-N 457.267 -0.407 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(F)nc3F)C2)C1 1837457140 YGBISUHSLPILFS-NRFANRHFSA-N 476.440 -0.258 50 20 JBGD COc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)c(O)c1 1837459523 HPOIBRVTQGUIGS-HSZRJFAPSA-N 485.497 -0.217 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn4cccnc4n3)C2)C1 1837459656 VFDKDILSHJGUPC-QFIPXVFZSA-N 480.485 -0.888 50 20 JBGD C[C@@H](CN)C(=O)N1CCOC[C@@]2(CN(C(=O)CN(C)NC(=O)NCc3ccccc3)CCO2)C1 1839054346 VFBWFNXFZKYWJP-FDDCHVKYSA-N 476.578 -0.616 50 20 JBGD CCC(=O)C(=O)N1CCCC12CN(C(=O)[C@H](Cc1ccc(B(O)O)cc1)NC(=O)OC(C)(C)C)C2 1845971948 UFMHEXCOQAMANZ-SFHVURJKSA-N 487.362 -0.015 50 20 JBGD COCCn1cnc2c1c(=O)n(CC(=O)NNC(=O)c1ccn(C)n1)c(=O)n2Cc1ccccc1 727369896 WETQHIINRHTDAZ-UHFFFAOYSA-N 480.485 -0.751 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)O)CCO2 1783939358 DLAKRJGDBNCWNE-JPYJTQIMSA-N 499.609 -0.147 50 20 JBGD COc1cnc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)c(F)c1 1786984434 GGUJHJJGSVEERE-FNHZYXHNSA-N 457.267 -0.184 50 20 JBGD O=C1COc2ccc(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)c5ccc(B(O)O)cc5)C[C@@H]43)cc2N1 1788362171 BBEOIZXWEORFEI-MDKPJZGXSA-N 479.298 -0.396 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)C[C@@H]21 1791290826 OTCGRILIGWINHQ-MHORFTMASA-N 499.609 -0.385 50 20 JBGD CC(C)(C)OC(=O)N1CCO[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](O)CCl)C1 1792975256 OVCRLLZEBDVXRR-QRJUGERDSA-N 461.943 -0.188 50 20 JBGD C[C@](O)(CC(=O)O)CC(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1813065667 PFQKQLLPBRXZKD-FRGLQRNOSA-N 469.303 -0.303 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(Cl)nc1F)CCO2 1833264140 AZPULUZJNVVXCV-NRFANRHFSA-N 477.685 -0.062 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)c3cnn4ncccc34)CC2)CC1)c1cccc(B(O)O)c1 1834799940 GWHOJDXRTPIPBZ-UHFFFAOYSA-N 476.346 -0.092 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC1CCN(C2CCN(C(=O)c3cc(CO)on3)CC2)CC1 1835737802 BLZWJIYWKJQUJX-UHFFFAOYSA-N 471.518 -0.336 50 20 JBGD Cc1cccn2ncc(C(=O)N3CCOC[C@@]4(CN(C(=O)c5ccc(B(O)O)cc5)CCO4)C3)c12 1835932319 ZAGOHMRZWSSKED-XMMPIXPASA-N 478.314 -0.294 50 20 JBGD COc1ccc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)cn1 1835933992 JNKLMGLHQIQASD-XMMPIXPASA-N 483.330 -0.527 50 20 JBGD CC(C)c1cc(C(=O)N2CCOC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)n[nH]1 1835938443 VRBJDOSJJBUJFD-QFIPXVFZSA-N 456.308 -0.403 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3ccnn3)CCO2)C1 1836209979 FLUXZTVDFLQJQO-OAQYLSRUSA-N 488.457 -0.118 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(CN(C(=O)/C=C3\C(=O)Nc4ccccc43)CCO2)C1 1837327610 WFVZWTLMVIXMMA-OXRVHCRPSA-N 485.541 -0.149 50 20 JBGD C[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1)C1(O)CCC1 1837457060 WPJNDMKNPKHHMD-BTYIYWSLSA-N 461.519 -0.694 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nccc4nc[nH]c34)C2)C1 1837457648 MECGXNPDWXWLBG-QFIPXVFZSA-N 480.485 -0.660 50 20 JBGD Cc1cc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)no1 1837461539 YGLOZAHLUWOJHK-OAQYLSRUSA-N 458.475 -0.706 50 20 JBGD C[C@](Cl)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](O)N3CCOCC3)CCO2)C1 1837520542 BNPLDTOKEYSKOA-JCGIZDLHSA-N 454.351 -0.670 50 20 JBGD COc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)c(OC)c1 1838878814 MZTCCTNWCFOCBH-DEOSSOPVSA-N 484.314 -0.233 50 20 JBGD O=C(Cc1c(F)cccc1F)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1838994750 VVWUIKZYQJSCRZ-HSZRJFAPSA-N 474.269 -0.043 50 20 JBGD CCOC(=O)N[C@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](C)Br)CCO2)C1 1840033418 COWPRTBBXISSEO-XHBSWPGZSA-N 452.302 -0.709 50 20 JBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CS(=O)(=O)N3CCCC3)C2)C1 1840152634 OLIPUMJKLBXXBW-MAUKXSAKSA-N 467.972 -0.878 50 20 JBGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)C3(N4CCN(C)CC4)CC3)C2)C1 1840154044 IWHANABZJBYTEX-YLJYHZDGSA-N 458.987 -0.523 50 20 JBGD Cc1nccn1CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1840388196 OVPIEOVLIQNYSK-QHCPKHFHSA-N 485.545 -0.260 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(O)cn3)CCO2)C1 1840496718 LMAUOKVXHQQICK-LRULAXNGSA-N 484.513 -0.080 50 20 JBGD CC(=NNC(=O)[C@H](C)NS(C)(=O)=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)O)cc1 728435460 BHFMGRCSJJKSKJ-ZDUSSCGKSA-N 462.550 -0.050 50 20 JBGD O=C(COC(=O)CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)NNC(=O)[C@@H]1COc2ccccc2O1 845919001 RNOHDRUVPDUKJG-NWUWWPBGSA-N 455.423 -0.676 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1c(Br)cnn1C)CCO2 1783935559 VHRYBPSMHKLWCM-GOSISDBHSA-N 471.356 -0.001 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc([N+](=O)[O-])cc1F)C2)c1ccc(B(O)O)cc1 1795737135 WBZMEVQIQIWIAX-VPTLXERWSA-N 471.250 -0.140 50 20 JBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1COCCN1C(=O)OC(C)(C)C 1796336614 XNQVODNDEUGGOE-CLWJZODNSA-N 497.593 -0.415 50 20 JBGD C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2)N1CSCSC1 1797846543 WFOIAKAKOFCKFI-ZXFNITATSA-N 459.638 -0.008 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2)c1ccc(-n2c(O)nnc2O)cc1 1798595338 WZIONMRJMJPKMP-AYRXBEOTSA-N 451.867 -0.519 50 20 JBGD COC(=O)c1ccc(OCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)cc1 1801014368 NLDOXZBRNUURFA-FAQVEIGNSA-N 476.530 -0.185 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)CN2CC(=O)NC2=O)[C@H]1c1cccnc1 1804190823 OCPNFVVRIAYVHV-FOIQADDNSA-N 459.507 -0.988 50 20 JBGD CN1CCN(CCC(=O)N2CC[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)CC1 1807371491 VQQTVDSEGLMNNB-URXFXBBRSA-N 479.390 -0.282 50 20 JBGD CN1C(=O)CC[C@H]1C(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1808758928 UQMLDMTWADJRLR-LMNJBCLMSA-N 450.304 -0.298 50 20 JBGD CC(=O)OC[C@H](OC(C)=O)C(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1810335308 DTEGSNMSMOIBFK-HJNYFJLDSA-N 497.313 -0.424 50 20 JBGD Cc1cn(CC(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc(B(O)O)c3)n[nH]2)c(=O)nc1O 1817479977 YGJNCGSICCRVTR-KRWDZBQOSA-N 480.290 -0.334 50 20 JBGD CCOC(=O)N[C@H](O)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827058260 WFVKTUNRVLTSAZ-RBUKOAKNSA-N 461.324 -0.336 50 20 JBGD O=C(C(O)O)N1CCO[C@]2(COCCN(C(=O)[C@H](Br)Cc3ccccc3)C2)C1 1830404776 SGQRNQYSBQLCHP-BEFAXECRSA-N 457.321 -0.240 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)C(C)(C)C)CCO2 1830622613 HUBSSTHXXQONFW-CUZKIXHZSA-N 463.535 -0.016 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)CNCP(=O)(O)O)CC1 1831870688 CATQYZRIEIOKRR-MRXNPFEDSA-N 461.500 -0.296 50 20 JBGD CN(C)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1833661081 LWFSFWJMXZWSJJ-HSZRJFAPSA-N 468.319 -0.789 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ncccn1)CCO2 1834292366 MRTNSGVQJGNEMB-JAMLUQCHSA-N 455.475 -0.319 50 20 JBGD CCc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)cn1 1835935065 DZROYHAUOKFPIS-HSZRJFAPSA-N 453.304 -0.292 50 20 JBGD CC(=O)N/C(=C\c1ccco1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835939690 YDABPEBMAYQMRK-DNQIBQKISA-N 497.313 -0.793 50 20 JBGD CC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3n[nH]c4c3CS(=O)(=O)C4)CCO2)C1 1836257740 KUSRTAXUEBSDFZ-SCLBCKFNSA-N 460.940 -0.075 50 20 JBGD CC[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3nc(N)n[nH]3)CCO2)C1 1837277220 GYASKNSMYDNFEZ-SJCJKPOMSA-N 459.345 -0.051 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3Cc4ccccc4O3)C2)C1 1837458805 DJVVWINMTOWKKT-GBXCKJPGSA-N 481.509 -0.241 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn4c3OCCC4)C2)C1 1837459272 AVXYGXPUEOBWGE-JOCHJYFZSA-N 485.501 -0.952 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)ccc3F)C2)C1 1837460044 RCJKTMIBQSDWCX-JOCHJYFZSA-N 473.461 -0.086 50 20 JBGD C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1)N1CSCSC1 1837570325 KXQUFLUMZRCDSZ-IIBYNOLFSA-N 495.432 -0.521 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(Cl)cn1)CCO2 1837894697 ZLRNKICVOKCKRW-NRFANRHFSA-N 459.695 -0.201 50 20 JBGD COc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)c([N+](=O)[O-])cc1O 1838601996 HRBVNWGAZHEGAL-BEFAXECRSA-N 473.866 -0.021 50 20 JBGD O=C(c1n[nH]c2c1CS(=O)(=O)C2)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839199779 ULPFGMKAOVEDCZ-XJKSGUPXSA-N 495.327 -0.401 50 20 JBGD C[C@](O)(CC(=O)O)CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839202516 IIMQYXZSIFSCII-IMJJTQAJSA-N 455.277 -0.251 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccccc1C(N)=O)CCO2 1839351269 AFLJQAHKXONPCK-QFIPXVFZSA-N 461.519 -0.772 50 20 JBGD C[C@H](Br)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCCS1(=O)=O)CCO2 1839784600 RWMBESQEELCIMR-XEZPLFJOSA-N 453.355 -0.197 50 20 JBGD C[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)CN(C)NC(=O)NCc3ccccc3)C2)C1 1840026259 FUKZTJCTFJXUAW-JTSKRJEESA-N 463.535 -0.830 50 20 JBGD Cc1ccc(=O)n(C(C)(C)C(=O)N2CCOC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)n1 1840185221 HFKRWPBPCWFQFW-QHCPKHFHSA-N 492.577 -0.884 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CC2(CCCN2C(=O)c2cc(=O)n3[nH]nnc3n2)C1 1843235275 IVNGGAISWUYZEP-UHFFFAOYSA-N 482.413 -0.223 50 20 JBGD C[C@@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1cc(S(C)(=O)=O)ccc1Br 728509923 BXSJDKBFBRRXJE-SSDOTTSWSA-N 478.368 -0.900 50 20 JBGD Cn1cnc2c1c(=O)n(CC(=O)NNC(=O)c1cc(F)ccc1Br)c(=O)n2C 728550893 MNEFBYDGQGBGMO-UHFFFAOYSA-N 453.228 -0.204 50 20 JBGD COc1ccc(C(=O)NNC(=O)COC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)cc1OC 762384726 OHVGGXKCSXKMFZ-UHFFFAOYSA-N 464.456 -0.494 50 20 JBGD CCOC(=O)c1c[nH]nc1S(=O)(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 818780460 NPUISSPQYVTVJC-UHFFFAOYSA-N 471.517 -0.006 50 20 JBGD NS(=O)(=O)c1cc(C(=O)NNC(=O)CN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)ccc1Cl 915787710 PPLWONOVQPUSAQ-PVFTVIPPSA-N 452.876 -0.445 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)Cn3nnc4ccccc43)CCO2)C1 1779028204 GUSPEJFVQSODGP-QFIPXVFZSA-N 464.486 -0.427 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCc4nc(O)nc(O)c4C3)C[C@@H]21)[C@@H](O)CCl 1784085188 CUYYHURRUYDBRW-AYCUNASISA-N 454.911 -0.428 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@@]2(CCN(C(=O)CN3C(=O)C=CC3=O)C2)C1 1784118435 WPNDHKCEIRYAAW-JOCHJYFZSA-N 486.437 -0.111 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc4snnc4c3)C[C@@H]21 1788610275 VMEAVRXXHPTHGD-KCTSRDHCSA-N 482.526 -0.008 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)[C@@H]1CCc2ccccc2[C@H]1O 1793036644 YYKULCIBSSPDNA-NQDIBGKZSA-N 464.327 -0.134 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)NC(=O)OC(C)(C)C)C2 1796443786 KFPHYETXAHAHOM-LXMJYWGDSA-N 492.533 -0.447 50 20 JBGD CN(CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(CO)on1)NC(=O)NCc1ccccc1 1798734459 ZCODELNWVILGLE-UPHUGPLXSA-N 486.529 -0.284 50 20 JBGD CN(CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCC(=O)N1)C2)NC(=O)NCc1ccccc1 1799094819 MFPBMQWNUHISJV-BMQTXXJKSA-N 472.546 -0.799 50 20 JBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnn(-c3cccnc3)c1)C2 1801009645 XGUSAGVJVJQIBZ-UPHUGPLXSA-N 455.519 -0.157 50 20 JBGD CC(=O)N(C)[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1808430503 YOAMAEPBDZARJN-QFIXIFRTSA-N 452.320 -0.052 50 20 JBGD NNC(=O)c1ccncc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H](O)N2CCOCC2)[nH]n1 1819403366 GSFOCDAZTRDYBT-OXQOHEQNSA-N 472.506 -0.635 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(F)nc1F)CCO2 1829532804 ZVZMPKWNKYGGKA-OAQYLSRUSA-N 476.440 -0.258 50 20 JBGD COc1cc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)ccn1 1832594835 RBDJVUPIDKSICG-XMMPIXPASA-N 483.330 -0.527 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](N)c1ccccn1)CCO2 1835700939 XDNOACMRVGVRGC-PZOAEKQQSA-N 483.529 -0.328 50 20 JBGD CCc1nn(C)c(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)c1Cl 1835927470 PEFVEAWCFFUBLK-JOCHJYFZSA-N 490.753 -0.301 50 20 JBGD CC(C)N[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1)C(C)C 1835935867 VEFVGJWCYRGJED-NZQKXSOJSA-N 461.368 -0.541 50 20 JBGD COc1ncccc1C(=O)N1CCOC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837455987 AMCPDUKRKCJNCZ-JOCHJYFZSA-N 470.486 -0.528 50 20 JBGD Cc1nnsc1C(=O)N1CCOC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837457557 JKKOJLKOFRDEIX-IBGZPJMESA-N 461.504 -0.771 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cnc4ccccc43)C2)C1 1837461595 ZDGVARVEJGMXIX-XMMPIXPASA-N 493.524 -0.195 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3[nH]cnc3-c3cccnc3)C2)C1 1840185508 OHNBZSFBWKBSOS-QHCPKHFHSA-N 485.545 -0.085 50 20 JBGD C[C@@H](Nc1cnccn1)C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840185634 RBMNAFWWNODFMZ-IERDGZPVSA-N 463.539 -0.894 50 20 JBGD Cc1ccc(S(=O)(=O)CC(=O)N2CC3(CCCN3C(=O)c3cccc(B(O)O)c3)C2)cc1 1843013318 GSRQVOLMLIZTAQ-UHFFFAOYSA-N 456.329 -0.034 50 20 JBGD CN(CC(=O)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1)NC(=O)NCc1ccccc1 1843014394 GBGWQBLAGAKFLN-UHFFFAOYSA-N 479.346 -0.470 50 20 JBGD COc1ccc(S(=O)(=O)NCCC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cc1OC 104798507 XJJSSXOAIUQWNN-UHFFFAOYSA-N 475.487 -0.191 50 20 JBGD COc1cc(C(=O)NNC(=O)CCNS(=O)(=O)c2cn(C)c(C)n2)cc(OC)c1OC 750601293 RSTDNLWRQBFGCC-UHFFFAOYSA-N 455.493 -0.116 50 20 JBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NCc3ccc(S(N)(=O)=O)cc3)nc2)CC1 915884677 QTSIODVIGTWZPN-UHFFFAOYSA-N 483.576 -0.509 50 20 JBGD CC(=O)N[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)CN(C)NC(=O)NCc3ccccc3)CCO2)C1 1783179223 RUDNIBZZRNFDFB-UZUQRXQVSA-N 474.562 -0.313 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(=O)Nc3cccnc3)C[C@@H]21 1788611297 SSIVDEYPSQTHHJ-KKXDTOCCSA-N 467.486 -0.688 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)[C@@H]1CC[C@@H]2CCC(=O)N2C1 1789768245 BZQWTPNKCLGCOY-RKNHFHLDSA-N 469.347 -0.639 50 20 JBGD Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](O)CCl)C3)cc1 1793009357 BSSGZQNBVFRFEU-HITLURFISA-N 473.979 -0.149 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@](C)(O)CC(=O)O)C2 1796445596 FNBBLHNTHONXSP-CDNZIXLQSA-N 463.491 -0.674 50 20 JBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccccc1C(=O)OCCO 1798568075 VEVCLJSIBWNMTK-VPTLXERWSA-N 476.530 -0.588 50 20 JBGD CCOc1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)c1O 1799754495 SWMNMRFVEAEPNB-CWPLJXCYSA-N 454.288 -0.012 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)[C@H]1C[C@@]12C(=O)Nc1ccccc12 1800734834 XCZAJCLFUZEAKR-ZEJMQVLBSA-N 475.310 -0.520 50 20 JBGD CCOC(=O)N(CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)Cc1ccco1 1801236878 LZIASQSFUIGQSD-OPMZPASUSA-N 499.329 -0.179 50 20 JBGD O=C1CC[C@H](C(=O)N2CC[C@H](CNC(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)CN1 1807358833 ABHHATYBEHSWII-LQWHRVPQSA-N 450.304 -0.393 50 20 JBGD COC[C@H](NC(C)=O)C(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1810559780 ODYXFBFMNIGVIB-SESVDKBCSA-N 468.319 -0.768 50 20 JBGD CN1CCN(C2(C(=O)Nc3nc4c(s3)C[C@@H](NC(=O)c3ccc(B(O)O)cc3)CC4)CC2)CC1 1822714622 QBLAPKVOPIJCRO-KRWDZBQOSA-N 483.403 -0.171 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(Cl)cnc1O)CCO2 1829561855 QWYFXAAWHPKBMM-OAQYLSRUSA-N 490.904 -0.177 50 20 JBGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](NC(=O)c1ccccc1)[C@@H](C)O)CCO2 1830352931 UWPRHRBJEQLUHX-ZQDYSYBYSA-N 497.976 -0.124 50 20 JBGD O=C(NCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1)c1cccnc1 1832729487 GENYSDCYTCNEKV-QAPCUYQASA-N 473.299 -0.042 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)c1c(F)ccnc1Cl)CCO2 1833248890 GCWXWWDYXHSXCJ-NRFANRHFSA-N 477.685 -0.062 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)CCNC(=O)c3ccc[nH]3)CC2)CC1)c1cccc(B(O)O)c1 1834800029 QKWKDLOMUKKWLD-UHFFFAOYSA-N 495.389 -0.300 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C3CC(F)(F)C3)C2)C1 1837457127 XZZPKWUEHCPQJS-LJQANCHMSA-N 453.446 -0.200 50 20 JBGD Cc1cc(/C=C/C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)no1 1837555266 IGPIDSZEJSTXDP-UHQIAATHSA-N 470.486 -0.235 50 20 JBGD CC(C)n1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)n1 1838783466 CLQVTYGMDROMEC-QFIPXVFZSA-N 456.308 -0.472 50 20 JBGD C[C@H](CN)C(=O)N1CCOC[C@@]2(CN(C(=O)CN(C)NC(=O)NCc3ccccc3)CCO2)C1 1839054349 VFBWFNXFZKYWJP-WZONZLPQSA-N 476.578 -0.616 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc3c1NC(=O)C3)CCO2 1839573598 PGZIXJWUQBALOG-XMMPIXPASA-N 494.508 -0.437 50 20 JBGD C[C@@H](Oc1cccnc1)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840185987 VJYRQSKFRMRCQO-VGOFRKELSA-N 463.535 -0.322 50 20 JBGD CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)N2CC3(CCCN3C(=O)c3cccc(B(O)O)c3)C2)C1 1843015372 IGEWDPWEWJUKJC-GOSISDBHSA-N 473.335 -0.181 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](Cc1ccc(B(O)O)cc1)C(=O)N1CCCC12CN(C(=O)C#CC(=O)O)C2 1843428648 IKAYBPVKQRZCAU-SFHVURJKSA-N 499.329 -0.906 50 20 JBGD COCC(=O)N1CC2(CCCN2C(=O)[C@H](Cc2ccc(B(O)O)cc2)NC(=O)OC(C)(C)C)C1 1843428860 UVZOXQQCGRZNDE-SFHVURJKSA-N 475.351 -0.348 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)c2n[nH]cc2I)C1 1844466161 MOXGUGQIIIKVTH-UHFFFAOYSA-N 480.071 -0.175 50 20 JBGD CS(=O)(=O)c1cncc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2cnccc2C(=O)NN)c1 1848326524 SENXJOSGHGTXJV-IRXDYDNUSA-N 458.500 -0.387 50 20 JBGD CCS(=O)(=O)N1CCC[C@@H](C(=O)NNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)C1 918549009 MXWXZUUAQQXRJJ-LLVKDONJSA-N 452.942 -0.190 50 20 JBGD CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)N1CC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1781012657 ACYOSKAABRWIMN-JPYJTQIMSA-N 473.335 -0.181 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CSCC(=O)O)C2 1796446443 WXEXWIUBGVYENI-PACWOBJQSA-N 451.505 -0.472 50 20 JBGD CC(=O)N[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN)C(C)(C)C 1797748695 VEEOYOMLFQSNBX-DACLVMHWSA-N 460.535 -0.561 50 20 JBGD C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807366920 VXWBDWQRRAFCML-BKRNEDDOSA-N 462.315 -0.061 50 20 JBGD C[C@@H](C(=O)N1CCC2(CCCN(C(=O)c3ccc(B(O)O)cc3)C2)CC1)N1CCN(C)CC1 1809969585 KKBNCIPKHXEYCF-IBGZPJMESA-N 456.396 -0.153 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1810301689 CDUDDGPBZUCDEF-UTKZUKDTSA-N 488.313 -0.607 50 20 JBGD CS(=O)(=O)c1ccc(F)c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)c1 1830735699 LXLMJSDFJUSTLQ-VQIMIIECSA-N 478.926 -0.101 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCC(N2CCC(NC(=O)CN3CCNC3=N)CC2)CC1 1834704630 XWPZVBUDNFPXHM-LQKURTRISA-N 485.593 -0.468 50 20 JBGD Nc1ncc(C(=O)N2CCC(N3CCC(NC(=O)c4ccc(B(O)O)cc4)CC3)CC2)s1 1834797938 NTTCHJUJPDAOCW-UHFFFAOYSA-N 457.365 -0.096 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)c3nccc4[nH]ccc34)C2)C1 1835935899 WJYFESVYTWCLTA-HSZRJFAPSA-N 464.287 -0.374 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)c1c[nH]c3nccc-3c1)CCO2 1836442482 APKVMKSYGIFGMU-QHCPKHFHSA-N 464.287 -0.422 50 20 JBGD CN(CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccn3)C2)C1)NC(=O)NCc1ccccc1 1839054191 KVVHSNQPJGJEQT-XMMPIXPASA-N 497.556 -0.107 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc4nn[nH]c4c3)CCO2)C1 1839630329 SAXUXLSKEAUJSP-JOCHJYFZSA-N 480.485 -0.660 50 20 JBGD C[C@H](NC(=O)c1ccccn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1839667365 LWYCJLDKCNZISK-GAJHUEQPSA-N 490.561 -0.971 50 20 JBGD C[Si](C)(C)OCC(=O)N1CCOC[C@]2(CN(C(=O)COc3ccc(O)nn3)CCO2)C1 1839669776 VQSXCIHVEVEDDU-LJQANCHMSA-N 454.556 -0.131 50 20 JBGD C[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1)N1CSCSC1 1840185941 WWXLCTNNIZFGNB-OXJNMPFZSA-N 489.664 -0.141 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CC2(CCCN2C(=O)C[C@H]2NC(=O)NC2=O)C1 1841960994 GSXQCACUOVPWQQ-CQSZACIVSA-N 459.415 -0.065 50 20 JBGD COc1ccc(C(=O)NNC(=O)CCN2C[C@H](C)O[C@H](C)C2)cc1S(=O)(=O)N1CCOCC1 912924645 DWKYOVYWZJCQPM-IYBDPMFKSA-N 484.575 -0.024 50 20 JBGD COc1ccc(C(=O)NNC(=O)Cn2c(Br)nc3c(=O)n(C)c(=O)n(C)c32)cc1OC 913076639 ODISRGUBLUAYRI-UHFFFAOYSA-N 495.290 -0.325 50 20 JBGD C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)NNC(=O)N[C@@H]3CCS(=O)(=O)C3)cc2)C[C@@H](C)O1 919884590 IFPNEISAXLFRCX-VNHYZAJKSA-N 474.561 -0.384 50 20 JBGD NS(=O)(=O)c1ccc(CNC(=S)NNC(=O)Cc2csc(N3CCOCC3)n2)cc1 1115949375 MCFVWDKIIGBICF-UHFFFAOYSA-N 470.602 -0.135 50 20 JBGD CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2C(=O)N1CC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1783499849 JNZJVDIPODGXJG-OZAHESQGSA-N 499.373 -0.077 50 20 JBGD C[C@@H](O)[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2 1792777352 GKRKPVWGVOIYAB-HMGSXCDBSA-N 453.923 -0.645 50 20 JBGD CCc1nn(C)c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)c1Cl 1795732442 GRCQXXKQDVZELC-ZSBFGKGUSA-N 460.727 -0.167 50 20 JBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnn3cccnc13)C2 1797751591 KPNXHASZZIVJIC-FVCICTRLSA-N 450.459 -0.755 50 20 JBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CN(Cc3ccccc3)CCO1)C2 1801011671 VOUCSQJAMWHACK-XARGGIHNSA-N 487.601 -0.150 50 20 JBGD NC(=O)c1ncccc1C(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1804808470 VRRPUGQITPLJAG-DYESRHJHSA-N 473.298 -0.111 50 20 JBGD CNC(=S)NCCC(=O)N1CC[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1 1813072230 CJXYZOPNPHOFLT-OXJNMPFZSA-N 463.608 -0.056 50 20 JBGD O=C(Cn1cccc([N+](=O)[O-])c1=O)N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815359792 GBQGGYNDQBBAHC-AWEZNQCLSA-N 497.298 -0.181 50 20 JBGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])CC2)c1cccc(B(O)O)c1 1815361197 ZUCVQKKUMYWXEM-LLVKDONJSA-N 456.249 -0.006 50 20 JBGD O=C(CN1CCS(=O)(=O)CC1)N1CCC([C@@H]2CCCCN2C(=O)[C@H](O)CCl)CC1 1824178539 IUBDKVUAFJRIQY-DLBZAZTESA-N 450.001 -0.064 50 20 JBGD COc1ccc([N+](=O)[O-])c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)n1 1830728219 QNHJYKROUGYBIZ-SCLBCKFNSA-N 458.855 -0.332 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(CN(C(=O)C(=O)c3ccco3)CCO2)C1 1832664640 UNIFHSPRYUKQQD-NRFANRHFSA-N 457.443 -0.769 50 20 JBGD COc1nn(C)cc1C(=O)N1CCC(N2CCC(NC(=O)c3cccc(B(O)O)c3)CC2)CC1 1834799831 FXYXKJVTIVMSGD-UHFFFAOYSA-N 469.351 -0.393 50 20 JBGD C[C@H](Nc1cccnc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1835695697 KIXVQMYZDGEUSS-HTAPYJJXSA-N 462.551 -0.289 50 20 JBGD O=C(Cc1cccc([N+](=O)[O-])c1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835926616 VBFJHVCDPGMTJO-HSZRJFAPSA-N 483.286 -0.413 50 20 JBGD Cc1ccc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)cn1 1835927497 QBLVIUNMAAAIJA-DEOSSOPVSA-N 467.331 -0.227 50 20 JBGD Cc1ccc(OC(C)(C)C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)nc1 1835931290 LQLONRHWFQPYHT-VWLOTQADSA-N 497.357 -0.003 50 20 JBGD O=C(c1ccc2nccnc2c1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835937064 NDUTUUPLTFJAOU-XMMPIXPASA-N 476.298 -0.307 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CCOC[C@]2(CN(C(=O)Cn3ccnn3)CCO2)C1 1836209978 FLUXZTVDFLQJQO-NRFANRHFSA-N 488.457 -0.118 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCC(OC2CCN(C(=O)Cn3nccn3)CC2)CC1 1838394710 PPONMJHVUWXZAI-UHFFFAOYSA-N 456.507 -0.411 50 20 JBGD C[C@H](Cn1ccnc1)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840185497 RFPRKJFVMOXQLW-DYESRHJHSA-N 450.540 -0.651 50 20 JBGD O=C(COC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O)NNC(=O)c1cccc([N+](=O)[O-])c1 19178089 XVKRYQUOZUAYPQ-UHFFFAOYSA-N 481.421 -0.029 50 20 JBGD C[C@@H](CO)NS(=O)(=O)c1ccc(C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1 728328489 VARXRYAWKRAQSS-UGSOOPFHSA-N 493.494 -0.510 50 20 JBGD CC(C)[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)NNC(=O)C(=O)N1CCCC1 748247481 PXFOOQQSHRXRJQ-QGZVFWFLSA-N 468.532 -0.079 50 20 JBGD CC(C)[C@@H](CNC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1)N1CCN(C)CC1 916258197 NFIYGAQMTCQNDY-LJQANCHMSA-N 482.655 -0.084 50 20 JBGD O=C(NCCNS(=O)(=O)c1ccccc1)NNC(=O)c1csc(N2CCOCC2)n1 916295148 KPAOBELPAUNZIN-UHFFFAOYSA-N 454.534 -0.098 50 20 JBGD COC[C@H](NC(C)=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCC(=O)NN(C)C)C1 1782214725 MGYQYAWDRYBAFL-CSODHUTKSA-N 455.556 -0.976 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc(N3CCOCC3)cn1)CCO2 1783936279 LUBLMEIEEMXOBK-HSZRJFAPSA-N 474.562 -0.265 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nn[nH]c3C(F)(F)F)C[C@@H]21)c1ccc(B(O)O)cc1 1786981073 OUMMNWKTVIDWNG-UBHSHLNASA-N 467.213 -0.590 50 20 JBGD CC[C@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(=O)n4[nH]nnc4n3)[C@H]2C1 1787271042 SDPHLKWRHBFWSS-ZPFDUUQYSA-N 468.312 -0.421 50 20 JBGD Cc1cn(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](F)Br)C[C@@H]32)c(=O)nc1O 1792133137 NUSGTYUEDQHING-ZJQBRPOHSA-N 461.288 -0.072 50 20 JBGD CC(C)(C)OC(=O)N1CC[C@H]2C[C@@]21C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1800772676 NMNBISHDRLBOSX-UFZBXBPUSA-N 499.373 -0.031 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@H](CNC(=O)CN2CCOC2=O)[C@H]1c1cccnc1 1803336132 HSVOZZLGZQZJNB-HNAYVOBHSA-N 467.486 -0.148 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H](CNC(=O)CCN2C(=O)C=CC2=O)[C@@H]1c1cccnc1 1803917657 OJYPHZURWUMKTR-ZHRRBRCNSA-N 491.508 -0.285 50 20 JBGD CN(CC(=O)NC[C@@H]1CCN(C(=O)[C@@H](N)CN)[C@@H]1c1cccnc1)NC(=O)NCc1ccccc1 1807453570 PKRCYHUVPVNUAG-JAXLGGSGSA-N 482.589 -0.280 50 20 JBGD COC[C@@H](NC(C)=O)C(=O)N[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815344136 KASRHIBNRFRHGF-GDBMZVCRSA-N 460.321 -0.800 50 20 JBGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(=O)n3[nH]cnc3n1)CC2 1826084994 ABZDMNSIEFGOBS-SNVBAGLBSA-N 473.519 -0.527 50 20 JBGD C[C@H](NC(=O)c1ccccn1)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](O)CCl)CCO2)C1 1830736979 ZDECISLDAJCLSD-YYFZDKIDSA-N 454.911 -0.744 50 20 JBGD Cc1nc(C)c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)s1 1834072700 POAKTTHJHJRJKK-NRFANRHFSA-N 459.333 -0.176 50 20 JBGD O=C(COc1ccccc1)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1834950855 IPDVVYQAECJEBB-QHCPKHFHSA-N 454.288 -0.485 50 20 JBGD CC[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1)N(CC)CC 1835927044 CCBGMDQFOAYEPK-OFNKIYASSA-N 461.368 -0.443 50 20 JBGD CC(=O)Nc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)cc1 1835930554 MWUARMLAJFVJHG-RUZDIDTESA-N 495.341 -0.363 50 20 JBGD COc1ccc2[nH]cc(C(=O)N3CCOC[C@]4(CN(C(=O)c5cccc(B(O)O)c5)CCO4)C3)c2n1 1835938127 MMUDQEIOUOSQHH-DEOSSOPVSA-N 494.313 -0.365 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3cncnc3)CCO2)C1 1836053445 XUUUAGUBLYUSTJ-PKNRUHJYSA-N 483.529 0.000 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(CN(C(=O)c3cc4cccnn4c3)CCO2)C1 1839560859 OMVXVVOMFWPVOP-QHCPKHFHSA-N 479.497 -0.283 50 20 JBGD CC[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1839964309 NLGIKQLLSMUGNS-APWZRJJASA-N 469.141 -0.390 50 20 JBGD CC[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nccnc3C(N)=O)C2)C1 1839965740 IWYOJSOEBRCSSI-XIKOKIGWSA-N 470.324 -0.181 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(C(=O)N(C)C)c1)CCO2 1840789486 KWCCMVXSLRRXCC-DEOSSOPVSA-N 489.573 -0.169 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC2(CCCN2C(=O)[C@H](O)CCNC(=O)OC(C)(C)C)C1 1845223880 KTFGOPQIJYMSMM-OAHLLOKOSA-N 455.556 -0.162 50 20 JBGD Cn1c(=O)c2c(CC(=O)N3CC[C@H]4[C@@H]3CCN4C(=O)[C@@H](O)CCl)csc2n(C)c1=O 1847565162 JRXIWNLGLWRPJJ-AVGNSLFASA-N 454.936 -0.357 50 20 JBGD CN(CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CCN1C(=O)C=CC1=O)NC(=O)NCc1ccccc1 1847950555 QFCJCGGWGFVAFF-OALUTQOASA-N 482.541 -0.151 50 20 JBGD COc1cc2c(cc1OC)[C@H](CC(=O)NNC(=O)[C@H](C)NC(C)=O)N(S(C)(=O)=O)CC2 913161290 IAJCEUZUSRTTAM-NHYWBVRUSA-N 456.521 -0.375 50 20 JBGD CCN(CCCNC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1)S(C)(=O)=O 918118835 GCGCMDWHYWYJAT-UHFFFAOYSA-N 477.613 -0.685 50 20 JBGD CC(C)CNC(=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cnccc1C(=O)NN)C2 1778116698 AVZFTSJIACDENL-VGOFRKELSA-N 460.535 -0.415 50 20 JBGD O=C1CSc2ncc(C(=O)N3CC[C@]4(CN(C(=O)c5cccc(B(O)O)c5)CCO4)C3)cc2N1 1782423947 ASUZOQLROTXVTQ-JOCHJYFZSA-N 482.327 -0.437 50 20 JBGD CN(CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3CNC(=O)C3)C2)C1)NC(=O)NCc1ccccc1 1783164898 GKBDMPAUXBXBKO-MBSDFSHPSA-N 472.546 -0.701 50 20 JBGD Cc1cc(NC(=O)CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)no1 1787488929 UPORSLBCODUZBL-SZMVWBNQSA-N 470.291 -0.715 50 20 JBGD C[C@H](CNC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1792990182 XOYKRSIUMVJNCQ-VYCZESIESA-N 475.351 -0.270 50 20 JBGD COc1cc(OC)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)c1 1795734968 CBXPJWLLXQSLBL-UPHUGPLXSA-N 454.288 -0.099 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1cnc2snnc2c1 1798505147 MMBDDLQCNOFAMH-XOIINTDNSA-N 453.289 -0.717 50 20 JBGD COc1cc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)ccc1[N+](=O)[O-] 1799249144 HVXIGXXRBXBKGE-FAQVEIGNSA-N 483.286 -0.271 50 20 JBGD COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2 1800962403 TYVXJGVYEVGBGN-PHSQPZKOSA-N 450.536 -0.296 50 20 JBGD CN1N=C(C(=O)N2CC[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)CCC1=O 1807369957 ZLGNEFHOBVEUAT-UWJYYQICSA-N 463.303 -0.311 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1 1813075224 YGNNFTAHCQPTFD-VGSWGCGISA-N 461.567 -0.167 50 20 JBGD CN(C)NC(=O)CCC(=O)N[C@@H]1CCc2nc(NC(=O)c3cnccc3C(=O)NN)sc2C1 1819800128 MENGYXVDZQYSOQ-LLVKDONJSA-N 474.547 -0.260 50 20 JBGD O=C(/C=C/C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1)NCc1ccccc1 1830675618 OSXXKWGEGVYZDQ-IKLPIYGKSA-N 465.934 -0.085 50 20 JBGD COc1cccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)c1 1835030296 KYQPIRZHZNZBTR-XMMPIXPASA-N 468.315 -0.312 50 20 JBGD O=C(c1ccc2c(c1)COC2)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835930192 ASCXOFKXLQNAMG-XMMPIXPASA-N 466.299 -0.220 50 20 JBGD Cc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)c(C)n1 1835938138 NBPHPBCEHDDHHD-QHCPKHFHSA-N 453.304 -0.238 50 20 JBGD COc1nccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)c1F 1836238090 UIKWYGZZFQTDQY-QFIPXVFZSA-N 488.476 -0.388 50 20 JBGD C[C@H](C(=O)NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1)n1ccnn1 1836513629 IXGGFBQEUJFWQO-MRXNPFEDSA-N 454.340 -0.596 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc3c(c1)CC(=O)N3)CCO2 1836791729 OKZOOTFWACNREX-QHCPKHFHSA-N 473.530 -0.376 50 20 JBGD Cc1nccn1CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnccc1C(=O)NN)CCO2 1837460563 HFIMMLZMJPUXBM-QHCPKHFHSA-N 485.545 -0.260 50 20 JBGD CC(C)c1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)n[nH]1 1838697648 ZRWYHVXEWOLBDW-QFIPXVFZSA-N 471.518 -0.085 50 20 JBGD Cc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)c1 1839451928 XEIFILRVDITRTO-XMMPIXPASA-N 463.299 -0.070 50 20 JBGD CC[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CC(=O)NC3=O)C2)C1 1839962883 UGDGMYMRZDDRNF-SJKOYZFVSA-N 461.313 -0.832 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)c3cn4ncccc4n3)CCO2)C1 1779032070 LHAQGYVZRFADHQ-NRFANRHFSA-N 450.459 -0.515 50 20 JBGD C[C@@H](NC=O)C(=O)N1CCO[C@]2(CCN(C(=O)CN(C)NC(=O)NCc3ccccc3)C2)C1 1780968175 GIJKCLNRFBNGDI-VGSWGCGISA-N 460.535 -0.703 50 20 JBGD COCCOCCOCCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)C2 1782065615 WKOTZMYMTWUSHE-AUSIDOKSSA-N 486.610 -0.057 50 20 JBGD CN(CC(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1)NC(=O)NCc1ccccc1 1783566147 ZLWZBXJCSHTIGI-QFIPXVFZSA-N 457.487 -0.750 50 20 JBGD CC(C)(C)OC(=O)N1CCn2nnc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)[C@@H](O)CCl)c2C1 1792981333 JLFIQMQRDHNUHY-XRGAULLZSA-N 498.968 -0.168 50 20 JBGD COC(=O)[C@H]1CCC[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)C1 1797754204 NLMZXCMFZUFQDH-ZAHIEGGZSA-N 473.530 -0.132 50 20 JBGD NC(=O)c1ncccc1C(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1804808476 VRRPUGQITPLJAG-UWJYYQICSA-N 473.298 -0.111 50 20 JBGD O=C(/C=C\C(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1)NC1CC1 1807360526 KWLRXFOURGYIPR-ADTVPTKKSA-N 462.315 -0.084 50 20 JBGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1cc(C(=O)O)ncn1)CC2)c1ccc(B(O)O)cc1 1815337900 XRFZLCONEDWVDB-GFCCVEGCSA-N 467.272 -0.149 50 20 JBGD O=C1CN(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(B(O)O)c3)CC2)C(=O)N1 1827056498 VUQYLQMEIZWEQT-SFHVURJKSA-N 456.308 -0.849 50 20 JBGD CC(=O)N1CCN(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(B(O)O)c3)CC2)CC1 1827059405 OVGGOXVRYCDZPZ-QHCPKHFHSA-N 484.406 -0.236 50 20 JBGD Cn1cccc(C(=O)N2CCC(N3CCC(NC(=O)c4ccc(B(O)O)cc4)CC3)CC2)c1=O 1834797348 FCJJLFOULHCWAI-UHFFFAOYSA-N 466.347 -0.436 50 20 JBGD Cn1ccc2c(O)ncc(C(=O)N3CCOC[C@]4(CN(C(=O)c5ccc(B(O)O)cc5)CCO4)C3)c21 1835931606 SQMHSGCWSUOIDW-DEOSSOPVSA-N 494.313 -0.658 50 20 JBGD O=C(CCc1cccc(O)c1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835933875 HWSMOSCUERAYTF-DEOSSOPVSA-N 468.315 -0.225 50 20 JBGD CC(C)N1CCC[C@H]1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835940196 YVZRSYKLFLLNCO-NZQKXSOJSA-N 459.352 -0.691 50 20 JBGD C[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3n[nH]c4c3CS(=O)(=O)C4)CCO2)C1 1836260393 VYKUFRJMMOWQIC-GTNSWQLSSA-N 491.364 -0.309 50 20 JBGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc4n(n3)CCCNC4=O)CCO2)C1 1836780867 JMBXUZYRPOZEKD-VBKZILBWSA-N 469.926 -0.660 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc3[nH]ccc3n1)CCO2 1836903294 DOCUQHJCKPZNFT-QHCPKHFHSA-N 464.287 -0.374 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc4cn[nH]c4cn3)CCO2)C1 1837195854 AZRYBZJQUBQVLS-QFIPXVFZSA-N 480.485 -0.660 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1ON=C(c3ccccc3)O1)CCO2 1837297681 YFEGJKFUOGXGGY-XZOQPEGZSA-N 489.529 -0.450 50 20 JBGD C[C@](Cl)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](O)N3CCOCC3)CCO2)C1 1837520541 BNPLDTOKEYSKOA-FHLIZLRMSA-N 454.351 -0.670 50 20 JBGD CC(C)c1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)n[nH]1 1838695421 WPZFNLFUYHJLNM-JOCHJYFZSA-N 456.308 -0.403 50 20 JBGD C[C@](Cl)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3C(=O)CNC3=O)C2)C1 1839150748 WOXCWQAOMWFHCS-DLBZAZTESA-N 451.307 -0.769 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(O)c([N+](=O)[O-])c1)CCO2 1839273134 BWKIUYCCJPOWBQ-JOCHJYFZSA-N 485.258 -0.636 50 20 JBGD C[C@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)CCS(C)(=O)=O)CCO2)C1 1840548151 OOWJAUWWVUVVKM-CJNGLKHVSA-N 455.371 -0.092 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCCC12CN(C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C2 1846386387 GYVYFRYGDIRZJU-AWEZNQCLSA-N 468.555 -0.669 50 20 JBGD Cn1nc(SCC(=O)NN=Cc2cc(Br)ccc2OCC(=O)O)c(=O)n(C)c1=O 915957303 IOCYWNHLZPBPTI-UHFFFAOYSA-N 486.304 -0.053 50 20 JBGD CS(=O)(=O)N1CCC(NC(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)CC1 916237671 AYPYVKWKAVGLMC-UHFFFAOYSA-N 473.577 -0.161 50 20 JBGD CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)N1CC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1781338519 DJNXHALPSZGJAX-JPYJTQIMSA-N 491.350 -0.914 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@]1(O)CCN(C(=O)OC(C)(C)C)C1)CCO2 1783938074 RRGDRJAMHLFUEU-PKTZIBPZSA-N 497.593 -0.439 50 20 JBGD O=C(Cn1nnc2ccccc21)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1784895065 QTKPLPIHFVEIBP-MDKPJZGXSA-N 463.303 -0.595 50 20 JBGD CCOC(=O)N1CCC(C(=O)N2CC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)CC1 1785373293 QOMXURUPCMLPEH-HSZRJFAPSA-N 473.335 -0.322 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=O)c3cccnc3)C[C@@H]21 1787506678 KUQQUMXWRYYADY-WEMFUYDZSA-N 495.540 -0.075 50 20 JBGD C[C@@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCS(=O)(=O)CC1 1793835683 UHWHAJGCWOXYLD-AYDFFVQHSA-N 466.398 -0.663 50 20 JBGD COc1ccc2[nH]cc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)c3ccc(B(O)O)cc3)c2n1 1795735262 UEQTXEYFDWBQLC-YVWYUNDQSA-N 464.287 -0.232 50 20 JBGD CC[S@@](=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C(C)=N/NC(=O)c1ccc[nH]1)C2 1797605456 YWFRFUMGNOZAFH-BZFHADRNSA-N 451.549 -0.131 50 20 JBGD O=C(Nc1cc([C@H]2CCCCN2C(=O)CN2CCS(=O)(=O)CC2)[nH]n1)c1ccc(B(O)O)cc1 1817471317 UWJPYYZLKIYIFJ-GOSISDBHSA-N 489.363 -0.874 50 20 JBGD O=C(CNC(=O)C(F)(F)F)Nc1nc2c(s1)C[C@H](NC(=O)c1cccc(B(O)O)c1)CC2 1826140975 UMIGIYIGWRCKMS-LLVKDONJSA-N 470.238 -0.273 50 20 JBGD CC[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1)N(CC)CC 1835927042 CCBGMDQFOAYEPK-NZQKXSOJSA-N 461.368 -0.443 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)c3nccc4nc[nH]c34)C2)C1 1835928315 KHRDRYVNIOZVEW-JOCHJYFZSA-N 465.275 -0.979 50 20 JBGD COc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)nc1 1835928772 YOXXZURPRFXZSJ-JOCHJYFZSA-N 455.276 -0.846 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)c3cnccc3Cl)C2)C1 1835938572 ZEFATDRHHGVRFA-OAQYLSRUSA-N 459.695 -0.201 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837446493 CFACQTVCTYIQKQ-XOWGOQOESA-N 452.556 -0.713 50 20 JBGD CC(C)N1CCC(C(=O)N2CCOC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)CC1 1840182784 UHTMRYQWCGBJAK-HSZRJFAPSA-N 467.611 -0.064 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)N1CCCC12CN(C(=O)c1cnccc1C(=O)NN)C2 1841431073 SRKATTISFGGNBV-INIZCTEOSA-N 476.534 -0.222 50 20 JBGD CN(CC(=O)N1CCCC12CN(C(=O)CN1CCNC1=N)C2)NC(=O)NCc1ccccc1 1845038813 WLQORXFIDDJJAM-UHFFFAOYSA-N 456.551 -0.624 50 20 JBGD CCn1cnc2c1c(=O)n(CC(=O)NNC(=O)C(C)(C)NC(C)=O)c(=O)n2Cc1ccccc1 726768893 SXIIBUJZRZVBSG-UHFFFAOYSA-N 469.502 -0.510 50 20 JBGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 746385733 KTSQAEFPQMUAMQ-OAHLLOKOSA-N 466.564 -0.770 50 20 JBGD CC[C@]1(C)NC(=O)N(CC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)C1=O 912642901 HKMMSDUEXBEHAA-IBGZPJMESA-N 451.505 -0.047 50 20 JBGD COc1cc2c(cc1OC)[C@H](CC(=O)NNC(=O)Cn1ccccc1=O)N(S(C)(=O)=O)CC2 916558542 TWBFMUIQWBHXFG-INIZCTEOSA-N 478.527 -0.038 50 20 JBGD CC(C)S(=O)(=O)CC(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 917531877 HGFGHGKLBKQAER-UHFFFAOYSA-N 461.562 -0.389 50 20 JBGD Cn1c(=O)c(C(=O)N2CC[C@]3(CN(C(=O)c4cnccc4C(=O)NN)CCO3)C2)nc2ccccc21 1777887357 ABRPIFDIBQYEKI-XMMPIXPASA-N 491.508 -0.311 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)[C@H]3Cc4[nH]nc(C(F)(F)F)c4C3)C2)C1 1782845501 IRDVORWUTHTOCH-SZNDQCEHSA-N 492.263 -0.033 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc(OCF)cn3)C[C@@H]21)c1cccc(B(O)O)c1 1786984613 RRBHKDLWKXFLCV-ZVZYQTTQSA-N 458.255 -0.631 50 20 JBGD Cc1ccn2c(=O)c(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]43)cnc2c1 1788045109 FREGGBYVUNNXTI-WDSOQIARSA-N 484.557 -0.031 50 20 JBGD C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1 1788609969 HORDHDLCRUQEPB-WBAXXEDZSA-N 459.503 -0.212 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCN3CCOCC3)C[C@@H]21 1788610592 IUQNOKBWHFOPRD-SNRMKQJTSA-N 460.535 -0.999 50 20 JBGD CCOc1cnc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cnccc4C(=O)NN)[C@H]3C2)cn1 1788611635 NSDDABZMWJWTRV-OWQGQXMQSA-N 469.502 -0.219 50 20 JBGD Cn1ccc(=O)cc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21 1789224606 OTARKXNVJDXNER-IXDGSTSKSA-N 454.487 -0.709 50 20 JBGD COC(=O)N(CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1)Cc1ccccc1 1795740639 FPBCXTQYCSHJGF-JHDGKUDLSA-N 495.341 -0.162 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CNC(=O)C1)C2 1798522988 LNWLIHMHMXABDO-VYGYDYRJSA-N 460.443 -0.141 50 20 JBGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCc3nc(O)nc(O)c3C1)C2 1800974132 MKNXCIXIZFLSDT-JNZVMSIHSA-N 454.911 -0.164 50 20 JBGD CN1CCN(C2(C(=O)N3CC[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@@H]3c3cccnc3)CC2)CC1 1807373193 OUVLKYFFOWKIHM-GMAHTHKFSA-N 491.401 -0.139 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@H](CNC(=O)c2cc(O)nc(O)n2)[C@@H]1c1cccnc1 1808303752 SCJMGUHXJZQAIR-UGSOOPFHSA-N 478.469 -0.085 50 20 JBGD Nc1n[nH]c(CCC(=O)NC[C@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)n1 1810146112 AACVTPMGJZWVLV-OXQOHEQNSA-N 463.307 -0.586 50 20 JBGD COc1cc(N2CCC(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)[C@H](O)CCl)CCO4)CC2)ncn1 1830720437 ZNZMFQHOABWVCJ-VGOFRKELSA-N 497.980 -0.242 50 20 JBGD Cc1nn2cc(CC(=O)N3CCOC[C@@]4(C3)CN(C(=O)[C@@H](O)CCl)CCO4)nc2s1 1830726943 XLGIXJVNPBCJFX-KBXCAEBGSA-N 457.940 -0.302 50 20 JBGD CC[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCS(=O)(=O)CC3)CCO2)C1 1832488360 ZJYFSSABZFGPIP-QAPCUYQASA-N 496.424 -0.653 50 20 JBGD O=C([C@H](F)Cl)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCc3nc(O)nc(O)c3C1)CCO2 1833026500 MRLLMNANFWHEGM-WQBCIRTESA-N 458.874 -0.017 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)CCn3cncn3)CC2)CC1)c1cccc(B(O)O)c1 1834801402 GJRAKCGHVXYXCP-UHFFFAOYSA-N 454.340 -0.767 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CNc3ccccc31)CCO2 1835716537 YAVRNFPGPXBBAS-HYBUGGRVSA-N 465.315 -0.354 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)c3cc(N4CCCC4)ccn3)C2)C1 1835928290 ILXSNOLIBAPYIP-VWLOTQADSA-N 494.357 -0.255 50 20 JBGD COC(=O)Nc1cccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)c1 1835939257 IWYUEOCRZILBNE-XMMPIXPASA-N 497.313 -0.072 50 20 JBGD Cn1cc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)cn1 1835989125 KRNNQULCCHCBKM-JOCHJYFZSA-N 471.518 -0.879 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc3n(n1)CCCO3)CCO2 1836972474 BHFCNAYYVKVQEB-NRFANRHFSA-N 464.523 -0.891 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)ccc3O)C2)C1 1837459336 CZOGTKXOEZWPKU-QFIPXVFZSA-N 471.470 -0.520 50 20 JBGD C[C@H](Cn1cncn1)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1837919220 RBNAYCFHCAXWLX-QGZVFWFLSA-N 469.351 -0.094 50 20 JBGD COCc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)c1 1838519224 BXKNIQBSXRPZKC-OAQYLSRUSA-N 451.524 -0.396 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4ncccn4n3)C2)C1 1840184242 FDQVDIWWWJQHCP-OAQYLSRUSA-N 459.507 -0.828 50 20 JBGD COc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)ccc1[N+](=O)[O-] 1840757988 KNKGXPPORRGZCB-QHCPKHFHSA-N 499.285 -0.333 50 20 JBGD O=C(CN1C(=O)c2ccccc2C1=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 14907276 ALOOIJTVAQPJGC-UHFFFAOYSA-N 472.479 -0.235 50 20 JBGD O=C(CNC(=O)c1ccc(O)cc1)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 727481864 HZDYLRKYPCUMQH-UHFFFAOYSA-N 462.484 -0.396 50 20 JBGD NC(=O)c1ccc(/C=C/C(=O)N2CCC[C@@H]2C(=O)NNC(=O)CNC(=O)c2ccco2)cc1 751203340 MFNRURVVKPLCDB-OJXHRBAXSA-N 453.455 -0.040 50 20 JBGD COc1ccccc1NCC(=O)NNC(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 825644059 RGLYZONEWJOASD-UHFFFAOYSA-N 463.516 -0.065 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)Cn2ccncc2=O)C1 1781484545 FEQSPFLGYSTIDD-SJUPTTPXSA-N 483.529 -0.109 50 20 JBGD CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]2C1 1784092884 NOWCILRVQGTUHN-RBZJEDDUSA-N 463.959 -0.159 50 20 JBGD CN(CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1)C(=O)c1ccccc1 1786983625 SPCYHGCQBYNJKW-BVSLBCMMSA-N 479.342 -0.268 50 20 JBGD Cc1nn(C)c(C)c1CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786986597 OKQNFNGCZMRTRG-YYWHXJBOSA-N 454.336 -0.447 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCS(=O)(=O)CC3)C[C@@H]21)[C@H](F)Br 1789922800 UBLGUHJUDCBCPT-ABHRYQDASA-N 470.361 -0.613 50 20 JBGD C[C@@H](NC(=O)c1ccccc1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1792247952 SOSCKSRIFJDNPM-XEHJXZTKSA-N 479.342 -0.222 50 20 JBGD Cc1ccc(C(=O)NCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)cc1 1802118125 CGYOCPCXFFXFCW-HATOLVCRSA-N 465.315 -0.692 50 20 JBGD CCNC(=O)N[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1810236316 COEIKPKJFVRZHC-MOXGXCLJSA-N 467.335 -0.211 50 20 JBGD O=C(Cn1ccccc1=O)N[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815339775 OLGOOXQCUUORHY-OAHLLOKOSA-N 452.301 -0.089 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCc3ccoc3C1)CCO2 1830931739 UMHLSIKNBUVGBY-DVECYGJZSA-N 468.315 -0.166 50 20 JBGD CCC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(=O)n4[nH]cnc4n3)C2)C1 1831647251 SVMYRNLESOKNRC-ORAYPTAESA-N 452.899 -0.105 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCC(N2CCC(NC(=O)c3cccnc3C(N)=O)CC2)CC1 1833921190 ZYWJLOBFHKXODA-UHFFFAOYSA-N 473.578 -0.261 50 20 JBGD Cc1cncc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)c1 1834283287 FISUNXSRQWCGTI-JOCHJYFZSA-N 454.487 -0.228 50 20 JBGD Cc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1835150050 MXQKMUUSLVSFBN-DEOSSOPVSA-N 468.315 -0.176 50 20 JBGD C[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1)N1CSCSC1 1835930423 ILHASKSIADRLGT-KKSFZXQISA-N 495.432 -0.521 50 20 JBGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)NC(=O)c3cnccn3)CCO2)C1 1837610669 WWROMECWHYXGNH-BXTJHSDWSA-N 469.926 -0.695 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCC(OC2CCN(C(=O)c3cc(CO)on3)CC2)CC1 1837919182 OALLNPFVRZOLEI-UHFFFAOYSA-N 457.292 -0.227 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCCN(C)C1)CCO2 1839064534 BSKGKGRSWJWMTF-KTDDNLLNSA-N 474.562 -0.081 50 20 JBGD CCC[C@@H](NC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1840855770 TYEHSCUYBKYKFZ-UTKZUKDTSA-N 455.556 -0.879 50 20 JBGD O=C(OCCO)c1ccccc1C(=O)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843011726 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C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(O)n1)CCO2 1834190865 RWGVIAFJQIJNLE-IBUSPFOHSA-N 470.486 -0.009 50 20 JBGD CC(C)c1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)no1 1834495623 LHZOLQQXDNOVSJ-QFIPXVFZSA-N 457.292 -0.138 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(CN(C(=O)CCN3CCOCC3)CCO2)C1 1835444320 VRNWGGAUFDIPEC-UPQSEYGOSA-N 490.561 -0.701 50 20 JBGD C[C@H](C(=O)NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1)N1C[C@@H]2C[C@H]2C1 1835669730 LYWCVQBETHITAB-HOJAQTOUSA-N 468.407 -0.108 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835674768 MFUPQBCUJNFXKB-RQFMOZSRSA-N 487.561 -0.141 50 20 JBGD Cc1nnc(CC(=O)N2CCC(N3CCC(NC(=O)c4cnccc4C(=O)NN)CC3)CC2)o1 1835736696 BXEKMECTABIKLH-UHFFFAOYSA-N 470.534 -0.196 50 20 JBGD C[C@H](Cc1ccco1)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835933969 KIIWNMJWODXTCL-HXOBKFHXSA-N 456.304 -0.092 50 20 JBGD COC(=O)[C@@H]1CCC[C@@H](C(=O)N2CCOC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)C1 1835939846 KQTLTYMVRXVBNW-YJLYGGOZSA-N 488.346 -0.584 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc3nc[nH]c3c1)CCO2 1836930415 CZEOCAZZEIIWED-QHCPKHFHSA-N 464.287 -0.374 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1n[nH]cc1[N+](=O)[O-])CCO2 1837796294 XGVMKJYTGRMRJR-IYHCKTHZSA-N 488.461 -0.478 50 20 JBGD O=C(c1n[nH]cc1I)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1837963590 QWZDIPMIJUCVCA-NHYWBVRUSA-N 498.705 -0.316 50 20 JBGD CCc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)n(C)n1 1838046691 MKUIXEURNHEEFH-NRFANRHFSA-N 450.540 -0.575 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCC(OC2CCN(C(=O)[C@@H]3C[C@H](O)CN3)CC2)CC1 1838394736 QZEWMVJDTFEDLQ-LIRRHRJNSA-N 460.535 -0.980 50 20 JBGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)CCO2)C1 1839204230 LISHVPIEKQRGKS-QYWGDWMGSA-N 493.985 -0.028 50 20 JBGD CCN(CC)C[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1839679988 VABOJZCSTJYQNT-GCJKJVERSA-N 455.600 -0.206 50 20 JBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)C2)C1 1840155254 VGWGTBDOOVYNNI-XFQAVAEZSA-N 493.985 -0.028 50 20 JBGD COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)cc1F 1840527030 SUKDNFKUFFHNMR-XMMPIXPASA-N 486.305 -0.173 50 20 JBGD O=C(c1n[nH]cc1I)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843011422 BQUNGTUUOOEQGB-UHFFFAOYSA-N 480.071 -0.175 50 20 JBGD CC(C)(C)OC(=O)N1CCOC[C@@H]1C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc(B(O)O)cc1 1847943514 FVUHYTXEKIEZPQ-GBESFXJTSA-N 473.335 -0.182 50 20 JBGD O=C1CN(S(=O)(=O)c2cccc(C(=O)NNC(=O)COc3ccccc3F)c2)CCN1 906288159 UFVAJRRIKYQIFA-UHFFFAOYSA-N 450.448 -0.214 50 20 JBGD COCCn1cnc2c1c(=O)n(CC(=O)NNC(=O)[C@H](C)OC)c(=O)n2Cc1ccccc1 917705254 YENJQBDWZVGMLT-AWEZNQCLSA-N 458.475 -0.763 50 20 JBGD Cc1nc(C(=O)N2CCO[C@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)c(=O)[nH]c1C 1779029614 ZXIRWWMTNSCQLT-NRFANRHFSA-N 455.475 -0.857 50 20 JBGD COC(=O)c1ccc(CC(=O)N2CC[C@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)s1 1780896935 WQZUMHDLGMVALS-QFIPXVFZSA-N 472.328 -0.099 50 20 JBGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(CCN(C(=O)Cc3csc4c3c(=O)n(C)c(=O)n4C)C2)C1 1780921977 FMSYMHJJVUTSPO-SPLOXXLWSA-N 498.989 -0.075 50 20 JBGD C[C@H](NC=O)C(=O)N1CCO[C@]2(CCN(C(=O)CN(C)NC(=O)NCc3ccccc3)C2)C1 1780968167 GIJKCLNRFBNGDI-JTSKRJEESA-N 460.535 -0.703 50 20 JBGD COC(=O)[C@@H]1CC=CC[C@H]1C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1783851327 MJFCTXZNTSLOAF-PWHSHALESA-N 456.304 -0.435 50 20 JBGD C[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN)N1CSCSC1 1797751551 FUSMFCZSALDRHD-ZJOBFFGXSA-N 480.616 -0.069 50 20 JBGD C[C@H](Nc1cnccn1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797751552 FXSRMLPDHHJNCL-FLTUCWPJSA-N 454.491 -0.821 50 20 JBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCNC(=O)c1ccccc1)C2 1797753943 FBNKBJHHTWKIQL-UPHUGPLXSA-N 480.525 -0.292 50 20 JBGD C[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN(C)NC(=O)NCc1ccccc1)n1cncn1 1799099402 WQHFBABMGMQQPQ-ROPHOZQPSA-N 484.561 -0.225 50 20 JBGD CC(C)NC(=O)OC(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1799129149 UEPYOVCLFXOMBT-ALXJQNPVSA-N 461.324 -0.517 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COc1ccc(O)nn1 1800204565 IHKGSQGJEQIYMA-GLYXUVKCSA-N 471.474 -0.715 50 20 JBGD CC(=O)N/C(=C\c1ccco1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C 1801012816 ZJTIXPLTIWJASH-QGCQWZGZSA-N 461.519 -0.281 50 20 JBGD CN(CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)C=CC1=O)NC(=O)NCc1ccccc1 1802541993 VPWOSUQUIYHHHI-REPLKXPHSA-N 482.541 -0.104 50 20 JBGD O=C(NC[C@H]1CCN(C(=O)CNC(=O)C(F)(F)F)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807364761 GBPAHZCNIVYUNS-QAPCUYQASA-N 478.236 -0.241 50 20 JBGD O=C(NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807367508 ZNIXZQMJOJICGT-OXQOHEQNSA-N 498.395 -0.059 50 20 JBGD C[C@H](C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cccc(B(O)O)c1)CC2)[C@@H]1SC(=N)NC1=O 1817248427 BMXOZOXTHYKTBF-UAKXVISKSA-N 487.372 -0.149 50 20 JBGD N#Cc1ccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)cc1 1829631973 NGLBJMOKPAIPGF-RUZDIDTESA-N 477.326 -0.059 50 20 JBGD COC[C@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)CNCP(=O)(O)O)CC2)CC1 1834665744 VWABBGNQXBKQFW-HNNXBMFYSA-N 454.892 -0.463 50 20 JBGD Cn1ccc(CC(=O)N2CCC(N3CCC(NC(=O)c4ccc(B(O)O)cc4)CC3)CC2)n1 1834797912 KZOQAHKHDSTSRN-UHFFFAOYSA-N 453.352 -0.472 50 20 JBGD CC(=O)N/C(C)=C/C(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834799124 OPCOJNCYHWVMEN-FOCLMDBBSA-N 456.352 -0.409 50 20 JBGD O=C1CC[C@H](C(=O)N2CCC(N3CCC(NC(=O)c4cccc(B(O)O)c4)CC3)CC2)CN1 1834800521 JZIXQCJWRMWVQO-KRWDZBQOSA-N 456.352 -0.922 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCC(N2CCC(NC(=O)CCc3nc(N)n[nH]3)CC2)CC1 1835666542 LNMQSFVYXSMNDY-UHFFFAOYSA-N 484.565 -0.797 50 20 JBGD CC[C@@H](NC(C)=O)C(=O)N1CCC(N2CCC(NC(=O)c3cnccc3C(=O)NN)CC2)CC1 1835734888 VBLRSEPJHQRKFK-HXUWFJFHSA-N 473.578 -0.215 50 20 JBGD O=C(CCOc1ccccc1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835935774 QMJNVOHKFUCJRB-XMMPIXPASA-N 468.315 -0.095 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)c1cc(Cl)c3nncn3c1)CCO2 1837369905 CZPZRHURACQMKR-QFIPXVFZSA-N 499.720 -0.554 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(CO)o3)C2)C1 1837459445 PCPUOIQXECXSLB-NRFANRHFSA-N 459.459 -0.846 50 20 JBGD COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)c1 1837460083 TWHVIPPPROLKGH-DEOSSOPVSA-N 494.508 -0.051 50 20 JBGD CC(=O)OC[C@H](OC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1837499944 SKLZQDBDGJHMGM-VBQJREDUSA-N 483.287 -0.372 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnc(O)[nH]1)CCO2 1838065958 KKVLMAJJXAMQQA-AFEQLLIESA-N 459.463 -0.681 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(O)c([N+](=O)[O-])c1)CCO2 1839273504 QEQRMGFKXWUCCG-QFIPXVFZSA-N 485.258 -0.636 50 20 JBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(=O)nc4cccnn34)C2)C1 1840154260 QMBJNHQDPXLXGN-XOBRGWDASA-N 465.894 -0.587 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@](C)(O)C(F)(F)F)C2)C1 1840182317 GTFGAIZZNBLTKQ-IAGOWNOFSA-N 454.446 -0.871 50 20 JBGD CNc1nsnc1C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840182359 ANIABVTWBJAASV-SFHVURJKSA-N 455.541 -0.977 50 20 JBGD COCCn1cnc2c1c(=O)n(CC(=O)NNC(=O)N1CCN(C)CC1)c(=O)n2Cc1ccccc1 781933947 RFCAMMFGKXTAEK-UHFFFAOYSA-N 498.544 -0.957 50 20 JBGD COCCn1cnc2c1c(=O)n(CC(=O)NN=Cc1cnn(C)c1)c(=O)n2Cc1ccccc1 917211485 ADKJRFBLOYTPRZ-UHFFFAOYSA-N 464.486 -0.062 50 20 JBGD C[C@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2)[C@H]1SC(=N)NC1=O 1778080446 JGTFWUDTWGJUTI-OFAHOWDGSA-N 488.375 -0.704 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H]1CCCS1(=O)=O)C2 1782213576 XBONDYHDNILAKK-JXXFODFXSA-N 458.581 -0.550 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H]2CCNC(=O)C2)C1 1782271176 YANCLRDKEOQRJJ-UZSYQUHHSA-N 458.519 -0.661 50 20 JBGD CC(C)(NCCC#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21 1786859174 SLMFYKPIJLKGIS-WBAXXEDZSA-N 457.535 -0.440 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)[C@H]1ON=C(c2ccccc2)O1 1788520639 PONHILDKQJTECI-TYZOXTDXSA-N 479.298 -0.306 50 20 JBGD CCS(=O)(=O)N[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)CBr 1792868826 QUZIEYRSAOVYGN-VJTDZRGJSA-N 454.387 -0.065 50 20 JBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(-n2c(O)nnc2O)cc1 1798598831 FDTOESUKOSMGQU-CCWDJLKJSA-N 487.517 -0.745 50 20 JBGD CC[C@H](NC(C)=O)C(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807360992 UQFGRTDETYQUOP-GIVPXCGWSA-N 452.320 -0.004 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)n2)[C@H]1c1cccnc1 1813070724 MNJQWJRSLOKINW-LIRRHRJNSA-N 457.491 -0.025 50 20 JBGD CS(=O)(=O)CCC(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1813575022 UDBFVYVFSPMCGX-FXAWDEMLSA-N 459.333 -0.484 50 20 JBGD O=C(CSc1nc[nH]n1)N[C@@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815361504 HWLGQINAJYZUTM-GFCCVEGCSA-N 458.334 -0.041 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)C(O)O)CCN2C(=O)OCc1ccccc1 1828525697 VMPZGKSPRPYDRJ-HSZRJFAPSA-N 491.545 -0.878 50 20 JBGD C[C@@H](O)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCN2C(=O)OCc2ccccc2)C1 1829000409 HPFMFMFIMAZJPN-CJAUYULYSA-N 495.341 -0.187 50 20 JBGD CC(C)(C)OC(=O)N1CCOC[C@@H]1C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](O)CCl)CCO2)C1 1830725591 KPNFETZQUWAAIE-VWKPWSFCSA-N 491.969 -0.322 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC1CCN(C2CCN(C(=O)Cc3cncnc3)CC2)CC1 1835736962 CJXUPYZQSDNZMZ-UHFFFAOYSA-N 466.546 -0.097 50 20 JBGD C[C@H](NC(=O)c1cnccn1)C(=O)NC1CCN(C2CCN(C(=O)[C@H](O)CCl)CC2)CC1 1835794910 AKOXWFJBIVGRSN-KBXCAEBGSA-N 466.970 -0.234 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)c3cc(Cl)c(O)cc3O)C2)C1 1835939644 WRAJRUIVHMUUTL-JOCHJYFZSA-N 490.705 -0.185 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCC(OC2CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])CC2)CC1 1837919120 GLUYNVVAODCEAQ-UHFFFAOYSA-N 471.279 -0.076 50 20 JBGD C[C@@H](C(=O)N1CCC(OC2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1)n1ccnn1 1837921658 USUBPWSEKLZTHH-INIZCTEOSA-N 455.324 -0.169 50 20 JBGD COc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)cc(Cl)n1 1838231213 YPDVVGXGWWZTNB-JOCHJYFZSA-N 489.721 -0.193 50 20 JBGD O=C(Cc1c(F)cccc1F)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1838994618 OEDMIFFGNPHDAZ-HSZRJFAPSA-N 474.269 -0.043 50 20 JBGD C[C@H](NC(=O)c1cnccn1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839200582 MMTZAOIGCXHOLF-YEWDVWPNSA-N 488.314 -0.258 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)c1cccc3nccn13)CCO2 1839551525 XDDFTRYURWVXBG-QHCPKHFHSA-N 464.287 -0.602 50 20 JBGD CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843011873 FBSJKUPHAIIGKV-QGZVFWFLSA-N 461.324 -0.541 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CC2(CCCN2C(=O)c2cc(=O)n3[nH]nnc3n2)C1 1843234033 CFYAJDRPOSKQHK-LBPRGKRZSA-N 480.913 -0.238 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1780096722 GESTYFWFBYULTE-HSZRJFAPSA-N 497.269 -0.043 50 20 JBGD COC(=O)C12CC(C(=O)N3CC[C@@]4(CN(C(=O)c5cnccc5C(=O)NN)CCO4)C3)(C1)C2 1783443800 LVKMTBHAZPYRLC-LZBANZJXSA-N 457.487 -0.528 50 20 JBGD C[C@@H](Nc1nccs1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786983374 QACVSJKJFFTJAM-KCMWZYNZSA-N 458.349 -0.083 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)[C@@H]1CC[C@@H]2CCC(=O)N2C1 1789768694 FWJJZSPMTDMLST-RKNHFHLDSA-N 469.347 -0.639 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1cnc(-c2ccccn2)nc1 1794258527 VJABJTRNTXWWNA-RMFSNUHRSA-N 473.298 -0.265 50 20 JBGD COC(=O)c1ccc(OCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)cc1 1795740818 IAWSQAGCFACSJD-OPMZPASUSA-N 482.298 -0.565 50 20 JBGD CC[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(=O)n3[nH]cnc3n1)C2 1800640003 SDNYTYRVYGFQAG-MIJXAVMKSA-N 453.297 -0.206 50 20 JBGD CC(C)NC(=O)OC(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C 1801012562 QGJVFRQLUJRYHI-JLVBRIDZSA-N 455.556 -0.138 50 20 JBGD CN[C@H](CC(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1)C(=O)O 1807205295 KYNILJCNAHDHNF-POAQFYNOSA-N 454.292 -0.856 50 20 JBGD CCOC(=O)N[C@H](O)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1810094138 JXOZHMYAAYJJDK-XKGZKEIXSA-N 470.291 -0.855 50 20 JBGD COC[C@H](NC(C)=O)C(=O)NC[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1 1810565678 SAQWQPIRWBPPBB-WFXMLNOXSA-N 462.551 -0.389 50 20 JBGD N=C(N)NCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@@H](O)CCl)C2)C1 1828969813 QKFRTYAGPSGRCP-HRAATJIYSA-N 480.953 -0.479 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1)c1cccc(B(O)O)c1 1834799856 AHIMRZDSLCBTHJ-UHFFFAOYSA-N 468.319 -0.328 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)c3cc4n(n3)CCCO4)CC2)CC1)c1cccc(B(O)O)c1 1834800054 NVWIEYNAVDUFPJ-UHFFFAOYSA-N 481.362 -0.156 50 20 JBGD CCc1ncccc1C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835927677 WOUAIMBAVIHYKF-QHCPKHFHSA-N 453.304 -0.292 50 20 JBGD COc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)cc1N(C)C 1835931723 YUHQIYBWGOVFFZ-VWLOTQADSA-N 497.357 -0.175 50 20 JBGD O=C1Cc2cc(C(=O)N3CCOC[C@]4(C3)CN(C(=O)c3cccc(B(O)O)c3)CCO4)ccc2N1 1835937491 ZRKMXEDRESTGTQ-DEOSSOPVSA-N 479.298 -0.755 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(CN(C(=O)c3cc4ncccn4n3)CCO2)C1 1836871658 DTCPRCXJGDHFLD-JOCHJYFZSA-N 480.485 -0.888 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)c1n[nH]c3ccc(F)cc13)CCO2 1837039118 IYWNNLDNWTUHOQ-HSZRJFAPSA-N 482.277 -0.234 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4[nH]ccc4n3)C2)C1 1837459447 PKBXDQJGOQNKEZ-HSZRJFAPSA-N 479.497 -0.055 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1nc3ccccc3o1)CCO2 1839500829 ALBBNJZJAWASGB-HSZRJFAPSA-N 465.271 -0.109 50 20 JBGD C[C@@H](Nc1nccs1)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840183808 BJECQOFZQZQXPF-FOIQADDNSA-N 468.580 -0.227 50 20 JBGD CN(CC(=O)N1CC2(CCCN2C(=O)CN2CCOC2=O)C1)NC(=O)NCc1ccccc1 1841484544 DRUBAMXGTOPNJD-UHFFFAOYSA-N 458.519 -0.012 50 20 JBGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)Cn1ccc([N+](=O)[O-])n1 916720400 SRYSEMWCWKAYJM-UHFFFAOYSA-N 466.476 -0.408 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CC(F)(F)C(=O)O)C1 1778012930 QXQQTIFLBRMZTM-AUUYWEPGSA-N 469.445 -0.077 50 20 JBGD CC(C)(C)OC(=O)N1CC(C(=O)N2CC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)C1 1778125516 WRHQEGWIGHKKPD-HSZRJFAPSA-N 473.335 -0.323 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](N)Cc1cscn1)C2 1779373187 LQLBJOKINRRVMZ-NJNPRVFISA-N 487.586 -0.161 50 20 JBGD C[C@H](Nc1cccnc1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1786864133 SZEANDWFDYUTPE-OQRYQMPQSA-N 452.320 -0.145 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1cc2cccnc2nc1O 1790363814 FGBCOTDKFYXWKE-VDGAXYAQSA-N 476.298 -0.078 50 20 JBGD Cc1cc(NC(=O)CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]3C2)no1 1791290839 AWCYMDFPPFGJMS-JYJNAYRXSA-N 464.523 -0.336 50 20 JBGD CN(CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)CCl)NC(=O)NCc1ccccc1 1792978720 NFDUZKKVNDWUMO-SFNKJDCFSA-N 467.954 -0.478 50 20 JBGD CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795740502 CHIIQPKNPPQEQW-WTOCRXRJSA-N 499.373 -0.318 50 20 JBGD Cn1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)c(C(F)(F)F)n1 1798109311 PJLRWHLMSOLBDZ-QHBPRCKVSA-N 481.435 -0.046 50 20 JBGD O=C(CCNC(=O)c1ccccc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1801950286 MJCMICDDYWKNML-HATOLVCRSA-N 465.315 -0.610 50 20 JBGD O=C(Cn1cc([N+](=O)[O-])cn1)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1804418448 GXYANTCSYMMFST-UTKZUKDTSA-N 478.274 -0.114 50 20 JBGD O=C(c1cc(=O)n2[nH]cnc2n1)N1CCC([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827054809 LFGHRUJLBXKDBV-LJQANCHMSA-N 478.318 -0.356 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(CN(C(=O)COc3ccc(O)cc3)CCO2)C1 1830346049 LNZWBDCWXYZIOI-QHCPKHFHSA-N 485.497 -0.460 50 20 JBGD COC(=O)[C@@H]1CC[C@H](C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)C1 1830709052 SQWYIQVVCBOCGQ-IXFSTUDKSA-N 474.319 -0.974 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3cn[nH]c3)CCO2)C1 1832941209 YUTXVWHWPJREPT-OAQYLSRUSA-N 457.491 -0.889 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3ccnc3)CCO2)C1 1834383680 FUDRCCKMYYOUIP-DOZBRYHWSA-N 457.491 -0.527 50 20 JBGD COc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)cc1F 1835926450 NUTDZBFIYLAILJ-HSZRJFAPSA-N 472.278 -0.102 50 20 JBGD C[C@H](NNc1ccccc1)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835934407 YYFSBNNVAGSUFY-MHECFPHRSA-N 482.346 -0.558 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCC(F)(F)C3)C2)C1 1835934573 ZOMDSYGEKLJIGE-OXJNMPFZSA-N 452.263 -0.128 50 20 JBGD C=CCCc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)c(O)n1 1835935024 CCTPXHGJEAKKOQ-VWLOTQADSA-N 495.341 -0.031 50 20 JBGD Cc1nc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)ccc1F 1835935251 KIFUELQEUWJCBT-JOCHJYFZSA-N 457.267 -0.407 50 20 JBGD C[Si](C)(C)c1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)co1 1835938337 SIGIUGGKTLZHHV-QHCPKHFHSA-N 486.406 -0.112 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCC(N2CCC(NC(=O)c3nccnc3C(N)=O)CC2)CC1 1836050217 LNXWVCZGYFQRFU-UHFFFAOYSA-N 495.544 -0.927 50 20 JBGD O=C1CCc2ccc(C(=O)N3CCO[C@]4(COCCN(C(=O)c5cccc(B(O)O)c5)C4)C3)cc2N1 1839608380 ASDKLJACUUPXTQ-VWLOTQADSA-N 493.325 -0.365 50 20 JBGD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1840880197 BOOZOZUASOHHNP-LHLOKTHNSA-N 498.297 -0.733 50 20 JBGD CC(C)NC(=O)C(=O)NNC(=O)CCCCCNS(=O)(=O)c1ccc2c(c1)OCCO2 726613954 LUCIMFFSCSHORJ-UHFFFAOYSA-N 456.521 -0.032 50 20 JBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1 913500114 TXSBRWWEVVSIGH-HZPDHXFCSA-N 450.517 -0.062 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)c3cccc(N4CCOCC4)n3)CCO2)C1 1779029942 CCOXRIPVXBUUCJ-XMMPIXPASA-N 495.540 -0.326 50 20 JBGD Cn1nc2c(c1C(=O)N1CC[C@@]3(CN(C(=O)c4cnccc4C(=O)NN)CCO3)C1)CCC2 1782439067 VMAUENOBBQLLEM-QFIPXVFZSA-N 453.503 -0.335 50 20 JBGD CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)C2 1782468704 DOSVCRCTIAORLS-DNVFCKCGSA-N 491.593 -0.656 50 20 JBGD CN(CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ncnn3C)C[C@@H]21)NC(=O)NCc1ccccc1 1789724788 NKGFNEGNNUJCSV-FHWLQOOXSA-N 484.561 -0.245 50 20 JBGD C[C@H](NC(=O)c1cnccn1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnccc1C(=O)NN)C2 1798550355 ZLMKKAXXAARNHZ-XQLPTFJDSA-N 466.502 -0.455 50 20 JBGD COCCOCCOCCOCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](Cl)COC 1800980598 DROBEYWNGRZEBD-ZMMAXQRCSA-N 466.959 -0.474 50 20 JBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@]1(NC(=O)OC(C)(C)C)CCOC1)C2 1801012423 FHALDODTGOERCH-QIEVIBBNSA-N 497.593 -0.367 50 20 JBGD CS(=O)(=O)CC(=O)NC[C@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1806768430 JTUYXECAJGMMTR-RDTXWAMCSA-N 460.516 -0.556 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)c2cc(=O)n3[nH]cnc3n2)[C@@H]1c1cccnc1 1807359402 UGNFVEBHZJQBCK-YWZLYKJASA-N 481.517 -0.495 50 20 JBGD C[C@H](CS(C)(=O)=O)C(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807360302 QUQAEIHXXRRSOT-XFQXTVEOSA-N 473.360 -0.238 50 20 JBGD CC[C@@H](NC(C)=O)C(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807360996 UQFGRTDETYQUOP-NRSPTQNISA-N 452.320 -0.004 50 20 JBGD NNC(=O)c1ccncc1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@H](O)N1CCOCC1)CC2 1819797894 NZQIQDBQYVQYEP-WLRWDXFRSA-N 475.531 -0.982 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccnc1Cl)CCO2 1829495035 IOLZOOQPOQXTMU-OAQYLSRUSA-N 459.695 -0.201 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnc(Cl)nc1)CCO2 1829523222 RMKBAAQXZWPULU-LJQANCHMSA-N 454.915 -0.427 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)c3cc(=O)n4[nH]cnc4n3)CC2)CC1)[C@H](O)CCl 1833310884 XPJYDCFQYKUMIX-OAHLLOKOSA-N 451.915 -0.798 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ncccn1)CCO2 1834292367 MRTNSGVQJGNEMB-XAOCGEIJSA-N 455.475 -0.319 50 20 JBGD O=C(C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1)c1ccccc1 1834703655 FMGVPMOGGDONAT-QHCPKHFHSA-N 452.272 -0.681 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)c3cc(O)nc(O)n3)CC2)CC1)c1cccc(B(O)O)c1 1834800108 QZUMMEPGUJBRND-UHFFFAOYSA-N 469.307 -0.933 50 20 JBGD COc1cccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)c1C 1835932014 KPBIEQLCUUNEBC-RUZDIDTESA-N 482.342 -0.004 50 20 JBGD C[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1)c1ccccn1 1835934509 WDYWTHMKRMDIBO-UZUQRXQVSA-N 453.304 -0.365 50 20 JBGD O=C(CCc1c[nH]c2ncccc12)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835941485 LSJWHLAMPUHYOP-VWLOTQADSA-N 492.341 -0.055 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3ccnn3)CCO2)C1 1836205197 GCALIWQBTWWSPK-YWZLYKJASA-N 486.957 -0.133 50 20 JBGD Cc1nc2sccn2c1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1837143616 DAMVKFBOGUHVQO-JOCHJYFZSA-N 484.343 -0.232 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1cnccc1Cl)CCO2 1837775886 MQJROXCWNOCGJF-OAQYLSRUSA-N 459.695 -0.201 50 20 JBGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cn4[nH]cnc(=O)c4c3C)CCO2)C1 1838472596 RWHWZENCBFCSHQ-QRWLVFNGSA-N 467.910 -0.345 50 20 JBGD CCc1ncsc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1838837148 DJNBECLYFCEJKD-OAQYLSRUSA-N 459.333 -0.231 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839199814 VILZLTVDMUSRJE-WMLDXEAASA-N 459.077 -0.873 50 20 JBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)NCc2cccc(S(N)(=O)=O)c2)c1 916625480 KUBCVBMHJXHAGY-UHFFFAOYSA-N 455.518 -0.272 50 20 JBGD O=C(CCNS(=O)(=O)c1ccc2c(c1)OCCCO2)NNC(=O)N[C@H]1CCS(=O)(=O)C1 919884691 KIYVZHORNAXYIS-LBPRGKRZSA-N 476.533 -0.966 50 20 JBGD CN(C)c1ccc(C(=O)N2CC[C@@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)cn1 1779765826 WNGSYSYGKBYHMZ-JOCHJYFZSA-N 453.503 -0.097 50 20 JBGD CN(CC(=O)N1CC[C@@]2(CN(C(=O)/C=C\C(=O)NC3CC3)CCO2)C1)NC(=O)NCc1ccccc1 1780969033 SPSYJJOQIQAMEO-JRUKXMRZSA-N 498.584 -0.003 50 20 JBGD CN(CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1)NC(=O)NCc1ccccc1 1782013854 RNLSRWYBJQUKGI-NTKDMRAZSA-N 485.541 -0.066 50 20 JBGD C[C@H](NNc1ccccc1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786982354 ZOOPLWWXBKZJMA-DBXVSBKESA-N 466.347 -0.035 50 20 JBGD O=C(NC1(c2ccc(NC(=O)c3cc(=O)n4[nH]nnc4n3)cc2)CCC1)c1cccc(B(O)O)c1 1788409602 ZTBBRFBBMIJYJF-UHFFFAOYSA-N 473.258 -0.446 50 20 JBGD CN(C)c1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)cn1 1789025570 FNIPKJPRZMCOFU-IHPCNDPISA-N 452.320 -0.266 50 20 JBGD CC(=O)N[C@H](Cc1cccc(F)c1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1802040048 IJLJLUJBPRXPEH-IYRWYFENSA-N 497.332 -0.544 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@H]1CCN(C(=O)Cn2cnnn2)[C@@H]1c1cccnc1 1808415466 WRVCQJVIEGROAT-JMBUVSEHSA-N 464.490 -0.092 50 20 JBGD CC(=O)N[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3cnccc3C(=O)NN)CC2)CC1 1835738330 XCTVPUVURPXRMC-CQSZACIVSA-N 459.551 -0.605 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)Cc3ccccc3)C2)C1 1835932190 SKTPCXNHSMVFQJ-QPPBQGQZSA-N 468.315 -0.960 50 20 JBGD O=C(c1c[nH]c2nccc-2c1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835935463 FYGRARDMLVREEM-HSZRJFAPSA-N 464.287 -0.422 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccccc3O)C2)C1 1837461540 YHNPTTOCCNATJN-HSZRJFAPSA-N 469.498 -0.297 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCC(OC2CCN(C(=O)c3cc(CO)on3)CC2)CC1 1837921291 VNBVBKOTIIUULM-UHFFFAOYSA-N 457.292 -0.227 50 20 JBGD O=C(c1n[nH]cc1I)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1837963591 QWZDIPMIJUCVCA-XHDPSFHLSA-N 498.705 -0.316 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(CO)on1)CCO2 1838802443 ZSMCTJZMKGGADM-KURUZVKSSA-N 474.474 -0.629 50 20 JBGD CC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCS(=O)(=O)CC3)C2)C1 1839142131 FNODEHYISWBXHQ-YJBOKZPZSA-N 451.973 -0.809 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c(C4CC4)c3F)C2)C1 1840183578 MTYMQFAJPJRAQP-NRFANRHFSA-N 466.514 -0.131 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc4c(c3)CCNCC4)C2)C1 1840186060 YATGIFBNOBERIW-XMMPIXPASA-N 488.589 -0.787 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(CN(C(=O)CN(C)C(C)C)CCO2)C1 1840565582 PTPYOOWVZFAGOM-PCCDRTMGSA-N 462.551 -0.083 50 20 JBGD CCOC(=O)N1CCC(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)CC1 1840818263 UGQCTCVBIHPTKU-HSZRJFAPSA-N 497.593 -0.316 50 20 JBGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)CNS(=O)(=O)c2cn(C)c(C)n2)c1 725878463 MIUNERDTYMTELQ-UHFFFAOYSA-N 486.576 -0.501 50 20 JBGD O=C(COC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1)NNC(=O)c1ccc(Cl)cc1 753654244 HIEDRRGHZWNFMV-ZDUSSCGKSA-N 470.891 -0.190 50 20 JBGD CCN1CCN(CC(=O)NNC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)C(=O)C1=O 916105777 GFLJKXKKXLCDDV-UHFFFAOYSA-N 487.538 -0.383 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCCS3(=O)=O)C[C@@H]21 1787507543 BHDKEEKHUMMNSW-UKZVOZDVSA-N 479.559 -0.323 50 20 JBGD Cn1nc2c(c1C(=O)NC[C@@H]1OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]31)CCC2 1790461173 AVNKHXCAVBCADY-QSFXBCCZSA-N 452.320 -0.504 50 20 JBGD CC(C)(C)OC(=O)N1CC[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](O)CCl)[C@H](O)C1 1792972411 OJSAVGCNHGGBEE-DBWAAGBOSA-N 475.970 -0.206 50 20 JBGD C[C@@H](NC=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN(C)NC(=O)NCc1ccccc1 1799097955 XTKJJAFRMYFJQJ-PHXBYCTMSA-N 460.535 -0.943 50 20 JBGD COC(=O)[C@@H]1CC=CC[C@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1800950744 JZBKHOVHYKSQGM-QQXMDYFESA-N 456.304 -0.675 50 20 JBGD O=C(CN1CCOCC1)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1806904778 VSENSBBMYKREJS-UGKGYDQZSA-N 452.320 -0.587 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)c2cc(O)nc(O)n2)[C@@H]1c1cccnc1 1813070717 MNJQWJRSLOKINW-AUUYWEPGSA-N 457.491 -0.025 50 20 JBGD CCS(=O)(=O)N[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1815162305 IIFDBNNSMXNFEJ-DYVFJYSZSA-N 477.352 -0.277 50 20 JBGD O=C(c1nc2c(=O)[nH]c3ccccc3n2n1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830730530 AZHHGCISVODHCK-VFNWGFHPSA-N 490.904 -0.760 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4cccc(F)c34)C2)C1 1835931950 IUJGCGAFMMQLPB-HSZRJFAPSA-N 482.277 -0.234 50 20 JBGD Cc1cnn([C@@H](C)C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)c1 1835934161 NNADOMCLWUQLIN-JTSKRJEESA-N 456.308 -0.797 50 20 JBGD O=C(c1ccc(-n2cccn2)cc1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835939729 YLHBOKZLSZDTGS-RUZDIDTESA-N 490.325 -0.064 50 20 JBGD CNC(=S)NCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCBr)C2)C1 1837464075 HWKNMCZSJBMPMJ-MRXNPFEDSA-N 451.387 -0.288 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cncnc1C)CCO2 1838092818 WXDBXSXSTLWBOM-XDEFOSFOSA-N 469.502 -0.011 50 20 JBGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(N3CCN(C)CC3)CC1)CCO2 1839108809 RHDLQCRLJXZIKV-YLJYHZDGSA-N 458.987 -0.523 50 20 JBGD O=C(CC12CCCN1CCC2)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1839117489 PRHMBTAYVHLRHE-XMMPIXPASA-N 471.363 -0.545 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)n1ccnn1)CCO2 1839708300 PUSXNCJCHSTJFD-GOMWODOQSA-N 472.506 -0.571 50 20 JBGD CCOC(=O)C1(C(=O)N2CCO[C@]3(COCCN(C(=O)/C(C)=N/NC(=O)c4ccc[nH]4)C3)C2)CC1 1839760738 QSSPCWDRHKMGKB-LWROZRRASA-N 489.529 -0.080 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn4ncccc34)C2)C1 1840183856 DVRMQMDFUTUQOX-NRFANRHFSA-N 459.507 -0.828 50 20 JBGD COC(=O)C12CC(C(=O)N3CCOC[C@]4(CN(C(=O)CCC(=O)NN(C)C)CCO4)C3)(C1)C2 1840185491 QZFVRCONGCAKNI-HRTMPFAESA-N 466.535 -0.841 50 20 JBGD C[C@@H](Cn1ccnc1)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1840431542 KMSWKRWGVLNQOI-KSFYIVLOSA-N 471.518 -0.712 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)c2ncn3nc(N4CCOCC4)ccc23)C1 1843153947 TWIYCMHAVHCXAK-UHFFFAOYSA-N 490.329 -0.624 50 20 JBGD CN(C)S(=O)(=O)c1c[nH]c(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c1 915062993 OLNVCWOLVITAAT-UHFFFAOYSA-N 485.544 -0.639 50 20 JBGD CC(=O)N/C(=C\c1ccco1)C(=O)N1CC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1781866162 ABFRZWFUZWTAMG-ZAVKOYKVSA-N 461.519 -0.041 50 20 JBGD CC(C)(C)OC(=O)N1CCN(CC(=O)N2CC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)CC1 1785346038 YKPUJKYADKDDLK-HRAATJIYSA-N 474.986 -0.031 50 20 JBGD C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786983483 LHGGPZPIQFTROQ-XIVBQZFQSA-N 475.351 -0.127 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc4ccccc4n(C)c3=O)C[C@@H]21 1791291059 JRXJCNWWIILRTC-BXWFABGCSA-N 484.557 -0.100 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)[C@H](O)c1ccccc1Cl 1801198617 LFWISIIOHUQNRF-HRYATBACSA-N 458.707 -0.043 50 20 JBGD O=C(NC[C@H]1CCN(C(=O)c2cnc(O)nc2O)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807374247 GFSAMSYBUQNVNV-CRAIPNDOSA-N 463.259 -0.404 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1CCN(C(=O)[C@@H]2CNC(=O)O2)[C@@H]1c1cccnc1 1810294263 IZEZQSLNXMUQPK-RRQGHBQHSA-N 453.459 -0.492 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@H]1CCN(C(=O)[C@@H]2CNC(=O)O2)[C@@H]1c1cccnc1 1810294265 IZEZQSLNXMUQPK-XOKHGSTOSA-N 453.459 -0.492 50 20 JBGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1nccnc1C(N)=O)CC2 1826088445 XZSCDAYQNCJNAG-JTQLQIEISA-N 460.520 -0.369 50 20 JBGD C[C@@H](NC=O)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](CCl)NC(=O)OC(C)(C)C)CCO2 1832551293 HRYFEWBZVXRPLB-SIFCLUCFSA-N 476.958 -0.291 50 20 JBGD COc1cccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)n1 1832821646 PPIYWMXELDZNHY-DEOSSOPVSA-N 483.330 -0.527 50 20 JBGD CS(=O)(=O)c1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)nc1 1833597087 QLUWNWSZJOBEQQ-YJBOKZPZSA-N 461.924 -0.845 50 20 JBGD Cc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)n1 1834048920 CMULAQWURWBBDM-JOCHJYFZSA-N 454.487 -0.228 50 20 JBGD N[C@@H](Cc1cccnc1)C(=O)N1CCC(N2CCC(NC(=O)c3cccc(B(O)O)c3)CC2)CC1 1834799970 JPTNWMQAONTDHJ-QHCPKHFHSA-N 479.390 -0.483 50 20 JBGD C[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1)N1CSCSC1 1835938066 IAUGGVDTJBAICK-KKSFZXQISA-N 495.432 -0.521 50 20 JBGD Cc1ccc(O)c(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)c1 1835939358 NXVRIRWMLMDAHG-HSZRJFAPSA-N 454.288 -0.236 50 20 JBGD CCN(CC)C[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835939709 FIWWDGMIDOWSJG-JPYJTQIMSA-N 461.368 -0.586 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc4nc[nH]c4c3)CCO2)C1 1836932583 ZVUJEAVRUMGJTD-HSZRJFAPSA-N 479.497 -0.055 50 20 JBGD COC[C@H](NC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)Br)C2)C1 1837735867 BNHAENJDYQIKFJ-HACGYAERSA-N 450.330 -0.623 50 20 JBGD COc1ccnc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)c1OC 1838841670 ICNIHZICRAOJGQ-QFIPXVFZSA-N 479.534 -0.458 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CC(c3ccccc3)=NN1)CCO2 1839635702 BZOFEKUQWXJNJX-HYBUGGRVSA-N 486.573 -0.418 50 20 JBGD COc1ccc([C@H](O)C(=O)N2CCOC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)cc1 1840183269 WVPUXWUXVGUOAC-JTHBVZDNSA-N 478.546 -0.442 50 20 JBGD C[C@H](NC(=O)c1ccccc1)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1840901685 QLKQVMVXGUOVDS-AVRWGWEMSA-N 495.341 -0.745 50 20 JBGD COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)c1cccc(B(O)O)c1)C2 1846212293 UGQQVGBNIGXPCI-KRWDZBQOSA-N 489.334 -0.360 50 20 JBGD Cn1c(=O)c2c(ncn2CC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)C(C)(C)CCl)n(C)c1=O 1847435971 GXFYBSUMTRGSLB-STQMWFEESA-N 450.927 -0.100 50 20 JBGD Cc1noc(C)c1S(=O)(=O)N1CCN(CC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)CC1 15104170 PCHBOFYOIKIBFR-UHFFFAOYSA-N 466.476 -0.033 50 20 JBGD COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C 728179098 OLHFZRJLLUEAER-AWEZNQCLSA-N 461.562 -0.178 50 20 JBGD O=C(NCCCN1CCOCC1)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 915880524 HHDVKQGXFINYRF-UHFFFAOYSA-N 455.537 -0.626 50 20 JBGD C[C@H](CN1CCCC1=O)NC(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 918099853 CNEADWIAZFWSJW-MRXNPFEDSA-N 481.575 -0.019 50 20 JBGD Cc1cn2c(=O)c(C(=O)N3CC[C@]4(CN(C(=O)c5cccc(B(O)O)c5)CCO4)C3)cnc2s1 1777990037 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-0.048 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCc3ccccc3[C@H]1O)CCO2 1830821329 DMESHMJCYIBOQW-PLXFJCCSSA-N 494.353 -0.268 50 20 JBGD COc1cncc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)c1 1832913158 ZHUPJPTVTPCTNG-DEOSSOPVSA-N 483.330 -0.527 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ncc(Cl)cn1)CCO2 1833790163 KJESGCPIFUHOOV-LJQANCHMSA-N 454.915 -0.427 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)c3cc(N4CCCC4)ccn3)C2)C1 1835928289 ILXSNOLIBAPYIP-RUZDIDTESA-N 494.357 -0.255 50 20 JBGD COC(=O)CCCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835933837 GZPDQYAWHBFOAM-QHCPKHFHSA-N 476.335 -0.440 50 20 JBGD CCc1cnc(C(=O)N2CCOC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)s1 1835938067 IBHZXKCLSZEOBU-NRFANRHFSA-N 459.333 -0.231 50 20 JBGD C[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837461510 WVVZIXPCEWDZPW-SGTLLEGYSA-N 470.324 -0.462 50 20 JBGD CCOC(=O)c1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)ccn1 1838723764 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Cc1ccc(S(=O)(=O)NCc2ccco2)cc1C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 729275136 LVRZGCVPIRUJGO-GFCCVEGCSA-N 458.518 -0.235 50 20 JBGD Cc1nc[nH]c1CSCC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1778909527 QZXFDRRORUDNCQ-NRFANRHFSA-N 458.349 -0.225 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)c3ccc4nn[nH]c4c3)CCO2)C1 1779036930 JMTLJVXBDXRFSE-OAQYLSRUSA-N 450.459 -0.286 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)[C@H]3Cc4[nH]nc(C(F)(F)F)c4C3)C2)C1 1782846167 NDBFDPQKCHPGIF-SPLOXXLWSA-N 492.263 -0.033 50 20 JBGD Cc1nnc(CCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)s1 1785322603 GOHOIUMFMLMNAX-SZMVWBNQSA-N 458.349 -0.248 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3CCN(S(C)(=O)=O)CC3)[C@H]2C1 1788111284 PGYBTGKBXWNAKN-BZSNNMDCSA-N 487.623 -0.989 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCSCC3)C[C@@H]21 1788607727 BNECNXVDIOYJQO-WBAXXEDZSA-N 462.576 -0.673 50 20 JBGD CC[C@@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)C[C@@H]21 1789858728 KRZMMGOKCUTGDA-XQLPTFJDSA-N 480.953 -0.569 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccccc1-n1nccn1)C2)c1ccc(B(O)O)cc1 1795735975 MNPUNAVEXPZQHI-UPHUGPLXSA-N 461.287 -0.536 50 20 JBGD CC(=O)OC[C@@H](OC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C(C)=N/NC(=O)c1ccc[nH]1 1796441993 MGSKUQBDDIXYMX-VLEBAYPPSA-N 491.501 -0.795 50 20 JBGD C[C@@H]1Oc2ccc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)CCC(=O)NN(C)C)cc2NC1=O 1801011855 LTEHGVGZRCWVLB-VHQFLLTFSA-N 473.530 -0.018 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCC2(CCCN(C(=O)C[C@H]3NC(=O)NC3=O)C2)CC1 1806848981 ZPLUAUGORXQOLO-JOBSNELWSA-N 471.518 -0.050 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1810301687 CDUDDGPBZUCDEF-DYESRHJHSA-N 488.313 -0.607 50 20 JBGD CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)NC[C@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1813337853 JZRKTRGGFOAWDP-KKLQWCBXSA-N 498.588 -0.069 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnccn1)CCO2 1833973612 FEBQDFMTYZZFKT-XAOCGEIJSA-N 455.475 -0.319 50 20 JBGD C[C@@H](CN)C(=O)N1CCO[C@]2(COCCN(C(=O)CN(C)NC(=O)NCc3ccccc3)C2)C1 1835528681 GQXWUHNRAHZLQA-MBSDFSHPSA-N 476.578 -0.616 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)c3cccnc3Cl)C2)C1 1835926390 MLXBPPSUQVJIGP-OAQYLSRUSA-N 459.695 -0.201 50 20 JBGD O=C(Cc1ccc(F)cn1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835928353 LZGFBGCXWJGYTD-JOCHJYFZSA-N 457.267 -0.787 50 20 JBGD O=C(C/N=C/c1ccco1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835930227 DEFGPKCCGBQUHG-NWBNNPRYSA-N 455.276 -0.852 50 20 JBGD C[Si](C)(C)c1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)co1 1835930365 HODVEVOBMZYHPI-QHCPKHFHSA-N 486.406 -0.112 50 20 JBGD O=C(Cc1cc(F)ccc1F)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835933601 CZUNDVIVJQAAKT-HSZRJFAPSA-N 474.269 -0.043 50 20 JBGD O=C(c1ccc(OCCCO)cc1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835937972 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C[C@H](CS(C)(=O)=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCC(=O)NN(C)C)C1 1782210261 LECNLQBYHQQOJX-JXXFODFXSA-N 460.597 -0.446 50 20 JBGD Cn1cccc1C(=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2 1782608837 XLTSDGBELOGXOI-AUSIDOKSSA-N 453.304 -0.285 50 20 JBGD COc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)c([N+](=O)[O-])cc1O 1795740185 BCYRCEWCHOGDCJ-VTEUUUEMSA-N 485.258 -0.494 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)[C@@H]1C[C@@]12C(=O)Nc1ccccc12 1800764833 XCZAJCLFUZEAKR-OWFGBXLGSA-N 475.310 -0.520 50 20 JBGD CC(=O)NC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1803591225 FEQGDLGBQCFGQW-UYAOXDASSA-N 452.320 -0.004 50 20 JBGD NNC(=O)c1ccncc1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H](O)N1CCOCC1)CC2 1819797892 NZQIQDBQYVQYEP-NSPYISDASA-N 475.531 -0.982 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCCC3)CCO2)C1 1829872325 PPHXRKBCWJQIFO-ZRZWOPFXSA-N 460.535 -0.327 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1CCC(CO)CC1)CCO2 1832521489 CKVSBYVSXCAZIN-OCJFHSIUSA-N 475.546 -0.446 50 20 JBGD Cc1nc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)cs1 1832968240 YEHHHDIOGAISDM-OAQYLSRUSA-N 474.543 -0.237 50 20 JBGD CNC(=S)NCCC(=O)N1CCC(N2CCC(NC(=O)c3cccc(B(O)O)c3)CC2)CC1 1834801289 WRSDLESIUQLMAM-UHFFFAOYSA-N 475.424 -0.964 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC1CCN(C2CCN(C(=O)CN3CCOC3=O)CC2)CC1 1835734932 YWVIKHYIKXKIQK-UHFFFAOYSA-N 473.534 -0.678 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC1CCN(C2CCN(C(=O)Cc3cnc[nH]3)CC2)CC1 1835736788 HOKPBIBNCFWVIT-UHFFFAOYSA-N 454.535 -0.164 50 20 JBGD C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1)c1ccc(O)cc1 1835931643 VRSYYGNOOSHKHE-BXKMTCNYSA-N 468.315 -0.054 50 20 JBGD Cn1cc(C(=O)N2CCOC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)c(C(F)(F)F)n1 1835938371 TXWWTNPESCMMSO-FQEVSTJZSA-N 496.251 -0.498 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1nccc3nc[nH]c13)CCO2 1836457312 OHRZLNWIOGNURA-NRFANRHFSA-N 459.507 -0.599 50 20 JBGD COc1ccc([C@H](O)C(=O)N2CCOC[C@]3(CN(C(=O)c4cnccc4C(=O)NN)CCO3)C2)cc1 1837455857 GDVRGKWJYXPTCV-RDPSFJRHSA-N 499.524 -0.503 50 20 JBGD Cc1nc2ncccn2c1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837458767 BBLLGHVVGOKVOL-HSZRJFAPSA-N 494.512 -0.580 50 20 JBGD C[Si](C)(C)OCC(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccc(O)nn3)C2)C1 1837715843 MJDUUMGLNQNMBL-IBGZPJMESA-N 454.556 -0.131 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(-n3cccn3)nc1)CCO2 1838121045 SDLSGLQVSIWQEL-QHCPKHFHSA-N 485.545 -0.290 50 20 JBGD CCn1nc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)cc1C 1838149141 BYSPGPIHNCCCEX-QFIPXVFZSA-N 456.308 -0.725 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)c2cccc(N3CCCNC(=O)C3)n2)C1 1842305341 ZOWSIWFNJMAOEN-UHFFFAOYSA-N 492.540 -0.463 50 20 JBGD C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(S(=O)(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc2)C1 728510524 MHVUIJARURYZLR-HZSPNIEDSA-N 496.633 -0.400 50 20 JBGD Cn1cc(S(=O)(=O)NCC(=O)NNC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)cn1 729298321 BEAYOYVTQWSAJQ-UHFFFAOYSA-N 495.521 -0.082 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](O)CCl)C2 1783275937 WHIUTWIFBMTOMT-WPLACJGDSA-N 490.985 -0.131 50 20 JBGD CN1CC(C(=O)N2CC[C@]3(CN(C(=O)CN(C)NC(=O)NCc4ccccc4)CCO3)C2)C1 1784784296 OUSGTACGPVLFBI-QHCPKHFHSA-N 458.563 -0.276 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)c3ccc(N4C(=O)C=CC4=O)cc3)C2)C1 1785221570 KJDOZUJEPWMXCT-RUZDIDTESA-N 489.293 -0.447 50 20 JBGD COc1cnc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)c(F)c1 1786980159 PGSHGBLPFZFNSO-FNHZYXHNSA-N 457.267 -0.184 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=N)N)C[C@@H]21 1789222174 CLGUCEJYXYVLKE-NUTKFTJISA-N 462.463 -0.404 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)[C@H]1C[C@@]12C(=O)Nc1ccccc12 1791037739 HJLBIVJLISGXMH-UUGAXHFOSA-N 489.337 -0.130 50 20 JBGD O=C(Cc1ccc(Br)cn1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1794159095 DXAHDZMWEXSHRG-YVWYUNDQSA-N 488.147 -0.030 50 20 JBGD COCCOCCOCCOCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnccc1C(=O)NN 1798442826 IGXFCHVJFDETHV-BCDXTJNWSA-N 493.561 -0.367 50 20 JBGD O=C(NC[C@@H]1CCN(C(=O)CN2CCOCC2)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807371190 QWEJMLURKQTHGL-SIKLNZKXSA-N 452.320 -0.587 50 20 JBGD O=C(CCc1ccc(F)nc1)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1832831802 SCAVVPSFTDDXFJ-HSZRJFAPSA-N 471.294 -0.397 50 20 JBGD Cc1ccncc1CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1833009942 RRCWSBPBRPAZSH-XMMPIXPASA-N 467.331 -0.227 50 20 JBGD CCc1[nH]nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)c1F 1833736075 ZISOCSZGMIUNDS-OAQYLSRUSA-N 460.271 -0.825 50 20 JBGD O=C(NCC(=O)N1CCC(N2CCC(NC(=O)c3cccc(B(O)O)c3)CC2)CC1)c1cccnc1 1834800100 VWLUZVLJOXSKKC-UHFFFAOYSA-N 493.373 -0.623 50 20 JBGD CCOC(CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2)OCC 1835934516 WSZNFZVVHGDXHU-JOCHJYFZSA-N 464.324 -0.774 50 20 JBGD Cc1nc(F)ccc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835938185 OXUNWVJDDZTPQQ-JOCHJYFZSA-N 457.267 -0.407 50 20 JBGD C[C@H](Oc1ccccn1)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835939970 QZRUXGQUOIXTMB-SBUREZEXSA-N 469.303 -0.701 50 20 JBGD CCOC(=O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835940822 BKSWDFHXIZPRJH-JOCHJYFZSA-N 462.308 -0.974 50 20 JBGD O=C(NCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2)c1cccnc1 1839198543 HQCZIYBIQZUYBJ-YJBOKZPZSA-N 473.299 -0.042 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)c1onc3ccccc13)CCO2 1839545252 WKOBVXZHQZIIEX-QHCPKHFHSA-N 465.271 -0.109 50 20 JBGD CC(C)n1nc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)cc1C(=O)O 1840183488 HNDVTCQDDNOPPS-JOCHJYFZSA-N 494.549 -0.395 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc(O)n4c3CCCC4)C2)C1 1840185143 GQLHPHITPMXFSG-QFIPXVFZSA-N 478.550 -0.632 50 20 JBGD COCC(=O)N1CCCC12CN(C(=O)[C@H](Cc1ccc(B(O)O)cc1)NC(=O)OC(C)(C)C)C2 1842689693 JVBZHVFMRHRMIK-SFHVURJKSA-N 475.351 -0.348 50 20 JBGD CC(=O)N1CCN(CC(=O)N2CCCC23CN(C(=O)/C(C)=N/NC(=O)c2ccc[nH]2)C3)CC1 1843973678 ZUQRTXHNAGONOG-LFVJCYFKSA-N 457.535 -0.512 50 20 JBGD CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C(=O)N2CCCC23CN(C(=O)c2cnccc2C(=O)NN)C3)C1 1845106662 BHXLOJQSRYFFOC-SJORKVTESA-N 488.545 -0.270 50 20 JBGD Cc1csc(CC(=O)NNC(=O)COC(=O)c2ccc(S(=O)(=O)N[C@@H](C)CO)cc2)n1 728721743 FTZAMKWCWXPRQF-NSHDSACASA-N 470.529 -0.342 50 20 JBGD CC[C@@H](N=c1nn[nH]n1-c1ccccc1)C(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 729283399 PISFHASBLLPIQB-QGZVFWFLSA-N 472.531 -0.014 50 20 JBGD O=C(CS(=O)(=O)CC(=O)Nc1cccc(Br)c1)NNC(=O)C(=O)N1CCCC1 748240763 XGFDUEIJRBSCSO-UHFFFAOYSA-N 475.321 -0.428 50 20 JBGD COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NNC(=O)CNC(=O)c1cccs1 751208212 AUWQQGSZRGYQCM-UHFFFAOYSA-N 482.540 -0.031 50 20 JBGD C#CCNS(=O)(=O)c1ccc(C(=O)NNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)cc1 811277582 YQIKUZFQGGZVIE-UHFFFAOYSA-N 470.916 -0.026 50 20 JBGD COc1cc2c(cc1OC)[C@@H](CC(=O)NNS(=O)(=O)c1cnn(C)c1)N(S(C)(=O)=O)CC2 917728317 WNVFZRSPJKVSDE-OAHLLOKOSA-N 487.560 -0.304 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H]1CC(c3ccccc3)=NN1)CCO2 1779037016 MBYSJEDABPIGFM-HYBUGGRVSA-N 477.525 -0.105 50 20 JBGD CN(CC(=O)N1CC[C@@]2(CN(C(=O)CN3CCOCC3)CCO2)C1)NC(=O)NCc1ccccc1 1780970378 VBTKMJGALFXGRK-DEOSSOPVSA-N 488.589 -0.505 50 20 JBGD CC(C)NC(=O)OC(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1781019995 UDTYQOMOICXRCO-JOCHJYFZSA-N 461.324 -0.277 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)[C@H]3C[C@@]34C(=O)Nc3ccccc34)C2)C1 1783495523 YHIRMDPXLPWYJN-NGXZDTIWSA-N 475.310 -0.280 50 20 JBGD C[C@@H]1Oc2ccc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)c3ccc(B(O)O)cc3)cc2NC1=O 1795735019 JDDOKSLEOFMMMN-XTGKAWNFSA-N 479.298 -0.397 50 20 JBGD COC(=O)[C@@H]1CC=CC[C@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797753961 FUDRZDPSRBHMKY-UGEIDEBPSA-N 471.514 -0.356 50 20 JBGD CCS(=O)(=O)N[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1803510268 VUBSXMGEMOBULJ-BPAFIMBUSA-N 488.375 -0.591 50 20 JBGD Cc1cn(CC(=O)N2CC[C@H](CNC(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)c(=O)nc1O 1807363547 ABJSWZSADXBFCS-NQIIRXRSSA-N 491.313 -0.648 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)Cn2ccncc2=O)[C@@H]1c1cccnc1 1813073116 HKIQZMBUVPIAPR-VGOFRKELSA-N 455.519 -0.283 50 20 JBGD COC[C@@H](NC(C)=O)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cnccc2C(=O)NN)n[nH]1 1819403333 FJGLUGPWFHYKFW-IAGOWNOFSA-N 472.506 -0.135 50 20 JBGD CS(=O)(=O)Cc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)cn1 1830722561 DDYHRZBTYMFUTP-VQIMIIECSA-N 475.951 -0.704 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=N)N)CCO2)C1 1835574468 LZZGHEBMTHRKTM-HXUWFJFHSA-N 478.462 -0.927 50 20 JBGD Cn1ncc2c(C(=O)N3CCOC[C@]4(CN(C(=O)c5ccc(B(O)O)cc5)CCO4)C3)cccc21 1835930199 AUKPLLXZWMKBTO-DEOSSOPVSA-N 478.314 -0.363 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)c3cc[nH]c4nccc3-4)C2)C1 1835935892 WEKZCQOSPHXAKW-HSZRJFAPSA-N 464.287 -0.422 50 20 JBGD O=C(c1cc2cccnn2c1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835939061 CVAUFLLKPJRHAL-HSZRJFAPSA-N 464.287 -0.602 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)c1cc3n(n1)CCCC3)CCO2 1836977840 YDONJGHQXPBFSB-QHCPKHFHSA-N 468.319 -0.717 50 20 JBGD Cc1cnc2c(C(=O)N3CCOC[C@@]4(CN(C(=O)c5cnccc5C(=O)NN)CCO4)C3)cnn2c1 1837459168 KYIYZPIVPJQHIL-QHCPKHFHSA-N 494.512 -0.580 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3nccc4nc[nH]c34)C2)C1 1840184314 ZIHMBCMUNSHJGE-OAQYLSRUSA-N 459.507 -0.599 50 20 JBGD Cc1cn(CC(=O)N2CCO[C@]3(COCCN(C(=O)CO[Si](C)(C)C)C3)C2)c(=O)nc1O 1840807766 SJOOSHFCNIOQRH-HXUWFJFHSA-N 468.583 -0.435 50 20 JBGD CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843014625 HFIMWOHMVRLYGA-QGZVFWFLSA-N 461.324 -0.541 50 20 JBGD Cc1csc(CC(=O)NNC(=O)COC(=O)c2ccc(S(=O)(=O)NC[C@H](C)O)cc2)n1 728721854 JERHEWXMOSFWJQ-LBPRGKRZSA-N 470.529 -0.342 50 20 JBGD CCCC(=O)N[C@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2 1779518766 WLRDUXCHDWHXSP-ZDWFVDTJSA-N 459.352 -0.201 50 20 JBGD CC[C@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cn1cnc3c1c(=O)n(C)c(=O)n3C)C2 1780700641 VNZHBWLAEBUZIG-SMASLZHESA-N 494.980 -0.035 50 20 JBGD Cc1cn(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C3)c(=O)nc1O 1783117984 FVEJAGKSYJFZOA-OPAMFIHVSA-N 478.550 -0.856 50 20 JBGD COC[C@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)Cc3cn4c(nc3=O)SCC4)CCO2)C1 1783880769 FNGDBDTYXYBWRG-IFXJQAMLSA-N 456.952 -0.025 50 20 JBGD C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786982696 DJWGCIUNJYYWFR-CBVHJVASSA-N 475.351 -0.127 50 20 JBGD Cc1nnc(CCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)s1 1786984690 YRBAMCGSIVJIIX-SZMVWBNQSA-N 458.349 -0.248 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)[C@H]2C1 1789929496 PFSFHHIMLFQNRS-XSLAGTTESA-N 499.609 -0.385 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)[C@@H]1C[C@@]12C(=O)Nc1ccccc12 1791064350 AUSCMVOZWPCEIS-GHVLPECXSA-N 489.337 -0.130 50 20 JBGD CN(CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](O)N1CCOCC1)NC(=O)NCc1ccccc1 1798489024 NVRYRUKXMMYLNX-XAPVIXHLSA-N 488.589 -0.379 50 20 JBGD O=C(CCN1CCOC1=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1809531617 YFMODLNSGTUXSH-NQIIRXRSSA-N 466.303 -0.077 50 20 JBGD CCOC(=O)N[C@H](O)C(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1810097747 MFAFTUGUJKSXPW-XKGZKEIXSA-N 470.291 -0.855 50 20 JBGD COC[C@@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H](N)CN)CCN2C(=O)OCc2ccccc2)C1 1829049663 ISKTYIOISOFIDK-FGSXEWAUSA-N 481.981 -0.022 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3c[nH]c(=O)cn3)C2)C1 1832549011 ARJVTMFMLVNHAI-QKKBWIMNSA-N 499.952 -0.028 50 20 JBGD C[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)CCN3CCN(C)CC3)CCO2)C1 1835404678 KBSBJWMISBRYOU-APWZRJJASA-N 461.401 -0.136 50 20 JBGD Nc1nc2cc(C(=O)N3CCO[C@]4(COCCN(C(=O)c5ccc(B(O)O)cc5)C4)C3)ccc2s1 1835785803 OBPLFNWFAIZGAZ-QHCPKHFHSA-N 496.354 -0.058 50 20 JBGD O=C(c1ccc2c(c1)OCO2)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835928381 NHYFHDYOFHMKTM-HSZRJFAPSA-N 468.271 -0.521 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)c3cnc4ccccc4n3)C2)C1 1835937093 OABGKMGQPVYFIT-XMMPIXPASA-N 476.298 -0.307 50 20 JBGD COc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)c(OC)c1 1835939073 DOEDFYQPEAQRDW-XMMPIXPASA-N 484.314 -0.233 50 20 JBGD C[C@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCN(C)CC3)CCO2)C1 1836666690 VMVWPGLBPXPVIR-APWZRJJASA-N 461.401 -0.279 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(OCF)cn3)C2)C1 1837456022 AVIHLKMOWKEQGQ-OAQYLSRUSA-N 489.464 -0.835 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1c(O)cc(O)cc1O)CCO2 1839373758 XMLMHHZRYHDYBM-NRFANRHFSA-N 466.491 -0.754 50 20 JBGD N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)c5ccc(B(O)O)cc5)C4)C3)c2c1 1839488005 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N[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1)c1cccc(Cl)c1 1795734849 ZCBXENNPJNQPQB-WOUAJJJCSA-N 457.723 -0.077 50 20 JBGD C[C@H](NC(=O)c1cnccn1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Br)C2 1797872928 IPMZAZQZSJJDGR-CVNCSBKSSA-N 458.288 -0.125 50 20 JBGD COc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)c([N+](=O)[O-])c1 1799401653 ZYPVNDDKOHCOLJ-FAQVEIGNSA-N 483.286 -0.271 50 20 JBGD COc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)cc([N+](=O)[O-])c1OC 1799841682 QFXWMPWKXQTRBR-CWPLJXCYSA-N 499.285 -0.191 50 20 JBGD CC(C)(C)OC(=O)N1CC(F)(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)C1 1802198486 OOIUSZXODFSNBR-ALXJQNPVSA-N 491.325 -0.471 50 20 JBGD C[C@](O)(CC(=O)O)CC(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807374726 LYYNBEZPXMIWIF-FRGLQRNOSA-N 469.303 -0.303 50 20 JBGD CN(CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2)C(=O)c1ccccc1 1830726678 SWYMJHWOYXNLKF-UTKZUKDTSA-N 453.923 -0.185 50 20 JBGD O=C(O)c1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](F)Br)C3)C2)ncn1 1833497792 RPNIAABXKZQQRK-BLLLJJGKSA-N 461.244 -0.065 50 20 JBGD Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)nc1 1834376767 BKJVZAYSKWFZIJ-JOCHJYFZSA-N 454.487 -0.228 50 20 JBGD Cc1c(C(=O)N2CCC(N3CCC(NC(=O)c4ccc(B(O)O)cc4)CC3)CC2)cnn1C 1834797901 JPMKDENQAWJKJA-UHFFFAOYSA-N 453.352 -0.093 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(CN(C(=O)c3csc(N)n3)CCO2)C1 1835795599 BVWPDCDIKRZCKR-LJQANCHMSA-N 461.504 -0.892 50 20 JBGD CCn1nc(C)cc1C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835928731 WWNLPWHGWUEQFJ-QFIPXVFZSA-N 456.308 -0.725 50 20 JBGD CCS(=O)(=O)N[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](O)CCl)CC2)CC1 1836713642 JRVSFNYVBSUKJA-CJNGLKHVSA-N 453.989 -0.088 50 20 JBGD Cn1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)c2cccnc21 1837186580 OYMGLOGFYBCNOK-XMMPIXPASA-N 478.314 -0.363 50 20 JBGD Cc1noc(C)c1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837457251 ZGRIAXULVFXRDT-OAQYLSRUSA-N 458.475 -0.326 50 20 JBGD Cn1ccc2c(O)ncc(C(=O)N3CCO[C@]4(COCCN(C(=O)c5cccc(B(O)O)c5)C4)C3)c21 1838437886 YUOCYYNPZYPOCX-DEOSSOPVSA-N 494.313 -0.658 50 20 JBGD CN(CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3C[C@@H](O)C3)C2)C1)NC(=O)NCc1ccccc1 1839054024 CFJFMAUBJQUWCV-ROKPMTFOSA-N 489.573 -0.440 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc4snnc4c3)C2)C1 1840185876 UVSPPSWROWRQGY-FQEVSTJZSA-N 477.547 -0.471 50 20 JBGD Cn1c(=O)c2c(ncn2CC(=O)N2CCCC23CN(C(=O)[C@@H](F)Br)C3)n(C)c1=O 1841985036 OMLUJZLXZYVGNR-GFCCVEGCSA-N 471.287 -0.672 50 20 JBGD CCOC(=O)c1ncn2c1CC[C@H](C(=O)N1CC3(CCCN3C(=O)c3ccc(B(O)O)cc3)C1)C2 1843012080 BHNDUZTZVIRVRD-KRWDZBQOSA-N 480.330 -0.181 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(CO)on2)C1 1780217923 JUTKCCIODRVDNJ-DYESRHJHSA-N 458.475 -0.393 50 20 JBGD COc1nc(C)ccc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786983993 JLWSXMIWNCUGGU-VDGAXYAQSA-N 453.304 -0.014 50 20 JBGD COc1ccnc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)c1OC 1786984778 IJPFJKFGSCWTBV-IEZWGBDMSA-N 469.303 -0.314 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc3c(=O)[nH]c4ccccc4n3n1)C2)[C@H](O)CCl 1792981911 ZCGRZQSQISICSV-BAESOJJISA-N 460.878 -0.626 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CC(c3ccccc3)=NO1)C2)c1ccc(B(O)O)cc1 1795732717 CNYBQIKBMLUSKA-UDKICSLYSA-N 463.299 -0.237 50 20 JBGD CC(C)(C)OC(=O)NC[C@H](O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnccc1C(=O)NN 1798439582 LBBDFIAVJDBNQJ-LOUJCGABSA-N 476.534 -0.178 50 20 JBGD C[C@@H](C(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)N1CCN(C)CC1 1807892358 ILMREQXTVYXJGA-QTGUNEKASA-N 479.390 -0.283 50 20 JBGD O=C(Cn1ccncc1=O)N[C@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815348887 ZTFATYLKXPGQFD-AWEZNQCLSA-N 453.289 -0.694 50 20 JBGD NC(=O)c1nccnc1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827057448 FPNAPFFPYKBEDN-GOSISDBHSA-N 465.319 -0.198 50 20 JBGD CC(C)[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1831493484 SHLJJSDVCMNVAD-UZLBHIALSA-N 451.549 -0.291 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnnc(Cl)c1)CCO2 1833210817 VJZWHBROPLMLCU-LJQANCHMSA-N 454.915 -0.427 50 20 JBGD Cc1ncncc1C(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834798352 KYKOJFQOHGAYTC-UHFFFAOYSA-N 451.336 -0.036 50 20 JBGD O=C(Cc1ccccc1F)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1835002719 CVWLTPFFMHWYLR-QHCPKHFHSA-N 456.279 -0.182 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC1CCN(C2CCN(C(=O)CN3CCOCC3)CC2)CC1 1835737100 VZYSQFJGUDKRHU-UHFFFAOYSA-N 473.578 -0.798 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)[C@@H]3Cc4ccccc4N3)C2)C1 1835932273 XHOYQENKBIMCOL-XUZZJYLKSA-N 465.315 -0.527 50 20 JBGD C[C@H](NC(=O)c1cnccn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1837608850 KFOCELFDFVRQGI-YEWDVWPNSA-N 488.314 -0.258 50 20 JBGD Cc1cc(C)n(CCC(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)n1 1840346416 VAEQBKXQUMNLOR-HSZRJFAPSA-N 470.335 -0.660 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(O)cn3)CCO2)C1 1840497278 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O=C(c1n[nH]c2c1CS(=O)(=O)C2)N1CCO[C@@]2(CCN(C(=O)[C@H](F)Br)C2)C1 1781330632 CXVXAFWGPUDIHY-SWLSCSKDSA-N 465.301 -0.028 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)[C@@H]3CC(c4ccccc4)=NN3)C2)C1 1782601072 TZCYMRWBOYEEPS-XUZZJYLKSA-N 462.315 -0.424 50 20 JBGD COC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](Cc3cnc[nH]3)NC(C)=O)C[C@@H]21 1791256944 YZKSVKZRYKEWKP-FUJDEKNSSA-N 455.943 -0.310 50 20 JBGD CCOC(=O)N1CCC(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)CC1 1792143336 DRNNADXUXGITQI-JBACZVJFSA-N 487.362 -0.172 50 20 JBGD COC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)C1 1792966077 AKUGXJDKRJQAIE-KCTHJMFYSA-N 459.503 -0.522 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1CCN(c3ccccn3)CC1)C2)c1cccc(B(O)O)c1 1795739742 IDIBKHZYIHXTPZ-JHDGKUDLSA-N 478.358 -0.119 50 20 JBGD C[C@@H](Nc1cnccn1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797751553 FXSRMLPDHHJNCL-ZUMXRPEOSA-N 454.491 -0.821 50 20 JBGD CC(=O)N[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2)c1ccc(F)cc1 1799057268 GHWVTMOYSAFYLP-WOSNLTMFSA-N 477.537 -0.035 50 20 JBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@@]12C(=O)Nc1ccccc12 1800765523 WWDADIPPFUYTHJ-MXOIYWEBSA-N 469.542 -0.141 50 20 JBGD COC[C@H](NC(C)=O)C(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807361216 PKCSSNSSTYVTFD-HLAWJBBLSA-N 468.319 -0.768 50 20 JBGD C=CC(=O)N[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1810526700 KFGMLXKZPDJSJT-FQELHTAISA-N 450.304 -0.228 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCC([C@H]2CCCCN2C(=O)CN2CC(=O)NC2=O)CC1 1824969982 HMHCRHGFJWXQKM-QGZVFWFLSA-N 471.518 -0.530 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827058199 QGPJACBOUVFJBV-OAQYLSRUSA-N 479.346 -0.088 50 20 JBGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CNC(=O)OC(C)(C)C)CCO2 1830573800 QBMRASCMZIQMGQ-MDOVXXIYSA-N 479.958 -0.418 50 20 JBGD COC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](O)CCl)CCO2)C1 1830728869 YSDIZTLUSKGMGM-STXHMFSFSA-N 479.958 -0.418 50 20 JBGD CC(C)(C)OC(=O)NCCOCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1831133324 WGRPRXUKEDYFLG-IERDGZPVSA-N 493.985 -0.026 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnoc1C1CC1)CCO2 1834614813 XKHUBLMDZWKTBX-JOCHJYFZSA-N 470.486 -0.066 50 20 JBGD COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)cc1C 1835927193 LEPPPOMEVXIRPL-RUZDIDTESA-N 482.342 -0.004 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)c3cccnc3S)C2)C1 1835933699 AKPFMKFRCODCRO-NRFANRHFSA-N 457.317 -0.566 50 20 JBGD Cc1cc(C(N)=O)cc(C)c1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1837433508 AZUFMHZMSVIKPW-RUZDIDTESA-N 495.341 -0.534 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccncc3)C2)C1 1837459599 LKFLIVRZXOLGQF-JOCHJYFZSA-N 454.487 -0.607 50 20 JBGD CCC[C@@H](NC(C)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837460718 JRZHWIIVBHLNJR-XMSQKQJNSA-N 476.534 -0.940 50 20 JBGD CN(CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccnn1)CCO2)NC(=O)NCc1ccccc1 1837876206 JHTWTGGSQHHOON-DEOSSOPVSA-N 497.556 -0.107 50 20 JBGD C[C@@](Cl)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(=O)n4[nH]cnc4n3)C2)C1 1839151921 IGHLTFSDUBHQSK-QZTJIDSGSA-N 473.317 -0.276 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)n1ccnn1)CCO2 1839708302 PUSXNCJCHSTJFD-SDHSVNELSA-N 472.506 -0.571 50 20 JBGD C[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)CCO2)C1 1839718907 UPUJOASYQVLORP-UGSOOPFHSA-N 487.307 -0.004 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCCC12CN(C(=O)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1)C2 1846386243 QSBCEBDLJRGMLA-JOCHJYFZSA-N 467.567 -0.065 50 20 JBGD Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)NNC(=O)CNC(=O)c2ccco2)CC1 725741690 UIQXCYBQCZZHPR-UHFFFAOYSA-N 452.493 -0.402 50 20 JBGD C=CCNC(=S)NNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 725908780 SXFATDHLAOPWNQ-UHFFFAOYSA-N 469.589 -0.161 50 20 JBGD O=C(NNC(=O)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1)N[C@@H]1CCS(=O)(=O)C1 919886130 VCLXZBODEIPWIZ-CYBMUJFWSA-N 480.515 -0.117 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)c3ccc4nc(CO)[nH]c4c3)C2)C1 1777704713 DJBVRYJIFDVAHF-QHCPKHFHSA-N 464.287 -0.508 50 20 JBGD C[C@@H](Oc1cccnc1)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779034767 UULJGXZYRHGRRA-IVZQSRNASA-N 454.487 -0.009 50 20 JBGD Cc1cc(C(=O)NCC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cnccc3C(=O)NN)C2)no1 1779372643 RDHXLHXSVWHQEV-WZONZLPQSA-N 499.528 -0.461 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](O)CCl)C2 1783275935 WHIUTWIFBMTOMT-FQSKDFRHSA-N 490.985 -0.131 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(Cl)c4nncn4c3)C[C@@H]21)c1ccc(B(O)O)cc1 1786979595 BNJIJXHUIHURJB-FNHZYXHNSA-N 483.721 -0.030 50 20 JBGD O=C1CC[C@@H](C(=O)N2CSC[C@@H]2C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C(Cl)Cl)[C@H]3C2)N1 1791296517 VHLXXDOIFODNNW-YHQUGGNUSA-N 493.413 -0.050 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(Cl)nc3n[nH]cc13)C2)c1cccc(B(O)O)c1 1795739196 ZGEBEDWWLRTFGP-IVWMJMPLSA-N 469.694 -0.192 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]c3c1CCc1ncccc1-3)C2)c1cccc(B(O)O)c1 1795740251 KKWCENBGUAFBSZ-VPTLXERWSA-N 487.325 -0.233 50 20 JBGD CN1CCN(CC(=O)N2CC[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)CC1 1807363897 QCLJWUWRUHCXDM-NZQKXSOJSA-N 465.363 -0.672 50 20 JBGD O=C(NC[C@@H]1CCN(C(=O)c2cc(=O)n3[nH]cnc3n2)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807370378 CDEWRSKLCYZANP-OXJNMPFZSA-N 487.285 -0.874 50 20 JBGD CCNC(=S)NCC(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1812330096 FQNFYIPZGCTSJZ-XLIONFOSSA-N 469.376 -0.435 50 20 JBGD O=C(Cn1ccccc1=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cccc(B(O)O)c1)CC2 1815443092 UTQQGGNALWAJKZ-HNNXBMFYSA-N 452.301 -0.089 50 20 JBGD CC[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)C[C@H]3NC(=O)NC3=O)CCO2)C1 1832696005 AYSFBLJBXPATJB-JKDFXYPNSA-N 461.313 -0.786 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccnc1C(N)=O)CCO2 1833309532 JCPQLVRUFBSNMB-HGQHNSGJSA-N 497.512 -0.616 50 20 JBGD C[C@H](C(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1)n1cncn1 1834798889 GTDNAIADIXJNBJ-MRXNPFEDSA-N 454.340 -0.596 50 20 JBGD CSc1ncccc1C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835938331 SGFIKLGXKKQZMU-QFIPXVFZSA-N 471.344 -0.133 50 20 JBGD O=C(CCn1cncn1)N1CCC(OC2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1837922196 WTXQIWJLWPYJHO-UHFFFAOYSA-N 455.324 -0.340 50 20 JBGD O=C(c1cc(=O)nc2cccnn12)N1CCO[C@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1838503069 AOGMLSYLUWXDNW-GOSISDBHSA-N 456.286 -0.037 50 20 JBGD CC(C)[C@@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)CN(C)NC(=O)NCc3ccccc3)CCO2)C1 1839054125 IBSJVCGWOLCIPY-ZJSXRUAMSA-N 491.589 -0.194 50 20 JBGD CCCC[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 22312656 DNCPTTUCTJWBNA-JSGCOSHPSA-N 456.546 -0.134 50 20 JBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NCCCN3CCC[C@@H]3C(=O)N(C)C)nc2)CC1 726277710 QAJXPOLBLZUQKL-GOSISDBHSA-N 496.638 -0.414 50 20 JBGD CCOC(=O)c1ccc(S(=O)(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c(Br)c1 728510001 SYCVSLBNDFFRJQ-QMMMGPOBSA-N 472.339 -0.127 50 20 JBGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)NCCCN(C)S(C)(=O)=O)c1 916580381 SVEPQNMWKUQCFT-UHFFFAOYSA-N 463.582 -0.057 50 20 JBGD CSCC[C@H](NC(=O)COc1ccccc1)C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 919885244 KYLWQEXOQVSZSA-ZFWWWQNUSA-N 458.562 -0.179 50 20 JBGD O=C(COC(=O)c1ccc(CN2C(=O)CNC2=O)cc1)NNC(=O)[C@@H]1COc2ccccc2O1 921182561 BLTCRTMXMUYPMQ-KRWDZBQOSA-N 468.422 -0.117 50 20 JBGD COc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)cc1OC 1795735022 JKJFAPUXFJCBAB-UPHUGPLXSA-N 454.288 -0.099 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCn1c(=O)oc3ccccc31)C2)c1cccc(B(O)O)c1 1795737298 QCDAFOTZWDJUHW-FAQVEIGNSA-N 479.298 -0.432 50 20 JBGD COC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1796394318 MTIDWHRHRIXGCJ-NBMJBFSESA-N 491.350 -0.891 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(-n2cccn2)nc1 1798213102 UFWKUUPNWBTYFB-CWPLJXCYSA-N 476.497 -0.217 50 20 JBGD C[C@H](NC(=O)c1ccc(F)cc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2 1799050807 XIDHZTODNPEVCJ-WGVRVLLMSA-N 477.537 -0.093 50 20 JBGD CC(C)(C)OC(=O)N1C[C@H]2C[C@@]2(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)C1 1800714454 GDRPMAMKUGSYGC-ZTDQHOIESA-N 499.373 -0.173 50 20 JBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1)C2 1801012094 CDUGYHNRVARFFK-QIEVIBBNSA-N 497.593 -0.679 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1CCN(C(=O)C[C@H]2NC(=O)NC2=O)[C@H]1c1cccnc1 1808408192 HCBFVDPPYOKVTF-JFBHGALFSA-N 494.512 -0.181 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@H]1CCN(C(=O)CN2CCOC2=O)[C@@H]1c1cccnc1 1810294996 PEGLKMOLPRBKRL-DNVCBOLYSA-N 467.486 -0.148 50 20 JBGD O=C(CNC(=O)c1ccco1)NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1834868127 GCLOJQVCESYIPE-UHFFFAOYSA-N 482.346 -0.425 50 20 JBGD Cn1ncc2cc(C(=O)N3CCOC[C@]4(C3)CN(C(=O)c3cnccc3C(=O)NN)CCO4)ccc21 1837459604 SSCQPVNNEZKBET-DEOSSOPVSA-N 493.524 -0.044 50 20 JBGD CCOC(=O)N[C@@H](O)C(=O)N1CCC(OC2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1837921311 XJEUAHOIOIPINK-IBGZPJMESA-N 477.323 -0.957 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCNC(=O)C1)CCO2 1840230056 XPNVCGLAMBPJLS-BACQRBPLSA-N 474.518 -0.897 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)Cc2cn3c(nc2=O)SCC3)C1 1845021972 ALBGGSSSKCIOHT-UHFFFAOYSA-N 454.317 -0.912 50 20 JBGD C[C@@H]1Oc2ccc(C(=O)N3CC[C@@]4(CN(C(=O)c5cccc(B(O)O)c5)CCO4)C3)cc2NC1=O 1780176138 IHPYSXQGMGKIEU-OWJWWREXSA-N 479.298 -0.157 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)c3ccccc3-n3nccn3)C2)C1 1781837377 KQEDJNPDFSEQQR-QHCPKHFHSA-N 461.287 -0.296 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](O)CNC(=O)OC(C)(C)C)C2 1782210522 XVIJMVLZDXAVAV-YGKZAACZSA-N 499.609 -0.241 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@]2(CCN(C(=O)Cn3cc(C)c(O)nc3=O)C2)C1 1785351363 QFVXEYSJXIBVOP-IBUSPFOHSA-N 485.501 -0.779 50 20 JBGD N[C@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1cccnc1 1786930006 PNNRURDRMOQAHK-WJMWBRGCSA-N 452.320 -0.555 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](CO)NC(=O)OC(C)(C)C)[C@H]2C1 1787395132 WRRZKSJRBQZFPF-QAETUUGQSA-N 485.582 -0.775 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CC(=O)N(Cc3cccs3)C1)C2)c1cccc(B(O)O)c1 1795737256 LDSDJTFYWKGZAT-AYMMHLMVSA-N 497.382 -0.320 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CSc1nc[nH]n1)C2 1796446067 LESDEVFLSPNKGE-NNGSTNBRSA-N 460.520 -0.380 50 20 JBGD COC[C@H](NC(C)=O)C(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807361220 PKCSSNSSTYVTFD-JBACZVJFSA-N 468.319 -0.768 50 20 JBGD CS(=O)(=O)CCC(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1813575031 UDBFVYVFSPMCGX-YLJYHZDGSA-N 459.333 -0.484 50 20 JBGD O=C(COc1cccnn1)N[C@@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815361766 RGFFJAVTQCRFPB-CQSZACIVSA-N 453.289 -0.082 50 20 JBGD O=C([C@H](O)CCl)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCc3nc(O)nc(O)c3C1)CCO2 1833024228 GKWVTDJKALZDDQ-URFZZILJSA-N 470.910 -0.951 50 20 JBGD CCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)cn1 1833888789 YFUNZEQLWOWFTP-QHCPKHFHSA-N 453.304 -0.292 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC1CCN(C2CCN(C(=O)c3cncnc3)CC2)CC1 1835737011 GYVNEOZNJWPJHK-UHFFFAOYSA-N 452.519 -0.026 50 20 JBGD COc1ccsc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835931095 FYRPFDZSGZWSLU-OAQYLSRUSA-N 460.317 -0.180 50 20 JBGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(CS(C)(=O)=O)nc3)CCO2)C1 1836380685 BBNNAIDNEWOPPM-XLIONFOSSA-N 489.978 -0.050 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1n[nH]c3ccccc13)CCO2 1836939557 KYBDILAMISTFDF-HSZRJFAPSA-N 464.287 -0.374 50 20 JBGD Cc1c(C(=O)N2CCOC[C@]3(CN(C(=O)c4cnccc4C(=O)NN)CCO3)C2)cnn1C 1837456898 PLPMFEGTLFPLNM-OAQYLSRUSA-N 457.491 -0.889 50 20 JBGD Cc1cnn([C@@H](C)C(=O)N2CCOC[C@]3(CN(C(=O)c4cnccc4C(=O)NN)CCO3)C2)c1 1837461403 VOCUUTSHLSEKMI-KSFYIVLOSA-N 471.518 -0.479 50 20 JBGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](Cc3cnc[nH]3)NC(C)=O)C2)C1 1840156029 MJEITBXXMLSMIF-HLIPFELVSA-N 471.942 -0.833 50 20 JBGD NC(=O)c1ccc(N2CCN(C(=O)NNC(=O)C3CCN(c4ncccn4)CC3)CC2)nc1 728960170 VFZGVVBTHGCFLW-UHFFFAOYSA-N 453.507 -0.250 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)Cn2ccncc2=O)C1 1781486038 HTGUACQNIKYNEP-VGOFRKELSA-N 469.502 -0.931 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)[C@@H]1CC(=O)N(C2CCCC2)C1 1784968552 YEGSPMGCYGUUAC-UDKICSLYSA-N 483.374 -0.249 50 20 JBGD CC(C)(C)OC(=O)N1CC[C@H]1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786983745 YTVSNFHXIGVDGR-LEAZDLGRSA-N 487.362 -0.031 50 20 JBGD CN(C)c1cncc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)c1 1786984555 ODYGFSHZIBAQRF-NDXORKPFSA-N 452.320 -0.266 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)Cc3ccccc3)[C@H]2C1 1790957876 FAUQLCBMLSECNW-DVWBAYGPSA-N 467.526 -0.118 50 20 JBGD CCOC(=O)c1ncn2c1CC[C@H](C(=O)N1C[C@@H]3COC[C@H](C1)[C@@H]3NC(=O)[C@H](O)CCl)C2 1792983156 BESDZMKXQGIQFX-CTTHAOKLSA-N 468.938 -0.189 50 20 JBGD CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)Br 1800762546 DAMNTTAEGULQMA-MIGXYKPQSA-N 456.341 -0.170 50 20 JBGD CCNC(=S)NCC(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807372439 FNMRAPBJGJXJIP-PXNSSMCTSA-N 469.376 -0.435 50 20 JBGD O=C(N[C@H]1CCc2nc(NC(=O)c3cc(=O)n4[nH]cnc4n3)sc2C1)c1cccc(B(O)O)c1 1815328177 KGZLYKUNNXTIPJ-LBPRGKRZSA-N 479.287 -0.907 50 20 JBGD CN[C@@H](CC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cnccc2C(=O)NN)CC1)C(=O)O 1826944786 CQZUNVGQPXKRJG-ROUUACIJSA-N 460.535 -0.019 50 20 JBGD O=C([C@@H](O)CCl)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3C[C@@]34C(=O)Nc3ccccc34)C2)C1 1830739050 XFQNXQBJJMLEFI-FVFSHSICSA-N 463.918 -0.048 50 20 JBGD O=C(CSc1ccncc1)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1832706063 OFJHAPPEYYRGNU-JOCHJYFZSA-N 471.344 -0.376 50 20 JBGD CC(=O)OC[C@H](OC(C)=O)C(=O)N1CCOC[C@]2(CN(C(=O)CCBr)CCO2)C1 1834823282 MDODBIZSOMNCKK-YJBOKZPZSA-N 479.324 -0.277 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](N)c1ccccn1)CCO2 1835700934 XDNOACMRVGVRGC-LJSITOCPSA-N 483.529 -0.328 50 20 JBGD Cc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)cc(O)n1 1835928695 VSWJZMHIOKMBOJ-QFIPXVFZSA-N 455.276 -0.841 50 20 JBGD O=C(c1ccc2nc[nH]c2c1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835930249 FKXUWNZREYTVST-HSZRJFAPSA-N 464.287 -0.374 50 20 JBGD Cc1ncc(/C=C/C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)s1 1835934461 TZUFUVLOOAMNSR-XYXUZSOXSA-N 471.344 -0.085 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CNc4ccccc43)C2)C1 1835935405 DRVZFRGMQILZFP-HYBUGGRVSA-N 465.315 -0.354 50 20 JBGD COc1nccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)c1F 1836239219 CIHPYBDFDMNVLD-OAQYLSRUSA-N 467.498 -0.328 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnn3cccc(F)c13)CCO2 1839619248 CAYSMSQJESUSPW-HSZRJFAPSA-N 497.487 -0.144 50 20 JBGD CC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C2)C1 1839877731 HTWNMSRYRHNDTF-DIJUQXPGSA-N 462.507 -0.899 50 20 JBGD C[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4n(n3)CCNC4=O)C2)C1 1840031750 BHAWOIJQVOILAJ-KZULUSFZSA-N 470.324 -0.520 50 20 JBGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1840034051 YWICYQDGTGTUBD-KPZWWZAWSA-N 470.324 -0.462 50 20 JBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3C(=O)CSC3=S)C2)C1 1840156267 LYEVNZBUATWCKH-SJCJKPOMSA-N 465.981 -0.443 50 20 JBGD COCCOCCOCCOCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1840190720 JXPDRJNAJYSCDK-LJQANCHMSA-N 487.377 -0.057 50 20 JBGD C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1840907052 OOMKFULDWIAACJ-GCKMJXCFSA-N 473.954 -0.041 50 20 JBGD CC[C@@H](O)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](Cc1ccc(B(O)O)cc1)NC(=O)OC(C)(C)C 1847492828 NJWUKMHHYCCMRU-LWYYNNOASA-N 489.378 -0.225 50 20 JBGD Cc1nc2nc(N)nn2c(C)c1CC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 728213425 KTTIKVHVFPSYIL-UHFFFAOYSA-N 473.563 -0.055 50 20 JBGD CCOC(Cn1cc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)nn1)OCC 748546426 JWULKWRAAHINHZ-UHFFFAOYSA-N 496.546 -0.227 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)[C@H]3ON=C(c4ccccc4)O3)C2)C1 1778870528 VSOJBVFBNWEULE-PKTZIBPZSA-N 465.271 -0.455 50 20 JBGD CN(C)c1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)cn1 1779032195 GKBCRVVOCNWIQV-JOCHJYFZSA-N 453.503 -0.097 50 20 JBGD CN1CCN(C2(C(=O)N3CC[C@H]4OCCC[C@@]4(CNC(=O)c4cnccc4C(=O)NN)C3)CC2)CC1 1779374558 OKJAZSFQKNIZRO-HYBUGGRVSA-N 499.616 -0.407 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3CN(C(=O)OC(C)(C)C)CCO3)C2)C1 1785725917 VCACMFSQXQFSCW-SBUREZEXSA-N 497.593 -0.175 50 20 JBGD O=C1Cc2cc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)c5ccc(B(O)O)cc5)[C@H]4C3)ccc2N1 1786979833 SKGNPQDICSPGGS-LRQRDZAKSA-N 463.299 -0.232 50 20 JBGD Cc1nn(C)c(C)c1CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1 1788611232 POEPKFQFMDFHTD-YSSFQJQWSA-N 469.546 -0.129 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=C3c4ccccc4C(=O)N3CC1)C2)c1ccc(B(O)O)cc1 1795735030 KGQNDOWEDFBXQL-FAQVEIGNSA-N 487.321 -0.160 50 20 JBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2 1797751692 PBASNQNFWWEALD-CWPLJXCYSA-N 455.515 -0.413 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1C(=O)CNC1=O)C2 1798522586 AWQLQGDRHOBGMQ-DBWKPXFBSA-N 489.441 -0.725 50 20 JBGD CN(C)NC(=O)CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1CCN(S(C)(=O)=O)CC1)C2 1802335954 CARSHOBXCVXPHZ-BJWYYQGGSA-N 457.597 -0.331 50 20 JBGD CN(C)C(=O)NCC(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807360262 PVIJDCWICAYKRP-PXNSSMCTSA-N 453.308 -0.648 50 20 JBGD COc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1830231077 MNKLOXIEVOBRDB-XMMPIXPASA-N 499.524 -0.157 50 20 JBGD C[C@H](Br)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)CS(C)(=O)=O)CCO2 1831463073 BYINMBLJYACSGH-WWGRRREGSA-N 455.371 -0.093 50 20 JBGD Cc1cc(C(=O)NCC(=O)NC2CCN(C3CCN(C(=O)CCC(=O)NN(C)C)CC3)CC2)no1 1835773497 PTICCAQZNMYFHG-UHFFFAOYSA-N 491.593 -0.343 50 20 JBGD O=C(CSc1ncccn1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835928548 RFMBNXTYWAWZCS-NRFANRHFSA-N 472.332 -0.981 50 20 JBGD O=C(c1ccc2nc(CO)[nH]c2c1)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835936779 CNCIYSYHQBMTOX-DEOSSOPVSA-N 494.313 -0.881 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)c3cccc4c3OCC4)C2)C1 1835937083 NWKVOGYLDUXMTA-DEOSSOPVSA-N 466.299 -0.315 50 20 JBGD COCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CN(C)NC(=O)NCc1ccccc1)CCO2 1839054153 IXVFBXFINKPVEA-QFIPXVFZSA-N 463.535 -0.565 50 20 JBGD Cn1cc2cc(C(=O)N3CCO[C@@]4(COCCN(C(=O)c5ccc(B(O)O)cc5)C4)C3)ccc2n1 1839504816 UMXVTFGCIUEOIR-XMMPIXPASA-N 478.314 -0.363 50 20 JBGD CC(=O)Nc1ccccc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1840723433 GTEYDSZMMBKAIR-DEOSSOPVSA-N 481.314 -0.291 50 20 JBGD CC[C@H](NC(N)=O)C(=O)N1CC2(CCCN2C(=O)CN(C)NC(=O)NCc2ccccc2)C1 1845038702 JWIPNARCGIOJIV-KRWDZBQOSA-N 459.551 -0.017 50 20 JBGD O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NNC(=O)[C@H]1CCS(=O)(=O)C1 732308401 ZMJBFWGORFUFMU-ZDUSSCGKSA-N 456.546 -0.132 50 20 JBGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)COC[C@H]1CCCO1 746387833 QVNNEGWJNSGSCI-QGZVFWFLSA-N 455.533 -0.017 50 20 JBGD CCS(=O)(=O)N[C@H](CCSC)C(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 818819401 WYRILJRYHOTMTJ-CQSZACIVSA-N 466.607 -0.241 50 20 JBGD COCCn1cnc2c1c(=O)n(CC(=O)NN=Cc1ccnn1C)c(=O)n2Cc1ccccc1 914559326 JFRJNGPFEKCCBQ-UHFFFAOYSA-N 464.486 -0.062 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2 1778091194 QLGCCUBUVOMERU-UQPPNZDLSA-N 495.345 -0.372 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)c3nc(O)n4c3CCCC4)C2)C1 1779343782 WZHKGWFKQKSKCO-JOCHJYFZSA-N 454.292 -0.638 50 20 JBGD CN(CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1=NNC(=O)C1)C2)NC(=O)NCc1ccccc1 1780559562 RVLUKDIPUBMSPK-NTKDMRAZSA-N 499.572 -0.278 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)c3nc4cc([N+](=O)[O-])ccc4[nH]3)C2)C1 1782182667 WTNHXPZZHGIARA-JOCHJYFZSA-N 479.258 -0.092 50 20 JBGD C[C@@H](Br)C(=O)N1CC[C@]2(CN(C(=O)CN3CCS(=O)(=O)CC3)CCO2)C1 1783529819 NUYVFFQRXOBHLU-CJNGLKHVSA-N 452.371 -0.670 50 20 JBGD Cc1nnc(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)s1 1794105937 ABKZAKWGFIQISJ-IVWMJMPLSA-N 459.532 -0.319 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Br)C2)c1n[nH]c2c1CS(=O)(=O)C2 1795930288 XTSBNBSYPURRKJ-XXEYQXHCSA-N 465.301 -0.268 50 20 JBGD C[C@@H](O)[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1 1796188074 ZPQYLHVZEBVWAQ-JLMLEOCNSA-N 479.342 -0.202 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](Cc1ccc(B(O)O)cc1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN)C2 1796908331 OTBALSSCFVYFCR-RDGPPVDQSA-N 474.367 -0.601 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NNC(=O)C1)C2 1798524830 LWQBYXRPGIFFJU-KSPBDQMDSA-N 459.415 -0.401 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](N)CCC(N)=O)[C@@H]1c1cccnc1 1808414565 KGELWHTXBQKCJC-HJNBRIKBSA-N 482.545 -0.186 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1CCN(C(=O)[C@@H]2C[C@H](O)CN2)[C@@H]1c1cccnc1 1808416158 FZXCXWFEDPPVOK-XKXFTIQBSA-N 467.530 -0.056 50 20 JBGD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2n[nH]c3c2CS(=O)(=O)C3)[nH]n1)c1ccc(B(O)O)cc1 1817470961 ANTSBCFCVIUZBP-QGZVFWFLSA-N 498.330 -0.139 50 20 JBGD CCOc1ncccc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1829540385 HFTIDZWZVHAKFC-HSZRJFAPSA-N 484.513 -0.137 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)COCCO)C2)C1 1832551607 QCKCFQIEXGCNMA-YWZLYKJASA-N 479.958 -0.416 50 20 JBGD COC(=O)CSCC(=O)NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1833479996 QNKWGQIQJDLLEK-UHFFFAOYSA-N 477.392 -0.542 50 20 JBGD Nc1nc(C(=O)N2CCC(N3CCC(NC(=O)c4cccc(B(O)O)c4)CC3)CC2)cs1 1834801304 YIRFIZVVSYLHFH-UHFFFAOYSA-N 457.365 -0.096 50 20 JBGD CCOC(=O)N[C@@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)CCBr)CCO2)C1 1834823339 OYBHGQNCKQLRAY-BBRMVZONSA-N 452.302 -0.708 50 20 JBGD O=C(c1cnnc(Cl)c1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835927111 GKUNURMUYZLDRD-FQEVSTJZSA-N 460.683 -0.806 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc3ncccn3n1)CCO2 1836873498 ARTVDEWUFYPFRI-NRFANRHFSA-N 459.507 -0.828 50 20 JBGD CC[C@H](NC(N)=O)C(=O)N1CCC(OC2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1 1838069544 VMKWLKINERPYQB-KRWDZBQOSA-N 454.572 -0.195 50 20 JBGD N#Cc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)c1 1838907124 AMHLNNOPXZJFBI-QHCPKHFHSA-N 464.482 -0.059 50 20 JBGD Cc1nc2ccc(F)cn2c1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1839526254 IHJROJLWXMYKLX-XMMPIXPASA-N 496.304 -0.155 50 20 JBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(CS(C)(=O)=O)nc3)C2)C1 1840151646 JOMPGDJZUHHYRN-PXNSSMCTSA-N 489.978 -0.050 50 20 JBGD CCC[C@@H](NC(C)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840186629 BSANNZMVWBLSMM-DYESRHJHSA-N 455.556 -0.879 50 20 JBGD O=C(c1n[nH]cc1I)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843014187 ITRJPTHWLSNXRR-UHFFFAOYSA-N 480.071 -0.175 50 20 JBGD CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843015336 DYWUVWCVUFJKKK-QGZVFWFLSA-N 489.334 -0.360 50 20 JBGD COc1ccc(CC(=O)NNC(=O)CNC(=O)c2cccs2)cc1S(=O)(=O)N1CCOCC1 751211590 TXKGXWHXFWDUQP-UHFFFAOYSA-N 496.567 -0.103 50 20 JBGD CNS(=O)(=O)c1ccc(F)c(C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c1 787968917 LLOWYBZGGCGQFQ-INIZCTEOSA-N 467.431 -0.122 50 20 JBGD O=C(CCCn1cncn1)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 917388126 XWNDAZLVIKNJFS-UHFFFAOYSA-N 450.521 -0.141 50 20 JBGD Cn1c(=O)c2c(ncn2CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)[C@H](F)Cl)C2)n(C)c1=O 1778024193 RWLIAVKCFIXAKI-UFAGZECESA-N 484.916 -0.518 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)[C@H]3ON=C(c4ccccc4)O3)C2)C1 1778867290 ISWSRXDIASYVJX-PKTZIBPZSA-N 465.271 -0.455 50 20 JBGD Cn1cc(C(=O)N2CC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)c(C(F)(F)F)n1 1779542945 XJYVIUJRPZJIHS-LJQANCHMSA-N 466.225 -0.124 50 20 JBGD COC(=O)NCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C(C)=N/NC(=O)c1ccc[nH]1)C2 1782396793 WOURNSKXEXRIPE-BBPCXNGUSA-N 462.507 -0.010 50 20 JBGD COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1783600345 KKGFZWJMMRXQJQ-YRVVQQKDSA-N 477.942 -0.128 50 20 JBGD O=C(NC1(c2ccc(NC(=O)[C@@H](O)N3CCOCC3)cc2)CCC1)c1cccc(B(O)O)c1 1789554553 JLDMRAUOAMXTFT-JOCHJYFZSA-N 453.304 -0.235 50 20 JBGD COc1ccc([C@H](O)C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)cc1 1792713245 NQSFDQGOWVUJDK-JWWGGVBKSA-N 454.288 -0.688 50 20 JBGD CC(C)(C)OC(=O)N[C@H]1C[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)C1 1795741392 YQCJLFCDJYCNIF-LHMCCDAXSA-N 487.362 -0.127 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(N3CCN(C)CC3)CC1)C2 1796443948 RMWUSCXJRQLAET-MPJLXYMISA-N 485.589 -0.510 50 20 JBGD CC(=O)N1CCN(CC(=O)NC[C@@H]2CCN(C(=O)[C@@H](O)CCl)[C@H]2c2cccnc2)CC1 1809665919 SRFWPGZWAABVHK-BJLQDIEVSA-N 451.955 -0.149 50 20 JBGD COc1ccc(OCC(=O)N2CCO[C@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)cc1 1830242583 MBMLVJBHEFKYMG-QHCPKHFHSA-N 478.546 -0.097 50 20 JBGD Cc1ccc(C(=O)NCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)cc1 1830738375 OPRMJQXTYKPWJO-DYESRHJHSA-N 453.923 -0.219 50 20 JBGD COc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)cn1 1831951807 VSRUITUXJQGRNT-QFIPXVFZSA-N 470.486 -0.528 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1)c1cnc(OCF)cn1 1833989185 HAMIQOAMGFNXMQ-UHFFFAOYSA-N 485.325 -0.039 50 20 JBGD CN(CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2)C(=O)c1ccccc1 1835927184 KLLTUGSPMJATFZ-VWLOTQADSA-N 495.341 -0.791 50 20 JBGD Cc1cccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)n1 1837457150 WWOQIGXXSCNVCW-QFIPXVFZSA-N 454.487 -0.228 50 20 JBGD Cc1nccn1[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837461582 YZQACVGUZKXQEX-OYHNWAKOSA-N 471.518 -0.479 50 20 JBGD O=C(O)c1cnncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1837949168 LWNMTNSTIOBAPX-LRDDRELGSA-N 461.244 -0.065 50 20 JBGD CN(CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCCO3)C2)C1)NC(=O)NCc1ccccc1 1839054281 QYNWCNQBRTTZCR-HYBUGGRVSA-N 489.573 -0.032 50 20 JBGD CC(=O)N/C(=C\c1ccco1)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1839389117 WLVRNDARUKBCMV-LDDXFTKCSA-N 455.895 -0.187 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(O)ccc1O)CCO2 1839449098 SKPMCSKUKYKQIC-OAQYLSRUSA-N 450.492 -0.459 50 20 JBGD O=C1CC[C@@H](C(=O)N2CSC[C@@H]2C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](F)Cl)C3)C2)N1 1839744374 JDBBSMJDPVJAHN-FAYLSGKYSA-N 492.957 -0.843 50 20 JBGD COC(=O)CCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)NC(=O)[C@@H]1CCCN1[C@@H](C)C(=O)CCl 38175114 RHGXHACEVXSAHV-XUXIUFHCSA-N 474.942 -0.747 50 20 JBGD COc1ccc(S(=O)(=O)NCC(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)cc1OC 768938639 PVEOMLHTAGDFRM-UHFFFAOYSA-N 475.483 -0.310 50 20 JBGD O=C(COC(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1)NNC(=O)[C@H]1COc2ccccc2O1 914817736 QCUVMXFXSLALPO-MRXNPFEDSA-N 495.466 -0.555 50 20 JBGD CC(=O)NCC(=O)NCC(=O)NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 921165617 QMSKYBFESGECMV-UHFFFAOYSA-N 461.500 -0.822 50 20 JBGD CN(CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H]1CCNC(=O)C1)CCO2)NC(=O)NCc1ccccc1 1780968971 RLBFICGFBAPCKT-YADARESESA-N 486.573 -0.311 50 20 JBGD CN(C)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1785756645 YPZFGRCKOQNENR-LRQRDZAKSA-N 452.320 -0.266 50 20 JBGD CC[S@@](=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21 1788490214 XSSUBHKLKYKNTO-VONVBCESSA-N 451.549 -0.563 50 20 JBGD COc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cnccc4C(=O)NN)[C@H]3C2)nn1C 1788610239 RTZHRWCKGPYBGE-NUTKFTJISA-N 457.491 -0.666 50 20 JBGD Cc1cc(C(=O)NCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cnccc4C(=O)NN)[C@H]3C2)no1 1788611324 UTOBDJDJHIEYKL-OWQGQXMQSA-N 485.501 -0.995 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1cc2cccnc2nc1O 1790363847 IAENLOSQQZMRBN-VDGAXYAQSA-N 476.298 -0.078 50 20 JBGD CN(CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCOCC1)C2)NC(=O)NCc1ccccc1 1799095062 SLKWPCQGFCBADL-JHDGKUDLSA-N 488.589 -0.746 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1ccc(N2C(=O)C=CC2=O)cc1 1801865727 JNBVCMYRLKHMOM-FEJSZKPUSA-N 489.293 -0.687 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H](CNC(=O)[C@H]2CCC(=O)N2)[C@H]1c1cccnc1 1806816602 RKGUOJMPKBKWDF-LSBZLQRGSA-N 451.487 -0.322 50 20 JBGD Cc1nnc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)s1 1833018275 RSUIAMFNCQAAMD-NRFANRHFSA-N 474.348 -0.771 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cn(C)cn1)CCO2 1834442809 HWOHDGBVYHYNLC-MNQDVBFDSA-N 457.491 -0.376 50 20 JBGD C[C@@H](Nc1ccccc1)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835930513 KYDKGGQVICJSSL-HOYKHHGWSA-N 467.331 -0.063 50 20 JBGD O=C(Cc1cc(F)ccc1F)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835933602 CZUNDVIVJQAAKT-QHCPKHFHSA-N 474.269 -0.043 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ccccn3)C2)C1 1837456587 KSSLCCOBZIVVOL-QHCPKHFHSA-N 468.514 -0.217 50 20 JBGD CN(CC(=O)N1CCC(OC2CCN(C(=O)[C@@H](N)CN)CC2)CC1)NC(=O)NCc1ccccc1 1838075553 NEIWTZDZKMZBSJ-NRFANRHFSA-N 489.621 -0.383 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)c1c(F)cncc1F)CCO2 1838164303 AIAKVHLLPCBUPL-NRFANRHFSA-N 461.230 -0.577 50 20 JBGD C[Si](C)(C)OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1nccnc1C(N)=O)CCO2 1838328539 PEJVRINVWXWVDG-LJQANCHMSA-N 451.556 -0.503 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)c1ccccc1-n1nccn1)CCO2 1839379503 BWZQPQRUUPJBTN-DEOSSOPVSA-N 491.313 -0.669 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccccc3O)CCO2)C1 1839908589 NYMOQMLUOJUEKD-QHCPKHFHSA-N 469.498 -0.297 50 20 JBGD CC[C@H](O)C(=O)N1CC2(CCCN2C(=O)[C@H](Cc2ccc(B(O)O)cc2)NC(=O)OC(C)(C)C)C1 1843428597 CLXGHDOOPOBTRJ-OALUTQOASA-N 489.378 -0.224 50 20 JBGD Cn1c(=O)c2c(ncn2CC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)[C@@](C)(Cl)CCl)n(C)c1=O 1848149572 BHEYVJMRSCVVJQ-ZKTNFTSUSA-N 471.345 -0.128 50 20 JBGD O=C(NNC(=O)c1cccc(S(=O)(=O)NCc2ccc3c(c2)OCO3)c1)C(=O)NC1CC1 10215761 AFLSHLLDUUHHDB-UHFFFAOYSA-N 460.468 -0.067 50 20 JBGD Cn1nc(C(=O)NNC(=O)CNS(=O)(=O)c2ccc3c(c2)COC3)c2ccccc2c1=O 726379850 SHTZLSAHXIWSKJ-UHFFFAOYSA-N 457.468 -0.297 50 20 JBGD CCn1cnc2c1c(=O)n(CC(=O)NNC(=O)Cc1cnn(C)c1)c(=O)n2Cc1ccccc1 751314070 AGKNZIVBRKPCTO-UHFFFAOYSA-N 464.486 -0.449 50 20 JBGD O=C1Nc2c(C(=O)NC[C@@]34CCCO[C@@H]3CCN(C(=O)c3cccc(B(O)O)c3)C4)cccc2C1=O 1779150094 CGFYHNZEGDTUEK-KBMIEXCESA-N 491.309 -0.058 50 20 JBGD Cc1nc(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cnccc3C(=O)NN)C2)no1 1779371092 CTZMNAHBAOWAGM-IIBYNOLFSA-N 457.491 -0.253 50 20 JBGD CCCC(=O)N[C@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2 1779517647 CKJYWHZUQJOWAM-ZDWFVDTJSA-N 459.352 -0.201 50 20 JBGD COc1ccc(CC(=O)N2CC[C@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)c([N+](=O)[O-])c1 1781412610 KZODLTNVRDUJSR-QHCPKHFHSA-N 483.286 -0.031 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N1CC[C@]2(CN(C(=O)[C@H](O)CCl)CCO2)C1 1785607577 QGQBIMFCTYKPLP-XEKQOVJPSA-N 462.931 -0.815 50 20 JBGD C[C@@H](CBr)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786978611 CYDPTLFTMGPFOY-CSFVBSKPSA-N 453.142 -0.009 50 20 JBGD C[C@@H](NC(=O)c1ccc(F)cc1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786981880 OBMICZCOYCVDKY-VPPRVIDZSA-N 497.332 -0.083 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CC[C@@H]4CCC(=O)N4C3)C[C@@H]21 1788609997 KXDQDCVRXYDWNF-HGDKKCICSA-N 484.557 -0.321 50 20 JBGD CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(B(O)O)cc2)C3)C1 1799980502 BCAWFBOUMUEVAG-IVDHNXQLSA-N 487.362 -0.154 50 20 JBGD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)n2)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807365168 WUQMAQXASDXGHW-HNAYVOBHSA-N 463.259 -0.404 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H](O)N2CCOCC2)n[nH]1 1819445706 CFDOSJNDFWKIIF-HRAATJIYSA-N 472.506 -0.635 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)COc1ccc(O)cc1)CCO2 1830349964 QFJXPUACPVKRFQ-QFIPXVFZSA-N 464.519 -0.400 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cnc4ccccn34)CCO2)C1 1830661783 ISQNHICLODMWGR-DEOSSOPVSA-N 493.524 -0.355 50 20 JBGD CN(CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1)C(=O)c1ccccc1 1831142629 BXPGFZVSQOAVBK-LAUBAEHRSA-N 453.923 -0.185 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3ccnc3)CCO2)C1 1834383706 FUDRCCKMYYOUIP-KCOUNZPASA-N 457.491 -0.527 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)c3cnc(O)nc3O)CC2)CC1)c1cccc(B(O)O)c1 1834799864 AMTIVOHTXRWUAR-UHFFFAOYSA-N 469.307 -0.933 50 20 JBGD CN1CCN(CCC(=O)N2CCO[C@]3(COCCN(C(=O)CCBr)C3)C2)CC1 1835401001 SJOPHMKQSWMCMT-IBGZPJMESA-N 461.401 -0.135 50 20 JBGD O=C(c1cc(=O)n2[nH]cnc2n1)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1835923811 GZODTNYGHQYJAX-BLLLJJGKSA-N 473.259 -0.822 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)c3cc(-c4ccccn4)[nH]n3)C2)C1 1835931658 WHOZQSDBBSGZQP-XMMPIXPASA-N 491.313 -0.465 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)c3cccc4nc[nH]c34)C2)C1 1835935310 AEWSDPHRWSAVDB-QHCPKHFHSA-N 464.287 -0.374 50 20 JBGD O=C(OCCO)c1ccccc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1838567651 HYVOSKNNEXKZBU-UWJYYQICSA-N 470.906 -0.495 50 20 JBGD O=C(O)c1cnncc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839200427 KNRVBMZZZDXBPQ-LRDDRELGSA-N 461.244 -0.065 50 20 JBGD O=C1Cc2cccc(C(=O)N3CCO[C@@]4(COCCN(C(=O)c5ccc(B(O)O)cc5)C4)C3)c2N1 1839573010 FOWOPNUYGJEPLQ-XMMPIXPASA-N 479.298 -0.755 50 20 JBGD CC[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cc(C)c(O)nc3=O)C2)C1 1839967456 MYPNBRBGIKELEL-IFXJQAMLSA-N 487.351 -0.113 50 20 JBGD CCc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)n(C)n1 1840185245 HPGHIPKRBBSZBK-OAQYLSRUSA-N 450.540 -0.575 50 20 JBGD Cn1cc(S(N)(=O)=O)cc1C(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 29122495 IDTHSUQMSMVZMW-UHFFFAOYSA-N 499.571 -0.913 50 20 JBGD CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)NNC(=O)CNC(=O)c2cccs2)cc1 725909207 GHEYSBBVHZFJDI-UHFFFAOYSA-N 467.529 -0.048 50 20 JBGD COC(=O)c1cc(S(=O)(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)ccc1Br 919960914 LKHDZGHQBOEWGH-QMMMGPOBSA-N 470.323 -0.085 50 20 JBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2)c1cn2ncccc2n1 1778663642 OFGRIOAVQXQHHY-AUSIDOKSSA-N 463.303 -0.150 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@]2(CCN(C(=O)CCS(C)(=O)=O)C2)C1 1784744928 ZNSFPPHPLAIDBQ-ORTNRGLGSA-N 453.521 -0.615 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=C\C(=O)NC3CC3)[C@H]2C1 1788495258 SBPXQFSSPAAZMR-ATODPCRGSA-N 456.503 -0.887 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nn[nH]c3C(F)(F)F)[C@H]2C1 1789360423 QDCFBKUVGJMYAY-SRVKXCTJSA-N 461.445 -0.210 50 20 JBGD O=C(NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807365643 WCIOZQYEDRPYIL-DENIHFKCSA-N 473.103 -0.925 50 20 JBGD N=C1NCCN1CC(=O)N1CC[C@@H](CNC(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1810303924 XFEJOIIKFPEBJC-KXBFYZLASA-N 465.518 -0.760 50 20 JBGD C[C@H](NC(=O)c1cnccn1)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815357141 ZVVWCWOLEMHARD-SWLSCSKDSA-N 494.342 -0.343 50 20 JBGD O=C(Nc1cc([C@H]2CCCCN2C(=O)Cn2ccncc2=O)[nH]n1)c1cccc(B(O)O)c1 1817477290 QNDTZAFRXRKXOY-QGZVFWFLSA-N 450.264 -0.348 50 20 JBGD CCS(=O)(=O)N[C@@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)c3cnccc3C(=O)NN)sc2C1 1819792948 FFAFIIXXXUBLHU-QWRGUYRKSA-N 495.587 -0.305 50 20 JBGD O=C(N[C@@H]1CCc2nc(NC(=O)c3cc(=O)nc4cccnn34)sc2C1)c1cccc(B(O)O)c1 1821265467 ZJQHZYFBNIKBIR-CQSZACIVSA-N 490.310 -0.235 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCC(=O)NC1)CCO2 1829952589 QQBBEIDJFYFSDH-RTHMJFCDSA-N 474.518 -0.897 50 20 JBGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CNC(=O)OC(C)(C)C)CCO2 1830573799 QBMRASCMZIQMGQ-BXTJHSDWSA-N 479.958 -0.418 50 20 JBGD O=C(CCc1ccc(F)nc1)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1832831803 SCAVVPSFTDDXFJ-QHCPKHFHSA-N 471.294 -0.397 50 20 JBGD COc1cnc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)c(F)c1 1835935263 LAEUQYJQOJSNMU-JOCHJYFZSA-N 473.266 -0.707 50 20 JBGD Cc1nc2ncccn2c1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835937360 SEDZZPOCLCJMKY-HSZRJFAPSA-N 479.302 -0.899 50 20 JBGD O=C(CCBr)N1CCOC[C@]2(C1)CN(C(=O)c1n[nH]c3c1CS(=O)(=O)C3)CCO2 1836258189 VJXMDDRAONBCGO-KRWDZBQOSA-N 491.364 -0.307 50 20 JBGD O=C1NCCn2nc(C(=O)N3CCC(OC4CCN(C(=O)[C@H](O)CCl)CC4)CC3)cc21 1836716765 PBIXQKKKMCKKET-QGZVFWFLSA-N 453.927 -0.162 50 20 JBGD Cc1ccc(C(=O)C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)cc1 1837461078 MZQFDIFDYAGYLC-DEOSSOPVSA-N 481.509 -0.054 50 20 JBGD C[C@@H](Nc1ccccn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1837741328 OBOUTZZCIINHCU-HXOBKFHXSA-N 468.319 -0.668 50 20 JBGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc4ncnn4c3)CCO2)C1 1839049834 YQJHSRNQNIYIHL-OXJNMPFZSA-N 451.911 -0.018 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4cn[nH]c4cn3)C2)C1 1840184212 DADYNMNPRVCGBV-NRFANRHFSA-N 459.507 -0.599 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn4ccsc4n3)C2)C1 1840184260 FZBSYSBCEFZYKN-FQEVSTJZSA-N 464.548 -0.161 50 20 JBGD NS(=O)(=O)c1ccc(F)c(C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c1F 728339370 LYJCCHRBCHZAMB-LBPRGKRZSA-N 471.394 -0.244 50 20 JBGD COc1ccc(CCN2C[C@H](C(=O)NNC(=O)[C@H]3CCS(=O)(=O)C3)CC2=O)cc1OC 728382570 YLAFCNNPKQDLPG-LSDHHAIUSA-N 453.517 -0.323 50 20 JBGD COC(=O)NC(C)(C)C(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 729167639 NPTIGVHCPIBYOY-UHFFFAOYSA-N 456.521 -0.078 50 20 JBGD COc1cc(C(C)=NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)ccc1S(C)(=O)=O 747047173 ROBMKKBGALVHRS-UHFFFAOYSA-N 455.518 -0.476 50 20 JBGD COc1ccc(C(=O)NNC(=O)COC(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)cc1OC 913374353 AWLMRZYHGXYFKE-UHFFFAOYSA-N 471.426 -0.733 50 20 JBGD CCS(=O)(=O)N(C)CCCNC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 916580021 AKCAXGCDPKYWTH-UHFFFAOYSA-N 477.613 -0.685 50 20 JBGD C[C@H](CBr)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(=O)n3[nH]nnc3n2)C1 1777820818 WYISQNBKTWPLFG-AEDCBLDQSA-N 482.339 -0.029 50 20 JBGD Cc1cn(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CCC(=O)NN(C)C)C2)c(=O)nc1O 1782214262 PJGRTRFAJVSDOY-OPAMFIHVSA-N 478.550 -0.856 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnc4c(c3)CCNCC4)C2)C1 1782729763 LOSXLGPBGDLSTF-XMMPIXPASA-N 479.541 -0.474 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CSCC(=O)O)[C@H]2C1 1791301442 NRUBKOLNNLAROT-DVBSWERSSA-N 465.532 -0.082 50 20 JBGD CC(=O)N[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2)C(C)(C)C 1793196953 KUJJFZWFMHICKS-LTCOOKNTSA-N 460.535 -0.561 50 20 JBGD CC1=NN(c2ccc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)c3ccc(B(O)O)cc3)cc2)C(=O)C1 1795735198 OOISTDODTWBGCY-BBIADKPPSA-N 490.325 -0.004 50 20 JBGD CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc(B(O)O)c2)C3)C1 1802414167 WHPJPANVCCCIHJ-YDLHNXBPSA-N 487.362 -0.010 50 20 JBGD N=C1NCCN1CC(=O)N1CC[C@H](CNC(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1810303922 XFEJOIIKFPEBJC-DNVCBOLYSA-N 465.518 -0.760 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CNC2=O)CC1 1824901894 VBOXDLISLZKSTK-SFHVURJKSA-N 456.308 -0.849 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(F)nc1F)CCO2 1829528347 LOBVKCLOWLBLOJ-NRFANRHFSA-N 461.230 -0.577 50 20 JBGD C[C@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)CN(C)C(=O)C(=O)O)C2)C1 1830543900 HECALVBMVBLXLA-PXAZEXFGSA-N 464.313 -0.983 50 20 JBGD CCn1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)n1 1834406733 KEOFXDYANPXFBD-OAQYLSRUSA-N 457.491 -0.715 50 20 JBGD Cc1ccc(OCC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)cc1 1835162366 KCEWKEJQKPVKQU-DEOSSOPVSA-N 468.315 -0.176 50 20 JBGD O=C(CCN1CCOCC1)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1835447993 IDTGDBYXXNBUSG-RDJZCZTQSA-N 452.321 -0.144 50 20 JBGD COc1ccc(OCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)cc1 1835926006 GZNXTEZSAWREPM-XMMPIXPASA-N 484.314 -0.476 50 20 JBGD O=C1Nc2ccccc2/C1=C/C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835930651 SALXQFAAGXNYNQ-RFAVJAEMSA-N 491.309 -0.528 50 20 JBGD Cc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)cc1[N+](=O)[O-] 1835931038 DOXFYFMCZOUNNY-XMMPIXPASA-N 497.313 -0.104 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc3ncncc3c1)CCO2 1837022776 HTXASZXGQXQSKP-DEOSSOPVSA-N 476.298 -0.307 50 20 JBGD O=C(NCC(=O)N1CCC(OC2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1)c1cccnc1 1837122862 YPPGENZOADULDF-UHFFFAOYSA-N 494.357 -0.196 50 20 JBGD COCCOCCOCCOCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](Cl)COC)C2)C1 1840082733 MHVLTNLVDHTTPZ-GHTZIAJQSA-N 496.985 -0.607 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCc3nc[nH]c3C1)CCO2 1840363339 TZIZINXAKVFQSH-WNSKOXEYSA-N 483.529 -0.717 50 20 JBGD COC(=O)c1ccc(OCC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)cc1 1840957768 SIIRTMAADLVHPX-UWJYYQICSA-N 470.906 -0.092 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)N1CC2(CCCN2C(=O)c2cnccc2C(=O)NN)C1 1844263504 LFZWRLMBXYQGGW-INIZCTEOSA-N 476.534 -0.222 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC2(CCCN2C(=O)c2ccc(-n3c(O)nnc3O)cc2)C1 1844740067 BCJIFETVLHQUIZ-UHFFFAOYSA-N 457.491 -0.132 50 20 JBGD COc1ccc(S(=O)(=O)N2CCC(C(=O)NNC(=O)C(=O)N3CCCC3)CC2)cc1OC 748246602 DPUIYHVHHTUNPC-UHFFFAOYSA-N 468.532 -0.126 50 20 JBGD Cc1csc(CC(=O)NNC(=O)COC(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)n1 762946123 IDZJSFWPLBKKLP-UHFFFAOYSA-N 471.495 -0.243 50 20 JBGD C[C@H](Nc1cnccn1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2 1779388916 GQQSQTKIPDBTMH-XKDCRVNJSA-N 467.335 -0.216 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CC(c4ccccc4)=NN3)C[C@@H]21)c1ccc(B(O)O)cc1 1786983067 HHLITMJZXZUGHZ-MHADKKCISA-N 476.342 -0.274 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C\C(=O)NC3CC3)C[C@@H]21 1788611062 IYUOVAWGZKRLCM-ATODPCRGSA-N 456.503 -0.887 50 20 JBGD Cn1c(=O)c2c(ncn2CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C(Cl)Cl)[C@H]3C2)n(C)c1=O 1791294239 OCVVBUXEWIBZIZ-SRVKXCTJSA-N 487.344 -0.783 50 20 JBGD CC(C)(C)OC(=O)N1CCO[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](O)CCl)C3)C1 1793082487 JQHLWUVSKMVPNE-QRJUGERDSA-N 461.943 -0.188 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1[nH]cnc1-c1cccnc1 1798491050 KNAHPQFULOBXES-IZZQQSIFSA-N 461.287 -0.332 50 20 JBGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1cn2c(nc1=O)SCC2 1799074311 JOYBQFVEAUFHMK-FQLMCAECSA-N 456.952 -0.265 50 20 JBGD CC[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(=O)n3[nH]nnc3n1)C2 1800638993 FTMDBBQCDPEEQH-WJZNIJOASA-N 454.285 -0.811 50 20 JBGD O=C(CCN1CCOCC1)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1806950424 HDIRTZJROPDSQF-REWPJTCUSA-N 466.347 -0.197 50 20 JBGD NNC(=O)c1ccncc1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@H]1CCNC(=O)C1)CC2 1819800879 TUKJUSAEFZEGSH-QWRGUYRKSA-N 457.516 -0.106 50 20 JBGD C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1831411598 ZZTXQACVUJTMKT-QFIPXVFZSA-N 461.519 -0.262 50 20 JBGD Cc1cc(NC(=O)CC(=O)N2CCC(N3CCC(NC(=O)c4ccc(B(O)O)cc4)CC3)CC2)no1 1834798499 CMKYZGHLZVOPFL-UHFFFAOYSA-N 497.361 -0.123 50 20 JBGD Cc1nccc(C(=O)N2CCC(N3CCC(NC(=O)c4cccc(B(O)O)c4)CC3)CC2)n1 1834800103 QMOIKXXQOWACIS-UHFFFAOYSA-N 451.336 -0.036 50 20 JBGD O=C(CCN1CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1835132333 UMDKMZGLHCVRDR-HSZRJFAPSA-N 459.352 -0.688 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)c3cccc4nc[nH]c34)C2)C1 1835935306 AEWSDPHRWSAVDB-HSZRJFAPSA-N 464.287 -0.374 50 20 JBGD CCn1nc(C)cc1C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835935798 RSPASIYSJHCTQG-QFIPXVFZSA-N 456.308 -0.725 50 20 JBGD C=C(Oc1ccccc1O)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835936893 IEQPSTQEEDUQHA-XMMPIXPASA-N 482.298 -0.265 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3nnc(C)o3)CCO2)C1 1836022332 CIVZZAXLVAABSY-VSIOZEBNSA-N 473.490 -0.489 50 20 JBGD CN1CCN(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@](C)(Cl)CCl)C3)C2)CC1 1836675976 PGHSBKONQRQLCM-RBUKOAKNSA-N 451.395 -0.074 50 20 JBGD C[C@@H](NNc1ccccc1)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837456346 KYUXZJPBVIDXJL-OSPHWJPCSA-N 497.556 -0.240 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3nnc4ccccc43)C2)C1 1837456524 NSFAARCUCVPBET-HSZRJFAPSA-N 494.512 -0.800 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4ncnn4c3)C2)C1 1837459649 VDVXYIUKSHCTKQ-JOCHJYFZSA-N 480.485 -0.888 50 20 JBGD O=C(CNC(=O)C(F)(F)F)N1CCC(OC2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1837921737 WDEAXDZCIOFLQR-UHFFFAOYSA-N 485.268 -0.343 50 20 JBGD CCn1nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)cc1C 1838152747 QSBHZRGBUBPLPY-OAQYLSRUSA-N 450.540 -0.346 50 20 JBGD CC(C)(C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1)c1ccccn1 1840328585 KVPDNYWSBGWNII-XMMPIXPASA-N 467.331 -0.191 50 20 JBGD Cc1nccn1[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1840490820 MXNKEYHUQOVFTC-KSFYIVLOSA-N 456.308 -0.797 50 20 JBGD CC(C)(C)OC(=O)N1CC(=O)C[C@H]1C(=O)N1CCCC12CN(C(=O)c1ccc(B(O)O)cc1)C2 1841433249 FZWCATCBWOOJQI-SFHVURJKSA-N 471.319 -0.238 50 20 JBGD CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2ccc(B(O)O)cc2)[C@H](O)C1 1847233597 BPLJFJGMWVXGOL-FUMNGEBKSA-N 487.362 -0.200 50 20 JBGD CN(CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN1C(=O)CNC1=O)NC(=O)NCc1ccccc1 1848034069 QSRJCRVFKMPTAF-IRXDYDNUSA-N 471.518 -0.914 50 20 JBGD NS(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)NNC(=O)CNC(=O)c2cccs2)c1 725741571 QGPOZMFJXYMJKK-UHFFFAOYSA-N 467.529 -0.577 50 20 JBGD O=C(NNc1ccc(S(=O)(=O)NC2CC2)cc1)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 726862164 FWPFSACIWRROSR-AWEZNQCLSA-N 469.545 -0.264 50 20 JBGD Cc1nn(C)c(C)c1CC(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779034863 VIKSRLNOESKAAF-QFIPXVFZSA-N 455.519 -0.278 50 20 JBGD CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1781339352 RYKFPYNQLRWBDH-MBSDFSHPSA-N 491.350 -0.914 50 20 JBGD C[C@@H](Nc1cnccn1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1788625763 DALPHLADMGTKMO-XIVBQZFQSA-N 453.308 -0.750 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3cn4c(nc3=O)SCC4)[C@H]2C1 1789710339 YQWJVJPTSFYNNR-XIRDDKMYSA-N 492.602 -0.756 50 20 JBGD CN(CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCOC1=O)NC(=O)NCc1ccccc1 1793165471 PYDDUKVJUZMXFC-RMFSNUHRSA-N 488.545 -0.626 50 20 JBGD N[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1cccc(Cl)c1 1795624458 BMMKGAFJTFKICE-JSJNYSNDSA-N 457.723 -0.077 50 20 JBGD Cc1nc2sccn2c1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795734701 WMSMELTYMQFTLQ-SCAQPMJSSA-N 454.317 -0.099 50 20 JBGD C[C@@H](NC(=O)c1ccccc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795736929 OQHHQERZMPTVEN-KBMWQNTOSA-N 465.315 -0.612 50 20 JBGD CN(CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncc[nH]1)C2)NC(=O)NCc1ccccc1 1799094730 HMQFOTDSQWMULL-IZZQQSIFSA-N 455.519 -0.041 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1ccc(O)c([N+](=O)[O-])c1 1799480174 QBUIJBRCJOAQTJ-CCWDJLKJSA-N 455.232 -0.503 50 20 JBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O)C2 1801012796 YAIDARGBOXOPGY-QRXRQMIZSA-N 497.593 -0.823 50 20 JBGD O=C(NC[C@@H]1CCN(C(=O)Cn2ccccc2=O)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807362287 FYWFQJRVQWAILS-WMZHIEFXSA-N 460.299 -0.057 50 20 JBGD O=C(CNC(=O)C(F)(F)F)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1813096258 AJZBJTQZJJXZGI-YJBOKZPZSA-N 478.236 -0.241 50 20 JBGD O=C(N[C@H]1CCc2nc(NC(=O)c3nc[nH]c3[N+](=O)[O-])sc2C1)c1ccc(B(O)O)cc1 1817200364 ZCZLANMYVQARMM-NSHDSACASA-N 456.249 -0.006 50 20 JBGD C[C@@H](NNc1ccccc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1829807104 IFWGTJDUPGUJIB-KOSHJBKYSA-N 482.346 -0.558 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(CN(C(=O)CSc3ccncc3)CCO2)C1 1832707753 KMCNFJKQIHHYHV-JOCHJYFZSA-N 486.554 -0.058 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCC(N2CCC(NC(=O)CNC(=O)N(C)C)CC2)CC1 1833145750 ZEJQPFOJRXADLU-UHFFFAOYSA-N 453.588 -0.798 50 20 JBGD Cc1ncccc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1834038956 SEEPIIUKQSWWOT-QFIPXVFZSA-N 454.487 -0.228 50 20 JBGD CN(CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccn(C)n1)CCO2)NC(=O)NCc1ccccc1 1834247497 CZSWGQLVDDUBJZ-XMMPIXPASA-N 499.572 -0.164 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(CN(C(=O)COc3ccc(F)cc3)CCO2)C1 1834963526 SGHBGUMKPPIYOG-QHCPKHFHSA-N 487.488 -0.027 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc4[nH]ncc34)C2)C1 1837457862 SUJZTGHUTNSFCJ-HSZRJFAPSA-N 479.497 -0.055 50 20 JBGD C[C@@H](Nc1ccccn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1837741160 IWWUXDONCAVIQA-HXOBKFHXSA-N 468.319 -0.668 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1c[nH]nc1C)CCO2 1838680303 QNNVSJJAZDGYHL-XAOCGEIJSA-N 457.491 -0.078 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CC(c3ccccc3)=NN1)CCO2 1839634860 BUTVPJFUZNBJFD-DHLKQENFSA-N 492.341 -0.797 50 20 JBGD CC(=O)N1CCN(CCOc2ccc(CCNC(=O)NNC(=O)C(=O)NC3CC3)cc2)CC1 728134356 KDHQETHAYIPOBZ-UHFFFAOYSA-N 460.535 -0.619 50 20 JBGD CN(C)N(C(=O)CCSCCC(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1344429428 IGXHKHQRQPMQJI-HZPDHXFCSA-N 498.693 -0.516 50 20 JBGD Cc1ccn2c(=O)c(C(=O)N3CC[C@]4(CN(C(=O)c5cccc(B(O)O)c5)CCO4)C3)cnc2c1 1777995279 KGARNDYFNPGFOA-XMMPIXPASA-N 476.298 -0.560 50 20 JBGD O=C1COc2ccc(C(=O)N3CC[C@]4(CN(C(=O)c5ccc(B(O)O)cc5)CCO4)C3)cc2N1 1778573049 DMSRFXHPEQFWFW-HSZRJFAPSA-N 465.271 -0.545 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)c3nn[nH]c3C(F)(F)F)C2)C1 1780360544 FNSMSFJHZZUJDX-QGZVFWFLSA-N 453.186 -0.739 50 20 JBGD C[C@@H](O)[C@H](NC(=O)c1ccccc1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21 1783844164 JEOQEQJFIZLHPF-PFFQMSPKSA-N 467.950 -0.255 50 20 JBGD CC(C)c1nc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)no1 1786980212 WDPBEYPSOADVCJ-SZMVWBNQSA-N 456.308 -0.291 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CC(c4ccccc4)=NN3)C[C@@H]21)c1cccc(B(O)O)c1 1786985017 KMXBTPMTYXLGBE-HMNCIZAVSA-N 476.342 -0.274 50 20 JBGD C[C@@H](Nc1ccccn1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1788779037 SFPLKSCSXWCRGR-LQJIQPLVSA-N 452.320 -0.145 50 20 JBGD CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](Cc1ccc(B(O)O)cc1)NC(=O)OC(C)(C)C)C2 1795331229 ACCVQHUCNJPLEF-HNJRGHQBSA-N 475.351 -0.588 50 20 JBGD CC(C)(C)OC(=O)N[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)C1CC1 1796360054 UZBNPJXRZFBCAO-HNJRGHQBSA-N 487.362 -0.127 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(OCCCO)cc1 1798543586 UVWADNXAGDMVNS-UPHUGPLXSA-N 483.525 -0.037 50 20 JBGD CC(C)(C)OC(=O)NCCOCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1799256536 OHDHXIFNTXCTPA-XEMDLRDOSA-N 491.350 -0.889 50 20 JBGD C=CC(=O)N[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807363180 YSJUNPBKZFYQJX-FYINFDKHSA-N 450.304 -0.228 50 20 JBGD O=C(NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807365651 WCIOZQYEDRPYIL-SIKLNZKXSA-N 473.103 -0.925 50 20 JBGD CN(C)C(=O)NCC(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807366974 WJMXJRDTEKTQGT-YLJYHZDGSA-N 453.308 -0.648 50 20 JBGD CS(=O)(=O)CC(=O)N1CC[C@@H](CNC(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1810300157 XFGYCMYFBPBUBF-KSSFIOAISA-N 460.516 -0.556 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)CN(C)C(=O)C(=O)O)[C@H]1c1cccnc1 1812394171 ZGRQJEGNSMYTFT-DNVCBOLYSA-N 462.507 -0.997 50 20 JBGD COC[C@@H](NC(C)=O)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1819607359 GAQLNBWDAABRKG-QZTJIDSGSA-N 457.296 -0.454 50 20 JBGD COC(=O)[C@H]1CC[C@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)CC1 1832008189 IXUXNMLDDDZXHD-QZTZHPFYSA-N 488.346 -0.584 50 20 JBGD CN(CC(=O)NC1CCN(C2CCN(C(=O)C#CC(=O)O)CC2)CC1)NC(=O)NCc1ccccc1 1836343842 JOBIAKYPHDPLEC-UHFFFAOYSA-N 498.584 -0.008 50 20 JBGD CCn1nccc1C(=O)N1CCOC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837456473 IMBFWUSVVNRNIB-NRFANRHFSA-N 457.491 -0.715 50 20 JBGD COc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)nc1 1837458759 AJIWAEBEVJMCLY-JOCHJYFZSA-N 470.486 -0.528 50 20 JBGD CCc1cnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)s1 1837720308 OBMNSFQOEYOVLO-OAQYLSRUSA-N 459.333 -0.231 50 20 JBGD C[C@@H](Oc1ccccc1)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1839218082 MBWVZIFVNWKSMA-HOYKHHGWSA-N 468.315 -0.096 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cnn(C)c3)C2)C1 1840183941 JDQUPOSFQGMHFZ-OAQYLSRUSA-N 450.540 -0.818 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CC(c4ccccc4)=NN3)C2)C1 1840185739 WLHLBRAGKRRNKD-RDPSFJRHSA-N 486.573 -0.418 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(CN(C(=O)CCCn3ccnc3)CCO2)C1 1840384740 KJNFKHCPZKPDCU-JOCHJYFZSA-N 471.518 -0.568 50 20 JBGD CN(CC(=O)N1CC2(CCCN2C(=O)c2cnccc2C(=O)NN)C1)NC(=O)NCc1ccccc1 1844264782 HMQJPVYNPSVNMX-UHFFFAOYSA-N 494.556 -0.152 50 20 JBGD C[C@H](C(=O)N1CC2(CCCN2C(=O)CN(C)NC(=O)NCc2ccccc2)C1)n1cnnn1 1845039475 SEMACJRITLOYIZ-MRXNPFEDSA-N 455.523 -0.216 50 20 JBGD Cn1c(=O)c2c(ncn2CCC(=O)NNc2ccc(S(=O)(=O)C(F)F)cc2)n(C)c1=O 728974296 LVTIQHXFFPYJTL-UHFFFAOYSA-N 456.431 -0.037 50 20 JBGD O=C(NNS(=O)(=O)c1cc2c(cc1Br)OCCO2)[C@@H]1CCS(=O)(=O)C1 747072827 PMGNSZQCFOKQSV-MRVPVSSYSA-N 455.308 -0.036 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)[C@H]3ON=C(c4ccccc4)O3)C2)C1 1778867104 ISWSRXDIASYVJX-DHIUTWEWSA-N 465.271 -0.455 50 20 JBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2)c1cc2cccnn2n1 1779992480 MMWISRJVXKBKRJ-NFBKMPQASA-N 463.303 -0.150 50 20 JBGD COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786983989 YMBZCBQGMREUIM-RQUKQETFSA-N 470.331 -0.285 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CNC(=O)O1 1793419635 IXIXPLWPMRSYIX-LZDSYCOUSA-N 462.415 -0.168 50 20 JBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnccc1C(=O)NN 1798440083 ALXJELWLGBVMBT-CLLJXQQHSA-N 452.475 -0.751 50 20 JBGD CCS(=O)(=O)CC(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1803515323 RDKIMLMRAUKIBT-YLJYHZDGSA-N 459.333 -0.484 50 20 JBGD O=C(CCN1CCOC1=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1809531621 YFMODLNSGTUXSH-WIYYLYMNSA-N 466.303 -0.077 50 20 JBGD CC(=O)OC[C@H](OC(C)=O)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1810335311 DTEGSNMSMOIBFK-ILWGZMRPSA-N 497.313 -0.424 50 20 JBGD CS(=O)(=O)CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cnccc1C(=O)NN)CC2 1814323906 ZRZFSIOKDDWNPZ-VIFPVBQESA-N 452.518 -0.588 50 20 JBGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)C[C@@H]1NC(=O)NC1=O)CC2 1826084010 XLBLZSFZUWLFJS-KOLCDFICSA-N 451.509 -0.974 50 20 JBGD Cc1cccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)n1 1832612390 SGLNGHRQBDPQRS-XMMPIXPASA-N 467.331 -0.227 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(Cl)nc1F)CCO2 1833264896 LKSSARZUFFMUQE-OAQYLSRUSA-N 477.685 -0.062 50 20 JBGD CN(CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnn(C)c1)CCO2)NC(=O)NCc1ccccc1 1834173814 ZVWCSAUTWUPWJS-DEOSSOPVSA-N 499.572 -0.164 50 20 JBGD C[C@@H](CS(C)(=O)=O)C(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834797816 JRTQMQOFJORLSP-INIZCTEOSA-N 479.408 -0.768 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4ccnn4c3)C2)C1 1837459557 KABUZJASMPTDQP-HSZRJFAPSA-N 479.497 -0.283 50 20 JBGD C[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837461511 WVVZIXPCEWDZPW-XIKOKIGWSA-N 470.324 -0.462 50 20 JBGD C[C@H](Nc1ccccn1)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1837741327 OBOUTZZCIINHCU-GAJHUEQPSA-N 468.319 -0.668 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(Cl)ncn3)CCO2)C1 1838257367 KUVQIUJXHWZCOO-FQEVSTJZSA-N 475.893 -0.488 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnc3snnc3c1)CCO2 1838513437 RCAGJKNVPXZRFJ-HXUWFJFHSA-N 477.547 -0.471 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1nn[nH]c1C(F)(F)F)CCO2 1838767565 LCPSMSAQDNWPHM-QGZVFWFLSA-N 477.444 -0.734 50 20 JBGD CO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CN(C)NC(=O)NCc3ccccc3)CCO2)C1 1839054279 QWWRVXLXSCBNDS-WZONZLPQSA-N 477.562 -0.176 50 20 JBGD N=C(N)NCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](Br)Cc1ccccc1)CCO2 1839802134 MTLOSYHQKGPBLF-JXFKEZNVSA-N 482.379 -0.068 50 20 JBGD O=C(NCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1)c1ccccc1 1840799231 PJFBYIZKEJZNCM-DYESRHJHSA-N 453.923 -0.137 50 20 JBGD Cc1noc(C)c1S(=O)(=O)N1CCCN(C(=O)NNC(=O)CNC(=O)c2ccco2)CC1 725871772 QPVUELIOVKYQBO-UHFFFAOYSA-N 468.492 -0.248 50 20 JBGD O=C1CN(S(=O)(=O)c2cccc(C(=O)NNC(=O)[C@H]3COc4ccccc4O3)c2)CCN1 906473671 UDPCWVGWFGXPAT-QGZVFWFLSA-N 460.468 -0.592 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)COc1ccc(O)nn1)C2 1779374131 BVFNHMHGGGOJQX-OPAMFIHVSA-N 485.501 -0.613 50 20 JBGD C[C@H](CBr)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCS(=O)(=O)CC3)[C@H]2C1 1785032411 DZDWLCNIVRBXFQ-UGUYLWEFSA-N 480.425 -0.273 50 20 JBGD COc1ncccc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21 1786009063 NOSMBPSEHNMVJW-KKXDTOCCSA-N 454.487 -0.004 50 20 JBGD CC(C)(C)n1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)nn1 1786981078 PLZMJTICMSTNIR-IEZWGBDMSA-N 455.324 -0.380 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnn(-c2cccnc2)c1 1794444980 BSRYRBJWHNBPSK-CWPLJXCYSA-N 476.497 -0.217 50 20 JBGD COc1ccc([C@@H](O)C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)cc1 1795737799 UWRXKLVSQRBWKT-HRQSHJORSA-N 454.288 -0.688 50 20 JBGD CC(C)(C)OC(=O)N1[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)C[C@H]2C[C@H]21 1795737806 VFDVHHOFDSNFAC-VRNFHHEUSA-N 499.373 -0.033 50 20 JBGD CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)c3cccc(B(O)O)c3)[C@@H]2C1 1795740501 CHIIQPKNPPQEQW-MHDMWBPOSA-N 499.373 -0.318 50 20 JBGD CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](O)CCl)C3)C1 1801051927 UGLCPHNPGWRNGD-YJVQVXSTSA-N 461.943 -0.452 50 20 JBGD CN1CCN(CC(=O)N2CC[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2c2cccnc2)CC1 1810303210 QSGJLDBZASMNEP-PGRDOPGGSA-N 480.573 -0.353 50 20 JBGD CC(=O)OC[C@H](OC(C)=O)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1819431526 WNEYGHLINFZUEU-MOPGFXCFSA-N 486.290 -0.110 50 20 JBGD O=C(N[C@@H]1CCc2nc(NC(=O)c3cc(=O)nc4cccnn34)sc2C1)c1ccc(B(O)O)cc1 1821264345 JHZQGDSXCMUEIB-CQSZACIVSA-N 490.310 -0.235 50 20 JBGD O=C(Cn1cnnn1)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@@H](O)CCl)C2)C1 1829013723 AEPQYCUVBYYLRH-UWJYYQICSA-N 491.936 -0.275 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCC(F)(F)C1)CCO2 1829651009 XGWRUFYUNOKIOK-JXFKEZNVSA-N 452.263 -0.128 50 20 JBGD Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)cnc1C 1833295469 HCMVUKNGWYOXTO-HSZRJFAPSA-N 453.304 -0.238 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)[C@H](O)CCl)CC2)CC1)c1cc(=O)n2[nH]cnc2n1 1834794145 VIOUBFMLSSZAIH-OAHLLOKOSA-N 451.915 -0.798 50 20 JBGD Cc1nccc(C(=O)NC2CCN(C3CCN(C(=O)c4ccc(B(O)O)cc4)CC3)CC2)n1 1835218462 SFCKRPYWJJEBIL-UHFFFAOYSA-N 451.336 -0.036 50 20 JBGD CC(C)N[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1)C(C)C 1835899674 VXPAZGCFVXHOBA-XXBNENTESA-N 476.578 -0.222 50 20 JBGD O=C(C[C@H]1CNc2ccccc2O1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835930255 FUDVSMYUERXKPE-NBGIEHNGSA-N 495.341 -0.300 50 20 JBGD O=C(CSc1ccncc1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835935643 WYKPADHKNWNSTM-JOCHJYFZSA-N 471.344 -0.376 50 20 JBGD O=C(/C=C/c1cccnc1)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835935658 XVDYRCVMXMUKFY-YQTDCCHMSA-N 451.288 -0.455 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)c3cc(C(F)F)no3)C2)C1 1835935704 MQSHOOFCWJIMEX-HXUWFJFHSA-N 465.218 -0.324 50 20 JBGD O=C1NCCCn2nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)CCBr)C4)C3)cc21 1836779154 BYQOGETUDGLGCE-LJQANCHMSA-N 484.351 -0.128 50 20 JBGD COc1ncc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)cc1F 1837456789 NIPKVNOGAHDNEF-JOCHJYFZSA-N 488.476 -0.388 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3[C@@H]4C=CS[C@@H]34)C2)C1 1837460115 VTRKHUVTFZMGJQ-CTRXZIQJSA-N 459.528 -0.370 50 20 JBGD COCCOCCOCCOCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](Cl)COC)C2)C1 1840082734 MHVLTNLVDHTTPZ-NQIIRXRSSA-N 496.985 -0.607 50 20 JBGD COc1cccnc1CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCC(=O)NN(C)C)CCO2 1840182505 KEXICFNRRDMRRT-QHCPKHFHSA-N 477.562 -0.148 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3noc4c3CCCC4)C2)C1 1840184015 NPCLZXKNNWMAHS-QFIPXVFZSA-N 463.535 -0.004 50 20 JBGD O=C1c2ccccc2C(=O)N1CCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc(B(O)O)cc1 1848086854 YCIUNDQMIWEIMJ-PMACEKPBSA-N 461.283 -0.132 50 20 JBGD O=C(CNC(=O)[C@@H]1c2ccccc2C(=O)N1C1CC1)NNC(=O)c1ccc(-n2cnnn2)cc1 109456546 XFERFLFJNODIDF-IBGZPJMESA-N 460.454 -0.101 50 20 JBGD O=C(NNS(=O)(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1)N[C@@H]1CCS(=O)(=O)C1 919960705 BXQGMKBEYRARMT-CYBMUJFWSA-N 480.590 -0.459 50 20 JBGD CN(CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](F)Br)C2)C(=O)C(=O)O 1781543710 XVPCDLOCUZOSAU-NSODJVPESA-N 452.277 -0.266 50 20 JBGD CC[C@@H](Br)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN(CCO)CCO)C2 1781905195 KEKNFJYAQVEOAO-GPMSIDNRSA-N 464.401 -0.040 50 20 JBGD CN(CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)C(=O)OC(C)(C)C 1795336303 LECDGZALUNGYBH-HGKCTWBKSA-N 461.324 -0.564 50 20 JBGD CCNC(=S)NCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C(C)=N/NC(=O)c1ccc[nH]1)C2 1800183087 PJFZYKJPNKOOLA-LVTGYEAHSA-N 463.564 -0.806 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)[C@@H](O)N2CCOCC2)[C@@H]1c1cccnc1 1810357445 GFIYXQSPDCTTSI-PIPMEXSNSA-N 462.551 -0.889 50 20 JBGD Cc1noc(C)c1CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1833064014 MBMCQDLSLYCEID-HSZRJFAPSA-N 471.319 -0.326 50 20 JBGD Cc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)cn1 1833130048 OACXUZJHCBVNGM-HSZRJFAPSA-N 453.304 -0.617 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1c(C)noc1N)CCO2 1835624959 KQGIQYUNXDIFBF-GQBLCDNYSA-N 473.490 -0.231 50 20 JBGD CC(C)Cc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)n(C)n1 1835928377 NCLNSUDZBAZSIS-DEOSSOPVSA-N 484.362 -0.318 50 20 JBGD Cc1cc(C(N)=O)cc(C)c1C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840185276 IKAVJXPRWIHXEP-XMMPIXPASA-N 489.573 -0.155 50 20 JBGD CSCC[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 728372593 OZBGWAOSFGNOAP-DGCLKSJQSA-N 467.566 -0.192 50 20 JBGD Cn1c(C=NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)nc2c1c(O)nc(=O)n2C 920357692 GEBREMSCUWQODE-UHFFFAOYSA-N 475.487 -0.843 50 20 JBGD CSCC[C@@H](C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1)N1C(=O)c2ccccc2C1=O 920746507 WCFJKOSYBJBLKH-RISCZKNCSA-N 454.530 -0.078 50 20 JBGD Cc1ccn2c(=O)c(C(=O)N3CC[C@@]4(CN(C(=O)CCC(=O)NN(C)C)CCO4)C3)cnc2c1 1777994925 CGMVZPSFRSOMLU-HSZRJFAPSA-N 470.530 -0.181 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)c3cn4cc(F)ccc4n3)C2)C1 1778540784 QDCMVDJBZDLYPF-QFIPXVFZSA-N 452.251 -0.090 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccccc1C(=O)OCCO)CCO2 1783935397 PYZBEGHAQKEVHS-HSZRJFAPSA-N 476.530 -0.348 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc(S(C)(=O)=O)cn1)CCO2 1783935743 CUMGHDMXSVICEA-HXUWFJFHSA-N 467.548 -0.698 50 20 JBGD CN(C)C(=O)c1cccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)c1 1786981837 BBYFJOAHIHWXQU-BVSLBCMMSA-N 479.342 -0.025 50 20 JBGD CN(CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C)COC1)NC(=O)NCc1ccccc1 1792620978 JVPOHFGZWYNEGV-OPVJXMOQSA-N 459.547 -0.041 50 20 JBGD C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN(C)NC(=O)NCc1ccccc1)C2 1793345983 WMHXOKYFVDAQKY-KMQSCTNJSA-N 471.558 -0.040 50 20 JBGD C=C(Oc1ccccc1O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795734489 QQDSZRVKTWYHIJ-UPHUGPLXSA-N 452.272 -0.132 50 20 JBGD CC1=NN(c2ccc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)c3cccc(B(O)O)c3)C4)cc2)C(=O)C1 1798979666 NBUBMUWQDRXTSL-BBIADKPPSA-N 490.325 -0.004 50 20 JBGD O=C(NC[C@@H]1CCN(C(=O)c2nc3ncccn3n2)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807375133 MSIKJSPCBGHBKS-PKOBYXMFSA-N 471.286 -0.168 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1CCN(C(=O)CN(CCO)CCO)[C@H]1c1cccnc1 1808417295 XFAAOSFEIVJRIJ-JUAHTANYSA-N 499.572 -0.492 50 20 JBGD CCNC(=S)NCC(=O)N1CC[C@H](CNC(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1 1813075211 XWFHRPBEVIGFMC-OXQOHEQNSA-N 463.608 -0.056 50 20 JBGD COC[C@@H](NC(C)=O)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CCC(=O)NN(C)C)CC2 1820197703 PPVCLPWHBYEVCJ-GXTWGEPZSA-N 454.553 -0.421 50 20 JBGD O=C1NCCn2nc(C(=O)N3CCCC[C@@H]3C3CCN(C(=O)c4ccc(B(O)O)cc4)CC3)cc21 1826196740 AVBAMJXRTODDJN-HXUWFJFHSA-N 479.346 -0.147 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCCC3)CCO2)C1 1829872322 PPHXRKBCWJQIFO-PCCDRTMGSA-N 460.535 -0.327 50 20 JBGD Cn1ncc(Br)c1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830728420 SZCSVINIUKZXHD-WBMJQRKESA-N 465.732 -0.148 50 20 JBGD Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)nc1 1834376768 BKJVZAYSKWFZIJ-QFIPXVFZSA-N 454.487 -0.228 50 20 JBGD Cc1noc(N)c1C(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834797820 AAXVTLNAJUTORP-UHFFFAOYSA-N 455.324 -0.256 50 20 JBGD CNc1nsnc1C(=O)N1CCC(N2CCC(NC(=O)c3cccc(B(O)O)c3)CC2)CC1 1834800564 MZZCLAFWPZUXNF-UHFFFAOYSA-N 472.380 -0.241 50 20 JBGD O=C(O)c1cnncc1C(=O)NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1835920071 CMTGFPQMTKLJPK-UHFFFAOYSA-N 481.318 -0.646 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)c3c[nH]c4ncccc34)C2)C1 1835928117 DVDKWOQPLSBJLP-HSZRJFAPSA-N 464.287 -0.374 50 20 JBGD CCc1[nH]nc(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)c1Cl 1835928744 XRBXFRCSRDLUFL-NRFANRHFSA-N 476.726 -0.311 50 20 JBGD O=C1Cc2cccc(C(=O)N3CCOC[C@@]4(CN(C(=O)c5ccc(B(O)O)cc5)CCO4)C3)c2N1 1835932074 MOGNVSYWAMIRNH-XMMPIXPASA-N 479.298 -0.755 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncc(Cl)cn3)C2)C1 1837456135 CSRFRADAIWSZQJ-FQEVSTJZSA-N 475.893 -0.488 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnc4c3OCO4)C2)C1 1837459994 QHVPPYWZOGBJMQ-QFIPXVFZSA-N 484.469 -0.807 50 20 JBGD COCCOCC(=O)N1CCC(OC2CCN(C(=O)c3cnccc3C(=O)NN)CC2)CC1 1837767422 GJSJXUUGFCEXHZ-UHFFFAOYSA-N 463.535 -0.040 50 20 JBGD N#Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)ccc1F 1839186282 KGWUCCCFNPGGJT-XMMPIXPASA-N 481.289 -0.310 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3nccn3)CCO2)C1 1839234923 SJIGZBOFOYJIIM-YWZLYKJASA-N 486.957 -0.133 50 20 JBGD Cn1nc2c(c1C(=O)N1CCO[C@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C1)CCC2 1839582366 BSZRAXGVXGBOFU-QHCPKHFHSA-N 483.529 -0.709 50 20 JBGD C[C@@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)CN(C)C(=O)C(=O)O)CCO2)C1 1839701427 YRNHVSIINNPBDJ-YVEFUNNKSA-N 464.313 -0.983 50 20 JBGD O=C(Cn1cnc2ccccc21)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1840101386 IBDFIDGODIJYBN-XMMPIXPASA-N 478.314 -0.514 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4cccnn4c3)C2)C1 1840184766 AKBADCFMADELAC-QFIPXVFZSA-N 458.519 -0.223 50 20 JBGD COc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)c1F 1840793425 VLOMCSYEPOABNA-QHCPKHFHSA-N 472.278 -0.102 50 20 JBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNS(=O)(=O)c2cccc(-n3cnnn3)c2)c1 743729229 CSRJTPIVHQRJJU-UHFFFAOYSA-N 451.490 -0.464 50 20 JBGD CCOc1ccccc1OCC(=O)NNC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 869751106 RBTSVSARLOEJOD-CYBMUJFWSA-N 452.489 -0.223 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)c3cnn4cccc(F)c34)C2)C1 1782552126 KLHKDRQSHIFXMA-QFIPXVFZSA-N 452.251 -0.090 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnc(OCF)cn3)[C@H]2C1 1785692854 SZCCOUDRVDWMIA-DZKIICNBSA-N 452.487 -0.251 50 20 JBGD Cn1cc(CCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cnccc4C(=O)NN)C[C@@H]32)cn1 1787012601 CPDHJGQVOBLAHZ-SNRMKQJTSA-N 455.519 -0.355 50 20 JBGD O=C(/C=C1\C(=O)Nc2ccccc21)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1788535177 RZKVTZLCISTQKC-DFFOJIANSA-N 475.310 -0.005 50 20 JBGD COCCOCCOCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21 1791134127 VFVMZMDBAPPYCD-VDGAXYAQSA-N 493.561 -0.652 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc3c1OCCO3)C2)c1ccc(B(O)O)cc1 1795734159 GQXARWYAYHARCY-CWPLJXCYSA-N 452.272 -0.345 50 20 JBGD COC(=O)c1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)c(C)c1 1795736875 MNTCAZJPOVAHHH-RMFSNUHRSA-N 466.299 -0.022 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)n1cnnn1)C2 1798523233 YWFXAIIRFGMEDM-GNTLTTKYSA-N 473.446 -0.029 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H](CNC(=O)[C@H]2CCC(=O)NC2)[C@H]1c1cccnc1 1802607946 DYOKQIGZIKBPMW-GQIGUUNPSA-N 465.514 -0.074 50 20 JBGD CN(C)C(=O)NCC(=O)N1CC[C@@H](CNC(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1810294669 LXGZAKVMKPPFIE-KXBFYZLASA-N 468.518 -0.329 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)CN(C)C(=O)C(=O)O)[C@H]1c1cccnc1 1813073593 KRUKKPZZWXVVJH-BEFAXECRSA-N 462.507 -0.997 50 20 JBGD O=C(/C=C/C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1)NCc1ccccc1 1830675621 OSXXKWGEGVYZDQ-VWOJUMNXSA-N 465.934 -0.085 50 20 JBGD COc1cccnc1CCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1832870340 FGSKKLZQWPRUKE-HSZRJFAPSA-N 477.562 -0.148 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnc(C)nc1)CCO2 1833811633 WQLUQDAOSRWNSU-WGLQLPMYSA-N 469.502 -0.011 50 20 JBGD Cc1nc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)cs1 1834455945 DAGQMLPJFLWTIT-FQEVSTJZSA-N 460.516 -0.166 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)c3cc4cccnc4nc3O)C2)C1 1835932033 LDTSBWGFYUKXDD-DEOSSOPVSA-N 492.297 -0.601 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)c3ccccc3)C2)C1 1835935696 MNSJDUQMYFPYBR-NZQKXSOJSA-N 454.288 -0.830 50 20 JBGD Cc1cc(/C=C/C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)no1 1835937891 ACBNXWYKZCXQEO-BDNZGDGKSA-N 455.276 -0.554 50 20 JBGD COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)cc1F 1835940155 XBSHURRTCGQYIC-XMMPIXPASA-N 486.305 -0.173 50 20 JBGD Cc1nn(C)cc1C(=O)N1CCOC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837456921 SOJOTBOKJOWCGQ-OAQYLSRUSA-N 457.491 -0.889 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)C(F)(F)C(F)F)C2)C1 1837456987 USDNZOAEMUEVGQ-QGZVFWFLSA-N 463.388 -0.345 50 20 JBGD CCC(=O)C(=O)N1CCOC[C@]2(CN(C(=O)CN(C)NC(=O)NCc3ccccc3)CCO2)C1 1839054111 HESYVMXKBMUWNG-QHCPKHFHSA-N 475.546 -0.232 50 20 JBGD CC[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3C(=O)CNC3=O)C2)C1 1839962631 LZVOGWNGTJZWOH-SJKOYZFVSA-N 461.313 -0.832 50 20 JBGD Cc1nc2ncccn2c1C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840184414 KSHCNTRJNZBQPH-QFIPXVFZSA-N 473.534 -0.519 50 20 JBGD Cc1ccc(C(=O)NCC(=O)N2CCOC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)cc1 1840187185 LJOBDBUIMAYAJB-XMMPIXPASA-N 489.573 -0.446 50 20 JBGD O=C(NNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)N1CCCC1 748240293 FBIDUSMLAQBZAR-HNNXBMFYSA-N 453.477 -0.092 50 20 JBGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)c1 788022766 HQYNSIQSBGTFMH-AWEZNQCLSA-N 474.561 -0.971 50 20 JBGD Cc1ccn2c(=O)c(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)c5ccc(B(O)O)cc5)[C@H]4C3)cnc2c1 1786979576 ADLOWCNRPKZSKR-YYWHXJBOSA-N 490.325 -0.410 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cccc([N+](=O)[O-])c1)C2)c1ccc(B(O)O)cc1 1795733071 ZYLVIQVWRATNGM-UPHUGPLXSA-N 453.260 -0.280 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1cccn(C(F)F)c1=O 1797992818 ANJUHVFJQZTURY-XOIINTDNSA-N 461.230 -0.560 50 20 JBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1cccc([N+](=O)[O-])c1=O)c1cccc(B(O)O)c1 1801356660 RGNDZUZFNVTVMO-BJWYYQGGSA-N 454.248 -0.612 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3n(n2)CCNC3=O)n[nH]1 1816624698 DVSUDEFAFPWKSW-MRXNPFEDSA-N 492.500 -0.032 50 20 JBGD O=C(N[C@@H]1CCc2nc(NC(=O)c3cnncc3C(=O)O)sc2C1)c1cccc(B(O)O)c1 1820493998 NQACYFGBKHEFGR-GFCCVEGCSA-N 467.272 -0.149 50 20 JBGD C[C@@H](C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cnccc1C(=O)NN)CC2)n1cnnn1 1826978836 RHSDOFVEFVOWSB-UWVGGRQHSA-N 456.492 -0.385 50 20 JBGD CS(=O)(=O)Cc1ncccc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1833564206 VCWAKBCNBGMCFL-LPHOPBHVSA-N 475.951 -0.704 50 20 JBGD CN1Cc2ccccc2C[C@@H]1C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835927226 MSWIYARWLVXPNQ-ZEQKJWHPSA-N 493.369 -0.507 50 20 JBGD COc1cncc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)c1 1837456398 HKQBAYJVPSGYOK-DEOSSOPVSA-N 498.540 -0.209 50 20 JBGD COc1nccc(C(=O)N2CCOC[C@]3(CN(C(=O)c4cnccc4C(=O)NN)CCO3)C2)c1F 1837457440 BKMMIPXGDJIJGP-JOCHJYFZSA-N 488.476 -0.388 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4nn[nH]c4c3)C2)C1 1837459950 PGRZTPLOBPSVEL-QFIPXVFZSA-N 480.485 -0.660 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)n1ccccc1=O)CCO2 1837687067 RBYWTIGGWGJNMD-BZRUEVBDSA-N 498.540 0.000 50 20 JBGD Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)c(C)n1C 1838381488 HTTCSJKJZISTKH-QHCPKHFHSA-N 455.320 -0.294 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc4cccnn4n3)CCO2)C1 1838425448 JYLGMTFEFNHPGN-QFIPXVFZSA-N 480.485 -0.888 50 20 JBGD CCOC(=O)c1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)ccn1 1838721648 MGTUWCJLXCWINY-DEOSSOPVSA-N 497.313 -0.678 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cncn3-c3ccncc3)C2)C1 1840183404 CGWQGBMZOKCYHR-HSZRJFAPSA-N 485.545 -0.290 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)c1ccccc1Cl)CCO2 1840317178 MQYACCYBVVAVKA-NFBKMPQASA-N 488.733 -0.177 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](Cc1ccc(B(O)O)cc1)C(=O)N1CC2(CCCN2C(=O)C#CC(=O)O)C1 1846195318 BKTJKYWOMHWKKJ-SFHVURJKSA-N 499.329 -0.906 50 20 JBGD Cc1cn2c(=O)c(C(=O)N3CCO[C@@]4(CCN(C(=O)c5cnccc5C(=O)NN)C4)C3)cnc2s1 1779032384 PVKCHUYFGOJFQV-JOCHJYFZSA-N 497.537 -0.180 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@]2(CN(C(=O)COCCO)CCO2)C1 1780098240 GUESAPCMHBYHHB-FQEVSTJZSA-N 451.432 -0.028 50 20 JBGD C[C@H](NC=O)C(=O)N1CC[C@]2(CN(C(=O)CN(C)NC(=O)NCc3ccccc3)CCO2)C1 1781247101 FPCNRSCKWAOWMB-JTSKRJEESA-N 460.535 -0.703 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cnnn3)[C@H]2C1 1787089475 YVNIKIJCTNIICH-AJNGGQMLSA-N 471.946 -0.215 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4n(n3)CCNC4=O)C[C@@H]21 1787508654 FWZUQQMJULLWON-WZXGEXOSSA-N 496.528 -0.646 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCn3ccnn3)[C@H]2C1 1791647247 FIITZABFUVQTQE-SMKMMKTPSA-N 456.507 -0.218 50 20 JBGD O=C(CCBr)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCS(=O)(=O)CC1)C2 1795111498 SRERXVXRVRXJJK-YWVIFJGQSA-N 452.371 -0.909 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2)c1nc2c(=O)[nH]c3ccccc3n2n1 1797102614 HPJUYTBHLJGYJG-JLUCKKNBSA-N 460.878 -0.626 50 20 JBGD C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN)N1CSCSC1 1797751550 FUSMFCZSALDRHD-VWPFQQQWSA-N 480.616 -0.069 50 20 JBGD O=C(NC[C@@H]1CCN(C(=O)c2cc(C(=O)O)ncn2)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807369447 KHJCWCCLTYNXRX-OXJNMPFZSA-N 475.270 -0.117 50 20 JBGD O=C(NC[C@@H]1CCN(C(=O)c2cnc(O)nc2O)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807374248 GFSAMSYBUQNVNV-MAUKXSAKSA-N 463.259 -0.404 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1CCN(C(=O)CN(C)C(=O)C(=O)O)[C@@H]1c1cccnc1 1808416353 NOXXAJBAMDSCKP-CPJWQURSSA-N 497.512 -0.236 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)c1cccnc1S)CCO2 1829794191 KTXLKUHSYYIGQE-NRFANRHFSA-N 457.317 -0.566 50 20 JBGD Cc1cc2nnc(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)[C@@H](O)CCl)CCO4)c(C)n2n1 1830728479 UBHJEELZPZCADI-LIRRHRJNSA-N 452.899 -0.589 50 20 JBGD C[C@H](Cc1ccncc1)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835939083 DXDMKFXAVALIRX-KOSHJBKYSA-N 467.331 -0.290 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)Cc1ccccc1)CCO2 1839957813 ICBHFORZWOMNDX-ZJSXRUAMSA-N 468.315 -0.960 50 20 JBGD CC[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCN3C(=O)C=CC3=O)C2)C1 1839962385 CKJYUZSQIFUPIE-AUUYWEPGSA-N 472.336 -0.069 50 20 JBGD CC(=O)N[C@H](Cc1cccc(F)c1)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1840856040 CHFQDVAANOXYKO-KNKQGSTJSA-N 485.940 -0.071 50 20 JBGD CC(=O)N[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)CN(C)NC(=O)NCc3ccccc3)C2)C1 1780968721 PGTOMJRLOXOYGX-HXOBKFHXSA-N 474.562 -0.313 50 20 JBGD CN1CCN(c2ccc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)c3cccc(B(O)O)c3)C4)cc2)CC1 1792456761 BHYNFHCTNYKVNQ-RUMRUAAYSA-N 492.385 -0.365 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1cc(C)n(C)n1 1793127524 ALFDAHDVNZMCTG-OYSOCFBGSA-N 455.519 -0.005 50 20 JBGD CN(C)C(=O)NCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](CCl)NC(=O)OC(C)(C)C 1793879877 QPICCKZZPMNDNT-FQLMCAECSA-N 475.974 -0.021 50 20 JBGD CC(=O)OC[C@H](OC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C(C)=N/NC(=O)c1ccc[nH]1 1796441992 MGSKUQBDDIXYMX-ATBQOEDZSA-N 491.501 -0.795 50 20 JBGD COc1cccc(OC)c1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1798826273 WWCBUAJSSXBRMT-VPTLXERWSA-N 454.288 -0.099 50 20 JBGD CCS(=O)(=O)CC(=O)NC[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1803518639 SAYUXUWDZLCGTE-OXJNMPFZSA-N 453.565 -0.105 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1CCN(C(=O)Cn2cnnn2)[C@H]1c1cccnc1 1808415473 WRVCQJVIEGROAT-TYNUBOESSA-N 464.490 -0.092 50 20 JBGD CN1CCN(CC(=O)NC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)[C@@H]2c2cccnc2)CC1 1809599808 MZYXOMNPYJFTBV-PGRDOPGGSA-N 480.573 -0.353 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1813075221 YGNNFTAHCQPTFD-HTAPYJJXSA-N 461.567 -0.167 50 20 JBGD Cc1nc(CC(=O)NC2CCN(C3CCN(C(=O)c4cccc(B(O)O)c4)CC3)CC2)no1 1833809929 ZNFRSDQOXOKREM-UHFFFAOYSA-N 455.324 -0.514 50 20 JBGD CC(=O)NCC(=O)N1CCC(N2CCC(NC(=O)/C(C)=N/NC(=O)c3ccc[nH]3)CC2)CC1 1835118293 ZGWXRECITIXDJT-CVKSISIWSA-N 459.551 -0.172 50 20 JBGD Nc1nc2cc(C(=O)N3CCO[C@@]4(COCCN(C(=O)c5ccc(B(O)O)cc5)C4)C3)ccc2s1 1835785800 OBPLFNWFAIZGAZ-HSZRJFAPSA-N 496.354 -0.058 50 20 JBGD O=C(c1ccc2nc[nH]c2c1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835930250 FKXUWNZREYTVST-QHCPKHFHSA-N 464.287 -0.374 50 20 JBGD O=C(c1ccc(-n2cccn2)cc1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835932282 XWNRYZPYOHGEEQ-RUZDIDTESA-N 490.325 -0.064 50 20 JBGD O=C(c1cnc2[nH]ncc2c1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835936830 FRECGQWIQKUTOV-JOCHJYFZSA-N 465.275 -0.979 50 20 JBGD CC(=O)N1CCN(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](F)Br)C3)C2)CC1 1836767201 FPTJLXIGEHMUBV-WMZOPIPTSA-N 479.347 -0.703 50 20 JBGD CC[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1)N(CC)CC 1837455717 FMDAHSCPWDOYKX-AUSIDOKSSA-N 476.578 -0.125 50 20 JBGD CCS(=O)(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](C)Br)CCO2)C1 1840030243 GJZAHKHBOJWGRF-XJKCOSOUSA-N 470.386 -0.446 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(c3)CNC4=O)C2)C1 1840184164 AZKUECKFIFQJAI-HSZRJFAPSA-N 473.530 -0.627 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3ON=C(c4ccccc4)O3)C2)C1 1840184447 NBOUUWVVZJKWOZ-PKTZIBPZSA-N 489.529 -0.450 50 20 JBGD COc1cc2c(cc1OC)[C@@H](CC(=O)NNS(=O)(=O)c1ccn(C)n1)N(S(C)(=O)=O)CC2 727351929 SFNNTXRXSQXUEA-CQSZACIVSA-N 487.560 -0.304 50 20 JBGD Cn1c(=O)nc(O)c2cc(C(=O)NNC(=O)c3cccc(S(=O)(=O)N4CCCC4)c3)cnc21 879297205 ILZLTDFPVWVWER-UHFFFAOYSA-N 472.483 -0.107 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)c3cc4cccnn4n3)CCO2)C1 1779032767 UWEFHQMAZPOASL-NRFANRHFSA-N 450.459 -0.515 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)[C@H](O)CCNC(=O)OC(C)(C)C)C2)C1 1781342787 NLSHOMLZRFFNHL-OPAMFIHVSA-N 485.582 -0.535 50 20 JBGD C[C@H](NC(=O)c1ccccn1)C(=O)N1CC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1782670440 JKCFQEUIPRXWHR-QMHKHESXSA-N 466.303 -0.977 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](O)CNC(=O)OC(C)(C)C)CCO2 1783933372 WEWMYAHLNCRZOG-VFNWGFHPSA-N 471.555 -0.925 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC[C@H](N)C(N)=O)C[C@@H]21 1785076524 PGMLHUNNVFESLJ-QXKUPLGCSA-N 490.001 -0.309 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccnc3C(N)=O)C[C@@H]21 1787506789 NGVRNNBXDKTAJF-ZEYHFOIASA-N 481.513 -0.092 50 20 JBGD CC(=O)Nc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)ccn1 1787772992 ZOGWTCFKPKNVHM-IHPCNDPISA-N 466.303 -0.373 50 20 JBGD Cc1nc[nH]c1CSCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1788536228 HEMCAVGHLBHLCT-QRFRQXIXSA-N 472.376 -0.075 50 20 JBGD CN1CCCn2nc(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)c5ccc(B(O)O)cc5)C[C@@H]43)cc2C1 1790523070 CCTHRGJXZLTXFR-XJABCFGWSA-N 481.362 -0.695 50 20 JBGD Cn1c(=O)c2c(ncn2CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CO[Si](C)(C)C)n(C)c1=O 1798625800 ZMYJBRAYSIGKHW-QDMKHBRRSA-N 476.610 -0.077 50 20 JBGD CC(C)(C)OC(=O)N[C@H]1C[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)C1 1802083630 AXNRMHQNFVXPFO-LHMCCDAXSA-N 487.362 -0.127 50 20 JBGD COC(=O)CSCC(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807360611 TULHOWDLTZKJPW-LAUBAEHRSA-N 471.344 -0.013 50 20 JBGD CC[C@H](NC(C)=O)C(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807360997 UQFGRTDETYQUOP-SESVDKBCSA-N 452.320 -0.004 50 20 JBGD O=C(NC[C@H]1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807362392 KKGKEMVXBKSWOP-UTKZUKDTSA-N 478.274 -0.114 50 20 JBGD O=C(COc1ccc(O)nn1)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1812351010 KVUGKRFGPZISFO-VGSWGCGISA-N 477.286 -0.344 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827050775 FZDVRBVCZJANBD-QFIPXVFZSA-N 464.136 -0.407 50 20 JBGD CC(C)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCS(=O)(=O)CC3)C2)C1 1830359029 UJVZVVUWSVMVKW-LJQANCHMSA-N 466.000 -0.562 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1)c1ccc[n+]([O-])c1 1833911187 GROYWUBASXXISE-UHFFFAOYSA-N 452.320 -0.501 50 20 JBGD CCNC(=O)N[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1835709908 WDLIMVGSTGOQQO-INIZCTEOSA-N 473.383 -0.741 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)c3cccnc3OCC3CC3)C2)C1 1835935050 DAQIYJOHYOUQSB-VWLOTQADSA-N 495.341 -0.066 50 20 JBGD COc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)c(O)c1 1835939335 MNWUSUIHSPEQGY-QHCPKHFHSA-N 470.287 -0.536 50 20 JBGD C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1)n1cccc1C=O 1835955473 UOSKQFDHJIGBIX-UZUQRXQVSA-N 469.303 -0.688 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CC[C@H](O)CC3)C2)C1 1837461572 YROCQWFDBHHWRH-XCGNWRKASA-N 461.519 -0.694 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCC(OC2CCN(C(=O)[C@@H]3CCNC(=O)C3)CC2)CC1 1838788973 DYSSNHNNRBCVDL-MRXNPFEDSA-N 451.568 -0.116 50 20 JBGD C[C@H](NC(=O)c1ccccc1)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840187337 UAQVTHQZCTUHGJ-MHECFPHRSA-N 489.573 -0.366 50 20 JBGD Cc1cnn([C@@H](C)C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)c1 1840403397 DTJRPEVVRCACGS-HTAPYJJXSA-N 456.308 -0.797 50 20 JBGD C[C@H](Oc1cccnc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1840452295 LKZMUEHMWJCUJE-SBUREZEXSA-N 469.303 -0.701 50 20 JBGD O=C(CCn1nnc2ccccc2c1=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 28195648 AWNHYEOZOIHDEO-UHFFFAOYSA-N 486.510 -0.336 50 20 JBGD CCc1nc2ccccc2n1CC(=O)NNC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 915775584 HYBJLVHOEQTMKZ-CYBMUJFWSA-N 460.516 -0.088 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@@]2(CCN(C(=O)CN3CCN(C)CC3)C2)C1 1778260456 HLVAWWXQQIIEGO-PCCDRTMGSA-N 459.551 -0.802 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)c3cc4ncccn4n3)CCO2)C1 1779032532 RPILTOOHMXFSCS-NRFANRHFSA-N 450.459 -0.515 50 20 JBGD Cc1ccc(=O)n(C(C)(C)C(=O)N2CCO[C@@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)n1 1783934565 JEELNZNARCZDAM-JOCHJYFZSA-N 462.551 -0.510 50 20 JBGD Cc1ccc(C(=O)NCC(=O)N2CC[C@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)cc1 1785564292 GJEICXLQPPFFIB-DEOSSOPVSA-N 480.525 -0.133 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(C(N)=O)cc3)C[C@@H]21 1788611441 XZCQSBVESOTQSL-SNRMKQJTSA-N 466.498 -0.309 50 20 JBGD CC[C@H](NC(C)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN(C)NC(=O)NCc1ccccc1)C2 1792535544 HMMDFMPUEWYYLG-IIZPIQPGSA-N 488.589 -0.163 50 20 JBGD CC(C)(C)OC(=O)NC(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1793628276 GRJHIHIWOCFGBI-ALXJQNPVSA-N 475.351 -0.127 50 20 JBGD CC(=O)Nc1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)n1 1794280282 HPEPTOMKAGHNRQ-HBCWATKFSA-N 467.486 -0.445 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(Cl)c3nncn3c1)C2)c1cccc(B(O)O)c1 1795738776 FTDIBPJOUUCLJI-JLVBRIDZSA-N 469.694 -0.421 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1ccnn1 1795890487 LMMBNKAUCUSLOJ-FQLMCAECSA-N 456.931 0.000 50 20 JBGD COCCn1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C(C)=N/NC(=O)c2ccc[nH]2)C3)n1 1796595824 MUGVHNYEXUMVLR-ZPHZMXASSA-N 471.518 -0.133 50 20 JBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3cccnc3nc1O)C2 1797753815 GGABRGZSXOPVAM-ZSBFGKGUSA-N 477.481 -0.149 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807361463 QCTPTABBNLBPPI-LAUBAEHRSA-N 488.313 -0.607 50 20 JBGD O=C(NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)[C@@H]1CCCS1(=O)=O 1812495670 BRNWNYSZBYTVNI-YSIASYRMSA-N 471.344 -0.342 50 20 JBGD Cc1noc(C)c1CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1833064931 AWKZAENVESJXCF-HSZRJFAPSA-N 486.529 -0.007 50 20 JBGD O=C(Cc1cncnc1)NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1833860832 PEJBUQRFSNBWBA-UHFFFAOYSA-N 451.336 -0.416 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1835100203 GKKFHZCHWOMYHM-DEOSSOPVSA-N 463.494 -0.193 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCCCC3)CCO2)C1 1835376925 MMLNVONTIWHBTJ-QFIPXVFZSA-N 460.535 -0.759 50 20 JBGD Cn1cc(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)c2cccnc21 1835930251 FLWIAXYXDKFRAX-DEOSSOPVSA-N 478.314 -0.363 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)c3ccc(Cl)nc3F)C2)C1 1835935647 XCFRHKLBDNFLAU-NRFANRHFSA-N 477.685 -0.062 50 20 JBGD O=C(c1cc(=O)n2[nH]nnc2n1)N1CCC(OC2CCN(C(=O)[C@H](O)CCl)CC2)CC1 1836718121 SHAAXXJLXVDSQJ-CQSZACIVSA-N 453.887 -0.976 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)O)C2)C1 1838528152 ICFMCWWOZMZSDW-XCLFUZPHSA-N 451.432 -0.029 50 20 JBGD CCOC(=O)c1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)ccn1 1838721782 SVFQIULOGQEOMZ-DEOSSOPVSA-N 497.313 -0.678 50 20 JBGD COc1cc2c(cc1OC)[C@H](CC(=O)NNS(=O)(=O)c1cnc(C)[nH]1)N(S(C)(=O)=O)CC2 727351467 KVTDGRYFPGZSJY-AWEZNQCLSA-N 487.560 -0.006 50 20 JBGD CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 729274861 FYSRPVUHBIZZNC-YPMHNXCESA-N 459.550 -0.631 50 20 JBGD NC(=O)c1ccc(S(=O)(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 784065616 RBEZRBGDKTZMIR-UHFFFAOYSA-N 496.567 -0.251 50 20 JBGD CC(C)n1nc(C(=O)N2CCO[C@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)cc1C(=O)O 1779028446 LSIYJHNEYVEXMQ-QFIPXVFZSA-N 485.501 -0.082 50 20 JBGD Cn1c(=O)c2c(CC(=O)N3CC[C@H]4CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]4C3)csc2n(C)c1=O 1784093266 UDNGGDDDTRIYSJ-MXAVVETBSA-N 498.989 -0.579 50 20 JBGD CN(CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)C(=O)c1ccccc1 1784347658 YTMCZCRQPMJPFD-BVSLBCMMSA-N 479.342 -0.268 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4ncccn4n3)C[C@@H]21 1788611216 OZWKWHUHUDLJEK-OWQGQXMQSA-N 464.486 -0.365 50 20 JBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](CCO)NC(=O)OC(C)(C)C 1793087384 CCLZUOBFSPMEBG-RCJHGTSTSA-N 485.582 -0.775 50 20 JBGD CC(C)OC(=O)c1ncccc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795737362 WCPRQKKRLJIRRF-XEMDLRDOSA-N 481.314 -0.156 50 20 JBGD CN(CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O)NC(=O)NCc1ccccc1 1800778472 BEPVFOFGGPPCTH-UPHUGPLXSA-N 457.487 -0.990 50 20 JBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc3c(c1)NC(=O)CS3)C2 1801013240 YIJXOTDMHCIGDT-HBCWATKFSA-N 476.559 -0.298 50 20 JBGD O=C(NC[C@H]1CCN(C(=O)c2cc(=O)n3[nH]cnc3n2)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807363878 PAUWCOYEFUWRTG-OXQOHEQNSA-N 487.285 -0.874 50 20 JBGD CN1CCN(CC(=O)NC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)CC1 1809599862 DGLPBUQGYBHRGJ-NZQKXSOJSA-N 465.363 -0.672 50 20 JBGD C[C@](O)(CC(=O)O)CC(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1813065706 PLDHESGKZLIMNH-AMHTUMDSSA-N 469.303 -0.303 50 20 JBGD O=C(CCN1C(=O)C=CC1=O)N[C@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815337289 QYHQDYFVPMWCHI-AWEZNQCLSA-N 468.300 -0.636 50 20 JBGD O=C(CCN1C(=O)C=CC1=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1815472189 RHWCEOMTBQHYNT-QGZVFWFLSA-N 465.275 -0.290 50 20 JBGD COc1ccccc1C(=O)N1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)C1 1830425222 DLFGVGBPNUIASY-FDDCHVKYSA-N 495.960 -0.177 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(N(C)C)cn1)CCO2 1833649374 NGDDDQKXYCUWDF-QFIPXVFZSA-N 462.551 -0.409 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3ncc(Cl)cn3)CCO2)C1 1833787665 SHEBRZBLMIBAEZ-FQEVSTJZSA-N 475.893 -0.488 50 20 JBGD C[C@](Cl)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)CNCP(=O)(O)O)CCO2)C1 1835540967 JXRZVRYXNFGFTL-LSDHHAIUSA-N 462.267 -0.596 50 20 JBGD C[Si](C)(C)OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(=O)n3[nH]cnc3n1)CCO2 1835924512 RXKBJYABQYGSFT-IBGZPJMESA-N 464.555 -0.661 50 20 JBGD COc1cccnc1CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835927824 XVIQUFKAIJPBJE-DEOSSOPVSA-N 483.330 -0.527 50 20 JBGD Cc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)nc1C 1835935343 PAILQJWBEFTSMD-HSZRJFAPSA-N 453.304 -0.238 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)c3cc(Cl)nc4n[nH]cc34)C2)C1 1835935518 IJRFKSQZIQQUHF-QFIPXVFZSA-N 499.720 -0.325 50 20 JBGD Nc1nc2cc(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)c3cccc(B(O)O)c3)CCO4)ccc2s1 1835935872 VKBQADRQBSTTFT-HSZRJFAPSA-N 496.354 -0.058 50 20 JBGD O=C(c1ccc2nc[nH]c2c1)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835937412 UVVKJUGCAATSJV-QHCPKHFHSA-N 464.287 -0.374 50 20 JBGD COc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)c(O)c1 1837459524 HPOIBRVTQGUIGS-QHCPKHFHSA-N 485.497 -0.217 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1837460286 ZNPHVLJKBBLUJH-SUMWQHHRSA-N 474.287 -0.554 50 20 JBGD COC[C@H](NC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)CCBr)C2)C1 1837729742 KSUQQEVSOUODKI-YOEHRIQHSA-N 450.330 -0.621 50 20 JBGD Cc1cc(C(=O)NCC(=O)N2CCC(OC3CCN(C(=O)c4cccc(B(O)O)c4)CC3)CC2)no1 1837921285 UTZBNAWSZWSNSM-UHFFFAOYSA-N 498.345 -0.295 50 20 JBGD CCc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)n(C)n1 1838046692 MKUIXEURNHEEFH-OAQYLSRUSA-N 450.540 -0.575 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)c1cc(Cl)c(O)cc1O)CCO2 1839252439 DZLNTIHDCHIBTO-QFIPXVFZSA-N 490.705 -0.185 50 20 JBGD CCOC(=O)c1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)cc1 1839444038 OVUHMJCMFSROMB-RUZDIDTESA-N 496.325 -0.073 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)/C=C3\C(=O)Nc4ccccc43)C2)C1 1840184533 SGYVCBXZAFASLC-KNGFOPAESA-N 485.541 -0.149 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccn4cncc4c3)C2)C1 1840184593 WMEVQPIKFDUNAJ-JOCHJYFZSA-N 458.519 -0.223 50 20 JBGD C[C@H](Oc1ccccn1)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1840425900 GYMFBTNPWBCJPA-QMHKHESXSA-N 484.513 -0.382 50 20 JBGD CNC(=O)COc1ccc(C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1OC 919738118 REZBWWHPBKFNIJ-GOSISDBHSA-N 473.438 -0.036 50 20 JBGD O=C(/C=C/C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2)NCc1ccco1 1779491962 LFAFXXVKBNXBKN-SMVGCFHUSA-N 495.341 -0.041 50 20 JBGD C[C@H](CBr)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(=O)n4[nH]nnc4n3)C[C@@H]21 1783965760 POTYJWWTIRKOEV-BLFANLJRSA-N 468.312 -0.563 50 20 JBGD CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)[C@@H](O)CCl)CCO2)C1 1785515150 JKJMAZVQFBQZOE-LRDNONRASA-N 477.942 -0.128 50 20 JBGD Cc1cc(NC(=O)CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)no1 1786979721 BPNWBZLIIXYDMO-SZMVWBNQSA-N 470.291 -0.715 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccccc3C(=O)OCCO)[C@H]2C1 1789249756 DOXGKEFNTKKQAR-VDGAXYAQSA-N 490.557 -0.198 50 20 JBGD CCS(=O)(=O)CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C(C)=N/NC(=O)c1ccc[nH]1 1796439601 PHTWLCVTZFMEHG-MADJGSHVSA-N 453.521 -0.855 50 20 JBGD Cc1cn2c(=O)c(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)c3cccc(B(O)O)c3)C4)cnc2s1 1797062665 BUEHEERYCOVCGC-JLVBRIDZSA-N 482.327 -0.739 50 20 JBGD CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](O)CCl)C3)C1 1797119414 FWXYTRCVZSYYCZ-IAFLNBNSSA-N 475.970 -0.206 50 20 JBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc3ncccn13)C2 1797750877 UADLDFDZHQRVPA-FVCICTRLSA-N 450.459 -0.755 50 20 JBGD CC[C@H](NC(N)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN(C)NC(=O)NCc1ccccc1 1799094962 MNDHOFSYDIAFKL-DMUMMCEESA-N 489.577 -0.631 50 20 JBGD C[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]c3c1CS(=O)(=O)C3)C2 1800756121 GJMYEFSXOTVVSU-XHSYRHOGSA-N 461.338 -0.175 50 20 JBGD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)n2)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807375134 MXDFSTBTRCJNLA-BEFAXECRSA-N 463.259 -0.404 50 20 JBGD COC[C@@H](NC(C)=O)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1 1817472145 KWANNTMBGVUSAM-QZTJIDSGSA-N 457.296 -0.454 50 20 JBGD O=C(N[C@@H]1CCc2nc(NC(=O)c3nc4ncccn4n3)sc2C1)c1cccc(B(O)O)c1 1818305843 VLAHHVQFXPRAIG-CYBMUJFWSA-N 463.288 -0.200 50 20 JBGD COC[C@@H](NC(C)=O)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cnccc1C(=O)NN)CC2 1820193476 XGADDYNBFOOQKA-XHDPSFHLSA-N 475.531 -0.482 50 20 JBGD Cn1c(=O)c2c(ncn2CC(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@H](O)CCl)CC2)n(C)c1=O 1825102809 SSHAVSGWKUVIKR-JKSUJKDBSA-N 494.980 -0.347 50 20 JBGD COC[C@@H](NC(C)=O)C(=O)N[C@H]1CCc2nc(NC(=O)CCC(=O)NN(C)C)sc2C1 1826087839 LSGBXRZCBIDKFW-GXTWGEPZSA-N 454.553 -0.421 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H](O)N2CCOCC2)CC1 1828968400 PZUOHUVNQPBDPD-KNQAVFIVSA-N 474.562 -0.431 50 20 JBGD COc1ccccc1C(=O)N1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)C1 1830425223 DLFGVGBPNUIASY-JPYJTQIMSA-N 495.960 -0.177 50 20 JBGD C[C@@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3C(=O)CNC3=O)CCO2)C1 1832320145 HFRYSAIYGSOUPK-YVEFUNNKSA-N 461.313 -0.974 50 20 JBGD Cc1noc(C)c1CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835927292 NEWBEGINIOZYDP-QHCPKHFHSA-N 471.319 -0.326 50 20 JBGD Cc1nc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)cs1 1835927635 VWFITGIFZLMHFV-NRFANRHFSA-N 459.333 -0.556 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)c3snnc3C3CC3)C2)C1 1835937415 VCEKODHSYGHCMB-NRFANRHFSA-N 472.332 -0.521 50 20 JBGD C[C@H](Nc1ccccn1)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835938227 RDOFLDKVRMCVEO-SBUREZEXSA-N 468.319 -0.668 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)c1c[nH]c3cnccc13)CCO2 1837175939 SSJDAOYUQICVBD-QHCPKHFHSA-N 464.287 -0.374 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4cnccc4[nH]3)C2)C1 1837459463 QPXCAPNTMNOPLA-HSZRJFAPSA-N 479.497 -0.055 50 20 JBGD C[C@@H](Nc1ccccn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1837746452 BFGMIOHRSOKNCC-VGOFRKELSA-N 462.551 -0.289 50 20 JBGD CCn1nc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)cc1C 1838152746 QSBHZRGBUBPLPY-NRFANRHFSA-N 450.540 -0.346 50 20 JBGD CC[C@@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)CN(C)NC(=O)NCc3ccccc3)CCO2)C1 1839054029 CIYVMLHWXMTKDZ-XXBNENTESA-N 477.562 -0.440 50 20 JBGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4c3CS(=O)(=O)C4)C2)C1 1840032337 VQFWZTLRIMKFJA-APPDUMDISA-N 491.364 -0.309 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(n3)OCCO4)C2)C1 1840183920 HYDGOIROWOCPBF-JOCHJYFZSA-N 477.518 -0.704 50 20 JBGD CCS(=O)(=O)N[C@H](C)C(=O)N1CCCC12CN(C(=O)/C(C)=N/NC(=O)c1ccc[nH]1)C2 1841581020 WMZVLBFTQRTBNE-CNRHGSOZSA-N 452.537 -0.348 50 20 JBGD Cc1csc(CC(=O)NNC(=O)COC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)n1 728723503 SPGNZZDHAOXYBX-UHFFFAOYSA-N 495.539 -0.881 50 20 JBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNS(=O)(=O)c2ccc(-n3cnnn3)cc2)cc1 747408237 ALISQBDOKRRGMY-UHFFFAOYSA-N 465.517 -0.399 50 20 JBGD COCCn1cnc2c1c(=O)n(CC(=O)NNC(=O)c1cnsn1)c(=O)n2Cc1ccccc1 918300695 RVONKJKJPKEHPK-UHFFFAOYSA-N 484.498 -0.633 50 20 JBGD Cn1cc(CCNC(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cn1 1115855061 VZMHBSBIRXFURL-UHFFFAOYSA-N 464.548 -0.053 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)c3cc4cn[nH]c4cn3)C2)C1 1778778590 NHXDZCKGGHLBJX-NRFANRHFSA-N 450.459 -0.286 50 20 JBGD Cc1c(C(=O)N2CC[C@]3(CN(C(=O)c4cnccc4C(=O)NN)CCO3)C2)cn2[nH]cnc(=O)c12 1780019696 MQHVMJRCZQPPOY-JOCHJYFZSA-N 480.485 -0.913 50 20 JBGD CN(CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](CCl)NC(=O)OC(C)(C)C)CCO2)C(=O)C(=O)O 1782744977 HZQAICCVJWHAGN-RNODOKPDSA-N 490.941 -0.509 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)C[C@@H]21)c1cccc(B(O)O)c1 1786984967 FAISVODSHHMTMT-GKCIPKSASA-N 469.259 -0.113 50 20 JBGD O=C(Cc1cccc([N+](=O)[O-])c1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1792420035 YRHFHDGAQYESGL-UPHUGPLXSA-N 453.260 -0.280 50 20 JBGD C[C@@H](CNC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1792985699 XOYKRSIUMVJNCQ-RMRDIRSESA-N 475.351 -0.270 50 20 JBGD COc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C(C)=N/NC(=O)c2ccc[nH]2)C3)n(C)n1 1794343423 QOOROWRHTOGSQP-GBQKICQVSA-N 457.491 -0.234 50 20 JBGD COC(=O)[C@@H]1CCC[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)C1 1795736755 ISUVBBJPRWHTDX-YFYQMDMQSA-N 458.320 -0.451 50 20 JBGD CS(=O)(=O)N1CCC(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cnccc2C(=O)NN)CC1 1798440570 QKPULNAPXFXKMI-MUJYYYPQSA-N 478.575 -0.392 50 20 JBGD C[C@@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1830538228 YZKNSUHNMVSPKS-IFXJQAMLSA-N 469.141 -0.533 50 20 JBGD O=C(c1ccc(N2C(=O)C=CC2=O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830737175 BSWOFOMXJHLGPW-VGOFRKELSA-N 477.901 -0.214 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)c3ccc4[nH]ccc4n3)C2)C1 1835930327 GSQPHYQCQMSUDN-HSZRJFAPSA-N 464.287 -0.374 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3COc4ccccc4O3)C2)C1 1835933850 DUPVEMGSJSARSR-URXFXBBRSA-N 482.298 -0.724 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)c3cc(Cl)cc4nn[nH]c34)C2)C1 1835938190 PCCPQESVCQWPSH-QFIPXVFZSA-N 499.720 -0.325 50 20 JBGD Cc1cnc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)cn1 1837457264 ZNLLBPBIUBWRTL-NRFANRHFSA-N 455.475 -0.833 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4ncccc4[nH]3)C2)C1 1837460091 UDMVSALGYQXVQO-HSZRJFAPSA-N 479.497 -0.055 50 20 JBGD NC(=O)c1nccnc1C(=O)N1CCC(OC2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1837921134 DCURKJJQVSJVFM-UHFFFAOYSA-N 481.318 -0.819 50 20 JBGD CC(=O)N/C(=C\c1ccco1)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1839389328 IMSGLWCRAPYLGM-NIQJEMAJSA-N 497.313 -0.793 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3c(F)cncc3F)C2)C1 1840185317 KFOYFXONMOLAPN-HXUWFJFHSA-N 455.462 -0.197 50 20 JBGD COc1ccc(F)cc1CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1840250251 NTTKDURIYWBQCF-XMMPIXPASA-N 486.305 -0.173 50 20 JBGD CS(=O)(=O)c1cncc(C(=O)N2CCCC23CN(C(=O)c2cnccc2C(=O)NN)C3)c1 1842189297 OKPUXWIXIIVCBC-UHFFFAOYSA-N 458.500 -0.386 50 20 JBGD Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2ccc(B(O)O)cc2)cc1 1847581229 FBHLTIPVYINJJA-NDXORKPFSA-N 485.371 -0.143 50 20 JBGD Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)CC1 9755911 XYBPEOIZNISYJQ-UHFFFAOYSA-N 499.575 -0.055 50 20 JBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)COc3ccc(S(N)(=O)=O)cc3)cc2)CC1 728213917 GYQOGQGPLAUZLW-UHFFFAOYSA-N 483.572 -0.208 50 20 JBGD COc1c(F)cc(CC(=O)OCC(=O)NNC(=O)Cc2nc(C)cs2)cc1S(N)(=O)=O 728725319 NOSAMLBSEUXGQU-UHFFFAOYSA-N 474.492 -0.278 50 20 JBGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 913210482 DVPCEWQWRHNWEY-UHFFFAOYSA-N 459.488 -0.691 50 20 JBGD COc1cc2c(cc1OC)[C@@H](CC(=O)NNC(=O)NCCNC(=O)C1CC1)N(S(C)(=O)=O)CC2 915906613 ZBWKKQHVEUNYAR-MRXNPFEDSA-N 497.574 -0.191 50 20 JBGD O=C(CS(=O)(=O)c1cccc(Br)c1)NNC(=O)N[C@H]1CCS(=O)(=O)C1 919887245 YKNSHSUCWWRACB-JTQLQIEISA-N 454.324 -0.260 50 20 JBGD O=C(CC(F)(F)C(=O)O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2 1778010827 LUZIUHHMASQQQU-DNVCBOLYSA-N 454.235 -0.396 50 20 JBGD O=C1CN(c2cccc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]4C3)n2)CCCN1 1784087041 WJFFFVXEKZWCDH-ONIAQPFYSA-N 479.965 -0.399 50 20 JBGD CCCNC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1 1788607898 UDCSEQKAGOOCBP-WBAXXEDZSA-N 460.535 -0.415 50 20 JBGD Nc1c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)sc2nccnc12 1795704353 VLZISNRWXMOPNK-YWVIFJGQSA-N 467.316 -0.530 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(OC(F)F)cn1)C2)c1ccc(B(O)O)cc1 1795732551 UHPZLNSRQUPGKF-ZSBFGKGUSA-N 461.230 -0.120 50 20 JBGD CC(C)Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)n(C)n1 1795734595 MEJCOVMPYAAOOK-UPHUGPLXSA-N 454.336 -0.185 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc3c(c1)CCO3)C2)c1ccc(B(O)O)cc1 1795736869 ORVIMENRRVJXDE-BBIADKPPSA-N 450.300 -0.253 50 20 JBGD CN(C)C(=O)c1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)c1 1797754170 MSTVUTHMFXGLGQ-XEMDLRDOSA-N 480.525 -0.096 50 20 JBGD CCNC(=S)NCC(=O)N1CC[C@@H](CNC(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1810304885 GVIKSWGKTZWOLQ-HNAYVOBHSA-N 484.586 -0.116 50 20 JBGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](O)N2CCOCC2)[nH]n1)c1cccc(B(O)O)c1 1817476451 SMBYBVHRDGTSLO-FXAWDEMLSA-N 457.296 -0.954 50 20 JBGD C[C@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCN3C(=O)C=CC3=O)C2)C1 1830535139 JVOPCTSWIDZEBX-AUUYWEPGSA-N 472.336 -0.211 50 20 JBGD C[C@@](Cl)(CCl)C(=O)N1CCOC[C@]2(CN(C(=O)CN3C(=O)CNC3=O)CCO2)C1 1832332725 VADAZTAGDKGHGN-SJORKVTESA-N 451.307 -0.769 50 20 JBGD CN1CCN(CCC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](F)Br)C3)C2)CC1 1835402904 SUCQSTHKLKVUBV-SJLPKXTDSA-N 465.364 -0.229 50 20 JBGD COC(=O)NCC(=O)N1CCC(N2CCC(NC(=O)c3cnccc3C(=O)NN)CC2)CC1 1835738292 STZGJCPCJASPAZ-UHFFFAOYSA-N 461.523 -0.774 50 20 JBGD C[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(=O)n4[nH]cnc4n3)CCO2)C1 1835926158 RAFUTPPNIXEMGH-GTNSWQLSSA-N 469.296 -0.729 50 20 JBGD Cc1cccc2c(C(=O)N3CCOC[C@]4(CN(C(=O)c5ccc(B(O)O)cc5)CCO4)C3)n[nH]c12 1835932208 UAONZAFERQCXIY-DEOSSOPVSA-N 478.314 -0.065 50 20 JBGD O=C(c1cnn(-c2cccnc2)c1)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835935017 BWEGUKFVJCVVEQ-DEOSSOPVSA-N 491.313 -0.669 50 20 JBGD Cc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)c1 1835939333 MMEODQBMRKUNKV-XMMPIXPASA-N 463.299 -0.070 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)c1cc3cccnc3[nH]1)CCO2 1837005454 DIQFQCPRHNBRMF-QHCPKHFHSA-N 464.287 -0.374 50 20 JBGD O=C1Nc2ccccc2/C1=C/C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1837322547 GSLXJGBUGBOBBX-JUKZXFSCSA-N 491.309 -0.528 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnoc3C3CC3)C2)C1 1837456391 HIQRHICJHQEERG-JOCHJYFZSA-N 470.486 -0.066 50 20 JBGD Cc1[nH]nc(C(=O)N2CCOC[C@]3(CN(C(=O)c4cnccc4C(=O)NN)CCO3)C2)c1F 1837457025 SUKYLNDQMKMKSC-FQEVSTJZSA-N 461.454 -0.760 50 20 JBGD CC[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1839964310 NLGIKQLLSMUGNS-LPHOPBHVSA-N 469.141 -0.390 50 20 JBGD O=C(CCc1cnc2[nH]ccc2c1)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1840080425 JRTWSXXZOMIEMP-VWLOTQADSA-N 492.341 -0.055 50 20 JBGD COc1cc2c(cc1OC)[C@H](CC(=O)NNC(=O)CCn1cncn1)N(S(C)(=O)=O)CC2 818038702 HOBXCHIFMRFQOD-HNNXBMFYSA-N 466.520 -0.218 50 20 JBGD C[C@]1(NNC(=O)NCc2ccccc2CS(=O)(=O)N2CCOCC2)CCS(=O)(=O)C1 916228824 ICEFHYAYYMGZGV-SFHVURJKSA-N 460.578 -0.270 50 20 JBGD COc1cc2c(cc1OC)[C@@H](CC(=O)NNC(=O)NCCCNC(C)=O)N(S(C)(=O)=O)CC2 916521978 SOVPHLPWOVHUNP-MRXNPFEDSA-N 485.563 -0.191 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(C(=O)O)ncn1)C2 1782209417 NVVHMOIHZCAJPV-IIBYNOLFSA-N 462.507 -0.325 50 20 JBGD COCCOCCOCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786986660 VZZGPFDKCIHSRQ-JBACZVJFSA-N 478.351 -0.971 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1COc2ccccc2O1 1793840580 ONBQALAMTWEOHF-RYMBOPBQSA-N 467.482 -0.272 50 20 JBGD CC(=O)N[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2)c1ccc(F)cc1 1799054302 XBBQHBQNVSHECU-GQSCTRQFSA-N 498.515 -0.095 50 20 JBGD C[C@H](NC(=O)c1ccccc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C 1801014449 SIKUUCDIIKTKQB-JWVYWZTKSA-N 459.547 -0.233 50 20 JBGD COC(=O)CSCC(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1803575640 OYLVOPZHZFIWPL-UWJYYQICSA-N 471.344 -0.013 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)CN(C)C(=O)C(=O)O)n[nH]1 1821716672 PZYVWRQNMSILNY-ZDUSSCGKSA-N 451.484 -0.682 50 20 JBGD COC[C@@H](Cl)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@@H](N)CN)C2)C1 1829341199 YGNBKMNOUWEYJR-FGSXEWAUSA-N 481.981 -0.022 50 20 JBGD CS(=O)(=O)CCC(=O)N1CCC(N2CCC(NC(=O)c3cnccc3C(=O)NN)CC2)CC1 1835737497 XVGKNUAWGLPGSZ-UHFFFAOYSA-N 480.591 -0.695 50 20 JBGD Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)n[nH]1 1837588322 KANRSHXYTZDCBY-OAQYLSRUSA-N 457.491 -0.971 50 20 JBGD COC[C@@H](NC(C)=O)C(=O)N1CCC(OC2CCN(C(=O)c3cnccc3C(=O)NN)CC2)CC1 1838394097 RJLSHXYSALOEST-HXUWFJFHSA-N 490.561 -0.552 50 20 JBGD C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1)c1ccc(O)cc1 1839168769 JFAYOGPBRZYCQH-BXKMTCNYSA-N 468.315 -0.054 50 20 JBGD Cc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)cc1[N+](=O)[O-] 1839189090 NUGUGXBUBIHXSL-XMMPIXPASA-N 497.313 -0.104 50 20 JBGD CCOC(=O)C1(C(=O)N2CCO[C@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)CC1 1839762359 IVDWBJVMQGDONV-FQEVSTJZSA-N 454.524 -0.841 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/C(=O)NCc3ccco3)C2)C1 1840185450 LZEQYGHAVWLMGF-NKOINVLESA-N 491.545 -0.719 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)COc1ccccc1C#N)CCO2 1840820143 AXHVUYVYRMQDSP-HSZRJFAPSA-N 473.530 -0.234 50 20 JBGD CSCC[C@H](NS(=O)(=O)c1ccccc1F)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 729277269 XQFZHZBBNNPPGN-PWSUYJOCSA-N 470.570 -0.689 50 20 JBGD CC(C)NC(=O)C(=O)N1CCN(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)CC1 807130303 ICYUXOLLJJORPP-UHFFFAOYSA-N 453.525 -0.997 50 20 JBGD COc1ccccc1OCC(=O)NNC(=O)Cn1c(=O)oc2cc(S(N)(=O)=O)ccc21 914880328 HLKMSZYCYOJJEZ-UHFFFAOYSA-N 450.429 -0.523 50 20 JBGD CS(=O)(=O)N1CCC[C@@H](NC(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)C1 920238816 LHSFIJKRHPWPAE-QGZVFWFLSA-N 452.581 -0.047 50 20 JBGD C[C@@H](NC(=O)c1ccccc1)C(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779035668 LDMAFZNHPSDLTF-GYCJOSAFSA-N 480.525 -0.053 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@]1(NC(=O)OC(C)(C)C)CCOC1)CCO2 1783935047 OXVQDKPUNFVSTJ-GOTSBHOMSA-N 497.593 -0.127 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1cnc(OCF)cn1 1785685054 DKYFBHXZCLCUIB-ZVZYQTTQSA-N 458.255 -0.631 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1cnc(C(F)(F)F)cn1 1796068243 XPTSNGBQGCGKGD-FVCICTRLSA-N 464.209 -0.308 50 20 JBGD COC(=O)[C@H]1CC=CC[C@@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797753955 FUDRZDPSRBHMKY-CMASPNFDSA-N 471.514 -0.356 50 20 JBGD O=C(CCN1C(=O)C=CC1=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1803916406 NOOJKZIXFXDRAZ-JPYJTQIMSA-N 476.298 -0.604 50 20 JBGD O=C(CCN1CCOCC1)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1806950317 FEPJYCCMLCXONG-REWPJTCUSA-N 466.347 -0.197 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H](CNC(=O)[C@@H]2CCCS2(=O)=O)[C@@H]1c1cccnc1 1812496727 LPWUKVHSCNMMEM-MNEFBYGVSA-N 486.554 -0.023 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)CCN2C(=O)C=CC2=O)[C@H]1c1cccnc1 1813068078 IHCGSUJYAYIKJV-HXOBKFHXSA-N 470.530 -0.225 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2nccnc2C(N)=O)n[nH]1 1820025839 CWXKBHGIDINUAI-ZDUSSCGKSA-N 457.495 -0.023 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(=O)n3[nH]cnc3n2)CC1 1827046600 WXPWHICEGFRFRF-GOSISDBHSA-N 493.528 -0.037 50 20 JBGD CN(C)c1cccc(OCC(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)c1 1832527196 MANJRQBLXQGUEA-VWLOTQADSA-N 497.357 -0.419 50 20 JBGD COc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)n1 1833767181 WESMIPRIDGAZHJ-JOCHJYFZSA-N 470.486 -0.528 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCC(N2CCC(NC(=O)c3cnccn3)CC2)CC1 1834123438 MWDXQNLZNJELBC-UHFFFAOYSA-N 452.519 -0.026 50 20 JBGD Cc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1835150322 VBHFZRUJSVOAJC-XMMPIXPASA-N 468.315 -0.176 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)c3cc(Cl)nc4n[nH]cc34)C2)C1 1835935517 IJRFKSQZIQQUHF-JOCHJYFZSA-N 499.720 -0.325 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)c3ccc(Cl)nn3)C2)C1 1835937900 APURJNZELAZSGD-FQEVSTJZSA-N 460.683 -0.806 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cn4cccnc4n3)CCO2)C1 1836890161 SDZKEEQHQDINLL-QFIPXVFZSA-N 480.485 -0.888 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cccc([N+](=O)[O-])c3)C2)C1 1837457149 YHSXYQLURQRWHF-QHCPKHFHSA-N 498.496 -0.094 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn4c(F)cccc4n3)C2)C1 1837459341 DCBDSRBFNJCMST-QHCPKHFHSA-N 497.487 -0.144 50 20 JBGD CNC(=S)NCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1837467112 XNOOKRMPVBQPCH-WFASDCNBSA-N 455.350 -0.383 50 20 JBGD C[Si](C)(C)OCC(=O)N1CCO[C@]2(COCCN(C(=O)CS(=O)(=O)N3CCCC3)C2)C1 1837711635 MFASMLWQKSPSGV-LJQANCHMSA-N 477.656 -0.280 50 20 JBGD Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)c(C)n1 1838359156 BBGAFNCPFBUPBW-QHCPKHFHSA-N 453.304 -0.238 50 20 JBGD O=C(CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1)Nc1ccc(F)cc1 1839029604 VGRFSMYZEZZLNT-DEOSSOPVSA-N 499.304 -0.396 50 20 JBGD Cc1ccc(OC(C)(C)C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)nc1 1839052747 IGQZXQACNHLCAQ-RUZDIDTESA-N 497.357 -0.003 50 20 JBGD Cc1ccc(C(=O)C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)cc1 1840099042 MKYIUJLIPAXZOG-DEOSSOPVSA-N 481.509 -0.054 50 20 JBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](Cc3cnc[nH]3)NC(C)=O)C2)C1 1840156034 MJEITBXXMLSMIF-QKLQHJQFSA-N 471.942 -0.833 50 20 JBGD O=C1CSc2ncc(C(=O)N3CC4(CCCN4C(=O)c4ccc(B(O)O)cc4)C3)cc2N1 1843012083 BSPWMPHZLQMOKC-UHFFFAOYSA-N 452.301 -0.064 50 20 JBGD COC(=O)N1CCC[C@H](NC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)C1 726717017 JYEDKFPFHRBUPV-HNNXBMFYSA-N 469.520 -0.118 50 20 JBGD O=C(CNC(=O)c1cccs1)NNC(=O)c1ccccc1S(=O)(=O)N1CCOCC1 751208513 FQGGWXOMQUCYFV-UHFFFAOYSA-N 452.514 -0.040 50 20 JBGD CC(=O)OC[C@H](OC(C)=O)C(=O)N1CC[C@]2(CN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)CCO2)C1 1779070159 IOMRSLWLPDEUOS-GBFVYLLASA-N 491.501 -0.555 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)/C=C/C(=O)NCc3ccco3)C2)C1 1779206814 GCLHZCPKVCSQJE-CRTIWDKESA-N 482.497 -0.406 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc(N3CCOCC3)cn1)CCO2 1783936281 LUBLMEIEEMXOBK-QHCPKHFHSA-N 474.562 -0.265 50 20 JBGD O=C1CSc2ncc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)c5ccc(B(O)O)cc5)[C@H]4C3)cc2N1 1786981902 OTKIEOSCTCDNSJ-FNHZYXHNSA-N 496.354 -0.287 50 20 JBGD C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795736990 QYRMMMUOUXIYLO-PIKOESSRSA-N 485.346 -0.514 50 20 JBGD C[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CS(=O)(=O)N1CCCC1)C2 1800758422 ZDXZSLWCRTUMEL-XPCVCDNBSA-N 452.371 -0.215 50 20 JBGD O=C1C[C@H](C(=O)NC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)CCN1 1813134407 ZRMYYGWZQXDMCI-PLMTUMEDSA-N 450.304 -0.393 50 20 JBGD Cc1nc2ncccn2c1C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835930752 YHWXHOHXOVCNQQ-HSZRJFAPSA-N 479.302 -0.899 50 20 JBGD O=C(c1cnnc(Cl)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835935030 CIDCUXLGJOAHMY-HXUWFJFHSA-N 460.683 -0.806 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cncn3)CCO2)C1 1836133377 AIDFYDLIWAZEKL-YWZLYKJASA-N 486.957 -0.133 50 20 JBGD O=C1Nc2c(cccc2C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)C1=O 1837135436 HPHKKNUPDMWPHX-JLTOFOAXSA-N 451.863 -0.509 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc[nH]c4nccc3-4)C2)C1 1837457513 HQFUATHDOSMEKY-QHCPKHFHSA-N 479.497 -0.103 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)CC34CCCN3CCC4)C2)C1 1837460066 RMLFVXZSWKPHPZ-XMMPIXPASA-N 486.573 -0.226 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1cnc(Cl)s1)CCO2 1838156178 GGXJWCYVBYCFDN-LJQANCHMSA-N 465.724 -0.140 50 20 JBGD CC[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)N3CCOCC3)C2)C1 1839964994 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1839484674 FZHWCTHRSFLBDP-HSZRJFAPSA-N 465.271 -0.109 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc4[nH]ncc4c3)C2)C1 1840184328 GYSBERIKZGUBFM-OAQYLSRUSA-N 459.507 -0.599 50 20 JBGD COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)cc1F 1840527106 XNQKBJVIOCOPPG-XMMPIXPASA-N 486.305 -0.173 50 20 JBGD COc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)ccc1F 1840682204 YZGQPQHGCIUCQL-HSZRJFAPSA-N 472.278 -0.102 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(CO)c(F)c1)CCO2 1840783251 ZAJVDXVMDFIXBM-HSZRJFAPSA-N 472.278 -0.618 50 20 JBGD O=C(CNS(=O)(=O)c1ccc(Br)cc1)NNC(=O)[C@H]1CCS(=O)(=O)C1 788024407 XLRIEEQGANQNJR-VIFPVBQESA-N 454.324 -0.691 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779030335 OCDDUOWFYRFMAO-QESWDSMOSA-N 482.501 -0.737 50 20 JBGD C[C@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2)N1C[C@H]2C[C@H]2C1 1779246546 IBZGSECVKOYKNQ-AOBCARNWSA-N 455.364 -0.166 50 20 JBGD 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CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CC(=O)N(Cc3ccccc3)C1)C2 1801010560 GRZROLODNIYCNU-MTXNFPGFSA-N 485.585 -0.002 50 20 JBGD NNC(=O)c1ccncc1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(=O)n3[nH]cnc3n1)CC2 1819795891 VEZJLXJVPDGTBW-SECBINFHSA-N 494.497 -0.588 50 20 JBGD NC(=O)c1nccnc1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1821036006 IIVZGHGCQZIHOG-LBPRGKRZSA-N 466.288 -0.749 50 20 JBGD C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1830304478 UOEFAAZRTJXCEI-KSFYIVLOSA-N 485.582 -0.271 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)c1ncc(Cl)cn1)CCO2 1833785983 RXQNTSGWVFIWDV-FQEVSTJZSA-N 460.683 -0.806 50 20 JBGD C[C@H](Cn1cncn1)C(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834798362 LZOQSSNTKNOWIT-QGZVFWFLSA-N 468.367 -0.521 50 20 JBGD Cc1nn(C)cc1C(=O)N1CCC(N2CCC(NC(=O)c3cccc(B(O)O)c3)CC2)CC1 1834800034 QNILFPDRNGNQHS-UHFFFAOYSA-N 453.352 -0.093 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)Cc3ccc4ncnn4c3)CC2)CC1)c1cccc(B(O)O)c1 1834801033 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C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCN1CCN(C)CC1 1795445039 SKGOPCQQXYYERK-JBUXMVGSSA-N 473.578 -0.653 50 20 JBGD CC(=O)N1CCN(CC(=O)NC[C@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)CC1 1809667852 GKNHEWLVMZBTDE-QPPBQGQZSA-N 493.373 -0.755 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1CCN(C(=O)[C@@H]2CCC(=O)N2)[C@@H]1c1cccnc1 1810299136 NPNYANORMGZTTD-UCLAIMLFSA-N 451.487 -0.322 50 20 JBGD CN(C)c1cncc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)c1 1833361062 GJAHCQBOYIAKCU-HSZRJFAPSA-N 468.319 -0.789 50 20 JBGD Cc1ncsc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1834269040 SXDTUNGUXZAQCU-HXUWFJFHSA-N 460.516 -0.166 50 20 JBGD CO[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1)c1ccccc1 1834922292 LZWGTPIEEGSDFF-QPPBQGQZSA-N 468.315 -0.176 50 20 JBGD CC[C@H](NC(N)=O)C(=O)N1CCC(N2CCC(NC(=O)c3cnccc3C(=O)NN)CC2)CC1 1835736846 JWDNLDNYGYTIIU-SFHVURJKSA-N 474.566 -0.683 50 20 JBGD COc1cccc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)n1 1835926973 AOBXBXROTSIMHP-XMMPIXPASA-N 483.330 -0.527 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)c3ccc4cccnc4n3)C2)C1 1835930621 QATZTFKPGLJTMM-XMMPIXPASA-N 476.298 -0.307 50 20 JBGD COc1cccc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)n1 1835935678 ZNDZORWITORPKM-XMMPIXPASA-N 483.330 -0.527 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)c3cc(Cl)c(O)cc3O)C2)C1 1835939646 WRAJRUIVHMUUTL-QFIPXVFZSA-N 490.705 -0.185 50 20 JBGD C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1)N1C[C@H]2C[C@H]2C1 1837459426 OTFBCRUTFGYPDL-QPHKYOTMSA-N 472.546 -0.905 50 20 JBGD N#Cc1ccccc1OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnccc1C(=O)NN)CCO2 1837460489 GSXAOCFXRGJFLO-XMMPIXPASA-N 494.508 -0.294 50 20 JBGD C=CCC(F)(F)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837460843 LFQSLMNXENGDPV-LJQANCHMSA-N 453.446 -0.034 50 20 JBGD O=C(COc1cc(Cl)ccn1)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1837652261 RGYAJYRIIZOVHN-QFIPXVFZSA-N 489.721 -0.436 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=O)OC(C)(C)C)C2)C1 1840185401 PQXQHRYWXNURBQ-OAQYLSRUSA-N 471.555 -0.660 50 20 JBGD COCCOCCOCCOCCC(=O)N1CC2(CCCN2C(=O)c2cnccc2C(=O)NN)C1 1844264758 DTWJFGUFFRKYHI-UHFFFAOYSA-N 493.561 -0.412 50 20 JBGD Cc1nc2n(n1)C[C@H](NC(=O)NNC(=O)c1cccc(S(=O)(=O)N3CCOCC3)c1)CC2 727229080 MAGUKZLZVPDRAI-OAHLLOKOSA-N 463.520 -0.434 50 20 JBGD CC(=O)N1CCc2cc(Br)c(S(=O)(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc21 728509292 BJMZFMBMLATFSD-MRVPVSSYSA-N 483.366 -0.395 50 20 JBGD COC(=O)NCCC(=O)NNC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1S(C)(=O)=O 730829703 HCQABQSKVWYXQT-AWEZNQCLSA-N 472.520 -0.154 50 20 JBGD CCn1cnc2c1c(=O)n(CC(=O)NNC(=O)Cn1cccn1)c(=O)n2Cc1ccccc1 842479552 TYSMFYSOERMIDU-UHFFFAOYSA-N 450.459 -0.528 50 20 JBGD O=C(COCC(=O)NNC(=O)c1ccc2c(c1)OCCO2)NNC(=O)c1ccc2c(c1)OCCO2 888764951 GOOABYWJDBBCNL-UHFFFAOYSA-N 486.437 -0.532 50 20 JBGD O=C1CN(S(=O)(=O)c2cccc(C(=O)NNC(=O)c3nn(-c4ccccc4)cc3O)c2)CCN1 907442051 SDIRFZHDKWPUGK-UHFFFAOYSA-N 484.494 -0.227 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(C1)CN(C(=O)c1cnc3ncccn13)CCO2 1779032324 NGAQLHQFRXHJHI-NRFANRHFSA-N 450.459 -0.515 50 20 JBGD Cn1c(=O)c2c(CC(=O)N3CC[C@@]4(C3)CN(C(=O)[C@@H](O)CCl)CCO4)csc2n(C)c1=O 1780922170 VXMVTOXSPRTKBV-RNODOKPDSA-N 484.962 -0.729 50 20 JBGD CCC[C@H](NC(C)=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2 1783185144 MNPLHDGFXKVOMJ-MIZPHKNDSA-N 459.352 -0.201 50 20 JBGD COC(=O)[C@@H]1CC[C@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)C1 1786978826 ZRXXIEQCLVAGPI-VYMYIBDJSA-N 458.320 -0.451 50 20 JBGD Cc1nc2ncccn2c1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1787981380 QJQMBIBVUZIWSP-WDSOQIARSA-N 463.303 -0.375 50 20 JBGD COc1ncccc1CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795732828 MBFNZZNSCFGQRC-RMFSNUHRSA-N 453.304 -0.394 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(-c3ccncc3)[nH]n1)C2)c1cccc(B(O)O)c1 1795740254 KPTVVFQYOIGVBT-UPHUGPLXSA-N 461.287 -0.332 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C/C(=O)NCc1ccco1 1797892544 ACUOSNXFEWGYSE-FPLQNCHWSA-N 482.497 -0.646 50 20 JBGD Nc1n[nH]c(CCC(=O)NC[C@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)n1 1810146452 DFLZFFMYIOUQNC-UZLBHIALSA-N 463.307 -0.586 50 20 JBGD O=C(CS(=O)(=O)N1CCCC1)N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815354543 HWEYLIKSPZWHNJ-HNNXBMFYSA-N 492.388 -0.526 50 20 JBGD O=C(CN1C(=O)C=CC1=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1822529368 DBBLSVCHIHDTPQ-MRXNPFEDSA-N 451.248 -0.680 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCC([C@@H]2CCCCN2C(=O)CNCP(=O)(O)O)CC1 1826803301 WXVGTRJLBNYBTC-SFHVURJKSA-N 467.268 -0.676 50 20 JBGD CCOC(=O)c1ncn2c1CC[C@H](C(=O)N1CCOC[C@@]3(CN(C(=O)[C@H](O)CCl)CCO3)C1)C2 1830736714 WBWURNPLYNQKCA-JIGPKXGUSA-N 498.964 -0.322 50 20 JBGD C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](O)CCl)CCO2)C1 1830739205 ZZPBCUSHNRRHDS-GCKMJXCFSA-N 473.954 -0.041 50 20 JBGD O=C(CCBr)N1CCO[C@@]2(COCCN(C(=O)c3nc4ncccn4n3)C2)C1 1834821246 DPBUDMNAMAHXSG-KRWDZBQOSA-N 453.297 -0.021 50 20 JBGD CCC(=O)N[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3cnccc3C(=O)NN)CC2)CC1 1835734678 PHXPPSSCJSKDMP-HNNXBMFYSA-N 473.578 -0.215 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)c3nc4ccccc4[nH]3)C2)C1 1835928084 DDGQVOORTFZZQI-HSZRJFAPSA-N 464.287 -0.374 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)c3cc4ncsc4[nH]3)C2)C1 1835930258 FUGSDEHMMHGWCU-OAQYLSRUSA-N 470.316 -0.312 50 20 JBGD C[C@@H](Nc1cccnc1)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835935784 QYWHKZUFOVZRPU-HXOBKFHXSA-N 468.319 -0.668 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)[C@@H]3Cc4ccccc4O3)C2)C1 1835937078 NSVJJMIDPSWEPB-XUZZJYLKSA-N 466.299 -0.560 50 20 JBGD Cc1cc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)nn1C 1837457000 VJJKVZSNLMOJNO-JOCHJYFZSA-N 471.518 -0.960 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccccc3)C2)C1 1837457902 VFWHNEHQFYEJMS-HSZRJFAPSA-N 453.499 -0.002 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4cccnc4[nH]3)C2)C1 1837459676 WDGWYYLBDSONSF-QHCPKHFHSA-N 479.497 -0.055 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(O)c(F)c3)C2)C1 1837459996 QJPLRDQDNJWOST-JOCHJYFZSA-N 473.461 -0.086 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1837460043 ZTBSRHDKYRETSK-IQCWKEAXSA-N 490.517 -0.716 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)Cc3ccccc3)C2)C1 1840185091 KSTXIKXWBBFDPI-XXBNENTESA-N 462.547 -0.581 50 20 JBGD CN1C(=C(C#N)C(=O)COC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)N(C)c2ccccc21 16209415 SEVPZXPFYZBVCM-UHFFFAOYSA-N 463.454 -0.133 50 20 JBGD Cc1csc(CC(=O)NNC(=O)COC(=O)c2ccc(S(=O)(=O)N(C)CCO)cc2)n1 728723045 XRESXRISEGINIY-UHFFFAOYSA-N 470.529 -0.389 50 20 JBGD O=C(NCCS(=O)(=O)N1CCSCC1)NNC(=O)c1nn(-c2ccccc2)cc1O 730583904 RASQQLXNJTYLER-UHFFFAOYSA-N 454.534 -0.100 50 20 JBGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 746385731 KTSQAEFPQMUAMQ-HNNXBMFYSA-N 466.564 -0.770 50 20 JBGD O=C1CN(S(=O)(=O)c2ccc(C(=O)OCC(=O)NNC(=O)c3cccs3)cc2)CCN1 914665662 ZFRZBKXEHWXUHI-UHFFFAOYSA-N 466.497 -0.513 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1CC[C@H]3CCC(=O)N3C1)CCO2 1779032581 NTGNWJBBKMMXLG-KXNSMUHISA-N 470.530 -0.470 50 20 JBGD CN(CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1c[nH]c(=O)cn1)CCO2)NC(=O)NCc1ccccc1 1780969010 RZEWTZFIRRVWIQ-HSZRJFAPSA-N 483.529 -0.440 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CC(c4ccccc4)=NN3)C2)C1 1782600198 CCTJJDCQVVCGRE-YKSBVNFPSA-N 477.525 -0.105 50 20 JBGD C[C@H](NC(=O)c1ccccn1)C(=O)N1CC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1782671077 UYKIFWOSXVELFV-QMHKHESXSA-N 466.303 -0.977 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc4c(n3)NC(=O)CC4)[C@H]2C1 1787268519 UJROILGDJWSMFL-FNHZYXHNSA-N 493.524 -0.128 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc4ncnn4c3)C[C@@H]21 1791291011 VXRUBLWVWQMSQM-BZSNNMDCSA-N 457.535 -0.376 50 20 JBGD CCS(=O)(=O)CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN(C)NC(=O)NCc1ccccc1)C2 1793319257 MSJWVTWIGXGWGI-RMFSNUHRSA-N 495.602 -0.643 50 20 JBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(N2CCOCC2)cn1 1794442257 YSSJNNMODORHLO-FAQVEIGNSA-N 474.562 -0.506 50 20 JBGD CC(=O)N[C@@H](Cc1cccc(F)c1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795736965 QEAJFPWQTIBICP-YDLSIGKMSA-N 497.332 -0.544 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cnnn1 1795859308 MAYGNGIXFGQWPS-IVWMJMPLSA-N 459.419 -0.590 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1ccncc1=O)C2 1798523224 XWRWAOYERHXVBM-USGNIVHTSA-N 485.453 -0.020 50 20 JBGD C[C@H](NC(=O)c1cnccn1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](F)Br 1799349821 LMWPCNALPUYLKN-ZCURGHERSA-N 458.288 -0.125 50 20 JBGD Cc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)nc2nccn12 1799988497 MNGOHPQHSUMYQT-ZSBFGKGUSA-N 464.486 -0.447 50 20 JBGD CN(CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN(C)C(=O)C(=O)O)NC(=O)NCc1ccccc1 1801330873 MNSZENUJZDVILS-BCDXTJNWSA-N 488.545 -0.486 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)c2cc(=O)n3[nH]cnc3n2)[C@H]1c1cccnc1 1807359398 UGNFVEBHZJQBCK-FOIQADDNSA-N 481.517 -0.495 50 20 JBGD O=C1CC[C@H](C(=O)N2CC[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)CN1 1807366075 SBGMTHUIEDPDAA-WFXMLNOXSA-N 450.304 -0.393 50 20 JBGD CN1N=C(C(=O)N2CC[C@H](CNC(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)CCC1=O 1807369955 ZLGNEFHOBVEUAT-UTKZUKDTSA-N 463.303 -0.311 50 20 JBGD O=C(/C=C\C(=O)N[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1)NC1CC1 1815344028 CSHOZICAAMGYEF-FJVVXJACSA-N 454.317 -0.117 50 20 JBGD O=C(COc1ccc(O)cc1)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1830342902 VCYRJSAHFHDLKN-QHCPKHFHSA-N 470.287 -0.779 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnc(C)[nH]1)CCO2 1831853500 UUOYCQHKRJQLMB-PFRKPPGBSA-N 457.491 -0.078 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCC(N2CCC(NC(=O)CN3CCCC3=O)CC2)CC1 1834626668 CYVUBYYHMMBBEC-UHFFFAOYSA-N 450.584 -0.447 50 20 JBGD O=C(CNc1ccc(F)cc1)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1835583939 IVEWOYHRCGFQCW-HSZRJFAPSA-N 471.294 -0.312 50 20 JBGD C[C@H](Nc1cccnc1)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1835689258 APLSJQUDWXGSGK-QMHKHESXSA-N 483.529 -0.349 50 20 JBGD CC(=O)O[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1)C(C)C 1837216324 ASEWQGIOTUCDTD-DENIHFKCSA-N 462.308 -0.976 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncc(Cl)cn3)C2)C1 1840183402 CGQUFMUWMQPNEL-IBGZPJMESA-N 454.915 -0.427 50 20 JBGD C[C@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)CN3C(=O)C=CC3=O)CCO2)C1 1840260784 AIOSPAJFHYFREG-ACJLOTCBSA-N 458.309 -0.601 50 20 JBGD CC[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cc(C)c(O)nc3=O)CCO2)C1 1840808091 JKFMQFNBQDABSC-AUUYWEPGSA-N 487.351 -0.113 50 20 JBGD CC(C)(C)OC(=O)N[C@H](CCN)C(=O)N1CCCC12CN(C(=O)c1ccc(B(O)O)cc1)C2 1842911571 YHSAHSBAGPAZQZ-QGZVFWFLSA-N 460.340 -0.575 50 20 JBGD O=C(NNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Br)c1cnn[nH]1 729456097 QRVNVGWAFKMQJS-UHFFFAOYSA-N 459.282 -0.337 50 20 JBGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)c1 921232429 FFTHDTKTFRTSJS-UHFFFAOYSA-N 481.556 -0.024 50 20 JBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2)c1nc[nH]c1[N+](=O)[O-] 1778059636 XRSXNVHUCYQVMQ-FOIQADDNSA-N 457.252 -0.561 50 20 JBGD Cc1nc2ncccn2c1C(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779032012 JWUHYZPOIPACFH-QFIPXVFZSA-N 464.486 -0.206 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C(=O)Nc2cccnc2)C1 1779489577 XYHCQMBNEPBUGK-VGOFRKELSA-N 460.535 -0.093 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1780097315 XDKBZOVKTXKZDJ-HSZRJFAPSA-N 497.269 -0.043 50 20 JBGD CN(CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc(O)ncn1)CCO2)NC(=O)NCc1ccccc1 1780970231 VJWBWSZVQMGVHC-QHCPKHFHSA-N 483.529 -0.028 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)[C@@H]3Cc4[nH]nc(C(F)(F)F)c4C3)C2)C1 1782846159 NDBFDPQKCHPGIF-LHSJRXKWSA-N 492.263 -0.033 50 20 JBGD CCS(=O)(=O)CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C[C@@H]21 1784449836 XAELTEZJZKSFOJ-YFRLFMDHSA-N 467.548 -0.465 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CC[C@H]2CO[C@@H](CNC(=O)C(F)(F)C(F)(F)C(=O)O)[C@H]2C1 1784915056 SZZPIXUMHXUDJU-UBHSHLNASA-N 476.188 -0.685 50 20 JBGD C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1)n1cccc1C=O 1786979716 BHBKZPGBBYZPOW-GWKIZSTFSA-N 453.304 -0.165 50 20 JBGD COc1cccnc1CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1794028984 QTIWCKLRDMFAAH-FAQVEIGNSA-N 453.304 -0.394 50 20 JBGD CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1 1796188010 TZWVLIJVLCFFSI-XMTFNYHQSA-N 461.324 -0.496 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CS(=O)(=O)N1CCCC1 1796437622 ZWCLVWIEISOLCT-GWGBFROSSA-N 494.574 -0.864 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)NC(=O)c1cnccn1)C2 1796441898 FFHLYCFQVNNYOC-WFCDTXINSA-N 496.528 -0.682 50 20 JBGD C[C@@H](NC=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN(C)NC(=O)NCc1ccccc1)C2 1799289702 XLRNLKZHIPRYEU-PHXBYCTMSA-N 460.535 -0.943 50 20 JBGD CN(CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](CCl)NC(=O)OC(C)(C)C)C2)C(=O)C(=O)O 1800259573 ZJSFURBZMKSHNA-XFMPKHEZSA-N 490.941 -0.749 50 20 JBGD CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1800784038 XKGFLOPGOATRIQ-PIKOESSRSA-N 487.362 -0.031 50 20 JBGD O=C(CCN1C(=O)C=CC1=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1803916404 NOOJKZIXFXDRAZ-FDDCHVKYSA-N 476.298 -0.604 50 20 JBGD O=C(NC[C@@H]1CCN(C(=O)COc2ccc(O)nn2)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807367125 QGDGULWIZYGOJI-JTSKRJEESA-N 477.286 -0.344 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H](CNC(=O)[C@@H]2C[C@H](O)CN2)[C@@H]1c1cccnc1 1807694681 DKQGDJNPOJGKBC-PDWMJMLSSA-N 453.503 -0.878 50 20 JBGD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)[C@H]1CCCS1(=O)=O)CC2)c1ccc(B(O)O)cc1 1815348126 DYXYLUPAOSUWDL-XJKSGUPXSA-N 463.346 -0.374 50 20 JBGD O=C(Cn1ccncc1=O)N[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815348904 ZTFATYLKXPGQFD-CQSZACIVSA-N 453.289 -0.694 50 20 JBGD C[C@@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCS(=O)(=O)CC3)CCO2)C1 1832483830 RUJUVMGSTHQQGP-YJBOKZPZSA-N 496.424 -0.796 50 20 JBGD CC[C@H](NC(C)=O)C(=O)NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1833094121 GAEOHUACYNUNBM-NRFANRHFSA-N 458.368 -0.534 50 20 JBGD CCNC(=O)N[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3cccc(B(O)O)c3)CC2)CC1 1834801166 OCCPFMHARNXYMU-MRXNPFEDSA-N 473.383 -0.741 50 20 JBGD Cc1cnn(CC(=O)NC2CCN(C3CCN(C(=O)c4cccc(B(O)O)c4)CC3)CC2)c1 1834892868 QRWPOQVVVBEEKJ-UHFFFAOYSA-N 453.352 -0.243 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3nc4ccccn4n3)CCO2)C1 1836394384 KBVGCIKLWPCYCG-QFIPXVFZSA-N 480.485 -0.888 50 20 JBGD C[C@H](NC(=O)c1cnccn1)C(=O)N1CCO[C@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1837610497 UBNPRBRLNZVEPR-KPZWWZAWSA-N 460.318 -0.145 50 20 JBGD COC[C@H](NC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)CBr)C2)C1 1837727446 KUHWEGOWYHSGLX-XUWXXGDYSA-N 464.357 -0.375 50 20 JBGD Cc1n[nH]c(C)c1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1837805143 GKHYCCBOUDXYMK-NRFANRHFSA-N 457.491 -0.591 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1ccc3ncnn3c1)CCO2 1839049547 JPLOCIBCCOVUHG-QFIPXVFZSA-N 473.534 -0.899 50 20 JBGD CC(C)(C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1)c1ccccn1 1840328996 XWNMDNFCRQFAOL-XMMPIXPASA-N 467.331 -0.191 50 20 JBGD CCN1CCC(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)CC1 1840929977 TVZCPENCLQRNFN-JOCHJYFZSA-N 453.584 -0.452 50 20 JBGD CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1CCCC12CN(C(=O)c1cnccc1C(=O)NN)C2 1845230560 NMRMJVCOGSBFAB-CQSZACIVSA-N 476.534 -0.222 50 20 JBGD CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)CNC(=O)c2cccs2)cc1 751210274 CGLGPUMNQOWCKD-UHFFFAOYSA-N 467.529 -0.096 50 20 JBGD Cn1cnc(S(=O)(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c1Cl 914562906 QRVMMCOLNPUQEQ-UHFFFAOYSA-N 463.925 -0.282 50 20 JBGD COc1ccc(C(=O)NNC(=O)COC(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)cc1OC 914978322 ATGCWFSARFUBOR-UHFFFAOYSA-N 497.482 -0.064 50 20 JBGD CC(=O)Nc1ccc(C(=O)N2CC[C@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)o1 1779026373 LGLHAUWVLJKFNE-NRFANRHFSA-N 456.459 -0.006 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@]2(CN(C(=O)CN(CCO)CCO)CCO2)C1 1780098055 ABXAUPRTKNBYNH-QFIPXVFZSA-N 494.501 -0.750 50 20 JBGD CC(=O)Nc1ccc(C(=O)N2CC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)cc1O 1782123852 FREKYLQBPRWJFW-HSZRJFAPSA-N 467.287 -0.212 50 20 JBGD CC(=O)Nc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)ccn1 1787772596 AATHWBWTLTZWCG-IHPCNDPISA-N 466.303 -0.373 50 20 JBGD C[C@@H](Cn1cncn1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21 1788726425 WVUFZRIQJPHDEP-USJZOSNVSA-N 456.507 -0.794 50 20 JBGD CNCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN(C)NC(=O)NCc1ccccc1 1799094774 KAAXEFQSSCZFES-HATOLVCRSA-N 460.579 -0.078 50 20 JBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cncc(S(C)(=O)=O)c1)C2 1801009583 OUSWLYKERAVZDG-CCWDJLKJSA-N 467.548 -0.939 50 20 JBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCNC(=O)OC(C)(C)C)C2 1801014427 PZGGAASSGZLPKR-CCWDJLKJSA-N 455.556 -0.136 50 20 JBGD C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2 1802128900 VJKPRBHUNLQDBM-CLWJZODNSA-N 479.578 -0.134 50 20 JBGD O=C(Cn1ccncc1=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1812342213 VOZTWRNUTQLWSW-XMSQKQJNSA-N 461.287 -0.662 50 20 JBGD NNC(=O)c1ccncc1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CN1CCOC1=O)CC2 1819793788 SQWIAINQCUNZFQ-SNVBAGLBSA-N 459.488 -0.180 50 20 JBGD O=C(COc1cccnn1)Nc1nc2c(s1)C[C@@H](NC(=O)c1cccc(B(O)O)c1)CC2 1826759665 LANQOVRDJLVGGG-AWEZNQCLSA-N 453.289 -0.082 50 20 JBGD COc1cncc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)c1 1832915243 QFQZXKUBODPDAP-DEOSSOPVSA-N 498.540 -0.209 50 20 JBGD O=C(CCBr)NC1CCN(C2CCN(C(=O)C[C@@H]3NC(=O)NC3=O)CC2)CC1 1834422496 QAFJKPLQHFSXQF-AWEZNQCLSA-N 458.357 -0.059 50 20 JBGD C[C@@H](CS(C)(=O)=O)C(=O)N1CCC(N2CCC(NC(=O)c3cccc(B(O)O)c3)CC2)CC1 1834800107 WGLFLHBSLBFNQW-INIZCTEOSA-N 479.408 -0.768 50 20 JBGD Cc1cccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)c1 1835039355 IQAVPJDFHJWODT-DEOSSOPVSA-N 452.316 -0.012 50 20 JBGD CCNC(=O)N[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1835709909 WDLIMVGSTGOQQO-MRXNPFEDSA-N 473.383 -0.741 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CC(c4ccccc4)=NO3)C2)C1 1835927316 NGNTYPWRJBJAFD-RDGATRHJSA-N 493.325 -0.370 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)C(F)(F)c3ccco3)C2)C1 1835932338 ZYSWKFQRSKAVJW-FQEVSTJZSA-N 464.230 -0.179 50 20 JBGD O=C(c1ccc(CO)c(F)c1)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835942165 ZRFKUFBLVNRVEA-QHCPKHFHSA-N 472.278 -0.618 50 20 JBGD O=C([C@H](O)CCl)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1ON=C(c3ccccc3)O1)CCO2 1837291553 JWGVNWKZBFZLOY-CDHQVMDDSA-N 453.879 -0.223 50 20 JBGD O=C(C[C@H]1CNc2ccccc2O1)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1837351643 UATLVUVDIQRMEK-CPJSRVTESA-N 495.341 -0.300 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C4CC4)on3)C2)C1 1837455637 BKBODXZXDDLXFZ-JOCHJYFZSA-N 470.486 -0.066 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ccc(F)nc3)C2)C1 1837456147 CXGFORPOEXZHMM-HSZRJFAPSA-N 486.504 -0.078 50 20 JBGD Cc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)ccn1 1837459746 XBJRQCBIQNJIAC-JOCHJYFZSA-N 454.487 -0.228 50 20 JBGD CCS(=O)(=O)N[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1 1837710358 XFHXLJVVBNRHCB-YJBOKZPZSA-N 465.645 -0.378 50 20 JBGD COc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C(C)=N/NC(=O)c4ccc[nH]4)C3)C2)nn1C 1838833669 IWACQFDSCGTUII-NMWDDECMSA-N 487.517 -0.367 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1nc3ccc(F)cn3n1)CCO2 1839625537 ZCVWIRIWYWBBBW-NRFANRHFSA-N 477.497 -0.689 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1nc3ccc(F)cn3n1)CCO2 1839625538 ZCVWIRIWYWBBBW-OAQYLSRUSA-N 477.497 -0.689 50 20 JBGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)n3nc(C)ccc3=O)C2)C1 1840153495 PUBZQIVIPQGFIF-IIBYNOLFSA-N 470.954 -0.003 50 20 JBGD Cc1cnn([C@H](C)C(=O)N2CCOC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)c1 1840184751 FDKPYLPQVUWVKG-UTKZUKDTSA-N 450.540 -0.418 50 20 JBGD CCC[C@H](NC(C)=O)C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840186634 BSANNZMVWBLSMM-UWJYYQICSA-N 455.556 -0.879 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC12CN(C(=O)C1CCN(S(C)(=O)=O)CC1)C2 1843415946 GVTCOSNLOPOEOK-HZHRSRAPSA-N 478.575 -0.005 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)c1cccc(N3CCCNC(=O)C3)n1)C2 1844263756 QYCABQIZZCOBFW-UHFFFAOYSA-N 492.540 -0.463 50 20 JBGD O=C(NNC(=O)c1c(F)ccc(S(=O)(=O)NC2CC2)c1F)N[C@H]1CCS(=O)(=O)C1 729841502 ZJWKVUMNHLXHEI-VIFPVBQESA-N 452.461 -0.463 50 20 JBGD CS(=O)(=O)CC[C@H](NS(=O)(=O)/C=C\c1ccccc1)C(=O)NNC(=O)N1CCOCC1 745995990 GUHQWGDCMVBATE-VFXTVZEFSA-N 474.561 -0.547 50 20 JBGD COCCN1C(=O)/C(=C/NNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)C(=O)NC1=S 920976524 WQMLYBFVVLWZBW-DTQAZKPQSA-N 495.583 -0.131 50 20 JBGD CN(CC(=O)NNC(=O)c1ccc(CSc2nncn2C)cc1)[C@H]1CCS(=O)(=O)C1 1248595996 VUSNIJDBZVIUKX-HNNXBMFYSA-N 452.562 -0.013 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3ON=C(c4ccccc4)O3)C2)C1 1778874686 MUGZZMUUVWERRR-YADHBBJMSA-N 459.503 -0.076 50 20 JBGD CC(=O)OC[C@H](OC(C)=O)C(=O)N1CC[C@@]2(CN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)CCO2)C1 1779070166 IOMRSLWLPDEUOS-SEVHUYGTSA-N 491.501 -0.555 50 20 JBGD CCS(=O)(=O)N[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCC(=O)NN(C)C)C1 1782210449 UCABEYZOZJSAAV-RZQQEMMASA-N 475.612 -0.799 50 20 JBGD C[C@H](Nc1cnccn1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786979650 HPUXMGOUZXLRFI-CBVHJVASSA-N 453.308 -0.750 50 20 JBGD C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1)[C@@H]1SC(=N)NC1=O 1791290906 DKKZFOMPYPBXGO-DEEHTKSCSA-N 468.580 -0.858 50 20 JBGD CCS(=O)(=O)N[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)CBr)C2 1793309840 LAMFYALWANPSTC-YHQUGGNUSA-N 454.387 -0.065 50 20 JBGD CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](Cc1ccc(B(O)O)cc1)NC(=O)OC(C)(C)C 1796459548 XLUSHGHZWNZBJN-NZGUISNBSA-N 489.378 -0.198 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1ncn(-c2ccccc2)n1 1796539871 QHSLDTLOAHRMJZ-XEMDLRDOSA-N 461.287 -0.536 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN1CCS(=O)(=O)CC1)C2 1796890694 FNTIEKUUIMCAQF-MOINTJSASA-N 478.575 -0.511 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(Cl)c2nncn2c1 1797691322 DSZBPPGYTPAEIW-FVCICTRLSA-N 484.904 -0.102 50 20 JBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN1Cc3ccccc3C1=O)C2 1801011587 PNORJIGOGXDGOK-FEJSZKPUSA-N 471.558 -0.005 50 20 JBGD C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807359822 LSMXOAXEMAPLTO-JGYOEJGDSA-N 462.315 -0.061 50 20 JBGD O=C(CNC(=O)C(F)(F)F)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1813096774 FJJLUJZNJBNRQY-CRAIPNDOSA-N 478.236 -0.241 50 20 JBGD C[C@H](C(=O)N[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1)[C@H]1SC(=N)NC1=O 1815340063 DAPFVXDRVJROEB-TURKWSHLSA-N 487.372 -0.149 50 20 JBGD CS(=O)(=O)CCC(=O)N[C@@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815361917 UFJRBUSZZPYNFD-CYBMUJFWSA-N 451.335 -0.517 50 20 JBGD Cc1cn(CC(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cnccc3C(=O)NN)n[nH]2)c(=O)nc1O 1819404463 MRXQZIDZHMEPMF-INIZCTEOSA-N 495.500 -0.015 50 20 JBGD COc1ccc(OCC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)cc1 1830238407 LASXQPGWVZHEAY-DEOSSOPVSA-N 499.524 -0.157 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)C=CC2=O)CC1 1831983914 MIWDXZXPSHYJPK-GOSISDBHSA-N 468.514 -0.157 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(CN(C(=O)CSc3ccncc3)CCO2)C1 1832707824 KMCNFJKQIHHYHV-QFIPXVFZSA-N 486.554 -0.058 50 20 JBGD CN1CCC(C(=O)N2CCC(N3CCC(NC(=O)c4ccc(B(O)O)cc4)CC3)CC2)CC1 1834798066 QOPJNBDSAXBRQD-UHFFFAOYSA-N 456.396 -0.107 50 20 JBGD N[C@@H](Cc1cscn1)C(=O)N1CCC(N2CCC(NC(=O)c3cccc(B(O)O)c3)CC2)CC1 1834800172 WLDNWFYKFLVWGC-NRFANRHFSA-N 485.419 -0.422 50 20 JBGD CN1CCN(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)CCBr)CCO3)CC1 1834822431 NJZIDZJBWFLEBM-IBGZPJMESA-N 461.401 -0.135 50 20 JBGD C[C@@H](Cc1ccccn1)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835939721 FRHPXXYRENHXAH-MHECFPHRSA-N 467.331 -0.290 50 20 JBGD O=C(Cc1cc(F)cc(F)c1)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1836120325 MTHJVIOQITZZOB-QHCPKHFHSA-N 474.269 -0.043 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3[C@H]4SC=C[C@H]43)C2)C1 1837460118 VTRKHUVTFZMGJQ-YHXHNGJMSA-N 459.528 -0.370 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)CCCn3ccnc3)C2)C1 1837460346 CFKLTLCDSMOGAM-JOCHJYFZSA-N 471.518 -0.568 50 20 JBGD CCOC(=O)C1(C(=O)N2CCOC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)CC1 1840184953 IAZRHCBWKWEGCF-FQEVSTJZSA-N 454.524 -0.841 50 20 JBGD Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)c(O)c1 1840667765 BQYXVXMCSHSDNR-QHCPKHFHSA-N 454.288 -0.236 50 20 JBGD O=C(NNc1ccc(S(=O)(=O)NC2CC2)cc1)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 728210068 QAVJPHDAHFGANF-WFASDCNBSA-N 456.546 -0.394 50 20 JBGD CC(C)[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 728385203 PWIUZUSLOOGHTM-SUMWQHHRSA-N 489.572 -0.267 50 20 JBGD CCN1CCN(CC(=O)NNC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)C(=O)C1=O 729298323 BENMELVAMVXEMZ-UHFFFAOYSA-N 476.493 -0.104 50 20 JBGD O=C(COC(=O)CNS(=O)(=O)c1cccc(F)c1)NNC(=O)[C@@H]1COc2ccccc2O1 786570813 LOSHHCWMCDEYNA-INIZCTEOSA-N 467.431 -0.365 50 20 JBGD C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)NNC(=O)N[C@@H]3CCS(=O)(=O)C3)cc2)C[C@@H](C)O1 919884589 IFPNEISAXLFRCX-UMVBOHGHSA-N 474.561 -0.384 50 20 JBGD C[C@@H](Oc1ccccn1)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779034777 UWJMQKIYXADEIO-IVZQSRNASA-N 454.487 -0.009 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(=O)nc4sccn34)C2)C1 1779954804 QOZGKIYWYDFZNZ-NRFANRHFSA-N 483.510 -0.488 50 20 JBGD C[C@@H](O)[C@H](NC(=O)c1ccccc1)C(=O)N1CCO[C@@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783933221 SJHXGRLDZMCVLY-QATBIIFWSA-N 489.573 -0.631 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)CS(C)(=O)=O)C[C@@H]21 1787506942 UYAJCWMCBYZRCF-XPSVRQCTSA-N 481.575 -0.219 50 20 JBGD O=C(Cc1ccc2c(c1)OCO2)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1795310566 PESDVMODQSJFOO-FAQVEIGNSA-N 452.272 -0.459 50 20 JBGD O=C1CCc2ccc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)c3ccc(B(O)O)cc3)cc2N1 1795736000 NQLUJGJQNORWLN-OPMZPASUSA-N 463.299 -0.232 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2)c1n[nH]cc1I 1798115319 HXOATHBMGFYZQM-JZSSXWJLSA-N 468.679 -0.183 50 20 JBGD CN1CCN(C2(C(=O)NC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)[C@@H]3c3cccnc3)CC2)CC1 1807939558 BQRDAEPHBOBBSF-JTHBVZDNSA-N 491.401 -0.139 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCC2(CCCN(C(=O)CC[C@@H](N)C(N)=O)C2)CC1 1809821759 IFPPMSSILNXZNM-KSXCTLEASA-N 459.551 -0.056 50 20 JBGD NCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1828963685 HPUDTKTXUZVZFK-XMMPIXPASA-N 495.540 -0.291 50 20 JBGD COc1ccccc1C(=O)N1CC(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)C1 1830719244 AZYPTKOBUBOPFQ-FDDCHVKYSA-N 495.960 -0.177 50 20 JBGD COc1ccc([N+](=O)[O-])c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)n1 1830728213 QNHJYKROUGYBIZ-ACJLOTCBSA-N 458.855 -0.332 50 20 JBGD CC(=O)NC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C2)C1 1831472061 CHEHDQXMFYNGKK-BHSKHCGUSA-N 476.534 -0.509 50 20 JBGD CCC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCS(=O)(=O)CC3)C2)C1 1831640539 NJMXTDBWNHXWKQ-LPHOPBHVSA-N 466.000 -0.419 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)C=CC2=O)CC1 1831984756 PVHCAWQLKLFMMO-IBGZPJMESA-N 453.304 -0.475 50 20 JBGD COc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)s1 1833418817 OGRPAPKJCXPXIO-NRFANRHFSA-N 460.317 -0.180 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)c3cnc(O)nc3O)CC2)CC1)c1ccc(B(O)O)cc1 1834798684 XNDPJCMRIMKTIW-UHFFFAOYSA-N 469.307 -0.933 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC1CCN(C2CCN(C(=O)CCN3CCOCC3)CC2)CC1 1835736780 HLIJUNVHWJVRJN-UHFFFAOYSA-N 487.605 -0.407 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1)c1n[nH]cc1[N+](=O)[O-] 1835866576 KRTGWTCWKJZCOG-UHFFFAOYSA-N 470.295 -0.503 50 20 JBGD CCc1noc(C)c1C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835931025 DDZFMVIUFZSDLG-JOCHJYFZSA-N 457.292 -0.391 50 20 JBGD CC(C)(C)n1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)cn1 1835935242 JWZCVVFMYLVKRV-QHCPKHFHSA-N 470.335 -0.298 50 20 JBGD CCc1[nH]nc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)c1Cl 1835935351 BQDFVMVABCVKEW-OAQYLSRUSA-N 476.726 -0.311 50 20 JBGD O=C(c1ccn2cncc2c1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835936952 LSEBFJSTUCTUKK-HSZRJFAPSA-N 464.287 -0.602 50 20 JBGD COc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)cc1N(C)C 1835939306 LUAZLOBWKDDSHE-RUZDIDTESA-N 497.357 -0.175 50 20 JBGD COc1ccc(F)cc1C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835941774 PCHGEQHVYKULJN-QHCPKHFHSA-N 472.278 -0.102 50 20 JBGD CC[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCN(C(C)=O)CC3)CCO2)C1 1836769149 MTLMVWVGPUGBTD-YLJYHZDGSA-N 489.411 -0.220 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)c3ccccc3)C2)C1 1837457465 CZHZIFFQPVDDLV-XXBNENTESA-N 469.498 -0.511 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc4ccnn34)C2)C1 1837460024 QSWPTHNCKBXFIW-HSZRJFAPSA-N 479.497 -0.283 50 20 JBGD C[C@@H](Oc1ccccc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1839218211 UIUFJCOTUCHTKE-KOSHJBKYSA-N 468.315 -0.096 50 20 JBGD CCN(CC)C[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1839676669 SJXQNUULNXAKNZ-WZONZLPQSA-N 461.368 -0.586 50 20 JBGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cn4c(nc3=O)SCC4)C2)C1 1840153907 FJBHWLSNMQDBSK-QRWLVFNGSA-N 486.978 -0.398 50 20 JBGD CC(C)(C)OC(=O)N1CCN(C(=O)CNC(=O)NNC(=O)CNC(=O)c2cccs2)CC1 725872238 BUYHIGABPPKCCG-UHFFFAOYSA-N 468.536 -0.112 50 20 JBGD Cc1noc(CCNC(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)n1 726271752 YVDWGHRDKSJQQF-UHFFFAOYSA-N 466.520 -0.095 50 20 JBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)c3cnc4c(c3)c(=O)n(C)c(=O)n4C)cc2)CC1 728215395 ZCKVGDQVCDWTGP-UHFFFAOYSA-N 487.542 -0.675 50 20 JBGD O=C(NNC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O)C(=O)N1CCCC1 748240099 QEWZKXALMWPFGS-ZDUSSCGKSA-N 450.473 -0.607 50 20 JBGD COCCn1cnc2c1c(=O)n(CC(=O)NNC(=O)c1cc(C)on1)c(=O)n2Cc1ccccc1 920445262 VUZWBDZORJPRNK-UHFFFAOYSA-N 481.469 -0.188 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2 1781048340 ZGKVUFNKODJSBN-HFJQGTKSSA-N 491.350 -0.663 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)[C@H]3Cc4[nH]nc(C(F)(F)F)c4C3)C2)C1 1782846170 NDBFDPQKCHPGIF-SZNDQCEHSA-N 492.263 -0.033 50 20 JBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CCc2nc(O)nc(O)c2C1)c1ccc(B(O)O)cc1 1794385698 YJZJZRUKYOCBCY-LLLHUVSDSA-N 466.303 -0.376 50 20 JBGD CCC(=O)N[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1803431737 WMWRGSXYVBLTDX-YWMUFLPLSA-N 452.320 -0.004 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCC([C@H]2CCCCN2C(=O)c2cc(=O)n3[nH]cnc3n2)CC1 1827047339 MILCEIFMAPVVJV-LJQANCHMSA-N 478.318 -0.356 50 20 JBGD CC(C)(C)OC(=O)N[C@H](CCO)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1830881825 KWYNCTRGABSLEH-STXHMFSFSA-N 479.958 -0.682 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(=O)oc1)CCO2 1834593019 UBIFCQVZRVVYKS-NMWDDECMSA-N 471.470 -0.156 50 20 JBGD Cc1nnc(CC(=O)NC2CCN(C3CCN(C(=O)c4ccc(B(O)O)cc4)CC3)CC2)s1 1834852555 DGJSLNSEHHNAEM-UHFFFAOYSA-N 471.392 -0.046 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC1CCN(C2CCN(C(=O)c3nccnc3C(N)=O)CC2)CC1 1835738024 QIJSHNIFVLNLCQ-UHFFFAOYSA-N 495.544 -0.927 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CNc4ccccc43)C2)C1 1835935410 DRVZFRGMQILZFP-YKSBVNFPSA-N 465.315 -0.354 50 20 JBGD C[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1)N1CSCSC1 1835938063 IAUGGVDTJBAICK-HRAATJIYSA-N 495.432 -0.521 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCC(N2CCC(NC(=O)c3cnc(O)[nH]3)CC2)CC1 1835964664 HHWNUQBSQSSDCJ-UHFFFAOYSA-N 456.507 -0.387 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(CN(C(=O)c3cc4cnccc4[nH]3)CCO2)C1 1837102150 KSKGUGOCASSIDJ-HSZRJFAPSA-N 479.497 -0.055 50 20 JBGD Cn1nc(C(=O)N2CCOC[C@]3(CN(C(=O)c4cnccc4C(=O)NN)CCO3)C2)c2c1CCC2 1837459621 SXYXFAYSVQFMEY-QHCPKHFHSA-N 483.529 -0.709 50 20 JBGD CN(CC(=O)N1CCO[C@]2(COCCN(C(=O)C3(C)COC3)C2)C1)NC(=O)NCc1ccccc1 1839053995 ATJJYFOTADHIBT-XMMPIXPASA-N 489.573 -0.175 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccccc1-n1nccn1)CCO2 1839379504 BWZQPQRUUPJBTN-XMMPIXPASA-N 491.313 -0.669 50 20 JBGD Cc1nnc(CC(=O)N2CCOC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)s1 1840183919 HWHTXHJLZQFVRJ-LJQANCHMSA-N 454.553 -0.782 50 20 JBGD COC(=O)c1ccc(CC(=O)N2CCOC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)cc1 1840185990 VKJKCQZPTCETDS-XMMPIXPASA-N 490.557 -0.155 50 20 JBGD Cc1nc2n(n1)C[C@@H](NC(=O)NNC(=O)CCc1ccc(S(=O)(=O)N3CCOCC3)cc1)CC2 727228551 GQZRJSXARLQUOM-KRWDZBQOSA-N 491.574 -0.115 50 20 JBGD O=C(NNC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1)N[C@@H]1CCS(=O)(=O)C1 730535619 RHQHYISAGRAUMH-HZPDHXFCSA-N 458.562 -0.254 50 20 JBGD CC(C)n1nc(C(=O)NNC(=O)NCCS(=O)(=O)N2CCOCC2)c2ccccc2c1=O 748111193 IRZLZFJPRDMWJL-UHFFFAOYSA-N 466.520 -0.417 50 20 JBGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)CNC(=O)NCc1ccco1 917933882 TVTDZBSQAHRIFQ-UHFFFAOYSA-N 493.542 -0.120 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CNC(=O)N(C)C)C2 1778091491 HORQFYCVBZPQSU-ZZLSVPGXSA-N 475.550 -0.095 50 20 JBGD COC[C@@H](Cl)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CN2CCN(C(C)=O)CC2)C1 1778910640 QYLXAFPWCBBJLR-DBXWQHBBSA-N 458.987 -0.082 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1CCc3nc[nH]c3C1)CCO2 1779034143 OIDHYOKZRURLSY-FPTDNZKUSA-N 453.503 -0.343 50 20 JBGD CN1C(=O)CC[C@H]1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnccc2C(=O)NN)C1 1779374155 FOEPGTIQSVSZLE-GSHUGGBRSA-N 458.519 -0.567 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)COCCNC(=O)OC(C)(C)C)C2)C1 1781203103 SLZLEKXXAKBGHW-JOCHJYFZSA-N 485.582 -0.269 50 20 JBGD C[C@H](NC(=O)c1ccccn1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786985245 VHJCENUPKMWNDP-HRDWYUFVSA-N 480.330 -0.827 50 20 JBGD COC(=O)[C@H]1CC[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)C1 1792966072 AKUGXJDKRJQAIE-FQRJBHLQSA-N 459.503 -0.522 50 20 JBGD CN(CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccn(C)c1=O)NC(=O)NCc1ccccc1 1793549317 VPENGYVYQUHKMT-HATOLVCRSA-N 496.568 -0.065 50 20 JBGD CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1793633733 YDQFSJSHCSSMJQ-LTCOOKNTSA-N 488.545 -0.102 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1CCC3(CC1)OCCO3)C2)c1ccc(B(O)O)cc1 1795736850 NVWFTUADISXPAZ-OPVJXMOQSA-N 458.320 -0.497 50 20 JBGD CC(=O)NCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN(C)NC(=O)NCc1ccccc1)C2 1800512634 BEWNOTQZJJYDAV-RMFSNUHRSA-N 460.535 -0.942 50 20 JBGD COC(=O)CSCC(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1803575636 OYLVOPZHZFIWPL-LAUBAEHRSA-N 471.344 -0.013 50 20 JBGD CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCC2(CCCN(C(=O)c3ccc(B(O)O)cc3)C2)CC1 1809972755 PJIHMJJTORCBDV-OAQYLSRUSA-N 481.362 -0.318 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@H]1CCN(C(=O)[C@H]2CCC(=O)N2)[C@H]1c1cccnc1 1810299108 NPNYANORMGZTTD-BJZITVGISA-N 451.487 -0.322 50 20 JBGD O=C(CCN1CCOCC1)N[C@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815339631 KPBQFZSVLHBECC-INIZCTEOSA-N 458.349 -0.229 50 20 JBGD O=C(CCc1cccc([N+](=O)[O-])c1)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1832173889 WPTCGFRLYRNPDZ-XMMPIXPASA-N 497.313 -0.023 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(CN(C(=O)CCc3cn[nH]c3)CCO2)C1 1832941208 YUTXVWHWPJREPT-NRFANRHFSA-N 457.491 -0.889 50 20 JBGD CC(=O)Nc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)n1 1833335598 SNTAGIBJFYLJAT-HSZRJFAPSA-N 482.302 -0.896 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(O)nc(Cl)c1)CCO2 1833576727 YEUFSLVGWLHTDR-OAQYLSRUSA-N 475.694 -0.496 50 20 JBGD CN1CCN(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](F)Br)C3)C2)CC1 1835402905 SUCQSTHKLKVUBV-WMZOPIPTSA-N 465.364 -0.229 50 20 JBGD C[C@@H](Cn1cncn1)C(=O)N1CCC(N2CCC(NC(=O)c3cnccc3C(=O)NN)CC2)CC1 1835737883 LJYLIRIJMQLWBP-INIZCTEOSA-N 483.577 -0.202 50 20 JBGD O=C(/C=C/c1cccnc1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835935657 XVDYRCVMXMUKFY-BMOUEYTDSA-N 451.288 -0.455 50 20 JBGD Cc1nc(F)ccc1C(=O)N1CCOC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837459372 NLIFAFFZXXMSTE-JOCHJYFZSA-N 472.477 -0.089 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(O)c(F)c3)C2)C1 1837459998 QJPLRDQDNJWOST-QFIPXVFZSA-N 473.461 -0.086 50 20 JBGD Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)ccn1 1837937961 BSSNABZIQKWMEE-JOCHJYFZSA-N 454.487 -0.228 50 20 JBGD COc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)ccn1 1837976965 NUXWULVMDVYEOH-QFIPXVFZSA-N 455.276 -0.846 50 20 JBGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)NC(=O)c1ccccn1)CCO2 1839667270 GTOVNWSMMAOWAT-QYWGDWMGSA-N 468.938 -0.090 50 20 JBGD CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)Br)CCO2)C1 1840036040 CKENMKGKJMBLAK-URKNILKWSA-N 486.367 -0.303 50 20 JBGD COc1nc(C)ccc1C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840184824 BILAYZCAESDOKC-JOCHJYFZSA-N 463.535 -0.158 50 20 JBGD C[C@H](Oc1ccccn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1840424484 ODJSOYAGEARTIC-SBUREZEXSA-N 469.303 -0.701 50 20 JBGD CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843011872 FBSJKUPHAIIGKV-KRWDZBQOSA-N 461.324 -0.541 50 20 JBGD CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CC2(CCCN2C(=O)/C(C)=N/NC(=O)c2ccc[nH]2)C1 1843417176 FOWVVUYKWRRCMK-BLNASNEQSA-N 468.518 -0.206 50 20 JBGD O=C(NCCCN1CCOC1=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 728397230 AMRSNKKBNOHNOA-UHFFFAOYSA-N 455.493 -0.506 50 20 JBGD C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1 811832245 NEUMFKPVQNNAQJ-SFHVURJKSA-N 473.463 -0.258 50 20 JBGD CNC(=O)c1cc(S(=O)(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)cn1C 914688954 QCCNYUQEFSUIMG-UHFFFAOYSA-N 457.534 -0.677 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(N3CCCC3)ccn1)C2)c1ccc(B(O)O)cc1 1795734190 IOLKPAFHOJWQIH-OPMZPASUSA-N 464.331 -0.121 50 20 JBGD CS(=O)(=O)N1CCC(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](F)Br)C3)CC1 1797141044 SSJMAXKZKBJIOP-XJFOESAGSA-N 470.361 -0.062 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CC[C@H]2CCC(=O)N2C1 1799149170 WVEPELGZXYBMIF-GYVFZPLRSA-N 470.530 -0.711 50 20 JBGD CCS(=O)(=O)CC(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807361901 YDIOSUZCNHHMMR-PXNSSMCTSA-N 459.333 -0.484 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)CN2CC(=O)NC2=O)[C@H]1c1cccnc1 1813071038 OBPCGFUZNPYKCT-YWZLYKJASA-N 459.507 -0.988 50 20 JBGD CS(=O)(=O)CCC(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1813575028 UDBFVYVFSPMCGX-XLIONFOSSA-N 459.333 -0.484 50 20 JBGD COC[C@H](NC(C)=O)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1820187327 XZMGOTATVXBSDR-ZBFHGGJFSA-N 460.321 -0.800 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(F)(F)C(F)(F)C(=O)O)CCO2 1832251763 MERIQMASTDQAFJ-MRXNPFEDSA-N 486.419 -0.829 50 20 JBGD Cc1ccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)nc1 1832992001 VVORPDVOLURIDP-XMMPIXPASA-N 467.331 -0.227 50 20 JBGD CC(=O)NCC(C)(C)C(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834797775 DHXRIYQTGDZWIH-UHFFFAOYSA-N 472.395 -0.286 50 20 JBGD CCNC(=O)N[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834798621 RNWRDELTPBYYJB-INIZCTEOSA-N 473.383 -0.741 50 20 JBGD O=C(CCCc1ccncc1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835935425 SHULVXDHRXNNJB-XMMPIXPASA-N 467.331 -0.146 50 20 JBGD C[C@H](Nc1cnccn1)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837459970 XMOMJFRCXKUJOG-OYHNWAKOSA-N 484.517 -0.954 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837564437 OLOFQQZCTWVSPE-LRWUZORYSA-N 470.486 -0.533 50 20 JBGD C=CC(=O)N[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3cnccc3C(=O)NN)CC2)CC1 1838394012 KFNYCBOPFJSDBA-OAHLLOKOSA-N 472.546 -0.012 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(=O)ccn1C)CCO2 1838531957 QHFNCKZOQDXJBK-AJPHYDNBSA-N 484.513 -0.411 50 20 JBGD C[C@@](Cl)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CC(=O)NC3=O)C2)C1 1839150531 OSGJTHCBDXCCIL-SJORKVTESA-N 451.307 -0.769 50 20 JBGD CC(=O)N1CCN(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](F)Br)CCO3)CC1 1839201329 VCCBGCVHQAPIQI-WMZOPIPTSA-N 479.347 -0.703 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)c1cc(F)cc([N+](=O)[O-])c1)CCO2 1839353323 OCBYPLKCEISBRZ-QFIPXVFZSA-N 487.249 -0.203 50 20 JBGD C[C@@H](Cn1ccnc1)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1840433798 HBUZMMTVUHVNJA-UWJYYQICSA-N 450.540 -0.651 50 20 JBGD Cc1cn(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](F)Br)C3)C2)c(=O)nc1O 1840807948 AJZYMOHHNOXBDE-SUMWQHHRSA-N 477.287 -0.596 50 20 JBGD Cc1cn(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@](C)(Cl)CCl)C3)C2)c(=O)nc1O 1840808378 VBQDQJRROUSYEL-RBUKOAKNSA-N 477.345 -0.050 50 20 JBGD O=C(CCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)NNC(=O)c1cnn[nH]1 729455671 SEMJECPLOFSMFP-UHFFFAOYSA-N 469.911 -0.468 50 20 JBGD O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 729619694 RVPAVRKSAUKPGS-IAGOWNOFSA-N 467.548 -0.485 50 20 JBGD CC(C)Cn1cnc2c1c(=O)n(CC(=O)NNC(=O)CNC(=O)C1CC1)c(=O)n2Cc1ccccc1 914857525 BOBUDGFHZJDERR-UHFFFAOYSA-N 495.540 -0.262 50 20 JBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2ccc(F)cc2Br)n(C)c1=O 918340317 JWHQRTBWZHTTTG-UHFFFAOYSA-N 453.228 -0.204 50 20 JBGD CCOc1ccc(S(=O)(=O)N2CCC(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)CC2)cc1 920297350 CBDVLVRKRQZKBO-ZDUSSCGKSA-N 476.577 -0.429 50 20 JBGD Cc1cc(C)n2ncc(C(=O)N3CC[C@@]4(CN(C(=O)c5ccc(B(O)O)cc5)CCO4)C3)c2n1 1777775573 HFSGKQHPTCUTOT-QHCPKHFHSA-N 463.303 -0.217 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cn1ccnn1)C2 1778091225 RJECTGNSIBHVKS-SOPRMWLRSA-N 456.507 -0.074 50 20 JBGD CC[S@@](=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2 1779220973 FPFMGTJXXQZYBL-YVNAYOARSA-N 450.366 -0.347 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@]2(CN(C(=O)CN(C)C(=O)C(=O)O)CCO2)C1 1780098861 XAGJLLMTFOXVOL-NRFANRHFSA-N 492.441 -0.493 50 20 JBGD CN(CC(=O)N1CC[C@@]2(CN(C(=O)COCCO)CCO2)C1)NC(=O)NCc1ccccc1 1780968802 QBNGOYTXKHUHSC-QFIPXVFZSA-N 463.535 -0.829 50 20 JBGD CCC[C@@H](NC(C)=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2 1783185321 XWWASSNYWULKQJ-TXTKFYIRSA-N 459.352 -0.201 50 20 JBGD O=C(/C=C/C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)NCc1ccccc1 1784055255 MLVGQYYTQGFIPE-CWTQBQHLSA-N 491.353 -0.168 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CC[C@@H]4CCC(=O)N4C3)C[C@@H]21)c1cccc(B(O)O)c1 1786984868 SBPOVKOEVYTSLV-WJRACZLCSA-N 469.347 -0.639 50 20 JBGD Cc1cn(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H](F)Br)C[C@@H]32)c(=O)nc1O 1792133133 NUSGTYUEDQHING-MNXVOIDGSA-N 461.288 -0.072 50 20 JBGD Cn1c(=O)c2c(CC(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)[C@@H](F)Cl)C4)csc2n(C)c1=O 1799064637 WYAWIJPSIHOXMA-BAESOJJISA-N 472.926 -0.035 50 20 JBGD CN(CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc[nH]n1)C2)NC(=O)NCc1ccccc1 1799094652 CFMQCTHERRADEW-ALXJQNPVSA-N 456.507 -0.646 50 20 JBGD COC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C 1801011104 BMSQZESIFWOOBB-RCJHGTSTSA-N 485.582 -0.511 50 20 JBGD CCS(=O)(=O)CC(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1803514640 MLZPJLSDDLKGKW-XLIONFOSSA-N 459.333 -0.484 50 20 JBGD NC(=O)c1ncccc1C(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1804805750 DKCGVVUKSCPOCI-UWJYYQICSA-N 473.298 -0.111 50 20 JBGD O=C(Cn1ccccc1=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807439711 XVTUVXORMOGZPF-AUSIDOKSSA-N 460.299 -0.057 50 20 JBGD O=C(COc1ccc(O)nn1)N1CCC2(CCCN(C(=O)c3ccc(B(O)O)cc3)C2)CC1 1809974122 RFPDTGIEYRNNHM-UHFFFAOYSA-N 454.292 -0.214 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)CN2C(=O)CNC2=O)[C@H]1c1cccnc1 1813067865 GYNGNJXDPSJLJT-YWZLYKJASA-N 459.507 -0.988 50 20 JBGD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2cc(=O)n3[nH]cnc3n2)[nH]n1)c1cccc(B(O)O)c1 1817475336 OBMPMBIXOPZBOA-MRXNPFEDSA-N 476.262 -0.560 50 20 JBGD CCOC(=O)N[C@H](O)C(=O)N[C@@H]1CCc2nc(NC(=O)CCC(=O)NN(C)C)sc2C1 1826087833 LQYLELLSTHROOQ-QLJPJBMISA-N 456.525 -0.507 50 20 JBGD COc1ccc([C@@H](O)C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)cc1 1830216485 DIYHYPLGDTZKIV-YKSBVNFPSA-N 499.524 -0.503 50 20 JBGD CCOC(=O)N[C@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)CBr)CCO2)C1 1830539281 GAQZPDAAFHMJIL-PBFPGSCMSA-N 466.329 -0.462 50 20 JBGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](O)CNC(=O)OC(C)(C)C)CCO2)C1 1830573797 QBMRASCMZIQMGQ-AUSJPIAWSA-N 479.958 -0.418 50 20 JBGD CC(C)(C)OC(=O)N1CC(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)C1 1830730431 ACWNDJMTLQPDIN-MGPUTAFESA-N 461.943 -0.091 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)CS(C)(=O)=O)CCO2 1831455765 CCDKESMDCBIONR-JOFFPFSTSA-N 497.574 -0.743 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CC(=O)N(C3CCCC3)C1)CCO2 1832356957 JOLIUQYHNOQCET-UQBPGWFLSA-N 499.373 -0.773 50 20 JBGD O=C(NCC(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1)c1cccnc1 1834797431 KLSDTBVMUKKWHV-UHFFFAOYSA-N 493.373 -0.623 50 20 JBGD Cc1nn2cc(CC(=O)N3CCOC[C@@]4(C3)CN(C(=O)c3ccc(B(O)O)cc3)CCO4)nc2s1 1835927012 BKSSHJSFTVLGRN-JOCHJYFZSA-N 499.358 -0.908 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)c3cccc4[nH]ncc34)C2)C1 1835928373 MYFSYPFZHMGEBS-HSZRJFAPSA-N 464.287 -0.374 50 20 JBGD O=C(CN1CCc2sccc2C1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835933713 ASQSEDXOHZFFPC-XMMPIXPASA-N 499.398 -0.444 50 20 JBGD COC(=O)[C@@H]1CC[C@@H](C(=O)N2CCOC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)C1 1835933779 DGVZWGVTIYXVTQ-PMAPCBKXSA-N 474.319 -0.974 50 20 JBGD COc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C(C)=N/NC(=O)c4ccc[nH]4)C3)C2)nn1C 1838833670 IWACQFDSCGTUII-VCOZGABYSA-N 487.517 -0.367 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839200657 OECCYMGLJSXMHU-SUMWQHHRSA-N 474.287 -0.554 50 20 JBGD C[C@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)CN(C)C(=O)C(=O)O)CCO2)C1 1839701424 YRNHVSIINNPBDJ-PXAZEXFGSA-N 464.313 -0.983 50 20 JBGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc4ncccn4n3)C2)C1 1840032860 MHRCJIKXFZMTTB-SJCJKPOMSA-N 453.297 -0.022 50 20 JBGD CS(=O)(=O)N1CCN(CCNC(=O)NNC(=O)COc2ccc(Br)cc2)CC1 727240465 KOQVEHBQGIENND-UHFFFAOYSA-N 478.369 -0.265 50 20 JBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)CN3C(=O)[C@@H]4[C@@H](C3=O)[C@H]3C=C[C@H]4C3)cc2)CC1 728213236 VTGQZLLDSAKYPI-SLUIBLPYSA-N 473.555 -0.127 50 20 JBGD CCN(CC)S(=O)(=O)c1ccc(Cl)c(S(=O)(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c1 728510815 VKJGNZMVNHEKPI-SNVBAGLBSA-N 491.013 -0.382 50 20 JBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)CNS(=O)(=O)c2cccc(F)c2)c1 913465263 OAHHQIDFLVLKTC-UHFFFAOYSA-N 458.493 -0.185 50 20 JBGD CSCC[C@H](NS(=O)(=O)c1ccccc1)C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 919885598 MXZKWZZPVBSBHM-OCCSQVGLSA-N 464.591 -0.396 50 20 JBGD C[Si](C)(C)OCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(=O)n3[nH]nnc3n2)C1 1777821926 POKUNKQBHHWCGR-AUUYWEPGSA-N 463.571 -0.208 50 20 JBGD CC(=O)N/C(C)=C/C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnccc2C(=O)NN)C1 1779374636 UONLGWFONJLMFR-BESMLONZSA-N 458.519 -0.148 50 20 JBGD C[C@H](Br)C(=O)N1CC[C@]2(CN(C(=O)CN3CCS(=O)(=O)CC3)CCO2)C1 1783529818 NUYVFFQRXOBHLU-BBRMVZONSA-N 452.371 -0.670 50 20 JBGD O=C1CCc2ccc(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)c5cccc(B(O)O)c5)C[C@@H]43)nc2N1 1787267692 UPGRSFIRHFHWDN-QRFRQXIXSA-N 478.314 -0.447 50 20 JBGD CC(C)(C)OC(=O)NCCOCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795735749 CXGQVCFDFZBAQW-XEMDLRDOSA-N 491.350 -0.889 50 20 JBGD CN(CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C\C(=O)NC1CC1)NC(=O)NCc1ccccc1 1797615858 LWZSPODQZRAPCG-NFRAVTBUSA-N 498.584 -0.243 50 20 JBGD Cc1nccn1CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1801310339 JVIIBXOFUVTFCC-CWPLJXCYSA-N 455.519 -0.126 50 20 JBGD C[C@H](CS(C)(=O)=O)C(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834797818 JRTQMQOFJORLSP-MRXNPFEDSA-N 479.408 -0.768 50 20 JBGD Cc1nc(N)sc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1835803947 OFVUHSMVEQNOPV-FQEVSTJZSA-N 475.531 -0.584 50 20 JBGD COc1ncc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)cc1F 1835935400 QXVJEMGBQRWECF-JOCHJYFZSA-N 473.266 -0.707 50 20 JBGD Cc1noc(C)c1CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnccc1C(=O)NN)CCO2 1837456446 MWMUTWNYWWZYLA-QFIPXVFZSA-N 472.502 -0.397 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)C(=O)c3ccccc3)C2)C1 1837456573 KNDMESPFRJTUQK-HSZRJFAPSA-N 467.482 -0.362 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4n(n3)CCC4)C2)C1 1837459094 ISMBDFFIRDBSGY-QFIPXVFZSA-N 469.502 -0.788 50 20 JBGD O=C1CCc2ccc(C(=O)N3CCO[C@]4(COCCN(C(=O)c5cccc(B(O)O)c5)C4)C3)cc21 1839528480 CDEIEZKXVVQNEA-VWLOTQADSA-N 478.310 -0.121 50 20 JBGD CC[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(=O)n4[nH]cnc4n3)C2)C1 1839964338 OVQRUNYXGFXQNA-KZULUSFZSA-N 483.323 -0.339 50 20 JBGD C[C@@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)CN3C(=O)C=CC3=O)CCO2)C1 1840260787 AIOSPAJFHYFREG-UGSOOPFHSA-N 458.309 -0.601 50 20 JBGD Cc1nccn1[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1840492417 LARPQNRNEZLCNC-OYHNWAKOSA-N 471.518 -0.479 50 20 JBGD C[C@@H](O)[C@H](NC(=O)c1ccccc1)C(=O)N1CC2(CCCN2C(=O)CCC(=O)NN(C)C)C1 1846384010 TTYZMSGALPPCHK-UZLBHIALSA-N 459.547 -0.258 50 20 JBGD O=C(CS(=O)(=O)C1CCCC1)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 915802988 ZITONHWOIQPTRA-UHFFFAOYSA-N 459.546 -0.174 50 20 JBGD COC(=O)c1cc(S(=O)(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)ccc1Br 918151290 OOTSJYRXTDSZAN-QMMMGPOBSA-N 455.308 -0.020 50 20 JBGD CCS(=O)(=O)N1CCC(C(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)(c2ccccc2)CC1 919886226 QMDVOUDGCWLCDG-MRXNPFEDSA-N 472.589 -0.113 50 20 JBGD CC(C)(CCl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCS(=O)(=O)CC3)C[C@@H]21 1783846022 KOFZPSHKVBYMBC-JYJNAYRXSA-N 450.001 -0.039 50 20 JBGD CCOC(=O)N1CCC(C(=O)N2CC[C@]3(CN(C(=O)c4cnccc4C(=O)NN)CCO3)C2)CC1 1785373671 CDEJRBDLNYQNPY-HSZRJFAPSA-N 488.545 -0.003 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCc4nc[nH]c4C3)C[C@@H]21)c1ccc(B(O)O)cc1 1786983692 QWKPVHKWLCACAZ-STHPQGGCSA-N 452.320 -0.512 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1cc(=O)nc2sccn12 1789136309 IOJAINCYNYGWMD-ZVZYQTTQSA-N 482.327 -0.657 50 20 JBGD C[C@H](NC(=O)c1ccccn1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1790585890 UASGAPHBBWJVGS-HRDWYUFVSA-N 480.330 -0.827 50 20 JBGD CNC(=O)CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN(C)NC(=O)NCc1ccccc1)C2 1793285313 HAGKGROHAIZZDC-UPHUGPLXSA-N 460.535 -0.942 50 20 JBGD CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795732995 UVWMETUUBZVDPV-UKBAYJJMSA-N 473.335 -0.421 50 20 JBGD Cc1cc(C)n(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)n1 1801248253 LPYJJWNZFIBEEE-CWPLJXCYSA-N 455.519 -0.208 50 20 JBGD O=C(NC[C@H]1CCN(C(=O)Cn2ccccc2=O)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807362264 FYWFQJRVQWAILS-AUSIDOKSSA-N 460.299 -0.057 50 20 JBGD CN1CCN(CC(=O)NC[C@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)CC1 1809601300 KSZBJFGYFISKHT-NFBKMPQASA-N 465.363 -0.672 50 20 JBGD O=C(CSc1nc[nH]n1)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1813345426 LXASZKURIDYDSE-LPHOPBHVSA-N 466.332 -0.009 50 20 JBGD CC(C)(C)OC(=O)N[C@]1(C(=O)N2CCOC[C@@]3(CN(C(=O)[C@@H](O)CCl)CCO3)C2)CCOC1 1830733496 NLNKTVFEGZERRL-IWMITWMQSA-N 491.969 -0.274 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC1CCN(C2CCN(C(=O)[C@@H]3CNC(=O)C3)CC2)CC1 1835738145 IKOVQXLMUCWKLW-AWEZNQCLSA-N 457.535 -0.994 50 20 JBGD COc1nc(C)ccc1C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835931157 HSEOYPFWLFXCEW-QHCPKHFHSA-N 469.303 -0.538 50 20 JBGD O=C(CCc1cccnc1)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835935456 FRLBHHNZOKWKMU-QHCPKHFHSA-N 453.304 -0.536 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1835939599 UXQZHOUKWCTKBV-WMLDXEAASA-N 459.077 -0.873 50 20 JBGD O=C(C1=NO[C@@H](c2ccccc2)C1)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1836588305 WPXOWBSVBZWFKA-RDGATRHJSA-N 493.325 -0.046 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C(=O)c3ccccc3)C2)C1 1837456577 KNDMESPFRJTUQK-QHCPKHFHSA-N 467.482 -0.362 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)c1nnc(-c3ccccc3)o1)CCO2 1837535954 VKFPHTOYXDDJPC-DEOSSOPVSA-N 492.297 -0.200 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(-c3ccncc3)[nH]n1)CCO2 1838011218 NHDSUICNHIQLCS-XMMPIXPASA-N 491.313 -0.465 50 20 JBGD COc1ccsc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1838293361 VXZASKZPYUJMEY-NRFANRHFSA-N 460.317 -0.180 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccnnc1O)CCO2 1838372154 QMEHGEHPHZIROD-GQBLCDNYSA-N 471.474 -0.614 50 20 JBGD CN1CCN(C2(C(=O)N3CCO[C@@]4(COCCN(C(=O)[C@H](F)Br)C4)C3)CC2)CC1 1839107369 IFOPVSZRUQVJQO-MAUKXSAKSA-N 477.375 -0.087 50 20 JBGD CCN(C)[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C2)C1 1839640362 ZSGHVMRMCHFXGK-ITSXBRTRSA-N 462.551 -0.083 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(CN(C(=O)C[C@@](C)(O)CC(=O)O)CCO2)C1 1840179255 ILQLDJQAJZWUFT-TZLVOWRPSA-N 493.517 -0.807 50 20 JBGD CC[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840185978 VEJUMNRFXSOHJU-KDOFPFPSSA-N 463.373 -0.011 50 20 JBGD Cc1cc(C(=O)N2CCCC23CN(C(=O)c2cccc(B(O)O)c2)C3)n(-c2cccc(=O)n2C)n1 1843131925 LPMRTPUHQJHIGL-UHFFFAOYSA-N 475.314 -0.310 50 20 JBGD CCN(CC)S(=O)(=O)c1ccc(NCCOC)c(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)c1 728389779 ZCJILRBAIMGUCO-AWEZNQCLSA-N 490.604 -0.029 50 20 JBGD O=C1Cc2cc(S(=O)(=O)NNC(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)ccc2N1 743776437 FRQPCXAYPTYKCY-UHFFFAOYSA-N 480.524 -0.175 50 20 JBGD N#Cc1ccc(OCC(=O)NNC(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)cc1 916516115 FICUNVIKEIZBIU-UHFFFAOYSA-N 487.542 -0.186 50 20 JBGD O=C(CS(=O)(=O)c1cccc(Br)c1)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 919887246 YKNSHSUCWWRACB-SNVBAGLBSA-N 454.324 -0.260 50 20 JBGD CSCC[C@H](C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 920744156 ASZYYRFPWYAPLP-ZOBORPQBSA-N 460.578 -0.199 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(O)nc(O)c2)C1 1777850803 JNHGCUPVZVYHBL-OPAMFIHVSA-N 470.486 -0.067 50 20 JBGD COc1ccc(C(=O)N2CC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)c(O)c1OC 1781825691 ONEHWAKANAHVHI-HSZRJFAPSA-N 470.287 -0.154 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)c3cnc4c(c3)NC(=O)CS4)C2)C1 1782424323 OZUGNXVJKZDZIJ-NRFANRHFSA-N 476.559 -0.058 50 20 JBGD COCCOCCOCCOCC(=O)N1CCO[C@]2(CCN(C(=O)[C@H](Cl)COC)C2)C1 1783879519 WFGYIBREQCASSJ-YLJYHZDGSA-N 466.959 -0.234 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnn4c3OCCC4)C[C@@H]21 1788609934 UGHDYEDUPHTDHS-KKXDTOCCSA-N 469.502 -0.429 50 20 JBGD Cn1c(=O)c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)nc2ccccc21 1797750819 RGQDBGVYBNGXPH-HBCWATKFSA-N 491.508 -0.551 50 20 JBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1COCCN1C(=O)OC(C)(C)C)C2 1801010820 WUAZQAUZQJIHLO-AXVVYFOYSA-N 497.593 -0.415 50 20 JBGD CN(CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCn1ccnn1)NC(=O)NCc1ccccc1 1801395003 IPQOGUBLBQHAHS-HATOLVCRSA-N 484.561 -0.396 50 20 JBGD CN(CC(=O)N1CC[C@H](CNC(=O)C(O)O)[C@@H]1c1cccnc1)NC(=O)NCc1ccccc1 1802923608 QPXSWSJRKMTUMC-QUCCMNQESA-N 470.530 -0.256 50 20 JBGD CS(=O)(=O)CCC(=O)N1CC[C@@H](CNC(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1810308652 LGGCLXFDIFLGMD-HNAYVOBHSA-N 474.543 -0.166 50 20 JBGD CCNC(=S)NCC(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1812331392 UZNXNTPVRFPHPA-XLIONFOSSA-N 469.376 -0.435 50 20 JBGD C[C@H](C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cccc(B(O)O)c1)CC2)[C@H]1SC(=N)NC1=O 1817248426 BMXOZOXTHYKTBF-TURKWSHLSA-N 487.372 -0.149 50 20 JBGD NNC(=O)c1ccncc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3n(n2)CCNC3=O)[nH]n1 1819402141 PGRAQROBHQOUSR-INIZCTEOSA-N 492.500 -0.032 50 20 JBGD CCOC(=O)N[C@H](O)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(B(O)O)c2)CC1 1828759673 MWPVWWVDELLOBB-RBUKOAKNSA-N 461.324 -0.336 50 20 JBGD COc1cccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)n1 1832821455 MLUWUGWEGMQODK-DEOSSOPVSA-N 483.330 -0.527 50 20 JBGD O=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1)c1ccccc1 1834703654 FMGVPMOGGDONAT-HSZRJFAPSA-N 452.272 -0.681 50 20 JBGD CC(=O)OC[C@@H](OC(C)=O)C(=O)NC1CCN(C2CCN(C(=O)[C@H](O)CCl)CC2)CC1 1835754167 USVPHGUDLLYWFX-QZTJIDSGSA-N 461.943 -0.348 50 20 JBGD Nc1ccccc1/C=C/C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1835776807 NATJEDFQIWGIRP-HCXLOTKHSA-N 465.315 -0.268 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)c3c(F)ccnc3Cl)C2)C1 1835935450 UACTWTBOWRPLFQ-NRFANRHFSA-N 477.685 -0.062 50 20 JBGD O=C(c1ccc(O)c(F)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835939412 PRHIYMVTHRVAPU-JOCHJYFZSA-N 458.251 -0.405 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc4nc[nH]c34)C2)C1 1837457785 RKTVPWNBJRUITH-QHCPKHFHSA-N 479.497 -0.055 50 20 JBGD CC(C)n1nccc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1838020398 GFLIJQDIRZXSJR-QFIPXVFZSA-N 456.308 -0.472 50 20 JBGD C[C@H](Oc1ccccn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1840427619 MMBUNVFLUWHBBV-HTAPYJJXSA-N 463.535 -0.322 50 20 JBGD CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N2CCCC23CN(C(=O)c2ccc(B(O)O)cc2)C3)[C@H](O)C1 1841026363 ZQLGLTKHOBQRBX-RTBURBONSA-N 487.362 -0.199 50 20 JBGD CC(C)(C)OC(=O)N1C[C@]2(C(=O)N3CC4(CCCN4C(=O)c4ccc(B(O)O)cc4)C3)C[C@H]1CO2 1843011974 PXYQOEFGKCXZLT-UUOWRZLLSA-N 485.346 -0.038 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCCC12CN(C(=O)c1ncn3nc(N4CCOCC4)ccc13)C2 1846384716 ZYPWGWUOSWPORE-UHFFFAOYSA-N 484.561 -0.244 50 20 JBGD C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)NNC(=O)[C@@H]3CCS(=O)(=O)C3)c2)C[C@@H](C)O1 15639688 RFKJJIJQIXMZKF-UMVBOHGHSA-N 459.546 -0.320 50 20 JBGD COc1cc(C(=O)NNC(=O)Cn2cc(Br)c(=O)[nH]c2=O)cc(OC)c1OC 26957328 GCWMTCMBAYRGEW-UHFFFAOYSA-N 457.237 -0.214 50 20 JBGD Cn1nc(C(=O)NNC(=O)CNS(=O)(=O)c2ccc3c(c2)OCCCO3)c2ccccc2c1=O 913573092 UZMXQHYVAALBET-UHFFFAOYSA-N 487.494 -0.166 50 20 JBGD COc1ccc(OCC(=O)NNC(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)cc1 916516740 QQOGYKNZCLMKKR-UHFFFAOYSA-N 492.558 -0.049 50 20 JBGD O=C(/C=C\C(=O)NC1CC1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2 1779227460 IKHUVLRCELHHML-VZVPXEAQSA-N 455.320 -0.671 50 20 JBGD C[C@H](Cn1cncn1)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnccc2C(=O)NN)C1 1779372721 ZQDDWOXJZNIVEQ-YBOAYWMSSA-N 470.534 -0.260 50 20 JBGD COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1783851331 MJFCTXZNTSLOAF-YYDVJCTNSA-N 456.304 -0.435 50 20 JBGD CN(CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCOCC1)NC(=O)NCc1ccccc1 1795440365 AIVZRNGVKHTGSF-JHDGKUDLSA-N 488.589 -0.746 50 20 JBGD CC(C)(C)OC(=O)N1CC[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)C1 1797221665 LDEKKBWIOBZRAF-GNBUJSLZSA-N 487.362 -0.173 50 20 JBGD C[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN(C)NC(=O)NCc1ccccc1)C2)n1ccnn1 1800268151 WGHVEGFGKFNRKM-ROPHOZQPSA-N 484.561 -0.225 50 20 JBGD C[C@H](NC(=O)c1ccccn1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(B(O)O)cc1)C2 1801260531 JLERUBFWUAFQQD-FZDIXFNVSA-N 450.304 -0.168 50 20 JBGD O=C(NCC(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1)c1cccnc1 1807364560 STYBHWNPBYDNNR-CVDCTZTESA-N 487.325 -0.094 50 20 JBGD C[C@](O)(CC(=O)O)CC(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807374727 LYYNBEZPXMIWIF-JWNTYJGQSA-N 469.303 -0.303 50 20 JBGD CN1C(=O)CC[C@H]1C(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1808758930 UQMLDMTWADJRLR-SLYNCCJLSA-N 450.304 -0.298 50 20 JBGD COC[C@H](NC(C)=O)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1810559373 KEZNJYNMDDFLPK-SESVDKBCSA-N 468.319 -0.768 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H](CNC(=O)[C@H]2CNC(=O)C2)[C@@H]1c1cccnc1 1812639378 LKMJBXSGOJMVGP-CLCXKQKWSA-N 451.487 -0.464 50 20 JBGD O=C(CCN1CCOCC1)N[C@@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815354432 ASSARRXCSGZHNH-MRXNPFEDSA-N 458.349 -0.229 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cnnn3)C2)C1 1832549649 WIDHSULGAQPJQO-IFXJQAMLSA-N 487.945 -0.738 50 20 JBGD COc1ncc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)cc1F 1833483489 AKFDROUWFXDQLI-QFIPXVFZSA-N 473.266 -0.707 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCC(N2CCC(NC(=O)Cn3cnnn3)CC2)CC1 1834875553 NUANGLVFPJFEHX-MFKUBSTISA-N 470.538 -0.621 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)Cc3ccccc3)C2)C1 1835932192 SKTPCXNHSMVFQJ-XUZZJYLKSA-N 468.315 -0.960 50 20 JBGD O=C(CCc1cc(F)ccn1)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835935052 DBRLCAKTVCSPMN-QHCPKHFHSA-N 471.294 -0.397 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)c3cn4ccsc4n3)C2)C1 1835937106 ONMAZSWWWQTKBJ-NRFANRHFSA-N 470.316 -0.541 50 20 JBGD Cn1ccc2c(O)ncc(C(=O)N3CCOC[C@@]4(CN(C(=O)c5cccc(B(O)O)c5)CCO4)C3)c21 1835937895 AHHICONFULJMRH-XMMPIXPASA-N 494.313 -0.658 50 20 JBGD Cc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)nn1C(F)F 1835938217 QOXINCFJVQBJDX-NRFANRHFSA-N 478.261 -0.350 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)c1nccc3occc13)CCO2 1836290943 ZVBRCGRDAJCMRS-HSZRJFAPSA-N 465.271 -0.109 50 20 JBGD O=C([C@H](O)CCl)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CN(Cc3ccccc3)CCO1)CCO2 1836684752 JULBGBUCYDCSQC-QTEQDKRBSA-N 481.977 -0.057 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)C1(C(F)(F)F)CC1)CCO2 1836715811 GNPGKCWTQPZYRJ-GOSISDBHSA-N 456.226 -0.221 50 20 JBGD CNC(=S)NCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)CBr)C2)C1 1837461910 IRRUYPQTQVBSMK-SUMWQHHRSA-N 465.414 -0.042 50 20 JBGD Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)nn1C(F)F 1838706298 SVRDCGMXLLIWJW-OAQYLSRUSA-N 478.261 -0.350 50 20 JBGD COC(OC)C(=O)N1CCOC[C@]2(CN(C(=O)CN(C)NC(=O)NCc3ccccc3)CCO2)C1 1839054263 PJIWPFZBEXPLEM-QHCPKHFHSA-N 493.561 -0.592 50 20 JBGD CN(CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cncnc3)C2)C1)NC(=O)NCc1ccccc1 1839054327 UJZWKWKSPLVBIW-XMMPIXPASA-N 497.556 -0.107 50 20 JBGD O=C(CNC(=O)c1ccco1)NNC(=O)N1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1 725871633 OSVGBUCRBSIILU-UHFFFAOYSA-N 475.487 -0.367 50 20 JBGD COCCn1cnc2c1c(=O)n(CC(=O)NNC(=O)c1cnc[nH]1)c(=O)n2Cc1ccccc1 725879241 CNMCCHVSGFEZRZ-UHFFFAOYSA-N 466.458 -0.761 50 20 JBGD O=C(NNC(=O)[C@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1)N[C@@H]1CCS(=O)(=O)C1 730535621 RHQHYISAGRAUMH-JKSUJKDBSA-N 458.562 -0.254 50 20 JBGD CCN(CC)S(=O)(=O)c1ccc(OCC(=O)NNC(=O)CN2CCCC2=O)c([N+](=O)[O-])c1 789857481 UTDLSZGTZUUIFI-UHFFFAOYSA-N 471.492 -0.226 50 20 JBGD COc1cc2c(cc1OC)[C@H](CC(=O)NNC(=O)CS(=O)(=O)C(C)C)N(S(C)(=O)=O)CC2 917767250 FTCDCWGDKKWHDQ-HNNXBMFYSA-N 491.588 -0.077 50 20 JBGD Cc1cc2nnc(C(=O)N3CC[C@]4(CN(C(=O)c5cccc(B(O)O)c5)CCO4)C3)c(C)n2n1 1777781431 SYHZZUUSIQTVQW-JOCHJYFZSA-N 464.291 -0.822 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(C1)CN(C(=O)c1cccn3c(O)nnc13)CCO2 1779029933 BZNVKYJGFPVECB-NRFANRHFSA-N 466.458 -0.809 50 20 JBGD CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C(=O)N3CC[C@]4(CN(C(=O)c5ccc(B(O)O)cc5)CCO4)C3)[C@@H]2C1 1783467535 SDQFNMWRGDXEAO-XZWCOCNFSA-N 499.373 -0.077 50 20 JBGD COc1ncc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)cc1F 1786980070 FTFOUWQQSPCLBF-FNHZYXHNSA-N 457.267 -0.184 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc4nonc4c3)C[C@@H]21)c1cccc(B(O)O)c1 1786983507 WGTJNVOKJQZWRX-KNBMTAEXSA-N 450.260 -0.190 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc4c(n3)OCCO4)[C@H]2C1 1787382820 SOEPZZQVIOPJGE-MPGHIAIKSA-N 461.519 -0.181 50 20 JBGD Cc1nnc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cnccc4C(=O)NN)[C@H]3C2)s1 1788610229 LJRGQZGFPXSKPG-RCBQFDQVSA-N 459.532 -0.319 50 20 JBGD Cc1nn(C)c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cnccc4C(=O)NN)[C@H]3C2)c1F 1788611667 OYBRLBZXQYGNIC-RCBQFDQVSA-N 459.482 -0.227 50 20 JBGD CC(C)(C)OC(=O)N1CC[C@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1793630233 RRMAOANUMKLFIZ-NBMJBFSESA-N 473.335 -0.421 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)[C@@H]1CC(=O)N(Cc2cccs2)C1 1793974533 STVIPHJJZWZKBN-QSNWEANLSA-N 497.382 -0.320 50 20 JBGD COC(=O)[C@H]1CCC[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)C1 1795741084 YZTHVKHKJDWSHZ-IHEQNBGGSA-N 458.320 -0.451 50 20 JBGD COC[C@H](NC(C)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc([N+](=O)[O-])ccc1OC(C)=O)C2 1797969862 UZTASHZIAFOMGJ-ZDUSMZPESA-N 492.485 -0.126 50 20 JBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1C[C@@]12C(=O)Nc1ccccc12 1800737538 WWDADIPPFUYTHJ-AKVBBSBSSA-N 469.542 -0.141 50 20 JBGD Cc1cc(C(N)=O)cc(C)c1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C 1801011728 YIFUBHOIHUWUPQ-UPHUGPLXSA-N 459.547 -0.021 50 20 JBGD Cc1cc(C(=O)NCC(=O)N2CC[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)no1 1807375703 PNBMSCQMIQXUNH-AVRDEDQJSA-N 491.313 -0.193 50 20 JBGD C=CC(=O)N[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1810526703 KFGMLXKZPDJSJT-FYINFDKHSA-N 450.304 -0.228 50 20 JBGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CCN2C(=O)C=CC2=O)[nH]n1)c1cccc(B(O)O)c1 1817474304 PTRXLMDAHRJRLW-KRWDZBQOSA-N 465.275 -0.290 50 20 JBGD CN(C)NC(=O)CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2nccnc2C(N)=O)[nH]n1 1822415146 UQEXAUDZKYUGIP-CYBMUJFWSA-N 457.495 -0.023 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(O)ncn1)CCO2 1831732394 BBFPIPIXMVQGSV-PFRKPPGBSA-N 471.474 -0.614 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnc(OCF)cn1)CCO2 1833573565 IWGMJUQCNCOKMS-FQEVSTJZSA-N 468.486 -0.775 50 20 JBGD COCc1oncc1C(=O)NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1835233226 JTZZGBSKXNCDQI-UHFFFAOYSA-N 470.335 0.000 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC1CCN(C2CCN(C(=O)c3cnc(O)[nH]3)CC2)CC1 1835737839 GQBYROKMUQFBHX-UHFFFAOYSA-N 456.507 -0.387 50 20 JBGD Cc1cccc(/C=C/C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)n1 1835925938 BIDPRRVGQBQBHQ-HBRDYDSTSA-N 465.315 -0.147 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)c3cnc4ccccc4n3)C2)C1 1835937092 OABGKMGQPVYFIT-DEOSSOPVSA-N 476.298 -0.307 50 20 JBGD O=C(C[C@@H]1CNc2ccccc2O1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835938047 HCZQPLIVIWRIPQ-CJFMBICVSA-N 495.341 -0.300 50 20 JBGD CN(C)c1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)cc1 1835939371 OPWXVIKHJVXWCD-XMMPIXPASA-N 467.331 -0.184 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc3[nH]ccc3n1)CCO2 1836904099 QQANGMYGCWOJLS-QHCPKHFHSA-N 464.287 -0.374 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccncc3F)C2)C1 1837457488 DTMGISNRWQRULB-NRFANRHFSA-N 458.450 -0.397 50 20 JBGD Cc1ncc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)s1 1837459629 UCJHJXWLNWPJCA-FQEVSTJZSA-N 460.516 -0.166 50 20 JBGD CN(C)c1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)cn1 1838195808 RMZMFRVHXLJULM-HSZRJFAPSA-N 483.529 -0.470 50 20 JBGD Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)c(C)n1C 1838381487 HTTCSJKJZISTKH-HSZRJFAPSA-N 455.320 -0.294 50 20 JBGD C[C@@H](Br)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)N1CCN(C)CC1)CCO2 1839106066 JGKIXKIQSWSPJT-GPMSIDNRSA-N 461.401 -0.138 50 20 JBGD C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1839176495 RVQYMNUTMFTCRR-OAQYLSRUSA-N 454.524 -0.675 50 20 JBGD C[C@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3ccncc3=O)CCO2)C1 1839662602 VTJIXQKZBHMUFW-RDTXWAMCSA-N 457.325 -0.269 50 20 JBGD C[C@H](Oc1ccccc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1839950557 UIUFJCOTUCHTKE-UUOWRZLLSA-N 468.315 -0.096 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCN3C(=O)OC(C)(C)C)C2)C1 1840182588 NYMUEVRKWIBRLY-HXOBKFHXSA-N 497.593 -0.175 50 20 JBGD O=C(c1n[nH]c2c1CS(=O)(=O)C2)N1CCOC[C@@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1840188148 QWYOKGDUXYGXNB-MRXNPFEDSA-N 467.331 -0.288 50 20 JBGD O=C(CCCn1ccnc1)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1840382481 GUXZUAKGNJCZTH-QFIPXVFZSA-N 456.308 -0.887 50 20 JBGD Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CC3(CCCN3C(=O)c3cccc(B(O)O)c3)C2)cc1 1843012911 RRCSWGSXAWOJCC-KRWDZBQOSA-N 485.371 -0.141 50 20 JBGD CCn1c(=O)c2ccccc2n(CC(=O)NNC(=O)c2csc(N3CCOCC3)n2)c1=O 21967705 PSYNTTDENURKIV-UHFFFAOYSA-N 458.500 -0.063 50 20 JBGD Cc1cc(NC(=O)CN2CCN(C(=O)NNC(=O)C3CCN(c4ncccn4)CC3)CC2)no1 728960185 VUBLEMXCXXMDST-UHFFFAOYSA-N 471.522 -0.013 50 20 JBGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 1317819685 DPMMFNJELQTHNY-QWHCGFSZSA-N 471.561 -0.915 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)[C@H]3CN(Cc4ccccc4)CCO3)C2)C1 1778274727 GJBPXOQGFYYPFF-BVAGGSTKSA-N 493.369 -0.289 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccn3c(O)nnc13)C2 1779373107 AVTZRTXMSWRMQZ-UZUQRXQVSA-N 494.512 -0.125 50 20 JBGD C[C@@H](NC=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN(C)NC(=O)NCc1ccccc1)C2 1780725046 IMTYJOZAXWJTDV-DRMXPCRNSA-N 488.589 -0.019 50 20 JBGD CN(CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CCC(=O)N1)CCO2)NC(=O)NCc1ccccc1 1780969966 PLOFOXBFSSSLMJ-MBSDFSHPSA-N 472.546 -0.559 50 20 JBGD CN[C@@H](CC(=O)N1CCO[C@@]2(CCN(C(=O)CN(C)NC(=O)NCc3ccccc3)C2)C1)C(=O)O 1780970525 XAWMYJDNWUIZLP-FDDCHVKYSA-N 490.561 -0.775 50 20 JBGD COCCOCCOCCOCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](O)CCl)C2 1782069268 KFNLMAVIJVXCIC-WAOWUJCRSA-N 480.986 -0.204 50 20 JBGD C[C@H](NC(=O)c1ccccn1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1 1788609819 LXHFFGXANCYYGN-OFVDUGFESA-N 495.540 -0.508 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1ccc(N2CCOCC2)cn1 1794440688 KLUHTGJWMAAECQ-OPMZPASUSA-N 480.330 -0.885 50 20 JBGD CC(=O)c1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C(C)=N/NC(=O)c2ccc[nH]2)n[nH]1 1796440929 FFDPGRLJPPTCKW-FAMUFBACSA-N 455.475 -0.051 50 20 JBGD CN1CCN(CCC(=O)N2CC[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)CC1 1807365269 UEVHVHFYWVEJSZ-XUZZJYLKSA-N 479.390 -0.282 50 20 JBGD C[C@H](C(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)[C@H]1SC(=N)NC1=O 1807375109 LRSWVIWPJJOBRR-KRDRHDLTSA-N 495.370 -0.117 50 20 JBGD CC(C)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4n(n3)CCNC4=O)C2)C1 1830358894 FZVLOWDMWAMRMH-FQEVSTJZSA-N 453.927 -0.039 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCC(N2CCC(NC(=O)CCN3CCOCC3)CC2)CC1 1834638196 ZEUFYWSBOFGNSZ-UHFFFAOYSA-N 466.627 -0.347 50 20 JBGD CCCC(=O)N[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834798365 MHCVDJMGDONLFP-QGZVFWFLSA-N 472.395 -0.144 50 20 JBGD O=C1C[C@H](C(=O)N2CCC(N3CCC(NC(=O)c4ccc(B(O)O)cc4)CC3)CC2)CCN1 1834798846 FBTHFKGTDDYWJP-QGZVFWFLSA-N 456.352 -0.922 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)C3(c4ccc(O)cc4)CC3)C2)C1 1835926160 HQSJCCRUGRDOHV-XMMPIXPASA-N 480.326 -0.126 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)c3cccc4c[nH]nc34)C2)C1 1835928617 SNSOBLTXFDVEPH-QHCPKHFHSA-N 464.287 -0.374 50 20 JBGD O=C1CCc2ccc(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)c3ccc(B(O)O)cc3)CCO4)cc2N1 1835932019 KUUYKULXXHNOHL-RUZDIDTESA-N 493.325 -0.365 50 20 JBGD Cn1cnc(C(=O)N2CCC(OC3CCN(C(=O)c4cnccc4C(=O)NN)CC3)CC2)n1 1837382150 UCFFUPIBMCNHOY-UHFFFAOYSA-N 456.507 -0.260 50 20 JBGD C[C@@](Cl)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4n(n3)CCNC4=O)C2)C1 1839151355 PCSZNIKUAQFJFH-RTBURBONSA-N 474.345 -0.067 50 20 JBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=O)c3cccnc3)C2)C1 1840150571 NUBSRMWXFWEZFH-JXFKEZNVSA-N 454.911 -0.478 50 20 JBGD CC(=O)Nc1cccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)n1 1840183398 CCYJRYSMNFHUGF-JOCHJYFZSA-N 476.534 -0.517 50 20 JBGD CCN(CC)C[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840185032 JXDKRHWWLWKADE-AVRDEDQJSA-N 455.600 -0.206 50 20 JBGD CN(C)C(=O)c1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)c1 1840788326 GTBWONGUAFWKTH-VWLOTQADSA-N 495.341 -0.548 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC2(CCCN2C(=O)CS(=O)(=O)N2CCCC2)C1 1843413630 ONAQUOAGZMWFDK-PXLXIMEGSA-N 464.548 -0.251 50 20 JBGD O=C(COC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)NNC(=O)c1ccc(Cl)cc1 753654241 HIEDRRGHZWNFMV-CYBMUJFWSA-N 470.891 -0.190 50 20 JBGD O=C(CN1C(=O)COc2cc(Br)ccc21)NNC(=O)N[C@H]1CCS(=O)(=O)C1 919884919 IKHPVKNDWNJYAQ-JTQLQIEISA-N 461.294 -0.308 50 20 JBGD O=C(Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 919885609 NCEBFBQSXASEGJ-OAHLLOKOSA-N 458.562 -0.079 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)c3ccc4nc(CO)[nH]c4c3)CCO2)C1 1779030187 IJHGKMSSOFCTEV-QHCPKHFHSA-N 479.497 -0.189 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(C1)CN(C(=O)c1nccc3nc[nH]c13)CCO2 1779030663 SQAMHGIRLCXMFT-OAQYLSRUSA-N 450.459 -0.286 50 20 JBGD C[C@H](NC(=O)c1cnccn1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](O)CCl)C2 1779470756 CGTDLFJJVIOSQT-NOUYOMCBSA-N 453.927 -0.292 50 20 JBGD O=C(c1ccc(-n2c(O)nnc2O)cc1)N1CC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1780197606 QHBIQHZUEHPVPN-AUUYWEPGSA-N 451.867 -0.278 50 20 JBGD O=C(CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2)Nc1ccc(F)cc1 1780875827 CYQJEDCADHVZAW-HSZRJFAPSA-N 469.278 -0.022 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)c3cccc(N4CCOCC4)c3)C2)C1 1781736050 YXQIGARKWXYMEQ-VWLOTQADSA-N 479.342 -0.040 50 20 JBGD COC[C@@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(=O)n3[nH]cnc3n1)C2 1782170735 VMEDGUVZLRMDEJ-BBEGDGIKSA-N 452.899 -0.201 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1COCCN1C(=O)OC(C)(C)C)CCO2 1783933011 AHXQAPGSWSDFKQ-HXOBKFHXSA-N 497.593 -0.175 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1ccncc1=O)C2 1793879196 MEYTXRXIIZKMHE-KRXQYRFLSA-N 483.953 -0.035 50 20 JBGD C[C@H](NC(=O)c1ccccc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797756376 GJBSXNMFLWKOBF-REGYPHIPSA-N 480.525 -0.293 50 20 JBGD O=C(NC[C@@H]1CCN(C(=O)Cn2ccncc2=O)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807373131 NFFMIVCUDBVWLI-AVRDEDQJSA-N 461.287 -0.662 50 20 JBGD CN1CCN(CCC(=O)N[C@@H]2CCc3nc(NC(=O)c4cccc(B(O)O)c4)sc3C2)CC1 1815354874 WEMZKJVKNOQDGH-QGZVFWFLSA-N 471.392 -0.314 50 20 JBGD Cc1cc(C)n(CC(=O)N2CCO[C@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)n1 1833040627 FPCSBOORECHLLE-NRFANRHFSA-N 450.540 -0.671 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)c1cncn1-c1ccncc1)CCO2 1833653655 WCBVHGBJCMLQKY-XMMPIXPASA-N 491.313 -0.669 50 20 JBGD CN(C)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1833662973 KMWWFOHDLKOLPE-QHCPKHFHSA-N 483.529 -0.470 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(CN(C(=O)c3ccccc3O)CCO2)C1 1833755579 WCUNMDHMPPCLBB-JOCHJYFZSA-N 455.471 -0.226 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC1CCN(C2CCN(C(=O)CNC(=O)N(C)C)CC2)CC1 1835116360 JXXFRGQPNAAIGU-JVWAILMASA-N 488.593 -0.037 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c(C4CC4)c3F)C2)C1 1835929181 FMEDRTJDGWTCKR-JOCHJYFZSA-N 472.282 -0.510 50 20 JBGD C[C@H](Oc1cccnc1)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835939703 FFVMKRLHCJNXTR-SBUREZEXSA-N 469.303 -0.701 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnc(C(F)(F)F)cn1)CCO2 1836377718 KLTHKGJRKAKIKZ-IBGZPJMESA-N 488.467 -0.062 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(CN(C(=O)/C=C\C(=O)NC3CC3)CCO2)C1 1837250996 WEGXZOMGFDXCSR-INICBZELSA-N 486.529 -0.588 50 20 JBGD COc1ccnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)c1 1837955546 UZQODZAOCBMIMB-JOCHJYFZSA-N 470.486 -0.528 50 20 JBGD O=C(c1ccc([N+](=O)[O-])c2c1OCO2)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1838626135 IYSULNOQHAMZMT-AUUYWEPGSA-N 471.850 -0.007 50 20 JBGD C[C@H](Br)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)N1CCN(C)CC1)CCO2 1839104741 JGKIXKIQSWSPJT-BXWFABGCSA-N 461.401 -0.138 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2 1839434254 XGFWENMPSCHPKB-JOCHJYFZSA-N 490.705 -0.185 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccn3nccc13)CCO2 1839540519 HRXWQTYIMLZKFY-JOCHJYFZSA-N 458.519 -0.223 50 20 JBGD COC(=O)[C@@H]1CC=CC[C@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1840141702 OURGINZLVTZTKC-REHUZNOOSA-N 486.330 -0.808 50 20 JBGD O=C(Cn1c(=O)ccn(Cc2ccccc2)c1=O)NNC(=O)c1csc(N2CCOCC2)n1 24291649 HOIXEESZWFZXLF-UHFFFAOYSA-N 470.511 -0.187 50 20 JBGD Cn1[nH]c(Br)c2c(=NCCNC(=O)NNC(=O)CNC(=O)c3ccco3)ncnc1-2 729625658 ZCYNPBUDTDNJNI-UHFFFAOYSA-N 480.283 -0.735 50 20 JBGD Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NNC(=O)N[C@H]3CCS(=O)(=O)C3)C2)cc1 915880268 DEYORZJDUDCNLI-CABCVRRESA-N 458.562 -0.087 50 20 JBGD CCNC(=O)N[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)CCO2)C1 1778953451 HPXGTCUXPHBNQN-JUVJKPPISA-N 461.523 -0.342 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)Cn3cncn3)C2)C1 1779215260 BJLVEMNVCRGDOV-WMPYJZPNSA-N 456.507 -0.122 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc3n(n1)CCNC3=O)C2 1779371185 OTILPLXEAZIOCE-WZONZLPQSA-N 496.528 -0.934 50 20 JBGD C[C@@H]1Oc2ccc(C(=O)N3CC[C@]4(CN(C(=O)c5cccc(B(O)O)c5)CCO4)C3)cc2NC1=O 1780176135 IHPYSXQGMGKIEU-IZHWHUGBSA-N 479.298 -0.157 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3[C@@H](O)CCN3Cc3ccccc3)C2)C1 1782812566 YGRUIOFOLHFPBP-GRYUFTJMSA-N 487.601 -0.175 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](O)Cc3ccccc3)C2)C1 1783341616 JAYDNAGONVEYFM-XXBNENTESA-N 453.499 -0.268 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCN3CCOCC3)C[C@@H]21 1787509012 WQIWKPXCTSTHHL-RWRPXTCXSA-N 474.562 -0.178 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@@H]3CCCCO3)[C@H]2C1 1788661482 UPAGQYKKJQVWJP-MQBISMTMSA-N 453.540 -0.132 50 20 JBGD O=C1CC(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)=Cc2ccccc2N1 1795735196 OFGNMLYDGFHOBL-BBIADKPPSA-N 475.310 -0.005 50 20 JBGD CC(=O)N[C@@H](Cc1cccc(F)c1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795741349 VNEOQJXTUDUETL-YDLSIGKMSA-N 497.332 -0.544 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@H]1CCN(C(=O)CN(CCO)CCO)[C@@H]1c1cccnc1 1808417351 XFAAOSFEIVJRIJ-ZFUWBFJQSA-N 499.572 -0.492 50 20 JBGD C[C@](O)(CC(=O)O)CC(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1813065708 PLDHESGKZLIMNH-JWNTYJGQSA-N 469.303 -0.303 50 20 JBGD CN(CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cnccc2C(=O)NN)[nH]n1)C(=O)C(=O)O 1821715642 OQZZRRKLFVMVAJ-AWEZNQCLSA-N 472.462 -0.743 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(F)nc1F)CCO2 1829533555 NBNOFYLPHBIYAI-FQEVSTJZSA-N 455.462 -0.197 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCN1C(=O)OC(C)(C)C)CCO2 1832049483 DUMOYICLDFUOSC-SBUREZEXSA-N 497.593 -0.175 50 20 JBGD COc1nn(C)cc1C(=O)N1CCO[C@]2(COCCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C2)C1 1833863150 NHWSOYFWAUVXLY-NMWDDECMSA-N 487.517 -0.367 50 20 JBGD CN(C)c1ncc(C(=O)NC2CCN(C3CCN(C(=O)c4cccc(B(O)O)c4)CC3)CC2)o1 1834095357 HAIOTZZZFGASON-UHFFFAOYSA-N 469.351 -0.081 50 20 JBGD CC(C)N[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1)C(C)C 1835901886 XTVZSLGNMBHTCG-IRLDBZIGSA-N 455.600 -0.162 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CC(=O)N(C4CCCC4)C3)C2)C1 1835927059 CFSQSJOVDUWWNA-UQBPGWFLSA-N 499.373 -0.773 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)c3cnc4ccccn34)C2)C1 1835930243 FGJCVDOIFKKHNB-HSZRJFAPSA-N 464.287 -0.602 50 20 JBGD C[C@H]1CCc2c(C(=O)N3CCOC[C@@]4(CN(C(=O)c5ccc(B(O)O)cc5)CCO4)C3)n[nH]c21 1835930572 NMCXKKNPUJIHGD-NPMXOYFQSA-N 468.319 -0.477 50 20 JBGD COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)c(C#N)c1 1835939348 NGOBLJHVLGBQJL-RUZDIDTESA-N 493.325 -0.441 50 20 JBGD COc1ccc(F)cc1CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835939761 GQVHZATYSAZFES-DEOSSOPVSA-N 486.305 -0.173 50 20 JBGD Cc1cc(C(N)=O)cc(C)c1C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1837437752 LRPLQTNEEFPPGG-DEOSSOPVSA-N 489.573 -0.155 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3Cc4ccccc4CN3)C2)C1 1837457807 RYLUEVVZEHBODG-BWKNWUBXSA-N 494.552 -0.530 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccn4cncc34)C2)C1 1837459982 XNRNQULDOJBSQT-QHCPKHFHSA-N 479.497 -0.283 50 20 JBGD CC[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1839964366 PLURQOSUSGIAIM-LPHOPBHVSA-N 469.141 -0.390 50 20 JBGD Cc1cc(C(=O)NCC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)Br)CCO3)no1 1840033550 ISNYUKXFKDGDOO-UGSOOPFHSA-N 473.324 -0.047 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cn(C)nc3C(F)(F)F)C2)C1 1840185900 VLQVLLLEMQGNLO-LJQANCHMSA-N 490.483 -0.118 50 20 JBGD CC(C)(C)OC(=O)N1C(=O)CC[C@@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1840290158 YZRNMCIRNUXWHW-PZPWOCDFSA-N 489.953 -0.031 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(CN(C(=O)CCn3ccnn3)CCO2)C1 1840446611 FYFUPTNRKUJVCR-KCOUNZPASA-N 472.506 -0.741 50 20 JBGD CCS(=O)(=O)N[C@H](C)C(=O)N1CC2(CCCN2C(=O)/C(C)=N/NC(=O)c2ccc[nH]2)C1 1843415331 MLKAHDWDYPAXLT-CNRHGSOZSA-N 452.537 -0.348 50 20 JBGD CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)N1CCCC12CN(C(=O)c1cnccc1C(=O)NN)C2 1845230559 NMRMJVCOGSBFAB-AWEZNQCLSA-N 476.534 -0.222 50 20 JBGD O=C(COC(=O)CCNS(=O)(=O)c1cccnc1)NNC(=O)[C@H]1COc2ccccc2O1 728322546 JFWKYAOGKQEDTP-MRXNPFEDSA-N 464.456 -0.719 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1CC(c3ccccc3)=NN1)CCO2 1779037014 MBYSJEDABPIGFM-GBXCKJPGSA-N 477.525 -0.105 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCc2nc(N)n[nH]2)C1 1779241575 XYWJCWUTCYDXOE-AMALEDKHSA-N 485.549 -0.033 50 20 JBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2)C(=O)Nc1cccnc1 1779487057 SOWIRDLUDGDMAU-AUSIDOKSSA-N 466.303 -0.472 50 20 JBGD COc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cnccc4C(=O)NN)C[C@@H]32)n(C)n1 1785614814 HLKWDQROLQVXHK-NUTKFTJISA-N 457.491 -0.666 50 20 JBGD NC(=O)c1ccccc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786981770 KMWCLFSVEFKBDU-YSSFQJQWSA-N 451.288 -0.628 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)[C@@H]1Cc2ccccc2O1 1788182787 LMICBAKWZYNOMA-UDDWMFPDSA-N 450.300 -0.037 50 20 JBGD CC(=O)c1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cnccc4C(=O)NN)[C@H]3C2)n[nH]1 1788611504 GUMNHPZLYSHYLM-QITLCBANSA-N 455.475 -0.482 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)CCc2nc(N)n[nH]2)[C@H]1c1cccnc1 1810158473 UDKKPSMADAVEFY-FOIQADDNSA-N 457.539 -0.207 50 20 JBGD COC(=O)NCC(=O)NC[C@@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1813266433 FDWXTGGZIZKWCP-KSSFIOAISA-N 455.475 -0.244 50 20 JBGD O=C([C@H](O)CCl)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CC(=O)N(C4CCCC4)C3)C2)C1 1830726861 UTQOQOMNWQOZDY-QLVMHMETSA-N 457.955 -0.166 50 20 JBGD O=C(CCBr)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCCS3(=O)=O)C2)C1 1834825512 ZIASLQLLSFHDMY-XJKSGUPXSA-N 453.355 -0.195 50 20 JBGD COc1ccc([C@@H](O)C(=O)N2CCOC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)cc1 1835933708 ANLMYBYYSOYFKN-QPPBQGQZSA-N 484.314 -0.821 50 20 JBGD Cc1ccn2c(C(=O)N3CCOC[C@]4(CN(C(=O)c5cccc(B(O)O)c5)CCO4)C3)cnc2c1 1835939539 RXOAAIMJABXDGS-DEOSSOPVSA-N 478.314 -0.294 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cn3cccnc3n1)CCO2 1836896521 WXWKQSPDRZFTIZ-NRFANRHFSA-N 459.507 -0.828 50 20 JBGD CCNC(=S)NCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839202797 PZYWCNKMJLCLSK-SWLSCSKDSA-N 455.350 -0.383 50 20 JBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4n(n3)CCCNC4=O)C2)C1 1840153500 PVSIVDRMSAIREP-XOBRGWDASA-N 469.926 -0.660 50 20 JBGD Cc1nn(C)c(C)c1CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1840436738 WKPDRNXVCXQQNA-HSZRJFAPSA-N 485.545 -0.652 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(C(N)=O)cc3)CCO2)C1 1840647877 MKHHTJHLAOQQRF-QHCPKHFHSA-N 482.497 -0.832 50 20 JBGD CC(C)(C)OC(=O)N1CC2(CC(C(=O)N3CC4(CCCN4C(=O)c4ccc(B(O)O)cc4)C3)=NO2)C1 1843012366 ILEWSTDTUFUTTR-UHFFFAOYSA-N 498.345 -0.051 50 20 JBGD CC(C)n1nc(C(=O)NNC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)c2ccccc2c1=O 15945610 IUWOTWFNTXTZQY-UHFFFAOYSA-N 466.458 -0.814 50 20 JBGD C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc2)C[C@@H](C)O1 729276626 JIROSIAJKIUWLD-FRRDWIJNSA-N 462.550 -0.817 50 20 JBGD C=CCN1C(=O)C(=O)N(CC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)C1=O 748557517 MCMBCVCMZKCPAE-UHFFFAOYSA-N 463.472 -0.791 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(C1)CN(C(=O)C(F)(F)C(F)(F)C(=O)O)CCO2 1779028356 JOOYBDAHKCBSRQ-MRXNPFEDSA-N 477.371 -0.516 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)CCO2 1783933407 XYLQDEMOHOTHEE-OPAMFIHVSA-N 485.582 -0.535 50 20 JBGD CC[C@@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN(CCO)CCO)C[C@@H]21 1790964354 NDMXVMFQEXSBJW-JONQDZQNSA-N 450.374 -0.574 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)N1CCOCC1)C2 1793880174 SGUXMKNUADCBSA-IWSXDTNSSA-N 490.985 -0.641 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nn[nH]c1C(F)(F)F)C2)c1cccc(B(O)O)c1 1795740193 CNCXWJAZKMSAQI-PTEHBNRSSA-N 453.186 -0.980 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H](O)CN1 1799139004 BKPLAQOMLHHWQR-KARBZBNUSA-N 460.959 -0.569 50 20 JBGD COCCOCCOCCOCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](Cl)COC 1800977123 JOJASVHPKZJOCD-AJYBTWMASA-N 480.986 -0.084 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)c2cc3n(n2)CCNC3=O)[C@@H]1c1cccnc1 1813070351 GSSXASKZCHROOB-HRAATJIYSA-N 482.545 -0.286 50 20 JBGD NC(=O)NCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@@H](O)CCl)C2)C1 1829471557 LRXYWWNWDNNWRZ-HRAATJIYSA-N 481.937 -0.294 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)c1ccco1)CCO2 1829823955 KPZWEIJFNFYUGW-LAUBAEHRSA-N 459.459 -0.918 50 20 JBGD CC(=O)Nc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)n1 1833335667 VHNCBYSSBZVYQN-QHCPKHFHSA-N 482.302 -0.896 50 20 JBGD Cc1cc(C(=O)N2CCC(N3CCC(NC(=O)c4cccc(B(O)O)c4)CC3)CC2)nn1C 1834801272 XNLFIRWBSBFSDR-UHFFFAOYSA-N 453.352 -0.093 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(CN(C(=O)CCBr)CCO2)C1 1834823042 GATZDCNZJZRLEK-SFHVURJKSA-N 470.324 -0.460 50 20 JBGD O=C(COc1ccccc1)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835935319 ARJDJZMDRDGULI-QHCPKHFHSA-N 454.288 -0.485 50 20 JBGD O=C(c1ccc2nonc2c1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835936819 FKTZTULITCMIPB-JOCHJYFZSA-N 466.259 -0.714 50 20 JBGD CC(=O)N1CCN(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)CBr)C3)C2)CC1 1836764648 QCLUMCMIFYHBRN-OXQOHEQNSA-N 489.411 -0.362 50 20 JBGD CCOC(CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnccc1C(=O)NN)CCO2)OCC 1837460377 FAOQKVAFVVHFIT-JOCHJYFZSA-N 479.534 -0.456 50 20 JBGD Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)n(C(F)F)n1 1838713348 PGDDUYPFMLQHSV-OAQYLSRUSA-N 493.471 -0.031 50 20 JBGD O=C(CC12CCCN1CCC2)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1839117488 PRHMBTAYVHLRHE-DEOSSOPVSA-N 471.363 -0.545 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(O)c([N+](=O)[O-])c1)CCO2 1839275116 KPAXLLTZEMTJHC-OAQYLSRUSA-N 479.490 -0.257 50 20 JBGD C[C@@](O)(CC(=O)O)CC(=O)N1CCO[C@@]2(COCCN(C(=O)CCBr)C2)C1 1840178667 OOQRQKZDUJZOLI-DLBZAZTESA-N 451.314 -0.156 50 20 JBGD CC(C)(C)OC(=O)N[C@H](C(=O)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1)C(C)(C)O 1843013000 YASAGGJDSBDFOR-QGZVFWFLSA-N 475.351 -0.152 50 20 JBGD COCCn1cnc2c1c(=O)n(CC(=O)NNC(=O)c1ccc[n+]([O-])c1)c(=O)n2Cc1ccccc1 798372793 QGNMRNHNLJSNAP-UHFFFAOYSA-N 493.480 -0.851 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C[C@@H]1NC(=O)NC1=O)C2 1778091455 GAICOAVEHVHDJK-DMSHTPKESA-N 487.517 -0.768 50 20 JBGD CN[C@@H](CC(=O)N1CCO[C@]2(CCN(C(=O)CN(C)NC(=O)NCc3ccccc3)C2)C1)C(=O)O 1780970534 XAWMYJDNWUIZLP-MBSDFSHPSA-N 490.561 -0.775 50 20 JBGD C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)n1ccccc1=O 1788748341 QPBJDJRLGSDZQX-LQJIQPLVSA-N 453.304 -0.617 50 20 JBGD Cn1ncc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cnccc4C(=O)NN)C[C@@H]32)c1Cl 1789083082 YEAWFFSNVKPMGQ-UVBJJODRSA-N 461.910 -0.021 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc4c(c3)CNC4=O)C[C@@H]21 1791291552 YOWVNSNGMIXAHK-SNRMKQJTSA-N 457.531 -0.104 50 20 JBGD C[C@@H](CNC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1792985204 FHCWZOHLDUJLCZ-RMRDIRSESA-N 475.351 -0.270 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1ccccc1=O)C2 1796440590 SYNZZXWENWZTSD-OYSOCFBGSA-N 454.487 -0.428 50 20 JBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2nc(CO)[nH]c2c1 1796872294 WVSCZAAFWSLFIP-USGNIVHTSA-N 458.519 -0.369 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cn2[nH]cnc(=O)c2c1C 1798464992 KGZQDLMOXLQBJU-WDJDXOCGSA-N 494.512 -0.332 50 20 JBGD C[C@H](CS(C)(=O)=O)C(=O)N1CCCC2(CCN(C(=O)c3ccc(B(O)O)cc3)CC2)C1 1806043849 RQIAHBFOORXQQG-MRXNPFEDSA-N 450.366 -0.108 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H](CNC(=O)CN(C)C(=O)C(=O)O)[C@H]1c1cccnc1 1812389751 LVUSWYAARTXOKX-RUVVGEKZSA-N 497.512 -0.236 50 20 JBGD C[C@H](Cn1cncn1)C(=O)N[C@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815344388 XACMCZPLBMXUBS-DOMZBBRYSA-N 454.321 -0.024 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCC([C@H]2CCCCN2C(=O)[C@@H](O)N2CCOCC2)CC1 1828965522 FJPPTKLBMWEISV-IFMALSPDSA-N 459.352 -0.750 50 20 JBGD CC(=O)NCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](CCl)NC(=O)OC(C)(C)C)CCO2 1832552263 ZRYZKRGFGNPELC-MGPUTAFESA-N 476.958 -0.289 50 20 JBGD COc1cccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)n1 1832764198 FFCOORCTQPEUOY-QHCPKHFHSA-N 469.303 -0.917 50 20 JBGD O=C(Cc1ccccc1F)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1835002768 GRGNMZROCDHTDF-HSZRJFAPSA-N 456.279 -0.182 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1)c1cnn2ccncc12 1835404250 FXVXIQCVVXQZDM-UHFFFAOYSA-N 476.346 -0.092 50 20 JBGD NC[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1)c1ccccc1 1835812080 PCIZDSIUWFFOQA-QPPBQGQZSA-N 467.331 -0.821 50 20 JBGD COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835933907 INZWPXWCEBBDKA-DCLXLUIPSA-N 486.330 -0.808 50 20 JBGD O=C(CSc1ncccn1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835935820 TUECPUWVOPOYBO-OAQYLSRUSA-N 472.332 -0.981 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc4ccc(F)cn4n3)C2)C1 1837460145 WGNOLKSENIPPJG-QFIPXVFZSA-N 498.475 -0.749 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1nc(O)n3c1CCCC3)CCO2 1837757326 RKQVGPFNEOPPMC-QHCPKHFHSA-N 499.528 -0.693 50 20 JBGD CC(=O)N/C(C)=C/C(=O)N1CCO[C@]2(COCCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C2)C1 1839647115 ZKBKDBPOEVDEHJ-SFBXWYMSSA-N 474.518 -0.383 50 20 JBGD CCN1CCC(C(=O)N2CCO[C@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)CC1 1840929978 TVZCPENCLQRNFN-QFIPXVFZSA-N 453.584 -0.452 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc(=O)nc3sccn13)CCO2 1779032679 QVBSHNAIEWIFFG-OAQYLSRUSA-N 483.510 -0.488 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnc4c(c3)NC(=O)CS4)C2)C1 1782425245 JXYHBKCMUZDLAZ-JOCHJYFZSA-N 497.537 -0.118 50 20 JBGD CS(=O)(=O)c1ccc(C(=O)N2CC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)cc1F 1785226173 XLTWOPUIJXLYIU-JOCHJYFZSA-N 490.318 -0.334 50 20 JBGD C[C@@H](Cn1cccn1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21 1785441049 WOSNBCAVVIRPIC-LNMJFAINSA-N 455.519 -0.189 50 20 JBGD CN1N=C(C(=O)N[C@H]2CCc3nc(NC(=O)c4ccc(B(O)O)cc4)sc3C2)CCC1=O 1815337707 WEKLPKNGCYVOTR-ZDUSSCGKSA-N 455.305 -0.343 50 20 JBGD O=C(N[C@H]1CCc2nc(NC(=O)c3cc(=O)nc4cccnn34)sc2C1)c1cccc(B(O)O)c1 1821265466 ZJQHZYFBNIKBIR-AWEZNQCLSA-N 490.310 -0.235 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)Cn2ccncc2=O)n[nH]1 1821657149 ZUKXDVKKDCAZEH-INIZCTEOSA-N 465.474 -0.029 50 20 JBGD CS(=O)(=O)CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cnccc2C(=O)NN)CC1 1826626098 BTHOWNXZTGBOOD-QGZVFWFLSA-N 451.549 -0.037 50 20 JBGD CC(=O)NCC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C2)C1 1831691797 JGWZDKXJOMRENT-VUEBRRCKSA-N 490.561 -0.261 50 20 JBGD C[C@](Cl)(CCl)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCS(=O)(=O)CC3)CCO2)C1 1832487198 BFEGIJKQEABSOQ-ROUUACIJSA-N 486.418 -0.591 50 20 JBGD O=C1Cc2cc(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)c3cccc(B(O)O)c3)CCO4)ccc2N1 1835937492 ZRKMXEDRESTGTQ-XMMPIXPASA-N 479.298 -0.755 50 20 JBGD CC(C)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(=O)n4[nH]nnc4n3)CCO2)C1 1836403317 DVDNEBSOOGJVHB-GOSISDBHSA-N 453.887 -0.852 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cn3cc(F)ccc3n1)CCO2 1836962328 QKDNLEXKSOARNW-QFIPXVFZSA-N 476.509 -0.084 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc3cnccc3[nH]1)CCO2 1837100976 BTBWWLCJTKMRKX-HSZRJFAPSA-N 464.287 -0.374 50 20 JBGD 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50 20 JBGD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830738536 QTMQJCKHGWXMNO-PIBOFXKISA-N 456.879 -0.127 50 20 JBGD C[C@](Cl)(CCl)C(=O)N1CCOC[C@]2(CN(C(=O)CCN3C(=O)C=CC3=O)CCO2)C1 1832026986 WFNBEWFYZAGCLE-OALUTQOASA-N 462.330 -0.006 50 20 JBGD O=C(CSc1ccncc1)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1832705521 CWOOJSZGNJFKIH-QFIPXVFZSA-N 471.344 -0.376 50 20 JBGD COCCOCC(=O)N1CCO[C@@]2(COCCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C2)C1 1835245276 QTTPBANAZDEXCU-UYSKRRQASA-N 465.507 -0.760 50 20 JBGD COC(=O)c1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)cc1 1835934433 SCLPKNGNWBTKBI-VWLOTQADSA-N 496.325 -0.534 50 20 JBGD CC(C)n1nccc1C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835938130 MYWTYXSFMRHEIK-QFIPXVFZSA-N 456.308 -0.472 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3cccnc3)CCO2)C1 1836180737 QHPINCHSWRQEMQ-HSZRJFAPSA-N 468.514 -0.217 50 20 JBGD Cc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)nn1C(F)F 1837460160 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MRMPERIVYDSQTM-NRFANRHFSA-N 458.450 -0.015 50 20 JBGD C[C@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2)N1C[C@H]2C[C@@H]2C1 1779246549 IBZGSECVKOYKNQ-KXWXAMNASA-N 455.364 -0.166 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)COC(=O)C(F)(F)F)C1 1779280858 QCOFWHUSQAOPJF-AUUYWEPGSA-N 487.435 -0.082 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc4c(c3)CCNCC4)C[C@@H]21)c1cccc(B(O)O)c1 1786985002 IJEVDZBDCIRKAB-HARLFGEKSA-N 478.358 -0.643 50 20 JBGD CC[C@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNCP(=O)(O)O)C[C@@H]21 1790962160 WQICYNRMTPOYQA-CYDGBPFRSA-N 456.274 -0.136 50 20 JBGD CCS(=O)(=O)N[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)CBr 1792868828 QUZIEYRSAOVYGN-XHJNMGKDSA-N 454.387 -0.065 50 20 JBGD C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795737133 VWHYGJHKGINBBV-NYCLONFESA-N 461.324 -0.517 50 20 JBGD CC(C)(C)OC(=O)N1CC[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)C1 1795739289 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728339369 LYJCCHRBCHZAMB-GFCCVEGCSA-N 471.394 -0.244 50 20 JBGD CC1(C)NC(=O)N(CC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)C1=O 912643185 HAAVHPCVZJNIPG-UHFFFAOYSA-N 451.505 -0.047 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@H](O)CN3)C2)C1 1781040452 PDFKFSURWYCVPH-KZDUYQQSSA-N 460.959 -0.329 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)c3cccc(N4CCOCC4)c3)C2)C1 1781734962 KFGBLRMIRHHCGE-VWLOTQADSA-N 479.342 -0.040 50 20 JBGD CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CC[C@@]2(CN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)CCO2)C1 1784371194 PRRBQQPGORKRQF-HRHVQBDQSA-N 498.544 -0.579 50 20 JBGD CN(C)c1cncc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)c1 1785552141 ASZBQEDDEBWOKV-NDXORKPFSA-N 452.320 -0.266 50 20 JBGD CC(=O)Nc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)cc1O 1790304023 LFCDXZNKHAOWFS-JLMWRMLUSA-N 481.314 -0.063 50 20 JBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCN1C(=O)c2ccccc2C1=O 1793862346 PGCXQZLCOFENNZ-MFKICJERSA-N 485.541 -0.365 50 20 JBGD COC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795734532 RSBJBKOWNWZJRV-NBMJBFSESA-N 491.350 -0.891 50 20 JBGD Cc1ccn2c(=O)c(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)c3cccc(B(O)O)c3)C4)cnc2c1 1797066725 JHXHBOWFTVDMDB-UPHUGPLXSA-N 476.298 -0.800 50 20 JBGD O=C(NC[C@H]1CCN(C(=O)Cn2ccncc2=O)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807365460 KBYTVYNWIMKSCU-XMSQKQJNSA-N 461.287 -0.662 50 20 JBGD CC[C@H](NC(N)=O)C(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807374698 HKGHMWCTFZTQBB-YTQUADARSA-N 453.308 -0.472 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@H]1CCN(C(=O)[C@@H]2CCC(=O)N2)[C@H]1c1cccnc1 1810299128 NPNYANORMGZTTD-LJHODMEESA-N 451.487 -0.322 50 20 JBGD O=C(CN1C(=O)CNC1=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827050309 MEMJAAOSWUNDTJ-SFHVURJKSA-N 456.308 -0.849 50 20 JBGD N=C(N)NCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@H](O)CCl)C2)C1 1828969815 QKFRTYAGPSGRCP-IIBYNOLFSA-N 480.953 -0.479 50 20 JBGD CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCC(N2CCC(NC(=O)[C@H](O)CCl)CC2)CC1 1833312969 NYNHXQYOGPALEY-RTBURBONSA-N 468.986 -0.372 50 20 JBGD O=C(Cc1cc(F)cc(F)c1)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835935342 BJIVETAQZYLNOV-QHCPKHFHSA-N 474.269 -0.043 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)c3ccc(Cl)cn3)C2)C1 1835938169 ODBXRTQTFILVHE-NRFANRHFSA-N 459.695 -0.201 50 20 JBGD COC(=O)CCCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835939619 BUMOXAHADZIZCT-HSZRJFAPSA-N 476.335 -0.440 50 20 JBGD Cc1cnc2c(C(=O)N3CCO[C@@]4(COCCN(C(=O)c5cccc(B(O)O)c5)C4)C3)cnn2c1 1836946809 DAPATLHHWITXFQ-HSZRJFAPSA-N 479.302 -0.899 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)Nc1cnccn1)CCO2 1837480445 QGQIFMXMPJBFIQ-APNBENOKSA-N 498.544 -0.133 50 20 JBGD Cc1nc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)sc1C 1838406853 DSEASBDIMAXUIY-NRFANRHFSA-N 459.333 -0.176 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)C1(Br)CC1)CCO2 1839207254 LQBPXXLOJCDLKT-GOSISDBHSA-N 467.125 -0.636 50 20 JBGD CCOC(=O)O[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1839685844 CUTLNLHSENKPPS-QRWLVFNGSA-N 458.512 -0.623 50 20 JBGD CC(C)(C)OC(=O)N1C[C@]2(C(=O)N3CCCC34CN(C(=O)c3ccc(B(O)O)cc3)C4)C[C@H]1CO2 1845078222 KPVDAUITUYQZNG-UUOWRZLLSA-N 485.346 -0.038 50 20 JBGD Cn1[nH]c(Br)c2c(=NCCNC(=O)NN[C@]3(C)CCS(=O)(=O)C3)ncnc1-2 729625282 QVPOEEPZYKWHEQ-CQSZACIVSA-N 461.346 -0.708 50 20 JBGD CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 732308315 WWWYSOSEUDLCNL-ZFWWWQNUSA-N 463.603 -0.023 50 20 JBGD Cc1c(/C=C(\C#N)C(=O)N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)cc(C#N)n1C 919986580 IVKDBKIMKWUCQP-WBNHJWIASA-N 465.557 -0.227 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)c3ccccc3C(=O)OCCO)C2)C1 1780159084 VLIWYTXYLVLLMD-DEOSSOPVSA-N 497.508 -0.409 50 20 JBGD COc1cc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)ccc1[N+](=O)[O-] 1781190905 BQZZXNWJCKHVKS-HSZRJFAPSA-N 483.286 -0.031 50 20 JBGD C[C@H](CBr)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CN(CCO)CCO)C1 1781836247 UFQMOTMLGHBZHA-GPMSIDNRSA-N 464.401 -0.182 50 20 JBGD O=C(CNC(=O)c1cccs1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1785332981 ISEVYDWJVHAAPN-SZMVWBNQSA-N 471.344 -0.549 50 20 JBGD COC(=O)[C@H]1CC[C@@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)C1 1786983298 LUZCGWNFZKRHTR-ORZNMBHWSA-N 458.320 -0.451 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CC[C@@H]4CCC(=O)N4C3)[C@H]2C1 1789769524 NWNUAWXKSPEHGA-VKSPVCMPSA-N 484.557 -0.321 50 20 JBGD C[C@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(=O)n3[nH]nnc3n1)C2 1792867837 MRHDZZOKHKOHSE-ORXSELOVSA-N 454.285 -0.953 50 20 JBGD CN(CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCC(=O)N1)NC(=O)NCc1ccccc1 1795288482 JMIADFISXVRQMA-NYUBLWNDSA-N 472.546 -0.799 50 20 JBGD Cc1cc(C(N)=O)cc(C)c1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795734545 RPWPVFPHLDALPG-RMFSNUHRSA-N 465.315 -0.401 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1Cc3[nH]nc(C(F)(F)F)c3C1)C2)c1cccc(B(O)O)c1 1795741285 RXAHKXQZGUYYBU-ZUMXRPEOSA-N 492.263 -0.274 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H](CNC(=O)C[C@@H]2NC(=O)NC2=O)[C@H]1c1cccnc1 1804342857 FCYDFFWIQVTGSK-JRWDBRFOSA-N 494.512 -0.181 50 20 JBGD O=C(NC[C@H]1CCN(C(=O)CSc2nc[nH]n2)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807363805 BSAZZCWCCWOSLC-VQIMIIECSA-N 466.332 -0.009 50 20 JBGD O=C(NC[C@@H]1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807369623 QLNCNSYQTSWUDT-LAUBAEHRSA-N 478.274 -0.114 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@H](CNC(=O)[C@@H]2C[C@H](O)CN2)[C@H]1c1cccnc1 1807694684 DKQGDJNPOJGKBC-STEAMIEHSA-N 453.503 -0.878 50 20 JBGD CC(=O)OC[C@H](OC(C)=O)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815356870 UVDNYIYJDJLNSV-WBVHZDCISA-N 489.315 -0.457 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1cccc([N+](=O)[O-])c1)CCO2 1829627479 ZGLLVUFUYXPGSE-QFIPXVFZSA-N 477.518 -0.033 50 20 JBGD CC(C)(C)OC(=O)N1CC(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)C1 1830730428 ACWNDJMTLQPDIN-FOIQADDNSA-N 461.943 -0.091 50 20 JBGD C=CCCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)c(O)n1 1833698296 DBYPGAGBKKVIQZ-RUZDIDTESA-N 495.341 -0.031 50 20 JBGD CC(C)N[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1)C(C)C 1835893735 CQCSXAUOXCNINL-NZQKXSOJSA-N 461.368 -0.541 50 20 JBGD Cc1cccn2ncc(C(=O)N3CCOC[C@]4(CN(C(=O)c5ccc(B(O)O)cc5)CCO4)C3)c12 1835932318 ZAGOHMRZWSSKED-DEOSSOPVSA-N 478.314 -0.294 50 20 JBGD CC(C)n1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)n1 1835937991 DMPLJLCNXVXXFZ-QFIPXVFZSA-N 456.308 -0.472 50 20 JBGD Cc1nn(C)c(C(=O)N2CCOC[C@]3(CN(C(=O)c4cnccc4C(=O)NN)CCO3)C2)c1F 1837457071 UTBWJLBCVSGIFP-NRFANRHFSA-N 475.481 -0.750 50 20 JBGD CN1CCN(C2(C(=O)N3CCOC[C@@]4(CN(C(=O)[C@@H](F)Br)CCO4)C3)CC2)CC1 1839201610 COEYYIPDOHDWRB-CRAIPNDOSA-N 477.375 -0.087 50 20 JBGD COC(=O)c1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)c(C)c1 1840786090 UWKLSSJRSVPHFD-VWLOTQADSA-N 496.325 -0.155 50 20 JBGD CN(CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](CCl)NC(=O)OC(C)(C)C)C(=O)C(=O)O 1848098448 BQEDEUIAFCKFEO-AVGNSLFASA-N 460.915 -0.137 50 20 JBGD Cn1c(=O)c2c(ncn2CCC(=O)OCC(=O)NNC(=O)c2ccc(Cl)cc2)n(C)c1=O 16161626 CXGCCZYYYQCWAL-UHFFFAOYSA-N 462.850 -0.518 50 20 JBGD Cn1ccnc1CNC(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 728752186 CVVXTMILPUBCMY-UHFFFAOYSA-N 450.521 -0.096 50 20 JBGD COc1cccc(C(=O)NNC(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c2ccccc2)c1O 919755639 MRJHXWNDQYUMMD-OAHLLOKOSA-N 485.540 -0.056 50 20 JBGD CNC(=S)NCCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)C2 1779383190 QNAMGMGKJVREOD-FOIQADDNSA-N 456.613 -0.643 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(O)c([N+](=O)[O-])c3)C[C@@H]21)c1ccc(B(O)O)cc1 1786981676 FEXMJJWZTTXPII-KNBMTAEXSA-N 469.259 -0.113 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccnc4c3OCO4)C[C@@H]21)c1cccc(B(O)O)c1 1786984727 BKEXALQNFLYYJE-WBAXXEDZSA-N 453.260 -0.603 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CC(=O)N(C3CCCC3)C1)C2)c1ccc(B(O)O)cc1 1795732924 QYKKUSSCVAZWFL-AYMMHLMVSA-N 469.347 -0.639 50 20 JBGD C[C@@H](NNc1ccccc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795736838 KOPUPMJUVHQLHZ-LAVAIGHBSA-N 452.320 -0.425 50 20 JBGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CSCN1C(=O)[C@@H]1CCC(=O)N1)C2 1800979536 OOBOWHPVTZFZNP-CXKHLATESA-N 488.994 -0.990 50 20 JBGD O=C(NC[C@@H]1CCN(C(=O)CN2CCOC2=O)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807359977 NVBUGPSCZJLAPH-FXAWDEMLSA-N 452.276 -0.467 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1CCN(C(=O)CN2C(=O)C=CC2=O)[C@H]1c1cccnc1 1810304180 ANAIDQIGGYTDJM-BTYIYWSLSA-N 477.481 -0.675 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCC([C@H]2CCCCN2C(=O)CN2CCS(=O)(=O)CC2)CC1 1824974005 BGJJFZKWMPEHGJ-OAQYLSRUSA-N 491.419 -0.670 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCC([C@H]2CCCCN2C(=O)[C@H](O)N2CCOCC2)CC1 1828967931 TYNXYLSZHXUKIM-IRLDBZIGSA-N 459.352 -0.750 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)c1cc(=O)c3ccccc3o1)CCO2 1830310436 UIVOTJYFEWXDPQ-VWLOTQADSA-N 492.293 -0.143 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)C1(c3ccc(O)cc3)CC1)CCO2 1830808496 FWCQGZLNEOWZDB-XMMPIXPASA-N 480.326 -0.126 50 20 JBGD CN1Cc2ccccc2C[C@@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1832468979 VAVDYHQPTIVHQI-BVAGGSTKSA-N 493.369 -0.507 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCC(N2CCC(NC(=O)c3cc(C(=O)O)ncn3)CC2)CC1 1833968964 IQDJQZFWULOVOH-UHFFFAOYSA-N 496.528 -0.328 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)c3c[nH]c4cnccc34)C2)C1 1835938526 XIZWIDIJDQMWPY-QHCPKHFHSA-N 464.287 -0.374 50 20 JBGD C[C@@H](CS(C)(=O)=O)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1836874153 MIMLFYPWVNHMRK-INIZCTEOSA-N 480.392 -0.341 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c(F)cncc3F)C2)C1 1837458817 DWWOZWNMPWYJSX-NRFANRHFSA-N 476.440 -0.258 50 20 JBGD CN1CCN(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](F)Br)CCO3)CC1 1839200925 PARSPWHJGNKUAS-WBVHZDCISA-N 451.337 -0.619 50 20 JBGD N#Cc1ccc(F)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)c1 1839420409 HTISKFHMHALODA-HSZRJFAPSA-N 467.262 -0.239 50 20 JBGD COC(=O)[C@@H]1CCC[C@H](C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)C1 1840145722 PAZKMGZINXYIIU-PDOGEWKWSA-N 488.346 -0.584 50 20 JBGD COc1cccc(CC(=O)N2CCOC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)n1 1840182300 FUVIBTOVYSKVRG-JOCHJYFZSA-N 463.535 -0.538 50 20 JBGD Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2cccc(B(O)O)c2)cc1 1847581433 ILFDSJMJQIETBZ-NDXORKPFSA-N 485.371 -0.143 50 20 JBGD Cc1nn(C)c(C)c1S(=O)(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 18994602 HXTHNUHXFNKSMW-UHFFFAOYSA-N 457.534 -0.319 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@@]2(CCN(C(=O)c3nc4ncccn4n3)C2)C1 1777829738 VWOXVWXJNLOUMK-PFRKPPGBSA-N 465.474 -0.298 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H]1COc3ccccc3O1)CCO2 1779029178 UQVKEYKUJXMGAP-AUSIDOKSSA-N 467.482 -0.031 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)c3[nH]cnc3-c3cccnc3)C2)C1 1780053044 YEABUCKBLNLXIM-QHCPKHFHSA-N 461.287 -0.091 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCn2cncn2)C1 1782449939 YWDONLQASWJOQM-DYESRHJHSA-N 456.507 -0.506 50 20 JBGD CS(=O)(=O)c1cccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)c1 1786978655 ILOPFKOQTLYVKA-YYWHXJBOSA-N 486.355 -0.323 50 20 JBGD COC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)NC(=O)c3cnccn3)[C@H]2C1 1788706154 PQXRSIIGGFXUNN-BWJWTDLKSA-N 453.927 -0.172 50 20 JBGD CN1CCN(C2(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]4C3)CC2)CC1 1791291116 ZZAGHKKDQUSGKU-FHWLQOOXSA-N 464.611 -0.881 50 20 JBGD N#Cc1ccccc1OCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797754334 RWSUMTYSBSQNKB-VPTLXERWSA-N 464.482 -0.161 50 20 JBGD CN(CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCS(C)(=O)=O)NC(=O)NCc1ccccc1 1801531511 RQIXGQGQYCAKAY-RMFSNUHRSA-N 495.602 -0.643 50 20 JBGD CCC(=O)N[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807363348 DESZPUXRNZCXPF-FQELHTAISA-N 452.320 -0.004 50 20 JBGD O=C(O)CSCC(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807373317 BHRHSMRLOROZQT-OXQOHEQNSA-N 457.317 -0.101 50 20 JBGD CCS(=O)(=O)N[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 1824460718 UGRXQVNKBAVIQP-JXFKEZNVSA-N 479.408 -0.073 50 20 JBGD CC(=O)N1CCN(CC(=O)N2CCOC[C@]3(CN(C(=O)CCBr)CCO3)C2)CC1 1834821275 DVSCHUKANIDDSK-IBGZPJMESA-N 475.384 -0.608 50 20 JBGD O=C(C[C@@H]1CNc2ccccc2O1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835930253 FUDVSMYUERXKPE-CJFMBICVSA-N 495.341 -0.300 50 20 JBGD O=C(c1ccn2cncc2c1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835930541 LXJMCCCQNPJUEU-QHCPKHFHSA-N 464.287 -0.602 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1837460285 ZNPHVLJKBBLUJH-GUYCJALGSA-N 474.287 -0.554 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)CCN3CCCC3)C2)C1 1837462871 USUSOYBFGDQUAI-QFIPXVFZSA-N 460.535 -0.759 50 20 JBGD O=C(CS[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1837506467 PDKOXIDLWXKIIF-IFMALSPDSA-N 478.376 -0.304 50 20 JBGD C[C@@H](C(=O)N1CCC(OC2CCN(C(=O)c3cnccc3C(=O)NN)CC2)CC1)n1cnnn1 1838395386 KYUJPPUSTHICKM-AWEZNQCLSA-N 471.522 -0.455 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)C(F)(F)c1ccco1)CCO2 1839689428 LAZWCICNMGVKKQ-HXUWFJFHSA-N 464.230 -0.179 50 20 JBGD COc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)ccc1F 1840681936 JMOANTMIJDVGDM-HSZRJFAPSA-N 472.278 -0.102 50 20 JBGD CN(CC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1CC(=O)C1)CCO2)NC(=O)NCc1ccccc1 1840833390 BVLAZLYAIOPARV-DEOSSOPVSA-N 487.557 -0.232 50 20 JBGD Cn1c(=O)c2c(CC(=O)N3CCCC34CN(C(=O)c3ccc(B(O)O)cc3)C4)csc2n(C)c1=O 1845014005 KHOJNIJLURWCCN-UHFFFAOYSA-N 496.354 -0.962 50 20 JBGD CC(C)(C)OC(=O)N[C@H](C(=O)N1CCCC12CN(C(=O)c1ccc(B(O)O)cc1)C2)C(C)(C)O 1847089847 PPAJYSXCKWCWJU-QGZVFWFLSA-N 475.351 -0.152 50 20 JBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1ccc(S(=O)(=O)NCc2cccs2)cc1 729276903 NWRDINPZXKVYNR-NSHDSACASA-N 460.559 -0.075 50 20 JBGD CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)NNC(=O)C(=O)NC2CC2)c1 744463611 OECLRRGMJDETJG-UHFFFAOYSA-N 467.548 -0.407 50 20 JBGD COCCn1cnc2c1c(=O)n(CC(=O)NNC(=O)Cn1cccn1)c(=O)n2Cc1ccccc1 842479528 PQSDWABOYNUJTM-UHFFFAOYSA-N 480.485 -0.902 50 20 JBGD CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)NNC(=O)CCN2C[C@@H](C)O[C@H](C)C2)cc1 912919874 RZXXLZVFTPMZDI-HUUCEWRRSA-N 470.548 -0.212 50 20 JBGD CNC(=O)CC(=O)N1CCO[C@]2(CCN(C(=O)CN(C)NC(=O)NCc3ccccc3)C2)C1 1780970183 UEWAXRLBVLXVCL-QFIPXVFZSA-N 460.535 -0.701 50 20 JBGD C[C@H](NC=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN(C)NC(=O)NCc3ccccc3)C[C@@H]21 1789881606 UKCLQECNIZFIEX-LEAZDLGRSA-N 474.562 -0.553 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](N)Cc1cccnc1)C2 1796440045 CJHPJYPTMNUAOR-DJRNXDKTSA-N 467.530 -0.325 50 20 JBGD COc1ccc([C@@H](O)C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)cc1 1830212961 CVCICDJMKJQIFX-QPPBQGQZSA-N 484.314 -0.821 50 20 JBGD CCS(=O)(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCBr)C2)C1 1831325488 URGGFYBCEFEIOK-CJNGLKHVSA-N 470.386 -0.444 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3ccc(C)n3)CCO2)C1 1833089465 SONKWPQLAOPXQU-PCCDRTMGSA-N 471.518 -0.218 50 20 JBGD O=C1CN(c2cccc(C(=O)N3CCO[C@]4(COCCN(C(=O)[C@H](O)CCl)C4)C3)n2)CCCN1 1833724018 CNGVCZOZZHETJU-VGOFRKELSA-N 495.964 -0.922 50 20 JBGD CC[C@H](NC(C)=O)C(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834797804 IIICILUQYFOBOU-NRFANRHFSA-N 458.368 -0.534 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1)c1cnn2ncccc12 1835038491 VWTUJDIKSHMEKR-UHFFFAOYSA-N 476.346 -0.092 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(CN(C(=O)CCN3CCCCC3)CCO2)C1 1835134840 MOIROZJLYTXOCH-QHCPKHFHSA-N 474.562 -0.369 50 20 JBGD CC(=O)N(C)[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3cnccc3C(=O)NN)CC2)CC1 1835736782 HMALULZCHRCUTL-HNNXBMFYSA-N 473.578 -0.263 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC1CCN(C2CCN(C(=O)Cn3ccccc3=O)CC2)CC1 1835736797 IIJFLCVEBRAWDG-UHFFFAOYSA-N 481.557 -0.268 50 20 JBGD COc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)cc1F 1835934420 ZGGQDZFRHMDNHU-QHCPKHFHSA-N 472.278 -0.102 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4ncccn4n3)C2)C1 1837459058 IHSLJLYLGNQILJ-QFIPXVFZSA-N 480.485 -0.888 50 20 JBGD CC(C)n1nccc1C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1838024938 XIDOHZYOTLHXAC-OAQYLSRUSA-N 450.540 -0.093 50 20 JBGD CCOC(=O)c1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)ccn1 1838719435 WBMNDZXAUFLVOP-OXJNMPFZSA-N 455.895 -0.072 50 20 JBGD CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1839227067 IXACWUZYOQVDGX-YCRPNKLZSA-N 462.507 -0.444 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc3nccn13)CCO2 1839553198 LWVWJXLMIOJIAX-QFIPXVFZSA-N 458.519 -0.223 50 20 JBGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)CS(=O)(=O)N3CCCC3)C2)C1 1840032913 NILVPUCNTUVHSM-WMLDXEAASA-N 482.397 -0.348 50 20 JBGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCCS3(=O)=O)C2)C1 1840035507 UMLROTYPVNZCBA-HEHGZKQESA-N 453.355 -0.197 50 20 JBGD COC(=O)NCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](CCl)NC(=O)OC(C)(C)C)C2)C1 1840318865 FMRUIKXKMBBDDW-XOBRGWDASA-N 492.957 -0.069 50 20 JBGD CN1CCN(CC(=O)N2CCCC23CN(C(=O)CN(C)NC(=O)NCc2ccccc2)C3)CC1 1843915208 AKZIBNWFOGLQBT-UHFFFAOYSA-N 471.606 -0.217 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)Cn2cccc([N+](=O)[O-])c2=O)C1 1845824634 MPMYZQUSKXXUAL-UHFFFAOYSA-N 455.431 -0.728 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCCC12CN(C(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)C2 1846385431 FQHVQRUKENZQTD-HNNXBMFYSA-N 455.556 -0.162 50 20 JBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NCCNS(=O)(=O)c3ccccc3)nc2)CC1 916295844 VWQLVBFSZHPLSU-UHFFFAOYSA-N 497.603 -0.378 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)c3cccc4c3OCCO4)C2)C1 1777834952 ZWRMFEZFAZUILG-HSZRJFAPSA-N 452.272 -0.105 50 20 JBGD O=C(COc1cc(Cl)ccn1)N1CC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1779229087 LYLYPTBKIJFYIG-OAQYLSRUSA-N 459.695 -0.063 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)c3nn[nH]c3C(F)(F)F)C2)C1 1780362629 OSLLGPIXEPUXRE-KRWDZBQOSA-N 468.396 -0.421 50 20 JBGD C[C@H](NC(=O)c1ccccn1)C(=O)N1CC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1782671463 APRICUKJFUPNBN-AOMKIAJQSA-N 460.535 -0.597 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1[C@@H](O)CCN1Cc1ccccc1)CCO2 1783936095 CZJXTHHYMHGGLA-OPHFCASCSA-N 487.601 -0.175 50 20 JBGD CC(=O)N[C@H](Cc1cccc(F)c1)C(=O)N1CC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1785453662 CPJJMOSSFJQGQA-RCZVLFRGSA-N 497.332 -0.304 50 20 JBGD CCNC(=S)NCC(=O)N1CC[C@H](CNC(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1813075212 XWFHRPBEVIGFMC-UZLBHIALSA-N 463.608 -0.056 50 20 JBGD CS(=O)(=O)CC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cnccc2C(=O)NN)CC1 1828925056 CNIUYQSOLKRUOI-QGZVFWFLSA-N 451.549 -0.037 50 20 JBGD CC(=O)N[C@H](Cc1cccc(F)c1)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](O)CCl)CCO2)C1 1830737123 AKDVYSOHNZVYEI-XQBPLPMBSA-N 485.940 -0.071 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ncc(Cl)cn1)CCO2 1833790161 KJESGCPIFUHOOV-IBGZPJMESA-N 454.915 -0.427 50 20 JBGD O=C(COCc1ccccc1)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1835367841 XFRZZEGPGMXKMF-XMMPIXPASA-N 468.315 -0.347 50 20 JBGD Cn1cnc(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)c1C(F)(F)F 1835928040 CFTWRMUCHJPZIQ-FQEVSTJZSA-N 496.251 -0.498 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc4ccc(F)cn4n3)C2)C1 1837460143 WGNOLKSENIPPJG-JOCHJYFZSA-N 498.475 -0.749 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(Cl)nn3)C2)C1 1840185299 JUCLBFCMWWKNRG-IBGZPJMESA-N 454.915 -0.427 50 20 JBGD O=C(NCCS(=O)(=O)N1CCSCC1)NNC(=O)c1csc(N2CCOCC2)n1 730577795 AHNWLLQONOMQME-UHFFFAOYSA-N 464.595 -0.698 50 20 JBGD Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NNC(=O)c1ccc2c(c1)OCCO2 770424308 KYFLHCUGIDJODA-UHFFFAOYSA-N 450.473 -0.108 50 20 JBGD C[C@@H](CC(N)=O)C(=O)N1CCO[C@]2(CCN(C(=O)CN(C)NC(=O)NCc3ccccc3)C2)C1 1780969447 MCGSTRRMWQAMSQ-SBUREZEXSA-N 474.562 -0.326 50 20 JBGD O=C(CS(=O)(=O)N1CCCC1)N1CCO[C@]2(CCN(C(=O)[C@H](F)Br)C2)C1 1781331606 TWOPAFOTRVDYGH-DZGCQCFKSA-N 456.334 -0.068 50 20 JBGD COC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1796392395 OCYSVCGIUQPGOU-UKBAYJJMSA-N 491.350 -0.891 50 20 JBGD C[C@H](Nc1nccs1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1796412640 BTFGFFNXEYNQHZ-JFILPPLUSA-N 459.532 -0.155 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)[C@@H]1SC(=N)NC1=O 1796425119 MFQYJFOWTSVSDA-HYEKTOCLSA-N 489.558 -0.488 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1n[nH]c2ccc(F)cc12 1797478686 URRXDGZXMMLGIB-HBCWATKFSA-N 452.251 -0.101 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nn[nH]c1C(F)(F)F 1798711157 IDFNVCYGGPHVDB-BZBKMWRSSA-N 468.396 -0.661 50 20 JBGD CC(=O)N(C)[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN(C)NC(=O)NCc1ccccc1 1799095246 ZWHAUEBKAJQJHM-IBHRTIHJSA-N 488.589 -0.211 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CNC(=O)C1 1800523986 NSYLUZHTHODDDL-PJHJGJPPSA-N 460.443 -0.141 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)C[C@@H]2NC(=O)NC2=O)[C@H]1c1cccnc1 1804350476 ZIYWJSZOPKNTTJ-ZRGWGRIASA-N 459.507 -0.942 50 20 JBGD NC(=O)c1ncccc1C(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807369579 PBBXDWABGIIKDK-LAUBAEHRSA-N 473.298 -0.111 50 20 JBGD C[C@H](C(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1)[C@H]1SC(=N)NC1=O 1807375115 LRSWVIWPJJOBRR-UONJOCPKSA-N 495.370 -0.117 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1CCN(C(=O)c2cnc(O)nc2O)[C@@H]1c1cccnc1 1810301581 ABUDYUDWYVJMDJ-SUMWQHHRSA-N 478.469 -0.085 50 20 JBGD CN1N=C(C(=O)N[C@@H]2CCc3nc(NC(=O)c4cccc(B(O)O)c4)sc3C2)CCC1=O 1815350247 LRZJNXSRGSEFAI-CYBMUJFWSA-N 455.305 -0.343 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCC([C@@H]2CCCCN2C(=O)c2cc(=O)n3[nH]nnc3n2)CC1 1827398966 SDKGNYWIRLDFJP-SFHVURJKSA-N 479.306 -0.961 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CC(=O)N(C3CCCC3)C1)CCO2 1832359089 AOXBGGHDVSDWHV-UUOWRZLLSA-N 493.605 -0.393 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](CN)c1ccccc1)CCO2 1835822848 LLRNMGVGGANYCU-XXBNENTESA-N 461.563 -0.442 50 20 JBGD O=C(/C=C/C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2)c1cccs1 1835928323 KRXQFXADCQXNME-MNQSQUENSA-N 484.339 -0.063 50 20 JBGD Cc1nc2sccn2c1C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835937994 DMVYFCMQHHARSA-QFIPXVFZSA-N 484.343 -0.232 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc3ncnn3c1)CCO2 1837166821 JGRCLNKQBWHZBW-PVPASAESSA-N 494.512 -0.067 50 20 JBGD Cc1nc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)cs1 1837456530 JVVSGFCWFQWPOV-HXUWFJFHSA-N 460.516 -0.166 50 20 JBGD C[C@H](NC(=O)c1cnccn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCBr)C2)C1 1837607464 KIVUHYICNKGYOA-IFXJQAMLSA-N 484.351 -0.164 50 20 JBGD C[C@@](O)(CC(=O)O)CC(=O)N1CCC(OC2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1837921374 FFOQNIWLWCECQY-QHCPKHFHSA-N 476.335 -0.406 50 20 JBGD CO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CN(C)NC(=O)NCc3ccccc3)C2)C1 1840210549 MIKWTVXDTGDTOL-JPYJTQIMSA-N 477.562 -0.176 50 20 JBGD O=C(c1ccc(N2C(=O)C=CC2=O)cc1)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843015559 OUMUVMMLCNXRDO-UHFFFAOYSA-N 459.267 -0.073 50 20 JBGD CN(CC(=O)N1CCCC12CN(C(=O)CN1CCOCC1)C2)NC(=O)NCc1ccccc1 1845038811 WIEWOMOVFCFPKU-UHFFFAOYSA-N 458.563 -0.132 50 20 JBGD NC(=O)[C@H]1CC(C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)=NN1c1ccccc1 728319613 VVHYODXNSBLAHX-QAPCUYQASA-N 467.438 -0.363 50 20 JBGD O=C(NNC(=O)N1CCOCC1)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 745995796 BNHQSXZDHFAHAJ-UHFFFAOYSA-N 454.505 -0.069 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)Cc3ccc4ncnn4c3)C2)C1 1780950781 ZCEOGIZTQMYNNR-QFIPXVFZSA-N 464.486 -0.586 50 20 JBGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CSCN3C(=O)[C@@H]3CCC(=O)N3)C2)C1 1782873158 HRAXELKFCSRTHK-ODCFSMADSA-N 488.994 -0.750 50 20 JBGD C[C@H](Oc1ccccn1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1791621826 VTAJWDTYVBOXNP-UHMOLFJZSA-N 453.304 -0.178 50 20 JBGD CCOc1c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(=O)NN(C)C)C3)cnc2c1cnn2C 1796074629 JZPTVYDHECVRBW-YVWYUNDQSA-N 487.561 -0.057 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)[C@H]1SC(=N)NC1=O 1796425122 MFQYJFOWTSVSDA-NZJASEGXSA-N 489.558 -0.488 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc(O)nc1O)C2 1796440570 ROYLNSDMHPXXNC-TVAYQMQISA-N 457.447 -0.775 50 20 JBGD CC(C)(C)OC(=O)N1C[C@@](C)(O)C[C@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2 1800825313 LPEXURMDUSGIPO-VLMUSUEPSA-N 475.970 -0.064 50 20 JBGD CN1C(=O)CC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1808756686 BLKBPXMDVCTZSX-HFSMHLIXSA-N 450.304 -0.298 50 20 JBGD O=C(/C=C\C(=O)NC1CC1)Nc1nc2c(s1)C[C@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1819526014 IDBYWLKNBBIZAY-FJVVXJACSA-N 454.317 -0.117 50 20 JBGD CC[C@H](C)[C@@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C2)C1 1831508328 CZUMSRLDQCAGMK-KZWDGJKASA-N 463.535 -0.016 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1COc3ccccc3O1)CCO2 1832498240 CXVMKORQCRJSTK-AUSIDOKSSA-N 476.530 -0.344 50 20 JBGD C=CC(=O)N[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834798299 DZHNGVVWMXNJMV-INIZCTEOSA-N 456.352 -0.758 50 20 JBGD COc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)c(F)c1 1835931825 DIYDDEXNKOQWQR-QHCPKHFHSA-N 472.278 -0.102 50 20 JBGD O=C(COC1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835933683 AIMKIXXLFZXPFY-HSZRJFAPSA-N 460.336 -0.214 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)c3cncc4cnccc34)C2)C1 1835938551 YDANSZWGOIUFBL-DEOSSOPVSA-N 476.298 -0.307 50 20 JBGD O=C1NC(=O)[C@@H](CC(=O)N2CCC(N3CCC(NC(=O)[C@H](F)Br)CC3)CC2)N1 1836414014 UDYIXJRLEYSRTG-OCCSQVGLSA-N 462.320 -0.153 50 20 JBGD Cc1cc(C(=O)NCC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](F)Br)C3)C2)no1 1837549402 UTZZTEZGCMESKF-PBHICJAKSA-N 477.287 -0.140 50 20 JBGD Cc1nc(F)ccc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1838263982 ROUMEIVATIDHJR-JOCHJYFZSA-N 457.267 -0.407 50 20 JBGD CCOC(=O)N[C@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](F)Br)CCO2)C1 1839200174 HDLHVUJWFVGHDS-HFAKWTLXSA-N 456.265 -0.802 50 20 JBGD CN1CCCn2nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)CCC(=O)NN(C)C)C4)C3)cc2C1 1839622371 AJINPLLVHVPCMZ-HSZRJFAPSA-N 491.593 -0.838 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(Cl)nc3)C2)C1 1840183247 WDPOBQFKRYIKSB-LJQANCHMSA-N 454.915 -0.427 50 20 JBGD O=C(CCCn1cccc1)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1840460301 HSJZCFDZQNKIEL-HSZRJFAPSA-N 455.320 -0.282 50 20 JBGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CN3C(=O)CSC3=S)CCO2)C1 1840896943 CMVRUDRYUBQXRL-SJCJKPOMSA-N 465.981 -0.443 50 20 JBGD NS(=O)(=O)c1ccc(CC(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)s1 728324311 SVUGQCYTXWIQIW-CYBMUJFWSA-N 455.470 -0.531 50 20 JBGD COc1cc2c(cc1OC)[C@@H](CC(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1)N(S(C)(=O)=O)CC2 731761575 SCERLHOPXKYXIN-DZGCQCFKSA-N 489.572 -0.465 50 20 JBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2)c1cc(O)nc(O)c1 1777848170 KUKZBHXLIHBTMB-VGOFRKELSA-N 455.276 -0.386 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H]2CCCS2(=O)=O)C1 1781660996 PRJWDQIPFIVARD-RZQQEMMASA-N 458.581 -0.550 50 20 JBGD C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786986872 OJCWBEXTZNYHAV-WJMWBRGCSA-N 499.373 -0.124 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@@H](N)c1cccnc1 1795682631 UXCWQUNRTZXXCC-BAAGSCJXSA-N 453.503 -0.627 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc([N+](=O)[O-])c3c1OCO3)C2)c1cccc(B(O)O)c1 1795740258 LIIURFHELSFOMZ-ZSBFGKGUSA-N 483.242 -0.480 50 20 JBGD CC[S@@](=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C(C)=N/NC(=O)c1ccc[nH]1 1796441889 DEVOPZYSSNSRNV-BZFHADRNSA-N 451.549 -0.131 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1n[nH]c2ccc(F)cc12 1797478382 IUMFNZMYNNAUIF-HBCWATKFSA-N 452.251 -0.101 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)C1=C2c3ccccc3C(=O)N2CC1 1798449944 QGJOVVMGTNXRMA-FAQVEIGNSA-N 487.321 -0.160 50 20 JBGD CN(CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1C[C@H](O)CN1)NC(=O)NCc1ccccc1 1799921002 UDJMRQDYHKDXKR-WPVAHCMFSA-N 458.563 -0.306 50 20 JBGD Cc1cc2nnc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)CCC(=O)NN(C)C)c(C)n2n1 1801011480 OWQHCHURAWCZPA-YVWYUNDQSA-N 458.523 -0.683 50 20 JBGD CC(=O)NC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1803591502 GVJOHMOKCFJSMJ-ICSRJNTNSA-N 452.320 -0.004 50 20 JBGD CN1CCN(CCC(=O)N2CCC3(CCCN(C(=O)c4cccc(B(O)O)c4)C3)CC2)CC1 1809976600 JGVAYMFFFZWEBJ-UHFFFAOYSA-N 456.396 -0.151 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)CCc2nc(N)n[nH]2)[C@@H]1c1cccnc1 1813072980 IPHSOZYTLZVLHR-FOIQADDNSA-N 457.539 -0.207 50 20 JBGD O=C(O)CSCC(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1813084712 DSORKTSFOSEYBF-OXJNMPFZSA-N 457.317 -0.101 50 20 JBGD NC(=O)c1nccnc1C(=O)N[C@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815344393 XBZSBZYPKQNNND-LBPRGKRZSA-N 466.288 -0.749 50 20 JBGD NC(=O)c1ncccc1C(=O)N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815354786 DNBCDJHIWWAAHH-ZDUSSCGKSA-N 465.300 -0.144 50 20 JBGD O=C(COc1ccc(O)nn1)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1821664813 XFQMPVXYPFIFTJ-MRXNPFEDSA-N 466.263 -0.030 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCC([C@@H]2CCCCN2C(=O)CN2CCS(=O)(=O)CC2)CC1 1824974004 BGJJFZKWMPEHGJ-NRFANRHFSA-N 491.419 -0.670 50 20 JBGD O=C([C@H](O)CCl)N1CCO[C@@]2(COCCN(C(=O)[C@H]3ON=C(c4ccccc4)O3)C2)C1 1830731461 LQGNPSDIGAPCPB-YSGRDPCXSA-N 453.879 -0.223 50 20 JBGD Cn1cccc(C(=O)NC2CCN(C3CCN(C(=O)c4ccc(B(O)O)cc4)CC3)CC2)c1=O 1833585079 ODNVDFBFXXVWSN-UHFFFAOYSA-N 466.347 -0.436 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1)c1nc[nH]c1[N+](=O)[O-] 1835100642 IUWVOUCPQKSHCU-UHFFFAOYSA-N 470.295 -0.503 50 20 JBGD COC(=O)[C@@H]1CC[C@@H](C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)C1 1835926626 VJTDQDATSSQIDF-PNCHPQGNSA-N 474.319 -0.974 50 20 JBGD C[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc4n(n3)CCCNC4=O)CCO2)C1 1836780801 IIVLKLFFUYVCPO-ORAYPTAESA-N 484.351 -0.130 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C(F)(F)C(F)F)C2)C1 1837456985 USDNZOAEMUEVGQ-KRWDZBQOSA-N 463.388 -0.345 50 20 JBGD C[C@H](C(=O)N1CCC(OC2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1)n1cnnn1 1837922056 GKKFCHAIPJOBTE-OAHLLOKOSA-N 456.312 -0.774 50 20 JBGD CC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](Cc3cnc[nH]3)NC(C)=O)C2)C1 1839148984 PLMNKPPJVUNIFK-HLIPFELVSA-N 455.943 -0.069 50 20 JBGD C[C@@](Cl)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1839151899 HXRJIASPHWAACI-RTBURBONSA-N 459.135 -0.327 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(O)cc1F)CCO2 1839317666 NVUSSQOCQUOBTO-NRFANRHFSA-N 452.483 -0.026 50 20 JBGD CCN(CC)C[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1839676668 SJXQNUULNXAKNZ-MBSDFSHPSA-N 461.368 -0.586 50 20 JBGD CC[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(=O)n4[nH]nnc4n3)C2)C1 1839964156 ITCKECFSTVXPEX-PIGZYNQJSA-N 484.311 -0.944 50 20 JBGD COC(=O)[C@@H]1CC=CC[C@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1840141704 OURGINZLVTZTKC-YOSAUDMPSA-N 486.330 -0.808 50 20 JBGD CSCC[C@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C2)C1 1840197304 JDLAUSBHTKHVKD-WPWRZWQBSA-N 481.575 -0.309 50 20 JBGD COCCOCCOCCOCCC(=O)N1CCCC12CN(C(=O)c1cccc(B(O)O)c1)C2 1845245562 WHJDTMWCCIKKBX-UHFFFAOYSA-N 478.351 -0.730 50 20 JBGD NS(=O)(=O)c1ccc(N2CCN(C(=O)NNC(=O)CNC(=O)c3cccs3)CC2)cc1 725874337 YYPLAEURNCZDEF-UHFFFAOYSA-N 466.545 -0.312 50 20 JBGD CCn1c(CCC(=O)NNC(=O)c2cnn[nH]2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 729456689 BFBDTJWXBGPLSW-UHFFFAOYSA-N 476.519 -0.411 50 20 JBGD O=C(NNC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)c1cccc(S(=O)(=O)N2CCCC2)c1 914830384 RGHHFZAZRHMRBB-JKSUJKDBSA-N 498.583 -0.732 50 20 JBGD COC(=O)[C@@H]1CC=CC[C@H]1C(=O)N1CC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1783858237 MXWMMNRXTJHQDZ-DRSNIGMVSA-N 450.536 -0.055 50 20 JBGD COC[C@H](Cl)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)CCO2 1783883015 BYLIPMNAFXMCQJ-YRVVQQKDSA-N 476.958 -0.161 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)CNC(=O)c1cccs1)CCO2 1783933022 AVGXGXBCDFLXLX-FQEVSTJZSA-N 451.549 -0.319 50 20 JBGD C[C@@H](O)[C@H](NC(=O)c1ccccc1)C(=O)N1CCO[C@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783933220 SJHXGRLDZMCVLY-GQOCTPOGSA-N 489.573 -0.631 50 20 JBGD COc1nccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)c1F 1786979983 WMYWHHZLCXVBGK-WBAXXEDZSA-N 457.267 -0.184 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnncc3C(=O)O)C[C@@H]21 1787508799 URHKEHJCMMTBGS-IYFGCAPJSA-N 483.485 -0.098 50 20 JBGD CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H](O)CCl)C[C@@H]32)C1 1791329723 CIILCRKKYPAYAB-KUSYAZKWSA-N 475.970 -0.062 50 20 JBGD CCOC(=O)N1CCC(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)CC1 1792143351 GGKJGFSAVRDUFP-JBACZVJFSA-N 487.362 -0.172 50 20 JBGD COc1cccc(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)n1 1795737385 XYKSEQFGQKEKMH-FAQVEIGNSA-N 453.304 -0.394 50 20 JBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCN1Cc2ccccc2C1=O 1797186302 GZVAGNPOQBFRCL-FEJSZKPUSA-N 471.558 -0.005 50 20 JBGD C[C@@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797748670 QSQJNQYHOFDORU-OHTBPHCPSA-N 454.325 -0.081 50 20 JBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCn1c(=O)oc3ccccc31)C2 1801010667 PHIRLHWVKOKQFW-MFKICJERSA-N 473.530 -0.053 50 20 JBGD CC(=O)Nc1ccccc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1801776622 GFPIAFOPKNHZCQ-UPHUGPLXSA-N 451.288 -0.158 50 20 JBGD CCNC(=S)NCC(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807365387 IWNOZNHKZCMEJQ-XLIONFOSSA-N 469.376 -0.435 50 20 JBGD CC[C@H](NC(C)=O)C(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807366276 SQMUHIYEYQXWGB-HLAWJBBLSA-N 452.320 -0.004 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807374444 KTHCTZMBCVMQBE-PGRDOPGGSA-N 467.335 -0.546 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1CCN(C(=O)CC[C@H](N)C(N)=O)[C@@H]1c1cccnc1 1808414663 KZLIEAZUIAIQIY-HJNBRIKBSA-N 482.545 -0.186 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H](CNC(=O)[C@@H]2CNC(=O)C2)[C@@H]1c1cccnc1 1812639380 LKMJBXSGOJMVGP-VCBZYWHSSA-N 451.487 -0.464 50 20 JBGD C=CCNC(=O)/C=C\C(=O)N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815347648 IXGLGUIYNWYGHS-CDNLZTBQSA-N 454.317 -0.093 50 20 JBGD CC(=O)OC[C@H](OC(C)=O)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1 1817472616 XLSHCEHYRDLFOH-OALUTQOASA-N 486.290 -0.110 50 20 JBGD O=C(CNC(=O)C(F)(F)F)Nc1nc2c(s1)C[C@@H](NC(=O)c1cccc(B(O)O)c1)CC2 1826140977 UMIGIYIGWRCKMS-NSHDSACASA-N 470.238 -0.273 50 20 JBGD CS(=O)(=O)c1cncc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)c1 1830725003 KWBDTLZVHGHTPK-QAPCUYQASA-N 461.924 -0.845 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1ncc(Cl)cn1)CCO2 1833785715 MNFVNUQJCQWIOU-HXUWFJFHSA-N 460.683 -0.806 50 20 JBGD CN(CC(=O)N1CCOC[C@]2(C1)CN(C(=O)CC(C)(C)O)CCO2)NC(=O)NCc1ccccc1 1835267962 WYWFOCJJSJMXEL-XMMPIXPASA-N 491.589 -0.050 50 20 JBGD Cc1nc(C)c(C(=O)N2CCOC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)s1 1835935635 WOAHTOXNQCIKHX-NRFANRHFSA-N 459.333 -0.176 50 20 JBGD Cc1ccn2ncc(C(=O)N3CCOC[C@@]4(CN(C(=O)c5cccc(B(O)O)c5)CCO4)C3)c2c1 1835935836 USAQUHGZTVRYHX-XMMPIXPASA-N 478.314 -0.294 50 20 JBGD CN(CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cncnc3)C2)C1)NC(=O)NCc1ccccc1 1839054326 UJZWKWKSPLVBIW-DEOSSOPVSA-N 497.556 -0.107 50 20 JBGD CC[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)N3CCOCC3)C2)C1 1839964995 KJOOEDHDZINLCC-YXJHDRRASA-N 464.357 -0.733 50 20 JBGD CC[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nccnc3C(N)=O)C2)C1 1839965737 IWYOJSOEBRCSSI-KPZWWZAWSA-N 470.324 -0.181 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(CN(C(=O)CCn3ccnn3)CCO2)C1 1840446609 FYFUPTNRKUJVCR-DOZBRYHWSA-N 472.506 -0.741 50 20 JBGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)CCN1CCCC1=O 727705330 MJWBYWWOPAPYHG-UHFFFAOYSA-N 452.533 -0.200 50 20 JBGD CCN(CC)S(=O)(=O)c1ccc(OC)c(C(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)c1 919886005 OWBUDHWNIJELGA-GFCCVEGCSA-N 462.550 -0.143 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1780096724 GESTYFWFBYULTE-QHCPKHFHSA-N 497.269 -0.043 50 20 JBGD COCCOCCOCCOCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](Cl)COC)[C@H]2C1 1791257805 UFWLYWKSICZHNH-OKYOBFRVSA-N 480.986 -0.084 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1[C@@H](O)CCN1C(=O)OCc1ccccc1)C2)[C@H](O)CCl 1792982887 VHYJLGZGFMDIMP-ROMHJBHXSA-N 495.960 -0.052 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)[C@@H]1CCc2ccccc2[C@@H]1O 1793036638 YYKULCIBSSPDNA-DDFUWSPLSA-N 464.327 -0.134 50 20 JBGD CC(C)(C)OC(=O)N1CC(=O)C[C@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2 1793087902 RTFYDAZQYVMUPP-FSNAAORZSA-N 459.927 -0.246 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc(-c3ccccn3)nc1)C2)c1ccc(B(O)O)cc1 1795732575 XGARMJZGUASZJD-RMFSNUHRSA-N 473.298 -0.265 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)C2)c1ccc(B(O)O)cc1 1795736315 YFPJZHZMOBBPPK-CCWDJLKJSA-N 455.232 -0.503 50 20 JBGD CN(CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CSCC(=O)O)NC(=O)NCc1ccccc1 1801021028 QNKLLOCBIDXDAQ-UPHUGPLXSA-N 493.586 -0.260 50 20 JBGD N=C1NCCN1CC(=O)NC[C@@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1807116897 XTKUWQBGYBYBQC-KXBFYZLASA-N 465.518 -0.760 50 20 JBGD CCNC(=S)NCC(=O)NC[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1812333951 VCANFOXSJZLLKK-OXJNMPFZSA-N 463.608 -0.056 50 20 JBGD O=C1CC(C(=O)N2CCN(C(=O)OCc3ccccc3)[C@@]3(CCN(C(=O)[C@H](O)CCl)C3)C2)=NN1 1829121634 WBXYNYOQMXSDLG-VGOFRKELSA-N 491.932 -0.086 50 20 JBGD CC(=O)NCC(C)(C)C(=O)NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1833544686 OSXSXDXJUNXARC-UHFFFAOYSA-N 472.395 -0.286 50 20 JBGD CC(C)c1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)no1 1835935243 JYKYMDOBXAQLDP-JOCHJYFZSA-N 457.292 -0.138 50 20 JBGD CC(=O)N(C)CCC(=O)N1CCC(OC2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1837039913 QIEIJLOYXJZVRL-UHFFFAOYSA-N 459.352 -0.153 50 20 JBGD Cc1cccnc1C(=O)N1CCOC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837456026 HKASZGBBBHZTRY-QFIPXVFZSA-N 454.487 -0.228 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc3cccnc3nc1O)CCO2 1839512576 FKALTXUTEIVORJ-XMMPIXPASA-N 492.297 -0.601 50 20 JBGD O=C(COc1ccc(O)nn1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1839670160 TVSJBFPLFLCXAC-ZBFHGGJFSA-N 463.260 -0.292 50 20 JBGD CC[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cc(C)c(O)nc3=O)CCO2)C1 1840808094 JKFMQFNBQDABSC-LIRRHRJNSA-N 487.351 -0.113 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)c2ccccc2C(=O)OCCO)C1 1844719247 SZJMIPCYHIAFNH-UHFFFAOYSA-N 467.482 -0.035 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC2(CCCN2C(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)C1 1845223879 KTFGOPQIJYMSMM-HNNXBMFYSA-N 455.556 -0.162 50 20 JBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)CCCN1C(=O)c2ccc(Br)cc2C1=O 729276133 XOPFNLATRBYICR-SECBINFHSA-N 475.321 -0.090 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2nccnc2C(N)=O)C1 1779940159 BXTJUCKEHQBJBC-SPLOXXLWSA-N 461.523 -0.924 50 20 JBGD C[C@H](NC=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN(C)NC(=O)NCc3ccccc3)[C@H]2C1 1789726596 CENBJQUSZAKPMA-LEAZDLGRSA-N 474.562 -0.553 50 20 JBGD COCCn1nccc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1 1791291535 XXEZYXAIGBLQQB-BQFCYCMXSA-N 450.540 -0.504 50 20 JBGD CC(C)(C)OC(=O)N1CC=C(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)C1 1793224593 CQKQXZUJDFEHKJ-OPVJXMOQSA-N 485.346 -0.253 50 20 JBGD Cc1nc[nH]c1CSCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795734072 APLVBCZLZPDGSD-CWPLJXCYSA-N 458.349 -0.465 50 20 JBGD C[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2)n1cccc1C=O 1795750519 XHCYGALNUCYFFU-ZTENYAIWSA-N 454.487 -0.237 50 20 JBGD C[C@@H](Nc1cccnc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797750452 FUORVYBKXSKSOC-BKEDOTJMSA-N 453.503 -0.216 50 20 JBGD CCOC(=O)N(CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)Cc1ccco1 1801236438 IFPDPEUKKUJWCA-OPMZPASUSA-N 499.329 -0.179 50 20 JBGD CC(=O)N[C@@H](Cc1cccc(F)c1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1802040781 QGKYIZHOJFVZFY-YDLSIGKMSA-N 497.332 -0.544 50 20 JBGD C[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1802114315 NEKIHDHNJXPWBA-REGYPHIPSA-N 480.525 -0.293 50 20 JBGD CC(=O)NCCC(=O)N1CC[C@@H](CNC(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1810305878 PGNJEECGISFLKX-OXJNMPFZSA-N 453.503 -0.074 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)CN2C(=O)C=CC2=O)[C@@H]1c1cccnc1 1813072892 GQDYJRGQSXWAJZ-KSFYIVLOSA-N 456.503 -0.615 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)Cn2ccncc2=O)[C@@H]1c1cccnc1 1813073114 HKIQZMBUVPIAPR-HTAPYJJXSA-N 455.519 -0.283 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)c1ccco1)CCO2 1829821251 DPYXWOLLMRMLNQ-KXCHEBIWSA-N 473.486 -0.097 50 20 JBGD COC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](O)CCl)CCO2)C1 1830728865 YSDIZTLUSKGMGM-SIFCLUCFSA-N 479.958 -0.418 50 20 JBGD O=C(CCN1CCOCC1)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1835447973 IDTGDBYXXNBUSG-DOTOQJQBSA-N 452.321 -0.144 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4c3CCCC4)C2)C1 1835928780 ZBKHPUQSDSYAPQ-HSZRJFAPSA-N 468.319 -0.648 50 20 JBGD O=C(c1ccc2ncncc2c1)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835936932 KJFQTWZWCILGIL-DEOSSOPVSA-N 476.298 -0.307 50 20 JBGD Cc1cc(C(N)=O)cc(C)c1C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1837434128 UADCKAACXYEAPY-VWLOTQADSA-N 495.341 -0.534 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4n[nH]cc4c3)C2)C1 1837457762 QCWCRVLOWIHHCN-HSZRJFAPSA-N 479.497 -0.055 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(-n3cccn3)nc1)CCO2 1838121044 SDLSGLQVSIWQEL-HSZRJFAPSA-N 485.545 -0.290 50 20 JBGD CN(CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@](C)(Cl)CCl)CCO2)C(=O)C(=O)O 1839155214 OMNFLJQMHJMISG-IAGOWNOFSA-N 454.307 -0.778 50 20 JBGD CC(=O)N/C(C)=C/C(=O)N1CCO[C@@]2(COCCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C2)C1 1839647116 ZKBKDBPOEVDEHJ-ZPGNNPJGSA-N 474.518 -0.383 50 20 JBGD O=C(Cc1ccc(F)cc1F)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1839978669 UQAGGECUAPUBAG-HSZRJFAPSA-N 474.269 -0.043 50 20 JBGD C[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=O)C(F)(F)F)CCO2)C1 1840203770 RFCVHIQYDKQTCO-QMTHXVAHSA-N 460.247 -0.095 50 20 JBGD Cc1ncc(/C=C/C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)s1 1840518275 FRGOBKPWSWHPDZ-IOUFHMPJSA-N 471.344 -0.085 50 20 JBGD Cc1cc(C(=O)N2CCCC23CN(C(=O)c2ccc(B(O)O)cc2)C3)n(-c2cccc(=O)n2C)n1 1843131982 RQWVWASGYJXFOS-UHFFFAOYSA-N 475.314 -0.310 50 20 JBGD O=C(CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21)NNC(=O)C(=O)NC1CC1 10215207 CKYMMLXYKWUVFJ-UHFFFAOYSA-N 465.488 -0.805 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CC[C@H]3CCC(=O)N3C1)CCO2 1779032590 NTGNWJBBKMMXLG-SYJLOODJSA-N 470.530 -0.470 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3Cc4ccccc4CN3)C[C@@H]21)c1cccc(B(O)O)c1 1786983353 OKJVMIZECYHMCV-UDIDDNNKSA-N 463.343 -0.326 50 20 JBGD CN1Cc2ccccc2C[C@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795732932 RGUCZSYXQZKQBX-MQFRRQCYSA-N 463.343 -0.374 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCc3ccccc3[C@@H]1O)C2)c1cccc(B(O)O)c1 1795737652 GFPDPVCUKFUVQK-MHYJACLRSA-N 464.327 -0.134 50 20 JBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCC(=O)N1C(=O)OC(C)(C)C)C2 1801012071 AJCQAFKOMRDTLJ-UIVXKWKOSA-N 495.577 -0.125 50 20 JBGD CC(=O)N(C)[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807365209 XBUXCYAULWMABH-MFMILTCTSA-N 452.320 -0.052 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1 1817474592 FEKNTRQQAAHLPY-QGZVFWFLSA-N 456.312 -0.232 50 20 JBGD NNC(=O)c1ccncc1C(=O)N[C@H]1CCc2nc(NC(=O)[C@H](O)N3CCOCC3)sc2C1 1819886149 GEEHCSXTJFOCJW-WLRWDXFRSA-N 475.531 -0.982 50 20 JBGD NCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCN2C(=O)OCc1ccccc1 1829001611 YRQQGGPIMXDERT-XMMPIXPASA-N 480.330 -0.609 50 20 JBGD O=C(/C=C/C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2)NCc1ccccc1 1830719614 GUTRKYCKAKFSFG-ASOQJVPHSA-N 465.934 -0.085 50 20 JBGD C[C@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc4n(n3)CCNC4=O)CCO2)C1 1834560553 LGTDYPMPVHQAOI-YJYMSZOUSA-N 484.351 -0.273 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)CCc3cnc[nH]3)CC2)CC1)c1ccc(B(O)O)cc1 1834797264 AQZJHTXDTICGLI-UHFFFAOYSA-N 453.352 -0.093 50 20 JBGD C[C@@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)CNCP(=O)(O)O)CCO2)C1 1835537467 KIQNVTOEIPEMGE-SWLSCSKDSA-N 472.273 -0.801 50 20 JBGD C[C@](Cl)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835931078 FGYCFMSPZRBYEZ-RBUKOAKNSA-N 459.135 -0.327 50 20 JBGD O=C1CCc2ccc(C(=O)N3CCOC[C@]4(C3)CN(C(=O)c3ccc(B(O)O)cc3)CCO4)cc21 1835932289 XYJMJJHTYGHBHR-VWLOTQADSA-N 478.310 -0.121 50 20 JBGD C[C@@H](Oc1cccnc1)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835933576 CGILWSCNOGUITD-HXOBKFHXSA-N 469.303 -0.701 50 20 JBGD O=C(CC12CCCN1CCC2)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835939407 PQAJFAREEUNFSD-XMMPIXPASA-N 471.363 -0.545 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1ON=C(c3ccccc3)O1)CCO2 1837293049 SVVVZQJYECRUQK-ZEQRLZLVSA-N 495.297 -0.829 50 20 JBGD CN1CCCC[C@H]1C(=O)N1CCOC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837456833 QPUBYAXDUDJKHL-AVRDEDQJSA-N 460.535 -0.761 50 20 JBGD Cc1cc(C(=O)NCC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)Br)C3)C2)no1 1837550124 PAVZLJRPHGCEHC-FZKQIMNGSA-N 473.324 -0.047 50 20 JBGD Cc1cc(C(=O)NCC(=O)N2CCC(OC3CCN(C(=O)c4ccc(B(O)O)cc4)CC3)CC2)no1 1837919211 QIMADZPVMXFCNA-UHFFFAOYSA-N 498.345 -0.295 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCC(OC2CCN(C(=O)[C@@H]3CCC(=O)N3C)CC2)CC1 1838650275 UHVKUPUCZSICAA-SFHVURJKSA-N 451.568 -0.021 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc3cccnn3c1)CCO2 1839562057 HLHJITPATVBQHN-QFIPXVFZSA-N 458.519 -0.223 50 20 JBGD CSCC[C@@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C2)C1 1840197303 JDLAUSBHTKHVKD-RCQWNHEVSA-N 481.575 -0.309 50 20 JBGD CCOC(=O)N[C@@H](O)C(=O)N1CC2(CCCN2C(=O)CN(C)NC(=O)NCc2ccccc2)C1 1845038935 KDELUELTKSBEPI-SFHVURJKSA-N 476.534 -0.400 50 20 JBGD O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)NCCS(=O)(=O)N1CCSCC1 730672826 OPNGSNODZSBEGO-UHFFFAOYSA-N 484.648 -0.092 50 20 JBGD COC(=O)CCS(=O)(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 731050182 DTPVBMPYKQCRQP-UHFFFAOYSA-N 463.534 -0.846 50 20 JBGD COc1cc2c(cc1OC)[C@@H](CC(=O)NNC(=O)[C@H]1CCN(C)C(=O)C1)N(S(C)(=O)=O)CC2 910848241 NKGJIZJGTODVNW-GOEBONIOSA-N 482.559 -0.032 50 20 JBGD C[C@](Cl)(CCl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(=O)n4[nH]nnc4n3)[C@H]2C1 1787270831 WBYCKCDKVWMVNJ-RVOMIOKESA-N 458.306 -0.358 50 20 JBGD COc1ccc([C@@H](O)C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)cc1 1792718349 YIULVOIHLFSWMS-HRYATBACSA-N 469.498 -0.370 50 20 JBGD CN[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](CCl)NC(=O)OC(C)(C)C)C2)C(=O)O 1795638634 GGWJMIJLXSWQHT-RGHULWKBSA-N 476.958 -0.229 50 20 JBGD CC(=O)N[C@@H](Cc1cccc(F)c1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2 1802042277 SJINKVKTDGQTKT-KQZHTCIUSA-N 491.564 -0.165 50 20 JBGD C[C@H](CS(C)(=O)=O)C(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1803582494 JEFRORJBPIEYIJ-ZTNFWEORSA-N 473.360 -0.238 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)CS(=O)(=O)N2CCCC2)[C@H]1c1cccnc1 1808412122 LHLQNCDFRDGDAW-XMSQKQJNSA-N 494.618 -0.114 50 20 JBGD Cn1c(=O)c2c(ncn2CC(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@@H](O)CCl)CC2)n(C)c1=O 1825102807 SSHAVSGWKUVIKR-HOTGVXAUSA-N 494.980 -0.347 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CC(c3ccccc3)=NO1)CCO2 1831254827 MYFWJKYYDCCWKE-RCZVLFRGSA-N 493.325 -0.370 50 20 JBGD CCS(=O)(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)Br)C2)C1 1831329704 QTTRTANDIWLCFZ-IOASZLSFSA-N 470.386 -0.446 50 20 JBGD CN1CCC[C@H](C(=O)N2CCC(N3CCC(NC(=O)c4cccc(B(O)O)c4)CC3)CC2)C1 1834801160 OBHOOLOMTYGGPJ-IBGZPJMESA-N 456.396 -0.107 50 20 JBGD COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)cc1 1835067026 LGEZOXOKJOWZNI-XMMPIXPASA-N 468.315 -0.312 50 20 JBGD O=C(c1ccc(-n2cccn2)nc1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835931416 RFWVLMANHNKREQ-XMMPIXPASA-N 491.313 -0.669 50 20 JBGD Cc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)c1 1835939332 MMEODQBMRKUNKV-DEOSSOPVSA-N 463.299 -0.070 50 20 JBGD O=C([C@H]1CCc2nc(O)nc(O)c2C1)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843010556 CFBJFXWIYQRBQY-AWEZNQCLSA-N 452.276 -0.810 50 20 JBGD O=C(COC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)NNC(=O)c1ccc(Cl)cc1 914651759 ONYTUKAMOLCICV-GXTWGEPZSA-N 457.892 -0.320 50 20 JBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2)c1cc(O)nc(O)n1 1778016803 ZOXGCKUGXQRXJB-IIBYNOLFSA-N 456.264 -0.991 50 20 JBGD Cn1nc(C(F)(F)F)cc1C(=O)N1CC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1779655669 VTHNGEDEMKOMEB-LJQANCHMSA-N 466.225 -0.124 50 20 JBGD CN(CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1CCC(=O)N1)CCO2)NC(=O)NCc1ccccc1 1780969964 PLOFOXBFSSSLMJ-JPYJTQIMSA-N 472.546 -0.559 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCN1CCOC1=O)C2 1782215250 ZIVMOSNNAUPDRI-IIBYNOLFSA-N 453.540 -0.284 50 20 JBGD Cc1cc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cnccc4C(=O)NN)C[C@@H]32)nn1C 1784240601 HNONGEIGWHWUCV-JVPBZIDWSA-N 455.519 -0.437 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)nc(O)c3)[C@H]2C1 1787293844 RIUHRYVJWJPBJX-UVBJJODRSA-N 456.459 -0.602 50 20 JBGD Cc1cc(NC(=O)CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cnccc4C(=O)NN)C[C@@H]32)no1 1787491885 XKAGJONCUFVBKC-JQFCIGGWSA-N 485.501 -0.396 50 20 JBGD Cc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)nc2nccn12 1790408472 NKADWLBNIWURJM-QRFRQXIXSA-N 463.303 -0.375 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CC(c3ccccc3)=NO1)C2)c1ccc(B(O)O)cc1 1795732716 CNYBQIKBMLUSKA-GMQQQROESA-N 463.299 -0.237 50 20 JBGD CC(C)(C)OC(=O)N1CC2(C[C@@H]2C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)C1 1795737151 XQFXJNQGFBDKJA-PIKOESSRSA-N 499.373 -0.173 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc2n(n1)CCCC2 1797441414 VIOQKPAJGISGPS-HBCWATKFSA-N 453.503 -0.265 50 20 JBGD O=C(C[C@H]1CNc2ccccc2O1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1797675746 KDTAMZKQDXEWKZ-ZQYRFBGISA-N 465.315 -0.167 50 20 JBGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1cn2c(nc1=O)SCC2 1799074319 JOYBQFVEAUFHMK-HLPPOEQASA-N 456.952 -0.265 50 20 JBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1801011633 WRNLMYDHJQDOCX-MFKICJERSA-N 470.530 -0.258 50 20 JBGD CC(C)(C)OC(=O)N1CCN(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](O)CCl)C3)C(=O)C1 1802188135 LQUXPEYHEBMWDT-BASYENTBSA-N 488.969 -0.745 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCC2(CCCN(C(=O)c3ccc(B(O)O)cc3)C2)CC1 1809967098 UAXNDMMCSMGEDF-UHFFFAOYSA-N 450.109 -0.795 50 20 JBGD CCS(=O)(=O)CC(=O)N[C@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815335804 RYMUEDQRUOIWHV-ZDUSSCGKSA-N 451.335 -0.517 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1CC(F)(F)C1)CCO2 1829989134 NEOJTVMGOXFHSY-IBGZPJMESA-N 453.446 -0.200 50 20 JBGD COc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)c([N+](=O)[O-])cc1O 1830731809 MWXPYAYUGIOZII-BEFAXECRSA-N 473.866 -0.021 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1)c1cccc(=O)n1O 1833962096 IGSGCNQRJZMCBF-UHFFFAOYSA-N 468.319 -0.736 50 20 JBGD C[Si](C)(C)c1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)co1 1835930363 HODVEVOBMZYHPI-HSZRJFAPSA-N 486.406 -0.112 50 20 JBGD O=C(c1ccc2ncncc2c1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835930550 MSDRMGNJQKVSIV-DEOSSOPVSA-N 476.298 -0.307 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1837460048 ZTBSRHDKYRETSK-ZGOGOCENSA-N 490.517 -0.716 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCC(OC2CCN(C(=O)[C@@H]3CCCS3(=O)=O)CC2)CC1 1837921611 SBCSQKCASMEFQB-FQEVSTJZSA-N 478.376 -0.444 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)c1cc(O)ccc1F)CCO2 1839294996 VYOMVUJQLYHYNG-QFIPXVFZSA-N 458.251 -0.405 50 20 JBGD CC[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1839966957 VCBVHILDGILSPY-KBXCAEBGSA-N 463.373 -0.011 50 20 JBGD C[C@H](Oc1cccnc1)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1840453567 KIUIMEIJPMOEMQ-QMHKHESXSA-N 484.513 -0.382 50 20 JBGD CCCCn1c(=O)[nH]c(=O)c2c1nc(CCC(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1)n2CC(C)C 15639615 YWMJJPZIIWYFIX-AWEZNQCLSA-N 496.590 -0.143 50 20 JBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)CCn2c(=O)[nH]c(=O)c3ccccc32)c1 16594243 QLVQMYKVZBDGSI-UHFFFAOYSA-N 459.484 -0.209 50 20 JBGD COCCNS(=O)(=O)c1cccc(C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)c1 728323182 KQFOFKLHICSHIE-GOSISDBHSA-N 493.494 -0.245 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc4nncn4c3)C2)C1 1778594082 GPSZOUIMVMURMB-OAQYLSRUSA-N 450.459 -0.515 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1CC(=O)CN1C(=O)OC(C)(C)C)CCO2 1783933386 WYYXIUBWFGGECA-GAJHUEQPSA-N 495.577 -0.232 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cn3[nH]cnc(=O)c3c1C)C2 1796441684 PWLMPFROENYBNC-WDJDXOCGSA-N 494.512 -0.332 50 20 JBGD O=C(/C=C\C(=O)NC1CC1)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1810124287 ICJCZDGHVYVQIN-KMOFIXPOSA-N 462.315 -0.084 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1810304170 AMSJYFVOPYUNNU-HRAATJIYSA-N 482.545 -0.227 50 20 JBGD C[C@@H](CS(C)(=O)=O)C(=O)N[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815335846 TZUNZYYUERLPOX-SMDDNHRTSA-N 465.362 -0.271 50 20 JBGD CC(=O)OC[C@H](OC(C)=O)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1819431527 WNEYGHLINFZUEU-OALUTQOASA-N 486.290 -0.110 50 20 JBGD N#Cc1ccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)cc1 1829631084 GLOAKAXHOISOBD-VWLOTQADSA-N 477.326 -0.059 50 20 JBGD CC(C)[C@@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)CN(C)NC(=O)NCc3ccccc3)C2)C1 1830872198 URXVHYKBICRPQY-QPPBQGQZSA-N 491.589 -0.194 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)c1n[nH]c3c(F)cccc13)CCO2 1837057014 JTXFCDHUDDGAMG-HSZRJFAPSA-N 482.277 -0.234 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn4cccc(F)c34)C2)C1 1837460110 VNUNBMRSDGEDTP-QHCPKHFHSA-N 497.487 -0.144 50 20 JBGD O=C(C/N=C/c1ccco1)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1837562450 KWWPYEUAXCRPKK-XUHCNCODSA-N 455.276 -0.852 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)Cn1cncn1)CCO2 1837643575 STDIEQMHKKCDOJ-QTDXJGAVSA-N 486.533 -0.495 50 20 JBGD CS(=O)(=O)N1CCC(C(=O)N2CC3(CCCN3C(=O)c3cnccc3C(=O)NN)C2)CC1 1844264290 CKSXELFUWPHOKQ-UHFFFAOYSA-N 464.548 -0.826 50 20 JBGD COc1ccc(S(=O)(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1[C@]1(C)NC(=O)NC1=O 917717304 PENXOSJLGBXXNU-JXFKEZNVSA-N 476.467 -0.101 50 20 JBGD CN(CC(=O)N1CC[C@]2(CN(C(=O)CCC(N)=O)CCO2)C1)NC(=O)NCc1ccccc1 1780969311 WBHOCMYNTMBWDB-JOCHJYFZSA-N 460.535 -0.572 50 20 JBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2)c1cnn2c1CCC2 1781282129 SKGGFRRZNLVWLU-NFBKMPQASA-N 452.320 -0.050 50 20 JBGD CC(C)(C)OC(=O)N[C@H](CCO)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21 1784195451 YNRIOQQMCAROOZ-QMHWVQJVSA-N 463.959 -0.159 50 20 JBGD Cc1nn(C)c(C)c1CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cnccc1C(=O)NN)CCO2 1784508532 AHLDVLXORYPLMT-JOCHJYFZSA-N 455.519 -0.278 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC1(c2ccc(NC(=O)c3cc(=O)n4[nH]nnc4n3)cc2)CCC1 1788408775 RFFNKDXVMUICSH-UHFFFAOYSA-N 488.468 -0.127 50 20 JBGD CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21 1789928411 NJCAPJLGOFYYKT-RBZJEDDUSA-N 463.959 -0.159 50 20 JBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1sc2nccnc2c1N 1795705932 GTTSAMMRUARBPV-DRXBFXEBSA-N 461.548 -0.150 50 20 JBGD Cc1ccc(-n2ccnn2)c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)c1 1795735984 MRQLIIASZPOVEZ-OPMZPASUSA-N 475.314 -0.227 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1ccc2c(n1)OCCO2 1796281483 MHYZLEQYJIARGV-CCWDJLKJSA-N 453.260 -0.950 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1ccc(CCN2CCCC2)nc1 1796504178 POFAMTYBOKLLNB-RUMRUAAYSA-N 492.385 -0.083 50 20 JBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc3[nH]ncc3c1)C2 1797750830 RLCZNRRVXMPMJJ-XOIINTDNSA-N 450.459 -0.527 50 20 JBGD N=C1NCCN1CC(=O)N1CC[C@H](CNC(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1810303921 XFEJOIIKFPEBJC-BEFAXECRSA-N 465.518 -0.760 50 20 JBGD O=C(COc1cccnn1)N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815361765 RGFFJAVTQCRFPB-AWEZNQCLSA-N 453.289 -0.082 50 20 JBGD CCOC(=O)C1(C(=O)N2CCC(N3CCC(NC(=O)c4ccc(B(O)O)cc4)CC3)CC2)CC1 1834799350 YSVXPOYQHFQJHW-UHFFFAOYSA-N 471.363 -0.105 50 20 JBGD O=C(Cc1cccc(F)c1)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1835022086 MWBGTTGDCJIWPR-QHCPKHFHSA-N 456.279 -0.182 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(CN(C(=O)COCc3ccccc3)CCO2)C1 1835368972 YRTSZPRJLQUOSW-DEOSSOPVSA-N 483.525 -0.028 50 20 JBGD Cc1cccc(C)c1NC(=O)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835931653 VYPDDIOGCJVQAG-RUZDIDTESA-N 495.341 -0.308 50 20 JBGD O=C(CCc1cccnc1)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1836178206 MVIBLGQXSPLKQJ-HSZRJFAPSA-N 453.304 -0.536 50 20 JBGD CC(=O)OC[C@H](OC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)CBr)C2)C1 1837496136 FJNCNWAFNYRZPR-ACWOFJMJSA-N 493.351 -0.031 50 20 JBGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cn4[nH]cnc(=O)c4c3C)CCO2)C1 1838472597 RWHWZENCBFCSHQ-YWZLYKJASA-N 467.910 -0.345 50 20 JBGD CN(CC(=O)N1CCO[C@]2(COCCN(C(=O)CC#N)C2)C1)NC(=O)NCc1ccccc1 1839054069 FQTVMVKEZHXOOF-QFIPXVFZSA-N 458.519 -0.297 50 20 JBGD CC(C)N1CCC[C@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1840585079 WUKZHMWRYXWRQG-AVRDEDQJSA-N 453.584 -0.311 50 20 JBGD Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 14326511 PSBUVMCQDKJUOT-UHFFFAOYSA-N 492.558 -0.441 50 20 JBGD COC(=O)NCCC(=O)NNC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1S(C)(=O)=O 730829704 HCQABQSKVWYXQT-CQSZACIVSA-N 472.520 -0.154 50 20 JBGD Cc1c(NC(=O)CSCC(=O)NNC(=O)C(=O)N2CCCC2)c(=O)n(-c2ccccc2)n1C 748247745 VMFFAVFSHHAXOR-UHFFFAOYSA-N 474.543 -0.074 50 20 JBGD NC(=O)C(=O)NNC(=O)Cn1c(=O)c2c(ncn2Cc2ccccc2)n(Cc2ccccc2)c1=O 792528060 VSJGVNPZDDMCSH-UHFFFAOYSA-N 475.465 -0.911 50 20 JBGD CC(=O)NCC(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C(C)=N/NC(=O)c1ccc[nH]1 1796439582 NOWLUEUTGPVOGO-MWNLDVRMSA-N 460.535 -0.128 50 20 JBGD COC[C@H](NC(C)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](CCl)NC(=O)OC(C)(C)C)C2 1797964107 NKWIYDPENRGBFS-QEOTZNIISA-N 490.985 -0.141 50 20 JBGD CN(CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1cccnn1)C2)NC(=O)NCc1ccccc1 1799098983 LPUUDCKSBHVPHX-BBIADKPPSA-N 497.556 -0.209 50 20 JBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](CCN)NC(=O)OC(C)(C)C)C2 1801012965 HXFPDWKVWQINIK-YYAJDYIMSA-N 484.598 -0.809 50 20 JBGD O=C(NC[C@H]1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807362380 KKGKEMVXBKSWOP-DYESRHJHSA-N 478.274 -0.114 50 20 JBGD O=C(O)CSCC(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807366917 IIIVOVPPCRHKDG-JXFKEZNVSA-N 457.317 -0.101 50 20 JBGD O=C(CSc1nc[nH]n1)N[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815347894 VVPQCVCLYJOONM-GFCCVEGCSA-N 458.334 -0.041 50 20 JBGD COC(=O)CSCC(=O)NC1CCN(C2CCN(C(=O)c3cnccc3C(=O)NN)CC2)CC1 1833479023 RJERVEMXVNRBJB-UHFFFAOYSA-N 492.602 -0.224 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnc(N(C)C)o1)CCO2 1833903628 BUABKZCUPATVFL-FQEVSTJZSA-N 452.512 -0.816 50 20 JBGD O=C(CCBr)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1834822443 NOZJIIYLTAFBNO-GOSISDBHSA-N 455.114 -0.779 50 20 JBGD C[C@@](Cl)(CCl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(=O)n4[nH]cnc4n3)CCO2)C1 1835924177 OTRKHKOQCUDRFM-MSOLQXFVSA-N 473.317 -0.276 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1837458758 AHMSBAIFWGTLEE-XMMPIXPASA-N 485.541 -0.546 50 20 JBGD C[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(=O)nc4cccnn34)CCO2)C1 1838503234 JPLTUJWCWYDCIF-BFUOFWGJSA-N 480.319 -0.057 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc3nccn13)CCO2 1839551524 XDDFTRYURWVXBG-HSZRJFAPSA-N 464.287 -0.602 50 20 JBGD CC(=O)NCCC(=O)N1CCO[C@@]2(COCCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C2)C1 1839884253 CSNLSFAJIUQZOT-SGSZHJQISA-N 462.507 -0.897 50 20 JBGD CN(C)C(=O)c1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)c1 1840788325 GTBWONGUAFWKTH-RUZDIDTESA-N 495.341 -0.548 50 20 JBGD CC(C)(C)OC(=O)N[C@@]1(C(=O)N2CC3(CCCN3C(=O)c3cccc(B(O)O)c3)C2)CCOC1 1843014376 CXICXZVDVNULTR-QHCPKHFHSA-N 473.335 -0.133 50 20 JBGD CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C(=O)N2CC3(CCCN3C(=O)c3cccc(B(O)O)c3)C2)C1 1843014513 RSVQIFPEHMWZLR-MSOLQXFVSA-N 473.335 -0.589 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC12CN(C(=O)Cn1cc(C)c(O)nc1=O)C2 1843417244 MIKLMTLIYZSILE-ZVHZXABRSA-N 455.475 -0.405 50 20 JBGD CC(C)NC(=O)NNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 745146419 SCHPWJFKZHEVKI-UHFFFAOYSA-N 455.537 -0.104 50 20 JBGD COc1ccc(C(=O)N2CCC[C@@H]2C(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)c(OC)c1 919886088 PRVJHTAQBZJVJR-IUODEOHRSA-N 454.505 -0.174 50 20 JBGD CC(C)n1cnc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2ccc(B(O)O)cc2)C3)n1 1778282470 IOWFEDMZTDGEPZ-XMSQKQJNSA-N 455.324 -0.020 50 20 JBGD CN(CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc(O)n(C)n1)CCO2)NC(=O)NCc1ccccc1 1780968600 HOTYIDTYJJWSBA-QHCPKHFHSA-N 485.545 -0.085 50 20 JBGD C[C@](O)(CC(=O)O)CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cnccc1C(=O)NN)C2 1782207109 SEJZNVDSUGJPOH-NPFVIJTESA-N 477.518 -0.572 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)c3cc4cccnc4nc3O)C2)C1 1782264386 MHDDKNFQCBEEPW-HSZRJFAPSA-N 462.271 -0.228 50 20 JBGD O=C1CN(CC(=O)Nc2ccc(C3(NC(=O)c4cccc(B(O)O)c4)CCC3)cc2)C(=O)N1 1786685648 ACCFQEHCWOFJND-UHFFFAOYSA-N 450.260 -0.334 50 20 JBGD COc1cc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)ccc1[N+](=O)[O-] 1795736328 ZJVXYHIOZGUROX-FAQVEIGNSA-N 483.286 -0.271 50 20 JBGD Cc1ccc(S(=O)(=O)CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)cc1 1795737566 WJHJEWPVLHWQCP-OPMZPASUSA-N 486.355 -0.648 50 20 JBGD O=C(CCN1Cc2ccccc2C1=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1797183949 FTOVDZSPRSRARI-BBIADKPPSA-N 477.326 -0.384 50 20 JBGD C[C@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)CS(=O)(=O)N3CCCC3)C2)C1 1830538747 ORQPBEMAPUCWCY-CRAIPNDOSA-N 496.424 -0.101 50 20 JBGD CC(C)(C)OC(=O)N1CC(=O)C[C@H]1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830719480 DJBHVJMTVOXUFD-QYWGDWMGSA-N 489.953 -0.379 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ncc(F)cc1F)CCO2 1831968113 ROQVDQYTZBHMAN-HXUWFJFHSA-N 455.462 -0.197 50 20 JBGD CC(C)N1CCC(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)CC1 1832416351 ZBSGTACGWVEUKT-HSZRJFAPSA-N 467.611 -0.064 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnc(-c3ccccn3)nc1)CCO2 1833292730 FJSCMFNACURFAV-DEOSSOPVSA-N 497.556 -0.018 50 20 JBGD O=C(CCc1cncnc1)NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834842475 MDWPBVDTSVIXFL-UHFFFAOYSA-N 465.363 -0.026 50 20 JBGD CN(C)CCC(=O)N1CCO[C@]2(COCCN(C(=O)CN(C)NC(=O)NCc3ccccc3)C2)C1 1835387811 BTWCZEPMJKBERC-XMMPIXPASA-N 490.605 -0.259 50 20 JBGD Cc1ncccc1CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835927120 GPUSVJAFLODLRW-XMMPIXPASA-N 467.331 -0.227 50 20 JBGD CCOC(=O)O[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837459324 CQCGFFSCSKNVHB-QKKBWIMNSA-N 479.490 -0.683 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)c1cccn(C(F)F)c1=O)CCO2 1837770285 YGKGAFMSQBVYNE-QFIPXVFZSA-N 491.256 -0.693 50 20 JBGD CCOC(=O)C1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)CC1 1839761501 MWJALCMFWWBZSS-OAQYLSRUSA-N 475.502 -0.902 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc4snnc4c3)C2)C1 1840185877 UVSPPSWROWRQGY-HXUWFJFHSA-N 477.547 -0.471 50 20 JBGD COCCOCCOCCOCCC(=O)N1CCCC12CN(C(=O)c1cnccc1C(=O)NN)C2 1845246013 YHCQWFMXSOXGHY-UHFFFAOYSA-N 493.561 -0.412 50 20 JBGD CC(C)C(=O)Nc1nc(O)c2ncn(CC(=O)N3CC[C@H]4[C@@H]3CCN4C(=O)[C@@H](O)CCl)c2n1 1847562766 LEHBKVVYGGNXHU-AVGNSLFASA-N 479.925 -0.072 50 20 JBGD CC(C)NS(=O)(=O)c1ccc(NNC(=O)NCCS(=O)(=O)N2CCSCC2)nc1 730673020 QLPIGPICABXDCQ-UHFFFAOYSA-N 466.611 -0.227 50 20 JBGD O=C(COC(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)NNC(=O)[C@@H]1COc2ccccc2O1 794505301 QXXWDBULIRBCOV-UUOWRZLLSA-N 494.460 -0.090 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(CCN(C(=O)c3cn4ncccc4n3)C2)C1 1777952205 XNMWDUCONGXECR-OAQYLSRUSA-N 450.459 -0.515 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2n[nH]cc2[N+](=O)[O-])C1 1779602639 NVGDFINJULKKGI-FOIQADDNSA-N 472.462 -0.242 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccccc1C(=O)OCCO)CCO2 1783935398 PYZBEGHAQKEVHS-QHCPKHFHSA-N 476.530 -0.348 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ncn4nc(N5CCOCC5)ccc34)C[C@@H]21)[C@H](O)CCl 1784090019 NQBZLOGKYIEAPD-ONIAQPFYSA-N 492.964 -0.241 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3cncnc3)C[C@@H]21 1788610519 XMBFBSYWXXHORU-SNRMKQJTSA-N 453.503 -0.299 50 20 JBGD CCCC(=O)N[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1 1788610959 CGEIUGKNLOCYQU-BODMPHMZSA-N 460.535 -0.417 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COc3cccnc3)C[C@@H]21 1788611534 KHTJSOOIUWMNCX-JVPBZIDWSA-N 454.487 -0.248 50 20 JBGD COc1ccc([C@@H](O)C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)cc1 1792712980 MCGHYIAHOFFMME-HRQSHJORSA-N 454.288 -0.688 50 20 JBGD CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(B(O)O)cc2)C1 1796188455 IIFJHJIDRGIMJV-LJDSDSDDSA-N 487.362 -0.154 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2c(c1)OCCO2 1796791842 VWSCMPLBXQRACL-YVWYUNDQSA-N 467.482 -0.027 50 20 JBGD O=C(NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)c1cc2n(n1)CCNC2=O 1806080342 MYLJUSOEJDPJIP-DYESRHJHSA-N 488.313 -0.665 50 20 JBGD O=C(CN1C(=O)CSC1=S)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1814185472 BWDJYEOPCUXCHC-OXJNMPFZSA-N 498.395 -0.059 50 20 JBGD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(=O)n3[nH]cnc3n1)CC2)c1cccc(B(O)O)c1 1815354524 GKFWBRGCBXVTMH-LBPRGKRZSA-N 479.287 -0.907 50 20 JBGD Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)nn1C 1830958842 XRMJISLIQFXOQH-NRFANRHFSA-N 450.540 -0.900 50 20 JBGD CN(CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1)C(=O)c1ccccc1 1831142628 BXPGFZVSQOAVBK-DYESRHJHSA-N 453.923 -0.185 50 20 JBGD O=C1NCCn2nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)[C@@H](F)Br)C4)C3)cc21 1834563722 JIHAFMUDESOBIU-DYVFJYSZSA-N 474.287 -0.613 50 20 JBGD O=C(Nc1cccnc1)C(=O)NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1835802914 WUCQNAHVJGUBEK-UHFFFAOYSA-N 479.346 -0.415 50 20 JBGD C[C@@H](C(=O)NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1)n1ccccc1=O 1835826610 XAIYSCJCFIUYKX-SFHVURJKSA-N 480.374 -0.026 50 20 JBGD CC(C)(C)n1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)nn1 1835930898 ACWLKDFFQUYRPA-JOCHJYFZSA-N 471.323 -0.903 50 20 JBGD O=C(Cc1noc2ccccc12)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835935442 FEUAVKNEZBYTQL-XMMPIXPASA-N 479.298 -0.180 50 20 JBGD O=C(c1n[nH]c2c1CS(=O)(=O)C2)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1836259127 CKVUZWYHPJENMA-CZUORRHYSA-N 495.327 -0.401 50 20 JBGD CC(=O)N1CCN(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@](C)(Cl)CCl)C3)C2)CC1 1836767653 OFYAWWCTWJRYBS-UXHICEINSA-N 479.405 -0.157 50 20 JBGD CCc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)n[nH]1 1837457527 IFJNBIJOCWFVHM-OAQYLSRUSA-N 457.491 -0.646 50 20 JBGD Cc1cn(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@](C)(Cl)CCl)CCO3)c(=O)nc1O 1839156368 NRHHCBDGQBGEHB-OALUTQOASA-N 477.345 -0.050 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)C3CCC(CO)CC3)C2)C1 1840182810 VJDAFXUISXQUBP-RWWKDMOOSA-N 454.568 -0.386 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c(c3)OCCO4)C2)C1 1840184265 FZZBDIHWVGEMGT-QHCPKHFHSA-N 476.530 -0.099 50 20 JBGD COc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)c1F 1840793397 STJXMCZZIKBKLJ-QHCPKHFHSA-N 472.278 -0.102 50 20 JBGD CC(C)(C)OC(=O)N[C@H](C(=O)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1)C(C)(C)O 1843015525 MPSPPINAFZVOBN-QGZVFWFLSA-N 475.351 -0.152 50 20 JBGD COc1cc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc(OC)c1OCC(N)=O 16178061 HWFOPFVPFYFRCO-UHFFFAOYSA-N 480.499 -0.107 50 20 JBGD O=C(COC(=O)CNS(=O)(=O)c1cccs1)NNC(=O)[C@@H]1COc2ccccc2O1 728323496 GXAFBOFTAOEXKS-ZDUSSCGKSA-N 455.470 -0.443 50 20 JBGD COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)NNC(=O)C(=O)N2CCCC2)cc1 748240847 ZDTBZGWVPZIQLJ-UHFFFAOYSA-N 456.521 -0.647 50 20 JBGD CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)cc1 919889601 PQHYEFLSYOYERR-DOTOQJQBSA-N 486.572 -0.050 50 20 JBGD COC(=O)c1ccc(Br)c(S(=O)(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)c1 919960698 BDQWOWACQXBLMM-SECBINFHSA-N 470.323 -0.085 50 20 JBGD C=CC(=O)N[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)CN(C)NC(=O)NCc3ccccc3)CCO2)C1 1779279712 GNZACYONPWNXHJ-HOYKHHGWSA-N 486.573 -0.147 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)[C@@H]3CC[C@@H]4CCC(=O)N4C3)C2)C1 1781054790 PXVCUIPDDBXINR-BOCKYXSRSA-N 455.320 -0.789 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)C2)C1 1781356454 ZGRAPPAWUPHCCR-ZHRRBRCNSA-N 485.582 -0.535 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(-n4cnnc4)cc3)C[C@@H]21)c1ccc(B(O)O)cc1 1786979425 HQYLZQZYPPIRDB-NYVOZVTQSA-N 475.314 -0.146 50 20 JBGD CC(C)(C)OC(=O)N(CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1)C1CC1 1795732614 CARUNTFJFTWJMM-UPHUGPLXSA-N 487.362 -0.031 50 20 JBGD CN(CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CC[C@H](N)C(N)=O)NC(=O)NCc1ccccc1 1796085604 NUBYAIMHJATJGO-RDGPPVDQSA-N 473.578 -0.436 50 20 JBGD COC(=O)[C@H]1CC=CC[C@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797753959 FUDRZDPSRBHMKY-ORPDJEOSSA-N 471.514 -0.356 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CSCC(=O)O 1801022029 HJXAGQIHRUUEDO-PACWOBJQSA-N 451.505 -0.472 50 20 JBGD CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807363414 BYONRTDHMNJKFA-SLYNCCJLSA-N 498.345 -0.076 50 20 JBGD COC(=O)CSCC(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807365996 REEZZODDZJZMKW-UWJYYQICSA-N 471.344 -0.013 50 20 JBGD O=C(CS(=O)(=O)N1CCCC1)N1CCC2(CCCN(C(=O)c3ccc(B(O)O)cc3)C2)CC1 1809966571 GEQHRTDGWZICIQ-UHFFFAOYSA-N 477.392 -0.363 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCCC2(CCN(C(=O)c3cc(=O)n4[nH]cnc4n3)CC2)C1 1809976909 XBLWVQZWFKOSQF-UHFFFAOYSA-N 464.291 -0.744 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)[C@H](O)N2CCOCC2)[C@H]1c1cccnc1 1810357447 GFIYXQSPDCTTSI-ZNLUXHQJSA-N 462.551 -0.889 50 20 JBGD NC(=O)c1nccnc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1 1817472121 JMFUHHJRKHASBZ-OAHLLOKOSA-N 463.263 -0.402 50 20 JBGD CN(C)C(=O)NCC(=O)N[C@H]1CCc2nc(NC(=O)c3cnccc3C(=O)NN)sc2C1 1819791317 NPSGXSRBQSXDOL-JTQLQIEISA-N 460.520 -0.361 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2nccnc2C(N)=O)n[nH]1 1820025838 CWXKBHGIDINUAI-CYBMUJFWSA-N 457.495 -0.023 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(F)nc1F)CCO2 1829528361 MDKZZGLZUIQNIS-NRFANRHFSA-N 461.230 -0.577 50 20 JBGD COc1ccc(OCC(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)cc1 1830235076 DIIRBVKXTWKDOE-DEOSSOPVSA-N 484.314 -0.476 50 20 JBGD CN(C)c1cncc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)c1 1833361680 AOYBBTRWHSQJSU-HSZRJFAPSA-N 483.529 -0.470 50 20 JBGD O=C(/C=C/c1cccnc1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835927212 MJZXVCSDNBNWGU-UXUAMCOBSA-N 451.288 -0.455 50 20 JBGD O=C(c1cccc(-n2cncn2)c1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835931854 DYSFYBVOJXIUOG-DEOSSOPVSA-N 491.313 -0.669 50 20 JBGD Cc1nccn1[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835934155 NFPHTIHBADYMAI-KSFYIVLOSA-N 456.308 -0.797 50 20 JBGD Cc1cc(C(N)=O)cc(C)c1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835937938 BKJAOLYXNXFYEQ-RUZDIDTESA-N 495.341 -0.534 50 20 JBGD Cc1cc(C)n(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)n1 1837461603 ZGKXELAYHDQFEA-QHCPKHFHSA-N 485.545 -0.341 50 20 JBGD C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1)n1ccccc1=O 1837687362 UXSUQCQGRRVVJE-WAIKUNEKSA-N 484.513 -0.822 50 20 JBGD COc1nc(C)ccc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1838174722 TWYWNUUFTMELSA-QHCPKHFHSA-N 469.303 -0.538 50 20 JBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCc4nc(O)nc(O)c4C3)C2)C1 1840150674 OURJNRFLVBCQKZ-XLDJFRKUSA-N 484.937 -0.297 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)N3CCCC3)C2)C1 1840182281 DAFOANZNIYYDKD-QFIPXVFZSA-N 467.567 -0.782 50 20 JBGD C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840183099 QNPPGQXSBXASDR-KSFYIVLOSA-N 485.582 -0.271 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(CN(C(=O)CC[C@@H]3CCOC3)CCO2)C1 1840589106 ZAFSREODPIBZQL-ZHRRBRCNSA-N 461.519 -0.428 50 20 JBGD CCn1cnc2c1c(=O)n(CC(=O)NNC(=O)CCN1CCCC1=O)c(=O)n2Cc1ccccc1 110698820 IERFFYZBBZQJCG-UHFFFAOYSA-N 481.513 -0.412 50 20 JBGD O=C(NNc1ccc(S(=O)(=O)NC2CC2)cc1)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 726862165 FWPFSACIWRROSR-CQSZACIVSA-N 469.545 -0.264 50 20 JBGD O=C1CN(S(=O)(=O)c2ccc(C(=O)NNC(=O)C3CCN(c4ncccn4)CC3)cc2)CCN1 728848167 YCOYZGMUGILVRC-UHFFFAOYSA-N 487.542 -0.725 50 20 JBGD C[C@H](Cn1cncn1)NC(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 749211698 OMUMHYPICHINHC-OAHLLOKOSA-N 465.536 -0.349 50 20 JBGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)CN1CCCNC1=O 915259852 FHVDBGZNRAPSTP-UHFFFAOYSA-N 453.521 -0.797 50 20 JBGD COc1c(F)cc(CC(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)cc1S(N)(=O)=O 915596048 GELFKRRPUWRCSK-UHFFFAOYSA-N 459.477 -0.111 50 20 JBGD CCS(=O)(=O)N(C)CCCNC(=O)NNC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 916580204 IGOFXXGOTIOORW-UHFFFAOYSA-N 463.582 -0.382 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1CNC(=O)C1)C2 1778094410 JDKOOULAZZXQIV-TYEBVYPTSA-N 458.519 -0.230 50 20 JBGD CC(C)c1nc(CC(=O)N2CCO[C@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)no1 1779029457 XSFLHEGVRGPMRB-OAQYLSRUSA-N 457.491 -0.122 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)[C@@H]3Cc4[nH]nc(C(F)(F)F)c4C3)C2)C1 1782846164 NDBFDPQKCHPGIF-QKKBWIMNSA-N 492.263 -0.033 50 20 JBGD CC[C@@H](NC(N)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C[C@@H]21 1787407771 UDMYKZOCJXAHFA-CGEVSQDCSA-N 461.523 -0.453 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc4ncccn4n3)[C@H]2C1 1788303900 BDUDYCSPZKJNSU-OWQGQXMQSA-N 464.486 -0.365 50 20 JBGD CNc1nsnc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1 1788607809 JZIIBSLAUOWCSO-BPNCWPANSA-N 460.520 -0.515 50 20 JBGD CN(CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1CC(=O)NC1=O)NC(=O)NCc1ccccc1 1794086389 HNXUWZKFQNISNZ-BCDXTJNWSA-N 485.545 -0.477 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1cc2cccnc2nc1O 1799922154 RTBJYARCUQOURQ-HGKCTWBKSA-N 462.271 -0.468 50 20 JBGD CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCBr)C2 1801285991 XRRRXXMXXYTUIO-IARIHHJXSA-N 456.341 -0.169 50 20 JBGD O=C(NC[C@@H]1CCN(C(=O)c2cc(=O)nc3cccnn23)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807363208 YZFAXTVICASFTO-FDDCHVKYSA-N 498.308 -0.202 50 20 JBGD CS(=O)(=O)CCC(=O)N1CC[C@H](CNC(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1810308650 LGGCLXFDIFLGMD-BEFAXECRSA-N 474.543 -0.166 50 20 JBGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1)[C@@H]1CCCS1(=O)=O 1812495846 IYMGHNZMMHUSEV-YSIASYRMSA-N 471.344 -0.342 50 20 JBGD CN1CCN(C2(C(=O)Nc3nc4c(s3)C[C@@H](NC(=O)c3cccc(B(O)O)c3)CC4)CC2)CC1 1822714550 NXJAEALXLQGJKR-KRWDZBQOSA-N 483.403 -0.171 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)CN)C2)C1 1829356232 OOVCLNQRTGOYIX-QHCPKHFHSA-N 474.562 -0.230 50 20 JBGD COc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)cn1 1831951805 VSRUITUXJQGRNT-JOCHJYFZSA-N 470.486 -0.528 50 20 JBGD Cc1cc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)ccn1 1832621371 HUDYYYUERPIDED-XMMPIXPASA-N 467.331 -0.227 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1cnn(-c3cccnc3)c1)CCO2 1833620785 YKKJBNLTMCKALG-XMMPIXPASA-N 491.313 -0.669 50 20 JBGD CC[S@@](=O)CCC(=O)N1CCC(N2CCC(NC(=O)c3cccc(B(O)O)c3)CC2)CC1 1834801026 HBHLLTCROZMQEC-JGCGQSQUSA-N 463.409 -0.290 50 20 JBGD O=C(Cc1ccccc1O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835932317 YXQIABCXZVHHHY-QHCPKHFHSA-N 454.288 -0.615 50 20 JBGD CN1CCC[C@@H](C(=O)NC2CCN(C3CCN(C(=O)c4ccc(B(O)O)cc4)CC3)CC2)C1 1836349631 YCACVCIXFJTVHJ-LJQANCHMSA-N 456.396 -0.107 50 20 JBGD C[C@@H](Nc1ccccc1)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1837336304 GSWVIVYIUOGBEW-HOYKHHGWSA-N 467.331 -0.063 50 20 JBGD C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1837399194 OAKKXIVIVYPFME-JTSKRJEESA-N 461.519 -0.672 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)c3ccccc3)C2)C1 1837457463 CZHZIFFQPVDDLV-CVDCTZTESA-N 469.498 -0.511 50 20 JBGD Cc1nnc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)s1 1837457915 VXFQQHALAKSYIK-HXUWFJFHSA-N 475.531 -0.842 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839199119 JRZZNRNFLAZYRC-YOEHRIQHSA-N 459.077 -0.873 50 20 JBGD CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1840060457 PMFGQFSJWBMWAJ-DXEZIKHYSA-N 491.969 -0.587 50 20 JBGD CS(=O)(=O)c1ccc(C(=O)N2CCCC23CN(C(=O)c2cnccc2C(=O)NN)C3)nc1 1842255126 CIBVTJGFRGIRRI-UHFFFAOYSA-N 458.500 -0.386 50 20 JBGD O=C1CN(c2cccc(C(=O)N3CC4(CCCN4C(=O)c4ccc(B(O)O)cc4)C3)n2)CCCN1 1843010922 VPDMJFDBYPUJTM-UHFFFAOYSA-N 477.330 -0.782 50 20 JBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)cc1 761577658 PPBMNWAGXUQRKR-UHFFFAOYSA-N 467.529 -0.739 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)C[C@H](N)c3cccnc3)CCO2)C1 1779030921 KBSBXKOMUIRVIB-PGRDOPGGSA-N 453.503 -0.386 50 20 JBGD COc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)c([N+](=O)[O-])cc1O 1789271197 MMJBXDDZRWNVPT-LFRPXUGBSA-N 499.285 -0.104 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nn[nH]c3C(F)(F)F)C[C@@H]21 1791290691 LOWHUVNHTBALSF-SRVKXCTJSA-N 461.445 -0.210 50 20 JBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(F)(F)C(F)(F)C(=O)O 1793730753 GGYIIXQDTLGODU-DDFAGTSDSA-N 456.393 -0.696 50 20 JBGD C[C@H](NC(=O)c1ccc(F)cc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795735312 YPJUVTSBSNGXEJ-HEFCWWFNSA-N 483.305 -0.473 50 20 JBGD COc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)ccc1[N+](=O)[O-] 1795740943 REAZZOVNLGPIKU-CWPLJXCYSA-N 469.259 -0.200 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cc(C)n(C)n1)C2 1796439408 ALBYEPOXHILVJG-OYSOCFBGSA-N 455.519 -0.005 50 20 JBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3nc(CO)[nH]c3c1)C2 1801011490 PJKUKDKGCJMLDN-USGNIVHTSA-N 458.519 -0.369 50 20 JBGD CN1CCN(CC(=O)NC[C@H]2CCN(C(=O)CCC(=O)NN(C)C)[C@@H]2c2cccnc2)CC1 1809604424 HAKUSCYIFYEUIN-AUSIDOKSSA-N 459.595 -0.292 50 20 JBGD O=C(NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1)c1cc(=O)nc2cccnn12 1811336450 RWGQKYHGKXERJS-WZONZLPQSA-N 498.308 -0.202 50 20 JBGD CCS(=O)(=O)N[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1815162308 IIFDBNNSMXNFEJ-GUYCJALGSA-N 477.352 -0.277 50 20 JBGD CC(=O)N1CCN(CC(=O)N[C@@H]2CCc3nc(NC(=O)c4cccc(B(O)O)c4)sc3C2)CC1 1815356833 SXPLHVJDQOVHBZ-QGZVFWFLSA-N 485.375 -0.787 50 20 JBGD C[C@@H](C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cnccc1C(=O)NN)CC2)n1cnnn1 1826978839 RHSDOFVEFVOWSB-VHSXEESVSA-N 456.492 -0.385 50 20 JBGD O=C(c1cc(=O)n2[nH]cnc2n1)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827054807 LFGHRUJLBXKDBV-IBGZPJMESA-N 478.318 -0.356 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)c3ncc(F)cc3F)C2)C1 1835934107 OGDWWNYQMXBBRP-NRFANRHFSA-N 461.230 -0.577 50 20 JBGD Cc1cnn([C@@H](C)C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)c1 1835934160 NNADOMCLWUQLIN-HTAPYJJXSA-N 456.308 -0.797 50 20 JBGD O=C(NCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2)c1ccccc1 1835934469 UMQPNQMZCPIPQN-VWLOTQADSA-N 495.341 -0.744 50 20 JBGD NC[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1)c1ccccc1 1837457554 JDKBGBDKOHBXEU-NTKDMRAZSA-N 482.541 -0.502 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cn4cccnc4n3)C2)C1 1837459655 VFDKDILSHJGUPC-JOCHJYFZSA-N 480.485 -0.888 50 20 JBGD N#Cc1ccccc1OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnccc1C(=O)NN)CCO2 1837460475 GSXAOCFXRGJFLO-DEOSSOPVSA-N 494.508 -0.294 50 20 JBGD CN(CC(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cccn3)C2)C1)NC(=O)NCc1ccccc1 1839054404 XDRQXDYXYTUVNC-DEOSSOPVSA-N 499.572 -0.314 50 20 JBGD Cc1nc2ccc(F)cn2c1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1839526171 DWGMJYXPPYZVCN-XMMPIXPASA-N 496.304 -0.155 50 20 JBGD Cc1cccc2c(C(=O)N3CCO[C@]4(COCCN(C(=O)c5ccc(B(O)O)cc5)C4)C3)n[nH]c12 1839595155 ZGDHUUUYBDNGIV-DEOSSOPVSA-N 478.314 -0.065 50 20 JBGD CC(=O)N[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C2)C1 1839877733 HTWNMSRYRHNDTF-OECUGOBDSA-N 462.507 -0.899 50 20 JBGD CC(=O)c1cc(C(=O)N2CCOC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)n[nH]1 1840183394 BZNLTOUOTFASII-FQEVSTJZSA-N 450.496 -0.945 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c(c3)CC(=O)N4)C2)C1 1840184646 ZEPQZSILVDNISG-QHCPKHFHSA-N 473.530 -0.376 50 20 JBGD C[C@@H](Nc1ccccn1)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840184909 CBCPGAWEUJJLSH-VGOFRKELSA-N 462.551 -0.289 50 20 JBGD COc1cc(N2CCC(C(=O)N3CC[C@H]4[C@@H]3CCN4C(=O)c3ccc(B(O)O)cc3)CC2)ncn1 1847668439 PWWRPSUZTOHVAW-PMACEKPBSA-N 479.346 -0.103 50 20 JBGD C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)NNC(=O)CNC(=O)c3cccs3)CC2)C[C@H](C)O1 725872168 BPFJOQREJLTVSG-KBPBESRZSA-N 488.592 -0.810 50 20 JBGD COCCN(C)CCCNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 916582172 ULAUWFXLVBTRME-UHFFFAOYSA-N 457.553 -0.380 50 20 JBGD CN1CCCn2nc(C(=O)NC[C@@]34CCCO[C@@H]3CCN(C(=O)c3cccc(B(O)O)c3)C4)cc2C1 1781429122 UWLSPOYOIGOZEQ-RCZVLFRGSA-N 495.389 -0.160 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1CCSCC1)C2 1782210070 CTYUWCOSKLXQPM-DYESRHJHSA-N 455.625 -0.078 50 20 JBGD C[C@@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCC(=O)NN(C)C)C1)[C@@H]1SC(=N)NC1=O 1782211826 ALDGHTXSCAUYHT-COESMTMPSA-N 482.607 -0.324 50 20 JBGD C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786986469 DJWGCIUNJYYWFR-XIVBQZFQSA-N 475.351 -0.127 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](F)Br)C[C@@H]21 1788610341 XZTCOJKKPZKMBC-HBEIAFGSSA-N 458.288 -0.031 50 20 JBGD CCC[C@H](NC(C)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21 1792186650 USULUCHDSOIOOZ-QZHFEQFPSA-N 460.535 -0.417 50 20 JBGD O=C1CSc2ncc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)c3ccc(B(O)O)cc3)cc2N1 1795736327 ZGJWBJZPPYHILU-CCWDJLKJSA-N 482.327 -0.677 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3c(c1)OCCO3)C2)c1cccc(B(O)O)c1 1795738694 AIGRICOLZDRCEQ-UPHUGPLXSA-N 452.272 -0.345 50 20 JBGD CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1 1796190402 UTPZKFHWOTUTPO-IVDHNXQLSA-N 487.362 -0.012 50 20 JBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1CN(C(=O)OC(C)(C)C)C1)C2 1801011715 XEUNZMCPZOJDDN-HGKCTWBKSA-N 467.567 -0.184 50 20 JBGD O=C1CC[C@H](C(=O)NC[C@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)CN1 1802611985 SAYZCFURSFHJJC-LVCYWYKZSA-N 450.304 -0.393 50 20 JBGD CCOC(=O)N[C@H](O)C(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807373821 CCRGAJUUBBRSHE-XKGZKEIXSA-N 470.291 -0.855 50 20 JBGD O=C(Cn1ccncc1=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1821655783 DUCGHBGYNAZVHJ-QGZVFWFLSA-N 450.264 -0.348 50 20 JBGD CC(=O)N1CCN(CC(=O)N[C@H]2CCc3nc(NC(=O)CCC(=O)NN(C)C)sc3C2)CC1 1826086212 MWJZUCPLFMWATI-HNNXBMFYSA-N 479.607 -0.408 50 20 JBGD CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1 1830574976 NADLGWZHZSQESF-ZJNRKIDTSA-N 453.895 -0.137 50 20 JBGD CN(CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1)C(=O)c1ccccc1 1831145259 KYIZUJXDKJVILH-VWLOTQADSA-N 495.341 -0.791 50 20 JBGD CCS(=O)(=O)CC(=O)N1CCO[C@]2(COCCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C2)C1 1831337782 MGSLGWUBTIFHSQ-INKLHFNDSA-N 483.547 -0.989 50 20 JBGD C=CCCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)c(O)n1 1833698297 DBYPGAGBKKVIQZ-VWLOTQADSA-N 495.341 -0.031 50 20 JBGD C[C@@H](Oc1ccccc1)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835931346 NHSMILHEZWJXPK-KOSHJBKYSA-N 468.315 -0.096 50 20 JBGD O=C(CCCc1ccncc1)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835935423 SHULVXDHRXNNJB-DEOSSOPVSA-N 467.331 -0.146 50 20 JBGD CCc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)nn1C 1837458962 GOJXHRFKGNMJFA-JOCHJYFZSA-N 471.518 -0.635 50 20 JBGD CC(C)c1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)on1 1838773936 AUWQSMKXBPRLRZ-JOCHJYFZSA-N 457.292 -0.138 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccncc3)CCO2)C1 1839060432 RJRQZQDAYDITNJ-JOCHJYFZSA-N 454.487 -0.607 50 20 JBGD CCOC(=O)C1(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C(C)=N/NC(=O)c4ccc[nH]4)C3)C2)CC1 1839760739 QSSPCWDRHKMGKB-NJRDNMGOSA-N 489.529 -0.080 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3COc4ccccc4O3)C2)C1 1840182255 ASJUZVUIUKHXJA-XXBNENTESA-N 476.530 -0.344 50 20 JBGD CC(C)(C)OC(=O)N1C(=O)CC[C@@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1840290157 YZRNMCIRNUXWHW-LRAJWGHMSA-N 489.953 -0.031 50 20 JBGD Cc1cnn([C@H](C)C(=O)N2CCO[C@@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)c1 1840406965 COJYEGPXXSKNAF-DYESRHJHSA-N 450.540 -0.418 50 20 JBGD C[C@H](NC(=O)c1ccccc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1840900102 IUOVRXSAVFRIEU-XPIZARPCSA-N 453.923 -0.139 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCCC12CN(C(=O)Cc1csc3c1c(=O)n(C)c(=O)n3C)C2 1846385421 DPCUJIHLOWFEFY-UHFFFAOYSA-N 490.586 -0.582 50 20 JBGD Cn1c(CC(=O)NNC(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)nc2ccccc21 726710482 BRNBRRUXQXEMMN-UHFFFAOYSA-N 465.518 -0.025 50 20 JBGD O=C(NNc1ccc(S(=O)(=O)NC2CC2)cc1)[C@H]1CC(=O)N(CCN2CCOCC2)C1 728211411 RKFZYPJXWJTBHZ-HNNXBMFYSA-N 451.549 -0.249 50 20 JBGD O=C(NNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1)C(=O)N1CCCC1 748238997 CTFFWRLTASTXKJ-CYBMUJFWSA-N 453.477 -0.235 50 20 JBGD CCc1ccc(C(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)cc1S(=O)(=O)N1CCOCC1 919884955 ILHJDVUXXCDTRE-HNNXBMFYSA-N 474.561 -0.599 50 20 JBGD Cn1c(=O)c(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)nc2ccccc21 1779031629 BZJQUTWZMMNUJT-XMMPIXPASA-N 491.508 -0.311 50 20 JBGD Cn1c(=O)c2c(CC(=O)N3CC[C@@]4(C3)CN(C(=O)[C@H](O)CCl)CCO4)csc2n(C)c1=O 1780922176 VXMVTOXSPRTKBV-ZUOKHONESA-N 484.962 -0.729 50 20 JBGD CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1783612082 MZEMZXAJCFMEAL-OHNQJVKOSA-N 461.943 -0.214 50 20 JBGD COC[C@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)Cc3csc4c3c(=O)n(C)c(=O)n4C)CCO2)C1 1783883790 YTDGBQSASWBUTG-LHSJRXKWSA-N 498.989 -0.075 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4n(n3)CCC4)C[C@@H]21 1788610928 ARICBUUQAVTRFD-IXDGSTSKSA-N 453.503 -0.265 50 20 JBGD COc1cccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)n1 1793986837 GYRPQCMJEHZZTR-VTEUUUEMSA-N 454.487 -0.465 50 20 JBGD C[C@@H](O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](Cc1ccc(B(O)O)cc1)NC(=O)OC(C)(C)C)C2 1801953069 JBHJXAFNVRMZJF-QSWMPLQWSA-N 489.378 -0.179 50 20 JBGD CCNC(=S)NCC(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807372445 FNMRAPBJGJXJIP-YLJYHZDGSA-N 469.376 -0.435 50 20 JBGD O=C1C[C@H](C(=O)NC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)CCN1 1813134405 ZRMYYGWZQXDMCI-MMOPVJDHSA-N 450.304 -0.393 50 20 JBGD O=C(Cn1cnnn1)N1CC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCN2C(=O)OCc1ccccc1 1828551305 MJBCLYOFYDZMPW-LAUBAEHRSA-N 491.936 -0.275 50 20 JBGD O=C(Cc1ccccc1O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835932316 YXQIABCXZVHHHY-HSZRJFAPSA-N 454.288 -0.615 50 20 JBGD CC(C)(C)c1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)[nH]n1 1837989079 ZNJRYDVQHOUNOY-QHCPKHFHSA-N 470.335 -0.229 50 20 JBGD Cc1ccc(O)c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)c1 1838892695 VHCPNPFSFZABQM-QHCPKHFHSA-N 454.288 -0.236 50 20 JBGD CCOC(=O)N1CCC(C(=O)N2CCO[C@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)CC1 1840818264 UGQCTCVBIHPTKU-QHCPKHFHSA-N 497.593 -0.316 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CC2(CCCN2C(=O)[C@H](O)N2CCOCC2)C1 1844296625 PLEXRFLIDCJOMY-IBGZPJMESA-N 462.459 -0.012 50 20 JBGD COCCNS(=O)(=O)c1ccc(CNC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cc1 916649740 RIXFBLHDSCWXJZ-UHFFFAOYSA-N 474.503 -0.269 50 20 JBGD CS(=O)(=O)CC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)cc1 919691698 LUSHTYPFCNLGLN-UHFFFAOYSA-N 494.595 -0.001 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(N4C(=O)C=CC4=O)cc3)C2)C1 1785225869 ZAXUTEFTQRGRIM-XMMPIXPASA-N 483.525 -0.068 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccnc4c3OCO4)C[C@@H]21)c1ccc(B(O)O)cc1 1786981220 ZQHWUGHBSMMEON-WBAXXEDZSA-N 453.260 -0.603 50 20 JBGD COC(=O)[C@@H]1CC=CC[C@H]1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786983985 YMBZCBQGMREUIM-MYGYKHERSA-N 470.331 -0.285 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=O)c1cccs1)C2)c1ccc(B(O)O)cc1 1795732769 HOXDUIVINDMQPV-CCWDJLKJSA-N 457.317 -0.939 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(Cl)c3nncn3c1)C2)c1ccc(B(O)O)cc1 1795734647 VFKYXRTZAWSIDT-JLVBRIDZSA-N 469.694 -0.421 50 20 JBGD Cc1cc(O)c([N+](=O)[O-])cc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795740760 LBYKXFQKOCFZII-YVWYUNDQSA-N 469.259 -0.194 50 20 JBGD CCNC(=S)NCC(=O)N1CC[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1 1813075210 XWFHRPBEVIGFMC-OXJNMPFZSA-N 463.608 -0.056 50 20 JBGD O=C(CN1C(=O)C=CC1=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827055114 QLFJQBPQVRXLRN-IBGZPJMESA-N 453.304 -0.475 50 20 JBGD Cc1cn(CC(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc(B(O)O)c3)CC2)c(=O)nc1O 1827059791 IXFJOFKWHUWEJN-HXUWFJFHSA-N 482.346 -0.129 50 20 JBGD CN(CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1)C(=O)OC(C)(C)C 1835210311 LNGWIUXDAPKNOK-HSZRJFAPSA-N 491.350 -0.697 50 20 JBGD COCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CN(C)NC(=O)NCc3ccccc3)C2)C1 1835234976 DNHZQEKEZBBDLN-QHCPKHFHSA-N 477.562 -0.175 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)c3cccc4c3OCC4)C2)C1 1835928384 NMRZWTPZQDBKKP-XMMPIXPASA-N 466.299 -0.315 50 20 JBGD Cc1nn(C)c(C)c1CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835939824 JPGWYPIEEGPJTI-QHCPKHFHSA-N 470.335 -0.971 50 20 JBGD CN1N=C(C(=O)N2CCC(OC3CCN(C(=O)c4ccc(B(O)O)cc4)CC3)CC2)CCC1=O 1837056521 LBZTYATUNLBNPP-UHFFFAOYSA-N 470.335 -0.413 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4cccn4cn3)C2)C1 1837458863 FSQOPDOZGVAFBG-HSZRJFAPSA-N 479.497 -0.283 50 20 JBGD CN(CC(=O)N1CCCC12CN(C(=O)[C@@H](N)CCC(N)=O)C2)NC(=O)NCc1ccccc1 1845038688 IQERBTRLRVPKGN-KRWDZBQOSA-N 459.551 -0.871 50 20 JBGD CC(C)n1nc(C(=O)NNC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)c2ccccc2c1=O 17197662 YGUZZVJEFUHBMQ-UHFFFAOYSA-N 480.485 -0.424 50 20 JBGD C[C@@H](C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)N1C(=O)NC2(CCCC2)C1=O 726495342 NMQVOLXCWYPIBD-AWEZNQCLSA-N 493.542 -0.278 50 20 JBGD CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NNC(=O)c3cnn[nH]3)CC2)cc1 729455995 LKNUJXVSFUWHGE-UHFFFAOYSA-N 450.477 -0.157 50 20 JBGD COCCn1cnc2c1c(=O)n(CC(=O)NNc1nccc(OC)n1)c(=O)n2Cc1ccccc1 914762851 RXKPKGZOQXOYIG-UHFFFAOYSA-N 480.485 -0.004 50 20 JBGD O=C(NCC(=O)N1CCCCC1)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 916473201 GHIULHWSMHEXPU-UHFFFAOYSA-N 453.521 -0.336 50 20 JBGD Cc1ccc(NC(=O)C(=O)NNC(=O)CNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc1 916831223 SFWQGQFGDNZEFK-UHFFFAOYSA-N 461.500 -0.239 50 20 JBGD CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)[C@H](O)CCl)CCO2)C1 1785515148 JKJMAZVQFBQZOE-ARGWCVDVSA-N 477.942 -0.128 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)n3cnnn3)[C@H]2C1 1791685744 ZGOCWKCEOCJSJA-WFHGCUKPSA-N 457.495 -0.652 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H]1CCc3nc(O)nc(O)c3C1)C2 1798440806 UFKODPLEPORYLI-YIYPIFLZSA-N 481.513 -0.057 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(Br)CC1 1799359252 SXPFCIXFEDJXAA-GNXNZQSNSA-N 452.309 -0.184 50 20 JBGD CS(=O)(=O)CCC(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807368266 RMPUDKCJOCMTET-FXAWDEMLSA-N 459.333 -0.484 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1CCN(C(=O)CNC(N)=O)[C@H]1c1cccnc1 1808425198 ZKSUZLYATOYAJB-AXFCDHHRSA-N 454.491 -0.110 50 20 JBGD COC[C@@H](NC(C)=O)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cccc(B(O)O)c1)CC2 1820185272 GSKRTPKQVWHKOQ-GOEBONIOSA-N 460.321 -0.800 50 20 JBGD NC(=O)c1nccnc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 1829507727 DGPSPCOQPDVISR-SFHVURJKSA-N 465.319 -0.198 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 1831871031 LABLZPCAJJBZHJ-HXUWFJFHSA-N 458.368 -0.027 50 20 JBGD O=C1NCCn2nc(C(=O)N3CCC(N4CCC(NC(=O)[C@H](O)CCl)CC4)CC3)cc21 1833309441 UYUBGHXTPLYSIU-QGZVFWFLSA-N 452.943 -0.589 50 20 JBGD CN1CCC[C@@H](C(=O)N2CCC(N3CCC(NC(=O)c4ccc(B(O)O)cc4)CC3)CC2)C1 1834798271 ATZFDHBJLULFAO-LJQANCHMSA-N 456.396 -0.107 50 20 JBGD C[C@](O)(CC(=O)O)CC(=O)N1CCOC[C@@]2(CN(C(=O)CCBr)CCO2)C1 1834826818 XKTOPFLTWUCKBU-IAGOWNOFSA-N 451.314 -0.156 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC1CCN(C2CCN(C(=O)CN3CCCC3)CC2)CC1 1835734391 DYXZEQOISFLHCP-UHFFFAOYSA-N 457.579 -0.034 50 20 JBGD C/C(=C\c1cccnc1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835933545 BHVMHOPUMSSGDN-XBEJUPMFSA-N 465.315 -0.065 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1)c1cc2cccnn2n1 1836077383 MDRSMPVZHYDXEY-UHFFFAOYSA-N 476.346 -0.092 50 20 JBGD CC(C)n1nccc1C(=O)N1CCOC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837459472 QXTMNAZEDYJPJI-QFIPXVFZSA-N 471.518 -0.154 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc4snnc4c3)C2)C1 1837459585 LAFFDIDDWOPVBD-NRFANRHFSA-N 498.525 -0.531 50 20 JBGD O=C(COc1cccnn1)N1CCC(OC2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1837922193 WKEYWBXSUTWYGL-UHFFFAOYSA-N 468.319 -0.152 50 20 JBGD COc1ccnc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)c1OC 1838840227 BUIFERUQPFBOMW-QHCPKHFHSA-N 485.302 -0.838 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H]3CNC(=O)C3)CCO2)C1 1839867295 HYPWRJAVNPNXIZ-LRAJWGHMSA-N 488.969 -0.289 50 20 JBGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1840034053 YWICYQDGTGTUBD-SGTLLEGYSA-N 470.324 -0.462 50 20 JBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)NC(=O)c3ccccn3)C2)C1 1840155766 HXAXQAIDQIOKQS-CKJXQJPGSA-N 468.938 -0.090 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(N(C)C)o3)C2)C1 1840183649 RCPLPGMSOCXCTA-HXUWFJFHSA-N 452.512 -0.816 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(CN(C(=O)CC[C@H]3CCOC3)CCO2)C1 1840589104 ZAFSREODPIBZQL-KSFYIVLOSA-N 461.519 -0.428 50 20 JBGD O=C(CNC(=O)c1cccs1)NNC(=O)NCCC(=O)N1CCN(c2ccccn2)CC1 726250697 AEPXKHWFIKTWEL-UHFFFAOYSA-N 459.532 -0.058 50 20 JBGD CC(=NNC(=O)[C@H](C)NS(C)(=O)=O)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 729819106 DELQBMKKSNGGRM-NSHDSACASA-N 454.552 -0.810 50 20 JBGD O=C1CN(S(=O)(=O)c2ccc(C(=O)NNC(=O)c3ccc4c(c3)OCCO4)cc2)CCN1 914462986 KLGWKRODBJURHN-UHFFFAOYSA-N 460.468 -0.347 50 20 JBGD COCCn1cc(C(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)ccc1=O 917388136 YICMKOAOQKBYSF-UHFFFAOYSA-N 492.554 -0.091 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)c3cc(Cl)c4nncn4c3)C2)C1 1778944586 ILDNBIGPUOCXFO-OAQYLSRUSA-N 469.694 -0.180 50 20 JBGD CCC[C@@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)[C@H]2C1 1785190895 ZVLCFGFPGSZAAI-JONQDZQNSA-N 494.980 -0.179 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccccc3-n3nccn3)C[C@@H]21)c1cccc(B(O)O)c1 1786985007 IOUNHKWVWMORSP-XJABCFGWSA-N 475.314 -0.146 50 20 JBGD CCS(=O)(=O)N[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C(C)=N/NC(=O)c1ccc[nH]1)C2 1793312290 PFUINDSUTBCYDI-RMTJUBHUSA-N 482.563 -0.962 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(Cl)cc3nn[nH]c13)C2)c1ccc(B(O)O)cc1 1795735000 HASGCZNZQPBTED-IVWMJMPLSA-N 469.694 -0.192 50 20 JBGD COc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)cc1N(C)C 1799208806 MGRWSVVEIKKQFY-OPMZPASUSA-N 467.331 -0.042 50 20 JBGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1csc3c1c(=O)n(C)c(=O)n3C)C2 1800976948 DOMTZPLHKYJBDW-UMPJEAMMSA-N 498.989 -0.315 50 20 JBGD CN(CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN(CCO)CCO)NC(=O)NCc1ccccc1 1801733208 BWTQQTLYAZVLRL-WKCHPHFGSA-N 490.605 -0.743 50 20 JBGD CN1N=C(C(=O)N2CC[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)CCC1=O 1807362244 JWROJAJVDCBVJF-UWJYYQICSA-N 463.303 -0.311 50 20 JBGD NNC(=O)c1ccncc1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H]1CCNC(=O)C1)CC2 1819800875 TUKJUSAEFZEGSH-GHMZBOCLSA-N 457.516 -0.106 50 20 JBGD N#Cc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)cc1 1829902433 RFJQPQBKQGAMJF-DEOSSOPVSA-N 463.299 -0.449 50 20 JBGD COc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1830227224 JVDZSZFAYOPRMG-DEOSSOPVSA-N 484.314 -0.476 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cn1nnc3ccccc31)CCO2 1832209181 OFBDBTDTPALRHI-JOCHJYFZSA-N 473.534 -0.739 50 20 JBGD O=C(CCCc1ccncc1)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1833055387 LQKLQVGEAJBBDZ-DEOSSOPVSA-N 467.331 -0.146 50 20 JBGD CC(C)N[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1)C(C)C 1835928027 BFICLJFTGPPBAF-NZQKXSOJSA-N 461.368 -0.541 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)c3onc4ccccc34)C2)C1 1835932244 WFNJVYFYYVCZSL-HSZRJFAPSA-N 465.271 -0.109 50 20 JBGD C[C@](Cl)(CCl)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](O)N3CCOCC3)CCO2)C1 1837520544 BNPLDTOKEYSKOA-WBAXXEDZSA-N 454.351 -0.670 50 20 JBGD COCc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)c1 1838517014 YLVMHSBSKMGWQA-QFIPXVFZSA-N 457.292 -0.775 50 20 JBGD COc1ccccc1OCC(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840183365 ZMGWVPWSBFWXFN-QHCPKHFHSA-N 478.546 -0.097 50 20 JBGD CO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN(C)NC(=O)NCc3ccccc3)C2)C1 1840210547 MIKWTVXDTGDTOL-FDDCHVKYSA-N 477.562 -0.176 50 20 JBGD CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)N1CC2(CCCN2C(=O)c2cnccc2C(=O)NN)C1 1844264025 VPRUOMZQHVONBU-YOEHRIQHSA-N 488.545 -0.128 50 20 JBGD O=C(NNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1)C(=O)NC1CC1 9889424 RICFYQXHYUJRCB-UHFFFAOYSA-N 466.516 -0.325 50 20 JBGD CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccccc1)C(=O)NNC(=O)c1ccccc1O 17576713 FGUXJZCJJYULGX-HNNXBMFYSA-N 455.514 -0.065 50 20 JBGD C[C@@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cnccc1C(=O)NN)C2)n1ccnn1 1781548000 MVOQNUJIACBAPK-AVBTWRTFSA-N 456.507 -0.335 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](O)NC(=O)OC(C)(C)C)CCO2 1783935645 WHONJZPSYFOXFQ-UZLBHIALSA-N 457.528 -0.968 50 20 JBGD C[C@@H](Oc1ccccn1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786982257 VHQGVVQXSHOTPV-LQJIQPLVSA-N 453.304 -0.178 50 20 JBGD CN(CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3nccn3)[C@H]2C1)NC(=O)NCc1ccccc1 1789972298 XRWOQAXQIHDAEQ-UFYCRDLUSA-N 484.561 -0.396 50 20 JBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C/C(=O)NCc1ccccc1 1792940981 OSOARHIKSZKUCX-BIEKLXDNSA-N 471.558 -0.178 50 20 JBGD CN(CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)C(=O)c1ccccc1 1793228257 VHPGPXIOSXCUFU-HATOLVCRSA-N 465.315 -0.658 50 20 JBGD CC(=O)Nc1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)n1 1794278853 IFMGTICBGODAQH-CWPLJXCYSA-N 452.276 -0.763 50 20 JBGD C[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795732972 VWHYGJHKGINBBV-SCNOPHJPSA-N 461.324 -0.517 50 20 JBGD CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2 1795894161 OSGAJQURTWRELK-OHQCYIMMSA-N 461.943 -0.454 50 20 JBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3c(n1)NC(=O)CC3)C2 1797750837 VAPGGZAFRVRJAY-HBCWATKFSA-N 479.497 -0.518 50 20 JBGD CN(CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncnn1C)C2)NC(=O)NCc1ccccc1 1799094767 JNLRXQILEUTRSC-IZZQQSIFSA-N 470.534 -0.636 50 20 JBGD O=C1C[C@H](C(=O)N2CC[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)CCN1 1807374819 OCBXCTJFWOVNFX-PLMTUMEDSA-N 450.304 -0.393 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1813071102 NDCRVCKHACEIEJ-XMSQKQJNSA-N 467.335 -0.546 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CN(C)C(=O)c1ccccc1)CCO2 1831149834 IBHQCGQYSAQYCW-DEOSSOPVSA-N 489.573 -0.412 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(O)ncn1)CCO2 1831732393 BBFPIPIXMVQGSV-NFCNUSAFSA-N 471.474 -0.614 50 20 JBGD COc1cnc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)c(F)c1 1833632142 VCWOEIPLTGWCAF-QFIPXVFZSA-N 488.476 -0.388 50 20 JBGD Cc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)cnc1C 1835927484 PKPXQVIPCBIFAT-QHCPKHFHSA-N 453.304 -0.238 50 20 JBGD O=C(CS[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835930206 BWPGWEDJJPFZQI-IRLDBZIGSA-N 478.376 -0.304 50 20 JBGD Cn1ncc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)c1Cl 1835938106 LKNUJQLRHJNDLA-HXUWFJFHSA-N 462.699 -0.863 50 20 JBGD C[C@H](Cn1cccn1)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837456918 PQXLSQCINUAXFT-ZHRRBRCNSA-N 471.518 -0.712 50 20 JBGD C[C@H](NC(=O)c1cnccn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)Br)C2)C1 1837610013 FVQZHESAGBGZIB-BIENJYKASA-N 484.351 -0.165 50 20 JBGD CCNC(=O)N[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1837919243 TUNSEERYVKFKFV-INIZCTEOSA-N 474.367 -0.314 50 20 JBGD Cn1ccc2c(O)ncc(C(=O)N3CCO[C@@]4(COCCN(C(=O)[C@@H](O)CCl)C4)C3)c21 1838433530 HISYCPKDANRBKR-YWZLYKJASA-N 452.895 -0.051 50 20 JBGD CN(CC(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cccn3)C2)C1)NC(=O)NCc1ccccc1 1839054405 XDRQXDYXYTUVNC-XMMPIXPASA-N 499.572 -0.314 50 20 JBGD CCOc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)c1O 1839426190 GNTCDGXPOGNNCC-XMMPIXPASA-N 484.314 -0.146 50 20 JBGD CC(=O)N1CCN(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(Cl)Cl)CCO3)CC1 1840188647 VMMVAWNIHJUKRT-GOSISDBHSA-N 451.351 -0.589 50 20 JBGD C[C@@H](Cc1ccco1)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1840469612 QTIVVGFBCYXYML-SBUREZEXSA-N 456.304 -0.092 50 20 JBGD C[C@H](CBr)C(=O)N1CC2(CCCN2C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)C1 1841984169 QRHIKOUPHPOUTO-GFCCVEGCSA-N 481.351 -0.332 50 20 JBGD CNC(=O)c1ccc(S(=O)(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1 15756073 UBEZJQQZVDYIMV-UHFFFAOYSA-N 482.540 -0.310 50 20 JBGD COC(=O)c1sc(S(=O)(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)c(C(=O)OC)c1C 28810516 UCGLRDYIYJSZDO-MRVPVSSYSA-N 454.504 -0.626 50 20 JBGD CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)CNC(=O)c2ccco2)cc1 751207362 WNQRSTWNWUNAKF-UHFFFAOYSA-N 451.461 -0.564 50 20 JBGD CNS(=O)(=O)c1ccc(S(=O)(=O)NNC(=O)c2sc(N3CCOCC3)nc2C)cc1 906410563 HLPBCPIOLWBELN-UHFFFAOYSA-N 475.574 -0.180 50 20 JBGD COc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 914652707 GREPQRYKMHHHQS-AAEUAGOBSA-N 487.918 -0.312 50 20 JBGD CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)o1 915141531 JGEZZWHGSFNDQM-NEPJUHHUSA-N 477.517 -0.809 50 20 JBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2)c1cn2cccnc2n1 1778990889 KWNDWHDPHBJAAQ-AUSIDOKSSA-N 463.303 -0.150 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1CCCCC1=O)C2 1782214507 TYGQODWBAVFERU-VGOFRKELSA-N 451.568 -0.114 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@]2(CCN(C(=O)CN(C)C(=O)C(=O)O)C2)C1 1782750120 VBWLDKNTDUUXNX-NRFANRHFSA-N 492.441 -0.493 50 20 JBGD COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1783850581 GNASBTLLYQNCTB-YCRNBWNJSA-N 456.304 -0.435 50 20 JBGD CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]2C1 1784092556 KDEXCZSMPHVUKC-QRJUGERDSA-N 463.959 -0.159 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21 1788611070 JNDBIQLFYXNFSQ-UAZLUECFSA-N 457.535 -0.250 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)N3CCCC3)C[C@@H]21 1791288076 VECABFJZTNTBKO-BZSNNMDCSA-N 451.568 -0.258 50 20 JBGD COC(=O)[C@@H]1CCC[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)C1 1795741086 YZTHVKHKJDWSHZ-VBRUWADQSA-N 458.320 -0.451 50 20 JBGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2n[nH]c3c2CS(=O)(=O)C3)[nH]n1)c1cccc(B(O)O)c1 1817475708 ZVJGXLHUMGFUIF-KRWDZBQOSA-N 498.330 -0.139 50 20 JBGD O=C(c1cc(=O)nc2sccn12)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830731465 JYYZJFFRNXQFAT-ACJLOTCBSA-N 456.908 -0.574 50 20 JBGD CC1CCN(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)CC1 1831106056 WEIIOQNYVXNRBA-HSZRJFAPSA-N 459.352 -0.832 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)c3cccc(=O)n3O)CC2)CC1)c1ccc(B(O)O)cc1 1834797296 BUOZQKNYCGUWIC-UHFFFAOYSA-N 468.319 -0.736 50 20 JBGD Cn1ccc(CC(=O)NC2CCN(C3CCN(C(=O)c4cccc(B(O)O)c4)CC3)CC2)n1 1834847001 VENLUEOSPUEIPM-UHFFFAOYSA-N 453.352 -0.472 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835682705 RXHPQBAKSLHCAG-NRFANRHFSA-N 452.556 -0.902 50 20 JBGD O=C(c1ccc2nonc2c1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835930764 YUTVYBZDACYIFP-JOCHJYFZSA-N 466.259 -0.714 50 20 JBGD Cc1cccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)n1 1837456882 ROPCLQKKVWKMEI-QHCPKHFHSA-N 468.514 -0.299 50 20 JBGD CCOc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)nn1 1837459410 FKEYNSPCGVKTRT-JOCHJYFZSA-N 485.501 -0.742 50 20 JBGD CCC[C@@H](NC(C)=O)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837460713 JRZHWIIVBHLNJR-GCJKJVERSA-N 476.534 -0.940 50 20 JBGD CCNC(=O)N[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1837919244 TUNSEERYVKFKFV-MRXNPFEDSA-N 474.367 -0.314 50 20 JBGD CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1839203367 JRPBTGMOWZCUEU-AUSJPIAWSA-N 479.958 -0.682 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(-n3cncn3)c1)CCO2 1839436548 YSSRVDNPHZGMQN-DEOSSOPVSA-N 491.313 -0.669 50 20 JBGD O=C(Cc1cc(F)ccc1F)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1840809964 HCVXNEBBCCVCRC-HSZRJFAPSA-N 474.269 -0.043 50 20 JBGD O=C(NNC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(-n2cnnn2)cc1 23159748 PKALABRCMGIRIJ-UHFFFAOYSA-N 457.472 -0.242 50 20 JBGD COCCNS(=O)(=O)c1ccc(C(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)cc1 24873216 UWVBCDWQWQYHDR-UHFFFAOYSA-N 459.484 -0.067 50 20 JBGD COc1cc(N2C[C@@H](C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)CC2=O)cc(OC)c1OC 729276256 AETUJXASEKKNKY-MNOVXSKESA-N 458.493 -0.850 50 20 JBGD O=C(CC[C@@H]1NC(=O)NC1=O)NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 913430476 CUDZESUEEPAUJJ-INIZCTEOSA-N 459.484 -0.086 50 20 JBGD COCCn1nccc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cnccc1C(=O)NN)C2 1778234066 XPXQHUGPXFOHER-AUSIDOKSSA-N 485.545 -0.031 50 20 JBGD CN1CC(C(=O)N2CCO[C@]3(CCN(C(=O)CN(C)NC(=O)NCc4ccccc4)C3)C2)C1 1780970765 YIVXWBWOTKUGPP-QHCPKHFHSA-N 458.563 -0.276 50 20 JBGD CN1CCCn2nc(C(=O)N3CC[C@]4(CN(C(=O)c5cccc(B(O)O)c5)CCO4)C3)cc2C1 1782562232 NYPMTVWTJDBLOM-HSZRJFAPSA-N 467.335 -0.844 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnn(-c4cccnc4)c3)C[C@@H]21)c1cccc(B(O)O)c1 1786984407 FEWNNWNDCYTFNU-HSQYWUDLSA-N 475.314 -0.146 50 20 JBGD CC(C)(C)OC(=O)N1CC[C@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795732992 UVWMETUUBZVDPV-NBMJBFSESA-N 473.335 -0.421 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(Cl)nc3n[nH]cc13)C2)c1ccc(B(O)O)cc1 1795734783 PVPXTIVMAZHOJV-IVWMJMPLSA-N 469.694 -0.192 50 20 JBGD C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1)[S@](=O)c1ccccc1 1795741420 WJXAMXSSFHYWSR-SUWCKCOHSA-N 470.356 -0.234 50 20 JBGD Cc1cc2nnc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)c3cnccc3C(=O)NN)c(C)n2n1 1797750574 JEOLPZHAIZBZKW-HBCWATKFSA-N 479.501 -0.743 50 20 JBGD CC(=O)N[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN(C)NC(=O)NCc1ccccc1)C2 1800535204 MMVKBBHQPCVGSR-RMYQPGKMSA-N 474.562 -0.553 50 20 JBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)O 1802150428 DECSCSGKHHRETN-WTLGNFPFSA-N 499.609 -0.387 50 20 JBGD O=C(NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)c1cnc(O)nc1O 1808277926 GLYVFCYRBFALRK-MAUKXSAKSA-N 463.259 -0.404 50 20 JBGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1)c1cc(CO)on1 1811589846 KYUIPNZPAKVKKL-OXJNMPFZSA-N 450.260 -0.125 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)CN2CC(=O)NC2=O)[C@H]1c1cccnc1 1813071036 OBPCGFUZNPYKCT-QRWLVFNGSA-N 459.507 -0.988 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@H]1CCc2nc(NC(=O)[C@@H](O)N3CCOCC3)sc2C1 1819883367 AHMXXWJTYISENC-FJGYPSPMSA-N 489.558 -0.160 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(F)nc1F)CCO2 1829528362 MDKZZGLZUIQNIS-OAQYLSRUSA-N 461.230 -0.577 50 20 JBGD CN1CCC(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)CC1 1830005329 KKSJVFCNEALZDT-QHCPKHFHSA-N 474.562 -0.513 50 20 JBGD COC(=O)NCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](CCl)NC(=O)OC(C)(C)C)CCO2 1832551793 RQAORRJDCCGYAH-VBKZILBWSA-N 492.957 -0.069 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc(OCF)cn3)CCO2)C1 1833569615 BFNMJCOGNSNPPG-NRFANRHFSA-N 489.464 -0.835 50 20 JBGD C[C@@H](C(=O)N1CCC(N2CCC(NC(=O)c3cccc(B(O)O)c3)CC2)CC1)n1ccccc1=O 1834801346 ZKJZTBLHNKTVSE-SFHVURJKSA-N 480.374 -0.026 50 20 JBGD O=C(c1ccc2n[nH]cc2c1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835928125 FKQMGVKABPYJNX-HSZRJFAPSA-N 464.287 -0.374 50 20 JBGD O=C(/C=C/c1cccc(O)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835932274 XNUPLBGRPFOYDV-QMASLXIKSA-N 466.299 -0.145 50 20 JBGD Cc1nc[nH]c1CSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835938073 IFOGZRCKOCRBQT-JOCHJYFZSA-N 488.375 -0.599 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cn3ccsc3n1)CCO2 1837051586 CMEAFRNMDMRHKR-FQEVSTJZSA-N 464.548 -0.161 50 20 JBGD C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1)N1CSCSC1 1837570211 GZODKPBKDUTCQM-HRAATJIYSA-N 495.432 -0.521 50 20 JBGD COc1nc(C)ccc1C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1838177621 CIPHWIHEPASLIF-QFIPXVFZSA-N 463.535 -0.158 50 20 JBGD CCc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)nn1C 1838273588 OEDGVULHYIVZNI-JOCHJYFZSA-N 456.308 -0.954 50 20 JBGD CN(CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1)NC(=O)NCc1ccccc1 1839054333 UOLKQBQXSKQPNF-XMSQKQJNSA-N 497.980 -0.611 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(CN(C(=O)CSCC(=O)O)CCO2)C1 1840192630 SHVNPYOIXMQXJZ-YRXLECQKSA-N 481.531 -0.605 50 20 JBGD CCOC(=O)N1CCC(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)CC1 1840816602 CBQJTRDAAKWMFT-OXQOHEQNSA-N 461.943 -0.089 50 20 JBGD N#Cc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1840819920 ODDKNTQHCCKMTR-XMMPIXPASA-N 494.508 -0.294 50 20 JBGD CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N1CCCC12CN(C(=O)c1cnccc1C(=O)NN)C2 1841298994 ZLMDOGVTEZKJDV-OAHLLOKOSA-N 462.507 -0.612 50 20 JBGD CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)CCN2C[C@H](C)O[C@@H](C)C2)cc1 912919263 KQFOLMRAOCVJMX-GJZGRUSLSA-N 469.564 -0.088 50 20 JBGD COCCn1cnc2c1c(=O)n(CC(=O)NNC(=O)[C@@H](C)n1cccn1)c(=O)n2Cc1ccccc1 918253321 OEWNTMGYXARZEI-MRXNPFEDSA-N 494.512 -0.341 50 20 JBGD O=C(CCCNS(=O)(=O)c1ccc2c(c1)OCCCO2)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 919886355 VUELRNLGOAWPGM-CYBMUJFWSA-N 490.560 -0.576 50 20 JBGD COC[C@H](NC(C)=O)C(=O)N1CC[C@]2(CN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)CCO2)C1 1779312363 GDLRNCLQNDKJRO-CCLIMJOLSA-N 462.507 -0.899 50 20 JBGD CN(CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc(O)n(C)n1)CCO2)NC(=O)NCc1ccccc1 1780968590 HOTYIDTYJJWSBA-HSZRJFAPSA-N 485.545 -0.085 50 20 JBGD COc1ccc(C(=O)N2CC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)c(O)c1OC 1781825383 IJCLOOOHEGPABD-QHCPKHFHSA-N 470.287 -0.154 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CCO[C@]2(CCN(C(=O)CN(CCO)CCO)C2)C1 1783251385 JCESMSUOGOYKBV-KKSFZXQISA-N 493.001 -0.765 50 20 JBGD Cn1c(=O)n(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)c2ccccc21 1786979793 RBOOOGGKLPHYJA-JLMWRMLUSA-N 492.341 -0.687 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](N)Cc3cscn3)[C@H]2C1 1787398712 SMEYMINGLMBUGT-JUKXBJQTSA-N 473.559 -0.695 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC3(O)CCCCC3)[C@H]2C1 1788632124 AJIITPHWRDHTOK-VDGAXYAQSA-N 469.542 -0.023 50 20 JBGD C[C@@H](NC(=O)c1ccccc1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1792248244 YVUZLTTYSFOSRO-XEHJXZTKSA-N 479.342 -0.222 50 20 JBGD CC(C)Cc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)n(C)n1 1796015850 KPMCLHZBAWCAHP-UPHUGPLXSA-N 454.336 -0.185 50 20 JBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(-n3cnnc3)cc1)C2 1797750788 SWSCEPLGYHGFFF-CWPLJXCYSA-N 476.497 -0.217 50 20 JBGD CN1CCN(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(B(O)O)c3)CC2)CC1 1827059415 OWRIFNGXDBVZQN-QFIPXVFZSA-N 456.396 -0.153 50 20 JBGD C[C@@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(=O)n4[nH]cnc4n3)C2)C1 1830537133 CADYEEGGAQSVSS-KPZWWZAWSA-N 483.323 -0.481 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(CN(C(=O)COc3ccccc3)CCO2)C1 1834952642 PPZWJTZZODQZSN-HSZRJFAPSA-N 469.498 -0.166 50 20 JBGD COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)c(C#N)c1 1835930995 BTIMHEMSLOHTBZ-VWLOTQADSA-N 493.325 -0.441 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc4ccccn34)C2)C1 1837459159 KKQABTHESSCXLX-HSZRJFAPSA-N 479.497 -0.283 50 20 JBGD C[Si](C)(C)OCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1837711803 QUPPRBRDHFUXMU-FQEVSTJZSA-N 450.373 -0.712 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCC(OC2CCN(C(=O)[C@@H]3CCCS3(=O)=O)CC2)CC1 1838740046 GPQYCRLPWMJXSI-SFHVURJKSA-N 472.608 -0.065 50 20 JBGD CN(C)c1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)c1 1838924065 DCMDQWRIJXZATO-XMMPIXPASA-N 467.331 -0.184 50 20 JBGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(=O)nc4cccnn34)C2)C1 1840154259 QMBJNHQDPXLXGN-VLIAUNLRSA-N 465.894 -0.587 50 20 JBGD C[C@H](Oc1ccccn1)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1840424334 ITEHWXNUTQYVJW-GAJHUEQPSA-N 469.303 -0.701 50 20 JBGD O=C(OCCO)c1ccccc1C(=O)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843014385 FNLLQOWPSRKMLL-UHFFFAOYSA-N 452.272 -0.354 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC12CN(C(=O)[C@H](C)NC(=O)c1cnccn1)C2 1843416216 MKDUNXMSZQXLMB-TXLFSUKISA-N 466.502 -0.068 50 20 JBGD C#CCNS(=O)(=O)c1ccc(C(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)cc1 26772740 DWARTFXEVCMWAR-UHFFFAOYSA-N 478.552 -0.012 50 20 JBGD COCCn1cnc2c1c(=O)n(CC(=O)NNC(=O)c1ccnn1C)c(=O)n2Cc1ccccc1 748830487 APSMHSQKEJVYBD-UHFFFAOYSA-N 480.485 -0.751 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)c3cccc4c3NC(=O)C4=O)C2)C1 1778714098 MMIZQASVDWMDJN-JOCHJYFZSA-N 457.487 -0.362 50 20 JBGD CCOc1cnc(C(=O)N2CCO[C@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)cn1 1779028359 JWFMHDPYRGKQOH-NRFANRHFSA-N 455.475 -0.369 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C[C@H](O)CNC(=O)OC(C)(C)C)[C@H]2C1 1789936033 SQEZNAIBZUBTBE-XSLAGTTESA-N 499.609 -0.385 50 20 JBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@]1(NC(=O)OC(C)(C)C)CCOC1 1799333579 LEHNYTJIVBHWRP-QIEVIBBNSA-N 497.593 -0.367 50 20 JBGD COC(=O)[C@H]1CCC[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)C1 1800964261 KZKVYZBJTNLLQQ-CBNQQXHVSA-N 458.320 -0.451 50 20 JBGD Nc1n[nH]c(CCC(=O)N2CC[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)n1 1807362454 VOOIMZALGKTUDR-OXJNMPFZSA-N 463.307 -0.586 50 20 JBGD O=C1C[C@H](C(=O)N2CC[C@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)CCN1 1807368019 PKYKOLRCDHBNEW-HGHGUNKESA-N 450.304 -0.393 50 20 JBGD NC(=O)c1nccnc1C(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1811185011 OKRYXCROERZVCS-JXFKEZNVSA-N 474.286 -0.716 50 20 JBGD CCOC(=O)N[C@H](O)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 1828760139 SWKBHGJUKXBTKB-RBUKOAKNSA-N 461.324 -0.336 50 20 JBGD Cc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)n(-c2cccc(=O)n2C)n1 1830722349 AMPFWJULBJPOJU-VGOFRKELSA-N 493.948 -0.451 50 20 JBGD CCOC(=O)c1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)ccn1 1830730880 FLZDIMGICAMZTF-OXQOHEQNSA-N 455.895 -0.072 50 20 JBGD CCCNC(=O)CCC(=O)NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1833424122 SDLQNLALDHFCGV-UHFFFAOYSA-N 472.395 -0.142 50 20 JBGD CCS(=O)(=O)N[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](O)CCl)CC2)CC1 1833449392 XJQSNZPUZDHQNG-BBRMVZONSA-N 453.005 -0.515 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(N2CCC(NC(=O)[C@@H](N)CN)CC2)CC1 1835067851 ULYUORJZKFHZNR-IBGZPJMESA-N 476.534 -0.009 50 20 JBGD COc1cncc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)c1 1835927489 PWZBBYATCRAHOM-DEOSSOPVSA-N 483.330 -0.527 50 20 JBGD O=C(CCCc1cccnc1)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835940030 UEBWRAJGKKNKIK-DEOSSOPVSA-N 467.331 -0.146 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)N1C[C@H]3C[C@H]3C1)CCO2 1837284239 QRZWTBOHYSFESN-NMLVNAMSSA-N 486.573 -0.083 50 20 JBGD C[Si](C)(C)OCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1837711347 FETLDNWBMYTWSO-FQEVSTJZSA-N 450.373 -0.712 50 20 JBGD Cc1n[nH]c(C)c1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1837805146 GKHYCCBOUDXYMK-OAQYLSRUSA-N 457.491 -0.591 50 20 JBGD COC[C@H](NC(C)=O)C(=O)N1CCC(OC2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1837921216 NDBLGDQQMFAYMQ-NRFANRHFSA-N 475.351 -0.870 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3ccnn3)C2)C1 1838528111 FXUANQAMSHVXSW-OAQYLSRUSA-N 488.457 -0.118 50 20 JBGD Cc1cccc(C)c1NC(=O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1839157122 JXXIIGJEBNEGDY-VWLOTQADSA-N 495.341 -0.308 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc3c1NC(=O)C3)CCO2 1839574529 OUMUZSHAPKYBRY-QHCPKHFHSA-N 473.530 -0.376 50 20 JBGD COc1ccccc1C(=O)N1CC(C(=O)N2CC3(CCCN3C(=O)c3cccc(B(O)O)c3)C2)C1 1843013020 ZBRSRARLIVPDQJ-UHFFFAOYSA-N 477.326 -0.036 50 20 JBGD COCCOCCOCCOCC(=O)N1CCCC12CN(C(=O)c1cnccc1C(=O)NN)C2 1846257061 XYOHBAQGQRLPPE-UHFFFAOYSA-N 479.534 -0.802 50 20 JBGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 1317819684 DPMMFNJELQTHNY-OLZOCXBDSA-N 471.561 -0.915 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(CCN(C(=O)c3nc(O)n4c3CCCC4)C2)C1 1779344827 UQCVVIIZYVCUFP-JOCHJYFZSA-N 469.502 -0.319 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3Cc4ccccc4O3)C[C@@H]21)c1ccc(B(O)O)cc1 1786979801 RFEVXKLHFFAZPV-BZNRXQDOSA-N 450.300 -0.037 50 20 JBGD CN1CCN(C2(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)c5cnccc5C(=O)NN)C[C@@H]43)CC2)CC1 1789807431 GAGABODBIPMLAH-VDGAXYAQSA-N 485.589 -0.942 50 20 JBGD CN(CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccnn1C)NC(=O)NCc1ccccc1 1794785873 QEORPQITPSAEHS-RMFSNUHRSA-N 469.546 -0.031 50 20 JBGD COC(=O)CSCC(=O)N[C@@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815350524 XFFYFMGJHODRDL-CYBMUJFWSA-N 463.346 -0.045 50 20 JBGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1)c1cc2n(n1)CCNC2=O 1816623573 BPYXYZJBRLWTHV-KRWDZBQOSA-N 477.290 -0.351 50 20 JBGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(=O)c3cccnc3)CCO2)C1 1832731312 DYTIKADSGRVJDZ-JXFKEZNVSA-N 454.911 -0.478 50 20 JBGD COc1cccnc1CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1832862956 OSDSZAWYCQEMEH-XMMPIXPASA-N 483.330 -0.527 50 20 JBGD Cc1nccnc1C(=O)NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1836012473 BCWNDPLOHFTVCM-UHFFFAOYSA-N 451.336 -0.036 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(CN(C(=O)c3ccn4nccc4c3)CCO2)C1 1837160304 INHLKFWWBCVBOC-QHCPKHFHSA-N 479.497 -0.283 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ccc[nH]3)C2)C1 1837457528 IHWIKOJSTPSLDY-JOCHJYFZSA-N 456.503 -0.284 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4nncn4c3)C2)C1 1837458993 HARYHDXALBQPNW-JOCHJYFZSA-N 480.485 -0.888 50 20 JBGD CCOC(=O)N[C@H](O)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@](C)(Cl)CCl)CCO2 1839153222 WPHOEFBJHVDVJZ-CSMYWGQOSA-N 456.323 -0.256 50 20 JBGD C[C@H](CS(C)(=O)=O)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839199699 ZMYRMMWJIJXWBH-TYNCELHUSA-N 459.334 -0.186 50 20 JBGD C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840183098 QNPPGQXSBXASDR-AOMKIAJQSA-N 485.582 -0.271 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ncc(Cl)cn3)C2)C1 1840183403 CGQUFMUWMQPNEL-LJQANCHMSA-N 454.915 -0.427 50 20 JBGD CC(C)(C)OC(=O)N1C[C@]2(C(=O)N3CCCC34CN(C(=O)c3cccc(B(O)O)c3)C4)C[C@H]1CO2 1845078271 QKMZOBGEDVQPOH-UUOWRZLLSA-N 485.346 -0.038 50 20 JBGD Cc1nc(S(=O)(=O)NCCC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)cn1C 725877973 CGAAKVNCGAPTOD-UHFFFAOYSA-N 498.587 -0.357 50 20 JBGD CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NNC(=O)C(=O)N1CCCC1 748246503 BKBVXVHKJFKGKP-CQSZACIVSA-N 494.979 -0.809 50 20 JBGD CN(C)S(=O)(=O)c1c[nH]c(C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c1 915240606 XMUWWTZDMVJTHO-HNNXBMFYSA-N 452.445 -0.591 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)c3ccc(-n4cccn4)nc3)C2)C1 1779688680 JLFTWZMBFIYCJC-HSZRJFAPSA-N 461.287 -0.296 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](N)c3ccccn3)[C@H]2C1 1786869456 QGMBLABTTGFPBJ-ZAUBIYILSA-N 453.503 -0.627 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3C[C@@]34C(=O)Nc3ccccc34)C[C@@H]21)c1ccc(B(O)O)cc1 1786983082 IQEUPIYVKCVGBW-GHVLPECXSA-N 489.337 -0.130 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)N3CCN(C)CC3)C[C@@H]21 1787507793 UPOPSJBMXNEKBS-HVVFYZQTSA-N 487.605 -0.264 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3C(=O)C=CC3=O)C[C@@H]21 1787508420 WTKXMMJUADCMOS-RPIBGLMYSA-N 470.486 -0.975 50 20 JBGD CC[C@H](NC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN(C)NC(=O)NCc1ccccc1 1799094670 DEEIQDYLMJVNSZ-JTJHWIPRSA-N 460.579 -0.080 50 20 JBGD CCOC(=O)c1ncn2c1CC[C@@H](C(=O)N[C@@H]1[C@H]3COC[C@@H]1CN(C(=O)[C@H](O)CCl)C3)C2 1800325245 QTEVKVRGASZIKV-BDLOOMQFSA-N 468.938 -0.189 50 20 JBGD Cc1nc[nH]c1CSCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C 1801011585 PBNAMHJRUUSZKJ-YVWYUNDQSA-N 452.581 -0.086 50 20 JBGD O=C(Cc1cc(F)ccc1[N+](=O)[O-])N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1802093893 QUTFAUKKHWMJPV-VPTLXERWSA-N 471.250 -0.140 50 20 JBGD CC(=O)NC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1803591507 GVJOHMOKCFJSMJ-UYAOXDASSA-N 452.320 -0.004 50 20 JBGD N=C1NCCN1CC(=O)NC[C@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1807116891 XTKUWQBGYBYBQC-DNVCBOLYSA-N 465.518 -0.760 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@H]1CCN(C(=O)[C@@H]2C[C@H](O)CN2)[C@@H]1c1cccnc1 1808416155 FZXCXWFEDPPVOK-BHMFRREZSA-N 467.530 -0.056 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)CN2CC(=O)NC2=O)CC1 1824973098 YYLRDINASIVPRX-INIZCTEOSA-N 450.540 -0.469 50 20 JBGD NC[C@H](N)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCN2C(=O)OCc1ccccc1 1828551467 PNWRTXMLRWTXBY-XGHQBKJUSA-N 467.954 -0.676 50 20 JBGD O=C(CCC(=O)N1CCCC1)NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1833698440 ARNJDHXMQFWFRI-UHFFFAOYSA-N 484.406 -0.046 50 20 JBGD CN(CC(=O)N1CCOC[C@]2(CN(C(=O)CC#N)CCO2)C1)NC(=O)NCc1ccccc1 1834766060 USOWFHPYJXIOJW-QFIPXVFZSA-N 458.519 -0.297 50 20 JBGD COC(=O)[C@@H]1CC=CC[C@H]1C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835933916 INZWPXWCEBBDKA-YOSAUDMPSA-N 486.330 -0.808 50 20 JBGD COc1ncc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)cc1C 1835935320 OKXCQYKOJXWJBC-QHCPKHFHSA-N 469.303 -0.538 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCc4ccccc4O3)C2)C1 1835940204 YZKBOHWTDRCRIV-RDGATRHJSA-N 480.326 -0.170 50 20 JBGD O=C(CCc1cccnc1)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1836178054 CPPGDJWCILCIRY-HSZRJFAPSA-N 453.304 -0.536 50 20 JBGD C[C@H](Nc1ccccn1)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1837743631 PJNAKOIOQYEJTE-QMHKHESXSA-N 483.529 -0.349 50 20 JBGD C[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(=O)nc4cccnn34)CCO2)C1 1838503236 JPLTUJWCWYDCIF-ORAYPTAESA-N 480.319 -0.057 50 20 JBGD N#Cc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)c1 1838907123 AMHLNNOPXZJFBI-HSZRJFAPSA-N 464.482 -0.059 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCCS1(=O)=O)CCO2 1839781785 FCWQMAQKDBQPJO-WPWRZWQBSA-N 495.558 -0.846 50 20 JBGD Cc1nc[nH]c1CSCC(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840184559 VJTCBHQSWMISMQ-NRFANRHFSA-N 482.607 -0.219 50 20 JBGD C[C@H](C(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)N1C(=O)NC2(CCCC2)C1=O 726523796 YTWBNIDCYIKFPU-GFCCVEGCSA-N 451.505 -0.049 50 20 JBGD COc1cc2c(cc1OC)[C@H](CC(=O)NNC(=O)C1=NN(C)C(=O)CC1)N(S(C)(=O)=O)CC2 761414142 DCXULXGIGRPTPF-HNNXBMFYSA-N 481.531 -0.292 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)CNC(=O)c3cccs3)CCO2)C1 1779028822 PDXQPPBNLIATHA-OAQYLSRUSA-N 472.527 -0.380 50 20 JBGD Cc1ccc(=O)n(C(C)(C)C(=O)N2CC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)n1 1779234186 CAVVNGVYUMDLEL-HSZRJFAPSA-N 468.319 -0.890 50 20 JBGD CN(CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)COCCO)C1)NC(=O)NCc1ccccc1 1780766694 NKZOUVIUTMFHLN-HYBUGGRVSA-N 491.589 -0.145 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc4nn[nH]c4c3)C2)C1 1782581450 HTRZNUBMWORVRU-OAQYLSRUSA-N 450.459 -0.286 50 20 JBGD CCNC(=S)NCC(=O)N1CC[C@]2(C1)CN(C(=O)/C(C)=N/NC(=O)c1ccc[nH]1)CCO2 1782644528 WGBSBZVHDHHREY-PGLVWIQMSA-N 463.564 -0.566 50 20 JBGD Cc1nc[nH]c1CSCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786984003 JRDRKBCCCVINSS-QRFRQXIXSA-N 472.376 -0.075 50 20 JBGD O=C(C[C@@H]1COc2ccccc2O1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1793267128 NLEULGHOYFITIA-PDPLOHQNSA-N 466.299 -0.200 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc3c(c1)OCO3)C2)c1ccc(B(O)O)cc1 1795734315 DDHGEBPGMSVCSZ-FAQVEIGNSA-N 452.272 -0.459 50 20 JBGD CN(C)c1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)nc1 1797749739 MEPTWYNRMNXZHF-HBCWATKFSA-N 453.503 -0.337 50 20 JBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cncn1-c1ccncc1)C2 1797749860 ZGRHUXCQTWLBIW-YVWYUNDQSA-N 476.497 -0.217 50 20 JBGD COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2 1800799770 HNBUBZCHVRQGKP-RGHULWKBSA-N 477.942 -0.368 50 20 JBGD CCNC(=S)NCC(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807365384 IWNOZNHKZCMEJQ-PXNSSMCTSA-N 469.376 -0.435 50 20 JBGD O=C(NC[C@H]1CCN(C(=O)c2cc(=O)n3[nH]cnc3n2)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807370379 CDEWRSKLCYZANP-OXQOHEQNSA-N 487.285 -0.874 50 20 JBGD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H]1CCCS1(=O)=O)CC2)c1ccc(B(O)O)cc1 1815348120 DYXYLUPAOSUWDL-BBRMVZONSA-N 463.346 -0.374 50 20 JBGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)Cn2ccncc2=O)[nH]n1)c1cccc(B(O)O)c1 1817477289 QNDTZAFRXRKXOY-KRWDZBQOSA-N 450.264 -0.348 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)CN(CCO)CCO)CC1 1828923880 DLZRUMOBQLTWEJ-FQEVSTJZSA-N 476.578 -0.795 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H](O)N2CCOCC2)CC1 1828924321 PTGVFODBZWCOJC-AUSIDOKSSA-N 474.562 -0.431 50 20 JBGD C[C@@H](NNc1ccccc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1829806142 BLSKTQYNSKXIIH-KOSHJBKYSA-N 482.346 -0.558 50 20 JBGD CNC(=S)NCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)CBr)CCO2 1830541101 XRPVCMQAGGEXBJ-SUMWQHHRSA-N 465.414 -0.042 50 20 JBGD CS(=O)(=O)Cc1ncccc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830724869 IXTRKDDKXWTWRY-LPHOPBHVSA-N 475.951 -0.704 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1COc3ccccc3O1)CCO2 1832493513 RPEIKOPBUAGLGX-URXFXBBRSA-N 482.298 -0.724 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccnc1OCC1CC1)CCO2 1833625302 NACDZYICJOBCQF-RUZDIDTESA-N 495.341 -0.066 50 20 JBGD CN(C)c1ncc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)o1 1833902870 LMZITYOKEMLDQF-NRFANRHFSA-N 473.490 -0.877 50 20 JBGD Cc1cnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)cn1 1834084280 FITKRYHIUJSTJE-OAQYLSRUSA-N 455.475 -0.833 50 20 JBGD O=C(CCBr)N1CCO[C@@]2(COCCN(C(=O)c3cc(=O)nc4cccnn34)C2)C1 1834823695 DJZMYWMBBVRVQN-IBGZPJMESA-N 480.319 -0.056 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1)c1nc[nH]c1[N+](=O)[O-] 1835100607 FBEWLMKODXJPIU-UHFFFAOYSA-N 470.295 -0.503 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CN(C)C(=O)OC(C)(C)C)CCO2 1835212786 OXLHHRYAFHYPDI-JOCHJYFZSA-N 485.582 -0.317 50 20 JBGD NC[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1)c1ccccc1 1835935919 XFKKHWYTHIHKTA-XUZZJYLKSA-N 467.331 -0.821 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837531129 WWPHWOPPXUMETK-QEPGBGQSSA-N 469.539 -0.655 50 20 JBGD CCCC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1837679936 XQFKADXRFNFORS-IIBYNOLFSA-N 455.556 -0.879 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCC(OC2CCN(C(=O)Cn3ccncc3=O)CC2)CC1 1838394568 LCBPXSQCIOGMKR-UHFFFAOYSA-N 483.529 -0.446 50 20 JBGD Cc1c(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)cn2[nH]cnc(=O)c12 1838469006 XMZLIKBMOMWDFZ-IFXJQAMLSA-N 453.883 -0.999 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)CCO2 1839413688 OEXSDPXWUCTVMB-JOCHJYFZSA-N 485.258 -0.636 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])o3)C2)C1 1840183196 UIIUOBJCMBXVNX-IBGZPJMESA-N 453.452 -0.369 50 20 JBGD NC(=O)[C@H]1CC(C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)=NN1c1ccc(F)cc1 728314320 NZNQNKRJZSTUJZ-CRAIPNDOSA-N 485.428 -0.224 50 20 JBGD Cc1c(/C=C(\C#N)C(=O)OCC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)cc(C#N)n1C 913286981 PLVJIWIEEXITTJ-JIARHERNSA-N 459.528 -0.013 50 20 JBGD O=C(CS(=O)(=O)Cc1cccc(Br)c1)NNC(=O)[C@@H]1CCS(=O)(=O)C1 919839275 JAYGZULNRNIBDT-LLVKDONJSA-N 453.336 -0.054 50 20 JBGD COc1ncc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)cc1F 1779028540 MRMPERIVYDSQTM-OAQYLSRUSA-N 458.450 -0.015 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)[C@@H]3CC(c4ccccc4)=NN3)C2)C1 1782600105 OJNDNWATVSZPAS-URXFXBBRSA-N 462.315 -0.424 50 20 JBGD COC[C@@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)CCO2)C1 1783883009 BYLIPMNAFXMCQJ-CKNLXJGOSA-N 476.958 -0.161 50 20 JBGD C[C@H](C(=O)N1CC[C@]2(CN(C(=O)CN(C)NC(=O)NCc3ccccc3)CCO2)C1)n1cnnn1 1784598936 YHFBYAXXQOERII-VGSWGCGISA-N 485.549 -0.590 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccccc3-n3nccn3)C[C@@H]21)c1ccc(B(O)O)cc1 1786981851 MSNLVAJGGLWDRW-XJABCFGWSA-N 475.314 -0.146 50 20 JBGD C[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21)[C@@H]1SC(=N)NC1=O 1787499146 VLWGVCFMKPEHIJ-RVFOSREFSA-N 468.580 -0.858 50 20 JBGD C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](Cc1ccc(B(O)O)cc1)NC(=O)OC(C)(C)C 1796458872 KNOIAVLJPRJLEP-NZGUISNBSA-N 485.346 -0.975 50 20 JBGD O=C1CC[C@H](C(=O)N2CC[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)CN1 1807358837 ABHHATYBEHSWII-WFXMLNOXSA-N 450.304 -0.393 50 20 JBGD CN1CCN(CC(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1827052086 NYWPHUWHGCZPNN-JOCHJYFZSA-N 456.396 -0.153 50 20 JBGD C[C@@H](NNc1ccccc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1829809444 VVMYHIUXGQUWNO-OSPHWJPCSA-N 497.556 -0.240 50 20 JBGD Cc1cn(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)CCl)CCO3)c(=O)nc1O 1830370888 SJEMUMDMEIGBFQ-HXUWFJFHSA-N 456.927 -0.021 50 20 JBGD C[C@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CC(=O)NC3=O)CCO2)C1 1832471960 RIOHKMRLNIPUTF-PXAZEXFGSA-N 461.313 -0.974 50 20 JBGD Cc1ccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)nc1 1832991433 OGIPDJHQPPZTOR-DEOSSOPVSA-N 467.331 -0.227 50 20 JBGD CC(C)c1nc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)co1 1833343170 RWVFMDOFQAQYLS-QFIPXVFZSA-N 457.292 -0.138 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](N)CN)CC2)CC1 1833726652 BOOFKDJEOIYZAD-IRXDYDNUSA-N 475.034 -0.024 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)c3cc4n(n3)CCCC4)C2)C1 1835936883 HSLZITWRENCLRF-QHCPKHFHSA-N 468.319 -0.717 50 20 JBGD C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1840089551 UFIKLDVQCYOHIB-MWTRTKDXSA-N 491.350 -0.650 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC12CN(C(=O)c1n[nH]c3c1CS(=O)(=O)C3)C2 1843415745 IPSICQZJYZEELH-WSDLNYQXSA-N 473.515 -0.211 50 20 JBGD NS(=O)(=O)c1cc(C(=O)NNC(=O)Cn2c(O)nc3ccccc3c2=O)ccc1Cl 915188651 IFSDJWBCLNDVGK-UHFFFAOYSA-N 451.848 -0.136 50 20 JBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)NCc2ccc(S(N)(=O)=O)cc2)c1 915884634 MTPQWAJDXOHQKS-UHFFFAOYSA-N 455.518 -0.272 50 20 JBGD CC(=O)NCC(=O)NNC(=O)Cn1c(=O)c2c(ncn2CC(C)C)n(Cc2ccccc2)c1=O 920504204 ROSNTIKUATWHBV-UHFFFAOYSA-N 469.502 -0.653 50 20 JBGD 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C[C@@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2)N1CCN(C)CC1 1780639960 WLLJZKHVCZVDGP-SNYIIPAISA-N 472.395 -0.870 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3(O)CCCCC3)C[C@@H]21)c1cccc(B(O)O)c1 1786984007 JVTLUAAGERHEOZ-JBACZVJFSA-N 454.332 -0.342 50 20 JBGD Cc1cc(C)n2ncc(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)c5ccc(B(O)O)cc5)C[C@@H]43)c2n1 1787907614 AKLZTHRZOLDWAM-YYWHXJBOSA-N 477.330 -0.067 50 20 JBGD O=C1CN(CC(=O)NC2(c3ccc(NC(=O)c4ccc(B(O)O)cc4)cc3)CCC2)C(=O)N1 1788140383 VXDXOUVMLKEFSN-UHFFFAOYSA-N 450.260 -0.334 50 20 JBGD CCC[C@H](NC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1 1788611394 XAWAJFJYDAFCMP-QZHFEQFPSA-N 460.535 -0.417 50 20 JBGD CN(CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CNC(=O)O3)C[C@@H]21)NC(=O)NCc1ccccc1 1789724699 LHTQKIJNALVWPU-VJANTYMQSA-N 488.545 -0.579 50 20 JBGD CC(C)(C)OC(=O)N1CC(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)C1 1795739218 RAGLTVZAVLJNRG-IZZQQSIFSA-N 473.335 -0.564 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)nc(O)n1 1796357147 URBLGCVTDFCMGT-TWMUSIFYSA-N 457.447 -0.775 50 20 JBGD CCNC(=O)N[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C(C)=N/NC(=O)c1ccc[nH]1)C2 1797696862 BFVFCKLRNOIEPE-NOZVUNNQSA-N 461.523 -0.582 50 20 JBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cn3ccsc3n1)C2 1797751646 LHPOVDCBEXZQRI-DRXBFXEBSA-N 455.500 -0.089 50 20 JBGD Cn1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)c(C(F)(F)F)n1 1798107944 UDSUBMNVVJWRIF-YWVIFJGQSA-N 466.225 -0.364 50 20 JBGD CS(=O)(=O)c1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)cc1F 1801868936 DPNGJZQGTBJAOT-CWPLJXCYSA-N 490.318 -0.574 50 20 JBGD CS(=O)(=O)CCC(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807368269 RMPUDKCJOCMTET-YLJYHZDGSA-N 459.333 -0.484 50 20 JBGD O=C([C@H](O)N1CCOCC1)N1CCC([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827051990 LIESLLUMXBOXOY-OFNKIYASSA-N 459.352 -0.750 50 20 JBGD O=C(CCc1ccccn1)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1833184905 KWTUHCBGUKYWPI-HSZRJFAPSA-N 453.304 -0.536 50 20 JBGD COc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)n1 1833763716 VPPOPRHNALPRCQ-QFIPXVFZSA-N 455.276 -0.846 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)c3cnccc3Cl)C2)C1 1835930761 YOVSRXUAOMUESE-OAQYLSRUSA-N 459.695 -0.201 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3cncnc3)CCO2)C1 1836053446 XUUUAGUBLYUSTJ-RQFMOZSRSA-N 483.529 0.000 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3Cc4ccccc4N3)C2)C1 1837460188 XDGGKXWXVDTQMO-GBXCKJPGSA-N 480.525 -0.208 50 20 JBGD C[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1 1840035571 WGUNAEPYVHZIBB-ACJLOTCBSA-N 487.307 -0.004 50 20 JBGD Cc1ncc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)s1 1840399502 RUKOYLGTVNYCRL-OAQYLSRUSA-N 459.333 -0.556 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1CCSCC1)CCO2 1840925490 YDHBKYQNJWTVMC-OAQYLSRUSA-N 463.560 -0.102 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CCCC12CN(C(=O)[C@@H](O)N1CCOCC1)C2 1841924761 YBAJWOQAYSTLLE-GOEBONIOSA-N 460.959 -0.028 50 20 JBGD O=C(Cc1ccccn1)NNC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 731362528 FQMMYOIGQWJRDI-UHFFFAOYSA-N 474.499 -0.298 50 20 JBGD CS(=O)(=O)NCCNC(=O)NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 916294883 VNOJBNFZFONZRA-UHFFFAOYSA-N 469.545 -0.342 50 20 JBGD COc1ccc([C@H](O)C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)cc1 1786982347 ZFRVMFJKTFSSGK-MQGJPIDWSA-N 468.315 -0.298 50 20 JBGD Cc1ccc(=O)n(C(C)(C)C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)n1 1786984290 ZKIMQSCEDBNDMR-IHPCNDPISA-N 482.346 -0.740 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COc3ccc(O)nn3)C[C@@H]21 1787507756 PYNQVEKDVURUAW-RPIBGLMYSA-N 485.501 -0.325 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nc4ncccn4n3)[C@H]2C1 1787937872 REXBRDRMCVJXAG-AGJPEOOQSA-N 479.501 -0.148 50 20 JBGD Cn1c(=O)n(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)c2ccccc21 1788138250 IJIWQKLFEJXUNS-JLMWRMLUSA-N 492.341 -0.687 50 20 JBGD CC(C)n1cnc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cnccc4C(=O)NN)[C@H]3C2)n1 1788610435 RSBCLIAVPQFARA-JQFCIGGWSA-N 456.507 -0.235 50 20 JBGD COc1cccc(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)n1 1797748627 NIKQLLQHQZMMTJ-USGNIVHTSA-N 468.514 -0.075 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)CCS(C)(=O)=O)[C@H]1c1cccnc1 1813577444 UFIDVQUUGOFCSZ-OXQOHEQNSA-N 453.565 -0.105 50 20 JBGD COc1cc(N2CCC(C(=O)N3CCO[C@@]4(COCCN(C(=O)[C@H](O)CCl)C4)C3)CC2)ncn1 1830957455 JIMZRYQLFCDWPR-VGSWGCGISA-N 497.980 -0.242 50 20 JBGD C[C@H](CS(C)(=O)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCBr)C2)C1 1831455094 YARONHDTOUXXLM-CZUORRHYSA-N 455.371 -0.092 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)CCN3CCOCC3)CC2)CC1)c1ccc(B(O)O)cc1 1834797817 AARWHNZXLVYPBU-UHFFFAOYSA-N 472.395 -0.726 50 20 JBGD COc1ccc(OCC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)cc1 1835926005 GZNXTEZSAWREPM-DEOSSOPVSA-N 484.314 -0.476 50 20 JBGD O=C(Cc1cccnc1Cl)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835935670 YWJXPLPANNHJRV-QFIPXVFZSA-N 473.722 -0.273 50 20 JBGD O=C(c1ccn2ccnc2c1)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835937414 UXBYLSQZWUDYLC-QHCPKHFHSA-N 464.287 -0.602 50 20 JBGD O=C(Cc1noc2ccccc12)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1835979901 CKOHAZYMOSZTBM-XMMPIXPASA-N 479.298 -0.180 50 20 JBGD C[C@H](C(=O)NC1CCN(C2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1)N1CCN(C)CC1 1836372420 FFAKPOCWZWQLSX-LJQANCHMSA-N 479.670 -0.433 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc4nc[nH]c4c3)CCO2)C1 1836932585 ZVUJEAVRUMGJTD-QHCPKHFHSA-N 479.497 -0.055 50 20 JBGD C=CC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C2)C1 1837697297 LWNSYZPRIWVFNN-OHAJKSNRSA-N 474.518 -0.733 50 20 JBGD Cc1csc(CC(=O)NNC(=O)COC(=O)C2CCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)n1 728733802 QFALQEPJTXPCQL-UHFFFAOYSA-N 498.587 -0.173 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2nc[nH]c2[N+](=O)[O-])C1 1778059931 SIGUNSTWMVMRGG-JLTOFOAXSA-N 472.462 -0.242 50 20 JBGD COCCOCCOCCOCCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1781380117 KMBFAKVXJMYORG-PXNSSMCTSA-N 466.959 -0.498 50 20 JBGD O=C(CNC(=O)c1cccs1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1785333151 QFSFWBDIBJPXDV-SZMVWBNQSA-N 471.344 -0.549 50 20 JBGD O=C(C[C@@H]1CNc2ccccc2O1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1797676268 TUKOMGYYMYVJKG-PDPLOHQNSA-N 465.315 -0.167 50 20 JBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1ON=C(c3ccccc3)O1)C2 1797751919 ZLOSRXXZKBSPFI-JVXPPLNDSA-N 480.481 -0.377 50 20 JBGD CN(CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCn1ccnn1)C2)NC(=O)NCc1ccccc1 1799099122 OTCSKYKOOXBSFE-HATOLVCRSA-N 484.561 -0.396 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@@]12C(=O)Nc1ccccc12 1800765667 MNMXFRLZAZUQGS-JQVVIGKDSA-N 490.520 -0.202 50 20 JBGD CCS(=O)(=O)N[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1803508734 KKWSMOCZNBPTKC-ZTNFWEORSA-N 488.375 -0.591 50 20 JBGD O=C(NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807367512 ZNIXZQMJOJICGT-UZLBHIALSA-N 498.395 -0.059 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@H]1CCN(C(=O)Cn2ccncc2=O)[C@H]1c1cccnc1 1810305950 RGBFFPLGYDIWNK-IERDGZPVSA-N 476.497 -0.343 50 20 JBGD CS(=O)(=O)CCC(=O)NC[C@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1813574292 ACXCHKAAUWHYOA-BEFAXECRSA-N 474.543 -0.166 50 20 JBGD CN1Cc2ccccc2C[C@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1832468869 SUDLTNLVSUAXIZ-OZXSUGGESA-N 493.369 -0.507 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=N)N)C2)C1 1832549478 RBDPCNXHWMZYQV-DJJJIMSYSA-N 476.962 -0.942 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCC(N2CCC(NC(=O)[C@@H]3CCC(=O)NC3)CC2)CC1 1833121969 AFIVWWCUAKVVFX-MRXNPFEDSA-N 450.584 -0.543 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnnc(Cl)c1)CCO2 1833210642 VJZWHBROPLMLCU-IBGZPJMESA-N 454.915 -0.427 50 20 JBGD C[C@H](C(=O)NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1)n1ccccc1=O 1835826550 VPEPIDIEQRBEIH-GOSISDBHSA-N 480.374 -0.026 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCc4ccccc4O3)C2)C1 1835932102 NTYMWEIHORLUDT-RDGATRHJSA-N 480.326 -0.170 50 20 JBGD O=C1Cc2cc(C(=O)N3CCO[C@]4(COCCN(C(=O)c5ccc(B(O)O)cc5)C4)C3)ccc2N1 1836787216 MZHATJKMOOSKEO-DEOSSOPVSA-N 479.298 -0.755 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccc(F)cc3)C2)C1 1837457102 VTVOTKCREJODET-HSZRJFAPSA-N 487.488 -0.027 50 20 JBGD CCOc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)c1O 1839426198 HBGGCOYDGFCWCN-XMMPIXPASA-N 484.314 -0.146 50 20 JBGD C[C@H](NNc1ccccc1)C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840182583 GIMSCZXYFOEJES-MBSDFSHPSA-N 476.578 -0.179 50 20 JBGD O=C([C@@H]1[C@@H](O)CCN1Cc1ccccc1)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843012228 QLCOSPWTJDCSJK-VXKWHMMOSA-N 463.343 -0.181 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCCC12CN(C(=O)[C@]1(O)CCN(C(=O)OC(C)(C)C)C1)C2 1846386244 QSBCEBDLJRGMLA-QFIPXVFZSA-N 467.567 -0.065 50 20 JBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)Cn2c(=O)[nH]c(=O)c3ccccc32)cc1 10471188 DZKUPKVDYVKJAH-UHFFFAOYSA-N 459.484 -0.534 50 20 JBGD O=C(NNS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@@H]1COc2ccccc2O1 916108727 UYSAGHVBBUJGQE-SFHVURJKSA-N 483.524 -0.143 50 20 JBGD C[C@@H](Nc1cnccn1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2 1779388535 CRVWMOFGDIYHFT-ZDWFVDTJSA-N 467.335 -0.216 50 20 JBGD CC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)CN(C)NC(=O)NCc3ccccc3)C2)C1 1780968731 PGTOMJRLOXOYGX-UZUQRXQVSA-N 474.562 -0.313 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@H]1NC(=O)NC1=O 1793943014 ATMKSVTXBUASLZ-ABXQLRGKSA-N 489.441 -0.679 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)C1=NN(c2ccccc2)C(=O)C1 1796481074 NAUBPTASPMBWHV-FAQVEIGNSA-N 476.298 -0.638 50 20 JBGD C[C@H]1Oc2ccc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)c3cnccc3C(=O)NN)cc2NC1=O 1797753222 ZJXAINXNZVGCQF-ZCQATVAHSA-N 494.508 -0.079 50 20 JBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc(O)c3ccn(C)c13)C2 1801011778 BIKRRXFCZJTANR-HBCWATKFSA-N 458.519 -0.145 50 20 JBGD CC(C)(C)OC(=O)N1CC(F)(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)C1 1802198249 IXCXUWDSKINOHD-ALXJQNPVSA-N 491.325 -0.471 50 20 JBGD CCS(=O)(=O)CC(=O)NC[C@@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1803512858 MHMABKWIWPOPLX-HNAYVOBHSA-N 474.543 -0.166 50 20 JBGD CC(=O)N(C)CCC(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807369832 XFATZGAVQGZAPL-SIKLNZKXSA-N 452.320 -0.051 50 20 JBGD CN(C)NC(=O)CCC(=O)N[C@H]1CCc2nc(NC(=O)c3cc(=O)n4[nH]cnc4n3)sc2C1 1815333503 OMYQGEGCUAQJAY-JTQLQIEISA-N 473.519 -0.527 50 20 JBGD O=C(CN1C(=O)CSC1=S)N[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815347606 GLSNIHFNKODEJX-GFCCVEGCSA-N 490.397 -0.091 50 20 JBGD CC(=O)OC[C@H](OC(C)=O)C(=O)N[C@H]1CCc2nc(NC(=O)CCC(=O)NN(C)C)sc2C1 1826088024 NSRKCPMPNWRNFJ-ZFWWWQNUSA-N 483.547 -0.077 50 20 JBGD O=C1NCCn2nc(C(=O)N3CCCC[C@H]3C3CCN(C(=O)c4ccc(B(O)O)cc4)CC3)cc21 1826196739 AVBAMJXRTODDJN-FQEVSTJZSA-N 479.346 -0.147 50 20 JBGD C[Si](C)(C)OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CN1CCS(=O)(=O)CC1)CCO2 1832487992 UAOTYTLRPWSHSB-LJQANCHMSA-N 477.656 -0.975 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(CN(C(=O)COc3cccnc3)CCO2)C1 1832676287 JOLFNKHRLAQWTE-QFIPXVFZSA-N 470.486 -0.771 50 20 JBGD CC(C)c1nc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)no1 1832787736 MSHVTIYRRCEDHP-JOCHJYFZSA-N 472.307 -0.815 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)CCc3ncc[nH]3)CC2)CC1)c1cccc(B(O)O)c1 1834801458 LOCHBHPUVWWELF-UHFFFAOYSA-N 453.352 -0.093 50 20 JBGD COc1ccc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)cn1 1835927010 BKQFLFKBGCVGAB-XMMPIXPASA-N 483.330 -0.527 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)C(F)(F)c3ccco3)C2)C1 1835932339 ZYSWKFQRSKAVJW-HXUWFJFHSA-N 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O=C(NC1CCN(C2CCN(C(=O)[C@@H](F)Br)CC2)CC1)[C@H](O)N1CCOCC1 1835766678 MSMPSHIEJKUUJY-QAPCUYQASA-N 465.364 -0.101 50 20 JBGD Cc1cc(/C=C/C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)no1 1835930270 GJGRBLGJGVRBOI-XYXUZSOXSA-N 455.276 -0.554 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)c3cccn4ccnc34)C2)C1 1835930483 JJPLDSCAWQTEOH-HSZRJFAPSA-N 464.287 -0.602 50 20 JBGD CCc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)cn1 1835935066 DZROYHAUOKFPIS-QHCPKHFHSA-N 453.304 -0.292 50 20 JBGD CC(=O)Nc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)cc1 1836661079 CBEBTRJVKFXXKF-VWLOTQADSA-N 495.341 -0.363 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCC(OC2CCN(C(=O)c3ccnnc3O)CC2)CC1 1837919130 HWALRVVDOTXADT-UHFFFAOYSA-N 454.292 -0.212 50 20 JBGD NC(=O)c1nccnc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1838330534 JEMQSWQIFKHYRW-WBMJQRKESA-N 460.260 -0.664 50 20 JBGD O=C(CC12CCCN1CCC2)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1839117570 UKBTZMGTTNHHTI-DEOSSOPVSA-N 471.363 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INNMWTMHILIIEN-JOCHJYFZSA-N 471.323 -0.903 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)c1cccc3ccnn13)CCO2 1839497776 HYJHIHIOJGSGOW-QHCPKHFHSA-N 464.287 -0.602 50 20 JBGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)Cn1nc2ccccn2c1=O 896289022 OZNMESIVARAHJC-UHFFFAOYSA-N 488.526 -0.703 50 20 JBGD CCS(=O)(=O)N1CCC(C(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)(c2ccccc2)CC1 919886224 QMDVOUDGCWLCDG-INIZCTEOSA-N 472.589 -0.113 50 20 JBGD CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779029559 UHGUSJZXHHRXLF-OPAMFIHVSA-N 492.533 -0.986 50 20 JBGD O=C(COc1cc(Cl)ccn1)N1CC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1779228777 CAEPIUYWPWVNDB-OAQYLSRUSA-N 459.695 -0.063 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc3c(n1)NC(=O)CC3)CCO2 1783933905 LZFDVSVSBQZPBK-JOCHJYFZSA-N 458.519 -0.217 50 20 JBGD C[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1)[C@H]1SC(=N)NC1=O 1791290912 DKKZFOMPYPBXGO-PYXYIPKBSA-N 468.580 -0.858 50 20 JBGD CC(C)(C)OC(=O)N1C[C@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(B(O)O)cc2)[C@@H](O)C1 1796188457 IIFJHJIDRGIMJV-WPVAHCMFSA-N 487.362 -0.154 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H]1CCc3nc(O)nc(O)c3C1)C2 1798440805 UFKODPLEPORYLI-FQUUOJAGSA-N 481.513 -0.057 50 20 JBGD C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1802481194 HIJDVCWIJRDVEN-JENHRLMUSA-N 462.315 -0.061 50 20 JBGD O=C(CSc1nc[nH]n1)N[C@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815347895 VVPQCVCLYJOONM-LBPRGKRZSA-N 458.334 -0.041 50 20 JBGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CN2CCS(=O)(=O)CC2)[nH]n1)c1ccc(B(O)O)cc1 1817471320 UWJPYYZLKIYIFJ-SFHVURJKSA-N 489.363 -0.874 50 20 JBGD C[C@H](Cn1cncn1)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cccc(B(O)O)c1)CC2 1820064821 BDLQCCXYXHCMDH-DOMZBBRYSA-N 454.321 -0.024 50 20 JBGD CN(C)NC(=O)CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(=O)n3[nH]nnc3n2)[nH]n1 1822414302 RKVBRNPRSQVZNU-ZDUSSCGKSA-N 471.482 -0.785 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 1828926292 CYSPUCWTTPJXII-OAQYLSRUSA-N 479.346 -0.088 50 20 JBGD C[C@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN(C)C(=O)C(=O)O)C2)C1 1830543902 HECALVBMVBLXLA-SJKOYZFVSA-N 464.313 -0.983 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)c3cnn4ncccc34)CC2)CC1)c1ccc(B(O)O)cc1 1834798520 GEPXQJCSMJNODY-UHFFFAOYSA-N 476.346 -0.092 50 20 JBGD CN(C)c1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)cn1 1835931069 FDWCGOPECQOSIR-HSZRJFAPSA-N 468.319 -0.789 50 20 JBGD NC[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1)c1ccccc1 1835935921 XFKKHWYTHIHKTA-ZJSXRUAMSA-N 467.331 -0.821 50 20 JBGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(CS(C)(=O)=O)nc3)CCO2)C1 1836380686 BBNNAIDNEWOPPM-YLJYHZDGSA-N 489.978 -0.050 50 20 JBGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](COC(C)=O)OC(C)=O)CCO2 1837502134 JAQBRTUGMJISIS-FRQCXROJSA-N 464.899 -0.809 50 20 JBGD O=C(CCn1cncn1)N1CCC(OC2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1837921098 ZKAOUYDDOQTXPH-UHFFFAOYSA-N 455.324 -0.340 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(N(C)C)nc3)C2)C1 1840184820 BAXLHTPXTOXQFT-QFIPXVFZSA-N 462.551 -0.409 50 20 JBGD Cc1ccc(=O)n(C(C)(C)C(=O)N2CCCC23CN(C(=O)c2cnccc2C(=O)NN)C3)n1 1844354112 UZDXMMOTAIUBIE-UHFFFAOYSA-N 453.503 -0.197 50 20 JBGD NS(=O)(=O)c1cc(C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)ccc1F 728328960 ZYQDIIOUBUIPFE-AWEZNQCLSA-N 453.404 -0.383 50 20 JBGD O=C(COC(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)NNC(=O)[C@@H]1COc2ccccc2O1 845918998 RNOHDRUVPDUKJG-CMPQPOROSA-N 455.423 -0.676 50 20 JBGD NS(=O)(=O)c1ccc(CCC(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1 917244282 MHVHDWUTRKSEOV-KRWDZBQOSA-N 463.468 -0.203 50 20 JBGD COC(=O)N(C)CC(=O)NNC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1S(C)(=O)=O 920436510 QLPJQFQQMMMXHI-AWEZNQCLSA-N 472.520 -0.202 50 20 JBGD C[C@H](NC=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CN(C)NC(=O)NCc2ccccc2)C1 1780559566 SEWSCYXKVKZFGH-MFSJNOQSSA-N 488.589 -0.019 50 20 JBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2)[C@@H]1CCCS1(=O)=O 1781652358 AZGJIAOZTXQRSR-WAOWUJCRSA-N 464.349 -0.929 50 20 JBGD C[C@](O)(CC(=O)O)CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2 1782204567 PKVAMEHRFKDTNY-ZPMCFJSWSA-N 462.308 -0.890 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1nc3ncccn3n1)C2 1782214230 ISZFZTKKEQMANJ-QVKFZJNVSA-N 458.523 -0.375 50 20 JBGD COC(=O)[C@@H](CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2)NC(=O)OC(C)(C)C 1783784628 ZGJFHDABTWWFRB-JZKQVHKSSA-N 477.942 -0.128 50 20 JBGD COC[C@@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)Cc3csc4c3c(=O)n(C)c(=O)n4C)CCO2)C1 1783883797 YTDGBQSASWBUTG-SPLOXXLWSA-N 498.989 -0.075 50 20 JBGD COc1cccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)n1 1786982721 FSRLDAWOOZJJSH-VDGAXYAQSA-N 453.304 -0.394 50 20 JBGD O=C(CNC(=O)c1cccs1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1794116216 AIOGJNPYAVKANR-CCWDJLKJSA-N 457.317 -0.939 50 20 JBGD C[C@H](Oc1cccnc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797754430 WYHRCILSPDPHNV-ZTENYAIWSA-N 454.487 -0.249 50 20 JBGD CN[C@H](CC(=O)NC[C@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1)C(=O)O 1807208657 YIBFUVHDJOXVTN-BJZITVGISA-N 469.502 -0.538 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCCC2(CCN(C(=O)c3n[nH]c4c3CS(=O)(=O)C4)CC2)C1 1809977860 KEDKYQRTOQLQQB-UHFFFAOYSA-N 486.359 -0.324 50 20 JBGD CNC(=S)NCCC(=O)NC[C@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1810308862 CSECGIGFHSQNOD-BEFAXECRSA-N 484.586 -0.116 50 20 JBGD CC(=O)OC[C@@H](OC(C)=O)C(=O)N[C@@H]1CCc2nc(NC(=O)CCC(=O)NN(C)C)sc2C1 1826088023 NSRKCPMPNWRNFJ-UKRRQHHQSA-N 483.547 -0.077 50 20 JBGD CN(CC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C)COC1)CCO2)NC(=O)NCc1ccccc1 1830034619 VYGNFTIIHHBIKY-DEOSSOPVSA-N 489.573 -0.175 50 20 JBGD CC(=O)N1CCN(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)CBr)CCO3)CC1 1830540015 LIOBXJRJLBWNBX-UZLBHIALSA-N 489.411 -0.362 50 20 JBGD COc1ccccc1C(=O)N1CC(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)C1 1830719247 AZYPTKOBUBOPFQ-JPYJTQIMSA-N 495.960 -0.177 50 20 JBGD CC(C)(C)OC(=O)N[C@H](CCN)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](O)CCl)CCO2)C1 1830723893 STDLWUPCUQUNBZ-SIFCLUCFSA-N 478.974 -0.715 50 20 JBGD O=C(c1ccc(N2C(=O)C=CC2=O)cc1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830737177 BSWOFOMXJHLGPW-VGSWGCGISA-N 477.901 -0.214 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=N)N)CCO2)C1 1835569320 MOLHEUUHZXJSAA-ORAYPTAESA-N 476.962 -0.942 50 20 JBGD Cn1ccc(=O)cc1C(=O)N1CCC(N2CCC(NC(=O)c3cnccc3C(=O)NN)CC2)CC1 1835738199 XTLSCUOMQWARDS-UHFFFAOYSA-N 481.557 -0.117 50 20 JBGD CC(C)c1nc(C(=O)N2CCOC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)co1 1835934988 AYJBPHNMZWTHSJ-QFIPXVFZSA-N 457.292 -0.138 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1)c1ccnc2c1OCO2 1836092804 QSLUHMQVKOZPMK-UHFFFAOYSA-N 480.330 -0.011 50 20 JBGD CN(CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cn1cccn1)CCO2)NC(=O)NCc1ccccc1 1836172307 MLNLYOCAPAMNOM-XMMPIXPASA-N 499.572 -0.314 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)c1cc3cn[nH]c3cn1)CCO2 1837197140 GKCDRGVOEVMLLU-QFIPXVFZSA-N 465.275 -0.979 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)C3CC(F)(F)C3)C2)C1 1837457125 XZZPKWUEHCPQJS-IBGZPJMESA-N 453.446 -0.200 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4nn[nH]c4c3)C2)C1 1837459947 PGRZTPLOBPSVEL-JOCHJYFZSA-N 480.485 -0.660 50 20 JBGD Cc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)ncc1[N+](=O)[O-] 1840184440 MSCQCAQDPSAEKO-OAQYLSRUSA-N 478.506 -0.259 50 20 JBGD COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840185045 KARVGVLHSVAYGB-YZZKKUAISA-N 480.562 -0.429 50 20 JBGD CC(C)(C)OC(=O)N1C[C@H](C(=O)N2CCCC23CN(C(=O)c2ccc(B(O)O)cc2)C3)[C@@H](O)C1 1845105243 HMNVXMQGELAZMK-ROUUACIJSA-N 473.335 -0.589 50 20 JBGD CSCC[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)N1CC[C@H](B(O)O)C1 864233154 HJXXDYXMLYDKQE-WMZOPIPTSA-N 499.420 -0.366 50 20 JBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)c1 913465080 CZNSEMFTNKDYDX-UHFFFAOYSA-N 465.513 -0.452 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@]2(CCN(C(=O)C3(N4CCN(C)CC4)CC3)C2)C1 1781110356 UXEYBROOZUQTTQ-ZCBHOAFYSA-N 485.589 -0.270 50 20 JBGD CS(=O)(=O)c1ccc(F)c(C(=O)N2CC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)c1 1782151805 KBCNFXYDIGROIY-JOCHJYFZSA-N 490.318 -0.334 50 20 JBGD COc1cncc(CCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)c1 1785265648 WTMNRHOZWYYXSJ-NYVOZVTQSA-N 467.331 -0.004 50 20 JBGD Cc1cn2c(=O)c(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)c5ccc(B(O)O)cc5)[C@H]4C3)cnc2s1 1786979892 XSOTXXHCHHNXQK-SNRMKQJTSA-N 496.354 -0.349 50 20 JBGD COC(=O)c1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cnccc4C(=O)NN)C[C@@H]32)cn1 1787604524 AHTDMEPUQAXECM-FNHZYXHNSA-N 482.497 -0.226 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1ccccc1-n1nccn1 1790166798 SFODYMDVDIOHIY-XJABCFGWSA-N 475.314 -0.146 50 20 JBGD CC(C)[C@@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN(C)NC(=O)NCc1ccccc1)C2 1793078470 OOZFPTGQBXWCCT-KOUHRCEDSA-N 461.563 -0.061 50 20 JBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(OCCCO)cc1)C2 1797753111 SZIORVMAGHAEHE-UPHUGPLXSA-N 483.525 -0.037 50 20 JBGD C[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)N1CSCSC1 1797842749 YADVOHAPUQMWIM-SCNOPHJPSA-N 465.406 -0.387 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN(CCO)CCO 1800579815 ATPLOYVNUTZXRI-VPTLXERWSA-N 494.501 -0.990 50 20 JBGD CN1CCN(CC(=O)N2CC[C@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)CC1 1807363885 QCLJWUWRUHCXDM-NFBKMPQASA-N 465.363 -0.672 50 20 JBGD O=C(NC[C@H]1CCN(C(=O)CSc2nc[nH]n2)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807375873 VXBNZXOZSFNVTA-VQIMIIECSA-N 466.332 -0.009 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@H](CNC(=O)COc2ccc(O)nn2)[C@@H]1c1cccnc1 1812351905 OZBOXSFDVKODIL-BTYIYWSLSA-N 492.496 -0.026 50 20 JBGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)[C@@H]1CCCS1(=O)=O)CC2)c1cccc(B(O)O)c1 1815360493 RHZQVLCUAONMTR-CJNGLKHVSA-N 463.346 -0.374 50 20 JBGD Cc1cccnc1CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1832775979 IBMURPUPEYWOOJ-XMMPIXPASA-N 467.331 -0.227 50 20 JBGD O=C(Cn1cc([N+](=O)[O-])cn1)NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1833785074 FULUTSVVGWUWTR-UHFFFAOYSA-N 484.322 -0.644 50 20 JBGD O=C1NCCn2nc(C(=O)N3CCO[C@]4(COCCN(C(=O)[C@@H](F)Br)C4)C3)cc21 1834563716 JIHAFMUDESOBIU-CXAGYDPISA-N 474.287 -0.613 50 20 JBGD N[C@@H](Cc1cscn1)C(=O)NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1835048936 GHZRGNMJVZMBIV-NRFANRHFSA-N 485.419 -0.422 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1)c1cc2n(n1)CCCO2 1835568725 RDXOAOGZWHXLPN-UHFFFAOYSA-N 481.362 -0.156 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)c3cccn4cncc34)C2)C1 1835930194 ATGCVBKLOLQXAO-QHCPKHFHSA-N 464.287 -0.602 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)c3ccccc3Cl)C2)C1 1835933513 AWVPHOQFHFAEKM-OFNKIYASSA-N 488.733 -0.177 50 20 JBGD O=C(c1cnc2snnc2c1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835938182 OUHCLGIVTFZQRX-OAQYLSRUSA-N 483.315 -0.850 50 20 JBGD CC(=O)Nc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)cc1 1836662995 YHOFPFMNEWTKPQ-VWLOTQADSA-N 495.341 -0.363 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)c1cc3cccnc3[nH]1)CCO2 1837005398 ADDAHPOARXFEBA-QHCPKHFHSA-N 464.287 -0.374 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](CN)c3ccccc3)C2)C1 1840184219 XBTMLJNGUPENLQ-XXBNENTESA-N 461.563 -0.442 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1[C@H]3COC[C@H]31)CCO2 1840607944 XGPLYKRCHKSAQG-XFANBUJNSA-N 459.503 -0.531 50 20 JBGD Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NNC(=O)CNC(=O)c1ccco1 751211602 JBLKDFRJFQRPDG-UHFFFAOYSA-N 450.473 -0.200 50 20 JBGD COCCNS(=O)(=O)c1ccc(C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1 811837717 AKHLWDZUKJPOEQ-GOSISDBHSA-N 493.494 -0.245 50 20 JBGD O=C(CCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 920212849 VXPRUPPNMSROGA-SNVBAGLBSA-N 488.466 -0.229 50 20 JBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2)c1cnn2c1OCCC2 1781260674 LRSRDWODDNRCHD-AUSIDOKSSA-N 468.319 -0.213 50 20 JBGD N#C/C(=C\c1ccc(F)cc1F)C(=O)N1CCO[C@]2(CCN(C(=O)CN(CCO)CCO)C2)C1 1783261291 CAHQBOKTNDJPHO-KUDIEGTJSA-N 478.496 -0.012 50 20 JBGD COC[C@H](NC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](CCl)NC(=O)OC(C)(C)C 1793880259 VRSVKKSNKDJMQQ-QEOTZNIISA-N 490.985 -0.141 50 20 JBGD CC(=O)Nc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)ccn1 1795734206 JKHSBBBVDOOJBW-XEMDLRDOSA-N 452.276 -0.763 50 20 JBGD C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2)n1cccc1C=O 1795750517 XHCYGALNUCYFFU-BKEDOTJMSA-N 454.487 -0.237 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2 1796441491 LEFLPJKZTMNXAN-HAUZGWTQSA-N 458.435 -0.345 50 20 JBGD CC[S@](=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C(C)=N/NC(=O)c1ccc[nH]1 1796441890 DEVOPZYSSNSRNV-DQKZURJJSA-N 451.549 -0.131 50 20 JBGD CC(=O)N[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN(C)NC(=O)NCc1ccccc1 1799097185 HMKILCKCMSLPCS-RMYQPGKMSA-N 474.562 -0.553 50 20 JBGD CCNC(=S)NCC(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807365381 IWNOZNHKZCMEJQ-FXAWDEMLSA-N 469.376 -0.435 50 20 JBGD NC[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1)c1ccccc1 1835817337 VFQXDVCHIAYCLL-NTKDMRAZSA-N 482.541 -0.502 50 20 JBGD CO[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1)c1ccccc1 1835935861 VEAGQFUDIMEDFJ-XUZZJYLKSA-N 468.315 -0.176 50 20 JBGD O=C(C1=NO[C@H](c2ccccc2)C1)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1836588300 WPXOWBSVBZWFKA-DHLKQENFSA-N 493.325 -0.046 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(CN(C(=O)c3cc4cccnc4[nH]3)CCO2)C1 1837008153 QRVLRZYJCRMACQ-HSZRJFAPSA-N 479.497 -0.055 50 20 JBGD Cc1ccn(C)c1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1838819637 PVTHAGQOVHTWMV-JOCHJYFZSA-N 456.503 -0.284 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(-c4ccccn4)nc3)C2)C1 1840183406 CLESMNGQCZYSNV-DEOSSOPVSA-N 497.556 -0.018 50 20 JBGD CN1CCCn2nc(C(=O)N3CCOC[C@]4(CN(C(=O)CCC(=O)NN(C)C)CCO4)C3)cc2C1 1840184773 BDLBMXQMDRHHLT-QHCPKHFHSA-N 491.593 -0.838 50 20 JBGD Cc1cn(CC(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)CCl)C3)C2)c(=O)nc1O 1840806348 VGJVKCQCWFOKDX-HXUWFJFHSA-N 456.927 -0.021 50 20 JBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 729276085 WSYIHAZRXLXCSA-RYUDHWBXSA-N 450.514 -0.689 50 20 JBGD O=C1CN(S(=O)(=O)c2ccc(C(=O)NNC(=O)c3csc(N4CCOCC4)n3)cc2)CCN1 914460014 JAWGLPRFRLCRLE-UHFFFAOYSA-N 494.555 -0.825 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)C(=O)Nc3cccnc3)CCO2)C1 1779032393 QBQWEZYLPONDEA-OAQYLSRUSA-N 453.459 -0.838 50 20 JBGD CC[C@@H](NC(N)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C(C)=N/NC(=O)c3ccc[nH]3)[C@H]2C1 1787509041 QQPKUTZKCJVFFY-CGEVSQDCSA-N 461.523 -0.453 50 20 JBGD C[C@@H](O)[C@H](NC(=O)c1ccccc1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(B(O)O)cc1)C2 1792877578 KHBPAJSANMXBAF-JLMLEOCNSA-N 479.342 -0.202 50 20 JBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 1793208977 XGFMYFCIIDANHH-MTXNFPGFSA-N 485.585 -0.002 50 20 JBGD CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1793629788 DHWBOZSGYBEFNL-UKBAYJJMSA-N 473.335 -0.421 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1793881194 UJLMBOABVVQPBA-MVJTYMMSSA-N 495.769 -0.298 50 20 JBGD CC(C)(C)OC(=O)N[C@H](CCN)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(B(O)O)c1)C2 1796029826 FDUANMSYCZKDLS-FCGDIQPGSA-N 474.367 -0.140 50 20 JBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CC(c3ccccc3)=NN1)C2 1797754230 YZNODCFVNKKHBC-GQSCTRQFSA-N 477.525 -0.346 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1ccncc1=O 1800199284 PBIYZACGWOIHNO-USGNIVHTSA-N 485.453 -0.020 50 20 JBGD CC(C)CNC(=O)C(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1808443914 NPXSRWTWCZAKHU-UYAOXDASSA-N 452.320 -0.147 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H](CNC(=O)[C@@H](O)N2CCOCC2)[C@H]1c1cccnc1 1810353167 GKUOWILGFWRFJC-ZDWFVDTJSA-N 483.529 -0.950 50 20 JBGD CN(C)C(=O)NCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cnccc2C(=O)NN)[nH]n1 1814561040 IZDYNUAEVQYVFK-OAHLLOKOSA-N 457.495 -0.015 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)[C@@H](O)CCl)CC2)CC1)c1n[nH]c2c1CS(=O)(=O)C2 1834912369 KLLXEHPHFOAARG-INIZCTEOSA-N 473.983 -0.377 50 20 JBGD N=C(N)SCC(=O)N1CCC(N2CCC(NC(=O)c3cnccc3C(=O)NN)CC2)CC1 1835736734 GARQDVGRLHRDTD-UHFFFAOYSA-N 462.580 -0.503 50 20 JBGD Cn1nc(C(=O)N2CCC(N3CCC(NC(=O)c4cnccc4C(=O)NN)CC3)CC2)cc1O 1835736915 ADAVHCVNCQWLEV-UHFFFAOYSA-N 470.534 -0.377 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)c3cc(O)ccc3F)C2)C1 1835931918 HADNUJWNUTWRMD-JOCHJYFZSA-N 458.251 -0.405 50 20 JBGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3n[nH]c4c3CS(=O)(=O)C4)CCO2)C1 1836259894 OWKPAVZDMKQIDS-FZKQIMNGSA-N 476.939 -0.838 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1Cc3ccccc3O1)CCO2 1836647497 JBGLMVKJXASIEH-ZJSXRUAMSA-N 466.299 -0.560 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/c3cnc[nH]3)C2)C1 1837461286 SLVWPCHLYNAKGW-WODVNSBQSA-N 455.475 -0.808 50 20 JBGD O=C(Cn1ccccc1=O)N1CCC(OC2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1837919432 RGZVYUCLBQFZLA-UHFFFAOYSA-N 467.331 -0.160 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839202985 VWKCBVIUOQCLKD-HOCLYGCPSA-N 453.309 -0.494 50 20 JBGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)C[C@](C)(O)CC(=O)O)C2)C1 1840036777 QZFCYTHRUZQMAH-ZLIFDBKOSA-N 451.314 -0.158 50 20 JBGD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1840880196 BOOZOZUASOHHNP-CZDPRXMLSA-N 498.297 -0.733 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3ON=C(c4ccccc4)O3)C2)C1 1778873661 SYESPIVTSIQVNN-PKTZIBPZSA-N 480.481 -0.137 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C(=O)Nc2cccnc2)C1 1779488488 KHJMDFRVQRXEDR-WZONZLPQSA-N 481.513 -0.154 50 20 JBGD COc1nccnc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21 1785646924 PAEPYPRAPBFICS-RCBQFDQVSA-N 455.475 -0.609 50 20 JBGD C[S@](=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)CCl 1792975590 VYKDBZABALZARO-XCDSRHENSA-N 496.026 -0.162 50 20 JBGD C[C@@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnccc1C(=O)NN)C2)[C@@H]1SC(=N)NC1=O 1796880907 MYUVTYXRHFUGJW-OVKLUEDNSA-N 459.532 -0.261 50 20 JBGD O=C1COc2ccc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)c3cccc(B(O)O)c3)C4)cc2N1 1797449969 JVDVMMPQHFVPDR-VPTLXERWSA-N 465.271 -0.786 50 20 JBGD CN(CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc[n+]([O-])cc1)C2)NC(=O)NCc1ccccc1 1799097635 RHCOSEHMIZZADY-VTYHHJSWSA-N 482.541 -0.131 50 20 JBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1c(=O)n(C)c3ccccc31)C2 1801011517 MPBVKHVBHNUTBA-MFKICJERSA-N 472.546 -0.697 50 20 JBGD CN1CCN(CC(=O)NC[C@H]2CCN(C(=O)c3cnccc3C(=O)NN)[C@@H]2c2cccnc2)CC1 1809599810 MZYXOMNPYJFTBV-XMSQKQJNSA-N 480.573 -0.353 50 20 JBGD O=C1NC(=O)[C@@H](CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)N1 1825070227 AUWSTXPRMDPWPO-QZTJIDSGSA-N 456.308 -0.802 50 20 JBGD O=C1NCCn2nc(C(=O)N3CCCC[C@H]3C3CCN(C(=O)c4cccc(B(O)O)c4)CC3)cc21 1826198218 WTVZDGJORVBUKO-FQEVSTJZSA-N 479.346 -0.147 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)c3cc(=O)nc4cccnn34)CC2)CC1)[C@@H](O)CCl 1833311927 GDIRGLCMMSULFE-KRWDZBQOSA-N 462.938 -0.126 50 20 JBGD CN1CCN(C2(C(=O)N3CCC(N4CCC(NC(=O)[C@@H](O)CCl)CC4)CC3)CC2)CC1 1833313509 IPSTYYPZXIOTBC-IBGZPJMESA-N 456.031 -0.062 50 20 JBGD C[C@H](C(=O)NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1)N1C[C@H]2C[C@@H]2C1 1835669731 LYWCVQBETHITAB-MISYRCLQSA-N 468.407 -0.108 50 20 JBGD COc1cccc(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)n1 1835929345 LUWGFAMOUWVNKI-QFIPXVFZSA-N 455.276 -0.846 50 20 JBGD C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1)n1cccc1C=O 1835954605 MSQHURCKIAMJRV-HXOBKFHXSA-N 469.303 -0.688 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cnnn3)CCO2)C1 1836143479 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COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(S(C)(=O)=O)cn3)C2)C1 1840150529 NKCRZUZRWZNGHN-BEFAXECRSA-N 475.951 -0.191 50 20 JBGD CN(CC(=O)N1CC2(CCCN2C(=O)CC[C@@H](N)C(N)=O)C1)NC(=O)NCc1ccccc1 1842946485 LNQCDRYXYACLSJ-QGZVFWFLSA-N 459.551 -0.871 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)[C@@H]1CCc3nc(O)nc(O)c3C1)C2 1844263714 MPDGEZHGBHCJOC-GFCCVEGCSA-N 467.486 -0.492 50 20 JBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)cc1 17406571 ATNKIBFMOIOMDB-LJQANCHMSA-N 451.505 -0.517 50 20 JBGD COc1ccc(C(=O)NNC(=O)COC(=O)c2cc(S(=O)(=O)N(C)C)c[nH]2)cc1OC 915409274 QADHUQCVUSIURC-UHFFFAOYSA-N 454.461 -0.100 50 20 JBGD O=C(CN1C(=O)c2ccc(Br)cc2C1=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 919889483 MYEDNBYTEIDXCS-SECBINFHSA-N 459.278 -0.437 50 20 JBGD NC(=O)c1ccc(OCC(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 920641268 MHQDLKZPEGTLDQ-UHFFFAOYSA-N 490.538 -0.035 50 20 JBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)CNCP(=O)(O)O)C2)[C@H](F)Br 1780771926 ULVPXPORCQLNNU-SCDSUCTJSA-N 460.237 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O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2)c1cc(=O)nc2sccn12 1779986685 BALKLYUHRFRZQF-WZONZLPQSA-N 496.354 -0.123 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)c3nc4ccc(F)cn4n3)C2)C1 1782568580 UWKLEVGYWOPIOW-NRFANRHFSA-N 453.239 -0.695 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)[C@@H]3[C@@H](O)CCN3Cc3ccccc3)C2)C1 1782809765 AMRDSWBISRDTKX-JCYRPKCISA-N 493.369 -0.555 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)CNC(=O)OC(C)(C)C)[C@H]2C1 1783992228 BIUTZZDFDPCQIR-NXOAAHMSSA-N 485.582 -0.775 50 20 JBGD O=C(CN1CCS(=O)(=O)CC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](F)Br)C[C@@H]21 1785037556 XFFKOWZRUKRJNI-ABHRYQDASA-N 470.361 -0.613 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc4c(n3)OCCO4)[C@H]2C1 1787383076 OPCJITJBPQKJRW-AXHNFQJDSA-N 482.497 -0.242 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2nn[nH]c2c1 1800142911 MKNNOLYWKOLRJO-IVWMJMPLSA-N 450.459 -0.527 50 20 JBGD 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CN(C)c1ccncc1C(=O)N1CCOC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837456499 JEIDBQWBVTWYOH-HSZRJFAPSA-N 483.529 -0.470 50 20 JBGD CC[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](COC)NC(C)=O)C2)C1 1839964796 CRNHNPGFLASAPJ-RLFYNMQTSA-N 464.357 -0.233 50 20 JBGD COc1ncccc1CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCC(=O)NN(C)C)CCO2 1840182614 OFYOUUKHAVKJGJ-QHCPKHFHSA-N 477.562 -0.148 50 20 JBGD CS(=O)(=O)Cc1ccc(C(=O)N2CCCC23CN(C(=O)c2cnccc2C(=O)NN)C3)cn1 1843216357 XCHKFSXPWDYNBK-UHFFFAOYSA-N 472.527 -0.245 50 20 JBGD COc1ccc(C(=O)NNC(=O)COC(=O)Cc2ccc(S(N)(=O)=O)cc2)cc1OC 728369654 RIWQGLAVNILTBO-UHFFFAOYSA-N 451.457 -0.102 50 20 JBGD O=C(Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)NNC(=O)N[C@H]1CCS(=O)(=O)C1 919885608 NCEBFBQSXASEGJ-HNNXBMFYSA-N 458.562 -0.079 50 20 JBGD C[C@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)C2)[C@@H]1SC(=N)NC1=O 1778084078 ULPPLKRMFUVUEG-QCBOUXAHSA-N 482.607 -0.324 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](O)N1CCOCC1)C2 1778090923 HSDOJEJCZAMQSC-BRJOQUBJSA-N 490.561 -0.715 50 20 JBGD CC(=O)N[C@@H](C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1)c1ccc(F)cc1 1780915267 XECCIFGMMLWWTN-QPPBQGQZSA-N 483.305 -0.174 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](O)NC(=O)OC(C)(C)C)C2)C1 1781858812 NQHWJKMVAMVPNW-OXQOHEQNSA-N 457.528 -0.968 50 20 JBGD COC[C@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1CCS(=O)(=O)CC1)C2 1782172079 NKNQCRWGTYUMOS-FRQCXROJSA-N 466.000 -0.516 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cnnn3)C[C@@H]21 1785076417 CTRJDZQIPSLMBC-AJNGGQMLSA-N 471.946 -0.215 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1cncn1-c1ccncc1 1785752378 QDPKUXBUECXNGJ-XJABCFGWSA-N 475.314 -0.146 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3=NNC(=O)C3)[C@H]2C1 1788556346 MTQQFQVYCMUUTJ-QITLCBANSA-N 473.442 -0.011 50 20 JBGD Cc1cn(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](F)Br)[C@H]3C2)c(=O)nc1O 1789926812 GFJRNKCOWKQTOF-MNXVOIDGSA-N 461.288 -0.072 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc4c(c3)NC(=O)CO4)C[C@@H]21 1791290975 FXDDOKWSBKMBOW-BXWFABGCSA-N 473.530 -0.016 50 20 JBGD CCOc1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)c1O 1795736289 WJPXYEDLXHTKBL-CWPLJXCYSA-N 454.288 -0.012 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C(=O)Nc3ccccc3)CC1)C2)c1cccc(B(O)O)c1 1795737679 JCNNXZPIWGSNSH-RMFSNUHRSA-N 477.326 -0.012 50 20 JBGD COC[C@H](Cl)C(=O)N[C@H]1CCc2nc(NC(=O)c3cc(=O)n4[nH]nnc4n3)sc2C1 1816676228 ZISXXKACVYVSLF-YUMQZZPRSA-N 452.884 -0.251 50 20 JBGD COC[C@@H](NC(C)=O)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827057520 HGGIFWHRGIQCFY-RTWAWAEBSA-N 459.352 -0.249 50 20 JBGD Cc1cccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)n1 1830918294 ZVGMPMWFNKROHM-HSZRJFAPSA-N 453.304 -0.617 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CNC(=O)C3)C2)C1 1832551483 PGZJGYLNHILJQU-LRAJWGHMSA-N 488.969 -0.289 50 20 JBGD O=C(Cc1cccc(Cl)n1)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1833175236 ZWUBGRJAHDHKAJ-QFIPXVFZSA-N 473.722 -0.273 50 20 JBGD CC(=O)N1CCN(CC(=O)NC2CCN(C3CCN(C(=O)[C@H](O)CCl)CC3)CC2)CC1 1835510457 NADCGEVXJQWQJN-LJQANCHMSA-N 458.003 -0.678 50 20 JBGD O=C(CN1CCc2sccc2C1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835926960 AIAYQCXSZLHCLJ-XMMPIXPASA-N 499.398 -0.444 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)c3cccc4c3OCC4)C2)C1 1835928383 NMRZWTPZQDBKKP-DEOSSOPVSA-N 466.299 -0.315 50 20 JBGD Cc1cccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)c1 1835935693 MJKMGEODJXDBNF-DEOSSOPVSA-N 452.316 -0.012 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3ccnn3)CCO2)C1 1836205196 GCALIWQBTWWSPK-MGPUTAFESA-N 486.957 -0.133 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccn4ccnc4c3)C2)C1 1837459782 XHYBJBZCNCNPAV-QHCPKHFHSA-N 479.497 -0.283 50 20 JBGD C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1)N1CSCSC1 1837570324 KXQUFLUMZRCDSZ-IERDGZPVSA-N 495.432 -0.521 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCCN(C)C1)CCO2 1839064537 BSKGKGRSWJWMTF-YRBPKABKSA-N 474.562 -0.081 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3[nH]cnc3-c3cccnc3)C2)C1 1840185505 OHNBZSFBWKBSOS-HSZRJFAPSA-N 485.545 -0.085 50 20 JBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)cc1 22760093 ZHTACTZEDMDEDV-UHFFFAOYSA-N 474.499 -0.978 50 20 JBGD CCn1cnc2c1c(=O)n(CC(=O)NNC(=O)CCN1C(=O)CCC1=O)c(=O)n2Cc1ccccc1 789855369 NXEVXKPMBYNLNR-UHFFFAOYSA-N 495.496 -0.886 50 20 JBGD COc1ccccc1NCC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 911395274 LXVNWRNQYLJTQS-UHFFFAOYSA-N 461.500 -0.311 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](O)N1CCOCC1)CCO2 1780097606 AFJQZRIDGSSZNJ-IFMALSPDSA-N 492.485 -0.386 50 20 JBGD CN(CC(=O)N1CC[C@@]2(C1)CN(C(=O)C1CC(O)C1)CCO2)NC(=O)NCc1ccccc1 1780969428 LWXKGQDDBXDRAO-MTNXOHHFSA-N 459.547 -0.067 50 20 JBGD Cc1cc(C(N)=O)cc(C)c1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786979911 ZTQGSCPSBYZRCA-YYWHXJBOSA-N 479.342 -0.011 50 20 JBGD C[C@H](Nc1ccccn1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786981193 XZZYZURNELZACY-UHMOLFJZSA-N 452.320 -0.145 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ccc4ncnn4c3)[C@H]2C1 1789716180 MASJWJFXUYPECE-SNRMKQJTSA-N 478.513 -0.436 50 20 JBGD C[C@H](Oc1ccccn1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1791621965 YEFCJMJWYWVWCV-UHMOLFJZSA-N 453.304 -0.178 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1CCN(C(=O)c2nccnc2C(N)=O)[C@H]1c1cccnc1 1810301706 AHOBLESGCULGLB-LIRRHRJNSA-N 489.496 -0.398 50 20 JBGD C[C@@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1830541164 YGOUPEOENVFZCR-DJJJIMSYSA-N 484.351 -0.214 50 20 JBGD CN1CCN(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](F)Br)C3)C2)CC1 1835402841 SUCQSTHKLKVUBV-AEFFLSMTSA-N 465.364 -0.229 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CNc3ccccc31)CCO2 1835716541 YAVRNFPGPXBBAS-YKSBVNFPSA-N 465.315 -0.354 50 20 JBGD COc1cc(C(=O)N2CCC(N3CCC(NC(=O)c4cnccc4C(=O)NN)CC3)CC2)n(C)n1 1835737183 SYPMOEFXAKOZHE-UHFFFAOYSA-N 484.561 -0.074 50 20 JBGD Cc1cnc2c(C(=O)N3CCOC[C@@]4(CN(C(=O)c5ccc(B(O)O)cc5)CCO4)C3)cnn2c1 1835930788 ZQXWVUINESRKMH-HSZRJFAPSA-N 479.302 -0.899 50 20 JBGD C[C@@H](NC(=O)c1ccccc1)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835934124 LJOADSMFFUEMGC-CJAUYULYSA-N 495.341 -0.745 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cscn3)CCO2)C1 1836042107 OIUMAUZNPGZFMZ-FQEVSTJZSA-N 460.516 -0.546 50 20 JBGD CN(C)S(=O)(=O)c1ccc(I)c(C(=O)NNC(=O)C(=O)NC2CC2)c1 916040706 DBNYZRRGHGYHKH-UHFFFAOYSA-N 480.284 -0.419 50 20 JBGD CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 919960897 JKJAGXOKLDYCNL-GFCCVEGCSA-N 468.579 -0.603 50 20 JBGD CC(=O)Nc1cccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)n1 1785532673 AFQYCUKTHCQKOX-QRFRQXIXSA-N 466.303 -0.373 50 20 JBGD CC(C)(C)OC(=O)N[C@H](CCN)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21 1786844625 TWEQXYVLDUHWMQ-QMHWVQJVSA-N 462.975 -0.192 50 20 JBGD NC(=O)c1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)cc1 1786986687 YRTMWKWAGOBXNQ-IHPCNDPISA-N 451.288 -0.628 50 20 JBGD CCS(=O)(=O)N[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C(C)=N/NC(=O)c3ccc[nH]3)[C@H]2C1 1787506537 DWHRDFASAOICEI-SBFJDTSFSA-N 496.590 -0.572 50 20 JBGD COc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)c([N+](=O)[O-])cc1O 1789270944 JFEURDQDVQIHOH-LFRPXUGBSA-N 499.285 -0.104 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@H]1COc3ccccc3O1)C2)c1ccc(B(O)O)cc1 1795732696 AXZXUZINIUHCPZ-ZQYRFBGISA-N 466.299 -0.200 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1[C@@H](O)CCN1Cc1ccccc1)C2)c1ccc(B(O)O)cc1 1795736942 RMSCOAYYSQGHNU-IOXZRWQCSA-N 493.369 -0.795 50 20 JBGD CCOC(=O)N(CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1)Cc1ccco1 1795741001 WBELATZIHVCRSB-OPMZPASUSA-N 499.329 -0.179 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnn2c1OCCC2 1799935245 OUCOGIJMMCGFEW-FVCICTRLSA-N 455.475 -0.819 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1cnn2cccc(F)c12 1800121966 WIEVQAQCWPNZIU-CCWDJLKJSA-N 452.251 -0.330 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2)[C@@H]1C[C@H](O)CN1C(=O)OCc1ccccc1 1802024856 AICJSQAHRADBIG-APNJTCTJSA-N 495.960 -0.052 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H](CNC(=O)[C@@H]2CCC(=O)N2)[C@H]1c1cccnc1 1806636589 RKGUOJMPKBKWDF-DKSSEZFCSA-N 451.487 -0.322 50 20 JBGD CC(=O)N(C)CCC(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807369830 XFATZGAVQGZAPL-DENIHFKCSA-N 452.320 -0.051 50 20 JBGD O=C(NC[C@H]1CCN(C(=O)c2cnncc2C(=O)O)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807375263 NOQXSVNKKFVCOP-UZLBHIALSA-N 475.270 -0.117 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1CCN(C(=O)[C@@H]2CCCS2(=O)=O)[C@H]1c1cccnc1 1810305242 JPCAAAAQRPEROR-SNRMKQJTSA-N 486.554 -0.023 50 20 JBGD CC(=O)OC[C@H](OC(C)=O)C(=O)N1CC[C@H](CNC(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1 1813074091 QQQLLNNSEPZONR-XQBPLPMBSA-N 491.545 -0.045 50 20 JBGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CCN2C(=O)C=CC2=O)[nH]n1)c1ccc(B(O)O)cc1 1817470477 SCIQFHCKYJGWMB-KRWDZBQOSA-N 465.275 -0.290 50 20 JBGD O=C(NCC(=O)N1CCC(N2CCC(NC(=O)[C@H](O)CCl)CC2)CC1)c1cccnc1 1833307980 GAJGBBCIQLGJCP-GOSISDBHSA-N 451.955 -0.017 50 20 JBGD COc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)s1 1833418271 CEZCPUSRPBWCRQ-NRFANRHFSA-N 460.317 -0.180 50 20 JBGD CS(=O)(=O)N1CCC(C(=O)N2CCOC[C@@]3(CN(C(=O)CCBr)CCO3)C2)CC1 1834821238 CWJRTYIWIHOCLV-GOSISDBHSA-N 496.424 -0.101 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])o3)C2)C1 1835926611 UWDCYIYBZVBXNW-HXUWFJFHSA-N 459.220 -0.749 50 20 JBGD Cn1ncc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)c1C(F)(F)F 1835927709 XMLPLJDMNPIBLX-HXUWFJFHSA-N 496.251 -0.498 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])cc3F)C2)C1 1835932240 VWDXRKTVFSEERS-JOCHJYFZSA-N 487.249 -0.203 50 20 JBGD O=Cc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)s1 1835935796 RRRHCRDXGLRFOK-OAQYLSRUSA-N 458.301 -0.376 50 20 JBGD CC(=O)N1CCN(CC(=O)N2CCO[C@]3(COCCN(C(=O)CCBr)C3)C2)CC1 1836764713 JHUZDIGFNZUFKY-IBGZPJMESA-N 475.384 -0.608 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(OCF)cn3)C2)C1 1837456020 AVIHLKMOWKEQGQ-NRFANRHFSA-N 489.464 -0.835 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccn4ccnc34)C2)C1 1837459480 RHXBSPOJHQFMRX-QHCPKHFHSA-N 479.497 -0.283 50 20 JBGD COc1c(Cl)ccnc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1838726641 DHIRECNZGXVVQI-JOCHJYFZSA-N 489.721 -0.193 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cn(C(C)(C)C)nn1)CCO2 1838760544 ZAHHQUPDLJNJDB-OAQYLSRUSA-N 465.555 -0.524 50 20 JBGD O=C(Cn1cc([N+](=O)[O-])cn1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839198554 HZKUTTCVEDHHMG-UKRRQHHQSA-N 464.248 -0.062 50 20 JBGD C[C@H](Cc1ccncc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1839657944 NLVHGKYMZJVUBJ-KOSHJBKYSA-N 467.331 -0.290 50 20 JBGD CC[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCN(C(C)=O)CC3)C2)C1 1839965296 TVCMJYISKCGPCF-YLJYHZDGSA-N 489.411 -0.220 50 20 JBGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4c3CS(=O)(=O)C4)C2)C1 1840151920 RORPKNHSXHZKCL-FZKQIMNGSA-N 476.939 -0.838 50 20 JBGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CS(=O)(=O)N3CCCC3)C2)C1 1840152633 OLIPUMJKLBXXBW-CRAIPNDOSA-N 467.972 -0.878 50 20 JBGD NC(=O)c1ccc(N2CCN(C(=O)NNC(=O)c3csc(N4CCOCC4)n3)CC2)nc1 916519733 RZIRVCFFZXXEBX-UHFFFAOYSA-N 460.520 -0.350 50 20 JBGD CNC(=O)CCCNC(=O)NNC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1S(C)(=O)=O 918235929 TYJMXWNGTJDBSP-HNNXBMFYSA-N 485.563 -0.191 50 20 JBGD COc1cc2c(cc1OC)[C@@H](CC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)N(S(C)(=O)=O)CC2 920297805 PLWHVOQJJYYCIU-SMDDNHRTSA-N 492.576 -0.962 50 20 JBGD CS(=O)(=O)NCCC(=O)NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 920406213 NBHBGILDVYCKJN-UHFFFAOYSA-N 454.530 -0.135 50 20 JBGD CCn1cnc2c1c(=O)n(CC(=O)NNC(=O)c1cnc(C)cn1)c(=O)n2Cc1ccccc1 920503282 FRKALXPPKQHPEQ-UHFFFAOYSA-N 462.470 -0.012 50 20 JBGD COc1cc(CC(=O)N2CC[C@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)ccc1[N+](=O)[O-] 1781191270 HWBYFISJOHWLGN-QHCPKHFHSA-N 483.286 -0.031 50 20 JBGD COC(=O)[C@@H]1CCC[C@@H](C(=O)N2CC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)C1 1783858092 DWNWDYCVPBFUBF-PNCHPQGNSA-N 458.320 -0.211 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CC(=O)N(C3CCCC3)C1)CCO2 1783933658 UQVLYQHAYUETNX-HXOBKFHXSA-N 463.579 -0.020 50 20 JBGD Cc1ccc(C(=O)NCC(=O)N2CCO[C@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)cc1 1783939927 NSLUWTYUMNJPGT-QHCPKHFHSA-N 459.547 -0.072 50 20 JBGD CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]2C1 1784092882 NOWCILRVQGTUHN-QXKUPLGCSA-N 463.959 -0.159 50 20 JBGD O=C(CN1CCS(=O)(=O)CC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCBr)C[C@@H]21 1785035198 FTJAIBGCHKTBBO-KKUMJFAQSA-N 466.398 -0.519 50 20 JBGD COc1nn(C)cc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1 1788611461 CPTSAEPZCGOOPW-NUTKFTJISA-N 457.491 -0.666 50 20 JBGD Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](O)CCl)n(-c2cccc(=O)n2C)n1 1792977345 SZAAHMUDLCECRX-MVWRLGRASA-N 463.922 -0.318 50 20 JBGD CC(C)n1nc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)cc1C(=O)O 1794433656 XYURHUREPFAIOM-CCWDJLKJSA-N 470.291 -0.641 50 20 JBGD Cc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](O)CCl)C3)n(-c2cccc(=O)n2C)n1 1795933281 LLRSVPPBGKKBAR-MVWRLGRASA-N 463.922 -0.318 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2 1796440078 DATNFMRAHJJDHT-CSZPZLGNSA-N 456.459 -0.170 50 20 JBGD Cc1ccn2c(=O)c(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)c3cnccc3C(=O)NN)C4)cnc2c1 1797068586 SKAQMICWQROTEL-YVWYUNDQSA-N 491.508 -0.482 50 20 JBGD CN1CCN(C2(C(=O)NC[C@H]3CCN(C(=O)c4ccc(B(O)O)cc4)[C@@H]3c3cccnc3)CC2)CC1 1807941010 OXSOYSUMLVFROP-FYYLOGMGSA-N 491.401 -0.139 50 20 JBGD CC[C@H](NC(N)=O)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1808228112 CXOCLPJYSCJWEO-WDSOQIARSA-N 453.308 -0.472 50 20 JBGD C[C@H](C(=O)N1CC[C@@H](CNC(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1)n1cnnn1 1810308728 NEUQYCXZSNJTDA-QIIPPGSGSA-N 464.490 -0.353 50 20 JBGD CN1C(=O)CC[C@H]1C(=O)N[C@@H]1CCc2nc(NC(=O)c3cnccc3C(=O)NN)sc2C1 1819800547 PSLSRONFGVKBNE-YGRLFVJLSA-N 457.516 -0.012 50 20 JBGD CCS(=O)(=O)N[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 1824460720 UGRXQVNKBAVIQP-OXQOHEQNSA-N 479.408 -0.073 50 20 JBGD NC(=O)c1ncccc1C(=O)N1CCC(N2CCC(NC(=O)c3cccc(B(O)O)c3)CC2)CC1 1834799803 BUBCJPHUUCMCCW-UHFFFAOYSA-N 479.346 -0.641 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](CN)c1ccccc1)CCO2 1835822845 LLRNMGVGGANYCU-AUSIDOKSSA-N 461.563 -0.442 50 20 JBGD Cc1ccn2ncc(C(=O)N3CCOC[C@]4(CN(C(=O)c5cccc(B(O)O)c5)CCO4)C3)c2c1 1835935833 USAQUHGZTVRYHX-DEOSSOPVSA-N 478.314 -0.294 50 20 JBGD CC[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835940034 UFXUNQHLBAFLAG-APWZRJJASA-N 469.141 -0.390 50 20 JBGD COc1cc(F)ccc1CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835941137 IQAAGUJWTQNMGA-XMMPIXPASA-N 486.305 -0.173 50 20 JBGD C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1)n1cccc1C=O 1835958078 IMMDVFDXVRKPTM-VGOFRKELSA-N 463.535 -0.309 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cccnc3)C2)C1 1837457448 CJGOGCRJMONYCA-JOCHJYFZSA-N 454.487 -0.607 50 20 JBGD C[C@](Cl)(CCl)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](O)N3CCOCC3)CCO2)C1 1837520543 BNPLDTOKEYSKOA-JLSDUUJJSA-N 454.351 -0.670 50 20 JBGD C[C@H](CS(C)(=O)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1 1837709918 AZYJJUYBQKHQNB-CRAIPNDOSA-N 450.630 -0.025 50 20 JBGD O=C(O)CSCC(=O)N1CCC(OC2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1837920966 NDSHVXSHXNMSFJ-UHFFFAOYSA-N 464.349 -0.204 50 20 JBGD C[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(=O)nc4cccnn34)C2)C1 1840034287 HJJYANSSDQXXBX-BFUOFWGJSA-N 480.319 -0.057 50 20 JBGD CC(C)(C)OC(=O)N1C[C@]2(C(=O)N3CC4(CCCN4C(=O)c4cccc(B(O)O)c4)C3)C[C@H]1CO2 1843014526 STLRPLVYFDWUQJ-UUOWRZLLSA-N 485.346 -0.038 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC2(CCCN2C(=O)Cn2cc(C)c(O)nc2=O)C1 1846967820 HEBGVWSEQYOWND-ZVHZXABRSA-N 455.475 -0.405 50 20 JBGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)NCCS(=O)(=O)N1CCSCC1 730577932 FVJMZVNHLSYKRV-UHFFFAOYSA-N 478.622 -0.389 50 20 JBGD CS(=O)(=O)CCCC(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 731165346 OJIWTEFWYYUWGV-UHFFFAOYSA-N 461.562 -0.388 50 20 JBGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)CN(C)[C@@H]2CCS(=O)(=O)C2)c1 914532639 LUHTTZZUVRGJSF-OAHLLOKOSA-N 460.578 -0.403 50 20 JBGD COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)NNC(=O)CN2CCCC2=O)c1OC 915637168 NMYGOQVGWWQTPI-UHFFFAOYSA-N 470.504 -0.892 50 20 JBGD Cn1nc(C(=O)NNC(=O)C2=NN(c3ccc(F)cc3)[C@H](C(N)=O)C2)c2ccccc2c1=O 933190213 RHIUSQREOQLTSQ-INIZCTEOSA-N 451.418 -0.046 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)c3cc(-c4cccnc4)[nH]n3)C2)C1 1779608962 QNEBRALNUDJYRE-QHCPKHFHSA-N 461.287 -0.091 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@]2(CN(C(=O)Cn3cnnn3)CCO2)C1 1780096674 DFXWWHBKIFEYDT-LJQANCHMSA-N 459.419 -0.350 50 20 JBGD CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CC[C@]2(CN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)CCO2)C1 1784371195 PRRBQQPGORKRQF-UBRJHZETSA-N 498.544 -0.579 50 20 JBGD O=C1COc2ccc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)c5ccc(B(O)O)cc5)[C@H]4C3)cc2N1 1786979609 CYAHDQTYZWPCFM-MDKPJZGXSA-N 479.298 -0.396 50 20 JBGD O=C(CSc1ncccn1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1787072942 QVINUVQBDFMTTM-SZMVWBNQSA-N 456.333 -0.458 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C\C(=O)NC3CC3)C[C@@H]21 1787508691 OTYLJKSMALPWPO-XFFIELSNSA-N 470.530 -0.065 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc4ncccn4n3)C[C@@H]21 1788610214 KGUXHBWIAHHDFP-RCBQFDQVSA-N 465.474 -0.970 50 20 JBGD O=C(/C=C/C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)NCc1ccco1 1788719524 CDXDNXDGGVSRQH-AMGBKHEMSA-N 481.314 -0.575 50 20 JBGD CN(CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CNC1=O)NC(=O)NCc1ccccc1 1794011713 LKVAPIOLBVTQCT-BCDXTJNWSA-N 485.545 -0.477 50 20 JBGD Cc1cc(NC(=O)CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)no1 1796417911 DDDJCDCHODHVKI-DBWKPXFBSA-N 471.474 -0.786 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1nn[nH]c1C(F)(F)F 1798710682 XLEWIOXISHBHKB-PTEHBNRSSA-N 453.186 -0.980 50 20 JBGD CN(CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2)NC(=O)NCc1ccccc1 1799097066 ALKCSLPZWKCCOF-UPHUGPLXSA-N 457.487 -0.990 50 20 JBGD COC(=O)CSCC(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1803576409 XBBPACZEFXEFGM-LAUBAEHRSA-N 471.344 -0.013 50 20 JBGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1)[C@@H]1CCCS1(=O)=O 1821834328 YIQDWXSCIQSHLN-IRXDYDNUSA-N 460.321 -0.027 50 20 JBGD C[C@H](CBr)C(=O)NC1CCN(C2CCN(C(=O)CN(CCO)CCO)CC2)CC1 1833264473 GDJMKIQKXCDCNN-MRXNPFEDSA-N 477.444 -0.124 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCC(N2CCC(NC(=O)c3cccc(=O)n3C)CC2)CC1 1834086727 KLSXPTCPLZHMES-UHFFFAOYSA-N 460.579 -0.057 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)c3cc(O)nc(O)n3)CC2)CC1)c1ccc(B(O)O)cc1 1834798592 OEBSTBZMAFZVNQ-UHFFFAOYSA-N 469.307 -0.933 50 20 JBGD O=C(CCBr)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835929486 QXTMQWMSKCJEFV-GOSISDBHSA-N 455.114 -0.779 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)c3ccn(-c4ccccc4)n3)C2)C1 1835931301 MBXPVYMCWLWKCO-RUZDIDTESA-N 490.325 -0.064 50 20 JBGD COc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)cc1 1835931383 PQQAXONAKHNDFJ-HSZRJFAPSA-N 454.288 -0.241 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3Cc4ccccc4CN3)C2)C1 1835935537 JVIGXSILJQLNEZ-DHLKQENFSA-N 479.342 -0.849 50 20 JBGD COc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)cc1N(C)C 1835939307 LUAZLOBWKDDSHE-VWLOTQADSA-N 497.357 -0.175 50 20 JBGD CN(C)c1cncc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)c1 1837457048 UHIFFJHZMYRCRU-QHCPKHFHSA-N 483.529 -0.470 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C=O)s3)C2)C1 1837457798 RSLXDHBVZXZTHO-NRFANRHFSA-N 473.511 -0.057 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC[C@H](O)CC3)C2)C1 1837461568 YROCQWFDBHHWRH-WCJKSRRJSA-N 461.519 -0.694 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(OCCCO)cc1)CCO2 1838550360 XNMISFWWRWNKMF-XMMPIXPASA-N 492.573 -0.109 50 20 JBGD CN(CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCCO1)CCO2)NC(=O)NCc1ccccc1 1840015088 VILJLJAUJVXNRP-RDPSFJRHSA-N 489.573 -0.032 50 20 JBGD Cn1cnc2c1c(=O)n(CC(=O)NNC(=O)Cc1nc(-c3ccccc3)cs1)c(=O)n2C 10599957 JCJPXCNMPQJRJG-UHFFFAOYSA-N 453.484 -0.053 50 20 JBGD CC(=O)N[C@@H](C(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)C(C)C 25166615 RFNYMMJAEWPUSC-LJQANCHMSA-N 454.549 -0.052 50 20 JBGD O=C(CNC(=O)c1cccs1)NNS(=O)(=O)c1ccc(C(=O)N2CCOCC2)cc1 751283735 ZTCDTIJNBUVWRV-UHFFFAOYSA-N 452.514 -0.040 50 20 JBGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)NC[C@@H]1COCCO1 918108385 HNLWGGOSUUXCAN-MRXNPFEDSA-N 456.521 -0.614 50 20 JBGD Cc1cccc(N2CCN(S(=O)(=O)CC(=O)NNC(=O)[C@H]3CCS(=O)(=O)C3)CC2)c1 919839805 UJGNJKNZUVPUNP-HNNXBMFYSA-N 458.562 -0.971 50 20 JBGD Cn1ccc(=O)cc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cnccc1C(=O)NN)C2 1780057327 IOKXQZQANROHEB-AUSIDOKSSA-N 468.514 -0.175 50 20 JBGD COC(=O)[C@H]1CC[C@@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cnccc4C(=O)NN)C[C@@H]32)C1 1784080496 OFFUCJABVDFVTR-MUAMBBPCSA-N 473.530 -0.132 50 20 JBGD COc1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)cc1O 1786978590 BALWNHIAYIFBSO-JLMWRMLUSA-N 468.315 -0.083 50 20 JBGD COCCn1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)n1 1786980004 YIWFQBHEDSWCSJ-QRFRQXIXSA-N 456.308 -0.884 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CSc3ncccn3)C[C@@H]21 1788610194 IUIQJUUYPFTRFM-JQFCIGGWSA-N 471.543 -0.139 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C[C@@]13C(=O)Nc1ccccc13)C2)c1ccc(B(O)O)cc1 1795736815 LWRRJCLBYJGFPR-OWFGBXLGSA-N 475.310 -0.520 50 20 JBGD CN(CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cccn1)NC(=O)NCc1ccccc1 1795870913 XKBKDCXKRSLNFC-HATOLVCRSA-N 469.546 -0.181 50 20 JBGD COc1ccnc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)c1OC 1798767751 PGSDGQSICURTJT-JLVBRIDZSA-N 455.276 -0.704 50 20 JBGD C[C@H](NC(=O)c1ccccn1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2 1800206742 WRDXNBXYMOOXLJ-MFCZKXCZSA-N 460.535 -0.838 50 20 JBGD COCCOCCOCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C(C)=N/NC(=O)c1ccc[nH]1)C2 1800837118 CHJQVJDQHPZUHW-JBUXMVGSSA-N 493.561 -0.220 50 20 JBGD C[C@H](Oc1ccccn1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1801366871 XKZIJPUSJHLLIM-ZTENYAIWSA-N 454.487 -0.249 50 20 JBGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C 1802152078 QVSHXRNOTWAHNJ-YMSVYLFOSA-N 476.958 -0.402 50 20 JBGD CN1CCN(C2(C(=O)N[C@@H]3CCc4nc(NC(=O)c5cccc(B(O)O)c5)sc4C3)CC2)CC1 1815359773 DMCIQENXICMQQT-QGZVFWFLSA-N 483.403 -0.171 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CC(=O)N(C3CCCC3)C1)CCO2 1832359085 AOXBGGHDVSDWHV-HOYKHHGWSA-N 493.605 -0.393 50 20 JBGD CCC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCS(=O)(=O)CC3)CCO2)C1 1832483879 TVSQONAGQRIBRO-QFBILLFUSA-N 466.000 -0.419 50 20 JBGD Cc1cccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)n1 1832612388 SGLNGHRQBDPQRS-DEOSSOPVSA-N 467.331 -0.227 50 20 JBGD COC[C@@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)CN3CCS(=O)(=O)CC3)CC2)CC1 1833713809 DJXQHALKRYCGPW-GOSISDBHSA-N 479.043 -0.458 50 20 JBGD CN1Cc2ccccc2C[C@@H]1C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835927223 MSWIYARWLVXPNQ-BVAGGSTKSA-N 493.369 -0.507 50 20 JBGD Cc1ncccc1CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835935194 GHRLPKGQQGVCMD-XMMPIXPASA-N 467.331 -0.227 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc3ncsc3[nH]1)CCO2 1837750146 MPYYWFVSCWNVSB-OAQYLSRUSA-N 470.316 -0.312 50 20 JBGD CC(C)C(=O)Nc1nc(O)c2ncn(CC(=O)N3CC4(CCCN4C(=O)[C@H](O)CCl)C3)c2n1 1841353894 WWXRMJHMEKMICE-GFCCVEGCSA-N 479.925 -0.071 50 20 JBGD CC(C)Cn1cnc2c1c(=O)n(CC(=O)NNC(=S)NCC(N)=O)c(=O)n2Cc1ccccc1 727067346 IJSSSEIQKQFSAD-UHFFFAOYSA-N 486.558 -0.955 50 20 JBGD Cn1nc(SCC(=O)NNC(=S)Nc2ccc3c(c2)OCCCO3)c(=O)n(C)c1=O 727272517 QVKJMLNRNCEKKA-UHFFFAOYSA-N 452.518 -0.250 50 20 JBGD Nc1c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)sc2nccnc12 1786951792 WHSVESLADXVTAY-BPUTZDHNSA-N 481.343 -0.140 50 20 JBGD C[C@@H](NNc1ccccc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1792509012 IUZSMONIHUUKEN-IHSNIMORSA-N 467.530 -0.107 50 20 JBGD CC(C)(C)OC(=O)N1CC[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](O)CCl)[C@H](O)C1 1792972418 OJSAVGCNHGGBEE-OIBBZDHESA-N 475.970 -0.206 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCc3ccccc3[C@@H]1O)C2)c1cccc(B(O)O)c1 1795737650 GFPDPVCUKFUVQK-DDFUWSPLSA-N 464.327 -0.134 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1 1796187878 ISGZUKSGKDSBGR-RDGPPVDQSA-N 475.351 -0.106 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(B(O)O)c1)C2 1796740308 RXYXSPVQIYUZST-MHORFTMASA-N 461.324 -0.496 50 20 JBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1Cc3ccccc3N1)C2 1797754044 QYDLRGBODSGVGV-VZJWBNGJSA-N 450.499 -0.075 50 20 JBGD CC(=O)N(C)CCC(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1804067415 MPCLJBNINWJERZ-SIKLNZKXSA-N 452.320 -0.051 50 20 JBGD O=C(CNC(=O)c1cccnc1)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1804366774 PUBOFTZRXZDDED-WMZHIEFXSA-N 487.325 -0.094 50 20 JBGD O=C(NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807365657 WCIOZQYEDRPYIL-UGKGYDQZSA-N 473.103 -0.925 50 20 JBGD O=C(NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1)c1cc(CO)on1 1811590044 OTRFKMHJEQFGHP-UZLBHIALSA-N 450.260 -0.125 50 20 JBGD C[C@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cnccc2C(=O)NN)[nH]n1)n1cnnn1 1822859900 ZXBCBHXWRNGRGX-IAQYHMDHSA-N 453.467 -0.038 50 20 JBGD CNC(=O)CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](CCl)NC(=O)OC(C)(C)C)C2)C1 1831263892 JOHQNPBNIZIYKU-XOBRGWDASA-N 476.958 -0.289 50 20 JBGD CC(=O)Nc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)n1 1833340049 ZYXZUDLVTKOKQR-JOCHJYFZSA-N 476.534 -0.517 50 20 JBGD CC(=O)NC(C)(C)C(=O)NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1833485909 BECMPYBTQCOTCI-UHFFFAOYSA-N 458.368 -0.534 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cncn1-c1ccncc1)CCO2 1833656386 BKYWEMJPJURREY-HSZRJFAPSA-N 485.545 -0.290 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1n[nH]c(C3CC3)c1F)CCO2 1833682827 HXIZWFZZXAHBCY-QFIPXVFZSA-N 487.492 -0.192 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)c3cccc4c3OCC4)C2)C1 1835937085 NWKVOGYLDUXMTA-XMMPIXPASA-N 466.299 -0.315 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)c3ccc4cnccc4n3)C2)C1 1835937494 ZSGILGZXQITZIO-XMMPIXPASA-N 476.298 -0.307 50 20 JBGD C[C@H](Cc1ccccn1)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835939719 FRHPXXYRENHXAH-HOYKHHGWSA-N 467.331 -0.290 50 20 JBGD COc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)ccn1 1837976920 MNIGLRGSXFXLOI-QFIPXVFZSA-N 455.276 -0.846 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCc3nc[nH]c3C1)CCO2 1840365417 JSMLPLRPFOTEKS-ZHRRBRCNSA-N 462.551 -0.656 50 20 JBGD CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCO[C@]2(COCCN(C(=O)CCBr)C2)C1 1840370520 DYVIPSNZRUHLLZ-APWZRJJASA-N 486.367 -0.302 50 20 JBGD O=C(COC(=O)CCc1nc(-c2ncccn2)no1)NNC(=O)[C@H]1COc2ccccc2O1 728344470 VLVXUHWUUALJDM-CQSZACIVSA-N 454.399 -0.010 50 20 JBGD CC(=O)N1CCc2cc(Br)c(S(=O)(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc21 728509293 BJMZFMBMLATFSD-QMMMGPOBSA-N 483.366 -0.395 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1nccnc1C(N)=O)C2 1779372650 SIJYUSJFCGGIKB-IVZQSRNASA-N 482.501 -0.985 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@]3(O)CCN(C(=O)OC(C)(C)C)C3)C2)C1 1784011493 OWBBBOSITKPHJG-GOTSBHOMSA-N 497.593 -0.439 50 20 JBGD CCC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)C[C@@H]21 1784615925 DDZMJTOVNKBKSV-VGWMRTNUSA-N 494.980 -0.179 50 20 JBGD C[C@H](NC(=O)c1ccccc1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786982305 WWEZYDXBDFTWEZ-PWZKMPOXSA-N 479.342 -0.222 50 20 JBGD C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1 1788607819 LMCKTZMFEMTOCL-SPYIXANLSA-N 456.503 -0.863 50 20 JBGD COc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)cc1N(C)C 1799208779 KNCCDQPWZDGFRW-OPMZPASUSA-N 467.331 -0.042 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc2c(c1)NC(=O)CS2 1800037627 JTRVMAVBTZHLEM-IVWMJMPLSA-N 497.537 -0.359 50 20 JBGD C[C@H](CS(C)(=O)=O)C(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1803583581 ZGMAYBLETVMWAS-ZTNFWEORSA-N 473.360 -0.238 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CN2C(=O)CNC2=O)n[nH]1 1815596757 IUXORBWJDCGLKC-CQSZACIVSA-N 469.462 -0.734 50 20 JBGD C[C@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)CCS(C)(=O)=O)C2)C1 1830545519 KEZRZIYEOYLUPS-CJNGLKHVSA-N 455.371 -0.092 50 20 JBGD C[C@H](CNC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1830748018 YTAJRAJABZZKOU-HXOBKFHXSA-N 499.609 -0.023 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)[C@@H]3CCCS3(=O)=O)CC2)CC1)c1ccc(B(O)O)cc1 1834798855 FXPRSADKIUKUGW-FQEVSTJZSA-N 477.392 -0.871 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)c3cnc(OCF)cn3)CC2)CC1)c1cccc(B(O)O)c1 1834799814 CCMIKTUTASHHDU-UHFFFAOYSA-N 485.325 -0.039 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC1CCN(C2CCN(C(=O)Cn3cccn3)CC2)CC1 1835736676 ADKDNIPONUXTQS-UHFFFAOYSA-N 454.535 -0.233 50 20 JBGD CC(C)Cc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)n(C)n1 1835928378 NCLNSUDZBAZSIS-XMMPIXPASA-N 484.362 -0.318 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccn3cncc13)CCO2 1837112842 NYVSZMOLBYQQRO-QHCPKHFHSA-N 479.497 -0.283 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)CSc3ccncc3)C2)C1 1837456644 LUIXZRPBMJSPQC-JOCHJYFZSA-N 486.554 -0.058 50 20 JBGD C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1)C1(O)CCC1 1837457064 WPJNDMKNPKHHMD-VFNWGFHPSA-N 461.519 -0.694 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)COCc3ccccc3)C2)C1 1837457912 VUGPTIMPHAAWFN-DEOSSOPVSA-N 483.525 -0.028 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)C3(Br)CC3)C2)C1 1837459337 DAPNKQZGZRSSCP-GOSISDBHSA-N 482.335 -0.317 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)Cc1ccccc1)CCO2 1839959533 NCBRHPZZZFOHJA-YKSBVNFPSA-N 483.525 -0.641 50 20 JBGD CC(C)(C)OC(=O)N1[C@H]2C[C@@H](C[C@@H]2O)[C@H]1C(=O)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843012490 SOHCZWKCBNBXEI-LEAZDLGRSA-N 499.373 -0.058 50 20 JBGD C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)NNC(=O)c3ccc(C#N)cc3)CC2)C[C@@H](C)O1 747103560 RCZJHYSCYMLLST-HUUCEWRRSA-N 450.521 -0.116 50 20 JBGD CS(=O)(=O)Nc1ccc(S(=O)(=O)NNC(=O)CNC(=O)c2cccs2)c(F)c1 751281656 GFWIOHGHICRNDK-UHFFFAOYSA-N 450.495 -0.002 50 20 JBGD C[C@H](CBr)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNCP(=O)(O)O)C[C@@H]21 1783968108 QOVLOIDQDSUHSV-VOAKCMCISA-N 456.274 -0.278 50 20 JBGD CC(C)(C)OC(=O)NCC[C@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21 1789928403 NJCAPJLGOFYYKT-GVRJEKJASA-N 463.959 -0.159 50 20 JBGD COC(=O)[C@H]1CC[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)CC1 1793605036 UQHMMDLORSCACT-MOSFQMPWSA-N 473.530 -0.132 50 20 JBGD Cn1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)c(C(F)F)n1 1796703004 SBOUJXPMGPMPFM-QHBPRCKVSA-N 463.445 -0.127 50 20 JBGD O=C(NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)c1cc(=O)n2[nH]cnc2n1 1807352375 FWRGSFJWPZENBD-OXJNMPFZSA-N 487.285 -0.874 50 20 JBGD CC(=O)N1CCN(CC(=O)N2CC[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)CC1 1807362455 LZGBFPDVXPULRR-XUZZJYLKSA-N 493.373 -0.755 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@H]1CCN(C(=O)C2=NNC(=O)C2)[C@H]1c1cccnc1 1810303593 WKZYPYBPTWSOOA-ACJLOTCBSA-N 450.459 -0.724 50 20 JBGD O=C(CS(=O)(=O)N1CCCC1)N[C@@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815354544 HWEYLIKSPZWHNJ-OAHLLOKOSA-N 492.388 -0.526 50 20 JBGD NNC(=O)c1ccncc1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)COc1ccc(O)nn1)CC2 1819800930 VHOJYMOAJHZNOR-SNVBAGLBSA-N 484.498 -0.058 50 20 JBGD Cc1ccc(S(=O)(=O)CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)cc1 1830724249 XBQJAHFMIFLAIM-FXAWDEMLSA-N 474.963 -0.175 50 20 JBGD CC(C)(C)OC(=O)NCCOCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1831133328 WGRPRXUKEDYFLG-KKSFZXQISA-N 493.985 -0.026 50 20 JBGD COC(=O)C1(C(=O)N2CCC(N3CCC(NC(=O)c4ccc(B(O)O)cc4)CC3)CC2)CC1 1834798826 CHMBJDPQIIULFW-UHFFFAOYSA-N 457.336 -0.495 50 20 JBGD C=CC(=O)N[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3cccc(B(O)O)c3)CC2)CC1 1834800990 FAVSNZWRUHMXGT-INIZCTEOSA-N 456.352 -0.758 50 20 JBGD CC(=O)N(C)[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1835122608 SOFWLNFXMNNKRG-INIZCTEOSA-N 458.368 -0.582 50 20 JBGD CCNC(=O)N[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3cnccc3C(=O)NN)CC2)CC1 1835737828 FROVNDUDWWMDKV-HNNXBMFYSA-N 488.593 -0.422 50 20 JBGD CC(=O)Nc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)ccn1 1835928340 LBSFOWSFENXUNC-QHCPKHFHSA-N 482.302 -0.896 50 20 JBGD O=C(CNc1ccc(F)cc1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835935709 NGPRYHGFUYFUTI-HSZRJFAPSA-N 471.294 -0.312 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1Cc3ccccc3O1)CCO2 1836650315 GTHFFQUVROGVCX-GBXCKJPGSA-N 481.509 -0.241 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4ccccc34)C2)C1 1837459085 ILASGFQICMAAAV-QHCPKHFHSA-N 479.497 -0.055 50 20 JBGD CCc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)n(C)n1 1838043120 FNPDPKQRGDKQAZ-QFIPXVFZSA-N 471.518 -0.635 50 20 JBGD NC(=O)c1nccnc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839200552 MJUUEEOONXMFBT-WBMJQRKESA-N 460.260 -0.664 50 20 JBGD Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)nc2nccn12 1839548568 HMCLKSHXUHNAGH-HSZRJFAPSA-N 479.302 -0.899 50 20 JBGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cncc(S(C)(=O)=O)c3)C2)C1 1840151227 YFQOMSCRMDYGGP-APWZRJJASA-N 475.951 -0.191 50 20 JBGD CN(CC(=O)N1CCCC12CN(C(=O)CS(C)(=O)=O)C2)NC(=O)NCc1ccccc1 1845038626 AKIAZSVOCBBFCD-UHFFFAOYSA-N 451.549 -0.419 50 20 JBGD CC(C)(C)OC(=O)N1CCN(C(=O)CNC(=O)NNC(=O)CNC(=O)c2ccco2)CC1 725871023 DZTVSNCTJLFEFJ-UHFFFAOYSA-N 452.468 -0.581 50 20 JBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)[C@@H]3CC(=O)N([C@@H]4CCS(=O)(=O)C4)C3)cc2)CC1 728214467 PMTVDVFMOMOGAH-NVXWUHKLSA-N 499.615 -0.899 50 20 JBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl 729275947 TVPRWUIBPCLPJU-JTQLQIEISA-N 452.942 -0.177 50 20 JBGD COCCn1cnc2c1c(=O)n(CC(=O)NNC(=O)c1cn[nH]c1)c(=O)n2Cc1ccccc1 916147880 LBYKIECYGQVYAT-UHFFFAOYSA-N 466.458 -0.761 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cn1cncn1)C2 1778090835 BKSKWCGNYDUGID-AMODZNIKSA-N 456.507 -0.074 50 20 JBGD CN(C)c1cncc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)c1 1779028133 FCADCCNFTSNNOG-JOCHJYFZSA-N 453.503 -0.097 50 20 JBGD CN(CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1CCNC(=O)C1)CCO2)NC(=O)NCc1ccccc1 1780968966 RLBFICGFBAPCKT-NTKDMRAZSA-N 486.573 -0.311 50 20 JBGD COC(=O)C12CC(C(=O)N3CC[C@]4(CN(C(=O)c5cnccc5C(=O)NN)CCO4)C3)(C1)C2 1783443799 LVKMTBHAZPYRLC-HRTMPFAESA-N 457.487 -0.528 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCc4nc(O)nc(O)c4C3)C[C@@H]21)[C@H](O)CCl 1784085192 CUYYHURRUYDBRW-LTDJIEQWSA-N 454.911 -0.428 50 20 JBGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C2)C1 1785609159 QWUXXAIFWDLMQG-LAPQFRIASA-N 476.958 -0.161 50 20 JBGD COc1ncc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)cc1C 1786270371 TXMXFECLMAGIAW-VDGAXYAQSA-N 453.304 -0.014 50 20 JBGD COC(=O)[C@H]1CC[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)CC1 1793605535 QNAQXWLJQQJZRM-PKVNAZAGSA-N 458.320 -0.451 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1Cc2ccccc2O1 1797227472 WTJUGCHVFGDAJR-VZJWBNGJSA-N 451.483 -0.108 50 20 JBGD CC[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCN(C(C)=O)CC1)C2 1800641275 WLPICNNACYPLOW-KYHPRHEASA-N 459.385 -0.086 50 20 JBGD Cc1ccc(S(=O)(=O)CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)cc1 1801013444 YDQWWKSEWZCZMQ-FAQVEIGNSA-N 480.587 -0.269 50 20 JBGD CNC(=S)NCCC(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807375785 QEHJPCCYQOYQDG-FXAWDEMLSA-N 469.376 -0.435 50 20 JBGD CN1CCN(CC(=O)NC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)CC1 1809600150 DGLPBUQGYBHRGJ-REWPJTCUSA-N 465.363 -0.672 50 20 JBGD Cc1cn2c(=O)c(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)[C@H](O)CCl)CCO4)cnc2s1 1830727658 APBBMCJOIJTLLP-AUUYWEPGSA-N 470.935 -0.266 50 20 JBGD Cc1noc(N)c1C(=O)NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1834698425 UXAGERCAYMFRLP-UHFFFAOYSA-N 455.324 -0.256 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)c3nc[nH]c3[N+](=O)[O-])CC2)CC1)c1ccc(B(O)O)cc1 1834798550 JXSQYOSVFSBVBC-UHFFFAOYSA-N 470.295 -0.503 50 20 JBGD O=C(Cc1cccc(F)c1)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1835021871 HZIKIYMKQCHWAE-HSZRJFAPSA-N 456.279 -0.182 50 20 JBGD Cc1ncccc1CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835927119 GPUSVJAFLODLRW-DEOSSOPVSA-N 467.331 -0.227 50 20 JBGD COc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)cn1 1837456222 KVBGNEULLVNCAD-QFIPXVFZSA-N 470.486 -0.528 50 20 JBGD C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnccc1C(=O)NN)CCO2 1837456884 RPHNFNFBRDQBJG-JOCHJYFZSA-N 461.519 -0.262 50 20 JBGD CNC(=S)NCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)CBr)C2)C1 1837461909 IRRUYPQTQVBSMK-GUYCJALGSA-N 465.414 -0.042 50 20 JBGD CS(=O)(=O)CC(=O)N1CCC(OC2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1837768125 FMEJZRWIROEQPL-UHFFFAOYSA-N 452.338 -0.977 50 20 JBGD C[C@](Cl)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CC(=O)NC3=O)C2)C1 1839150528 OSGJTHCBDXCCIL-DLBZAZTESA-N 451.307 -0.769 50 20 JBGD COCCOCCOCCOCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](Cl)COC)CCO2 1840156100 NLPSURAGZYFZPY-WIYYLYMNSA-N 496.985 -0.607 50 20 JBGD COc1cc2c(cc1OC)[C@@H](CC(=O)NNC(=O)N[C@@H](C)Cn1cncn1)N(S(C)(=O)=O)CC2 749213646 YZFCPZQAEFKWGJ-XJKSGUPXSA-N 495.562 -0.037 50 20 JBGD COC(=O)[C@H]1CC=CC[C@@H]1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786983983 YMBZCBQGMREUIM-MQBSTWLZSA-N 470.331 -0.285 50 20 JBGD C[C@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(=O)n4[nH]cnc4n3)C[C@@H]21 1791057551 FQCJDMFXXLIIFS-ZPFDUUQYSA-N 453.297 -0.206 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)[C@H]1CCc2nc[nH]c2C1 1791526848 QQWLTYREJPWMDQ-STHPQGGCSA-N 452.320 -0.512 50 20 JBGD CC(C)(C)OC(=O)N[C@H]1C[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)C1 1795736860 LHMSGVPZHFLITI-LHMCCDAXSA-N 487.362 -0.127 50 20 JBGD Cc1cc(C(N)=O)cc(C)c1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2 1797736428 GLYFMZOLXMYQCB-UPHUGPLXSA-N 459.547 -0.021 50 20 JBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]c3c1CCCC3)C2 1797750527 JLNNTIPOTXJWHM-IVWMJMPLSA-N 453.503 -0.196 50 20 JBGD COc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CN(C)NC(=O)NCc2ccccc2)nn1C 1799097075 BFNXPCSUSGBEHG-OPMZPASUSA-N 499.572 -0.022 50 20 JBGD Cn1c(=O)c2c(ncn2CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H](F)Br)n(C)c1=O 1800157740 VLBABQYQUVMPSE-FBKDDSFISA-N 485.314 -0.238 50 20 JBGD Nc1n[nH]c(CCC(=O)N2CC[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)n1 1807362423 VOOIMZALGKTUDR-JXFKEZNVSA-N 463.307 -0.586 50 20 JBGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1)c1cc(O)nc(O)n1 1808298238 XMVDFWLPCKJLKP-KXBFYZLASA-N 463.259 -0.404 50 20 JBGD CC(=O)N1CCN(CC(=O)NC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)CC1 1809667872 GKNHEWLVMZBTDE-URXFXBBRSA-N 493.373 -0.755 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H](CNC(=O)c2c[nH]c(=O)cn2)[C@@H]1c1cccnc1 1811449468 OKPPRZICYIBDRZ-KUHUBIRLSA-N 462.470 -0.203 50 20 JBGD O=C(CS(=O)(=O)N1CCCC1)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1818108577 KLNBTPTYXIKDSG-GOSISDBHSA-N 489.363 -0.179 50 20 JBGD O=C(Cc1cnc2ccccn12)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1830658286 APKQAUKEPQMNEA-DEOSSOPVSA-N 478.314 -0.673 50 20 JBGD Cc1nn2cc(CC(=O)N3CCO[C@]4(COCCN(C(=O)c5cccc(B(O)O)c5)C4)C3)nc2s1 1832104270 PURFUPJQDMULQG-JOCHJYFZSA-N 499.358 -0.908 50 20 JBGD O=C(C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2)c1ccccc1 1835929372 MSWGPFMVXKYJKN-QHCPKHFHSA-N 452.272 -0.681 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)[C@H]3COc4ccccc4O3)C2)C1 1835933854 DUPVEMGSJSARSR-ZJSXRUAMSA-N 482.298 -0.724 50 20 JBGD C[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1)n1cccc1C=O 1835954607 MSQHURCKIAMJRV-SBUREZEXSA-N 469.303 -0.688 50 20 JBGD COc1ccccc1OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnccc1C(=O)NN)CCO2 1837456133 JIKBXVVFRGPJTR-DEOSSOPVSA-N 499.524 -0.157 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)c1cn3c(F)cccc3n1)CCO2 1839554971 STJNLRRBSAMICQ-QHCPKHFHSA-N 482.277 -0.463 50 20 JBGD O=C(C(O)O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](Br)Cc1ccccc1)CCO2 1839801524 OUOCAVHEJLBEDO-BEFAXECRSA-N 457.321 -0.240 50 20 JBGD O=C([C@H](O)CCl)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1C[C@@]13C(=O)Nc1ccccc13)CCO2 1840035726 CAIYMEKYVLXVJY-WUVXFVIISA-N 463.918 -0.048 50 20 JBGD COc1cccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)c1C 1840069867 KUQLUPKOCWVBMG-VWLOTQADSA-N 482.342 -0.004 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cn1cnc3ccccc31)CCO2 1840103052 JWWJTOBQPCVQOV-HSZRJFAPSA-N 472.546 -0.134 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CC(=O)N(C4CCCC4)C3)C2)C1 1840182287 DZCIVZQJUXOUTO-KOSHJBKYSA-N 493.605 -0.393 50 20 JBGD Cc1cnn([C@H](C)C(=O)N2CCOC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)c1 1840184749 FDKPYLPQVUWVKG-DYESRHJHSA-N 450.540 -0.418 50 20 JBGD COc1cc2ncn(CCCC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c(=O)c2cc1OC 729274756 CCJDYMJQBIABNR-LLVKDONJSA-N 455.493 -0.721 50 20 JBGD CC(=O)c1cccc(S(=O)(=O)NCC(=O)NNC(=O)c2csc(N3CCOCC3)n2)c1 912852038 CMLMJDPQEWYRMR-UHFFFAOYSA-N 467.529 -0.078 50 20 JBGD COCCNS(=O)(=O)c1cccc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c1 913055088 DRUIYTLKOWBBMR-UHFFFAOYSA-N 484.556 -0.064 50 20 JBGD COc1cc2c(cc1OC)[C@@H](CC(=O)NNC(=O)c1ccc(=O)n(C)n1)N(S(C)(=O)=O)CC2 913161258 GHFJHOJQHXFFCA-OAHLLOKOSA-N 479.515 -0.492 50 20 JBGD CNS(=O)(=O)c1ccc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)o1 915063252 UHBCGPDKECSTKM-UHFFFAOYSA-N 472.501 -0.717 50 20 JBGD C[C@H](NC(=O)c1cnccn1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](O)CCl)C2 1779470759 CGTDLFJJVIOSQT-WBZSCFCESA-N 453.927 -0.292 50 20 JBGD CC(=O)N[C@H](Cc1cccc(F)c1)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1785454081 JJMFCVHTVCFMHP-RDGATRHJSA-N 497.332 -0.304 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ncn(-c4ccccc4)n3)C[C@@H]21)c1ccc(B(O)O)cc1 1786979745 DLKIGIHRJHQMHX-YYWHXJBOSA-N 475.314 -0.146 50 20 JBGD NC[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1)c1ccccc1 1786980019 ZBUNDTLZKJKXNH-FKVLARQCSA-N 451.332 -0.298 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3C[C@@]34C(=O)Nc3ccccc34)C[C@@H]21)c1ccc(B(O)O)cc1 1786983084 IQEUPIYVKCVGBW-UUGAXHFOSA-N 489.337 -0.130 50 20 JBGD Cn1c(=O)n(C)c2cc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)c3cnccc3C(=O)NN)C4)ccc21 1796982980 XXGKVHZDLZKPPS-YVWYUNDQSA-N 493.524 -0.608 50 20 JBGD CN(CC(=O)N1CC[C@@H](CNC(=O)C(O)O)[C@@H]1c1cccnc1)NC(=O)NCc1ccccc1 1802923604 QPXSWSJRKMTUMC-ICSRJNTNSA-N 470.530 -0.256 50 20 JBGD O=C(CN1CCOC1=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1803334489 KKKCUQVHZJPHKY-PXNSSMCTSA-N 452.276 -0.467 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)c2cnc(O)nc2O)[C@@H]1c1cccnc1 1808279335 BZNOEEWYJRQJIR-KDOFPFPSSA-N 457.491 -0.025 50 20 JBGD O=C(NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)c1cc(CO)on1 1811590042 OTRFKMHJEQFGHP-OXJNMPFZSA-N 450.260 -0.125 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)CN2CC(=O)NC2=O)[C@@H]1c1cccnc1 1813071032 OBPCGFUZNPYKCT-FOIQADDNSA-N 459.507 -0.988 50 20 JBGD COc1cc(C(=O)NC2CCN(C3CCN(C(=O)CCC(=O)NN(C)C)CC3)CC2)n(C)n1 1833956025 QTUPCERHTLSFOI-UHFFFAOYSA-N 463.583 -0.013 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)CN3CCOC3=O)CC2)CC1)c1ccc(B(O)O)cc1 1834798131 VJUSNMAWJNVUNK-UHFFFAOYSA-N 458.324 -0.996 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)c3ccncc3O)CC2)CC1)c1cccc(B(O)O)c1 1834801206 QINZEZBOPPYVDZ-UHFFFAOYSA-N 452.320 -0.034 50 20 JBGD Cc1cn(CC(=O)N2CCOC[C@]3(CN(C(=O)CCBr)CCO3)C2)c(=O)nc1O 1834826262 HYDWSIHNZHJWES-SFHVURJKSA-N 473.324 -0.501 50 20 JBGD O=C(COc1ccc(F)cc1)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1834961055 CPMXWAJMYMYTQG-HSZRJFAPSA-N 472.278 -0.346 50 20 JBGD Cc1ccc(OCC(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)cc1 1835162367 KCEWKEJQKPVKQU-XMMPIXPASA-N 468.315 -0.176 50 20 JBGD C[C@@H](NNc1ccccc1)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835926252 JKMHOSGUEPAPPW-HOYKHHGWSA-N 482.346 -0.558 50 20 JBGD CCc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)cn1 1835929524 TZQNQDRPYCACRX-HSZRJFAPSA-N 453.304 -0.292 50 20 JBGD O=C(COc1ccc(O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835934097 NJXFJVMTWPNDAS-HSZRJFAPSA-N 470.287 -0.779 50 20 JBGD CN1CCN(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](F)Br)C3)C2)CC1 1836675919 MZBITMSUDCIGLY-WBVHZDCISA-N 451.337 -0.619 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1 1837457871 UDGACFBHZUAVBM-XMMPIXPASA-N 463.494 -0.193 50 20 JBGD C[C@@H](Oc1cccnc1)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837460744 JTQIPDJZXFQDAB-MWTRTKDXSA-N 484.513 -0.382 50 20 JBGD CCOCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CN(C)NC(=O)NCc1ccccc1)CCO2 1839054168 JJLZGAPTEIFJTB-HSZRJFAPSA-N 477.562 -0.175 50 20 JBGD O=C(Cc1cccc(F)c1F)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1839981656 KFEUFIOGCIFKJL-QHCPKHFHSA-N 474.269 -0.043 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(-c4ccccn4)nc3)C2)C1 1840183407 CLESMNGQCZYSNV-XMMPIXPASA-N 497.556 -0.018 50 20 JBGD Cc1cc(C)n(CCC(=O)N2CCO[C@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)n1 1840346896 WBFRAISFSIHMGM-HSZRJFAPSA-N 485.545 -0.341 50 20 JBGD Cc1cc(C(=O)N2CC3(CCCN3C(=O)c3cccc(B(O)O)c3)C2)n(-c2cccc(=O)n2C)n1 1843013312 GFMMCKXNXUULOX-UHFFFAOYSA-N 475.314 -0.310 50 20 JBGD CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](C(=O)N2CCCC23CN(C(=O)c2ccc(B(O)O)cc2)C3)C1 1845105244 HMNVXMQGELAZMK-ZWKOTPCHSA-N 473.335 -0.589 50 20 JBGD COc1cc2c(cc1OC)[C@@H](CC(=O)NNC(=O)NCCS(C)(=O)=O)N(S(C)(=O)=O)CC2 727942986 QYTGENILIRFTTQ-CQSZACIVSA-N 492.576 -0.672 50 20 JBGD Cn1c(CC(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)nc2ccccc21 914459728 FVYSFSBTQIOETQ-UHFFFAOYSA-N 470.511 -0.303 50 20 JBGD NC[C@H](C(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1)c1ccccc1 1779031778 XRWOSDGINHZGHJ-MBSDFSHPSA-N 452.515 -0.129 50 20 JBGD C[C@@H](C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1)n1ccccc1=O 1779032542 SBNOCEQPSLICEF-OYHNWAKOSA-N 454.487 -0.449 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(C1)CN(C(=O)c1nn[nH]c1C(F)(F)F)CCO2 1779032706 TVZIAVNUUOQBDV-KRWDZBQOSA-N 468.396 -0.421 50 20 JBGD C[C@@H](NC=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CN(C)NC(=O)NCc2ccccc2)C1 1780559565 SEWSCYXKVKZFGH-DRMXPCRNSA-N 488.589 -0.019 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@@]34C(=O)Nc3ccccc34)C2)C1 1783543169 KWHLICIZNITPAR-OWAUWMPXSA-N 475.310 -0.280 50 20 JBGD COC(=O)[C@H]1CC[C@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)C1 1786978825 ZRXXIEQCLVAGPI-TXTPUJOMSA-N 458.320 -0.451 50 20 JBGD CC(=O)NCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN(C)NC(=O)NCc3ccccc3)C[C@@H]21 1790874307 AMJHYYZHLSURCZ-ACRUOGEOSA-N 488.589 -0.162 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc([N+](=O)[O-])cc3c1OCC3)C2)c1cccc(B(O)O)c1 1795740212 FPQUBSBVMOMOKJ-CWPLJXCYSA-N 481.270 -0.274 50 20 JBGD COCCOCCOCCOCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](F)Br 1799347459 PXJIYLSPVQKFPN-YALNPMBYSA-N 485.347 -0.037 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@H](CNC(=O)c2nccnc2C(N)=O)[C@@H]1c1cccnc1 1811187489 OWGWAVKBRGYWBU-LIRRHRJNSA-N 489.496 -0.398 50 20 JBGD O=C(c1ccc(-n2c(O)nnc2O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830732154 SHUCIZSXNBSWBZ-MGPUTAFESA-N 481.893 -0.652 50 20 JBGD CN1CCN(C2(C(=O)N3CCC(N4CCC(NC(=O)[C@H](O)CCl)CC4)CC3)CC2)CC1 1833313510 IPSTYYPZXIOTBC-LJQANCHMSA-N 456.031 -0.062 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1)c1cnn2cccnc12 1835534846 WEXLMAMMZXXEGQ-UHFFFAOYSA-N 476.346 -0.092 50 20 JBGD C[C@@H](Cn1cncn1)C(=O)NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1835808955 WJOBIVWJHLIPKA-KRWDZBQOSA-N 468.367 -0.521 50 20 JBGD O=C(C[C@H]1COc2ccccc2O1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835926949 AFFUEMKBQRNECN-CPJSRVTESA-N 496.325 -0.334 50 20 JBGD C[C@@H]1CCc2c(C(=O)N3CCOC[C@@]4(CN(C(=O)c5cccc(B(O)O)c5)CCO4)C3)n[nH]c21 1835936909 JIXDTUUUCVYUDV-IQMFZBJNSA-N 468.319 -0.477 50 20 JBGD CN(C)c1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)cn1 1835938012 GIADJLNPRJNKES-HSZRJFAPSA-N 468.319 -0.789 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)c3cc(F)cnc3Cl)C2)C1 1835938104 LCSOWMYIJFQIKU-OAQYLSRUSA-N 477.685 -0.062 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccn(C)n3)CCO2)C1 1836059115 AWGYXEBVSGEUDN-OLCUMFGGSA-N 471.518 -0.447 50 20 JBGD C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1)n1cccc1 1837461592 ZBWJFCOAGHBCLD-OPAMFIHVSA-N 456.503 -0.182 50 20 JBGD CC(=O)OC[C@H](OC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)CBr)C2)C1 1837496137 FJNCNWAFNYRZPR-AXHNFQJDSA-N 493.351 -0.031 50 20 JBGD COc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)ccn1 1837976919 MNIGLRGSXFXLOI-JOCHJYFZSA-N 455.276 -0.846 50 20 JBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)n3nc(C)ccc3=O)C2)C1 1840153493 PUBZQIVIPQGFIF-HRAATJIYSA-N 470.954 -0.003 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(O)cc3F)C2)C1 1840184763 AIEKVCIUXRUQHL-NRFANRHFSA-N 452.483 -0.026 50 20 JBGD O=C(CS(=O)(=O)N1CCCC1)N1CCOC[C@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1840187487 DYNUCYDOBYHNPH-INIZCTEOSA-N 458.364 -0.328 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(CN(C(=O)CCS(C)(=O)=O)CCO2)C1 1840549394 MHDZZJHTIGECDX-INKLHFNDSA-N 483.547 -0.989 50 20 JBGD C[C@H](Br)C(=O)N1CC2(CCCN2C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)C1 1841985373 YQZIWAHIIYDREX-NSHDSACASA-N 467.324 -0.580 50 20 JBGD Cc1ccc(=O)n(C(C)(C)C(=O)N2CC3(CCCN3C(=O)c3cnccc3C(=O)NN)C2)n1 1844264691 XNURYOWKLCVTTN-UHFFFAOYSA-N 453.503 -0.197 50 20 JBGD CCn1nc(C(=O)NNC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)c2ccccc2c1=O 16231221 WILPYVGCBJXDJX-UHFFFAOYSA-N 466.458 -0.985 50 20 JBGD Cc1cc(C)n(CC(=O)NNC(=O)NCCN=c2ncnc3n(C)[nH]c(Br)c2-3)n1 729625534 XINBYBAGBYJPOC-UHFFFAOYSA-N 465.316 -0.245 50 20 JBGD O=C(CNC(=O)c1ccccc1I)NNC(=O)[C@@H]1CCS(=O)(=O)C1 732307549 KBJHFSIDPFUNCF-SECBINFHSA-N 465.269 -0.397 50 20 JBGD CCc1ccc(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc1S(=O)(=O)N1CCOCC1 914444990 IXPQCNDBNKQPJO-OAHLLOKOSA-N 459.546 -0.534 50 20 JBGD COc1cc2c(cc1OC)[C@H](CC(=O)NNC(=O)[C@@H]1COCCO1)N(S(C)(=O)=O)CC2 915064899 VBAQWZCMAZHBAA-YOEHRIQHSA-N 457.505 -0.485 50 20 JBGD Cc1cc(C)n(CC(=O)NNC(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)n1 916515949 BCMCTJIDQZLCDD-UHFFFAOYSA-N 464.552 -0.623 50 20 JBGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)CNS(=O)(=O)c2ccc3c(c2)OCCCO3)c1 917108344 HWPVSNSSIWMFQY-UHFFFAOYSA-N 483.524 -0.009 50 20 JBGD CCCS(=O)(=O)CC(=O)NNC(=O)Cn1c(=O)c2c(ncn2CC)n(Cc2ccccc2)c1=O 919843203 XISONWJAFHGGRQ-UHFFFAOYSA-N 490.542 -0.600 50 20 JBGD CN(CC(=O)N1CC[C@@]2(C1)CN(C(=O)C1=NNC(=O)C1)CCO2)NC(=O)NCc1ccccc1 1780968577 NWYFRBOYAPOZRG-JOCHJYFZSA-N 471.518 -0.962 50 20 JBGD C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1783707529 KQUHQNCRWURHKE-IVZQSRNASA-N 461.324 -0.277 50 20 JBGD COc1ccc(CCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)cn1 1786983326 MNVDRNBVCNHFAU-JBACZVJFSA-N 467.331 -0.004 50 20 JBGD C[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21)[C@@H]1SC(=N)NC1=O 1787496546 YJMBQIYBELMUNI-DKDKVSGOSA-N 489.558 -0.919 50 20 JBGD O=C(C#CC1(O)CCCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1788631640 QRPGWYUATOHKJN-JBACZVJFSA-N 454.332 -0.342 50 20 JBGD Cc1n[nH]c(C)c1CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21 1789974798 ZRQANRCNXORXLZ-JVPBZIDWSA-N 455.519 -0.139 50 20 JBGD CC(C)(C)OC(=O)N1C[C@](C)(O)C[C@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)CCl 1792982501 FMUIPKCSODIEIC-TZZQQRSASA-N 475.970 -0.064 50 20 JBGD C[C@@H](CNC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795733069 ZXSWNIQZGDCZBC-RMRDIRSESA-N 475.351 -0.270 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CC(=O)NC1=O)C2 1798522690 MSLAZAGYTZPYJW-DBWKPXFBSA-N 489.441 -0.725 50 20 JBGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cncc(S(C)(=O)=O)c3)CCO2)C1 1833401821 ZVOKBMRFRNEBIA-VQIMIIECSA-N 475.951 -0.191 50 20 JBGD COc1ncc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)cc1C 1834579411 BFVFZBFFXWRSNB-QHCPKHFHSA-N 484.513 -0.219 50 20 JBGD O=C(O)CSCC(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834799222 RHUFBYSSLLOREN-UHFFFAOYSA-N 463.365 -0.631 50 20 JBGD CCS(=O)(=O)CC(=O)N1CCC(N2CCC(NC(=O)c3cnccc3C(=O)NN)CC2)CC1 1835734762 UNIJVLNQXMGXPK-UHFFFAOYSA-N 480.591 -0.695 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC1CCN(C2CCN(C(=O)Cc3cc[nH]n3)CC2)CC1 1835738234 NQCOHSKYVLKOLE-UHFFFAOYSA-N 454.535 -0.164 50 20 JBGD CCOC(=O)c1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)cc1 1835939036 CDAUCDVZUFWDIR-RUZDIDTESA-N 496.325 -0.073 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc4ccc(F)cn34)C2)C1 1837459739 MOPPDQOVUWERJO-QHCPKHFHSA-N 497.487 -0.144 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)n1ccccc1=O)CCO2 1837687068 RBYWTIGGWGJNMD-JVBIRTMNSA-N 498.540 0.000 50 20 JBGD CN1CCN(C2(C(=O)N3CCC(OC4CCN(C(=O)c5ccc(B(O)O)cc5)CC4)CC3)CC2)CC1 1837920157 OCXVLHWLMIMYBD-UHFFFAOYSA-N 498.433 -0.241 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)c1ccn(C(F)F)n1)CCO2 1838033294 IQYAMQHWRUVYSW-FQEVSTJZSA-N 464.234 -0.658 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCC(OC2CCN(C(=O)COc3ccc(O)nn3)CC2)CC1 1838724686 QFJSEDRDKJVMTR-UHFFFAOYSA-N 478.550 -0.067 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1cn3c(F)cccc3n1)CCO2 1839554970 STJNLRRBSAMICQ-HSZRJFAPSA-N 482.277 -0.463 50 20 JBGD C[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)N3CCN(C)CC3)C2)C1 1840034791 XJTMGBICBHQBOK-MDZRGWNJSA-N 461.401 -0.138 50 20 JBGD CCOC(CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1)OCC 1840281756 MCCWYBDVEPMMFB-JOCHJYFZSA-N 479.534 -0.456 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCCn1ccnc1)CCO2 1840385695 RNLLEMDVSSALCF-NRFANRHFSA-N 450.540 -0.507 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)c1nc3c(=O)[nH]c4ccccc4n3n1)C2 1844264392 NDPJTOQOASUOOQ-UHFFFAOYSA-N 487.480 -0.300 50 20 JBGD CC(=O)Nc1ccc(C(=O)N2CC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)cc1O 1782124667 RBFBGMDAEZDWTG-QHCPKHFHSA-N 467.287 -0.212 50 20 JBGD Cn1ncc(Br)c1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786979617 DKZZDJUNPUYZSF-QRTARXTBSA-N 491.151 -0.231 50 20 JBGD COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)n1 1787749701 PAPZBCUMOBIAOX-ZVZYQTTQSA-N 484.274 -0.415 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21 1791291148 NYKAOJHIGLNEMC-QIJPQZMQSA-N 453.540 -0.132 50 20 JBGD Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)c(-n2nccn2)c1 1795734991 FYFFBXVQYJKUQL-OPMZPASUSA-N 475.314 -0.227 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CC(=O)N(C3CCCC3)C1)C2)c1cccc(B(O)O)c1 1795737330 SMCIWJDVSNKGOM-AYMMHLMVSA-N 469.347 -0.639 50 20 JBGD CS(=O)(=O)c1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)cc1 1795737398 CCHOGTAVJPEWGS-OPMZPASUSA-N 486.355 -0.784 50 20 JBGD CC(=O)Nc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)ccn1 1796744139 FJILKJFHTNLVHS-CCWDJLKJSA-N 467.486 -0.445 50 20 JBGD NC(=O)c1ncccc1C(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1804805743 DKCGVVUKSCPOCI-DYESRHJHSA-N 473.298 -0.111 50 20 JBGD C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C2)C1 1829766102 LXQPOIVUNSQMED-UIDGRUEOSA-N 486.529 -0.565 50 20 JBGD CC1CCN(CC(=O)N2CCO[C@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)CC1 1831107510 JUDOGWWEWPIOJX-QFIPXVFZSA-N 453.584 -0.452 50 20 JBGD CN(C)C(=O)NCC(=O)NC1CCN(C2CCN(C(=O)c3cnccc3C(=O)NN)CC2)CC1 1833144752 LWNWSPHQWCJEBH-UHFFFAOYSA-N 474.566 -0.859 50 20 JBGD Cc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)n1 1834048921 CMULAQWURWBBDM-QFIPXVFZSA-N 454.487 -0.228 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)c3cccn4ccnc34)C2)C1 1835936803 DXNBCNGYWSVMEG-HSZRJFAPSA-N 464.287 -0.602 50 20 JBGD Cn1ncc2c(C(=O)N3CCOC[C@@]4(CN(C(=O)c5cccc(B(O)O)c5)CCO4)C3)cccc21 1835936843 GGMFYBRFGMLGTI-XMMPIXPASA-N 478.314 -0.363 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)c3cn4ccccc4n3)C2)C1 1835937432 WECUTYVMGIBMMC-QHCPKHFHSA-N 464.287 -0.602 50 20 JBGD O=C1CCc2ccc(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)c3cccc(B(O)O)c3)CCO4)cc2N1 1835939394 PGMWJIXKUNFAFL-RUZDIDTESA-N 493.325 -0.365 50 20 JBGD O=C(Cc1ccc2c(c1)CCO2)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835939948 PXNGURONXWIALP-RUZDIDTESA-N 480.326 -0.386 50 20 JBGD CN1CCN(C2(C(=O)NC3CCN(C4CCN(C(=O)[C@H](O)CCl)CC4)CC3)CC2)CC1 1836376831 JHNKYHKQIFHKSN-LJQANCHMSA-N 456.031 -0.062 50 20 JBGD CCNC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1837381129 NGBNUACPIZWGPF-HSMVNMDESA-N 453.309 -0.159 50 20 JBGD Cc1cc(C(N)=O)cc(C)c1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1837434127 UADCKAACXYEAPY-RUZDIDTESA-N 495.341 -0.534 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837531879 ZCIGFRLDHMYBPH-IQCWKEAXSA-N 490.517 -0.716 50 20 JBGD CCc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)no1 1838126607 VNNGLTJUHPEIQA-NRFANRHFSA-N 458.475 -0.381 50 20 JBGD NC(=O)c1ncccc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839198413 ZWFUYZSCUHLFJP-DYVFJYSZSA-N 459.272 -0.059 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1CCC(O)CC1)CCO2 1840275086 UCMMIRJTWAXEAW-LGHDPPOTSA-N 461.519 -0.694 50 20 JBGD CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)N2CCCC23CN(C(=O)c2cccc(B(O)O)c2)C3)C1 1846411289 QGXAQHCJBMJMTE-QHCPKHFHSA-N 473.335 -0.445 50 20 JBGD Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)C2)s1 729276244 ZZEUAIWISRHYLW-NWDGAFQWSA-N 452.580 -0.458 50 20 JBGD CC(=O)c1ccc(S(=O)(=O)NCCC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cc1 913155961 LEIQVKOZQOYFCN-UHFFFAOYSA-N 457.472 -0.006 50 20 JBGD N[C@@H](Cc1cccnc1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2 1778058031 PRMVQLGLGLMZNV-YZUZCNPQSA-N 466.347 -0.541 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1Cc3ccccc3CN1)CCO2 1779030324 NYLGHNNZRGHCRX-RDPSFJRHSA-N 464.526 -0.157 50 20 JBGD C[C@@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnccc2C(=O)NN)C1)N1CCN(C)CC1 1779374123 AZGHXAKVZSXEFB-WPSZSDGUSA-N 487.605 -0.552 50 20 JBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2)[C@H]1CC[C@H]2CCC(=O)N2C1 1780605905 SYBXLAGTEBEOAJ-KNDQPZNBSA-N 483.374 -0.105 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O)CCO2 1783935553 VSRJUAKRFOSXSW-MFEFFIJZSA-N 497.593 -0.583 50 20 JBGD C[C@@H](Nc1cnccn1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21 1788627488 FTIWUJZRVQJITN-BODMPHMZSA-N 468.518 -0.431 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1ccc2c(c1)OCCO2 1796787978 MGKYIXGBJSUIMV-UPHUGPLXSA-N 452.272 -0.345 50 20 JBGD O=C1CC(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)=Cc2ccccc2N1 1798437642 QBCMSSWNRMEALZ-BBIADKPPSA-N 475.310 -0.005 50 20 JBGD CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(B(O)O)c1)C2 1800179415 ZMEQWXHWLUWSBO-RDGPPVDQSA-N 475.351 -0.106 50 20 JBGD CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Br)C2 1801287183 RDHNFXXSKIBQRB-BJBXXJATSA-N 460.304 -0.263 50 20 JBGD O=C(NC[C@H]1CCN(C(=O)c2cnc(O)nc2O)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807360412 ASVPDBLTEWMHTO-QAPCUYQASA-N 463.259 -0.404 50 20 JBGD CC(=O)OC[C@@H](OC(C)=O)C(=O)N[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815344005 BGBKVXNLLQNWAF-NVXWUHKLSA-N 489.315 -0.457 50 20 JBGD C[C@H](Cn1cncn1)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1820065535 GDTVJVKXNVCRSN-IUODEOHRSA-N 454.321 -0.024 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cccc([N+](=O)[O-])c3)CCO2)C1 1829623117 CEZYHUVXCZLJHE-HSZRJFAPSA-N 498.496 -0.094 50 20 JBGD CNC(=S)NCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)CBr)CCO2 1830541094 XRPVCMQAGGEXBJ-DYVFJYSZSA-N 465.414 -0.042 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1cnnc(Cl)c1)CCO2 1833206661 DKLQCLXYWCWZEF-HXUWFJFHSA-N 460.683 -0.806 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccccc3)CCO2)C1 1834995878 AASPJLAUTKVSTE-QHCPKHFHSA-N 453.499 -0.002 50 20 JBGD Cc1ccc(OCC(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)cc1 1835162479 NRCMXRHAZKXGRB-DEOSSOPVSA-N 468.315 -0.176 50 20 JBGD N=C(N)NCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](Br)Cc3ccccc3)C2)C1 1835578421 VYIFYRJTIMAMQK-JXFKEZNVSA-N 482.379 -0.068 50 20 JBGD C=CC(=O)N[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1835829665 SFOKJJMAHKNOGF-MRXNPFEDSA-N 456.352 -0.758 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1sc3nccnc3c1N)CCO2 1835881008 LGPYRMZZAOCNBJ-OAQYLSRUSA-N 491.574 -0.284 50 20 JBGD COc1cccnc1CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835927825 XVIQUFKAIJPBJE-XMMPIXPASA-N 483.330 -0.527 50 20 JBGD CC(C)NC(=O)OC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835930996 BWFFGLDGDRCTAO-HSZRJFAPSA-N 491.350 -0.650 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCc4ccoc4C3)C2)C1 1835934305 UYVYSIRALGIBBN-CYFREDJKSA-N 468.315 -0.166 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cn1cc(Cl)cn1)CCO2 1835976614 SFJNOBWNJMCGFI-IBGZPJMESA-N 456.931 -0.634 50 20 JBGD O=C(C1=NO[C@H](c2ccccc2)C1)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1836588316 WTFFNTXAEVUTBJ-WIOPSUGQSA-N 493.325 -0.046 50 20 JBGD C[C@H](CS(C)(=O)=O)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1836874155 MIMLFYPWVNHMRK-MRXNPFEDSA-N 480.392 -0.341 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1837458853 FPCJVYAQLOEKDK-WUKOTQDVSA-N 473.534 -0.773 50 20 JBGD CN(C)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CN(C)NC(=O)NCc1ccccc1)CCO2 1839054234 MZWPDRHAGJEUDO-DEOSSOPVSA-N 490.605 -0.259 50 20 JBGD CN(CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccncn3)C2)C1)NC(=O)NCc1ccccc1 1839054334 UPDMQHLZWOMCSM-DEOSSOPVSA-N 497.556 -0.107 50 20 JBGD CC(=O)NCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](CCl)NC(=O)OC(C)(C)C)C2)C1 1839856667 DBGPAZMPBXQXNK-MGPUTAFESA-N 476.958 -0.289 50 20 JBGD COc1cccc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)CCC(=O)NN(C)C)CCO3)n1 1840182789 VBBWYDGXOMYTBU-QHCPKHFHSA-N 477.562 -0.148 50 20 JBGD CCc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)nn1C 1840185560 PCYFQIVGFCUYOJ-OAQYLSRUSA-N 450.540 -0.575 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC2(CCCN2C(=O)C2CCN(S(C)(=O)=O)CC2)C1 1843837401 FGJWRRYFILTGBD-HZHRSRAPSA-N 478.575 -0.005 50 20 JBGD CCS(=O)(=O)N[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN(C)NC(=O)NCc1ccccc1 1847786581 WMWSDONEPABYRY-WDSOQIARSA-N 494.618 -0.138 50 20 JBGD COc1cc2c(cc1OC)[C@@H](CC(=O)NNS(=O)(=O)c1cnc(C)[nH]1)N(S(C)(=O)=O)CC2 727351471 KVTDGRYFPGZSJY-CQSZACIVSA-N 487.560 -0.006 50 20 JBGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)CNS(=O)(=O)c1cccc(C#N)c1 912848175 NJUPEXABKBIKNE-UHFFFAOYSA-N 464.529 -0.101 50 20 JBGD COc1cc2c(cc1OC)[C@H](CC(=O)NNC(=O)NCCCn1cncn1)N(S(C)(=O)=O)CC2 916376095 AYPOWKXFAORVMD-INIZCTEOSA-N 495.562 -0.035 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)C[C@@H](N)c3cccnc3)CCO2)C1 1779030925 KBSBXKOMUIRVIB-XMSQKQJNSA-N 453.503 -0.386 50 20 JBGD Cc1ccc(=O)n(C(C)(C)C(=O)N2CC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)n1 1779237484 WQXAHFZLTHKONQ-QFIPXVFZSA-N 462.551 -0.510 50 20 JBGD O=C(CN1CCS(=O)(=O)CC1)Nc1ccc(C2(NC(=O)c3cccc(B(O)O)c3)CCC2)cc1 1786688897 KLIOXZNKXPXVCY-UHFFFAOYSA-N 485.371 -0.156 50 20 JBGD COc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)ccc1O 1789600278 RYJXIYXBYJWEPZ-MDKPJZGXSA-N 454.288 -0.012 50 20 JBGD CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21 1789928406 NJCAPJLGOFYYKT-QMHWVQJVSA-N 463.959 -0.159 50 20 JBGD CC(C)(C)OC(=O)N1[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)C[C@H]2C[C@H]21 1795736911 NVFGSBJGYRGALZ-JFLLUYDKSA-N 499.373 -0.033 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H](CNC(=O)[C@@H]2CNC(=O)O2)[C@@H]1c1cccnc1 1803645637 HLSYXXSSYCFASK-COXVUDFISA-N 453.459 -0.492 50 20 JBGD O=C(Cn1cc([N+](=O)[O-])cn1)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1804418452 GXYANTCSYMMFST-UWJYYQICSA-N 478.274 -0.114 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1810301690 CDUDDGPBZUCDEF-UWJYYQICSA-N 488.313 -0.607 50 20 JBGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1cccc(=O)n1O)CC2)c1ccc(B(O)O)cc1 1815337984 YTNDAYFRTNOUFM-CYBMUJFWSA-N 454.273 -0.239 50 20 JBGD CCOC(=O)N[C@@H](O)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCC(=O)NN(C)C)[nH]n1 1819243243 BSBCYOGAZQHVTO-ACJLOTCBSA-N 453.500 -0.161 50 20 JBGD COc1cc(N2CCC(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)[C@@H](O)CCl)CCO4)CC2)ncn1 1830720434 ZNZMFQHOABWVCJ-HTAPYJJXSA-N 497.980 -0.242 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)CN(C)C(=O)C(=O)O)CC1 1831874885 NUONBTKBNLTDJU-MRXNPFEDSA-N 453.540 -0.478 50 20 JBGD O=C([C@H](O)CCl)N1CCOC[C@@]2(C1)CN(C(=O)C(F)(F)C(F)(F)C(=O)O)CCO2 1832246598 KCRXBXDSAMAQJP-NOZJJQNGSA-N 450.769 -0.602 50 20 JBGD COCCn1nccc1C(=O)N1CCC(N2CCC(NC(=O)c3cccc(B(O)O)c3)CC2)CC1 1834799959 IPYBGMYBGSVTOB-UHFFFAOYSA-N 483.378 -0.292 50 20 JBGD COc1ccnc(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)c1 1835931711 YKSHADPLXHYWIK-QFIPXVFZSA-N 455.276 -0.846 50 20 JBGD CC(C)(C)c1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)[nH]n1 1835931728 ZCZSHYCAFVOYFN-HSZRJFAPSA-N 470.335 -0.229 50 20 JBGD CCOC(=O)N[C@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)CBr)C2)C1 1837202716 WRLMIEVGCKDTCV-PBFPGSCMSA-N 466.329 -0.462 50 20 JBGD COc1nc(C)ccc1C(=O)N1CCOC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837458813 DVABYNRJPBGFQF-HSZRJFAPSA-N 484.513 -0.219 50 20 JBGD Cc1nn(C)c(C)c1CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnccc1C(=O)NN)CCO2 1837461177 PZTKGPVJHYQCHJ-HSZRJFAPSA-N 485.545 -0.652 50 20 JBGD Cn1ccc(CC(=O)N2CCC(OC3CCN(C(=O)c4cccc(B(O)O)c4)CC3)CC2)n1 1837921004 RCBSWPIWILFZRU-UHFFFAOYSA-N 454.336 -0.045 50 20 JBGD COc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)c(F)c1 1839290996 JGFKSZYKPXCBDD-HSZRJFAPSA-N 472.278 -0.102 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(O)cc3F)CCO2)C1 1839316722 OMSYNDKDPOKJBX-JOCHJYFZSA-N 473.461 -0.086 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)C1CCC3(CC1)OCCO3)CCO2 1839774122 HAEUSKZGYNYYCZ-HSZRJFAPSA-N 488.346 -0.630 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(CO)c(F)c3)C2)C1 1840186676 CNMQLAIHERYIPG-JOCHJYFZSA-N 466.510 -0.239 50 20 JBGD CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](C(=O)N2CCCC23CN(C(=O)c2cnccc2C(=O)NN)C3)C1 1845106660 BHXLOJQSRYFFOC-IAGOWNOFSA-N 488.545 -0.270 50 20 JBGD CCS(=O)(=O)N1CCC(C(=O)NNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)CC1 726150994 DMBNAYFHODWSIV-UHFFFAOYSA-N 452.942 -0.190 50 20 JBGD CC(C)[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 728385200 PWIUZUSLOOGHTM-CXAGYDPISA-N 489.572 -0.267 50 20 JBGD O=C(Cn1cc(Br)c(O)nc1=O)NNC(=O)C1CCN(c2ncccn2)CC1 728889335 CMZMIPPCGBLXHS-UHFFFAOYSA-N 452.269 -0.435 50 20 JBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2)c1cnc(O)nc1O 1778006323 FSJGZSRHIURJPW-IIBYNOLFSA-N 456.264 -0.991 50 20 JBGD Cn1ncc(Br)c1C(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779029899 BDRDPIWOQXCXAK-IBGZPJMESA-N 492.334 -0.062 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](O)N3CCOCC3)C2)C1 1779096671 WWOCXSOJSFTERP-IFMALSPDSA-N 492.485 -0.386 50 20 JBGD CC(=O)NCC(=O)N1CCO[C@@]2(CCN(C(=O)CN(C)NC(=O)NCc3ccccc3)C2)C1 1780968286 ICSHEWCNHQMWGI-JOCHJYFZSA-N 460.535 -0.701 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)[C@@H]3CC(c4ccccc4)=NN3)C2)C1 1782601070 TZCYMRWBOYEEPS-URXFXBBRSA-N 462.315 -0.424 50 20 JBGD CC(=O)NCC(=O)N1CC[C@]2(C1)CN(C(=O)CN(C)NC(=O)NCc1ccccc1)CCO2 1783142887 WCGVIQGSQFHYMG-QFIPXVFZSA-N 460.535 -0.701 50 20 JBGD C[C@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)CN3CCS(=O)(=O)CC3)CCO2)C1 1783529821 NUYVFFQRXOBHLU-XJKSGUPXSA-N 452.371 -0.670 50 20 JBGD COC[C@@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)CCO2)C1 1783883010 BYLIPMNAFXMCQJ-LAPQFRIASA-N 476.958 -0.161 50 20 JBGD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1785508710 KJFAUKBMWFOTTQ-VURDRKPISA-N 468.271 -0.360 50 20 JBGD Cn1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)c(C(F)F)n1 1787735680 YGNQOLLYMGCSBJ-QRTARXTBSA-N 462.262 -0.055 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1ccccc1C(=O)OCCO 1789250222 POTLKDSJYFQGMW-HSQYWUDLSA-N 496.325 -0.577 50 20 JBGD CN(CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21)NC(=O)NCc1ccccc1 1789724697 LAFAAOMPIATIKK-VJANTYMQSA-N 481.981 -0.088 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1cnn2c1OCCC2 1790370667 GPATVLTUWJAFRK-SNRMKQJTSA-N 454.292 -0.748 50 20 JBGD COc1ccccc1C(=O)N1CC(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](O)CCl)C3)C1 1792812617 MFFWYVOODBNPGD-LORHWOILSA-N 465.934 -0.044 50 20 JBGD CC(C)(C)OC(=O)N1CCN(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](O)CCl)C(=O)C1 1792983057 AIOJITXYGSFEJL-BASYENTBSA-N 488.969 -0.745 50 20 JBGD CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795735918 JNAPWPHPGXVZOB-VPTLXERWSA-N 482.302 -0.142 50 20 JBGD C[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1)[S@@](=O)c1ccccc1 1795741421 WJXAMXSSFHYWSR-VJSWGVQLSA-N 470.356 -0.234 50 20 JBGD Cn1c(=O)c2c(CC(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)[C@H](F)Cl)csc2n(C)c1=O 1796367893 ZFLHNWULXVYENH-JLUCKKNBSA-N 472.926 -0.035 50 20 JBGD Cc1nc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CN(C)NC(=O)NCc2ccccc2)no1 1799094833 BGBPGJLZTUGZTL-OPMZPASUSA-N 485.545 -0.144 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H](O)N2CCOCC2)CC1 1828968399 PZUOHUVNQPBDPD-DENIHFKCSA-N 474.562 -0.431 50 20 JBGD C[C@@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3C(=O)CNC3=O)C2)C1 1830535391 NJFHKPZSPHWKCS-SJCJKPOMSA-N 461.313 -0.974 50 20 JBGD CN(CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cn(C)cn1)CCO2)NC(=O)NCc1ccccc1 1834447368 HRDNJCNYDYZNFZ-XMMPIXPASA-N 499.572 -0.164 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)c3ccc(O)nc3)CC2)CC1)c1ccc(B(O)O)cc1 1834798325 HKUNZZBQUQWVEM-UHFFFAOYSA-N 452.320 -0.034 50 20 JBGD Cc1nc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)c(C)s1 1835927196 LLPMSFRKHCDIAC-QFIPXVFZSA-N 473.360 -0.248 50 20 JBGD CO[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1)c1ccccc1 1835935863 VEAGQFUDIMEDFJ-ZJSXRUAMSA-N 468.315 -0.176 50 20 JBGD Cc1ccc(C(=O)NCC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)cc1 1835941761 OSFHXJMOSMAWCB-VWLOTQADSA-N 495.341 -0.825 50 20 JBGD CO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CN(C)NC(=O)NCc3ccccc3)CCO2)C1 1839054276 QWWRVXLXSCBNDS-FDDCHVKYSA-N 477.562 -0.176 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1c(O)cc(O)cc1O)CCO2 1839373759 XMLMHHZRYHDYBM-OAQYLSRUSA-N 466.491 -0.754 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)c1cccn3nccc13)CCO2 1839538768 IZASRFHNLQQPLA-QHCPKHFHSA-N 464.287 -0.602 50 20 JBGD Cc1ccn2c(C(=O)N3CCO[C@@]4(COCCN(C(=O)c5cccc(B(O)O)c5)C4)C3)cnc2c1 1839601402 XDTYVXHBQUWFGI-XMMPIXPASA-N 478.314 -0.294 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCN3C(=O)OC(C)(C)C)C2)C1 1840182582 NYMUEVRKWIBRLY-GAJHUEQPSA-N 497.593 -0.175 50 20 JBGD Cc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)ncc1[N+](=O)[O-] 1840184439 MSCQCAQDPSAEKO-NRFANRHFSA-N 478.506 -0.259 50 20 JBGD Cn1cc(S(N)(=O)=O)cc1C(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 26561401 ZSAAHGGQCIXVEF-UHFFFAOYSA-N 455.518 -0.468 50 20 JBGD COC(=O)c1cc(S(=O)(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)ccc1Br 728509885 RHZRRXWJEVFTBU-ZETCQYMHSA-N 458.312 -0.517 50 20 JBGD CCN1CCN(CC(=O)NNC(=O)c2cccc(S(=O)(=O)N(CC)CC)c2)C(=O)C1=O 916096600 YMEPJVKSZWFBJN-UHFFFAOYSA-N 453.521 -0.831 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1CCCC1=O)C2 1779373559 YZWWZZRIZICNJH-VGOFRKELSA-N 458.519 -0.565 50 20 JBGD CN1CCN(C2(C(=O)N3CC[C@H]4OCCC[C@@]4(CNC(=O)CCC(=O)NN(C)C)C3)CC2)CC1 1782211995 APGJBEKMXBZGNJ-AUSIDOKSSA-N 478.638 -0.347 50 20 JBGD Cn1c(=O)c2c(ncn2CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C(Cl)Cl)C[C@@H]32)n(C)c1=O 1785190639 URZSQTURSLOYIF-SRVKXCTJSA-N 487.344 -0.783 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1 1788610116 FBZPBDGYXPZSNL-ZYDMBTITSA-N 496.528 -0.588 50 20 JBGD COC[C@@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C[C@@H]21 1791257451 IAYSIAPQMXEBID-AYDFFVQHSA-N 456.883 -0.010 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc(O)n4c3CCCC4)C[C@@H]21 1791291339 SRAZBZBBGWYZIZ-ZOBUZTSGSA-N 462.551 -0.109 50 20 JBGD CS(=O)(=O)c1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)nc1 1794426895 KCYXSIRWDIBCOO-IVWMJMPLSA-N 488.526 -0.999 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc2n(n1)CCCO2 1797437742 SORLBXGPLOULEO-IVWMJMPLSA-N 455.475 -0.819 50 20 JBGD CC(C)(C)n1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)nn1 1797752743 DBFFPOGAJCTVPR-FVCICTRLSA-N 456.507 -0.451 50 20 JBGD COC[C@@H](NC(C)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc([N+](=O)[O-])ccc1OC(C)=O)C2 1797969860 UZTASHZIAFOMGJ-BAAGSCJXSA-N 492.485 -0.126 50 20 JBGD CC[C@@H](NC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN(C)NC(=O)NCc1ccccc1 1799094673 DEEIQDYLMJVNSZ-RCLSDMTESA-N 460.579 -0.080 50 20 JBGD O=C(NC[C@@H]1CCN(C(=O)CN2C(=O)C=CC2=O)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807364529 FVTIJROEEVVXQN-JTSKRJEESA-N 462.271 -0.994 50 20 JBGD COC[C@H](Cl)C(=O)NC[C@H]1CCN(C(=O)c2cc(=O)n3[nH]nnc3n2)[C@@H]1c1cccnc1 1813030080 DIXZDHMVKIQUFB-DVOMOZLQSA-N 460.882 -0.219 50 20 JBGD NNC(=O)c1ccncc1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1nccnc1C(N)=O)CC2 1819797500 DBZFUZHPZFYRFH-SECBINFHSA-N 481.498 -0.430 50 20 JBGD O=C(/C=C/C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2)NCc1ccccc1 1830719620 GUTRKYCKAKFSFG-VWOJUMNXSA-N 465.934 -0.085 50 20 JBGD CC[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3C(=O)CNC3=O)CCO2)C1 1832333796 BSIATAQUJJBILW-SJKOYZFVSA-N 461.313 -0.832 50 20 JBGD O=Cc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)s1 1835935795 RRRHCRDXGLRFOK-NRFANRHFSA-N 458.301 -0.376 50 20 JBGD COc1cccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)c1 1835935876 VPIAHVCRYAQYBC-DEOSSOPVSA-N 468.315 -0.312 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc3ncnn3c1)CCO2 1837166820 JGRCLNKQBWHZBW-JEWPKMHUSA-N 494.512 -0.067 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCC(OC2CCN(C(=O)c3cc(O)nc(O)n3)CC2)CC1 1838080380 JMQPZIYKVMFFLP-UHFFFAOYSA-N 485.501 -0.188 50 20 JBGD COc1ccnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)c1OC 1838840404 MNEBLKMGXZGUNY-HSZRJFAPSA-N 485.302 -0.838 50 20 JBGD CCN(CC)C[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1839676279 GCBWZSHKVZBWPD-JPYJTQIMSA-N 461.368 -0.586 50 20 JBGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccnc3CS(C)(=O)=O)C2)C1 1840150656 OVFFRAXKHUVNRQ-UZLBHIALSA-N 489.978 -0.050 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCNC(=O)c1ccccc1)CCO2 1840800838 UODQNFSBLPOTEB-XMMPIXPASA-N 489.573 -0.364 50 20 JBGD Cc1cn(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)Br)C3)C2)c(=O)nc1O 1840808457 YRKQCCODHKXGKX-FZKQIMNGSA-N 473.324 -0.503 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)C1Cc3ccccc3C1)CCO2 1840942932 WCXIHLIXXBHPKA-RUZDIDTESA-N 464.327 -0.149 50 20 JBGD CC(C)(C)OC(=O)N1CCC(O)(C(=O)N2CCCC23CN(C(=O)c2ccc(B(O)O)cc2)C3)CC1 1841788619 GXBIDPJCPCZDHB-UHFFFAOYSA-N 487.362 -0.055 50 20 JBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cc(S(=O)(=O)NC2CC2)ccc1Br 729274919 HMDULRZGCTVUEI-QMMMGPOBSA-N 483.366 -0.412 50 20 JBGD Cc1nc(S(=O)(=O)N2CCC(C(=O)NNC(=O)CNC(=O)c3cccs3)CC2)cn1C 751212722 XJJDZWKIJLNCDB-UHFFFAOYSA-N 468.561 -0.232 50 20 JBGD O=C(COC(=O)CNS(=O)(=O)c1ccccc1F)NNC(=O)[C@@H]1COc2ccccc2O1 848387836 XIBNIQCHTVLRBB-HNNXBMFYSA-N 467.431 -0.365 50 20 JBGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)[C@@H]1CC(=O)N(C2CC2)C1 919652718 BOXLIOCQBBDDBU-MRXNPFEDSA-N 464.544 -0.202 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@]2(CN(C(=O)CN3C(=O)C=CC3=O)CCO2)C1 1780098764 VJHUEOSUXAZFHD-JOCHJYFZSA-N 486.437 -0.111 50 20 JBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CSCN3C(=O)[C@@H]3CCC(=O)N3)C2)C1 1782873155 HRAXELKFCSRTHK-CJXDPKRBSA-N 488.994 -0.750 50 20 JBGD COC(=O)[C@@H](CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2)NC(=O)OC(C)(C)C 1783784629 ZGJFHDABTWWFRB-LAPQFRIASA-N 477.942 -0.128 50 20 JBGD C[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21)N1C[C@H]2C[C@H]2C1 1788512639 CYECBPLJYYSCGD-RDOJUESESA-N 456.547 -0.381 50 20 JBGD CC(=O)N/C(=C\c1ccco1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1790178481 IMVOUIFRCHJBRZ-OBKPZPLISA-N 481.314 -0.270 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccnc1C(N)=O 1794265898 KVSDLLBQSLGPCW-DBOAAZOQSA-N 467.486 -0.482 50 20 JBGD COC[C@H](NC(C)=O)C(=O)N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815360821 OHDIBEXIOULRGI-HOCLYGCPSA-N 460.321 -0.800 50 20 JBGD O=C(COc1ccc(O)nn1)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1821664810 XFQMPVXYPFIFTJ-INIZCTEOSA-N 466.263 -0.030 50 20 JBGD O=C(CN1C(=O)C=CC1=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1822530116 MHJQGBKTFGZDAG-MRXNPFEDSA-N 451.248 -0.680 50 20 JBGD C[C@@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)nc(O)n3)C2)C1 1830538543 IVXHWMWRFPDPBP-APPDUMDISA-N 459.297 -0.011 50 20 JBGD CC(C)(C)OC(=O)N[C@H](CCO)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1830881822 KWYNCTRGABSLEH-SIFCLUCFSA-N 479.958 -0.682 50 20 JBGD C#CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3cnccc3C(=O)NN)CC2)CC1 1835734455 JVCBWQVYPFNHOA-MRXNPFEDSA-N 456.547 -0.091 50 20 JBGD C[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(=O)n4[nH]cnc4n3)CCO2)C1 1835926155 RAFUTPPNIXEMGH-APPDUMDISA-N 469.296 -0.729 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)c3nnc(-c4ccccc4)o3)C2)C1 1835930632 QXBJSBOVPLNDKJ-DEOSSOPVSA-N 492.297 -0.200 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)c3cc(Cl)c(O)cc3O)C2)C1 1835931083 FIYYQNDTXDIHCP-QFIPXVFZSA-N 490.705 -0.185 50 20 JBGD Cn1ncc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)c1C(F)(F)F 1835935034 CLLVZEOHJVLSMW-HXUWFJFHSA-N 496.251 -0.498 50 20 JBGD CCc1ncsc1C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835937887 ABXGTHFHWHZZKT-NRFANRHFSA-N 459.333 -0.231 50 20 JBGD Cc1cccn2ncc(C(=O)N3CCOC[C@@]4(CN(C(=O)c5cccc(B(O)O)c5)CCO4)C3)c12 1835939589 UIARDFAIVNMYEV-XMMPIXPASA-N 478.314 -0.294 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cn4ccsc4n3)CCO2)C1 1837050052 QFTYBRAOWPNHDY-NRFANRHFSA-N 485.526 -0.222 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=C\C(=O)NC3CC3)CCO2)C1 1837250994 WEGXZOMGFDXCSR-FVKMZTBMSA-N 486.529 -0.588 50 20 JBGD CC(=O)O[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1)C(C)C 1837459394 OBXSJVUPKOKNBH-GCJKJVERSA-N 477.518 -0.657 50 20 JBGD CC[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3ccncc3=O)CCO2)C1 1839665319 YDACPBDIJDBZMX-KSSFIOAISA-N 457.325 -0.127 50 20 JBGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(=O)nc4cccnn34)C2)C1 1840154257 QMBJNHQDPXLXGN-JLTOFOAXSA-N 465.894 -0.587 50 20 JBGD C[C@H](Oc1ccccn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1840424336 ITEHWXNUTQYVJW-SBUREZEXSA-N 469.303 -0.701 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC12CN(C(=O)c1cc(=O)n3[nH]cnc3n1)C2 1843415883 XXEBHGZXVFVWEI-BRJLIKDPSA-N 451.447 -0.631 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)c2nc3c(=O)[nH]c4ccccc4n3n2)C1 1843808916 ZYFYVDBNCNRFHJ-UHFFFAOYSA-N 472.270 -0.619 50 20 JBGD CCOC(=O)C=c1sc(=Cc2cnn(CCCl)c2)c(=O)n1CC(=O)N1CCOCC1 728696523 UPCAJLXZEFUKTG-UHFFFAOYSA-N 454.936 -0.624 50 20 JBGD O=C(CS(=O)(=O)Nc1ccc(N2CCCCC2)cc1)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 743884246 CGUHMDGJMOQURM-OAHLLOKOSA-N 473.577 -0.064 50 20 JBGD CS(=O)(=O)N1CCN(CCNC(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)CC1 749352819 IZDIHQSQRJMMNN-UHFFFAOYSA-N 481.623 -0.894 50 20 JBGD CN1C(=O)c2ccc(S(=O)(=O)NNC(=O)c3cccc(S(=O)(=O)N(C)C)c3)cc2C1=O 861534713 NXCAUWHQBIIYLK-UHFFFAOYSA-N 466.497 -0.214 50 20 JBGD COCCn1cnc2c1c(=O)n(CC(=O)N1CC[C@@H](B(O)O)C1)c(=O)n2Cc1ccccc1 864233811 KLCSJOPWAKXUKX-MRXNPFEDSA-N 455.280 -0.870 50 20 JBGD Cn1nc(SCC(=O)NN=C2C(=O)Nc3cc(OC(F)(F)F)ccc32)c(=O)n(C)c1=O 915049483 SJHQFTCWDJRIQW-UHFFFAOYSA-N 458.378 -0.058 50 20 JBGD O=C(c1nc2c(=O)[nH]c3ccccc3n2n1)N1CC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1778053219 KUERXKXGKRIXBV-VLIAUNLRSA-N 460.878 -0.386 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(C1)CN(C(=O)c1[nH]nc3ncccc13)CCO2 1779030202 JFEBFWLWFJUVAL-NRFANRHFSA-N 450.459 -0.286 50 20 JBGD COc1nccc(C(=O)N2CCO[C@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)c1F 1779030248 LUNGKMOLOQJDPK-NRFANRHFSA-N 458.450 -0.015 50 20 JBGD Cn1nc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cnccc4C(=O)NN)C[C@@H]32)c2c1CCC2 1788022877 ZCOGUZFTHFAPEF-IXDGSTSKSA-N 467.530 -0.186 50 20 JBGD CN(CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nccn1C)NC(=O)NCc1ccccc1 1794874170 WJAPWTCZSPMHKU-OPVJXMOQSA-N 469.546 -0.031 50 20 JBGD COC(=O)[C@H]1CC=CC[C@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795740919 PWMKDYKHFIXQHP-LWASTNQWSA-N 456.304 -0.675 50 20 JBGD CC[C@H](NC(C)=O)C(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807366285 SQMUHIYEYQXWGB-JBACZVJFSA-N 452.320 -0.004 50 20 JBGD CC(=O)OC[C@H](OC(C)=O)C(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1810336260 IGTZPMYJWCLHKN-ILWGZMRPSA-N 497.313 -0.424 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H](CNC(=O)[C@@H](O)N2CCOCC2)[C@@H]1c1cccnc1 1810353164 GKUOWILGFWRFJC-BVZALQNUSA-N 483.529 -0.950 50 20 JBGD Cc1cn(CC(=O)NC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)[C@H]2c2cccnc2)c(=O)nc1O 1814036861 GFYHHBHOGMFFKV-UWJYYQICSA-N 485.545 -0.269 50 20 JBGD Cc1cn(CC(=O)N[C@@H]2CCc3nc(NC(=O)c4ccc(B(O)O)cc4)sc3C2)c(=O)nc1O 1815347605 GKSAKWSHTUXNIK-CQSZACIVSA-N 483.315 -0.680 50 20 JBGD O=C(c1cnc2c(c1)CCNCC2)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830735496 HUOVGZVFEFPDRG-NQIIRXRSSA-N 452.939 -0.561 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1)c1cccc(=O)n1O 1833962067 FHHNYMLAIVGRTB-UHFFFAOYSA-N 468.319 -0.736 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)/C=C/c3cnc[nH]3)CC2)CC1)c1ccc(B(O)O)cc1 1834798831 CWDSSDMXJDUUSI-AATRIKPKSA-N 451.336 -0.012 50 20 JBGD O=C(Cc1ccc2c(c1)OCO2)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1835168941 MAFRDXONMAKYMA-DEOSSOPVSA-N 482.298 -0.592 50 20 JBGD CO[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1)c1ccccc1 1835280593 AOOLEJQSSTXIKN-XUZZJYLKSA-N 468.315 -0.176 50 20 JBGD C[C@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(=O)n4[nH]cnc4n3)CCO2)C1 1835919392 SFMHPAZLGBTJRJ-XIKOKIGWSA-N 483.323 -0.481 50 20 JBGD Cc1cccc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)n1 1835927672 WJBHYLZBWBQLHA-XMMPIXPASA-N 467.331 -0.227 50 20 JBGD COc1cccnc1CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835935283 MRMYFEYEQJUYCL-DEOSSOPVSA-N 483.330 -0.527 50 20 JBGD O=C(c1ccc2cncn2c1)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835936785 DLUYRLUWYONWHM-QHCPKHFHSA-N 464.287 -0.602 50 20 JBGD Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)n(-c2cccc(=O)n2C)n1 1836259146 CYPKDSLBADMJDE-JTSKRJEESA-N 493.948 -0.451 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ccco3)C2)C1 1837456059 BLLBCLQEFZLSKW-JOCHJYFZSA-N 457.487 -0.019 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4cccnn4n3)C2)C1 1837460002 QKNIFVMFOGYXPI-QFIPXVFZSA-N 480.485 -0.888 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc3cccnc3nc1O)CCO2 1839514134 ARZRFRPTCZLGDH-HSZRJFAPSA-N 486.529 -0.222 50 20 JBGD CC[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)CNCP(=O)(O)O)C2)C1 1839963224 DXBLQWNTVQWKTF-WFASDCNBSA-N 472.273 -0.659 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3snnc3C3CC3)C2)C1 1840184239 FBKSYLKAOFTXBI-HXUWFJFHSA-N 466.564 -0.142 50 20 JBGD CCOc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)nn1 1840184998 DBCPXFVDPBYKPZ-OAQYLSRUSA-N 464.523 -0.682 50 20 JBGD C[C@H](NC(=O)c1ccco1)C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 28195554 GUWCCXBLCBMMPG-ZDUSSCGKSA-N 450.473 -0.120 50 20 JBGD CN(C)S(=O)(=O)c1ccc(I)c(C(=O)NNC(=O)C(=O)N2CCCC2)c1 748240280 QZRLVZCIDPYXBJ-UHFFFAOYSA-N 494.311 -0.075 50 20 JBGD COCCNS(=O)(=O)c1ccc(C)c(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)c1 913155922 FAATURDTLZMSTF-UHFFFAOYSA-N 459.488 -0.030 50 20 JBGD Cn1nc(C(=O)NNC(=O)NCCNS(=O)(=O)Cc2ccccc2)c2ccccc2c1=O 916516884 OWMXKZCMTXGHFT-UHFFFAOYSA-N 458.500 -0.003 50 20 JBGD Cc1cc(C(N)=O)cc(C)c1C(=O)N1CC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1779006353 BCPUGFZAZNSHDP-XMMPIXPASA-N 465.315 -0.161 50 20 JBGD O=C(CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2)Nc1ccc(F)cc1 1780875831 CYQJEDCADHVZAW-QHCPKHFHSA-N 469.278 -0.022 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@@]2(CCN(C(=O)C3(N4CCN(C)CC4)CC3)C2)C1 1781110352 UXEYBROOZUQTTQ-HXTHCWADSA-N 485.589 -0.270 50 20 JBGD COc1ccc(C(=O)N2CC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)c(O)c1OC 1781825692 ONEHWAKANAHVHI-QHCPKHFHSA-N 470.287 -0.154 50 20 JBGD CN(CC(=O)N1CCO[C@]2(CCN(C(=O)CSCC(=O)O)C2)C1)NC(=O)NCc1ccccc1 1783959215 SFDTXRMLVJIWQP-QFIPXVFZSA-N 493.586 -0.020 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(CO)c(F)c3)C[C@@H]21)c1cccc(B(O)O)c1 1786986430 ARGYPEYGDBOMLH-CUWPLCDZSA-N 456.279 -0.095 50 20 JBGD COC(=O)c1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)cn1 1787605791 VFFBYFMXOJMNHW-QRFRQXIXSA-N 467.287 -0.545 50 20 JBGD Cc1n[nH]c(C)c1CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1 1788609875 ASIVYVBEEOCLOZ-JVPBZIDWSA-N 455.519 -0.139 50 20 JBGD CS(=O)(=O)c1cncc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)c1 1794320359 DUXCWUGSFHQKCM-ZSBFGKGUSA-N 488.526 -0.999 50 20 JBGD CN(C)NC(=O)CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](O)CNC(=O)OC(C)(C)C)C2 1802333976 FFZPGWVNJAHTSP-QKPAOTATSA-N 455.556 -0.117 50 20 JBGD N=C1NCCN1CC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cnccc2C(=O)NN)CC1 1828926312 FKYBPUUWADKNTP-SFHVURJKSA-N 456.551 -0.242 50 20 JBGD CC(=O)N[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1)C(C)(C)C 1831090107 YJNCEUOOVPLPPZ-MBSDFSHPSA-N 490.561 -0.694 50 20 JBGD CC[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1)N(CC)CC 1831663609 LDIHUTCIONVISY-NFBKMPQASA-N 461.368 -0.443 50 20 JBGD CC(C)N1CCC(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)CC1 1832412492 NBMUKIBCSGELIH-DEOSSOPVSA-N 473.379 -0.443 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)C3=NNC(=O)C3)C2)C1 1832549217 HOLHPCUSAXCDHH-XOBRGWDASA-N 487.941 -0.549 50 20 JBGD CC(C)c1nc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)no1 1832786850 CMHNEEXMIHDGNI-QFIPXVFZSA-N 472.307 -0.815 50 20 JBGD CC(=O)NC(C)(C)C(=O)NC1CCN(C2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1 1833487011 PFBYPGLCILWIDH-UHFFFAOYSA-N 452.600 -0.154 50 20 JBGD COc1cc(C(=O)N2CCC(N3CCC(NC(=O)c4cccc(B(O)O)c4)CC3)CC2)nn1C 1834801341 YXIPJQWHYNJWDM-UHFFFAOYSA-N 469.351 -0.393 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC1CCN(C2CCN(C(=O)CSCC(=O)O)CC2)CC1 1835738123 FUYHVLATPKUVGI-UHFFFAOYSA-N 478.575 -0.312 50 20 JBGD O=C(Cc1cccc(Cl)n1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835927108 GFEFKDKLGAJHDB-QFIPXVFZSA-N 473.722 -0.273 50 20 JBGD COc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)ccn1 1835931143 HEGFPAYMPBXLCK-JOCHJYFZSA-N 455.276 -0.846 50 20 JBGD O=C(/C=C/c1ccc([N+](=O)[O-])o1)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835934313 VDSYRGWIDGNMIE-LHXJMTLCSA-N 485.258 -0.349 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(O)cc3F)C2)C1 1837459509 GOQIACXUFDXVNV-JOCHJYFZSA-N 473.461 -0.086 50 20 JBGD COc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)c1 1838927207 HGBGVSYKGHJQGK-QHCPKHFHSA-N 454.288 -0.241 50 20 JBGD C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1)n1cccc1 1840352731 LSGFOIPRRYZXNR-KSFYIVLOSA-N 456.503 -0.182 50 20 JBGD C[C@H](Oc1ccccn1)C(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779034782 UWJMQKIYXADEIO-NYHFZMIOSA-N 454.487 -0.009 50 20 JBGD COc1cnc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cnccc4C(=O)NN)C[C@@H]32)cn1 1786239883 HQUQNROGLQQSMW-NUTKFTJISA-N 455.475 -0.609 50 20 JBGD CC(=O)Nc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)ccn1 1786979862 MGBOPDKGCMYIDG-IHPCNDPISA-N 466.303 -0.373 50 20 JBGD CC(=O)N[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1)C(C)(C)C 1786982820 INDIVEVLTRFVSV-LEAZDLGRSA-N 459.352 -0.490 50 20 JBGD CC(C)(C)n1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)nn1 1786984890 VUAFJZQAZDBACQ-IEZWGBDMSA-N 455.324 -0.380 50 20 JBGD C[C@@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(=O)n4[nH]nnc4n3)[C@H]2C1 1787270994 NTXYGTQWPBRULY-WDCWCFNPSA-N 454.285 -0.811 50 20 JBGD CC(C)(C)OC(=O)N1CC=C(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)C1 1793224643 HVWITHNRGJNVRC-OPVJXMOQSA-N 485.346 -0.253 50 20 JBGD O=C(Cc1cc([N+](=O)[O-])ccc1F)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1793806231 ZGSIFVMHLBIWJY-VPTLXERWSA-N 471.250 -0.140 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCS(C)(=O)=O)C2 1796446012 JKJWPKIPKAZSFA-MADJGSHVSA-N 453.521 -0.855 50 20 JBGD C[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)[S@@](=O)c1ccccc1 1800213297 VCYAZZWCCCYEEO-VJSWGVQLSA-N 470.356 -0.234 50 20 JBGD C[C@@H](CS(C)(=O)=O)C(=O)N1CCCC2(CCN(C(=O)c3ccc(B(O)O)cc3)CC2)C1 1806043847 RQIAHBFOORXQQG-INIZCTEOSA-N 450.366 -0.108 50 20 JBGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1)c1cc2n(n1)CCNC2=O 1806082812 YSHFBBAFGOLICC-LAUBAEHRSA-N 488.313 -0.665 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCC2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)CC1 1809976933 ZGBQCVYIZZBOPY-UHFFFAOYSA-N 450.109 -0.795 50 20 JBGD Cc1cn(CC(=O)N2CCC3(CCCN(C(=O)c4cccc(B(O)O)c4)C3)CC2)c(=O)nc1O 1809977629 FVDUUFWHCYPODP-UHFFFAOYSA-N 468.319 -0.518 50 20 JBGD Cc1cc(C(=O)NCC(=O)NC[C@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)no1 1810375110 FYWYFIKTNUXVDP-GCJKJVERSA-N 491.313 -0.193 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)Cn2ccncc2=O)[C@H]1c1cccnc1 1813073118 HKIQZMBUVPIAPR-VGSWGCGISA-N 455.519 -0.283 50 20 JBGD COC[C@H](NC(C)=O)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827057518 HGGIFWHRGIQCFY-LEWJYISDSA-N 459.352 -0.249 50 20 JBGD CCOC(=O)N[C@H](O)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cnccc2C(=O)NN)CC1 1828924086 IOMBVOBBRUULBT-PKOBYXMFSA-N 476.534 -0.017 50 20 JBGD COC[C@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H](N)CN)CCN2C(=O)OCc2ccccc2)C1 1829049673 ISKTYIOISOFIDK-SPEDKVCISA-N 481.981 -0.022 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C(O)O)C2)C1 1829355701 FGUQFAQKDKKXLT-HSZRJFAPSA-N 491.545 -0.878 50 20 JBGD O=C(c1ccc2nc(CO)[nH]c2c1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830727859 IKHOGIVOQIPOOQ-OXJNMPFZSA-N 452.895 -0.275 50 20 JBGD COC(=O)CSCC(=O)N1CCO[C@@]2(COCCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C2)C1 1831442597 FAEDODISWZSSRJ-VQYZLWMVSA-N 495.558 -0.517 50 20 JBGD CC(=O)C(=O)N1CCO[C@]2(COCCN(C(=O)CN(C)NC(=O)NCc3ccccc3)C2)C1 1834720831 WKLYTFBNJQYTOG-QFIPXVFZSA-N 461.519 -0.622 50 20 JBGD CO[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1)c1ccccc1 1834922026 AOOLEJQSSTXIKN-QPPBQGQZSA-N 468.315 -0.176 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC1CCN(C2CCN(C(=O)[C@H]3CNC(=O)C3)CC2)CC1 1835738147 IKOVQXLMUCWKLW-CQSZACIVSA-N 457.535 -0.994 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3cnn(C)c3)CCO2)C1 1835987134 XQHYRIQIDWVSTE-OINMWHHXSA-N 485.545 -0.057 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(CN(C(=O)c3cn4ccsc4n3)CCO2)C1 1837050054 QFTYBRAOWPNHDY-OAQYLSRUSA-N 485.526 -0.222 50 20 JBGD COc1ccnc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)c1 1837459648 VCXDBXDZXGCAKE-QFIPXVFZSA-N 470.486 -0.528 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc4ncnn4c3)CCO2)C1 1839048523 FCMCDGMFVVIZSD-HSZRJFAPSA-N 494.512 -0.960 50 20 JBGD CN(CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@](C)(Cl)CCl)C2)C1)C(=O)C(=O)O 1839703888 LJBYLOFJWDLDPQ-DLBZAZTESA-N 454.307 -0.778 50 20 JBGD C[C@H](NC(=O)c1ccccc1)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1840900098 IUOVRXSAVFRIEU-HZUJVAHNSA-N 453.923 -0.139 50 20 JBGD Cc1cn2c(=O)c(C(=O)N3CC4(CCCN4C(=O)c4ccc(B(O)O)cc4)C3)cnc2s1 1843011293 PKNGPIBQDPOFID-UHFFFAOYSA-N 452.301 -0.125 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC12CN(C(=O)CS(=O)(=O)N1CCCC1)C2 1843416014 OEILOCKGEFBYOZ-PXLXIMEGSA-N 464.548 -0.251 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CC2(CCCN2C(=O)CN(CCO)CCO)C1 1846033018 DEVMGLWTFNFPGI-HNNXBMFYSA-N 462.975 -0.392 50 20 JBGD Cn1c(=O)c2cc(C(=O)NNC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)cnc2n(C)c1=O 45849502 KYNVHDQSNIIWNE-UHFFFAOYSA-N 486.510 -0.509 50 20 JBGD CC(=NNC(=O)[C@H](C)NS(C)(=O)=O)c1ccc(S(=O)(=O)N2CCC(C(=O)O)CC2)cc1 728436565 QKBRSPLFJBFHIW-ZDUSSCGKSA-N 474.561 -0.050 50 20 JBGD CC(C)NC(=O)C(=O)NNC(=O)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(C)C 744447079 VUDJZCFRMQHLCP-MRXNPFEDSA-N 456.521 -0.177 50 20 JBGD CSCC[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 919884516 HAJBFKJWIUFSPC-WCQYABFASA-N 482.581 -0.257 50 20 JBGD O=C(NNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)N[C@H]1CCS(=O)(=O)C1 919885197 NSDRBCOQRCCELH-OCCSQVGLSA-N 462.525 -0.256 50 20 JBGD CSCC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 919885599 MXZKWZZPVBSBHM-TZMCWYRMSA-N 464.591 -0.396 50 20 JBGD Cc1ccn2c(=O)c(C(=O)N3CC[C@@]4(CN(C(=O)c5ccc(B(O)O)cc5)CCO4)C3)cnc2c1 1777995712 OXBUKRDWBPVSJM-DEOSSOPVSA-N 476.298 -0.560 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1C(=O)CNC1=O)C2 1778091689 NIIXVEMKXSEMAZ-APMZDYGOSA-N 487.517 -0.814 50 20 JBGD COc1cccc(CC(=O)N2CCO[C@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)n1 1779029427 XGABFOSLCHCRBP-JOCHJYFZSA-N 454.487 -0.225 50 20 JBGD C[C@H](C(=O)N1CC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1)N1CSCSC1 1779146529 SUHUGAIHMWHMBK-FOIQADDNSA-N 465.406 -0.147 50 20 JBGD COC(=O)c1ccc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)cc1 1784157484 WFFYDGJCWVUDJO-XMMPIXPASA-N 466.299 -0.161 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1ccc3c(c1)OCO3)C2)c1cccc(B(O)O)c1 1795737501 OSHULMJRCIUXES-FEJSZKPUSA-N 466.299 -0.069 50 20 JBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cnc3ccccn13)C2 1797748479 FEOXSKSWCVBABA-USGNIVHTSA-N 463.498 -0.221 50 20 JBGD CN(CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1c[nH]c(=O)cn1)NC(=O)NCc1ccccc1 1798635011 PJROEKITOJQTSN-UPHUGPLXSA-N 483.529 -0.681 50 20 JBGD O=C(NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1)c1cc2n(n1)CCNC2=O 1806082813 YSHFBBAFGOLICC-UTKZUKDTSA-N 488.313 -0.665 50 20 JBGD O=C(CCN1CCOCC1)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1806950419 HDIRTZJROPDSQF-NZQKXSOJSA-N 466.347 -0.197 50 20 JBGD C[C@@H](C(=O)N[C@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1)N1CCN(C)CC1 1815343599 CMZGEKXIIPNTBM-YOEHRIQHSA-N 471.392 -0.315 50 20 JBGD O=C(C[C@H]1COc2ccccc2O1)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1831228956 QCYTXBCTWKKBOJ-NBGIEHNGSA-N 496.325 -0.334 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(B(O)O)c2)CC1 1831871821 XKOJMMOWDCIOQM-FQEVSTJZSA-N 458.368 -0.027 50 20 JBGD CC[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)CCN3C(=O)C=CC3=O)CCO2)C1 1832025500 ZARAWPKCDLFQIO-AUUYWEPGSA-N 472.336 -0.069 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)c3cncc(O)c3)CC2)CC1)c1ccc(B(O)O)cc1 1834799228 RUQMHPRNSQDMJN-UHFFFAOYSA-N 452.320 -0.034 50 20 JBGD Cc1cc(C(=O)N2CCC(N3CCC(NC(=O)c4cccc(B(O)O)c4)CC3)CC2)n(C)n1 1834801239 VMFZAKBEOAWYMR-UHFFFAOYSA-N 453.352 -0.093 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC1CCN(C2CCN(C(=O)[C@H]3CCC(=O)N3)CC2)CC1 1835118326 PLJXKNMFRSRUTE-PYNCTGKJSA-N 471.562 -0.029 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)c3cnoc3C3CC3)C2)C1 1835929470 QKTBLAFVIKQQMP-JOCHJYFZSA-N 455.276 -0.384 50 20 JBGD COc1ccccc1OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835933913 GMSSYQNPJBZJLI-XMMPIXPASA-N 484.314 -0.476 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)Cc3ccccc3)C2)C1 1835940048 ULQDJRNKEVWJKT-XUZZJYLKSA-N 468.315 -0.960 50 20 JBGD CN(CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCCO1)CCO2)NC(=O)NCc1ccccc1 1836223455 VILJLJAUJVXNRP-HYBUGGRVSA-N 489.573 -0.032 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccn3ccnc13)CCO2 1837000720 ZJGTVHVMOQOPCR-QHCPKHFHSA-N 479.497 -0.283 50 20 JBGD C[C@H](NNc1ccccc1)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837456348 KYUXZJPBVIDXJL-XDHUDOTRSA-N 497.556 -0.240 50 20 JBGD Cn1cc(CC(=O)N2CCC(OC3CCN(C(=O)c4cccc(B(O)O)c4)CC3)CC2)cn1 1837922119 NNLGYUOUMDXJCT-UHFFFAOYSA-N 454.336 -0.045 50 20 JBGD CC[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3C(=O)C=CC3=O)C2)C1 1839966911 UBOMVIKGVKTRLQ-SCLBCKFNSA-N 458.309 -0.459 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4nccn4c3)C2)C1 1840184504 RBFJXHISWIEPGN-QFIPXVFZSA-N 458.519 -0.223 50 20 JBGD Cn1nc(Br)c2c(=O)n(CC(=O)NNC(=O)[C@@H]3COc4ccccc4O3)cnc21 727063026 FMXJAZHOVZVULW-NSHDSACASA-N 463.248 -0.120 50 20 JBGD CCn1nc(C(=O)NNC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)c2ccccc2c1=O 914457238 OWSPPWADJFMYQL-OLZOCXBDSA-N 461.500 -0.787 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)CCC(=O)N3CCCC3)CCO2)C1 1779029424 XFLQIKVTDGQIQD-QFIPXVFZSA-N 458.519 -0.469 50 20 JBGD CN(CC(=O)N1CC[C@@]2(CN(C(=O)CCS(C)(=O)=O)CCO2)C1)NC(=O)NCc1ccccc1 1780969960 QFLYUECNPRKTSH-QFIPXVFZSA-N 495.602 -0.403 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@H]3CCCCO3)[C@H]2C1 1788661483 UPAGQYKKJQVWJP-QIJPQZMQSA-N 453.540 -0.132 50 20 JBGD COc1nccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)c1F 1797750518 IUESXPPNDHFUJG-DPIQGUFMSA-N 458.450 -0.255 50 20 JBGD CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(B(O)O)cc2)C3)C1 1799980503 BCAWFBOUMUEVAG-LJDSDSDDSA-N 487.362 -0.154 50 20 JBGD C[C@@H](O)[C@H](NC(=O)c1ccccc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C 1801008947 JIMKKUGJHQWVAN-WVIAUDPISA-N 489.573 -0.872 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)CN(C)C(=O)C(=O)O)[C@@H]1c1cccnc1 1813073594 KRUKKPZZWXVVJH-DNVCBOLYSA-N 462.507 -0.997 50 20 JBGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)[C@@H]2CCCS2(=O)=O)[nH]n1)c1ccc(B(O)O)cc1 1817475985 YMFOKYXUJMJTOY-IRXDYDNUSA-N 460.321 -0.027 50 20 JBGD CC(=O)N1CCN(CC(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cnccc3C(=O)NN)[nH]n2)CC1 1818965267 LZSDFIDGEQUQQP-IBGZPJMESA-N 497.560 -0.122 50 20 JBGD CN(CC(=O)N1CCOC[C@]2(C1)CN(C(=O)C(=O)C1CC1)CCO2)NC(=O)NCc1ccccc1 1830601431 ADRQAIYNKNUKDM-DEOSSOPVSA-N 487.557 -0.232 50 20 JBGD Cc1nn(C)c(C)c1C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1831808716 LCJGAAYZDLSETL-QFIPXVFZSA-N 456.308 -0.899 50 20 JBGD CC(=O)N(C)[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834798629 SIOWQULKKGZJFP-INIZCTEOSA-N 458.368 -0.582 50 20 JBGD C[C@@H](C(=O)NC1CCN(C2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1)[C@H]1SC(=N)NC1=O 1835113042 AYLJDDKCDDVKBS-AUUYWEPGSA-N 495.650 -0.267 50 20 JBGD CC(C)N1CCC(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)CC1 1835927549 SQQNTCUPWQGDIY-DEOSSOPVSA-N 473.379 -0.443 50 20 JBGD COc1cccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)n1 1835935217 HXEPDAFPYCUSSX-HSZRJFAPSA-N 469.303 -0.917 50 20 JBGD C[C@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCN(C)CC3)CCO2)C1 1836666694 VMVWPGLBPXPVIR-VQIMIIECSA-N 461.401 -0.279 50 20 JBGD O=C1Nc2ccccc2/C1=C/C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1837322852 NTIUCGBUAUVPPW-RFAVJAEMSA-N 491.309 -0.528 50 20 JBGD CC[C@@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)CN(C)NC(=O)NCc3ccccc3)CCO2)C1 1839054026 CIYVMLHWXMTKDZ-AUSIDOKSSA-N 477.562 -0.440 50 20 JBGD Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)cc2c[nH]nc12 1839510954 WZJUANGSRYCKAK-DEOSSOPVSA-N 478.314 -0.065 50 20 JBGD CC[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](COC)NC(C)=O)C2)C1 1839964795 CRNHNPGFLASAPJ-MPGHIAIKSA-N 464.357 -0.233 50 20 JBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCNC(=O)OC(C)(C)C)C2)C1 1840154688 CQPPDXYUGYMZKY-GCKMJXCFSA-N 493.985 -0.028 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1CCc2nc(O)nc(O)c2C1 1848214870 PYUMBCTVBAEBHD-NVGVWMPQSA-N 467.486 -0.493 50 20 JBGD O=C(CNS(=O)(=O)c1ccc2c(c1)OCCCO2)NNC(=O)c1csc(N2CCOCC2)n1 912852232 ULBLGBUTEAEPFS-UHFFFAOYSA-N 497.555 -0.120 50 20 JBGD N[C@@H](Cc1cccnc1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2 1778057528 DLNMCYDUYMFECX-YZUZCNPQSA-N 466.347 -0.541 50 20 JBGD CN(CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc(O)n[nH]1)CCO2)NC(=O)NCc1ccccc1 1780969481 HGJNRXWNYYWINS-JOCHJYFZSA-N 471.518 -0.095 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(CN(C(=O)CCN3C(=O)c4ccccc4C3=O)CCO2)C1 1783933644 TWTMDZTVACEFMB-DEOSSOPVSA-N 485.541 -0.124 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3cnccn3)C[C@@H]21 1788611467 ZHXXUCYVGLWFKC-JVPBZIDWSA-N 453.503 -0.299 50 20 JBGD CC(C)(C)OC(=O)N1CCOC[C@@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)CCl 1792975312 NMIGWRLJCYLRGD-YIDVYQOGSA-N 461.943 -0.188 50 20 JBGD CC(C)(C)OC(=O)NCCOCCOCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)CCl 1792975805 YRLBLBBJUMJYMM-DFGXFYAUSA-N 493.985 -0.266 50 20 JBGD CC(C)(C)OC(=O)NCCOCCOCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)CCl 1792975808 YRLBLBBJUMJYMM-KYHPRHEASA-N 493.985 -0.266 50 20 JBGD COCCOCCOCCOCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](Cl)COC)C2 1799382653 DFEBKYQMBLCRKC-AJYBTWMASA-N 480.986 -0.084 50 20 JBGD C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)[S@](=O)c1ccccc1 1800213280 UXAHZLCSMUWNIF-SUWCKCOHSA-N 470.356 -0.234 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCC2(CCCN(C(=O)CN3CC(=O)NC3=O)C2)CC1 1806696594 LHFBQTRFECUODD-UHFFFAOYSA-N 457.491 -0.918 50 20 JBGD C[C@@H](C(=O)N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1)N1CCN(C)CC1 1815360176 PWVALNKVGBEPMO-YOEHRIQHSA-N 471.392 -0.315 50 20 JBGD CNc1nsnc1C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1829759042 QNXNCOIBFIBDPP-SFHVURJKSA-N 455.541 -0.977 50 20 JBGD O=C([C@H](O)CCl)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CC(=O)N(C4CCCC4)C3)C2)C1 1830726859 UTQOQOMNWQOZDY-CEQIKUNHSA-N 457.955 -0.166 50 20 JBGD O=C([C@@H](O)CCl)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@@]34C(=O)Nc3ccccc34)C2)C1 1830739052 XFQNXQBJJMLEFI-LSHXESDTSA-N 463.918 -0.048 50 20 JBGD Cc1ccccc1NCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1835863025 UXUKLPHQXYJEOG-XMMPIXPASA-N 467.331 -0.143 50 20 JBGD COc1nccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)c1F 1836235785 AAEKPTJRDQBBJB-QFIPXVFZSA-N 473.266 -0.707 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)c1n[nH]c3c(F)cccc13)CCO2 1837057016 JTXFCDHUDDGAMG-QHCPKHFHSA-N 482.277 -0.234 50 20 JBGD COc1ccnc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)c1 1837459647 VCXDBXDZXGCAKE-JOCHJYFZSA-N 470.486 -0.528 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(-c3cccnc3)[nH]n1)CCO2 1838027612 DELDFCIGJHHJRI-XMMPIXPASA-N 491.313 -0.465 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCC(OC2CCN(C(=O)CN3C(=O)C=CC3=O)CC2)CC1 1838395467 UVLURFRUCIJRHD-UHFFFAOYSA-N 484.513 -0.778 50 20 JBGD CC(=O)N1CCN(CC(=O)N2CC3(CCCN3C(=O)CN(C)NC(=O)NCc3ccccc3)C2)CC1 1845038961 MZTNIKLJDOHBSM-UHFFFAOYSA-N 499.616 -0.300 50 20 JBGD NC(=O)CNC(=S)NNC(=O)c1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)cc1 727069235 TWCWQVWYQLKSAQ-UHFFFAOYSA-N 490.611 -0.213 50 20 JBGD O=C(CS(=O)(=O)CC(=O)Nc1cccc(Br)c1)NNC(=O)[C@@H]1CCS(=O)(=O)C1 915832324 SGZWZECQUMUWOT-SNVBAGLBSA-N 496.361 -0.616 50 20 JBGD CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NNC(=O)CN2CCCC2=O)o1 920435599 KQVHUJZDRTYIBL-LBPRGKRZSA-N 456.477 -0.621 50 20 JBGD C[C@H](C(=O)N1CC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1)N1CSCSC1 1779146531 SUHUGAIHMWHMBK-QRWLVFNGSA-N 465.406 -0.147 50 20 JBGD CCS(=O)(=O)N[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](F)Br)C[C@@H]21 1784445326 IAMFYRRIQUURNA-PJSNJIKXSA-N 458.350 -0.016 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21)[C@H]1CCc2nc(O)nc(O)c2C1 1785329052 ZGCGNPDBFUXSGC-LTDJIEQWSA-N 454.911 -0.428 50 20 JBGD C[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21)[C@H]1SC(=N)NC1=O 1787499145 VLWGVCFMKPEHIJ-PYXYIPKBSA-N 468.580 -0.858 50 20 JBGD CC(=O)N1CCN(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](F)Br)[C@H]3C2)CC1 1789926368 VHFRNASXERWVDK-JKQORVJESA-N 463.348 -0.179 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(=O)n3[nH]cnc3n1)C2 1796892046 DAKZLIGUEXDKLQ-BTSNSQKGSA-N 465.474 -0.197 50 20 JBGD CN(CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc(O)[nH]1)NC(=O)NCc1ccccc1 1798183026 ROEHPXSMUJZKTN-HGKCTWBKSA-N 471.518 -0.335 50 20 JBGD O=C([C@H](O)CCl)N1CCO[C@]2(COCCN(C(=O)[C@@H]3[C@@H](O)CCN3Cc3ccccc3)C2)C1 1830736052 QQZUUFAVAHUCMH-FAKFISEUSA-N 481.977 -0.322 50 20 JBGD CC(=O)OC[C@H](OC(C)=O)C(=O)N1CCC(N2CCC(NC(=O)[C@H](O)CCl)CC2)CC1 1833312688 XGLICWINHQFDFY-MSOLQXFVSA-N 461.943 -0.348 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCC(OC2CCN(C(=O)CN3CCOC3=O)CC2)CC1 1836786580 SLYUMBYCCKCRJQ-UHFFFAOYSA-N 474.518 -0.251 50 20 JBGD CCNC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1837381132 NGBNUACPIZWGPF-XHBSWPGZSA-N 453.309 -0.159 50 20 JBGD Cn1ncc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)c1Cl 1838307388 JAHMQCIUOVAYPC-HXUWFJFHSA-N 462.699 -0.863 50 20 JBGD COc1cccc(OC)c1C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1838881828 VJXOPMPEHHARKD-DEOSSOPVSA-N 484.314 -0.233 50 20 JBGD C[C@H](NC(=O)c1ccccc1)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1840900099 IUOVRXSAVFRIEU-LUQKVYGDSA-N 453.923 -0.139 50 20 JBGD CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N1CCCC12CN(C(=O)c1ccc(B(O)O)cc1)C2 1845221947 CMTICASJKWUGTD-KRWDZBQOSA-N 461.324 -0.541 50 20 JBGD CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)N([C@H]3CCS(=O)(=O)C3)N(C)C)c2)CC1 1317732512 WYZKAWXGPOOUJQ-KRWDZBQOSA-N 472.589 -0.355 50 20 JBGD CN(C)c1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)nc1 1779028181 GIZVZGBPJGQSMJ-QFIPXVFZSA-N 453.503 -0.097 50 20 JBGD CSCC[C@@H](O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnccc2C(=O)NN)C1 1779375563 PQUGKCPNVMXZJU-CBGDNZLLSA-N 465.576 -0.073 50 20 JBGD Cc1cc(C(N)=O)cc(C)c1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1788596738 VJEHCWFVDMMTEK-YYWHXJBOSA-N 479.342 -0.011 50 20 JBGD COC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1796392380 MTIDWHRHRIXGCJ-UKBAYJJMSA-N 491.350 -0.891 50 20 JBGD CN(CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)n1)C2)NC(=O)NCc1ccccc1 1799094713 GMQONVAHIPCEPS-CWPLJXCYSA-N 499.528 -0.563 50 20 JBGD CC[C@H](NC(N)=O)C(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807365034 VFZGPXUWMWUCEY-YTQUADARSA-N 453.308 -0.472 50 20 JBGD CCOC(=O)N[C@@H](O)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827052256 RIQYBRAKDIIECW-MOPGFXCFSA-N 461.324 -0.336 50 20 JBGD NCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCN2C(=O)OCc1ccccc1 1829000249 FOKNQOWTQKXZMM-DEOSSOPVSA-N 480.330 -0.609 50 20 JBGD O=C([C@@H](O)CCl)N1CCOC[C@@]2(C1)CN(C(=O)C(F)(F)C(F)(F)C(=O)O)CCO2 1832246602 KCRXBXDSAMAQJP-TVQRCGJNSA-N 450.769 -0.602 50 20 JBGD Cc1nnc(CC(=O)N2CCC(N3CCC(NC(=O)c4cccc(B(O)O)c4)CC3)CC2)s1 1834801205 UFXRGEAIKHURGO-UHFFFAOYSA-N 471.392 -0.046 50 20 JBGD Cc1noc(C)c1CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835934087 MVPAQNGTLKZTLH-JOCHJYFZSA-N 457.292 -0.716 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)c3cc4ncccc4[nH]3)C2)C1 1835939301 LLXMQBWAJDYRCW-QHCPKHFHSA-N 464.287 -0.374 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)c1cc3cnccc3[nH]1)CCO2 1837100978 BTBWWLCJTKMRKX-QHCPKHFHSA-N 464.287 -0.374 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccn3nccc3c1)CCO2 1837156435 AOEDOXCJENBWSV-HSZRJFAPSA-N 464.287 -0.602 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn4ccccc34)C2)C1 1837459199 MKYCKHBOHRQNBB-HSZRJFAPSA-N 479.497 -0.283 50 20 JBGD COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)c1 1838582122 CGEGVNYTKAWZSU-XMMPIXPASA-N 494.508 -0.051 50 20 JBGD C[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)CCBr)C2)C1)N1CCN(C)CC1 1839101643 NOZDOPMWCXBWAA-QFBILLFUSA-N 461.401 -0.136 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc([N+](=O)[O-])cc1F)CCO2 1839277899 QTNXQNSMROIXFU-JOCHJYFZSA-N 487.249 -0.203 50 20 JBGD C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1)N1C[C@H]2C[C@@H]2C1 1840184367 IPKPTDMSHCEBPW-IDVKNYFZSA-N 451.568 -0.844 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)CC(=O)Nc3ccc(F)cc3)C2)C1 1840185551 TVHYSPQXEXCEKM-QHCPKHFHSA-N 493.536 -0.016 50 20 JBGD O=C(NC[C@H]1CN2CCC[C@@H]2CO1)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 729619696 RVPAVRKSAUKPGS-SJORKVTESA-N 467.548 -0.485 50 20 JBGD Cc1nc(S(=O)(=O)NCCC(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cn1C 750665382 YMVHTNZBMRTGNH-UHFFFAOYSA-N 498.587 -0.357 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)[C@@H]3CN(Cc4ccccc4)CCO3)C2)C1 1778274730 GJBPXOQGFYYPFF-JYFHCDHNSA-N 493.369 -0.289 50 20 JBGD CCOc1cnc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)cn1 1779028362 JWFMHDPYRGKQOH-OAQYLSRUSA-N 455.475 -0.369 50 20 JBGD O=C(/C=C/C(=O)N1CC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2)NCc1ccco1 1779207842 NJDUOJRBMNHDGQ-YQTDCCHMSA-N 467.287 -0.725 50 20 JBGD CC[S@](=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2 1779221743 IPDATFMTYJZRHB-CYWNGJLWSA-N 450.366 -0.347 50 20 JBGD CN(CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1CCNC(=O)C1)CCO2)NC(=O)NCc1ccccc1 1780968957 RLBFICGFBAPCKT-CYFREDJKSA-N 486.573 -0.311 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)[C@H]3CC[C@H]4CCC(=O)N4C3)C2)C1 1781054366 LPWLCVRRCGWMDQ-LTMIRXACSA-N 455.320 -0.789 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)[C@H]3CC(c4ccccc4)=NN3)C2)C1 1782601074 TZCYMRWBOYEEPS-ZJSXRUAMSA-N 462.315 -0.424 50 20 JBGD CN(C)C(=O)c1cccc(C(=O)N2CC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)c1 1785283179 PAAORCPCVYQMEV-DEOSSOPVSA-N 465.315 -0.175 50 20 JBGD CN(CC(=O)NC1(c2ccc(NC(=O)c3cccc(B(O)O)c3)cc2)CCC1)C(=O)C(=O)O 1788150560 XQIGKYBXWONGHK-UHFFFAOYSA-N 453.260 -0.343 50 20 JBGD Cc1cc(C)n(CCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)n1 1791507229 PLXCCTBLLAFHFF-JBACZVJFSA-N 454.336 -0.137 50 20 JBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CCc2nc(O)nc(O)c2C1)c1cccc(B(O)O)c1 1794384604 JWDRFMKXCVTJCB-MXASKKJJSA-N 466.303 -0.376 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]c3cccc(F)c13)C2)c1ccc(B(O)O)cc1 1795735751 DBWWWEOKGYZYLB-HBCWATKFSA-N 452.251 -0.101 50 20 JBGD CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795737817 WHTLEMJQJNXCLX-UKBAYJJMSA-N 473.335 -0.421 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncn(-c3ccccc3)n1)C2)c1cccc(B(O)O)c1 1795739121 WPQPIDBSOLZJAK-XEMDLRDOSA-N 461.287 -0.536 50 20 JBGD CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795741087 IXNRTUGCFZYRHL-NBMJBFSESA-N 475.351 -0.127 50 20 JBGD COC(=O)c1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)c(C)c1 1801910540 WEOJSAHWNPXCOU-RMFSNUHRSA-N 466.299 -0.022 50 20 JBGD O=C(CCN1CCOCC1)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1806950421 HDIRTZJROPDSQF-OFNKIYASSA-N 466.347 -0.197 50 20 JBGD CN(CC(=O)NC[C@H]1CCN(C(=O)[C@@H](N)CN)[C@H]1c1cccnc1)NC(=O)NCc1ccccc1 1807453578 PKRCYHUVPVNUAG-URVUXULASA-N 482.589 -0.280 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1CCN(C(=O)CN(C)C(=O)C(=O)O)[C@H]1c1cccnc1 1808416439 NOXXAJBAMDSCKP-YRJCQSRDSA-N 497.512 -0.236 50 20 JBGD O=C(N[C@@H]1CCc2nc(NC(=O)c3nc[nH]c3[N+](=O)[O-])sc2C1)c1cccc(B(O)O)c1 1817200141 PNQMMDGCWWAHHV-LLVKDONJSA-N 456.249 -0.006 50 20 JBGD C[C@@H](NNc1ccccc1)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1829807103 IFWGTJDUPGUJIB-HOYKHHGWSA-N 482.346 -0.558 50 20 JBGD Cc1cn(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)c(=O)nc1O 1832773662 NATHOEKAJIRWDQ-HXUWFJFHSA-N 482.346 -0.129 50 20 JBGD CC(=O)N1CCN(CC(=O)N2CCOC[C@@]3(CN(C(=O)CCBr)CCO3)C2)CC1 1834821277 DVSCHUKANIDDSK-LJQANCHMSA-N 475.384 -0.608 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1)c1ccc2ncnn2c1 1835630763 FBNQJJZEPURPDX-UHFFFAOYSA-N 476.346 -0.092 50 20 JBGD COc1ncc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)cc1F 1835927296 NFCIJJDZIKPZHM-JOCHJYFZSA-N 473.266 -0.707 50 20 JBGD COc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)s1 1835927688 WSMTWINXFPBYPI-OAQYLSRUSA-N 460.317 -0.180 50 20 JBGD COc1cscc1C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835937455 XOGUMBXKNUOBAK-NRFANRHFSA-N 460.317 -0.180 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)c1cn3ccsc3n1)CCO2 1837047915 BRNHODJNERFEDB-NRFANRHFSA-N 470.316 -0.541 50 20 JBGD COc1cncc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)c1 1837456403 HKQBAYJVPSGYOK-XMMPIXPASA-N 498.540 -0.209 50 20 JBGD CN[C@H](CC(=O)N1CCC(OC2CCN(C(=O)c3cnccc3C(=O)NN)CC2)CC1)C(=O)O 1837884329 BAZNMOAYHADSQC-GOSISDBHSA-N 476.534 -0.640 50 20 JBGD C[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(=O)nc4cccnn34)CCO2)C1 1838503237 JPLTUJWCWYDCIF-YJYMSZOUSA-N 480.319 -0.057 50 20 JBGD CN(CC(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(N)=O)C2)C1)NC(=O)NCc1ccccc1 1839054442 ZLBRLUOGHLLVNZ-HSZRJFAPSA-N 490.561 -0.946 50 20 JBGD CC(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C2)C1 1839877734 HTWNMSRYRHNDTF-YCGBLELFSA-N 462.507 -0.899 50 20 JBGD CC[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@H]3NC(=O)NC3=O)C2)C1 1839962860 TXMVCIJTXIJYCQ-XWCIJXRUSA-N 461.313 -0.786 50 20 JBGD COC(=O)[C@@H]1CCC[C@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)C1 1840145637 MLCVXSXSENLKHL-XLNZFTOWSA-N 488.346 -0.584 50 20 JBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)C2)C1 1840154687 CQPPDXYUGYMZKY-CKJXQJPGSA-N 493.985 -0.028 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)C(F)(F)C(F)(F)C(=O)O)C2)C1 1840182240 AIVKHNAAYPZJDJ-INIZCTEOSA-N 486.419 -0.829 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CCCC12CN(C(=O)C[C@@H]1NC(=O)NC1=O)C2 1841924179 DTDLFGVRWLACJJ-RYUDHWBXSA-N 457.915 -0.080 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)[C@@H]2CCc3nc(O)nc(O)c3C2)C1 1842057698 URCBOFPQJPJAHX-CQSZACIVSA-N 452.276 -0.810 50 20 JBGD Cc1cn2c(=O)c(C(=O)N3CC4(CCCN4C(=O)c4cccc(B(O)O)c4)C3)cnc2s1 1843014026 PBSFQMAHKYZXMR-UHFFFAOYSA-N 452.301 -0.125 50 20 JBGD CCCn1nc(C(=O)NNC(=O)CNS(=O)(=O)c2cn(C)c(C)n2)c2ccccc2c1=O 116494943 CYEYBWPWIFSSNU-UHFFFAOYSA-N 461.504 -0.412 50 20 JBGD COc1ccc(Br)c(C(=O)NNC(=O)NCCN2CCN(S(C)(=O)=O)CC2)c1 728748731 ZDNKWVYKXSFSBR-UHFFFAOYSA-N 478.369 -0.021 50 20 JBGD COCCN1C(=O)c2ccc(C(=O)NNC(=O)C3CCN(c4ncccn4)CC3)cc2S1(=O)=O 728847935 FQXSZFBSDJHHHR-UHFFFAOYSA-N 488.526 -0.055 50 20 JBGD CN(CC(=O)N1CC[C@@]2(C1)CN(C(=O)CN1CCCC1=O)CCO2)NC(=O)NCc1ccccc1 1780969448 HEACSZYWDDHUQI-XMMPIXPASA-N 486.573 -0.215 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)c3nc4ccc(F)cn4n3)C2)C1 1782568584 UWKLEVGYWOPIOW-OAQYLSRUSA-N 453.239 -0.695 50 20 JBGD Cn1ncc(Br)c1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786983378 QDQWJDQBPGSNDM-QRTARXTBSA-N 491.151 -0.231 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cncc(S(C)(=O)=O)c3)C[C@@H]21 1791288574 GHCVSQJSHSYDBB-WBAXXEDZSA-N 481.575 -0.549 50 20 JBGD C[C@H](Oc1cccnc1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1791651223 HCRCAFOUBULBFO-OQRYQMPQSA-N 453.304 -0.178 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)[C@@H]1CC(=O)N(Cc2ccccc2)C1 1793206608 UZVOEUXBUCLAGD-IUBSTNSRSA-N 491.353 -0.382 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1ON=C(c3ccccc3)O1)C2)c1ccc(B(O)O)cc1 1795734114 DEJLCGZGPXSVLW-PDPLOHQNSA-N 465.271 -0.696 50 20 JBGD C[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnccc1C(=O)NN)C2)[C@@H]1SC(=N)NC1=O 1796880905 MYUVTYXRHFUGJW-HJHSNUOESA-N 459.532 -0.261 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nccnc1C(N)=O 1798354697 VKMGJPLGKNFELM-CRWXNKLISA-N 496.952 -0.089 50 20 JBGD C[C@@H](CC(N)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN(C)NC(=O)NCc1ccccc1 1799094828 AQLXVLZYWNMJLR-JWVYWZTKSA-N 474.562 -0.566 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)CN2CCS(=O)(=O)CC2)[C@H]1c1cccnc1 1804195639 GERRDCIEPMXOLB-XMSQKQJNSA-N 494.618 -0.809 50 20 JBGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1cccc(=O)n1O)CC2)c1cccc(B(O)O)c1 1815355659 YCUBCYVQMFKLKY-CYBMUJFWSA-N 454.273 -0.239 50 20 JBGD O=C(c1cc(=O)n2[nH]nnc2n1)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827052845 JKSQXYMXVBKRDM-SFHVURJKSA-N 479.306 -0.961 50 20 JBGD CS(=O)(=O)c1cccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)c1 1830719916 OYEMSAWWNMLAHK-APWZRJJASA-N 460.936 -0.240 50 20 JBGD Cc1n[nH]c(C)c1CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835931673 WYMAGVRVYALVCO-JOCHJYFZSA-N 456.308 -0.981 50 20 JBGD CCOc1cccc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)c1O 1835932091 NKGJATWTYLUIRR-XMMPIXPASA-N 484.314 -0.146 50 20 JBGD CC1CCN(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)CC1 1835934282 SNMWYYTUWFNPRM-QHCPKHFHSA-N 459.352 -0.832 50 20 JBGD CN1CCN(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@](C)(Cl)CCl)C3)C2)CC1 1836675974 PGHSBKONQRQLCM-MOPGFXCFSA-N 451.395 -0.074 50 20 JBGD CC(=O)N1CCN(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CO[Si](C)(C)C)C3)C2)CC1 1836767026 BOIDWLIICZUNLD-NRFANRHFSA-N 470.643 -0.542 50 20 JBGD NC(=O)c1nccnc1C(=O)N1CCO[C@]2(COCCN(C(=O)CCBr)C2)C1 1838325542 QUBIRCWSTGUIOY-KRWDZBQOSA-N 456.297 -0.570 50 20 JBGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(=O)nc4cccnn34)CCO2)C1 1838503522 YKLOWLQQRAONLR-VLIAUNLRSA-N 465.894 -0.587 50 20 JBGD Cc1cc2nnc(C(=O)N3CCOC[C@@]4(CN(C(=O)CCC(=O)NN(C)C)CCO4)C3)c(C)n2n1 1840184249 FPCRWGJHXHZCEP-JOCHJYFZSA-N 488.549 -0.816 50 20 JBGD O=C(OCCO)c1ccccc1C(=O)N1CCCC12CN(C(=O)c1cccc(B(O)O)c1)C2 1844718802 SITWQZZRFXPWFP-UHFFFAOYSA-N 452.272 -0.354 50 20 JBGD N#Cc1ccc(OCC(=O)NNC(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)cc1 726710878 WQHOOXRGFJCVQX-UHFFFAOYSA-N 452.475 -0.204 50 20 JBGD Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)C1 729299328 OXJFPFHUAITCNI-OAHLLOKOSA-N 473.519 -0.136 50 20 JBGD CCS(=O)(=O)NCCNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 916516894 STUDBQXSDNMZBO-UHFFFAOYSA-N 461.566 -0.256 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)O)CCO2 1783939361 DLAKRJGDBNCWNE-WZONZLPQSA-N 499.609 -0.147 50 20 JBGD CC(C)c1nc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)no1 1786983746 YULJNKINJSNYJE-SZMVWBNQSA-N 456.308 -0.291 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=O)c3cccnc3)C[C@@H]21 1788611696 RPUFWCFDMXXMDE-SNRMKQJTSA-N 481.513 -0.897 50 20 JBGD COC[C@@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)NC(=O)c3cnccn3)[C@H]2C1 1788706155 PQXRSIIGGFXUNN-JGFGOLAASA-N 453.927 -0.172 50 20 JBGD Cc1ccc(C(=O)NCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)cc1 1792251645 AZISMBUFPXYGQC-BVSLBCMMSA-N 479.342 -0.302 50 20 JBGD CC(C)(C)OC(=O)N1CCC(O)(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](O)CCl)C3)CC1 1793665005 FRBLJUUHENQMQQ-FZKCQIBNSA-N 475.970 -0.062 50 20 JBGD COC(=O)c1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)c([N+](=O)[O-])c1 1795735854 GSFKDWFJOFCSRH-CWPLJXCYSA-N 497.269 -0.422 50 20 JBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncn(-c3cccc(F)c3)n1)C2 1797749558 DNCLMFSSNQDWOE-HBCWATKFSA-N 494.487 -0.078 50 20 JBGD Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)nc2nccn12 1797753944 LOQDQTBFECDKAF-ZSBFGKGUSA-N 464.486 -0.447 50 20 JBGD CC(C)(C)OC(=O)N1CCN(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](O)CCl)C3)CC1 1801964551 FAYPLFOSUDDSHM-KYHPRHEASA-N 474.986 -0.272 50 20 JBGD O=C(NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1)c1nc2ncccn2n1 1809231542 MZLBATRNQDYHSV-IEBWSBKVSA-N 471.286 -0.168 50 20 JBGD N=C(N)NCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCN2C(=O)OCc1ccccc1 1828551268 LROQSQCCBXEGQO-HRAATJIYSA-N 480.953 -0.479 50 20 JBGD Cc1ccc(C(=O)NCC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)cc1 1830738384 OPRMJQXTYKPWJO-UWJYYQICSA-N 453.923 -0.219 50 20 JBGD CC(C)(C)OC(=O)N[C@H](CCO)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1830881827 KWYNCTRGABSLEH-SXGZJXTBSA-N 479.958 -0.682 50 20 JBGD O=C(CS(=O)(=O)N1CCCC1)NC1CCN(C2CCN(C(=O)[C@@H](O)CCl)CC2)CC1 1835116888 LFBXNLNUESCQCS-KRWDZBQOSA-N 465.016 -0.417 50 20 JBGD CO[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1)c1ccccc1 1835280831 LZWGTPIEEGSDFF-XUZZJYLKSA-N 468.315 -0.176 50 20 JBGD COC(=O)Nc1cccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)c1 1835931691 XKCNSTLCHUDQPJ-XMMPIXPASA-N 497.313 -0.072 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc4[nH]ncc4c3)CCO2)C1 1836811317 MMDWBQUTLZMFKA-QFIPXVFZSA-N 480.485 -0.660 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc3n(n1)CCCC3)CCO2 1836977839 YDONJGHQXPBFSB-HSZRJFAPSA-N 468.319 -0.717 50 20 JBGD C[C@H](NC(=O)c1cnccn1)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1837608847 KFOCELFDFVRQGI-XAYKYTGQSA-N 488.314 -0.258 50 20 JBGD CC(C)c1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)n[nH]1 1838695422 WPZFNLFUYHJLNM-QFIPXVFZSA-N 456.308 -0.403 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1Cc3ccccc3N1)CCO2 1839736987 UEHULJFVZWCNSX-CVDCTZTESA-N 459.547 -0.147 50 20 JBGD O=C1CC[C@@H](C(=O)N2CSC[C@@H]2C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](F)Cl)C3)C2)N1 1839744377 JDBBSMJDPVJAHN-QRDCCXFBSA-N 492.957 -0.843 50 20 JBGD CN(CC(=O)N1CCOC[C@]2(CN(C(=O)CCC(N)=O)CCO2)C1)NC(=O)NCc1ccccc1 1839864743 MJVNAMHYFAZPLC-QHCPKHFHSA-N 490.561 -0.946 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cc(Cl)cn3)C2)C1 1840183889 GZIJAEASJNXHKV-LJQANCHMSA-N 456.931 -0.634 50 20 JBGD O=C(NNS(=O)(=O)c1ccc(N2CCCS2(=O)=O)cc1)c1ccc(-n2cnnn2)cc1 726764722 MSAWWBKADYJNDM-UHFFFAOYSA-N 463.501 -0.175 50 20 JBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)CNC(=O)c1ccccc1I 729275504 OUQQHEGQWANAAK-MRVPVSSYSA-N 468.273 -0.894 50 20 JBGD Cc1nc[nH]c1CSCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1778911008 IKKFICGHWXREEW-OAQYLSRUSA-N 458.349 -0.225 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)c3ccc(O)c([N+](=O)[O-])c3)C2)C1 1781538732 AAEPHZNYABSXRK-NRFANRHFSA-N 455.232 -0.263 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)c3cc4cccnc4nc3O)C2)C1 1782264226 JSYHDELVUHRUNO-HSZRJFAPSA-N 462.271 -0.228 50 20 JBGD CN(C)C(=O)c1cccc(C(=O)N2CC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)c1 1785283245 QTLJXRGMZSABNW-DEOSSOPVSA-N 465.315 -0.175 50 20 JBGD C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1785574514 LTLHVRYEBPWBFK-DVECYGJZSA-N 485.346 -0.274 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3Cc4ccccc4CN3)C[C@@H]21)c1cccc(B(O)O)c1 1786983348 OKJVMIZECYHMCV-SNJCGAMXSA-N 463.343 -0.326 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc3ccc(F)cn3n1)C2)c1ccc(B(O)O)cc1 1795736292 WRQMMTXATOPLMA-ZSBFGKGUSA-N 453.239 -0.935 50 20 JBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCNC(=O)c1ccccc1 1801954012 CFKFEQUZZQVPNL-OPMZPASUSA-N 459.547 -0.231 50 20 JBGD CC(C)(C)OC(=O)NC1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)CC1 1802221240 FQIJQZBRIQJJGZ-ALXJQNPVSA-N 473.335 -0.373 50 20 JBGD CCS(=O)(=O)CC(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807364440 ILFXXSHKJREPIT-PXNSSMCTSA-N 459.333 -0.484 50 20 JBGD C[C@H](C(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1)N1CCN(C)CC1 1807372542 GAYLLUSJYSIJJY-JMUQELJHSA-N 479.390 -0.283 50 20 JBGD COC(=O)NCC(=O)N1CC[C@@H](CNC(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1810305913 QGDREKAOXBXBQT-KBXCAEBGSA-N 455.475 -0.244 50 20 JBGD O=C(N[C@H]1CCc2nc(NC(=O)c3cc4n(n3)CCCNC4=O)sc2C1)c1ccc(B(O)O)cc1 1818913268 IKLXHEJYXMYAAP-AWEZNQCLSA-N 494.342 -0.308 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)CC1 1828923407 IZVXCRZDZAEYRP-DLBZAZTESA-N 471.518 -0.484 50 20 JBGD C[C@@H](O)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1829326761 SQQBVZJGOIIUIF-CJAUYULYSA-N 495.341 -0.187 50 20 JBGD CCS(=O)(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)CBr)CCO2)C1 1830534944 FKRRUMUFEASDOH-CKEIUWERSA-N 484.413 -0.198 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(O)n3)CCO2)C1 1834193265 XWNLQPXUUOZAKE-NRFANRHFSA-N 456.459 -0.831 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccn(C)n1)CCO2 1834245725 VUSWGSRQLJMOCK-CPOKCXMASA-N 457.491 -0.376 50 20 JBGD N[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1)c1cccc(Cl)c1 1835731037 RNFHNDOWXFJONK-NFBKMPQASA-N 487.749 -0.210 50 20 JBGD COc1ccc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)cn1 1835933990 JNKLMGLHQIQASD-DEOSSOPVSA-N 483.330 -0.527 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCc4ccccc4[C@@H]3O)C2)C1 1835934039 KWQHHPBYXMASSG-MVERNJQCSA-N 494.353 -0.268 50 20 JBGD COc1ncccc1CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnccc1C(=O)NN)CCO2 1837457022 SPCWRNKYCJYQIF-XMMPIXPASA-N 498.540 -0.209 50 20 JBGD C[C@@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)CN(C)NC(=O)NCc3ccccc3)CCO2)C1 1839054103 GYZNWUXWMLKDPB-VGSWGCGISA-N 463.535 -0.830 50 20 JBGD COc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)c(O)c1OC 1839378035 QBTAYVZOHARCQO-QHCPKHFHSA-N 494.545 -0.148 50 20 JBGD CCNC(=S)NCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)Br)C2)C1 1839655534 DPCULHFROCMBHM-BLLLJJGKSA-N 451.387 -0.290 50 20 JBGD C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840185431 QNEYFAMRHCNTBC-OAQYLSRUSA-N 454.524 -0.675 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(CN(C(=O)CCn3cncn3)CCO2)C1 1840357708 JPTLTJSCEPRTJL-HUXSYLCKSA-N 472.506 -0.741 50 20 JBGD C[C@@H](NC(=O)c1ccccc1)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1840901688 QLKQVMVXGUOVDS-IQGLISFBSA-N 495.341 -0.745 50 20 JBGD CC(C)(C)NC(=S)NNC(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c1ccc2c(c1)OCCO2 769227947 PWIZIDOPQNIDQH-GFCCVEGCSA-N 473.577 -0.336 50 20 JBGD CCS(=O)(=O)N[C@@H](CCSC)C(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 818819397 WYRILJRYHOTMTJ-AWEZNQCLSA-N 466.607 -0.241 50 20 JBGD COc1cc2c(cc1OC)[C@@H](CC(=O)NNC(=O)[C@@H]1COCCO1)N(S(C)(=O)=O)CC2 915064888 VBAQWZCMAZHBAA-PBHICJAKSA-N 457.505 -0.485 50 20 JBGD COc1cc(C=NNC(=O)N[C@@H]2CCS(=O)(=O)C2)ccc1OCC(=O)N1CCOCC1 920379936 CPLUFVZIBZQGHT-OAHLLOKOSA-N 454.505 -0.247 50 20 JBGD CC(C)(C)OC(=O)N1CC(C(=O)N2CC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)C1 1778125518 WRHQEGWIGHKKPD-QHCPKHFHSA-N 473.335 -0.323 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)c3cnc4c(c3)CCNCC4)C2)C1 1782729762 LOSXLGPBGDLSTF-DEOSSOPVSA-N 479.541 -0.474 50 20 JBGD C[C@H](NC(=O)c1ccccc1)C(=O)N1CC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1785558231 WZBSGMWXCCWWPF-XDHUDOTRSA-N 465.315 -0.372 50 20 JBGD CN(CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(N)=O)[C@H]2C1)NC(=O)NCc1ccccc1 1790853321 SEJUAWNXECLBQT-FHWLQOOXSA-N 474.562 -0.422 50 20 JBGD CC(=O)Nc1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)n1 1795737349 UPBNRQVRDCTQML-CWPLJXCYSA-N 452.276 -0.763 50 20 JBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(Cl)cnc1O)C2 1797748366 SNUIWWITOCFOBA-CULMDFNYSA-N 460.878 -0.044 50 20 JBGD COc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C(C)=N/NC(=O)c2ccc[nH]2)C3)nn1C 1798757869 VLKDLIXAHVMKHZ-GBQKICQVSA-N 457.491 -0.234 50 20 JBGD C/C(=C/C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN(C)NC(=O)NCc1ccccc1)C2)C(=O)O 1802016735 DUOIRCYQNXTWMN-YFGZCDDESA-N 473.530 -0.047 50 20 JBGD COC[C@H](NC(C)=O)C(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807373367 ACUZGWGSSSTEFB-JBACZVJFSA-N 468.319 -0.768 50 20 JBGD O=C(NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1)c1nc2ncccn2n1 1809231546 MZLBATRNQDYHSV-MJGOQNOKSA-N 471.286 -0.168 50 20 JBGD Cn1ccc2c(O)ncc(C(=O)N3CCOC[C@]4(C3)CN(C(=O)[C@H](O)CCl)CCO4)c21 1830732139 SELAGJCHJFGTGB-QRWLVFNGSA-N 452.895 -0.051 50 20 JBGD C[C@H](NC(=O)c1cnccn1)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](O)CCl)CC2)CC1 1833312330 LCDBAWAZNLFGIR-KSSFIOAISA-N 466.970 -0.234 50 20 JBGD C[C@H](C(=O)NC1CCN(C2CCN(C(=O)[C@@H](O)CCl)CC2)CC1)[C@@H]1SC(=N)NC1=O 1835109959 KZDNKSLVJKRURL-CQDKDKBSSA-N 460.000 -0.040 50 20 JBGD COc1cc(C(=O)N2CCC(N3CCC(NC(=O)c4cnccc4C(=O)NN)CC3)CC2)nn1C 1835737914 MKRWHZHADBJJKL-UHFFFAOYSA-N 484.561 -0.074 50 20 JBGD COc1ccc([C@H](O)C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)cc1 1835926479 ORXKGMCMEYOZQY-URXFXBBRSA-N 484.314 -0.821 50 20 JBGD CC(C)(C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1)c1ccccn1 1835934146 MRXCJXLETIWZJK-DEOSSOPVSA-N 467.331 -0.191 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)c3ncc(Cl)cn3)C2)C1 1835935299 NMERHJZAYAYBGV-FQEVSTJZSA-N 460.683 -0.806 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccn3cncc3c1)CCO2 1837081348 AGDRHTWHFVZEBI-JOCHJYFZSA-N 458.519 -0.223 50 20 JBGD C[C@@H](C(=O)N1CCC(OC2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1)n1cnnn1 1837922055 GKKFCHAIPJOBTE-HNNXBMFYSA-N 456.312 -0.774 50 20 JBGD O=C([C@@H]1CCCS1(=O)=O)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1839784735 TZDXWPMKNDCCCE-SLEUVZQESA-N 457.318 -0.290 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCc3ccccc3O1)CCO2 1840136941 PIPDWNRFTSVJRT-RCZVLFRGSA-N 480.326 -0.170 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4nncn4c3)C2)C1 1840184558 VEPOESKVMWMKSV-OAQYLSRUSA-N 459.507 -0.828 50 20 JBGD CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1840371647 VHAMUJLEDQFSEO-RKVPGOIHSA-N 490.330 -0.396 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(C(N)=O)cc1)CCO2 1840648308 HCIMYLAMWBBTNE-QFIPXVFZSA-N 461.519 -0.772 50 20 JBGD COc1cc(F)ccc1CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1840933792 JRDLAHUGISEAMN-DEOSSOPVSA-N 486.305 -0.173 50 20 JBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)CCn1cnc2ccc(Br)cc2c1=O 729275516 OYYKZPDIEYXFKE-SECBINFHSA-N 460.310 -0.366 50 20 JBGD O=C(NNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1cccs1)N[C@@H]1CCS(=O)(=O)C1 919884142 DYDLMGGLBCEHSQ-NEPJUHHUSA-N 450.564 -0.191 50 20 JBGD CSCC[C@H](NS(=O)(=O)c1ccccc1F)C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 919884511 HAJBFKJWIUFSPC-AAEUAGOBSA-N 482.581 -0.257 50 20 JBGD O=C(CCCNS(=O)(=O)c1ccc2c(c1)OCCCO2)NNC(=O)N[C@H]1CCS(=O)(=O)C1 919886357 VUELRNLGOAWPGM-ZDUSSCGKSA-N 490.560 -0.576 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(C1)CN(C(=O)c1cccc3c1NC(=O)C3)CCO2 1779036944 KECPQDAUIUCJNU-QHCPKHFHSA-N 464.482 -0.063 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc(O)cn3)C[C@@H]21 1788610996 HZUYMJDETHKIEA-AGRHKRQWSA-N 454.487 -0.378 50 20 JBGD C[C@@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3n(n1)CCNC3=O)C2 1792870171 JYZJKDOOHCTGML-OHTBPHCPSA-N 454.325 -0.139 50 20 JBGD C[S@@](=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)CCl 1792975584 VYKDBZABALZARO-LUPATUDMSA-N 496.026 -0.162 50 20 JBGD CC(C)(C)OC(=O)N1CCOC[C@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)CCl 1792978271 NMIGWRLJCYLRGD-NPJQDHAYSA-N 461.943 -0.188 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)[C@@H]1SC(=N)NC1=O)C2 1796440453 MHJMZAJTVQXKEX-PZQYHPIRSA-N 489.558 -0.488 50 20 JBGD O=C(CCN1Cc2ccccc2C1=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1797184315 UOVDMFITYHGEGJ-BBIADKPPSA-N 477.326 -0.384 50 20 JBGD Cc1nccn1CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797754074 KYLJMSODOMXKEU-CWPLJXCYSA-N 455.519 -0.126 50 20 JBGD CC(=O)OC[C@@H](OC(C)=O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnccc1C(=O)NN)C2 1798471289 IPTNUALSGWLTJQ-BASYENTBSA-N 461.475 -0.568 50 20 JBGD CCOC(=O)N[C@H](O)C(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1810097751 MFAFTUGUJKSXPW-YVWKXTFCSA-N 470.291 -0.855 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)CCN2C(=O)C=CC2=O)[C@@H]1c1cccnc1 1813068083 IHCGSUJYAYIKJV-UZUQRXQVSA-N 470.530 -0.225 50 20 JBGD Cc1ccc(S(=O)(=O)CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)cc1 1830724260 XBQJAHFMIFLAIM-XLIONFOSSA-N 474.963 -0.175 50 20 JBGD 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452.320 -0.587 50 20 JBGD COC[C@H](NC(C)=O)C(=O)N1CC[C@@H](CNC(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1810302338 IITJUEUIDBNHJS-VDGAXYAQSA-N 483.529 -0.449 50 20 JBGD CCNC(=S)NCC(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1812331393 UZNXNTPVRFPHPA-YLJYHZDGSA-N 469.376 -0.435 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)[C@H]1c1cccnc1 1813069815 CMRHDLHQYUWYRR-DOXZYTNZSA-N 459.507 -0.942 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCc3ccccc3[C@@H]1O)CCO2 1830821332 DMESHMJCYIBOQW-UMFSSWHCSA-N 494.353 -0.268 50 20 JBGD Cc1cc(CC(=O)N2CCC(N3CCC(NC(=O)c4ccc(B(O)O)cc4)CC3)CC2)nn1C 1834797741 AUPLBGNMCJMVQJ-UHFFFAOYSA-N 467.379 -0.164 50 20 JBGD NC(=O)c1ccc(C(=O)N2CCC(N3CCC(NC(=O)c4cccc(B(O)O)c4)CC3)CC2)cc1 1834801390 FFNYOVNEEXXGCS-UHFFFAOYSA-N 478.358 -0.036 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1)c1nc2ncccn2n1 1835350343 WPWZRBIUQPHYMU-UHFFFAOYSA-N 477.334 -0.697 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C[C@@H](N)c1cccnc1)CCO2 1835836735 UYIKUENLTMZIAG-GCJKJVERSA-N 462.551 -0.699 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CC(c4ccccc4)=NN3)C2)C1 1835931802 DBWHZKJJSKPZEF-DHLKQENFSA-N 492.341 -0.797 50 20 JBGD O=C(Cn1cc([N+](=O)[O-])cn1)N1CCC(OC2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1837136662 XWVYBFMIXBURRD-UHFFFAOYSA-N 485.306 -0.217 50 20 JBGD C[C@H](Nc1nccs1)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837457678 MWRBKNYSFZXTMY-QKKBWIMNSA-N 489.558 -0.288 50 20 JBGD CN(CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1)NC(=O)NCc1ccccc1 1839054331 UOLKQBQXSKQPNF-GCJKJVERSA-N 497.980 -0.611 50 20 JBGD C[C@H](Oc1ccccc1)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1839950428 MBWVZIFVNWKSMA-MHECFPHRSA-N 468.315 -0.096 50 20 JBGD Cc1cn(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)Br)CCO3)c(=O)nc1O 1840036097 FGAZPCGLLBJWDE-ACJLOTCBSA-N 473.324 -0.503 50 20 JBGD COc1cc2c(cc1OC)[C@H](CC(=O)NNC(=O)CCN1C(=O)CCC1=O)N(S(C)(=O)=O)CC2 726102485 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C[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1800744483 ZDQHNBSSPKJGKL-ALOBAPJISA-N 495.341 -0.116 50 20 JBGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1cc(=O)n3[nH]cnc3n1)CC2)c1cccc(B(O)O)c1 1815354523 GKFWBRGCBXVTMH-GFCCVEGCSA-N 479.287 -0.907 50 20 JBGD COC[C@H](NC(C)=O)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cnccc1C(=O)NN)CC2 1820193470 XGADDYNBFOOQKA-ABAIWWIYSA-N 475.531 -0.482 50 20 JBGD CN[C@H](CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cnccc2C(=O)NN)CC1)C(=O)O 1826944784 CQZUNVGQPXKRJG-QZTJIDSGSA-N 460.535 -0.019 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(=O)n3[nH]nnc3n2)CC1 1827401598 LPKNODNMFQLRPO-QGZVFWFLSA-N 494.516 -0.642 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)CCNC(=O)c3ccc[nH]3)CC2)CC1)c1ccc(B(O)O)cc1 1834797541 WMNPNTHXCMZPDQ-UHFFFAOYSA-N 495.389 -0.300 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3Cc4ccccc4CN3)C2)C1 1835928331 KXMIJHOUAXYDGI-DHLKQENFSA-N 479.342 -0.849 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)c3cccc4nc[nH]c34)C2)C1 1835928428 PGWUQFBTJMXOGK-QHCPKHFHSA-N 464.287 -0.374 50 20 JBGD Cc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)c(C)n1 1835931231 IUGMMSRENUFHFA-QHCPKHFHSA-N 453.304 -0.238 50 20 JBGD CCc1ncsc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835931737 ZNZOACFGABDYQI-OAQYLSRUSA-N 459.333 -0.231 50 20 JBGD COc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)ccc1[N+](=O)[O-] 1835934133 LYZPOULAQDVBDS-QHCPKHFHSA-N 499.285 -0.333 50 20 JBGD O=C1Nc2ccccc2/C1=C/C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835938122 MGSJYZLDHMTEEQ-RFAVJAEMSA-N 491.309 -0.528 50 20 JBGD CC(=O)Nc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)cc1O 1835939216 HUZAFMYQTPVKKZ-DEOSSOPVSA-N 497.313 -0.586 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccn4cncc4c3)CCO2)C1 1837078205 ASSMMTMWRQQUIC-HSZRJFAPSA-N 479.497 -0.283 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3Cc4ccccc4CN3)C2)C1 1837457811 RYLUEVVZEHBODG-PXDATVDWSA-N 494.552 -0.530 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3C[C@@]3(F)Cl)C2)C1 1837460533 HCGPMMAWXCKVBE-ZMYBRWDISA-N 455.874 -0.320 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc4c(c3)CCO4)C2)C1 1837461381 VIMMGZAKTOWWEJ-RUZDIDTESA-N 495.536 -0.067 50 20 JBGD O=C(c1cc(=O)nc2cccnn12)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839200103 DYYJKUKYQGDIDC-QAPCUYQASA-N 484.282 -0.150 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1c3c(nn1C)CCC3)CCO2 1839584460 RKIGJMRONHOIRQ-JOCHJYFZSA-N 462.551 -0.648 50 20 JBGD COc1ccccc1CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1839953753 DYLSTDUIBGEHJI-DEOSSOPVSA-N 468.315 -0.312 50 20 JBGD C[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4n(n3)CCCNC4=O)C2)C1 1840033751 PBSNRIJDJQLSEQ-BFUOFWGJSA-N 484.351 -0.130 50 20 JBGD COc1cc(C=NNC(=O)CSc2nnc(O)nc2O)ccc1OCC(=O)N1CCOCC1 730558837 SNOHJVRILUFRAG-UHFFFAOYSA-N 478.487 -0.229 50 20 JBGD CN[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](CCl)NC(=O)OC(C)(C)C)C(=O)O 1793881079 OAWSQLWSPJHCDZ-RGHULWKBSA-N 476.958 -0.229 50 20 JBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(-c3cccnc3)[nH]n1)C2 1797751685 OJTREQOMSMDVGG-YVWYUNDQSA-N 476.497 -0.013 50 20 JBGD O=C(NC[C@@H]1CCN(C(=O)c2cnncc2C(=O)O)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807375259 NOQXSVNKKFVCOP-OXJNMPFZSA-N 475.270 -0.117 50 20 JBGD C[C@H](C(=O)N[C@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1)[C@H]1SC(=N)NC1=O 1815340062 DAPFVXDRVJROEB-ONENECBXSA-N 487.372 -0.149 50 20 JBGD CS(=O)(=O)c1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)c1 1830178184 CQUXEVCCKXQWGP-APWZRJJASA-N 460.936 -0.240 50 20 JBGD C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1830300333 QVKPDVJZIDCNHH-QMHKHESXSA-N 491.350 -0.650 50 20 JBGD O=C(COC1CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1830373757 HQHDAUWZUCGIRA-HSZRJFAPSA-N 460.336 -0.214 50 20 JBGD CC(C)(C)OC(=O)NCCOCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1831133322 WGRPRXUKEDYFLG-HRAATJIYSA-N 493.985 -0.026 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCC(N2CCC(NC(=O)C3=NN(C)C(=O)CC3)CC2)CC1 1833691564 ZAIXWWVNBRQGQB-UHFFFAOYSA-N 463.583 -0.461 50 20 JBGD Cn1ccc(CC(=O)N2CCC(N3CCC(NC(=O)c4cccc(B(O)O)c4)CC3)CC2)n1 1834801083 NKXKLHXOGLKOJN-UHFFFAOYSA-N 453.352 -0.472 50 20 JBGD Cc1cc(C(=O)NCC(=O)N2CCOC[C@]3(CN(C(=O)CCBr)CCO3)C2)no1 1834823468 WIBCQINXAHZENN-SFHVURJKSA-N 473.324 -0.046 50 20 JBGD COc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)s1 1835935058 DFAKMTDWOASWTK-OAQYLSRUSA-N 460.317 -0.180 50 20 JBGD O=C(CCc1ccccn1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835935249 KHYGUIDTPKGZJR-HSZRJFAPSA-N 453.304 -0.536 50 20 JBGD C[C@@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCN(C)CC3)CCO2)C1 1836666692 VMVWPGLBPXPVIR-LPHOPBHVSA-N 461.401 -0.279 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(O)nc3)C2)C1 1837459814 NFGMDAWCVAZGHZ-NRFANRHFSA-N 456.459 -0.831 50 20 JBGD CC(C)(C)n1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)nn1 1837460165 WRITZLSDIIHLTM-JOCHJYFZSA-N 486.533 -0.585 50 20 JBGD Cc1ccc(C(=O)C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)cc1 1837461083 MZQFDIFDYAGYLC-XMMPIXPASA-N 481.509 -0.054 50 20 JBGD C[C@@]1(C(=O)N2CCOC[C@]3(CN(C(=O)c4cnccc4C(=O)NN)CCO3)C2)CC1(F)F 1837461527 XVLJNSNVBXMAAS-OALUTQOASA-N 453.446 -0.200 50 20 JBGD C[C@@H](Nc1ccccn1)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1837746454 BFGMIOHRSOKNCC-VGSWGCGISA-N 462.551 -0.289 50 20 JBGD COc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C(C)=N/NC(=O)c4ccc[nH]4)C3)C2)nn1 1838349620 WMKRHFOYUKFLFQ-NMWDDECMSA-N 485.501 -0.311 50 20 JBGD CC(C)c1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)on1 1838773938 AUWQSMKXBPRLRZ-QFIPXVFZSA-N 457.292 -0.138 50 20 JBGD COc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)cc1 1838965716 DHDWEFGMRCQTCI-HSZRJFAPSA-N 454.288 -0.241 50 20 JBGD CC(C)N[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1)C(C)C 1840183892 HDFCQYHVJBXGOY-RBBKRZOGSA-N 455.600 -0.162 50 20 JBGD COc1cc(F)ccc1CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1840933969 WMIHCOQPVOAIGJ-XMMPIXPASA-N 486.305 -0.173 50 20 JBGD CC(C)(C)OC(=O)N[C@H](CCN)C(=O)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843013487 OVAGWDKHAFYPJF-QGZVFWFLSA-N 460.340 -0.575 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](Cc1ccc(B(O)O)cc1)C(=O)N1CC2(CCCN2C(=O)[C@@H]2C=CCN2)C1 1843332677 IOXUKKYKGBTXTN-PMACEKPBSA-N 498.389 -0.466 50 20 JBGD CCn1cnc2c1c(=O)n(CC(=O)NNC(=O)[C@@H](C)N1C(=O)CCC1=O)c(=O)n2Cc1ccccc1 727723910 GFNFFPTXRVIIOT-CQSZACIVSA-N 495.496 -0.887 50 20 JBGD O=C(CNC(=O)c1cccs1)NNS(=O)(=O)c1cccc(S(=O)(=O)NC2CC2)c1 751281068 YRUXGASIUAMDOU-UHFFFAOYSA-N 458.543 -0.072 50 20 JBGD COCCn1cnc2c1c(=O)n(CC(=O)N1CC[C@H](B(O)O)C1)c(=O)n2Cc1ccccc1 864233810 KLCSJOPWAKXUKX-INIZCTEOSA-N 455.280 -0.870 50 20 JBGD CCOC(=O)NCC(=O)NNC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1S(C)(=O)=O 920436461 MSQIAARMTCVXSM-CQSZACIVSA-N 472.520 -0.154 50 20 JBGD CC(=O)N/C(=C\c1ccco1)C(=O)N1CC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1781864000 FMFAIJQUIIBJQV-BXDIUNCMSA-N 467.287 -0.420 50 20 JBGD Cc1cc(C(=O)NCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]32)no1 1788673472 PWDWOXCQDAIRKY-ZOBUZTSGSA-N 464.523 -0.934 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(Cl)cnc1O 1792387810 LMMFZSMRTMBQET-CULMDFNYSA-N 460.878 -0.044 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@@H]1CNc3ccccc3O1)C2)c1cccc(B(O)O)c1 1795738794 GHXGRFUVQOZVMQ-PDPLOHQNSA-N 465.315 -0.167 50 20 JBGD CC(C)(C)OC(=O)NC[C@H](O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1 1796188009 TZWVLIJVLCFFSI-MHORFTMASA-N 461.324 -0.496 50 20 JBGD C[C@@H](Nc1nccs1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797750548 HBZOCFYHKAFKSS-NFFDBFGFSA-N 459.532 -0.155 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CC(c2ccccc2)=NN1 1800154910 OOLPEDVFTPIUTN-VAKZPMALSA-N 477.525 -0.346 50 20 JBGD O=C(CNC(=O)c1cccnc1)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1804367144 WIXHAZIEQOWDHY-WMZHIEFXSA-N 487.325 -0.094 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)c2cc3n(n2)CCNC3=O)[C@H]1c1cccnc1 1806084287 OBCHXYSYVRDPQV-IIBYNOLFSA-N 482.545 -0.286 50 20 JBGD CN1CCN(CCC(=O)NC[C@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)CC1 1806912204 QYULREQQYDXBQT-ZJSXRUAMSA-N 479.390 -0.282 50 20 JBGD CCS(=O)(=O)N[C@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815350367 SHAQYGUJWJXXGC-RISCZKNCSA-N 480.377 -0.624 50 20 JBGD CC(=O)OC[C@H](OC(C)=O)C(=O)N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815356869 UVDNYIYJDJLNSV-RDJZCZTQSA-N 489.315 -0.457 50 20 JBGD O=C1CN(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)C(=O)N1 1824967598 RFQDMMUWGWYENZ-SFHVURJKSA-N 456.308 -0.849 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cccc([N+](=O)[O-])c3)CCO2)C1 1829623125 CEZYHUVXCZLJHE-QHCPKHFHSA-N 498.496 -0.094 50 20 JBGD O=C([C@H](O)CCl)N1CCO[C@]2(COCCN(C(=O)[C@H]3CN(Cc4ccccc4)CCO3)C2)C1 1830731120 HYPPVHKZDVZFIQ-TXTKFYIRSA-N 481.977 -0.057 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCC(N2CCC(NC(=O)CNC(=O)c3cccnc3)CC2)CC1 1833772776 JWXLFHRVXMUYIU-UHFFFAOYSA-N 487.605 -0.244 50 20 JBGD Cn1c(=O)c2c(ncn2CC(=O)NC2CCN(C3CCN(C(=O)[C@H](F)Cl)CC3)CC2)n(C)c1=O 1833776613 HCGSFTHBLNWGIE-KRWDZBQOSA-N 497.959 -0.460 50 20 JBGD COc1nn(C)cc1C(=O)NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1834080338 KCKYPUUTXMJQOZ-UHFFFAOYSA-N 469.351 -0.393 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1nccn1C)CCO2 1834397820 PQHMRUFQICRNMK-SGSZHJQISA-N 457.491 -0.376 50 20 JBGD Cn1cncc1C(=O)N1CCC(N2CCC(NC(=O)c3cnccc3C(=O)NN)CC2)CC1 1835737225 XZDYGXPYEDYULQ-UHFFFAOYSA-N 454.535 -0.082 50 20 JBGD O=C(Cc1ccc2c(c1)OCO2)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835929266 HZMYIHCHFQNEDX-DEOSSOPVSA-N 482.298 -0.592 50 20 JBGD Cc1cccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)c1 1835929556 WBQAUAWPBDZRNW-DEOSSOPVSA-N 452.316 -0.012 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)c3[nH]nc4ncccc34)C2)C1 1835935394 DQBZXUFGTGQVPM-JOCHJYFZSA-N 465.275 -0.979 50 20 JBGD CCCC(=O)N[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837459468 QXAZJLVKOMSZJP-NYHFZMIOSA-N 476.534 -0.940 50 20 JBGD O=C1C[C@H](C(=O)N2CCC(OC3CCN(C(=O)c4cccc(B(O)O)c4)CC3)CC2)CCN1 1837921578 QCIKTDWBBTXMDZ-QGZVFWFLSA-N 457.336 -0.495 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(CN(C(=O)c3ccnc(Cl)n3)CCO2)C1 1837924304 UTJKHKAYOOIVLN-HXUWFJFHSA-N 475.893 -0.488 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(-c3cccnc3)[nH]n1)CCO2 1838031068 IRNQTNWFJNAIJD-HSZRJFAPSA-N 485.545 -0.085 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1c(O)cc(O)cc1O)CCO2 1839372753 MJXLVFQYBZPRPS-QFIPXVFZSA-N 487.469 -0.814 50 20 JBGD COC(=O)[C@@H]1CCC[C@H](C(=O)N2CCO[C@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)C1 1840148302 OYISRVMEKNKTLR-IXFSTUDKSA-N 482.578 -0.205 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc[nH]c4nccc3-4)C2)C1 1840183989 MWOHVZPMJTYULW-QFIPXVFZSA-N 458.519 -0.043 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)c1cc3n(n1)CCCNC3=O)C2 1844264289 CABBWQDGMXDSIA-UHFFFAOYSA-N 452.475 -0.854 50 20 JBGD CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NNC(=O)[C@H]1COc2ccccc2O1 21191628 JQTMSYKPRRPIDA-CRAIPNDOSA-N 497.551 -0.244 50 20 JBGD COCCNS(=O)(=O)c1ccc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc1 26069305 VQRXOELZUMHGQA-UHFFFAOYSA-N 484.556 -0.064 50 20 JBGD CC(=O)Nc1ccc(S(=O)(=O)N2CCC(=NNC(=O)[C@H](C)NS(C)(=O)=O)CC2)cc1 728435291 XFALDEFUEBBVOT-LBPRGKRZSA-N 459.550 -0.161 50 20 JBGD O=C1COc2ccc(C(=O)N3CC[C@]4(CN(C(=O)c5cccc(B(O)O)c5)CCO4)C3)cc2N1 1778573907 OFZDFWCILHTZPQ-HSZRJFAPSA-N 465.271 -0.545 50 20 JBGD C[C@H](CS(C)(=O)=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnccc2C(=O)NN)C1 1779371161 JXPIPJLHPLXRAY-SOIKWTOOSA-N 481.575 -0.507 50 20 JBGD CCNC(=S)NCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)C2 1781474464 ZHFNLBFHXXKUIY-FOIQADDNSA-N 456.613 -0.643 50 20 JBGD CN1CCN(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CCC(=O)NN(C)C)C2)CC1 1782214993 OGQMGQPMEDAEHZ-XMSQKQJNSA-N 452.600 -0.879 50 20 JBGD COc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)c(O)c1 1786981211 YTURVFPWAZMOOK-ZRCAFCQKSA-N 454.288 -0.012 50 20 JBGD COC(=O)[C@H]1CCC[C@@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)C1 1786984008 ZACAFKLRJNOBKQ-JOTVOLILSA-N 472.347 -0.061 50 20 JBGD COC(=O)c1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]32)cn1 1787607232 PSWRUPAPBFYJFE-BQFCYCMXSA-N 461.519 -0.166 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1cnc2c(c1)CCNCC2 1790618240 DEWFNQZJXLNZMC-HARLFGEKSA-N 478.358 -0.643 50 20 JBGD C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795741038 WDWDMIGXINLLKW-NYCLONFESA-N 461.324 -0.517 50 20 JBGD O=C(C[C@H]1CNc2ccccc2O1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1797676270 TUKOMGYYMYVJKG-ZQYRFBGISA-N 465.315 -0.167 50 20 JBGD Cn1ccc2c(O)ncc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)c3cnccc3C(=O)NN)c21 1797751916 ZHJPKAWCVOVNMD-IVWMJMPLSA-N 479.497 -0.206 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H](CNC(=O)[C@@H]2C[C@H](O)CN2)[C@H]1c1cccnc1 1807694678 DKQGDJNPOJGKBC-LVFSCSRESA-N 453.503 -0.878 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1CCN(C(=O)[C@@H]2CNC(=O)O2)[C@H]1c1cccnc1 1810294261 IZEZQSLNXMUQPK-JQFCIGGWSA-N 453.459 -0.492 50 20 JBGD COc1cncc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)c1 1832912600 KKNCDUHMYJRLDK-DEOSSOPVSA-N 483.330 -0.527 50 20 JBGD COc1cc(C(=O)N2CCC(N3CCC(NC(=O)c4ccc(B(O)O)cc4)CC3)CC2)nn1C 1834798367 MLILTRYXMKYYLE-UHFFFAOYSA-N 469.351 -0.393 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)c3ccc(CO)o3)CC2)CC1)c1ccc(B(O)O)cc1 1834798458 YLGJKRVSDABENT-UHFFFAOYSA-N 455.320 -0.049 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)[C@@H]3CC[C@H]4CCC(=O)N4C3)CC2)CC1)c1cccc(B(O)O)c1 1834801340 YVCBBHSQHZCJJE-XXBNENTESA-N 496.417 -0.047 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(C)(C)C)CCO2)C1 1835613168 JRRPDMHDUKTMEB-LWROZRRASA-N 462.551 -0.035 50 20 JBGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](CCN)NC(=O)OC(C)(C)C)CCO2 1835642532 QGRRTOMKLDBMSQ-WHSLLNHNSA-N 493.001 -0.061 50 20 JBGD O=C(CCOc1ccccc1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835929399 NYWFCXUHKSGELU-DEOSSOPVSA-N 468.315 -0.095 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc3cccnc3[nH]1)CCO2 1837005397 ADDAHPOARXFEBA-HSZRJFAPSA-N 464.287 -0.374 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(O)cn3)C2)C1 1837461148 PMHPHLWWXMTICW-JOCHJYFZSA-N 470.486 -0.902 50 20 JBGD O=C(O)c1cnncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1837949170 LWNMTNSTIOBAPX-WBMJQRKESA-N 461.244 -0.065 50 20 JBGD C[C@](Cl)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)N3CCOCC3)C2)C1 1839153923 VYIOIKDECJUSNO-JCGIZDLHSA-N 454.351 -0.670 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc3cccnn3c1)CCO2 1839560174 ASSIBSHASKBYET-HSZRJFAPSA-N 464.287 -0.602 50 20 JBGD C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)NNC(=O)[C@@H]3CCS(=O)(=O)C3)c2)C[C@@H](C)O1 15639689 RFKJJIJQIXMZKF-VNHYZAJKSA-N 459.546 -0.320 50 20 JBGD CCN1C(=O)c2ccc(C(=O)OCC(=O)NNC(=O)[C@@H]3COc4ccccc4O3)cc2S1(=O)=O 728332416 OOBBVFJECSWLCW-INIZCTEOSA-N 489.462 -0.005 50 20 JBGD CN(C)c1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)nc1 1779028178 GIZVZGBPJGQSMJ-JOCHJYFZSA-N 453.503 -0.097 50 20 JBGD CC[C@H](NC(N)=O)C(=O)N1CCO[C@@]2(CCN(C(=O)CN(C)NC(=O)NCc3ccccc3)C2)C1 1780968887 GLSYAJQOHAJMCY-FDDCHVKYSA-N 489.577 -0.391 50 20 JBGD C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1783708196 QKTIBVLDZIKAAT-QRQCRPRQSA-N 461.324 -0.277 50 20 JBGD CC(C)(C)OC(=O)N1CC[C@H]1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786980232 XZJYUWYPMDWBTP-LEAZDLGRSA-N 487.362 -0.031 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C3CCC4(CC3)OCCO4)C[C@@H]21)c1ccc(B(O)O)cc1 1786983684 QDJOUNNDXDGZIS-JBACZVJFSA-N 472.347 -0.107 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)n3ccnn3)C[C@@H]21 1787507929 YYGQFDJZBXDAGS-ZJEDPXCGSA-N 456.507 -0.047 50 20 JBGD CC(C)(C)OC(=O)N[C@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21 1790176417 ZSGQRHZXFKNXAL-BMYCAMMWSA-N 492.533 -0.879 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1 1796191104 ZNCQMDPQPCLHGK-MHORFTMASA-N 461.324 -0.496 50 20 JBGD Cc1nc2sccn2c1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1797544691 QJGWAROXPXHIJI-SCAQPMJSSA-N 454.317 -0.099 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H](CNC(=O)CCN2C(=O)C=CC2=O)[C@H]1c1cccnc1 1803917654 OJYPHZURWUMKTR-OPAMFIHVSA-N 491.508 -0.285 50 20 JBGD CN1C(=O)CC[C@H]1C(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807366878 PNENQYVOWKSURI-HFSMHLIXSA-N 450.304 -0.298 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827058198 QGPJACBOUVFJBV-NRFANRHFSA-N 479.346 -0.088 50 20 JBGD O=C(COc1ccccc1)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1834950761 BZIDUBBQQOKBLK-QHCPKHFHSA-N 454.288 -0.485 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCC(N2CCC(NC(=O)CCN3CCOC3=O)CC2)CC1 1835456440 LQXRMBBOKVBLQI-UHFFFAOYSA-N 466.583 -0.227 50 20 JBGD O=C(C1=NO[C@H](c2ccccc2)C1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835930589 OAHJJCOVVXLLQL-WIOPSUGQSA-N 493.325 -0.046 50 20 JBGD CC(=O)N/C(=C\c1ccco1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835932004 KHFZLPBAFSAPMK-NIQJEMAJSA-N 497.313 -0.793 50 20 JBGD O=C(COc1ccc(F)cc1)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835935532 JPNSZVULAIPWPM-QHCPKHFHSA-N 472.278 -0.346 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)c3cccn(C(F)F)c3=O)C2)C1 1835938519 XEIPKJMTEMTXSK-JOCHJYFZSA-N 491.256 -0.693 50 20 JBGD COc1cc(OC)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)c1 1835939055 CMODSBVFZXXWRX-DEOSSOPVSA-N 484.314 -0.233 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)c3c(F)ccc(O)c3F)C2)C1 1835939302 LSAWPHWCMRGLTO-JOCHJYFZSA-N 476.241 -0.266 50 20 JBGD C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1)n1cccc1C=O 1835955522 KLQCBKLCHFDBAA-MWTRTKDXSA-N 484.513 -0.370 50 20 JBGD O=C(c1n[nH]c2c1CS(=O)(=O)C2)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1 1836257834 OBINVFFZUNQBHP-BBRMVZONSA-N 450.876 -0.558 50 20 JBGD CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)CCBr)C2)C1 1837494793 ATEIBGJDGIWBKU-QAPCUYQASA-N 479.324 -0.277 50 20 JBGD C[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccc(O)nn3)C2)C1 1840035517 USJGORQWSRBWIC-SJKOYZFVSA-N 459.297 -0.199 50 20 JBGD C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1)N1C[C@H]2C[C@H]2C1 1840184370 IPKPTDMSHCEBPW-QSNWEANLSA-N 451.568 -0.844 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1C[C@@]1(F)Cl)CCO2 1840245918 CCGAPULGVURVIK-CCKFTAQKSA-N 455.874 -0.320 50 20 JBGD CCn1cnc2c1c(=O)n(CC(=O)NNC(=O)[C@@H]1CC(=O)N(C)C1)c(=O)n2Cc1ccccc1 914755782 XIXXJQJTTIZNCD-OAHLLOKOSA-N 467.486 -0.946 50 20 JBGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)[C@H]1CC(=O)N(C2CC2)C1 919652717 BOXLIOCQBBDDBU-INIZCTEOSA-N 464.544 -0.202 50 20 JBGD C[C@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2)N1CCN(C)CC1 1780639653 QBAVLZZLIIRHTE-MEKIYTOJSA-N 472.395 -0.870 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783934802 MIVCIKLRBVOIQB-VQYZLWMVSA-N 461.523 -0.677 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccnnc3O)[C@H]2C1 1789115722 UWEZVNGHNKAXTE-SYJIGIJGSA-N 455.475 -0.091 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@H](O)CNC(=O)OC(C)(C)C)C[C@@H]21 1791290829 OTCGRILIGWINHQ-XSLAGTTESA-N 499.609 -0.385 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(=O)nc4sccn34)C[C@@H]21 1791290856 PVVYELHRKNLNOK-DZKIICNBSA-N 476.559 -0.278 50 20 JBGD CC(=O)N1CCN(CC(=O)N2CC[C@H](CNC(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)CC1 1807373924 DKFWKAGTWUQBKC-QPPBQGQZSA-N 493.373 -0.755 50 20 JBGD CC(C)CNC(=O)C(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1808443904 NPXSRWTWCZAKHU-AZUAARDMSA-N 452.320 -0.147 50 20 JBGD CNC(=S)NCCC(=O)N1CC[C@@H](CNC(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1810302644 MACVFLJZOAYCBO-KXBFYZLASA-N 484.586 -0.116 50 20 JBGD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1)[C@@H](O)N1CCOCC1 1819445284 UGCBJHCQWSBNFC-DYESRHJHSA-N 457.296 -0.954 50 20 JBGD COC(=O)[C@@H]1CC[C@@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)C1 1830708934 QQPGRHFXBCBGIP-PMAPCBKXSA-N 474.319 -0.974 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)C1CCC(CO)CC1)CCO2 1832519104 WMHBGTCWZZXMDG-QPFKGPCDSA-N 460.336 -0.765 50 20 JBGD C[C@H](CS(C)(=O)=O)C(=O)N1CCC(N2CCC(NC(=O)c3cccc(B(O)O)c3)CC2)CC1 1834800109 WGLFLHBSLBFNQW-MRXNPFEDSA-N 479.408 -0.768 50 20 JBGD O=C(CCBr)N1CCO[C@@]2(COCCN(C(=O)c3cc(=O)n4[nH]cnc4n3)C2)C1 1834822489 QETJUZULPTURJH-KRWDZBQOSA-N 469.296 -0.727 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1)c1cc(O)nc(O)c1 1834986864 DKLXQVZMJLCOGT-UHFFFAOYSA-N 468.319 -0.328 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)c3ccc(OC(F)F)cn3)C2)C1 1835929351 LWGAVAMRPJXELW-QFIPXVFZSA-N 491.256 -0.253 50 20 JBGD O=C(c1ccnc(Cl)c1)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835935683 ZZRYVXBCVHWYFB-NRFANRHFSA-N 459.695 -0.201 50 20 JBGD CCCc1onc(C)c1C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835937383 SJAIHQIBLUGFHE-QHCPKHFHSA-N 471.319 -0.001 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1835939596 UXQZHOUKWCTKBV-PBHICJAKSA-N 459.077 -0.873 50 20 JBGD Cc1noc(CC(=O)N2CCC(OC3CCN(C(=O)c4ccc(B(O)O)cc4)CC3)CC2)n1 1837919268 AFHVCSHBKRSJQV-UHFFFAOYSA-N 456.308 -0.087 50 20 JBGD Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)c(C)n1C 1838381986 QCDMPMHMMCITSV-QHCPKHFHSA-N 455.320 -0.294 50 20 JBGD COc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)ccc1O 1838974090 UKFISMYZOUPRGU-HSZRJFAPSA-N 485.497 -0.217 50 20 JBGD C[C@@](Cl)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCN3C(=O)C=CC3=O)C2)C1 1839150799 XTKIGQQXLKEPHK-RTBURBONSA-N 462.330 -0.006 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839199118 JRZZNRNFLAZYRC-WMLDXEAASA-N 459.077 -0.873 50 20 JBGD CC[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)NS(=O)(=O)CC)C2)C1 1839963109 ZZXKQGJJIGGMLI-GRDNDAEWSA-N 484.413 -0.056 50 20 JBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](CO)NC(=O)OC(C)(C)C)C2)C1 1840152906 YKDSFXJEHFVLHA-AVYPCKFXSA-N 479.958 -0.418 50 20 JBGD O=C(c1cc(=O)nc2cccnn12)N1CCOC[C@@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1840188893 JMQQEVICYBVYHH-GOSISDBHSA-N 456.286 -0.037 50 20 JBGD C[C@H](Cn1ccnc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1840433795 HBUZMMTVUHVNJA-DYESRHJHSA-N 450.540 -0.651 50 20 JBGD C[C@@H](Cc1ccco1)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1840469288 HYKRTRZIIAUHRW-GAJHUEQPSA-N 456.304 -0.092 50 20 JBGD COC(=O)c1ccc(OCC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)cc1 1840957767 SIIRTMAADLVHPX-UTKZUKDTSA-N 470.906 -0.092 50 20 JBGD CCOc1ccc(S(=O)(=O)NCC(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1OCC 751360932 HDZWVMHXOVGJRU-GFCCVEGCSA-N 478.549 -0.720 50 20 JBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1 915884835 YCBKCRDEVYAHSE-UHFFFAOYSA-N 469.545 -0.206 50 20 JBGD CC(C)[C@H](CNC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1)N1CCN(C)CC1 916258196 NFIYGAQMTCQNDY-IBGZPJMESA-N 482.655 -0.084 50 20 JBGD CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N1CC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1781339347 RYKFPYNQLRWBDH-FDDCHVKYSA-N 491.350 -0.914 50 20 JBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2)[C@H]1CCCS1(=O)=O 1781652945 QMOTZUDOWQVTOK-DBXWQHBBSA-N 464.349 -0.929 50 20 JBGD C[C@H](NC(=O)c1ccccn1)C(=O)N1CC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1782670434 JKCFQEUIPRXWHR-HJPURHCSSA-N 466.303 -0.977 50 20 JBGD COC[C@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)C3CCN(S(C)(=O)=O)CC3)CCO2)C1 1783875006 NHFDITRDAZMZKA-MAUKXSAKSA-N 451.973 -0.258 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc4nn[nH]c4c3)[C@H]2C1 1790534888 JYROVLSPOWSNRJ-AXHNFQJDSA-N 464.486 -0.137 50 20 JBGD CCOC(=O)O[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21 1790608765 TZQIKBPQHREVLA-PYTWLRIVSA-N 463.491 -0.160 50 20 JBGD CC(=O)c1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C(C)=N/NC(=O)c2ccc[nH]2)C3)n[nH]1 1794559363 OIJZHBJJELWRRS-FAMUFBACSA-N 455.475 -0.051 50 20 JBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CN(Cc2ccccc2)CCO1 1797249229 UONQVAQYJRISSY-XARGGIHNSA-N 487.601 -0.150 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3n(n1)CCCNC3=O)C2 1798440732 XMXYWXSSXMEHEK-BTTYYORXSA-N 466.502 -0.419 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1cnc2ccc(F)cn12 1800058822 GSPFGNBWGJZJEZ-YVWYUNDQSA-N 452.251 -0.330 50 20 JBGD COC(=O)[C@@H]1CCC[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)C1 1800964269 KZKVYZBJTNLLQQ-VBRUWADQSA-N 458.320 -0.451 50 20 JBGD CN1N=C(C(=O)NC[C@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)CCC1=O 1804119289 DJHIPHJULQVQBN-UTKZUKDTSA-N 463.303 -0.311 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1CCN(C(=O)[C@H](O)N2CCOCC2)[C@H]1c1cccnc1 1808417963 UOMHZEOKCSOQHE-CDEDQDMUSA-N 497.556 -0.128 50 20 JBGD COc1cncc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)c1 1832918787 DAWCILVOQOWXMA-QHCPKHFHSA-N 477.562 -0.148 50 20 JBGD CC[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)CNCP(=O)(O)O)CCO2)C1 1835542681 ZSQSPDVNZCDSQK-DOMZBBRYSA-N 472.273 -0.659 50 20 JBGD CC(C)N1CCC(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)CC1 1835927550 SQQNTCUPWQGDIY-XMMPIXPASA-N 473.379 -0.443 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)c3cc(Cl)cc4nn[nH]c34)C2)C1 1835931084 FKWSBRGIZVCKJY-JOCHJYFZSA-N 499.720 -0.325 50 20 JBGD CCc1[nH]nc(C(=O)N2CCOC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)c1Cl 1835935349 BQDFVMVABCVKEW-NRFANRHFSA-N 476.726 -0.311 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)[C@H]3ON=C(c4ccccc4)O3)C2)C1 1835938071 IEEBFDLYRIRNPN-RPWUZVMVSA-N 495.297 -0.829 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)CC3CCOCC3)C2)C1 1837457473 DGLTVEKVKRHYOR-QFIPXVFZSA-N 461.519 -0.428 50 20 JBGD C[C@@](Cl)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1839153670 OAFCYAIOIZYAHN-MOPGFXCFSA-N 474.345 -0.009 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(F)cc([N+](=O)[O-])c1)CCO2 1839353322 OCBYPLKCEISBRZ-JOCHJYFZSA-N 487.249 -0.203 50 20 JBGD CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1839387733 SEVZAKLQZDYHTA-PSTGCABASA-N 484.319 -0.024 50 20 JBGD Cc1cn(CC(=O)N2CCO[C@]3(COCCN(C(=O)CCBr)C3)C2)c(=O)nc1O 1840806922 QFLXOYWRQRDZBJ-SFHVURJKSA-N 473.324 -0.501 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC2(CCCN2C(=O)CN2CCN(C(=O)OC(C)(C)C)CC2=O)C1 1847123767 GKWPJTQNABWBOY-UHFFFAOYSA-N 494.593 -0.358 50 20 JBGD NS(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)NNC(=O)COc2ccccc2O)c1 730782019 DRACTCYDEDDVEK-UHFFFAOYSA-N 450.473 -0.284 50 20 JBGD CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NNC(=O)CNC(=O)c2ccco2)c1 751206821 NWQKJFITJBNXQV-UHFFFAOYSA-N 453.477 -0.951 50 20 JBGD C[C@@H](CN1CCCC1=O)NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 918100108 OWLXAMAWPGSSSW-AWEZNQCLSA-N 453.521 -0.338 50 20 JBGD Cn1c(=O)n(CC(=O)N2CC[C@@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)c2ccccc21 1778165197 VICMGLXFKOOFOU-XMMPIXPASA-N 478.314 -0.837 50 20 JBGD C[C@@H](C(=O)N1CC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1)n1ccccc1=O 1779274868 ZPULECBSXWNWIP-OYHNWAKOSA-N 454.487 -0.449 50 20 JBGD COC(=O)[C@H]1CCC[C@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)C1 1786984014 ZACAFKLRJNOBKQ-OEUJLIAZSA-N 472.347 -0.061 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](N)Cc3cscn3)C[C@@H]21 1788610444 SALAYXSFTYYQTN-JUKXBJQTSA-N 473.559 -0.695 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CC[C@H]2CO[C@@H](CNC(=O)C3(Br)CC3)[C@H]2C1 1789930536 NXUHFMJBCCVGGS-BPUTZDHNSA-N 451.126 -0.113 50 20 JBGD C[C@@H](Oc1cccnc1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1791651221 HCRCAFOUBULBFO-GWKIZSTFSA-N 453.304 -0.178 50 20 JBGD CC(=O)N1CCN(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](C)CBr)CC1 1792870565 GICZQIDJRXIHIW-SCNOPHJPSA-N 459.385 -0.229 50 20 JBGD CN(CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCS(C)(=O)=O)C2)NC(=O)NCc1ccccc1 1799099146 QHASZKUHDFQXRP-RMFSNUHRSA-N 495.602 -0.643 50 20 JBGD CN(CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCNC(=O)C1)NC(=O)NCc1ccccc1 1801069041 DIUSDNFAMJNSQC-NXWNEQKCSA-N 486.573 -0.552 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@H](CNC(=O)[C@@H]2C[C@H](O)CN2)[C@@H]1c1cccnc1 1807694675 DKQGDJNPOJGKBC-LNMJFAINSA-N 453.503 -0.878 50 20 JBGD C[C@@H](CS(C)(=O)=O)C(=O)N1CCC2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)CC1 1809978119 VAYBPQGGXWZNFA-INIZCTEOSA-N 450.366 -0.108 50 20 JBGD C[C@H](CC(N)=O)C(=O)N1CC[C@@H](CNC(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1810295376 SIBNMIKLNGIXTP-WTANOLMUSA-N 453.503 -0.089 50 20 JBGD CCS(=O)(=O)N[C@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815336061 ZLTKYHSXCJZMKJ-BXUZGUMPSA-N 480.377 -0.624 50 20 JBGD CN(C)NC(=O)CCC(=O)N[C@H]1CCc2nc(NC(=O)c3cnccc3C(=O)NN)sc2C1 1819800132 MENGYXVDZQYSOQ-NSHDSACASA-N 474.547 -0.260 50 20 JBGD C[C@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNCP(=O)(O)O)C2)C1 1830537095 BHEWDLDMCVFBEU-IUODEOHRSA-N 472.273 -0.801 50 20 JBGD O=C(c1ccc2nc(CO)[nH]c2c1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835928388 NPQWBBZKBNIVRK-XMMPIXPASA-N 494.313 -0.881 50 20 JBGD O=C(Cc1ccccc1F)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835929506 RVHAFGOORFURRB-HSZRJFAPSA-N 456.279 -0.182 50 20 JBGD COC(=O)[C@@H]1CC[C@H](C(=O)N2CCOC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)C1 1835933781 DGVZWGVTIYXVTQ-YZZKKUAISA-N 474.319 -0.974 50 20 JBGD Cc1nccn1[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837461584 YZQACVGUZKXQEX-QRQCRPRQSA-N 471.518 -0.479 50 20 JBGD O=C(CN(CCO)CCO)N1CCC(OC2CCN(C(=O)[C@@H](F)Br)CC2)CC1 1838648072 IDSCHJQZORZDAM-QGZVFWFLSA-N 468.364 -0.038 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc3ccnn13)CCO2 1839498705 NCZFQABGVYEGJJ-HSZRJFAPSA-N 479.497 -0.283 50 20 JBGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)C[C@@](C)(O)CC(=O)O)C2)C1 1840036776 QZFCYTHRUZQMAH-VUCTXSBTSA-N 451.314 -0.158 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cn(C(C)(C)C)nn3)C2)C1 1840185167 GUMMWCPDCDSDII-OAQYLSRUSA-N 465.555 -0.524 50 20 JBGD CC(C)(C)OC(=O)N1C[C@@](C)(O)C[C@H]1C(=O)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843012297 ABXPANORHVJDOT-MBSDFSHPSA-N 487.362 -0.056 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CC2(CCCN2C(=O)[C@@H](O)N2CCOCC2)C1 1844296626 PLEXRFLIDCJOMY-LJQANCHMSA-N 462.459 -0.012 50 20 JBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1cc(I)ccc1-n1cnnn1 728384906 SCYYHCPTGBTADG-QMMMGPOBSA-N 476.256 -0.537 50 20 JBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Br 729276118 XHPLGBVCWLHIOW-SNVBAGLBSA-N 497.393 -0.068 50 20 JBGD COCCn1cnc2c1c(=O)n(CC(=O)NNC(=O)NCc1cocn1)c(=O)n2Cc1ccccc1 730909191 BLDBAQRXJFDUGR-UHFFFAOYSA-N 496.484 -0.427 50 20 JBGD COCCn1cnc2c1c(=O)n(CC(=O)NN=Cc1ncc[nH]1)c(=O)n2Cc1ccccc1 731150608 DQAHLYDQWSJRKY-UHFFFAOYSA-N 450.459 -0.072 50 20 JBGD Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NNC(=O)CNC(=O)c1cccs1 751209780 TUSOFYMITUYLDX-UHFFFAOYSA-N 455.518 -0.702 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(=O)c3ccco3)[C@H]2C1 1787082221 LMCNXPSWHGWQHE-OWQGQXMQSA-N 470.486 -0.699 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)n3cncn3)C[C@@H]21 1787508394 WBZMHXYPEDJXET-MMGYIDLSSA-N 456.507 -0.047 50 20 JBGD CCNC(=O)N[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C[C@@H]21 1788562492 QBANBPSWBURMGM-FLBKYGSDSA-N 475.550 -0.192 50 20 JBGD C[C@@H](NC(=O)OCc1ccccc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795736807 LELOURNDLXBSLX-ALOBAPJISA-N 495.341 -0.116 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)CS(C)(=O)=O)C2 1796439427 CSJSETWWFLRMRL-RMTJUBHUSA-N 467.548 -0.609 50 20 JBGD C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN(C)NC(=O)NCc1ccccc1 1799094939 KWBFJQNGZUBWJN-RPUPUWCGSA-N 471.558 -0.040 50 20 JBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1cn2c(nc1=O)SCC2)c1cccc(B(O)O)c1 1799840845 HZZWLGGMLJADAP-BCDXTJNWSA-N 468.344 -0.477 50 20 JBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1ON=C(c3ccccc3)O1)C2 1801011741 ZXGREKNOKKXSOS-LIWAJOSJSA-N 459.503 -0.316 50 20 JBGD O=C(NC[C@H]1CCN(C(=O)c2cnncc2C(=O)O)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807360945 MXKPIAGLIWDNGF-UZLBHIALSA-N 475.270 -0.117 50 20 JBGD CC(C)(C)c1cnc(C(=O)N2CCOC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)cn1 1835936734 ALDYMVXKTFGFPR-DEOSSOPVSA-N 482.346 -0.162 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)c3cccn4cncc34)C2)C1 1835936775 CMTSUNSIXYUAQP-HSZRJFAPSA-N 464.287 -0.602 50 20 JBGD COc1ncccc1CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnccc1C(=O)NN)CCO2 1837457020 SPCWRNKYCJYQIF-DEOSSOPVSA-N 498.540 -0.209 50 20 JBGD C[C@H](NC(=O)c1cnccn1)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1837608844 KFOCELFDFVRQGI-WPKBUWHJSA-N 488.314 -0.258 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCC(OC2CCN(C(=O)Cn3ccnn3)CC2)CC1 1837980451 VBMLIHJTZUDJQG-UHFFFAOYSA-N 456.507 -0.411 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCC(OC2CCN(C(=O)C[C@](C)(O)CC(=O)O)CC2)CC1 1838791257 LTUPVIGQVLKWLF-QFIPXVFZSA-N 470.567 -0.026 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(CN(C(=O)CCS(C)(=O)=O)CCO2)C1 1840549395 MHDZZJHTIGECDX-QCBCRBAMSA-N 483.547 -0.989 50 20 JBGD COC(=O)c1cc(Br)ccc1S(=O)(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 728509956 SMJRMFZZUCQFDY-ZETCQYMHSA-N 458.312 -0.517 50 20 JBGD O=C(CN1CCS(=O)(=O)CC1)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 916107779 FTSMIKPYCZNGNF-UHFFFAOYSA-N 458.562 -0.647 50 20 JBGD CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1784818121 RBOIYAWJFUHHGC-FFGOWVMKSA-N 487.362 -0.031 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)n3ccnn3)[C@H]2C1 1790639917 LHPUHIXDZIJLND-GUXQRHPKSA-N 456.507 -0.047 50 20 JBGD CC[C@@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCS(=O)(=O)CC3)C[C@@H]21 1790958209 MAUFVCXMYHVXMH-JONQDZQNSA-N 480.425 -0.130 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(-c3ccccn3)[nH]n1)C2)c1ccc(B(O)O)cc1 1795734291 LMLOWCICESWCHB-VPTLXERWSA-N 461.287 -0.332 50 20 JBGD COc1ccc2[nH]cc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)c3cccc(B(O)O)c3)c2n1 1795740267 MKPALJFXFUDJIW-YVWYUNDQSA-N 464.287 -0.232 50 20 JBGD C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807366924 VXWBDWQRRAFCML-UEAAHPPJSA-N 462.315 -0.061 50 20 JBGD O=C1NCCn2nc(C(=O)N3CCC4(CCCN(C(=O)c5ccc(B(O)O)cc5)C4)CC3)cc21 1809968350 VDWDOMAXJONAHU-UHFFFAOYSA-N 465.319 -0.535 50 20 JBGD O=C(O)CSCC(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1813084326 AXPBKTPMXYVUGD-JXFKEZNVSA-N 457.317 -0.101 50 20 JBGD Cc1cn(CC(=O)NC[C@H]2CCN(C(=O)CCC(=O)NN(C)C)[C@@H]2c2cccnc2)c(=O)nc1O 1814036850 GFYHHBHOGMFFKV-DYESRHJHSA-N 485.545 -0.269 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)[C@H]3CC[C@@H]4CCC(=O)N4C3)CC2)CC1)c1ccc(B(O)O)cc1 1834798275 AYZUMBDKQKSDIH-WMZHIEFXSA-N 496.417 -0.047 50 20 JBGD C[C@H](C(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1)n1ccnn1 1834799133 OWIYUISBIABHPS-MRXNPFEDSA-N 454.340 -0.596 50 20 JBGD COC(=O)[C@@H]1CC[C@@H](C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)C1 1835926625 VJTDQDATSSQIDF-PMAPCBKXSA-N 474.319 -0.974 50 20 JBGD O=C(CS[C@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835930207 BWPGWEDJJPFZQI-RBBKRZOGSA-N 478.376 -0.304 50 20 JBGD O=C(Cc1cccc(F)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835935701 MPSGEZUZQSVDSR-HSZRJFAPSA-N 456.279 -0.182 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nnsc3C3CC3)C2)C1 1837457820 SOAREILXSARWBJ-NRFANRHFSA-N 487.542 -0.202 50 20 JBGD CCOC(=O)N[C@H](O)C(=O)N1CCC(OC2CCN(C(=O)c3cnccc3C(=O)NN)CC2)CC1 1838357647 JOHXOBUDJVIYPS-LJQANCHMSA-N 492.533 -0.638 50 20 JBGD C[C@H](NC(=O)c1ccccn1)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1839665955 GYZPNQJYQALIKV-YYFZDKIDSA-N 454.911 -0.744 50 20 JBGD COCCOCCOCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1840075867 GJNGSRWBDKWIIV-LPHOPBHVSA-N 452.932 -0.888 50 20 JBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cn4[nH]cnc(=O)c4c3C)C2)C1 1840154036 IQMBCLJJIYVMPF-YWZLYKJASA-N 467.910 -0.345 50 20 JBGD C/C(=C\c1cccnc1)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1840412941 VBTZYRUUXNMYQU-XBEJUPMFSA-N 465.315 -0.065 50 20 JBGD COc1cc2c(cc1OC)[C@@H](CC(=O)NNC(=O)CCCS(C)(=O)=O)N(S(C)(=O)=O)CC2 731223811 OVULLPNYRDUEHM-OAHLLOKOSA-N 491.588 -0.075 50 20 JBGD O=C(CCNS(=O)(=O)c1ccc2c(c1)OCCCO2)NNC(=O)[C@@H]1CCS(=O)(=O)C1 918210494 ZIOLCUKBBFETMS-GFCCVEGCSA-N 461.518 -0.902 50 20 JBGD CN(CCCC(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(F)cc1 919885994 SJHDEYMWHFZRDL-ZDUSSCGKSA-N 450.514 -0.256 50 20 JBGD Cc1cc2nnc(C(=O)N3CC[C@@]4(CN(C(=O)c5cnccc5C(=O)NN)CCO4)C3)c(C)n2n1 1777782090 GMPGEVIZKXQYBO-QFIPXVFZSA-N 479.501 -0.503 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cncn3-c3ccncc3)C[C@@H]21)c1cccc(B(O)O)c1 1786984444 HGFSVEVPZYTRDU-XJABCFGWSA-N 475.314 -0.146 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COCCNC(=O)OC(C)(C)C)C[C@@H]21 1791291016 WJUZHABEMSEKKZ-BZSNNMDCSA-N 499.609 -0.120 50 20 JBGD Cc1cn(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](C)CBr)c(=O)nc1O 1792872853 AWJILOLPZHTNKT-DNVSUFBTSA-N 457.325 -0.122 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)C1CCN(Cc2ccccn2)CC1 1794160004 NWOPJFFKXNXKMQ-RUMRUAAYSA-N 492.385 -0.123 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1sc2nccnc2c1N 1795705640 BACQPOXSLUIQJY-QHBPRCKVSA-N 482.526 -0.211 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(OC3CCOCC3)n1)C2)c1ccc(B(O)O)cc1 1795735281 VMDSBHGQDBAZQV-FEJSZKPUSA-N 495.341 -0.164 50 20 JBGD C[C@H](NNc1ccccc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795736837 KOPUPMJUVHQLHZ-JWVYWZTKSA-N 452.320 -0.425 50 20 JBGD Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)c(-n2nccn2)c1 1795740198 DAIDHUISZVFJLB-OPMZPASUSA-N 475.314 -0.227 50 20 JBGD NC[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN)c1ccccc1 1797750723 RCIAYVACMHPZHB-WQDJSCAQSA-N 452.515 -0.369 50 20 JBGD CC(=O)Nc1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)c1 1801786605 ZKMGBTZNSDTXEV-RMFSNUHRSA-N 451.288 -0.158 50 20 JBGD CC(C)(C)OC(=O)N1CCO[C@H](C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)C1 1830881507 YIFRUSZYULAGIV-QYWGDWMGSA-N 491.969 -0.322 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)N3CCCC3)CCO2)C1 1832424463 YZZPONXCVCUHQA-HSZRJFAPSA-N 488.545 -0.842 50 20 JBGD CC[C@@H](NC(C)=O)C(=O)NC1CCN(C2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1 1833097349 NVBFASSKJMLIHT-LJQANCHMSA-N 452.600 -0.154 50 20 JBGD CCS(=O)(=O)N[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1 1833450889 NDHWJSDLARORLG-MRXNPFEDSA-N 488.655 -0.741 50 20 JBGD O=C(Cc1ccccc1O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835940018 SUYCBHWKNKOCIU-HSZRJFAPSA-N 454.288 -0.615 50 20 JBGD Cc1cnc2c(C(=O)N3CCO[C@]4(COCCN(C(=O)c5ccc(B(O)O)cc5)C4)C3)cnn2c1 1836947165 ORAIOZBHRPNFIF-QHCPKHFHSA-N 479.302 -0.899 50 20 JBGD C[C@](O)(C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1)C(F)(F)F 1837455999 GZUPGTCNJWPDOB-ZWKOTPCHSA-N 475.424 -0.932 50 20 JBGD COC[C@H](NC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)Br)C2)C1 1837735870 BNHAENJDYQIKFJ-RVSPLBMKSA-N 450.330 -0.623 50 20 JBGD Cc1ccc(O)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)c1 1838892694 VHCPNPFSFZABQM-HSZRJFAPSA-N 454.288 -0.236 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(CO)c(F)c3)C2)C1 1840186680 CNMQLAIHERYIPG-QFIPXVFZSA-N 466.510 -0.239 50 20 JBGD CC(C)(C)OC(=O)N1[C@H]2C[C@@H](C[C@@H]2O)[C@H]1C(=O)N1CCCC12CN(C(=O)c1cccc(B(O)O)c1)C2 1846203433 ZAARVELZSIBXNP-LEAZDLGRSA-N 499.373 -0.058 50 20 JBGD O=C1Cc2ccccc2C(=O)N1CCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc(B(O)O)cc1 1847613213 XRXDJPPRELZTPE-SFTDATJTSA-N 475.310 -0.203 50 20 JBGD COc1cc2c(cc1OC)[C@@H](CC(=O)NNC(=O)c1n[nH]c(O)n1)N(S(C)(=O)=O)CC2 918319055 IGCGPTNIBPHTQI-LLVKDONJSA-N 454.465 -0.762 50 20 JBGD O=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)NNC(=O)N[C@H]1CCS(=O)(=O)C1 919889312 KXHHSRDRDFACPH-HNNXBMFYSA-N 458.562 -0.079 50 20 JBGD COCCn1nc(C(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)ccc1=O 1318289078 ALEAPEFWMAIKFA-UHFFFAOYSA-N 450.521 -0.417 50 20 JBGD COc1nn(C)cc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCC(=O)NN(C)C)C1 1782209022 HCBQNPFUUTZWFN-IIBYNOLFSA-N 450.540 -0.071 50 20 JBGD CC[C@@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)CN3CCS(=O)(=O)CC3)CCO2)C1 1783342400 ISGXBFRPSCGXON-RHSMWYFYSA-N 466.398 -0.280 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CSc3ncccn3)C[C@@H]21)c1cccc(B(O)O)c1 1786984716 ZYBKMDJNEZTCHZ-SZMVWBNQSA-N 456.333 -0.458 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CSc3nc[nH]n3)[C@H]2C1 1791557337 FYKDHPXHOSMGCJ-CQDKDKBSSA-N 460.520 -0.811 50 20 JBGD CC(=O)NCC(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C(C)=N/NC(=O)c1ccc[nH]1)C2 1793470105 MTLMMHZJHAEHAJ-MWNLDVRMSA-N 460.535 -0.128 50 20 JBGD Cc1c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)ccc2c1OCCO2 1795734813 TZABKLRPFXMGQQ-UPHUGPLXSA-N 466.299 -0.037 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nnsc1C1CC1 1796643102 IMFQNKSWYHDSPE-JJLQDPRZSA-N 457.516 -0.069 50 20 JBGD COc1nc(C)ccc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1798247256 JOUFAKHSYNPMEE-ZSBFGKGUSA-N 454.487 -0.086 50 20 JBGD CC(=O)N[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1ccc(F)cc1 1799056089 NUCHKUMYRHCJPZ-GMQQQROESA-N 483.305 -0.414 50 20 JBGD CS(=O)(=O)N1CCC(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](F)Br)CC1 1799347923 XPPHMDGUOGHKKL-CRWXNKLISA-N 470.361 -0.062 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1ccccc1-n1nccn1 1799670525 RWYKQVOKFKIDQD-UPHUGPLXSA-N 461.287 -0.536 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)CN2CC(=O)NC2=O)[C@@H]1c1cccnc1 1804190827 OCPNFVVRIAYVHV-QRWLVFNGSA-N 459.507 -0.988 50 20 JBGD C[C@H](C(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1)N1CCN(C)CC1 1807862935 ILMREQXTVYXJGA-AAIMPIBUSA-N 479.390 -0.283 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@H]1CCN(C(=O)CCN2C(=O)C=CC2=O)[C@@H]1c1cccnc1 1810295712 VUFRGHGWIHKKPQ-OPAMFIHVSA-N 491.508 -0.285 50 20 JBGD CCNC(=S)NCC(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1812330095 FQNFYIPZGCTSJZ-PXNSSMCTSA-N 469.376 -0.435 50 20 JBGD O=C(Cn1cc([N+](=O)[O-])cn1)N[C@@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815350165 HJORNSBXJGXLLE-CYBMUJFWSA-N 470.276 -0.146 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)CN2CCS(=O)(=O)CC2)n[nH]1 1815672850 HINRFTCSRHMIDT-MRXNPFEDSA-N 483.595 -0.495 50 20 JBGD O=C(N[C@H]1CCc2nc(NC(=O)c3nc[nH]c3[N+](=O)[O-])sc2C1)c1cccc(B(O)O)c1 1817200144 PNQMMDGCWWAHHV-NSHDSACASA-N 456.249 -0.006 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830728304 RKOQDEOOKRLQCG-BDKYIUAESA-N 455.899 -0.824 50 20 JBGD O=C(CCc1ccc2c(c1)OCO2)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1835181188 XYZPZNYFRDMHPQ-VWLOTQADSA-N 496.325 -0.202 50 20 JBGD C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837459146 KESCUMRHHKHZBU-HTAPYJJXSA-N 461.519 -0.672 50 20 JBGD COC(=O)C12CC(C(=O)N3CCOC[C@]4(CN(C(=O)c5cnccc5C(=O)NN)CCO4)C3)(C1)C2 1837460755 JYEQNQJQSGDDMJ-VNXZQDSDSA-N 487.513 -0.902 50 20 JBGD CNC(=S)NCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)Br)C2)C1 1837467891 UVADKBPGSIQGHR-LRDDRELGSA-N 451.387 -0.290 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCC(OC2CCN(C(=O)c3cnc(O)nc3O)CC2)CC1 1837919416 OJXHKAMMUMKEDR-UHFFFAOYSA-N 470.291 -0.506 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc[n+]([O-])cc1)CCO2 1838334905 QZFFUOIURNWJKE-ZHNJOBQTSA-N 470.486 -0.476 50 20 JBGD N#Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)ccc1F 1839186281 KGWUCCCFNPGGJT-DEOSSOPVSA-N 481.289 -0.310 50 20 JBGD O=C(Cn1cccc([N+](=O)[O-])c1=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1839718564 BLIGLLYHUANDAT-PBHICJAKSA-N 491.270 -0.097 50 20 JBGD C[C@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN(C)NC(=O)NCc3ccccc3)C2)C1 1840026258 FUKZTJCTFJXUAW-HTAPYJJXSA-N 463.535 -0.830 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc4ccnn34)C2)C1 1840185451 QQXQJHYGQKNNSO-JOCHJYFZSA-N 458.519 -0.223 50 20 JBGD CCOC(CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1)OCC 1840281041 VAKFGTFXANFCJG-QFIPXVFZSA-N 464.324 -0.774 50 20 JBGD CC(C)(C)OC(=O)N[C@]1(C(=O)N2CC3(CCCN3C(=O)c3ccc(B(O)O)cc3)C2)CCOC1 1843011870 DZXXEZLYXWXBOR-HSZRJFAPSA-N 473.335 -0.133 50 20 JBGD CN1CCN(CC(=O)N2CC3(CCCN3C(=O)CN(C)NC(=O)NCc3ccccc3)C2)CC1 1845038845 ACKSYGWLWBOLOG-UHFFFAOYSA-N 471.606 -0.217 50 20 JBGD Cn1nc(Br)c2c(=O)n(CC(=O)NNC(=O)c3csc(N4CCOCC4)n3)cnc21 727098233 JJEFMSZAVZYFIP-UHFFFAOYSA-N 497.335 -0.353 50 20 JBGD CCn1cnc2c1c(=O)n(CC(=O)NNC(=O)[C@@H](C)NC(C)=O)c(=O)n2Cc1ccccc1 920504935 LWZZTFSHPKWXJN-CYBMUJFWSA-N 455.475 -0.900 50 20 JBGD Cc1cc(C(=O)N2CC[C@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)nc2nccn12 1782353179 UTAZSPMZANSCRY-QFIPXVFZSA-N 464.486 -0.206 50 20 JBGD CC(=O)NCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN(C)NC(=O)NCc3ccccc3)C[C@@H]21 1790847321 QYNRBOMIENYIDJ-UFYCRDLUSA-N 474.562 -0.552 50 20 JBGD COC(=O)C12CC(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)c5cccc(B(O)O)c5)C[C@@H]43)(C1)C2 1791016353 ZXQZQWCFGJQQPQ-KXSMRGEYSA-N 456.304 -0.697 50 20 JBGD COC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)NC(=O)c3cnccn3)C[C@@H]21 1791255354 NXJHVXUEQUNASO-BWJWTDLKSA-N 453.927 -0.172 50 20 JBGD Cc1cc(C(=O)NCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]3C2)no1 1791291130 NDKQCCFDQWXPBE-ZOBUZTSGSA-N 464.523 -0.934 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=O)C(F)(F)F)C[C@@H]21 1791293288 SBJQUFNIHLGZBN-AVGNSLFASA-N 451.446 -0.982 50 20 JBGD COCCOCCOCCOCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1 1796190378 SHYIODCOXLJGCZ-WKCHPHFGSA-N 478.351 -0.686 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)N1CCOCC1 1797801465 CLWYQNICBNUGLL-SPCJURDBSA-N 490.985 -0.641 50 20 JBGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807371427 UWFQULUYIXVPGQ-UGKGYDQZSA-N 473.103 -0.925 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)CCS(C)(=O)=O)[C@@H]1c1cccnc1 1813577445 UFIDVQUUGOFCSZ-UZLBHIALSA-N 453.565 -0.105 50 20 JBGD CC(=O)N/C(=C\c1ccco1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830732856 BXEFPFATEGNRKX-CCJMMYMESA-N 455.895 -0.187 50 20 JBGD CC(C)(C)OC(=O)N1CCOC[C@@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1832004922 RNHSUEKBSSVSJO-ZOCZFRKYSA-N 491.969 -0.322 50 20 JBGD COCCOCCOCCOCC(=O)N1CCC(N2CCC(NC(=O)[C@H](O)CCl)CC2)CC1 1833312829 GZPJFCKQEGFTTR-HXUWFJFHSA-N 494.029 -0.146 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)c3onc4ccccc34)C2)C1 1835932245 WFNJVYFYYVCZSL-QHCPKHFHSA-N 465.271 -0.109 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)C(Cl)(Cl)Cl)C2)C1 1835940172 XMOLADAFKZAPFZ-INIZCTEOSA-N 465.526 -0.193 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1Cc3ccccc3O1)CCO2 1836650319 GTHFFQUVROGVCX-YKSBVNFPSA-N 481.509 -0.241 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)CCO2 1838827922 DAXJTPLABWHQPG-LJQANCHMSA-N 452.468 -0.634 50 20 JBGD CC[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(=O)n4[nH]cnc4n3)C2)C1 1839964337 OVQRUNYXGFXQNA-KPZWWZAWSA-N 483.323 -0.339 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(CN(C(=O)COc3ccccc3F)CCO2)C1 1839969619 KNDOJRIZJIFPPI-QHCPKHFHSA-N 487.488 -0.027 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CC2(CCCN2C(=O)C[C@@H]2NC(=O)NC2=O)C1 1841960993 GSXQCACUOVPWQQ-AWEZNQCLSA-N 459.415 -0.065 50 20 JBGD CCN1C(=O)c2ccc(C(=O)OCC(=O)NNC(=O)[C@H]3COc4ccccc4O3)cc2S1(=O)=O 728332417 OOBBVFJECSWLCW-MRXNPFEDSA-N 489.462 -0.005 50 20 JBGD COc1ccc(CC(=O)NNC(=O)CN2CCCC2=O)cc1S(=O)(=O)N1CCOCC1 789856887 LKUGEDMGAIKTFF-UHFFFAOYSA-N 454.505 -0.972 50 20 JBGD CC(=O)Nc1cccc(C(=O)N2CCO[C@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)n1 1779028503 MJEVXEKNBYUGNB-QFIPXVFZSA-N 467.486 -0.204 50 20 JBGD O=C(/C=N/N1CCCCC1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2 1779362872 SXRFDUAAFLTWBR-BYLPDHQTSA-N 456.352 -0.034 50 20 JBGD C[C@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)C2)N1CCN(C)CC1 1780641914 JCHKTIFNSQFVDZ-DNVFCKCGSA-N 466.627 -0.491 50 20 JBGD C[C@@H](CBr)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1783968608 YKQNVLMFDLRNGR-CSFVBSKPSA-N 453.142 -0.009 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc4ncnn4c3)C[C@@H]21)c1cccc(B(O)O)c1 1786984812 MGHSQVAFLMVIBJ-IHPCNDPISA-N 463.303 -0.755 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)C1=NN(c2ccccc2)C(=O)C1 1787539105 PDHPNQSMWZFOJS-XJABCFGWSA-N 490.325 -0.247 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H](CNC(=O)CN2C(=O)C=CC2=O)[C@@H]1c1cccnc1 1813175153 NRVHHZKMNRXULX-VFNWGFHPSA-N 477.481 -0.675 50 20 JBGD O=C(CN1C(=O)CSC1=S)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1814186754 WUDKDELEFZGZSH-JXFKEZNVSA-N 498.395 -0.059 50 20 JBGD O=C(CS(=O)(=O)N1CCCC1)Nc1nc2c(s1)C[C@H](NC(=O)c1cccc(B(O)O)c1)CC2 1817271484 DPFKGOWDPFLCHQ-OAHLLOKOSA-N 492.388 -0.526 50 20 JBGD CC(=O)OC[C@@H](OC(C)=O)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1819431528 WNEYGHLINFZUEU-RBUKOAKNSA-N 486.290 -0.110 50 20 JBGD C[C@@H](O)[C@H](NC(=O)c1ccccc1)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](O)CCl)CCO2)C1 1830719779 KHOGNADWJVCFCB-YDGKCNFYSA-N 483.949 -0.778 50 20 JBGD CC(=O)c1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)n[nH]1 1833827098 DDOMSNPLKWJSKR-HXUWFJFHSA-N 450.496 -0.945 50 20 JBGD O=C(CN1CCCC1=O)NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1834626489 UMXNEDJLKOQPQF-UHFFFAOYSA-N 456.352 -0.826 50 20 JBGD N=C(N)SCCC(=O)NC1CCN(C2CCN(C(=O)c3cnccc3C(=O)NN)CC2)CC1 1834709272 ZNRGAWQTFTYSKD-UHFFFAOYSA-N 476.607 -0.113 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)[C@@H]3CC[C@H]4CCC(=O)N4C3)CC2)CC1)c1ccc(B(O)O)cc1 1834798276 AYZUMBDKQKSDIH-XXBNENTESA-N 496.417 -0.047 50 20 JBGD Cc1cc(O)c([N+](=O)[O-])cc1C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835932237 VMMYTVVAZSVDAF-QHCPKHFHSA-N 499.285 -0.328 50 20 JBGD O=C(c1ccc2c(c1)COC2)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835936822 FNPYZNYEJOHWKE-DEOSSOPVSA-N 466.299 -0.220 50 20 JBGD CCN(CC)C[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835939713 FIWWDGMIDOWSJG-WZONZLPQSA-N 461.368 -0.586 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cscn3)C2)C1 1837457921 WEVHRELDBQNMRP-HXUWFJFHSA-N 460.516 -0.546 50 20 JBGD CN[C@@H](CC(=O)N1CCC(OC2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1)C(=O)O 1837885681 LDGTYYYJVUGRMT-IBGZPJMESA-N 461.324 -0.959 50 20 JBGD CC[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)CN(C)C(=O)C(=O)O)CCO2)C1 1839704399 NRTBQUPAMKTDTA-SJCJKPOMSA-N 464.313 -0.841 50 20 JBGD C[C@H](NC(=O)c1cnccn1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)Br)CCO2 1840034038 YLBCHTXWPZJXSS-TYILLQQXSA-N 484.351 -0.165 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCc4nc[nH]c4C3)C2)C1 1840185015 ITNONFBRLQLZMD-ZHRRBRCNSA-N 462.551 -0.656 50 20 JBGD C[C@H](Oc1ccccn1)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1840427620 MMBUNVFLUWHBBV-JTSKRJEESA-N 463.535 -0.322 50 20 JBGD CCC[C@@H](NC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1840853593 LJCUSKMINFPDNX-XMSQKQJNSA-N 476.534 -0.940 50 20 JBGD NS(=O)(=O)c1ccc(N2CCN(C(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)CC2)cc1 729221707 XZNMEZUPYGGHEO-UHFFFAOYSA-N 471.503 -0.514 50 20 JBGD O=C(NNC(=O)[C@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1)N[C@H]1CCS(=O)(=O)C1 730535618 RHQHYISAGRAUMH-HOTGVXAUSA-N 458.562 -0.254 50 20 JBGD Cn1nc(SCC(=O)NN/C=C2\C(=O)N(c3ccccn3)C(=O)c3ccccc32)c(=O)n(C)c1=O 730990206 UZZXKZAANYVRCQ-PTNGSMBKSA-N 493.505 -0.185 50 20 JBGD O=C(COC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1)NNC(=O)c1cccc(Cl)c1 753639598 FIWPSIVXJYKCJI-ZDUSSCGKSA-N 470.891 -0.190 50 20 JBGD COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)OCC(=O)N2CCNC(=O)C2)cc1 914016086 IDWDBTNOMIHRRL-MHWRWJLKSA-N 480.481 -0.157 50 20 JBGD COc1cc2c(cc1OC)[C@H](CC(=O)NNC(=O)[C@@H](C)S(C)(=O)=O)N(S(C)(=O)=O)CC2 916159651 WJQMFYIOSLHBFO-RISCZKNCSA-N 477.561 -0.467 50 20 JBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)NCCNS(=O)(=O)c2ccccc2)c1 916295081 HSODBCDSWAQUHA-UHFFFAOYSA-N 469.545 -0.141 50 20 JBGD CCNC(=S)NCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCC(=O)NN(C)C)C1 1782213274 KJPMRPYKRSCHEJ-FOIQADDNSA-N 456.613 -0.643 50 20 JBGD Cc1ccn2c(=O)c(C(=O)N3CCO[C@@]4(CCN(C(=O)CCC(=O)NN(C)C)C4)C3)cnc2c1 1783934522 GNDDDVHGJGURKB-HSZRJFAPSA-N 470.530 -0.181 50 20 JBGD COC(=O)[C@H]1CC[C@@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]3C2)C1 1791288031 OSEKOWGFFNYCFB-FPSMNIFISA-N 452.552 -0.072 50 20 JBGD COC(=O)[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)CCl)NC(=O)OC(C)(C)C 1792982643 LDOLAGYPITWVFG-JTTNIQEDSA-N 477.942 -0.368 50 20 JBGD CN(CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cn(C)cn1)NC(=O)NCc1ccccc1 1794903808 JKVLULIHVYYYGX-RMFSNUHRSA-N 469.546 -0.031 50 20 JBGD N[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1cccc(Cl)c1 1795626519 YXXAQJFPCALTFJ-JSJNYSNDSA-N 457.723 -0.077 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1nc2ccc(F)cn2n1 1800132364 ZKHGZYJHDQXWOO-ZSBFGKGUSA-N 453.239 -0.935 50 20 JBGD COC(=O)[C@H]1CC=CC[C@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1800950743 JZBKHOVHYKSQGM-LWASTNQWSA-N 456.304 -0.675 50 20 JBGD COCCOCCOCCOCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](Cl)COC 1800977125 JOJASVHPKZJOCD-DMUMMCEESA-N 480.986 -0.084 50 20 JBGD CC[C@@H](NC(C)=O)C(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1802879903 JSKZHYKYLQEQPU-NRSPTQNISA-N 452.320 -0.004 50 20 JBGD CN1N=C(C(=O)NC[C@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)CCC1=O 1804120233 RPVGQMMCLOCBQZ-UTKZUKDTSA-N 463.303 -0.311 50 20 JBGD CCS(=O)(=O)CC(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807361908 YDIOSUZCNHHMMR-YLJYHZDGSA-N 459.333 -0.484 50 20 JBGD C=CC(=O)N[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1810526706 KFGMLXKZPDJSJT-YWMUFLPLSA-N 450.304 -0.228 50 20 JBGD O=C(c1cnc(Cl)nc1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835926401 MPEDIQTVABWUOH-FQEVSTJZSA-N 460.683 -0.806 50 20 JBGD COC(=O)[C@H]1CC[C@H](C(=O)N2CCOC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)CC1 1835933917 GTGDMWFXPDPVBN-XFAGBWLFSA-N 488.346 -0.584 50 20 JBGD CN(C)c1ccncc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835935627 WASUNJUEYXDHFV-HSZRJFAPSA-N 468.319 -0.789 50 20 JBGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(=O)nc4cccnn34)CCO2)C1 1838503520 YKLOWLQQRAONLR-JLTOFOAXSA-N 465.894 -0.587 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)CC(=O)OC(C)(C)C)C2)C1 1840182495 JYQYIYNMHOFXDF-OAQYLSRUSA-N 456.540 -0.452 50 20 JBGD CCN(CC)S(=O)(=O)c1ccc(N2C[C@@H](C(=O)NNC(=O)CN3CCCC3=O)CC2=O)cc1 789857071 PJONSODUIJWCHM-HNNXBMFYSA-N 479.559 -0.160 50 20 JBGD Cn1ccc2c(O)ncc(C(=O)N3CC[C@]4(CN(C(=O)c5ccc(B(O)O)cc5)CCO4)C3)c21 1779975840 OKLZCYLCUSDLDA-HSZRJFAPSA-N 464.287 -0.284 50 20 JBGD O=C(Cc1cccc([N+](=O)[O-])c1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1792419308 AEIBOFONTJFDAP-UPHUGPLXSA-N 453.260 -0.280 50 20 JBGD CN(CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1CCNC1=N)NC(=O)NCc1ccccc1 1796024271 JQCZPAVTROPWNX-REPLKXPHSA-N 470.578 -0.189 50 20 JBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@H](O)CNC(=O)OC(C)(C)C 1799365540 OXDXFGFDJMQQKU-QOIOWGMHSA-N 485.582 -0.775 50 20 JBGD Cc1cn2c(=O)c(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)CCC(=O)NN(C)C)cnc2s1 1801011440 LZTQPTDZLKJANF-ZSBFGKGUSA-N 476.559 -0.359 50 20 JBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccccc1C(=O)OCCO)C2 1801011862 MOQNXKQEJWSEQQ-VPTLXERWSA-N 476.530 -0.588 50 20 JBGD Cn1c(=O)n(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)c2ccccc21 1830730642 CKZKGHZBIMHQME-UWJYYQICSA-N 466.922 -0.604 50 20 JBGD C[C@H](Br)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)CS(C)(=O)=O)CCO2 1831463077 BYINMBLJYACSGH-XEZPLFJOSA-N 455.371 -0.093 50 20 JBGD Cc1nc(N)sc1C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1835808400 VXKFQAJAODKFRC-IBGZPJMESA-N 454.553 -0.523 50 20 JBGD CC(C)N[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1)C(C)C 1835901885 XTVZSLGNMBHTCG-IFMALSPDSA-N 455.600 -0.162 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)ccc3F)C2)C1 1835939019 BWCLHQKYHAIKNH-QFIPXVFZSA-N 458.251 -0.405 50 20 JBGD COC[C@@H](Cl)C(=O)N1CCC(OC2CCN(C(=O)CN3CCS(=O)(=O)CC3)CC2)CC1 1837079294 PIWDQOHMVRAALU-GOSISDBHSA-N 480.027 -0.031 50 20 JBGD COc1ncc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)cc1C 1837455982 ALXHDJDYMBDQQK-QHCPKHFHSA-N 484.513 -0.219 50 20 JBGD C[Si](C)(C)OCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4c3CS(=O)(=O)C4)C2)C1 1837711456 IVFPPWFCEOVSPW-IBGZPJMESA-N 486.623 -0.240 50 20 JBGD N=C1NCCN1CC(=O)N1CCC(OC2CCN(C(=O)c3cnccc3C(=O)NN)CC2)CC1 1837861115 XYNVIYVLUHQPPN-UHFFFAOYSA-N 472.550 -0.863 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccnc3c1OCO3)CCO2 1838477975 UFBYODRKPGZRBC-QFIPXVFZSA-N 484.469 -0.807 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(O)c(F)c1)CCO2 1839303933 DKJHMPCHDPQOST-QFIPXVFZSA-N 458.251 -0.405 50 20 JBGD CC(=O)NCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc([N+](=O)[O-])ccc3OC(C)=O)C2)C1 1839859549 QOCMJFSRXVWUJU-OAQYLSRUSA-N 478.458 -0.274 50 20 JBGD CCS(=O)(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)Br)CCO2)C1 1840030242 GJZAHKHBOJWGRF-WOSRLPQWSA-N 470.386 -0.446 50 20 JBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)CN(C)S(=O)(=O)c2cccnc2)c1 915107655 GNINXYUEWDCRLA-UHFFFAOYSA-N 455.518 -0.586 50 20 JBGD Cc1cccc(N2CCN(S(=O)(=O)CC(=O)N([C@@H]3CCS(=O)(=O)C3)N(C)C)CC2)c1 919987851 AXUZNGTUDSYETG-GOSISDBHSA-N 458.606 -0.061 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1CC(=O)N(C3CCCC3)C1)CCO2 1779029472 XSYAJAMDSYEHCG-VOIUYBSRSA-N 484.557 -0.080 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1785507750 VETWMBNGCXIEPW-ZGVNINRLSA-N 483.481 -0.041 50 20 JBGD C[S@@](=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2 1792794275 SVVOJJCOUQXQCM-WRWWENCUSA-N 496.026 -0.162 50 20 JBGD Cn1ncc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)c1C(F)(F)F 1795732407 CICQIXIBPPJOSV-YWVIFJGQSA-N 466.225 -0.364 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]c3ccc(F)cc13)C2)c1cccc(B(O)O)c1 1795738703 BLUYELDMPJXDMM-HBCWATKFSA-N 452.251 -0.101 50 20 JBGD C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN(C)NC(=O)NCc1ccccc1)n1cncn1 1799099400 WQHFBABMGMQQPQ-RDPOXOKHSA-N 484.561 -0.225 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)Cc1ccccc1 1800634972 SROLRHVOCZSQOX-JSJNYSNDSA-N 453.499 -0.508 50 20 JBGD CN(CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCOC1)NC(=O)NCc1ccccc1 1801518021 BBOSAPVGIKSMCJ-WERVVEIQSA-N 459.547 -0.041 50 20 JBGD CC[C@H](NC(N)=O)C(=O)N1CC[C@H](CNC(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1810303897 WAQMAKNUXDAXNM-FHLIZLRMSA-N 468.518 -0.153 50 20 JBGD COC[C@H](Cl)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(=O)n4[nH]nnc4n3)sc2C1 1816676227 ZISXXKACVYVSLF-SFYZADRCSA-N 452.884 -0.251 50 20 JBGD COc1ncccc1CCC(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1833004795 LTQHQLYNVTWKHZ-QHCPKHFHSA-N 477.562 -0.148 50 20 JBGD CN(C)c1cncc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)c1 1833361063 GJAHCQBOYIAKCU-QHCPKHFHSA-N 468.319 -0.789 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)c3cn4cccnc4n3)CC2)CC1)c1ccc(B(O)O)cc1 1834798531 IFMZDCLDZPTBMQ-UHFFFAOYSA-N 476.346 -0.092 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC1CCN(C2CCN(C(=O)Cn3ccncc3=O)CC2)CC1 1835117625 FYSWRPFZEGJNJC-OGLMXYFKSA-N 496.572 -0.051 50 20 JBGD Cc1nc(N)sc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1835803948 OFVUHSMVEQNOPV-HXUWFJFHSA-N 475.531 -0.584 50 20 JBGD COc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)ccn1 1835938351 SSRSGYJTCYDWHO-JOCHJYFZSA-N 455.276 -0.846 50 20 JBGD C[Si](C)(C)OCC(=O)N1CCO[C@]2(COCCN(C(=O)CCN3C(=O)C=CC3=O)C2)C1 1837709947 BFSGCLWXWDQRME-FQEVSTJZSA-N 453.568 -0.391 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1Cc3ccccc3N1)CCO2 1839735139 OWMVUFKMWDEEAF-URXFXBBRSA-N 465.315 -0.527 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)C[C@H](N)c3cccnc3)C2)C1 1840183928 IHSGLSMJSYAGKY-PGRDOPGGSA-N 462.551 -0.699 50 20 JBGD Cc1nc(S(=O)(=O)NCC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)cn1C 725879090 WQPBSNRWHZHQTO-UHFFFAOYSA-N 498.587 -0.357 50 20 JBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNS(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)c1 747691838 IXWXAMNTDYRDJH-UHFFFAOYSA-N 467.529 -0.249 50 20 JBGD O=C(CN1C(=O)c2ccccc2S1(=O)=O)NNC(=O)c1csc(N2CCOCC2)n1 788874550 MZFCMSJXKVQTBW-UHFFFAOYSA-N 451.486 -0.415 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccccc3C(=O)OCCO)C2)C1 1780159086 VLIWYTXYLVLLMD-XMMPIXPASA-N 497.508 -0.409 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)C2)C1 1781938004 WWZQZFRBSOHXOG-OAQYLSRUSA-N 455.232 -0.263 50 20 JBGD CSCC[C@H](O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cnccc1C(=O)NN)C2 1782228057 OTLLOOOGOZNBAJ-CSODHUTKSA-N 465.576 -0.073 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](O)Cc3ccccc3)C2)C1 1783341614 JAYDNAGONVEYFM-WMZHIEFXSA-N 453.499 -0.268 50 20 JBGD C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1783818311 NEAMHLMDVNCVBH-CBVHJVASSA-N 475.351 -0.127 50 20 JBGD CC(C)(C)OC(=O)NCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786986634 SJQCEIQBZXSGNE-WDSOQIARSA-N 475.351 -0.126 50 20 JBGD O=C(CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)Nc1ccc(F)cc1 1799034173 WBZKJILOIIOAOQ-MFKICJERSA-N 469.278 -0.263 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CSc1nc[nH]n1 1801300625 XVBMVTIMOJOKHB-NNGSTNBRSA-N 460.520 -0.380 50 20 JBGD CC(=O)Nc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)cc1 1801783431 VLSIMPMTYANOMW-RMFSNUHRSA-N 451.288 -0.158 50 20 JBGD CN1N=C(C(=O)NC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)CCC1=O 1804120231 RPVGQMMCLOCBQZ-LAUBAEHRSA-N 463.303 -0.311 50 20 JBGD O=C(NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807375950 WMYSFFRQNRKVKR-UZLBHIALSA-N 498.395 -0.059 50 20 JBGD CCOC(=O)N[C@H](O)C(=O)NC[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1 1810093818 IKBVKUOZLHAUOE-ZAAXVRCTSA-N 464.523 -0.475 50 20 JBGD NNC(=O)c1ccncc1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@H]1CCC(=O)NC1)CC2 1819790057 DQYQSUPFMMQKCI-QWRGUYRKSA-N 457.516 -0.106 50 20 JBGD 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Cc1cn(CC(=O)N[C@H]2CCc3nc(NC(=O)c4ccc(B(O)O)cc4)sc3C2)c(=O)nc1O 1815347604 GKSAKWSHTUXNIK-AWEZNQCLSA-N 483.315 -0.680 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H](O)N1CCOCC1)CC2 1817281230 BHEFIPPQFLFFSK-FJGYPSPMSA-N 489.558 -0.160 50 20 JBGD CC(=O)OC[C@H](OC(C)=O)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cccc(B(O)O)c1)CC2 1819855463 KJFJPQVTSHQISG-WBVHZDCISA-N 489.315 -0.457 50 20 JBGD O=C(c1cc(=O)n2[nH]nnc2n1)N1CCC([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827052844 JKSQXYMXVBKRDM-GOSISDBHSA-N 479.306 -0.961 50 20 JBGD Nc1n[nH]c(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(B(O)O)c3)CC2)n1 1827057569 JPDNBJPSQVHZKJ-SFHVURJKSA-N 454.340 -0.067 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnc(Cl)nc1)CCO2 1829523221 RMKBAAQXZWPULU-IBGZPJMESA-N 454.915 -0.427 50 20 JBGD CC[C@H](C)[C@@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C2)C1 1831508330 CZUMSRLDQCAGMK-QXHAIFKUSA-N 463.535 -0.016 50 20 JBGD CCNC(=O)N[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1 1835711854 STLIDXRZOHEHFH-INIZCTEOSA-N 467.615 -0.361 50 20 JBGD CC(C)N[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1)C(C)C 1835901887 XTVZSLGNMBHTCG-RBBKRZOGSA-N 455.600 -0.162 50 20 JBGD Cc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)cc1 1835929472 QKYYGNOTGDTPLS-DEOSSOPVSA-N 452.316 -0.012 50 20 JBGD Cc1nc(F)ccc1C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1838268292 ASUANUTZRJGSAP-OAQYLSRUSA-N 451.499 -0.028 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccncc3)CCO2)C1 1839060433 RJRQZQDAYDITNJ-QFIPXVFZSA-N 454.487 -0.607 50 20 JBGD O=C(COc1ccc(O)nn1)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1839670157 TVSJBFPLFLCXAC-GDBMZVCRSA-N 463.260 -0.292 50 20 JBGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)CCO2)C1 1839718984 XRAZEWKHCBUQAL-AUUYWEPGSA-N 472.882 -0.533 50 20 JBGD CC[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)C[C@@H]3NC(=O)NC3=O)C2)C1 1839962859 TXMVCIJTXIJYCQ-PRXAMGSTSA-N 461.313 -0.786 50 20 JBGD C[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(=O)n4[nH]cnc4n3)C2)C1 1840032246 SIPRYYVPAKLNKU-DIFFPNOSSA-N 469.296 -0.729 50 20 JBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NCc3cccc(S(N)(=O)=O)c3)nc2)CC1 916623967 JMVHHTMRICNDNO-UHFFFAOYSA-N 483.576 -0.509 50 20 JBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2)c1cnn2cccnc12 1778958334 ILTQJKRYTJGTMU-AUSIDOKSSA-N 463.303 -0.150 50 20 JBGD C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1785574510 LTLHVRYEBPWBFK-CYFREDJKSA-N 485.346 -0.274 50 20 JBGD CC(C)(C)OC(=O)NC[C@H](O)CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21 1789935881 UBOWKICDQKOGSI-NPJQDHAYSA-N 463.959 -0.159 50 20 JBGD CN(CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ncnn1C)NC(=O)NCc1ccccc1 1794571694 LKRYWEKIQBBXPG-IZZQQSIFSA-N 470.534 -0.636 50 20 JBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1n[nH]c2c1CS(=O)(=O)C2)c1cccc(B(O)O)c1 1796384156 QYYISDQEHHBXCB-QDMKHBRRSA-N 458.305 -0.917 50 20 JBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(-n2ccnc2)ccn1 1798728960 RBOYACJOCAYFEQ-VPTLXERWSA-N 455.519 -0.157 50 20 JBGD C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1802127485 PZNDFSUXBNUEAR-PIKOESSRSA-N 485.346 -0.514 50 20 JBGD NC(=O)c1ncccc1C(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807360698 CSVONHZPENOJJA-UTKZUKDTSA-N 473.298 -0.111 50 20 JBGD O=C(Cn1ccncc1=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827060409 HNQCIJJKYOOFLS-FQEVSTJZSA-N 452.320 -0.143 50 20 JBGD CC[C@@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)CN(C)NC(=O)NCc3ccccc3)C2)C1 1830524607 GKLRJFTYUHBHBO-XXBNENTESA-N 477.562 -0.440 50 20 JBGD O=C(c1cccc(N2CCOCC2)n1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830728066 OGGUZLYCBUNROJ-DYESRHJHSA-N 468.938 -0.412 50 20 JBGD Cc1cc(NC(=O)CC(=O)NC2CCN(C3CCN(C(=O)c4ccc(B(O)O)cc4)CC3)CC2)no1 1835107637 JGQGNJUXZMXNOX-UHFFFAOYSA-N 497.361 -0.123 50 20 JBGD O=C(C/N=C/c1ccco1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835930228 DEFGPKCCGBQUHG-XUHCNCODSA-N 455.276 -0.852 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)[C@H](O)Cc3ccccc3)C2)C1 1835932193 SKTPCXNHSMVFQJ-ZJSXRUAMSA-N 468.315 -0.960 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)c1nccc3occc13)CCO2 1836290944 ZVBRCGRDAJCMRS-QHCPKHFHSA-N 465.271 -0.109 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3cccnc3)C2)C1 1837456171 DMJAAPCEPKMBON-JOCHJYFZSA-N 470.486 -0.771 50 20 JBGD COC[C@H](NC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@](C)(Cl)CCl)C2)C1 1837733519 AYUOAFKDCDKWOH-BMGDILEWSA-N 454.351 -0.170 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(CO)on1)CCO2 1838802447 ZSMCTJZMKGGADM-VSIOZEBNSA-N 474.474 -0.629 50 20 JBGD COc1ccnc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)c1OC 1838840405 MNEBLKMGXZGUNY-QHCPKHFHSA-N 485.302 -0.838 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)c1cc3cccnc3nc1O)CCO2 1839512575 FKALTXUTEIVORJ-DEOSSOPVSA-N 492.297 -0.601 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnc3ccc(F)cn13)CCO2 1839592008 IOQLGAUMCTXDRQ-HSZRJFAPSA-N 497.487 -0.144 50 20 JBGD O=C(C(O)O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](Br)Cc1ccccc1)CCO2 1839801525 OUOCAVHEJLBEDO-DNVCBOLYSA-N 457.321 -0.240 50 20 JBGD Cc1csc(CC(=O)NNC(=O)COC(=O)CCNS(=O)(=O)c2cn(C)c(C)n2)n1 110956373 NMFRGDXHPUOCOK-UHFFFAOYSA-N 458.522 -0.905 50 20 JBGD O=C(NNC(=O)[C@H]1CCCCN1S(=O)(=O)c1cccs1)N[C@H]1CCS(=O)(=O)C1 919884144 DYDLMGGLBCEHSQ-NWDGAFQWSA-N 450.564 -0.191 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)c3ccc(-n4cccn4)nc3)C2)C1 1779688681 JLFTWZMBFIYCJC-QHCPKHFHSA-N 461.287 -0.296 50 20 JBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2)c1cc(=O)nc2cccnn12 1780039070 WUXKGPJFXGUKOG-NTKDMRAZSA-N 491.313 -0.789 50 20 JBGD COCCOCCOCCC(=O)N1CCO[C@@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783937132 PRIJHXDTLPCEKC-OAQYLSRUSA-N 458.556 -0.741 50 20 JBGD C[C@H](NC(=O)c1ccccc1)C(=O)N1CC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1785555961 FXHSOOKDVJFDMU-BXKMTCNYSA-N 465.315 -0.372 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3c(=O)n(C)c4ccccc43)[C@H]2C1 1788140909 IEEZZZQOSTWDLM-ZWOKBUDYSA-N 486.573 -0.307 50 20 JBGD C[S@](=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)CCl 1792975586 VYKDBZABALZARO-WNLPPHIUSA-N 496.026 -0.162 50 20 JBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCOCCNC(=O)OC(C)(C)C 1793221165 YLPNSJRJLNMBKE-UPHUGPLXSA-N 499.609 -0.120 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@H]1NC(=O)NC1=O)C2 1793878253 JWEUKKIYRVWQEX-GEJOOGBSSA-N 487.941 -0.694 50 20 JBGD COc1cc(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)ccn1 1793900607 BBZFDJOPENVZBH-OPMZPASUSA-N 453.304 -0.394 50 20 JBGD Cc1nc2ccc(F)cn2c1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1799954628 DRHHUHWLXSYVCN-CWPLJXCYSA-N 466.278 -0.021 50 20 JBGD C[C@H](NC(=O)c1ccccn1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C 1801013201 WWJJDTFPUPYMTE-MFCZKXCZSA-N 460.535 -0.838 50 20 JBGD CCS(=O)(=O)N[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1803508725 KKWSMOCZNBPTKC-BPAFIMBUSA-N 488.375 -0.591 50 20 JBGD CN1CCN(CC(=O)N2CC[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)CC1 1807376668 VULHRGLIDAYFNK-NZQKXSOJSA-N 465.363 -0.672 50 20 JBGD CC(=O)NCCC(=O)N1CC[C@@H](CNC(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1810305876 PGNJEECGISFLKX-JXFKEZNVSA-N 453.503 -0.074 50 20 JBGD O=C(CNCP(=O)(O)O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827054973 QYKGFZPVXZXUFJ-GOSISDBHSA-N 467.268 -0.676 50 20 JBGD Cc1ccc(S(=O)(=O)CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)cc1 1830724257 XBQJAHFMIFLAIM-PXNSSMCTSA-N 474.963 -0.175 50 20 JBGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=O)c3cccnc3)CCO2)C1 1832731313 DYTIKADSGRVJDZ-OXJNMPFZSA-N 454.911 -0.478 50 20 JBGD Cc1nc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)cs1 1832972142 BAQVREMXSBOZNM-HXUWFJFHSA-N 453.565 -0.177 50 20 JBGD Cc1c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)cnn1C 1834425010 SGMAOTAQUATZRA-NRFANRHFSA-N 457.491 -0.889 50 20 JBGD CC(=O)N(C)[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1835122115 PAYCXFGABXPNBW-INIZCTEOSA-N 458.368 -0.582 50 20 JBGD CC(=O)Nc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)cc1 1835941508 MVEBMWVAOHCHFR-DEOSSOPVSA-N 481.314 -0.291 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cnnn3)CCO2)C1 1836143482 NDTQKOJBQQMVFB-LIRRHRJNSA-N 487.945 -0.738 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c[nH]nc4c3)C2)C1 1837457416 ABWZSGUSXBHROW-HSZRJFAPSA-N 479.497 -0.055 50 20 JBGD CN1CCN(C2(C(=O)N3CCC(OC4CCN(C(=O)c5cccc(B(O)O)c5)CC4)CC3)CC2)CC1 1837921361 DKZRVEHXSLFGHV-UHFFFAOYSA-N 498.433 -0.241 50 20 JBGD Cc1nc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)sc1C 1838406956 JSBRQBJYIVFHFJ-NRFANRHFSA-N 459.333 -0.176 50 20 JBGD CC(C)c1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)on1 1838774414 LPMHYNBFHUYLAB-QFIPXVFZSA-N 457.292 -0.138 50 20 JBGD CCOCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CN(C)NC(=O)NCc1ccccc1)CCO2 1839054169 JJLZGAPTEIFJTB-QHCPKHFHSA-N 477.562 -0.175 50 20 JBGD CC[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(=O)n4[nH]cnc4n3)C2)C1 1839964339 OVQRUNYXGFXQNA-SGTLLEGYSA-N 483.323 -0.339 50 20 JBGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc4ncccn4n3)C2)C1 1840032862 MHRCJIKXFZMTTB-YVEFUNNKSA-N 453.297 -0.022 50 20 JBGD C[C@](O)(CC(=O)O)CC(=O)N1CCO[C@@]2(COCCN(C(=O)CCBr)C2)C1 1840178668 OOQRQKZDUJZOLI-IAGOWNOFSA-N 451.314 -0.156 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@](C)(O)C(F)(F)F)C2)C1 1840182318 GTFGAIZZNBLTKQ-IRXDYDNUSA-N 454.446 -0.871 50 20 JBGD O=C(CCCn1cccc1)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1840460335 JFTFNXOPFQGATF-HSZRJFAPSA-N 455.320 -0.282 50 20 JBGD Cc1cn(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)Br)C3)C2)c(=O)nc1O 1840808458 YRKQCCODHKXGKX-SCLBCKFNSA-N 473.324 -0.503 50 20 JBGD Cn1nc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)c2ccccc2c1=O 906486635 JEVLUFMGBKUGFU-UHFFFAOYSA-N 484.494 -0.871 50 20 JBGD Cn1c(=O)ccn(CC(=O)NNC(=O)c2ccc(Cn3nnc(-c4ccccc4)n3)cc2)c1=O 915063486 OXTOJVFYMMGTST-UHFFFAOYSA-N 460.454 -0.290 50 20 JBGD CN1CC(=O)N(CCCC(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1=O 921234261 PAGYGARCLNPNCF-UHFFFAOYSA-N 495.558 -0.538 50 20 JBGD CC(C)(C)OC(=O)N1CC(C(=O)N2CC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)C1 1778124193 AYGCBDWHWXYDGW-HSZRJFAPSA-N 473.335 -0.323 50 20 JBGD O=C1Nc2c(C(=O)NC[C@@]34CCCO[C@@H]3CCN(C(=O)c3ccc(B(O)O)cc3)C4)cccc2C1=O 1779150141 DLYGMNUSKNOMFF-KBMIEXCESA-N 491.309 -0.058 50 20 JBGD COC(=O)[C@H]1CC[C@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)C1 1786983303 LUZCGWNFZKRHTR-TXTPUJOMSA-N 458.320 -0.451 50 20 JBGD Cn1nc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)c2c1CCC2 1788019278 BDUXSECPTBMDML-QSFXBCCZSA-N 452.320 -0.504 50 20 JBGD CC(C)(C)OC(=O)N1CC(=O)C[C@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)CCl 1792975454 SDYRARINPUTCCM-URLPEUOOSA-N 459.927 -0.246 50 20 JBGD CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](O)CCl)C1 1792978481 DDKGJDIVBJTYOF-GTDBDLECSA-N 461.943 -0.597 50 20 JBGD CC(C)(C)OC(=O)N1CCn2nnc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)[C@@H](O)CCl)C4)c2C1 1797315625 MFPUZJVSHXDMRO-XRGAULLZSA-N 498.968 -0.168 50 20 JBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/C(=O)NCc1ccco1)C2 1801011739 ZVRBPESHNUIHBQ-KZQWXSAUSA-N 461.519 -0.585 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@H](CNC(=O)[C@@H]2CNC(=O)O2)[C@H]1c1cccnc1 1803645640 HLSYXXSSYCFASK-RRQGHBQHSA-N 453.459 -0.492 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1cnc3ccccn13)CCO2 1830666147 DIFMMILNBUFZLN-HSZRJFAPSA-N 472.546 -0.294 50 20 JBGD O=C(CCBr)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1834822586 XCGISCGIRBHZOC-SFHVURJKSA-N 455.114 -0.779 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1c(C)noc1N)CCO2 1835624960 KQGIQYUNXDIFBF-JHXRPTDYSA-N 473.490 -0.231 50 20 JBGD COc1cc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)ccn1 1835934411 ZBSWBFNOSVIXLZ-DEOSSOPVSA-N 483.330 -0.527 50 20 JBGD Cn1cc2cc(C(=O)N3CCOC[C@]4(C3)CN(C(=O)c3cccc(B(O)O)c3)CCO4)ccc2n1 1835939049 CIMIFGPKVQNGSV-DEOSSOPVSA-N 478.314 -0.363 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)[C@@H]3Cc4ccccc4N3)C2)C1 1835939899 NEJXEADKRLEBGG-XUZZJYLKSA-N 465.315 -0.527 50 20 JBGD CC(=O)N1CCN(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](F)Br)C3)C2)CC1 1836767199 FPTJLXIGEHMUBV-SJLPKXTDSA-N 479.347 -0.703 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1ON=C(c3ccccc3)O1)CCO2 1837293257 SYHCPDOVDNEISE-ZEQRLZLVSA-N 495.297 -0.829 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccccc3)C2)C1 1837456490 IUARMZKXTRLBOA-QHCPKHFHSA-N 469.498 -0.166 50 20 JBGD CC(C)(C)OC(=O)NCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnccc1C(=O)NN)CCO2 1837460387 FJTZWVUQZFQJHY-JOCHJYFZSA-N 492.533 -0.720 50 20 JBGD COC(=O)C1(C(=O)N2CCC(OC3CCN(C(=O)c4ccc(B(O)O)cc4)CC3)CC2)CC1 1837920082 JUYFCMMWACAPFB-UHFFFAOYSA-N 458.320 -0.068 50 20 JBGD CN(CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@](C)(Cl)CCl)CCO2)C(=O)C(=O)O 1839155215 OMNFLJQMHJMISG-IRXDYDNUSA-N 454.307 -0.778 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)C1(Br)CC1)CCO2 1839206946 FLOCBDURSMYBLP-GOSISDBHSA-N 467.125 -0.636 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)CCO2 1839414960 JEZROGQOODUBGL-OAQYLSRUSA-N 479.490 -0.257 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)Cc1ccccc1)CCO2 1839959532 NCBRHPZZZFOHJA-RDPSFJRHSA-N 483.525 -0.641 50 20 JBGD C[C@@H](Cn1cccn1)C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840183479 GUFCCQWFHHKEHE-UWJYYQICSA-N 450.540 -0.651 50 20 JBGD CC(C)(C)OC(=O)N1[C@H]2C[C@@H](C[C@@H]2O)[C@H]1C(=O)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843014814 FAOBQATVWMBWOY-LEAZDLGRSA-N 499.373 -0.058 50 20 JBGD CCS(=O)(=O)N[C@@H](CCSC)C(=O)NNC(=O)c1csc(N2CCOCC2)n1 729257889 RFGYUFSFXFYTFJ-NSHDSACASA-N 451.596 -0.198 50 20 JBGD C[C@@H](NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)[C@@H](C)N1CCOCC1 729623389 KSPQGDYYUPHQCJ-HZPDHXFCSA-N 469.564 -0.239 50 20 JBGD O=C(NCCCN1C(=O)CNC1=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 731118874 XZLYSPFVBZGECA-UHFFFAOYSA-N 466.520 -0.253 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)c3ccc4nonc4c3)CCO2)C1 1779030704 UZNQGFGMMRUCIW-NRFANRHFSA-N 451.443 -0.021 50 20 JBGD CCOc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)nn1 1779032691 RSQRADYIVDNKET-OAQYLSRUSA-N 455.475 -0.369 50 20 JBGD C[C@@H](Nc1cnccn1)C(=O)N1CC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1779058972 YOSKYUURBVAZKA-SZNDQCEHSA-N 454.491 -0.581 50 20 JBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN(CCO)CCO)C2)[C@@H](F)Br 1780776630 IXSMNHYMSFZZLG-FRFSOERESA-N 454.337 -0.523 50 20 JBGD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1785508719 KJFAUKBMWFOTTQ-WAWJGKILSA-N 468.271 -0.360 50 20 JBGD CC(C)(C)OC(=O)N1CCN(CC(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)C(=O)C1 1785667129 NRTDAHXMIPLWRS-BTYIYWSLSA-N 488.969 -0.505 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cn4ccsc4n3)C[C@@H]21)c1cccc(B(O)O)c1 1786984160 NOMUGUZHUHBGGW-ZVZYQTTQSA-N 454.317 -0.017 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(C(=O)O)ncn3)C[C@@H]21 1787508943 UOEYDURZLFLLLD-GXLLAFGTSA-N 483.485 -0.098 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnc4c(c3)CCNCC4)[C@H]2C1 1790618354 GIYHEBXGMQUCBC-BUKVSMQUSA-N 493.568 -0.325 50 20 JBGD CSCC[C@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C(C)=N/NC(=O)c1ccc[nH]1 1796445604 FRHGRLAEKATVET-XHPRPZMGSA-N 451.549 -0.176 50 20 JBGD C[C@@H]1CCc2c(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)c3cnccc3C(=O)NN)n[nH]c21 1797750949 WMKKVQKEZNLZIS-ZIVKBKJYSA-N 453.503 -0.025 50 20 JBGD C[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN(C)NC(=O)NCc1ccccc1)n1ccnn1 1799097624 QSTVHXQQMJIFRD-ROPHOZQPSA-N 484.561 -0.225 50 20 JBGD CC(=O)N1CCN(CC(=O)NC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)[C@H]2c2cccnc2)CC1 1809678549 NPCNGUPYYAUHAI-RDPSFJRHSA-N 487.605 -0.376 50 20 JBGD CN(C)NC(=O)CCC(=O)N[C@H]1CCc2nc(NC(=O)CS(=O)(=O)N3CCCC3)sc2C1 1817276439 VQANJJAVOJRGJY-ZDUSSCGKSA-N 486.620 -0.146 50 20 JBGD O=C(CN1CCS(=O)(=O)CC1)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](O)CCl)CC1 1824178556 IUBDKVUAFJRIQY-IRXDYDNUSA-N 450.001 -0.064 50 20 JBGD O=C(CN1CCS(=O)(=O)CC1)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827050372 PIXIEQQBHDHSFM-NRFANRHFSA-N 491.419 -0.670 50 20 JBGD C[C@@H](NNc1ccccc1)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1829815300 XCLWCNXIAFYGPJ-JPYJTQIMSA-N 476.578 -0.179 50 20 JBGD Cc1nnc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)s1 1833018132 QDGYEDMRCUDPHR-NRFANRHFSA-N 474.348 -0.771 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(CN(C(=O)C(=O)c3ccccc3)CCO2)C1 1834705676 XNJHFLIFIQNHEL-HSZRJFAPSA-N 467.482 -0.362 50 20 JBGD C[C@H](C(=O)N1CCC(N2CCC(NC(=O)c3cccc(B(O)O)c3)CC2)CC1)N1C[C@@H]2C[C@H]2C1 1834801005 GEXKHHRNUTYLNI-HOJAQTOUSA-N 468.407 -0.108 50 20 JBGD O=C(CCc1cncnc1)NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1834842550 VRUJJEMDSNXWKK-UHFFFAOYSA-N 465.363 -0.026 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1)c1nc2ccccn2n1 1834968823 JDWJFDCXHHRXDG-UHFFFAOYSA-N 476.346 -0.092 50 20 JBGD O=C(CCN1CCOC1=O)NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1835452353 NAGYEYGHXUXFDI-UHFFFAOYSA-N 472.351 -0.606 50 20 JBGD Cc1c(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)ccc2c1OCCO2 1835928629 TUPASWPLJIUETR-RUZDIDTESA-N 496.325 -0.170 50 20 JBGD CN1CCc2cc(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)c3ccc(B(O)O)cc3)CCO4)ccc21 1835930507 KQZJSLNTYIRFDW-RUZDIDTESA-N 479.342 -0.258 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)c3nc4ccccc4[nH]3)C2)C1 1835937444 XFYYNTQUJXYHDF-QHCPKHFHSA-N 464.287 -0.374 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)N3CCCC3)C2)C1 1837456145 JNDJQJWAWSCJAI-HSZRJFAPSA-N 488.545 -0.842 50 20 JBGD CNC(=S)NCCC(=O)N1CCO[C@]2(COCCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C2)C1 1837464741 MPYANKFPHZRIQD-JAMLUQCHSA-N 493.590 -0.939 50 20 JBGD COc1ccc([N+](=O)[O-])c(C(=O)N2CCOC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)n1 1840184483 PNFHSGWFRVPUMZ-NRFANRHFSA-N 494.505 -0.559 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3c4c(nn3C)CCC4)C2)C1 1840184894 FCOBUGIELWCRJF-QFIPXVFZSA-N 462.551 -0.648 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(-c4cccnc4)[nH]n3)C2)C1 1840184917 CFWRHNLQNIQUPY-QHCPKHFHSA-N 485.545 -0.085 50 20 JBGD Cn1ncc(I)c1C(=O)N1CCCC12CN(C(=O)c1ccc(B(O)O)cc1)C2 1843602979 DILMXMDMBQWDBO-UHFFFAOYSA-N 494.098 -0.165 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN1C(=O)CNC1=O 1848034425 RODVNCHYQASVCS-GJZGRUSLSA-N 459.415 -0.113 50 20 JBGD CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 18071811 HZWQRLZVVUCSBC-ZDUSSCGKSA-N 458.475 -0.163 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)c3cc([N+](=O)[O-])cc4c3OCC4)C2)C1 1780091805 PVAQVBDXKXAYEJ-QHCPKHFHSA-N 481.270 -0.033 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCN3CCOCC3)[C@H]2C1 1786747611 QTKRMXPAIGDJDB-RWRPXTCXSA-N 474.562 -0.178 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)[C@H]1ON=C(c2ccccc2)O1 1788520021 FGEYILWEGPNKIA-TYZOXTDXSA-N 479.298 -0.306 50 20 JBGD COC[C@@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)[C@H]2C1 1792272009 DVAQUWGIQFMBME-QMHWVQJVSA-N 490.985 -0.011 50 20 JBGD CS(=O)(=O)c1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)cc1 1795734789 QKTMNPSWEICRRS-OPMZPASUSA-N 486.355 -0.784 50 20 JBGD COC[C@H](Cl)C(=O)N1CC[C@@H](CNC(=O)c2cc(=O)n3[nH]nnc3n2)[C@@H]1c1cccnc1 1807948254 APBQZBXHSKCSNX-XEZPLFJOSA-N 460.882 -0.219 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1CCN(C(=O)CN(CCO)CCO)[C@@H]1c1cccnc1 1808417284 XFAAOSFEIVJRIJ-DXNGAEDLSA-N 499.572 -0.492 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@@H](CNC(=O)CNC(N)=O)[C@@H]1c1cccnc1 1814224136 FMPRQAJRIDUJAX-AXFCDHHRSA-N 454.491 -0.110 50 20 JBGD NNC(=O)c1ccncc1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1c[nH]c(=O)cn1)CC2 1819797861 NHMVCNYYMVGKDU-SECBINFHSA-N 454.472 -0.236 50 20 JBGD COc1cccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)n1 1832772814 YHVOUTSSVMGYQF-JOCHJYFZSA-N 463.535 -0.538 50 20 JBGD C#CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3cnccc3C(=O)NN)CC2)CC1 1835734454 JVCBWQVYPFNHOA-INIZCTEOSA-N 456.547 -0.091 50 20 JBGD Cc1nc[nH]c1CSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835930624 QJYFMHUHINYNJP-JOCHJYFZSA-N 488.375 -0.599 50 20 JBGD N#Cc1cc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)ccc1F 1835930979 BOFTYOZSTBASRW-DEOSSOPVSA-N 481.289 -0.310 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c(C4CC4)c3F)C2)C1 1835935431 SRRQDFCOUWYXRX-JOCHJYFZSA-N 472.282 -0.510 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)c3cncc4cnccc34)C2)C1 1835938552 YDANSZWGOIUFBL-XMMPIXPASA-N 476.298 -0.307 50 20 JBGD CN1CCC(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)CC1 1837456511 NREKEPYRWLTNHZ-HSZRJFAPSA-N 474.562 -0.513 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cncc(O)c3)C2)C1 1837460359 DAIWNBVYWSJIHW-NRFANRHFSA-N 456.459 -0.831 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(-c3cccnc3)[nH]n1)CCO2 1838031069 IRNQTNWFJNAIJD-QHCPKHFHSA-N 485.545 -0.085 50 20 JBGD C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](F)Br)CCO2)C1)N1CCN(C)CC1 1839202113 VBUCOLIDMPQSIN-VKJFTORMSA-N 465.364 -0.231 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)CC34CCCN3CCC4)C2)C1 1840185392 PXWXJBQRRMQLIZ-QHCPKHFHSA-N 465.595 -0.166 50 20 JBGD O=C(CCc1c[nH]c2ncccc12)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1840870050 HZBSUJKLVKCVPP-VWLOTQADSA-N 492.341 -0.055 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(CN(C(=O)CCN3CCCC3)CCO2)C1 1840939588 KUPOFWSRGDJIOJ-JOCHJYFZSA-N 460.535 -0.759 50 20 JBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@H]2CCCO2)c1 729275287 MYYSANSFYXWEOP-ZYHUDNBSSA-N 482.968 -0.504 50 20 JBGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNS(=O)(=O)c2n[nH]cc2C(=O)OC)c1 912520457 ABBNEMLITNJWKG-UHFFFAOYSA-N 459.506 -0.150 50 20 JBGD COc1cc2c(cc1OC)[C@H](CC(=O)NNS(=O)(=O)c1cnn(C)c1)N(S(C)(=O)=O)CC2 917728316 WNVFZRSPJKVSDE-HNNXBMFYSA-N 487.560 -0.304 50 20 JBGD COCCn1cnc2c1c(=O)n(CC(=O)NNC(=O)Cn1cc(C)cn1)c(=O)n2Cc1ccccc1 920444210 BRFONZTVKROVRJ-UHFFFAOYSA-N 494.512 -0.593 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cc1ncccn1)C2 1779371259 XTXUFCYFXSINLC-VGOFRKELSA-N 453.503 -0.155 50 20 JBGD CN(CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CNC(=O)O1)CCO2)NC(=O)NCc1ccccc1 1780969440 MBSSXEVYFRITTA-JTSKRJEESA-N 474.518 -0.729 50 20 JBGD O=C(Cc1ccc2c(c1)CCO2)N1CC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1783418426 WTXUIOUHPJAGNV-DEOSSOPVSA-N 450.300 -0.013 50 20 JBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1COCCN1C(=O)OC(C)(C)C 1793603589 XNQVODNDEUGGOE-AXVVYFOYSA-N 497.593 -0.415 50 20 JBGD O=C(NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807375945 WMYSFFRQNRKVKR-OXQOHEQNSA-N 498.395 -0.059 50 20 JBGD O=C(Nc1cc([C@H]2CCCCN2C(=O)COc2ccc(O)nn2)[nH]n1)c1cccc(B(O)O)c1 1817477324 SMWGNWNQLIZCID-MRXNPFEDSA-N 466.263 -0.030 50 20 JBGD O=C(CCNC(=O)c1ccc[nH]1)NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1833798978 GSPKCYSFSIDQIO-UHFFFAOYSA-N 495.389 -0.300 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC1CCN(C2CCN(C(=O)CNC(=O)c3ccco3)CC2)CC1 1835736740 GKXLOZGIUDKFRW-UHFFFAOYSA-N 497.556 -0.107 50 20 JBGD CCCc1onc(C)c1C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835928127 FKWADPUCUBTNAU-HSZRJFAPSA-N 471.319 -0.001 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)c3[nH]cc4c3CCC4)C2)C1 1835931333 MVCNSMGCIXBHHK-HSZRJFAPSA-N 453.304 -0.433 50 20 JBGD CCn1nc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)cc1C 1838149941 YROFTDJITZKSHY-QFIPXVFZSA-N 456.308 -0.725 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc4c(c3)CCO4)CCO2)C1 1839998959 ISNNGJRQYKDMRB-VWLOTQADSA-N 495.536 -0.067 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3c[nH]c4nccc-4c3)C2)C1 1840183873 FQINNUUKZIRVQH-QFIPXVFZSA-N 458.519 -0.043 50 20 JBGD Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)c(O)c1 1840667797 CUEBDKKAOCMNGC-HSZRJFAPSA-N 454.288 -0.236 50 20 JBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1ccc(Cl)c(S(=O)(=O)NC[C@@H]2CCCO2)c1 818853376 JNQCDBJEMUFBJZ-STQMWFEESA-N 479.964 -0.007 50 20 JBGD Cn1c(C=NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)nc2c1c(O)nc(=O)n2C 920357842 HZVMELSWXRQUSF-UHFFFAOYSA-N 459.488 -0.079 50 20 JBGD CCN1C(=O)C(=CNNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)C(=O)N(CC)C1=S 920976564 XMZJHRSSIMECBF-UHFFFAOYSA-N 495.583 -0.179 50 20 JBGD Cc1ccc(=O)n(C(C)(C)C(=O)N2CCO[C@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)n1 1779032338 NMTQNKPBZFTRNY-QHCPKHFHSA-N 483.529 -0.571 50 20 JBGD CC(=O)N1CCN(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CO[Si](C)(C)C)C[C@@H]32)CC1 1788247323 OSKNRWZTVWJCOU-FHWLQOOXSA-N 454.644 -0.018 50 20 JBGD CS(=O)(=O)c1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc(B(O)O)c2)C3)nc1 1794747074 DIJLBXIABKIGQJ-BJWYYQGGSA-N 457.317 -0.270 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2)[C@@H]1[C@@H](O)CCN1C(=O)OCc1ccccc1 1800823080 UWKXHNKRCCCNMK-ROMHJBHXSA-N 495.960 -0.052 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1ccc(N2C(=O)C=CC2=O)cc1 1801866697 GFDKCIXDYMPAQN-FEJSZKPUSA-N 489.293 -0.687 50 20 JBGD CCS(=O)(=O)N[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1 1817474431 RDYAAOUDACNDHI-SUMWQHHRSA-N 477.352 -0.277 50 20 JBGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)CN1CCS(=O)(=O)CC1)CC2 1826083436 NLFSVFDHZDAVFP-CYBMUJFWSA-N 486.620 -0.842 50 20 JBGD O=C1NCCn2nc(C(=O)N3CCO[C@]4(COCCN(C(=O)CCBr)C4)C3)cc21 1834559877 ULHFOAOXOOQTAY-SFHVURJKSA-N 470.324 -0.519 50 20 JBGD C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)CCBr)CCO2)C1)N1CCN(C)CC1 1834824009 QUJNAJQTVWGJRD-VQIMIIECSA-N 461.401 -0.136 50 20 JBGD O=C(COc1ccccc1)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1834950760 BZIDUBBQQOKBLK-HSZRJFAPSA-N 454.288 -0.485 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)c3cc(-c4ccncc4)[nH]n3)C2)C1 1835931281 KZBAVBCIYRPOPY-DEOSSOPVSA-N 491.313 -0.465 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)c3cc4ncccc4[nH]3)C2)C1 1835932159 QSBJSMXLOFOLQY-QHCPKHFHSA-N 464.287 -0.374 50 20 JBGD COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835940192 YVPBNNAJQWMAPL-DCLXLUIPSA-N 486.330 -0.808 50 20 JBGD Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)n(-c2cccc(=O)n2C)n1 1836259148 CYPKDSLBADMJDE-VGSWGCGISA-N 493.948 -0.451 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc3c1NC(=O)C3=O)CCO2 1837139815 LPWPRAXHJRLFAI-QHCPKHFHSA-N 487.513 -0.736 50 20 JBGD O=C1Nc2ccccc2/C1=C/C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1837322851 NTIUCGBUAUVPPW-JUKZXFSCSA-N 491.309 -0.528 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cn[nH]c3)C2)C1 1837457168 XFOKDYRSZOTNBN-NRFANRHFSA-N 457.491 -0.889 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CNc4ccccc43)C2)C1 1837457697 NAOJSGBZZDWUEL-CYFREDJKSA-N 480.525 -0.036 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)ccc3F)C2)C1 1837460046 RCJKTMIBQSDWCX-QFIPXVFZSA-N 473.461 -0.086 50 20 JBGD N#Cc1ccc(F)c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)c1 1839420410 HTISKFHMHALODA-QHCPKHFHSA-N 467.262 -0.239 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc3ccnn13)CCO2 1839499534 JLPGPJPFSIZXDN-QFIPXVFZSA-N 458.519 -0.223 50 20 JBGD Cc1ccc(C(=O)C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)cc1 1840098833 ZWQLMTIBCBKZJY-XMMPIXPASA-N 466.299 -0.372 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(-n4cncn4)c3)C2)C1 1840185696 VFEOPXJXNQBMMI-QHCPKHFHSA-N 485.545 -0.290 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cnn(C)c3)CCO2)C1 1840464207 DQAPBBOYXZIUCU-NJRDNMGOSA-N 471.518 -0.447 50 20 JBGD CS(=O)(=O)N1CCC(C(=O)N2CCCC23CN(C(=O)c2cnccc2C(=O)NN)C3)CC1 1843837881 QSRVNWRIEAQVAG-UHFFFAOYSA-N 464.548 -0.826 50 20 JBGD CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 728385201 PWIUZUSLOOGHTM-DYVFJYSZSA-N 489.572 -0.267 50 20 JBGD Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1 788143374 RQPROMQNKUJCMM-KRWDZBQOSA-N 463.468 -0.196 50 20 JBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1sccc1S(=O)(=O)N1CCSCC1 921276276 NUUDIDOURKNCDG-JTQLQIEISA-N 453.589 -0.319 50 20 JBGD C[C@@H](Br)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 1794251071 GEONELNFMYRNQT-FVCCEPFGSA-N 481.351 -0.145 50 20 JBGD Cn1c(=O)n(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc(B(O)O)c2)c2ccccc21 1796191513 SFAHVQCSNFRBOL-REPLKXPHSA-N 462.315 -0.028 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=O)c1ccco1)C2 1796439982 AOQSYAMQQMVIRQ-DHMDNZFNSA-N 470.486 -0.267 50 20 JBGD CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)Br 1800762537 DAMNTTAEGULQMA-GIRXQMHSSA-N 456.341 -0.170 50 20 JBGD CCOC(=O)N[C@@H](O)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cnccc2C(=O)NN)CC1 1828761724 OHLPVJSRKITQEZ-HKUYNNGSSA-N 476.534 -0.017 50 20 JBGD O=C(CCS(=O)(=O)c1ccccc1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830722913 JEQNDTROVWSCCM-PXNSSMCTSA-N 474.963 -0.094 50 20 JBGD O=C([C@H](O)CCl)N1CCO[C@]2(COCCN(C(=O)C(F)(F)C(F)(F)C(=O)O)C2)C1 1830726963 YLVURKRRNZQKBQ-NOZJJQNGSA-N 450.769 -0.602 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)c3ncn(-c4ccccc4)n3)C2)C1 1835928547 RAOLZHVVJFTYGS-XMMPIXPASA-N 491.313 -0.669 50 20 JBGD C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837459150 KESCUMRHHKHZBU-VGOFRKELSA-N 461.519 -0.672 50 20 JBGD CC(C)N1CCC[C@H]1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837461115 OKPZSVDDFFULPK-WMZHIEFXSA-N 474.562 -0.372 50 20 JBGD CC(=O)OC[C@H](OC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1 1837499750 QTFRKWUHSXYYOP-PXNSSMCTSA-N 474.583 -0.211 50 20 JBGD Cc1nc(C)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)o1 1838004966 SSYWKLJIXOXLIP-OAQYLSRUSA-N 458.475 -0.326 50 20 JBGD CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N2CC3(CCCN3C(=O)c3cccc(B(O)O)c3)C2)[C@@H](O)C1 1843012963 VFJBLDFIMZZFBL-MOPGFXCFSA-N 487.362 -0.199 50 20 JBGD Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)C2)s1 729276246 ZZEUAIWISRHYLW-VXGBXAGGSA-N 452.580 -0.458 50 20 JBGD O=C(NNC(=O)c1ccnc(-n2cncn2)c1)c1cccc(S(=O)(=O)N2CCOCC2)c1 917501600 WFJVUICXJVPECY-UHFFFAOYSA-N 457.472 -0.242 50 20 JBGD CN1CCCn2nc(C(=O)N3CCO[C@]4(CCN(C(=O)c5cnccc5C(=O)NN)C4)C3)cc2C1 1779037393 ZIDITXJLLZRPFM-QHCPKHFHSA-N 482.545 -0.526 50 20 JBGD COc1ncc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)cc1C 1786979397 DHQRKPUPQVZAEI-VDGAXYAQSA-N 453.304 -0.014 50 20 JBGD O=C(/C=C/C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)NCc1ccco1 1788719760 VNDMZPFRNHFZBI-FLMXVTCASA-N 481.314 -0.575 50 20 JBGD C[C@H](NC(=O)c1ccc(F)cc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795739954 VTXLSPKFIIXVMN-HEFCWWFNSA-N 483.305 -0.473 50 20 JBGD O=C(/C=C\C(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1)NC1CC1 1807360538 KWLRXFOURGYIPR-WLJPSVCKSA-N 462.315 -0.084 50 20 JBGD O=C(NC[C@H]1CCN(C(=O)CCN2CCOC2=O)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807363482 OTIDTJKCYVBJFX-WIYYLYMNSA-N 466.303 -0.077 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)C[C@@H]2NC(=O)NC2=O)CC1 1825077090 LCEOCTAHIPZVKO-HOTGVXAUSA-N 450.540 -0.423 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(Cl)nc1)CCO2 1829505407 AHLRGSDWSPXAKM-NRFANRHFSA-N 459.695 -0.201 50 20 JBGD Cc1cn(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)CBr)CCO3)c(=O)nc1O 1830545842 NLWKAMVCEOQXJM-YJYMSZOUSA-N 487.351 -0.255 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCc3ccoc3C1)CCO2 1830930302 KOUVHAZZIDZSTC-NTKDMRAZSA-N 468.315 -0.166 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(=O)n3[nH]nnc3n2)CC1 1831871211 NHALRRAOADRQTD-INIZCTEOSA-N 473.538 -0.581 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)CCc3cn[nH]c3)CC2)CC1)c1cccc(B(O)O)c1 1834799806 BUEBJCVFXNANGT-UHFFFAOYSA-N 453.352 -0.093 50 20 JBGD COc1ccccc1OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835926561 RWNJOYPKIMUHHQ-XMMPIXPASA-N 484.314 -0.476 50 20 JBGD O=Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)s1 1835943597 WEWMNMHZWBJAIY-NRFANRHFSA-N 458.301 -0.376 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1837458850 FPCJVYAQLOEKDK-WGBQGACBSA-N 473.534 -0.773 50 20 JBGD CCOC(=O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837461846 GIEMXFAWBASJHK-QFIPXVFZSA-N 477.518 -0.656 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(Cl)nn1)CCO2 1837839528 LULVETHFFKUQSR-LJQANCHMSA-N 454.915 -0.427 50 20 JBGD O=C(/C=C\C(=O)N1CCC(OC2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1)NC1CC1 1837921127 CKZAUOASOQCEGE-SREVYHEPSA-N 469.347 -0.187 50 20 JBGD COC[C@H](NC(C)=O)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@](C)(Cl)CCl)CCO2 1839154045 ZQAJCGABEIAEEK-WBAXXEDZSA-N 454.351 -0.170 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4cccn4cn3)C2)C1 1840184433 MFLRYLUITNIWEN-JOCHJYFZSA-N 458.519 -0.223 50 20 JBGD CCOC(=O)c1ncn2c1CC[C@H](C(=O)N1CCCC13CN(C(=O)c1cccc(B(O)O)c1)C3)C2 1845862478 UMYGBPZBLOLULN-KRWDZBQOSA-N 480.330 -0.181 50 20 JBGD COCCn1cnc2c1c(=O)n(CC(=O)NNC(=O)c1cc(C)n(C)n1)c(=O)n2Cc1ccccc1 917522778 QNMCXMXWUKYBIR-UHFFFAOYSA-N 494.512 -0.442 50 20 JBGD CN(CCCC(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(F)cc1 919885992 SJHDEYMWHFZRDL-CYBMUJFWSA-N 450.514 -0.256 50 20 JBGD CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 919886165 RCICJZWZISILPH-DZGCQCFKSA-N 478.618 -0.087 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnc4[nH]ncc4c3)C2)C1 1778416094 SJVIKFYAEFDUKA-OAQYLSRUSA-N 450.459 -0.286 50 20 JBGD CN(CC(=O)N1CCO[C@]2(CCN(C(=O)CCn3cncn3)C2)C1)NC(=O)NCc1ccccc1 1784342779 PCCCWZZBMQSCJZ-QHCPKHFHSA-N 484.561 -0.156 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(-n4cncn4)c3)C[C@@H]21)c1cccc(B(O)O)c1 1786985219 RXKDSCJKLQHTCD-NYVOZVTQSA-N 475.314 -0.146 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1CCC3(CC1)OCCO3)C2)c1cccc(B(O)O)c1 1795740534 FPBNCAAAVNPKJF-OPVJXMOQSA-N 458.320 -0.497 50 20 JBGD CS(=O)(=O)N1CCC(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](F)Br)C3)CC1 1797141043 SSJMAXKZKBJIOP-CRWXNKLISA-N 470.361 -0.062 50 20 JBGD COc1cc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)ccc1[N+](=O)[O-] 1799249556 SKCBZGYZURNERP-FAQVEIGNSA-N 483.286 -0.271 50 20 JBGD O=C(NC[C@H]1CCN(C(=O)c2cc(C(=O)O)ncn2)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807360317 AFNAZBDNSGJGCE-UZLBHIALSA-N 475.270 -0.117 50 20 JBGD CCC(=O)N[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807360371 RXKMNWGSGOCDAN-FQELHTAISA-N 452.320 -0.004 50 20 JBGD CN1CCN(CC(=O)N2CC[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)CC1 1807376677 VULHRGLIDAYFNK-REWPJTCUSA-N 465.363 -0.672 50 20 JBGD CS(=O)(=O)c1cccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)c1 1830719917 OYEMSAWWNMLAHK-LPHOPBHVSA-N 460.936 -0.240 50 20 JBGD C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830739204 ZZPBCUSHNRRHDS-CKJXQJPGSA-N 473.954 -0.041 50 20 JBGD CC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCS(=O)(=O)CC3)CCO2)C1 1832487234 DDAOMQVGKNJFLZ-CRAIPNDOSA-N 451.973 -0.809 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCc1cc(F)ccn1)CCO2 1832854708 YGWMMLIYWQMBHB-JOCHJYFZSA-N 465.526 -0.017 50 20 JBGD CC[C@H](NC(C)=O)C(=O)NC1CCN(C2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1 1833097348 NVBFASSKJMLIHT-IBGZPJMESA-N 452.600 -0.154 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)C3CCC(CO)CC3)C2)C1 1835927251 NBKNYLBTWXTZRK-KXXGJQBSSA-N 460.336 -0.765 50 20 JBGD COc1cc(F)ccc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835940190 YQZWGXHDXOWAIV-HSZRJFAPSA-N 472.278 -0.102 50 20 JBGD CC(C)N[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1)C(C)C 1837457530 IKABSUZEKOHRQQ-AUSIDOKSSA-N 476.578 -0.222 50 20 JBGD COC[C@H](NC(C)=O)C(=O)N1CCC(OC2CCN(C(=O)c3cnccc3C(=O)NN)CC2)CC1 1838394096 RJLSHXYSALOEST-FQEVSTJZSA-N 490.561 -0.552 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CCOC[C@@]2(CN(C(=O)COCCO)CCO2)C1 1839195045 XLINQINQPMXIJC-OAQYLSRUSA-N 481.458 -0.401 50 20 JBGD COC(=O)[C@@H]1CC=CC[C@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1840143980 KETBHLNPRGHRCV-PNCHPQGNSA-N 480.562 -0.429 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3snnc3C3CC3)C2)C1 1840184238 FBKSYLKAOFTXBI-FQEVSTJZSA-N 466.564 -0.142 50 20 JBGD CN(CC(=O)N1CC2(CCCN2C(=O)C[C@@H]2NC(=O)NC2=O)C1)NC(=O)NCc1ccccc1 1841961341 TVQVONCJGYPKFQ-INIZCTEOSA-N 471.518 -0.866 50 20 JBGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)CN1CCSC1=O 727944473 HDHXFASLWRACAT-UHFFFAOYSA-N 456.546 -0.044 50 20 JBGD COc1ccc(C(=O)NNC(=O)COC(=O)CNS(=O)(=O)c2cn(C)c(C)n2)cc1OC 750622433 ZJSZHHPNOLKKEB-UHFFFAOYSA-N 469.476 -0.972 50 20 JBGD Cn1nc(C(=O)NNC(=O)NCCCN2CCN(c3ncccn3)CC2)c2ccccc2c1=O 916267069 XSZLPODOEACAMK-UHFFFAOYSA-N 465.518 -0.120 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1CCN(C)CC1)C2 1778091170 PKPGQIAKOFJOIX-UMVRBXGHSA-N 487.605 -0.118 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)[C@@H]3CN(Cc4ccccc4)CCO3)C2)C1 1778276374 PNPFCRHWSKMSAX-JYFHCDHNSA-N 493.369 -0.289 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC(F)(F)C(=O)O)C[C@@H]21 1788610244 MJMXANDKWRPMGB-BPNCWPANSA-N 455.418 -0.612 50 20 JBGD Cc1ccc(=O)n(C(C)(C)C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cnccc4C(=O)NN)C[C@@H]32)n1 1788731201 FELPVQILAPPOQZ-SNRMKQJTSA-N 497.556 -0.421 50 20 JBGD CC(C)(C)OC(=O)N1CCC(O)(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](O)CCl)C3)CC1 1793665007 FRBLJUUHENQMQQ-QKPAOTATSA-N 475.970 -0.062 50 20 JBGD CNC(=S)NCCC(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1810308576 VKRCHRPBFZGOOG-XLIONFOSSA-N 469.376 -0.435 50 20 JBGD Cc1cn(CC(=O)NC[C@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)c(=O)nc1O 1814038946 IQMNKQQSRKQTAW-WIYYLYMNSA-N 491.313 -0.648 50 20 JBGD COC[C@@H](NC(C)=O)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827057519 HGGIFWHRGIQCFY-NHCUHLMSSA-N 459.352 -0.249 50 20 JBGD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1828242911 WAXFGWRFLWKRGR-LBPRGKRZSA-N 490.397 -0.091 50 20 JBGD NC(=O)c1nccnc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(B(O)O)c2)CC1 1829508231 MRDSNXOYBUFXPR-GOSISDBHSA-N 465.319 -0.198 50 20 JBGD C[C@@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3nc(N)n[nH]3)C2)C1 1830539264 FWCRCHDSLTUIOH-SJCJKPOMSA-N 459.345 -0.193 50 20 JBGD CC(C)(C)OC(=O)N1CCOC[C@H]1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830727929 KPNFETZQUWAAIE-QYWGDWMGSA-N 491.969 -0.322 50 20 JBGD CN(CC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cnccc2C(=O)NN)CC1)C(=O)C(=O)O 1831165457 OVSNDQHKDGDLCN-KRWDZBQOSA-N 474.518 -0.539 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 1831871029 LABLZPCAJJBZHJ-FQEVSTJZSA-N 458.368 -0.027 50 20 JBGD O=C(CCc1ccccn1)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1833184906 KWTUHCBGUKYWPI-QHCPKHFHSA-N 453.304 -0.536 50 20 JBGD Cn1nc(C(=O)N2CCC(N3CCC(NC(=O)c4cccc(B(O)O)c4)CC3)CC2)cc1O 1834799893 LINXZTCOVNGRGM-UHFFFAOYSA-N 455.324 -0.696 50 20 JBGD CC(=O)N(C)[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1 1835125406 QAQOGPWEVDUAIT-INIZCTEOSA-N 452.600 -0.202 50 20 JBGD C[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc4n(n3)CCCNC4=O)CCO2)C1 1836780794 IIVLKLFFUYVCPO-BFUOFWGJSA-N 484.351 -0.130 50 20 JBGD Cc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)cn1C 1837457988 ZURXETHESBSPNR-JOCHJYFZSA-N 456.503 -0.284 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc4nccn34)C2)C1 1837460068 RSRWYTXYHRQSKV-QHCPKHFHSA-N 479.497 -0.283 50 20 JBGD COc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)ccc1O 1838974091 UKFISMYZOUPRGU-QHCPKHFHSA-N 485.497 -0.217 50 20 JBGD O=C(CCBr)N1CCOC[C@]2(C1)CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)CCO2 1839717976 ZDWGINYVTZJZLE-SFHVURJKSA-N 487.307 -0.002 50 20 JBGD CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1840371648 VHAMUJLEDQFSEO-RVKKMQEKSA-N 490.330 -0.396 50 20 JBGD Cn1nc(C(=O)NNC(=O)Cn2cnc3c(c(Br)nn3C)c2=O)c2ccccc2c1=O 727099369 SXTBIZXIWUVYGC-UHFFFAOYSA-N 487.274 -0.399 50 20 JBGD O=C(NNC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)c1cccc(S(=O)(=O)N2CCCC2)c1 914830381 RGHHFZAZRHMRBB-CVEARBPZSA-N 498.583 -0.732 50 20 JBGD CC(=O)N/C(=C\c1ccco1)C(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779037278 UUSFUHSCQFWBNY-NSYTUHEQSA-N 482.497 -0.101 50 20 JBGD CC[C@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)CCO2)C1 1781214727 BQEAFYQDNMQLTC-RBZFPXEDSA-N 466.926 -0.719 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(C(N)=O)cc3)[C@H]2C1 1791895046 QSZBPKMTDHUJCF-SNRMKQJTSA-N 466.498 -0.309 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1ccc(CO)c(F)c1 1792090439 GZXUVLIPRDUNHZ-CUWPLCDZSA-N 456.279 -0.095 50 20 JBGD C[C@H]1Oc2ccc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)c3ccc(B(O)O)cc3)cc2NC1=O 1795735018 JDDOKSLEOFMMMN-DBDYQOSUSA-N 479.298 -0.397 50 20 JBGD COCCn1nccc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1796588480 PIIOEDNMCFMPAQ-ZSBFGKGUSA-N 457.491 -0.955 50 20 JBGD C[C@H](NC(=O)c1cnccn1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnccc1C(=O)NN 1798440084 AOFADLKHNBRUMB-XQLPTFJDSA-N 466.502 -0.455 50 20 JBGD CC(C)(C)OC(=O)N1CC[C@@H]2C[C@]21C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1800772031 HAZZQEMKVIRGEZ-ZTDQHOIESA-N 499.373 -0.031 50 20 JBGD C[C@H](CS(C)(=O)=O)C(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807364737 JYEBFJIISYQBIF-MOXGXCLJSA-N 473.360 -0.238 50 20 JBGD O=C(NC[C@H]1CCN(C(=O)c2cc(CO)on2)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807375376 OCWOFWIXTDLTQI-UZLBHIALSA-N 450.260 -0.125 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)CS(=O)(=O)N2CCCC2)[C@H]1c1cccnc1 1813071247 QJBQPKUAFAYOGE-GCJKJVERSA-N 494.618 -0.114 50 20 JBGD O=C(CN1CCS(=O)(=O)CC1)N1CCC([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827055896 IZGRRWSFFUCJKL-OAQYLSRUSA-N 491.419 -0.670 50 20 JBGD C[C@@H](O)C(=O)N1CC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCN2C(=O)OCc2ccccc2)C1 1829000544 JEAHNPPIWJEZAG-IQGLISFBSA-N 495.341 -0.187 50 20 JBGD C[C@](Cl)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CC(=O)NC3=O)CCO2)C1 1832480185 BBDLORVZCUAINQ-DLBZAZTESA-N 451.307 -0.769 50 20 JBGD Cc1cnc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)cn1 1834084279 FITKRYHIUJSTJE-NRFANRHFSA-N 455.475 -0.833 50 20 JBGD C[C@H](C(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1)N1C[C@H]2C[C@@H]2C1 1834798537 ISEZTTSRUKPSPQ-MISYRCLQSA-N 468.407 -0.108 50 20 JBGD CN(C)c1cncc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)c1 1835927553 SRCJLKJMXOLMSP-HSZRJFAPSA-N 468.319 -0.789 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc4ncnn4c3)CCO2)C1 1837168912 ATXOQANPVPKXPY-JOCHJYFZSA-N 480.485 -0.888 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1nc(O)n3c1CCCC3)CCO2 1837760236 ZSKFWBPSKCULOW-JOCHJYFZSA-N 478.550 -0.632 50 20 JBGD C[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1)c1ccccn1 1840501512 KEQQTLOKVJLNQN-HXOBKFHXSA-N 453.304 -0.365 50 20 JBGD CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N2CCCC23CN(C(=O)c2cccc(B(O)O)c2)C3)[C@H](O)C1 1841025198 AFHCENHEZZEHEY-RTBURBONSA-N 487.362 -0.199 50 20 JBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c1 729276189 YTGJUIAKJHKPRL-UPJWGTAASA-N 462.550 -0.817 50 20 JBGD O=C(CCNS(=O)(=O)c1ccc2c(c1)CCCC2)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 920212578 QKIFMJTXWLMBKG-OAHLLOKOSA-N 458.562 -0.249 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H]1CCC(=O)N1)C2 1778090999 BZEHOWPTRIYQPY-BONYQSMPSA-N 458.519 -0.087 50 20 JBGD Cc1cnc2c(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)c5ccc(B(O)O)cc5)[C@H]4C3)cnn2c1 1786979691 LFVLQFHTVRGIGU-VDGAXYAQSA-N 463.303 -0.375 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3nnc4ccccc43)C[C@@H]21 1788611669 OZYGTANOIGEKGC-VHFSOBRXSA-N 478.513 -0.277 50 20 JBGD CC(C)(C)OC(=O)NCCOCCOCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2 1793088429 YOCNCNHVHYUQLX-KYHPRHEASA-N 493.985 -0.266 50 20 JBGD CC(=O)N[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN)c1ccc(F)cc1 1797752723 BCFBHZLXMRQJTB-VAKZPMALSA-N 498.515 -0.095 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)CN2C(=O)CNC2=O)[C@@H]1c1cccnc1 1804096652 XKGJXRLLSQFIGQ-QRWLVFNGSA-N 459.507 -0.988 50 20 JBGD O=C(NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)c1cc2n(n1)CCNC2=O 1806080359 MYLJUSOEJDPJIP-LAUBAEHRSA-N 488.313 -0.665 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@H](CNC(=O)CN2CCOCC2)[C@@H]1c1cccnc1 1806904676 DGOAAPCPGVQEFE-UWJYYQICSA-N 467.530 -0.268 50 20 JBGD CN1CCN(CC(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2ccc(B(O)O)cc2)CC3)CC1 1818798334 HNDSYLXECJSQQS-MRXNPFEDSA-N 457.365 -0.704 50 20 JBGD CC[C@H](NC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C2)C1 1829854655 RLMYIWWHTZSCCN-VSAIRZLZSA-N 476.534 -0.509 50 20 JBGD O=C(c1nc2c(=O)[nH]c3ccccc3n2n1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830730526 AZHHGCISVODHCK-BTYIYWSLSA-N 490.904 -0.760 50 20 JBGD O=C1Nc2c(cccc2C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)C1=O 1830730667 COQQOCOCLJQSHD-XOBRGWDASA-N 451.863 -0.509 50 20 JBGD C[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc4n(n3)CCNC4=O)CCO2)C1 1834564599 DBOIIIJPJGSBNC-SGTLLEGYSA-N 470.324 -0.520 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)CCc3ncc[nH]3)CC2)CC1)c1ccc(B(O)O)cc1 1834798900 HEFQTQULHHNGNR-UHFFFAOYSA-N 453.352 -0.093 50 20 JBGD O=C(Cc1ccc(F)c(F)c1)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1835138386 NNEWMWSRJVRMBZ-QHCPKHFHSA-N 474.269 -0.043 50 20 JBGD C[C@H](C(=O)NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1)n1ccccc1=O 1835826608 XAIYSCJCFIUYKX-GOSISDBHSA-N 480.374 -0.026 50 20 JBGD O=C(CNc1ccc(F)cc1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835929380 NDOTTZZTHACROM-QHCPKHFHSA-N 471.294 -0.312 50 20 JBGD CC(C)Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)n(C)n1 1836337270 VNTKXNBATMJSBJ-DEOSSOPVSA-N 484.362 -0.318 50 20 JBGD CC[C@@H](NC(C)=O)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1836616941 ZMIGWLMJRFRAKX-OAQYLSRUSA-N 459.352 -0.107 50 20 JBGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc4n(n3)CCCNC4=O)CCO2)C1 1836780864 JMBXUZYRPOZEKD-JLTOFOAXSA-N 469.926 -0.660 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCC(OC2CCN(C(=O)c3nc[nH]c3[N+](=O)[O-])CC2)CC1 1837919297 DBOZNZOWVFPCBM-UHFFFAOYSA-N 471.279 -0.076 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(N(C)C)nc3)C2)C1 1840184818 BAXLHTPXTOXQFT-JOCHJYFZSA-N 462.551 -0.409 50 20 JBGD CC(=NNC(=O)N[C@H]1CCS(=O)(=O)C1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 729816693 PZBUTEIGPWIRHF-ZDUSSCGKSA-N 466.563 -0.378 50 20 JBGD CC(C)CNC(=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnccc2C(=O)NN)C1 1779373515 XUVAILXVHVDYRB-VGOFRKELSA-N 460.535 -0.415 50 20 JBGD CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]3C2)C1 1784095337 BEBJCKXFGXLBER-KUSYAZKWSA-N 475.970 -0.062 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(Cl)cc3nn[nH]c13)C2)c1cccc(B(O)O)c1 1795740215 FYBVRKDBZRYSOK-IVWMJMPLSA-N 469.694 -0.192 50 20 JBGD CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)c3cccc(B(O)O)c3)C4)[C@@H]2C1 1800718326 SSJRMBJGLWLVNL-MHDMWBPOSA-N 499.373 -0.318 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C 1801011543 SFTILROVDQUREZ-BHTPPFENSA-N 461.523 -0.917 50 20 JBGD CN(CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCn1cncn1)NC(=O)NCc1ccccc1 1801262521 GCCKPJDXJCYOJK-HATOLVCRSA-N 484.561 -0.396 50 20 JBGD COC[C@H](NC(C)=O)C(=O)N[C@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815344138 KASRHIBNRFRHGF-HOCLYGCPSA-N 460.321 -0.800 50 20 JBGD C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C2)C1 1831392677 GFGRZSLWLJXSMM-TUGUMKMLSA-N 459.503 -0.385 50 20 JBGD Cc1nn2cc(CC(=O)N3CCO[C@]4(COCCN(C(=O)[C@@H](O)CCl)C4)C3)nc2s1 1832100998 JGGAMYJYUIFITO-KBXCAEBGSA-N 457.940 -0.302 50 20 JBGD Cc1nc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)ccc1F 1833466264 HKXHIOZXSCXVCU-NRFANRHFSA-N 451.499 -0.028 50 20 JBGD COc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)n1 1833767182 WESMIPRIDGAZHJ-QFIPXVFZSA-N 470.486 -0.528 50 20 JBGD O=C(Cc1noc2ccccc12)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835928701 WCTCPFUODSQPGV-DEOSSOPVSA-N 479.298 -0.180 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)c3cc(O)ccc3O)C2)C1 1835931827 DLESUWYAZPTVEN-JOCHJYFZSA-N 456.260 -0.839 50 20 JBGD N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@]4(CN(C(=O)c5ccc(B(O)O)cc5)CCO4)C3)c2c1 1835932180 SBXODJQOEBMIIZ-DEOSSOPVSA-N 489.297 -0.502 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1ON=C(c3ccccc3)O1)CCO2 1837293256 SYHCPDOVDNEISE-RPWUZVMVSA-N 495.297 -0.829 50 20 JBGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(=O)c3cc(C)on3)CCO2)C1 1837550051 KOQGFDXTMMSWPK-KUHUBIRLSA-N 458.899 -0.577 50 20 JBGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc4ncnn4c3)CCO2)C1 1839049836 YQJHSRNQNIYIHL-UZLBHIALSA-N 451.911 -0.018 50 20 JBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCNC(=O)c3ccc[nH]3)C2)C1 1840150316 IDTNXOXKHLSJLL-MGPUTAFESA-N 456.927 -0.155 50 20 JBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CCNC(=O)c3ccc[nH]3)C2)C1 1840150318 IDTNXOXKHLSJLL-YWZLYKJASA-N 456.927 -0.155 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn4ccccc34)C2)C1 1840184591 WLAMEOYULBMIRO-JOCHJYFZSA-N 458.519 -0.223 50 20 JBGD O=C(CNC(=O)C(F)(F)F)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1840204320 DIYRCKAHMVPUNY-GWCFXTLKSA-N 464.210 -0.188 50 20 JBGD CCOc1ccccc1OCC(=O)NNC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 869751107 RBTSVSARLOEJOD-ZDUSSCGKSA-N 452.489 -0.223 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)[C@H]3CN(Cc4ccccc4)CCO3)C2)C1 1778276398 PNPFCRHWSKMSAX-ZEQKJWHPSA-N 493.369 -0.289 50 20 JBGD CSCC[C@@H](O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2 1782227431 JEGQONJWUKAFQD-DBXWQHBBSA-N 450.366 -0.392 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCN3CCOC3=O)C[C@@H]21 1787508423 IPAIBRPMEWUKDK-SMKMMKTPSA-N 474.518 -0.058 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1ccc2nc(CO)[nH]c2c1 1796869380 MLMMEXZUQLNEQP-VPTLXERWSA-N 464.287 -0.748 50 20 JBGD CCOC(=O)c1ncn2c1CC[C@@H](C(=O)N[C@@H]1[C@H]3COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C3)C2 1800325246 QTEVKVRGASZIKV-BIYBGRMPSA-N 468.938 -0.189 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H](CNC(=O)CN2CCOCC2)[C@H]1c1cccnc1 1806904669 DGOAAPCPGVQEFE-DYESRHJHSA-N 467.530 -0.268 50 20 JBGD CCS(=O)(=O)N[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807359234 GJHMGAYBEVGBDH-BPAFIMBUSA-N 488.375 -0.591 50 20 JBGD O=C(Nc1cc([C@H]2CCCCN2C(=O)CS(=O)(=O)N2CCCC2)[nH]n1)c1cccc(B(O)O)c1 1817475564 UMYYCDCTWVEWSQ-GOSISDBHSA-N 489.363 -0.179 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)CC(N)=O)CCO2 1831603573 KTSCVRLNXXMYKI-YCGBLELFSA-N 462.507 -0.912 50 20 JBGD O=C(CCc1cnc[nH]1)NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1833787861 IQYQMYKMCOQGKW-UHFFFAOYSA-N 453.352 -0.093 50 20 JBGD CC(=O)N(C)[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3cccc(B(O)O)c3)CC2)CC1 1834799985 LHOHFUAWFQVMSY-MRXNPFEDSA-N 458.368 -0.582 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)CCn3ccnn3)CC2)CC1)c1ccc(B(O)O)cc1 1834800687 YPHXURUMXJQQBR-UHFFFAOYSA-N 454.340 -0.767 50 20 JBGD CC[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3nc(N)n[nH]3)CCO2)C1 1837277222 GYASKNSMYDNFEZ-YVEFUNNKSA-N 459.345 -0.051 50 20 JBGD CC1CCN(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)CC1 1837456083 IGHNJQIRWKMFJC-HSZRJFAPSA-N 474.562 -0.513 50 20 JBGD C[C@@H](Nc1cccnc1)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837457445 BWDMDBHPRKBSMH-WAIKUNEKSA-N 483.529 -0.349 50 20 JBGD Cc1ccncc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnccc1C(=O)NN)CCO2 1837457742 OTOQPBSEVAOWRI-JOCHJYFZSA-N 454.487 -0.228 50 20 JBGD CCOC(=O)N[C@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)Br)CCO2)C1 1840033416 COWPRTBBXISSEO-HWWQOWPSSA-N 452.302 -0.709 50 20 JBGD CCC[C@H](NC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C2)C1 1840854346 ZDSIZSDPYRQJFR-ABTLLSDWSA-N 490.561 -0.118 50 20 JBGD NC(=O)COc1ccc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1 28195642 BQERZUSRDUAPKU-UHFFFAOYSA-N 462.484 -0.354 50 20 JBGD COCCn1cnc2c1c(=O)n(CC(=O)NNC(=O)NC(C)C)c(=O)n2Cc1ccccc1 915879012 QVIPEOSLSCBXDC-UHFFFAOYSA-N 457.491 -0.207 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1=NN(C)C(=O)CC1)C2 1782209522 XNLUSVYLCYWZFU-IIBYNOLFSA-N 450.540 -0.519 50 20 JBGD COCCOCCOCCC(=O)N1CC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1783667223 QTVGIBFIVTVGFH-NRFANRHFSA-N 458.556 -0.741 50 20 JBGD Cn1c(=O)c2c(ncn2CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C(C)(C)CCl)[C@H]3C2)n(C)c1=O 1783845896 HESAQMMEJQVWGB-KKUMJFAQSA-N 494.980 -0.322 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1CC(c3ccccc3)=NN1)CCO2 1783936357 GPFSSUWQIFIASH-XXBNENTESA-N 456.547 -0.045 50 20 JBGD CC(C)(C)OC(=O)N[C@H](CCN)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]2C1 1784090097 QWJQXZAKATYYCY-RBZJEDDUSA-N 462.975 -0.192 50 20 JBGD COC(=O)[C@@H]1CC[C@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)C1 1786983306 LUZCGWNFZKRHTR-VYMYIBDJSA-N 458.320 -0.451 50 20 JBGD C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1)N1C[C@@H]2C[C@H]2C1 1788611393 ZFEICDHPGLMTTQ-NIDXHAAISA-N 456.547 -0.381 50 20 JBGD C[C@@H](CBr)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN(CCO)CCO)[C@H]2C1 1790907556 XABQGSLUQYOMDD-VGWMRTNUSA-N 450.374 -0.716 50 20 JBGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCc2nc(O)nc(O)c2C1 1794111778 WDNWRIJDZGUQGA-APLFDDQLSA-N 454.911 -0.164 50 20 JBGD O=C(CNC(=O)c1cccs1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1794116417 WGUZDWHLYNSAIV-CCWDJLKJSA-N 457.317 -0.939 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3c(n1)OCCO3)C2)c1ccc(B(O)O)cc1 1795734333 MWVYPSKVOGFBHJ-CCWDJLKJSA-N 453.260 -0.950 50 20 JBGD O=C1CSc2cc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)c3cccc(B(O)O)c3)ccc2N1 1795738711 AELFBKOXIVXITN-VPTLXERWSA-N 481.339 -0.072 50 20 JBGD C[C@H](Nc1ccccn1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1797976506 ISJUBKZQDMDRTP-ZTENYAIWSA-N 453.503 -0.216 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(N2CCN(C)CC2)CC1 1799191228 RLUGCYZATCWEDX-MPJLXYMISA-N 485.589 -0.510 50 20 JBGD CN(CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1ccncc1=O)NC(=O)NCc1ccccc1 1800199694 HKUITYBAGHWYMX-BBIADKPPSA-N 497.556 -0.821 50 20 JBGD COC(=O)N(CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)Cc1ccccc1 1800852644 CYSJBEQUSKXZDX-JHDGKUDLSA-N 495.341 -0.162 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)CCN2C(=O)C=CC2=O)[C@H]1c1cccnc1 1803916951 MCUWXLQOEGOFDG-GAJHUEQPSA-N 470.530 -0.225 50 20 JBGD O=C(CN1C(=O)C=CC1=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1813173612 WXAJVNWSQONNDN-JTSKRJEESA-N 462.271 -0.994 50 20 JBGD COC(=O)CSCC(=O)N[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815335603 HEROIKHLRVDNFH-CYBMUJFWSA-N 463.346 -0.045 50 20 JBGD O=C(CN1C(=O)CNC1=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827056047 RCARCPSEUYUKMB-GOSISDBHSA-N 456.308 -0.849 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@](C)(O)C(F)(F)F)CCO2 1832166030 JWMXFQNBGFSAOZ-DLBZAZTESA-N 454.446 -0.871 50 20 JBGD COc1cnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)c(F)c1 1833630798 BMCVBSOWKNLASY-JOCHJYFZSA-N 473.266 -0.707 50 20 JBGD N=C(N)SCCC(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834797843 CPAHYGVEJCHSAZ-UHFFFAOYSA-N 461.397 -0.432 50 20 JBGD CN1CCN(CC(=O)NC2CCN(C3CCN(C(=O)c4cnccc4C(=O)NN)CC3)CC2)CC1 1835481776 LCNKSOPHYDRHJP-UHFFFAOYSA-N 486.621 -0.882 50 20 JBGD CC(=O)Nc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)cc1O 1835931961 JBXCTFJHHZDCQM-XMMPIXPASA-N 497.313 -0.586 50 20 JBGD CNc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)cc1 1835935781 QXDROXLKWZQWDF-HSZRJFAPSA-N 453.304 -0.208 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cc(C)cn3)CCO2)C1 1836198796 MZRLCZRNWPWNMQ-ALAMRGAJSA-N 471.518 -0.218 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)c1n[nH]c3c(F)cccc13)CCO2 1837057960 UUSRTYBXPVXLDY-QHCPKHFHSA-N 482.277 -0.234 50 20 JBGD CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NNC(=O)c1csc(N2CCOCC2)n1 726277335 MIEJFANMNWBFHT-OAHLLOKOSA-N 453.569 -0.134 50 20 JBGD COc1ccc(Br)c(C(=O)NNC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)c1 728528414 IATAKKMTSBLCRD-UHFFFAOYSA-N 465.264 -0.334 50 20 JBGD COc1ccc(C(=O)NNC(=O)COC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)cc1OC 753639572 FDNSJYBIEPOAIP-ZDUSSCGKSA-N 496.498 -0.827 50 20 JBGD COCCn1cnc2c1c(=O)n(CC(=O)NNC(=O)c1cncs1)c(=O)n2Cc1ccccc1 807325332 PIEHBHPWWYPQPP-UHFFFAOYSA-N 483.510 -0.028 50 20 JBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NCCCn3nc4n(c3=O)CCCC4)nc2)CC1 916650197 SNXFWKDEPUHUFI-UHFFFAOYSA-N 493.594 -0.571 50 20 JBGD NS(=O)(=O)c1ccc(CCC(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1 917244283 MHVHDWUTRKSEOV-QGZVFWFLSA-N 463.468 -0.203 50 20 JBGD CNC(=O)NNC(=O)CSCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC 919877852 AJDCCBZDVFIJCV-UHFFFAOYSA-N 475.549 -0.652 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCNC1=N)C2 1798522427 XLBRVUYBTXWIDM-HBCWATKFSA-N 474.474 -0.437 50 20 JBGD CC(C)(C)OC(=O)N[C@H](O)C(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1811506321 BNMDSIQLVBLHFQ-SLYNCCJLSA-N 498.345 -0.076 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc([N+](=O)[O-])o1)CCO2 1829484608 KXLFCZCYJGAPBM-HXUWFJFHSA-N 459.220 -0.749 50 20 JBGD COc1cc(N2CCC(C(=O)N3CCO[C@@]4(COCCN(C(=O)[C@@H](O)CCl)C4)C3)CC2)ncn1 1830957452 JIMZRYQLFCDWPR-JTSKRJEESA-N 497.980 -0.242 50 20 JBGD C[C@](Cl)(CCl)C(=O)N1CCOC[C@]2(CN(C(=O)CN3C(=O)CNC3=O)CCO2)C1 1832332720 VADAZTAGDKGHGN-IRXDYDNUSA-N 451.307 -0.769 50 20 JBGD COc1cccnc1CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1832863760 XHVSBSZPIUWRBV-XMMPIXPASA-N 483.330 -0.527 50 20 JBGD Cn1cnc(C(=O)N2CCOC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)c1C(F)(F)F 1835937429 WCWAADUXDFPPNE-FQEVSTJZSA-N 496.251 -0.498 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1nc(O)n3c1CCCC3)CCO2 1837760238 ZSKFWBPSKCULOW-QFIPXVFZSA-N 478.550 -0.632 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)c1cccn(C(F)F)c1=O)CCO2 1837770165 WHGROMXTDJRGGJ-QFIPXVFZSA-N 491.256 -0.693 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839199813 VILZLTVDMUSRJE-RHSMWYFYSA-N 459.077 -0.873 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn4c(F)cccc4n3)C2)C1 1840185713 VVTUQENATWRZTF-QFIPXVFZSA-N 476.509 -0.084 50 20 JBGD C[C@H](Cc1ccco1)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1840469613 QTIVVGFBCYXYML-UZUQRXQVSA-N 456.304 -0.092 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)[C@H]1CCc3nc(O)nc(O)c3C1)C2 1844263715 MPDGEZHGBHCJOC-LBPRGKRZSA-N 467.486 -0.492 50 20 JBGD O=C(COC(=O)CCNC1=NS(=O)(=O)c2ccccc21)NNC(=O)[C@H]1COc2ccccc2O1 9550934 GFHJOMXIYBSXOA-MRXNPFEDSA-N 488.478 -0.354 50 20 JBGD COc1ccc(OCC(=O)NNC(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)cc1 726710491 CCYFGAABRANYQP-UHFFFAOYSA-N 457.491 -0.067 50 20 JBGD CN1CC[C@H](C(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1=O 906288790 IDSAKLKVHJMSKV-INIZCTEOSA-N 452.533 -0.344 50 20 JBGD O=C(CN1CCCC1=O)NNC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@H]1CCCO1)C2=O 920433101 NUAYAOHMDVXNOO-CYBMUJFWSA-N 450.473 -0.607 50 20 JBGD Cc1c(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)cn2[nH]cnc(=O)c12 1779032668 QLJRMBVQBFGCAM-JOCHJYFZSA-N 480.485 -0.913 50 20 JBGD CS(=O)(=O)c1cccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)c1 1783748635 RZUKEXRUHXBRHY-YYWHXJBOSA-N 486.355 -0.323 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)CCO2 1783934751 LTHXLSOWIFYHNY-KSFYIVLOSA-N 485.582 -0.535 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccnc3C(N)=O)C[C@@H]21 1788611708 SVERTZOKFIVYGM-ZLIFDBKOSA-N 467.486 -0.914 50 20 JBGD COc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)cc1O 1792729433 LHUGQWKEBFTMCZ-FAQVEIGNSA-N 454.288 -0.474 50 20 JBGD O=C(Cc1ccc2c(c1)OCO2)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1795310604 SWKPNCCLRRCVIQ-FAQVEIGNSA-N 452.272 -0.459 50 20 JBGD Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)ncc1[N+](=O)[O-] 1795738850 IOYSBDPARWLIFK-CCWDJLKJSA-N 454.248 -0.505 50 20 JBGD O=C(NC[C@@H]1CCN(C(=O)c2cccc(=O)n2O)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807369291 FCBQMFDNMROQAM-LAUBAEHRSA-N 462.271 -0.206 50 20 JBGD CS(=O)(=O)CCC(=O)N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815361918 UFJRBUSZZPYNFD-ZDUSSCGKSA-N 451.335 -0.517 50 20 JBGD CN(CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1nccn1C)CCO2)NC(=O)NCc1ccccc1 1834397240 IJXOSZFKQKZJFT-DEOSSOPVSA-N 499.572 -0.164 50 20 JBGD Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)n(-c2cccc(=O)n2C)n1 1836259147 CYPKDSLBADMJDE-VGOFRKELSA-N 493.948 -0.451 50 20 JBGD CN(CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn[nH]c3)C2)C1)NC(=O)NCc1ccccc1 1839054001 BBZFXUYFELIMHM-QHCPKHFHSA-N 485.545 -0.174 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840040859 BIBVLMQZJUZVKH-VBKZILBWSA-N 473.910 -0.337 50 20 JBGD O=C(NCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1)c1ccccc1 1840799234 PJFBYIZKEJZNCM-UWJYYQICSA-N 453.923 -0.137 50 20 JBGD CN(CC(=O)N1CCCC12CN(C(=O)CNCP(=O)(O)O)C2)NC(=O)NCc1ccccc1 1845038742 NHUVIQSYHQGGTC-UHFFFAOYSA-N 482.478 -0.739 50 20 JBGD O=C(CNC(=O)c1ccco1)NNC(=O)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1 725902742 TYRKTGPJZSSQAJ-AWEZNQCLSA-N 450.473 -0.072 50 20 JBGD CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NNC(=O)N1CCOCC1 745992014 RFJIPEWVLAXDKT-CQSZACIVSA-N 482.968 -0.505 50 20 JBGD CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NNC(=O)[C@@H]1Cc2ccccc2O1 748280668 UKJSQMBTOJBZCP-AEFFLSMTSA-N 481.552 -0.081 50 20 JBGD CCn1nc(C(=O)NNC(=O)CCNS(=O)(=O)c2cn(C)c(C)n2)c2ccccc2c1=O 750660096 RWKUWWCWSRVDOL-UHFFFAOYSA-N 461.504 -0.412 50 20 JBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)CCCS(=O)(=O)N2CCCC2)cc1 917393621 NXQKQBXATKDHJO-UHFFFAOYSA-N 460.578 -0.031 50 20 JBGD CCn1cnc2c1c(=O)n(CC(=O)NNC(=O)[C@H](C)NC(C)=O)c(=O)n2Cc1ccccc1 920504936 LWZZTFSHPKWXJN-ZDUSSCGKSA-N 455.475 -0.900 50 20 JBGD O=C1Nc2c(cccc2C(=O)N2CC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)C1=O 1778709620 JKSXPQNVMQLFTF-QHCPKHFHSA-N 463.255 -0.742 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)Cc3cn4c(nc3=O)SCC4)C2)C1 1780933948 KGJQPPNKPZCNSF-QFIPXVFZSA-N 499.553 -0.966 50 20 JBGD CCNC(=O)N[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCC(=O)NN(C)C)C1 1782214854 NKAZVIPMGXKRLN-WHSLLNHNSA-N 454.572 -0.419 50 20 JBGD COC[C@@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)Cc3csc4c3c(=O)n(C)c(=O)n4C)CCO2)C1 1783883800 YTDGBQSASWBUTG-SZNDQCEHSA-N 498.989 -0.075 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cc([N+](=O)[O-])cn3)[C@H]2C1 1785215490 SVYBFMPGUPGKBE-NGTHKXITSA-N 486.489 -0.095 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nc(O)n4c3CCCC4)[C@H]2C1 1788790495 XRXKABGNFHEIPP-OWQGQXMQSA-N 483.529 -0.169 50 20 JBGD O=C(C[C@@H]1COc2ccccc2O1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1793266909 KRWHPYOTCDPQMG-PDPLOHQNSA-N 466.299 -0.200 50 20 JBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3ncccn3n1)C2 1797751915 ZGOUUXJINRWGNW-IVWMJMPLSA-N 450.459 -0.755 50 20 JBGD COc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CN(C)NC(=O)NCc2ccccc2)C3)nn1C 1798760127 PMMBISQNUJTUIC-OPMZPASUSA-N 499.572 -0.022 50 20 JBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(CS(C)(=O)=O)nc1)C2 1801012930 GFHYJFLNDHZWEC-CWPLJXCYSA-N 481.575 -0.798 50 20 JBGD COC(=O)c1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)c(C)c1 1801910645 XUGXDBLFFWSJOU-RMFSNUHRSA-N 466.299 -0.022 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@H](CNC(=O)c2cnc(O)nc2O)[C@@H]1c1cccnc1 1808280455 KCWJCCOCIIPYRV-GUYCJALGSA-N 478.469 -0.085 50 20 JBGD COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)cc1O 1830247398 GSLVPKQNUXXISQ-QHCPKHFHSA-N 478.546 -0.227 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)c3cc(=O)n4[nH]nnc4n3)CC2)CC1)[C@@H](F)Br 1836412271 BLALILFQPPVRQA-CQSZACIVSA-N 485.318 -0.312 50 20 JBGD C[C@H](Cn1cccn1)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837456916 PQXLSQCINUAXFT-OPAMFIHVSA-N 471.518 -0.712 50 20 JBGD CCc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)nn1C 1838275597 GABLRHQNITWKNG-QFIPXVFZSA-N 471.518 -0.635 50 20 JBGD CSc1ncccc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1838284038 RAHWCIJCGKUVNE-JOCHJYFZSA-N 471.344 -0.133 50 20 JBGD COCCOCCOCCOCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](Cl)COC)C2)C1 1840082736 MHVLTNLVDHTTPZ-WIYYLYMNSA-N 496.985 -0.607 50 20 JBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4c3CS(=O)(=O)C4)C2)C1 1840151921 RORPKNHSXHZKCL-SCLBCKFNSA-N 476.939 -0.838 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc4[nH]ncc4c3)C2)C1 1840184327 GYSBERIKZGUBFM-NRFANRHFSA-N 459.507 -0.599 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(-c4ccccn4)[nH]n3)C2)C1 1840185873 UPPHNTZBWSIZRY-QHCPKHFHSA-N 485.545 -0.085 50 20 JBGD CC(C)(C)OC(=O)N[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1)C(C)(C)O 1840916727 ZSVIXGHDCOTSNR-ZSDSOXJFSA-N 493.985 -0.293 50 20 JBGD Cc1nc(S(=O)(=O)N2CCC(C(=O)NNC(=O)c3csc(N4CCOCC4)n3)CC2)cn1C 109593785 UCLHOWVXGILKKP-UHFFFAOYSA-N 497.603 -0.116 50 20 JBGD C[C@H](C(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1)N1C(=O)NC2(CCCC2)C1=O 728341841 JGTWHGWGTXLXRH-IUODEOHRSA-N 460.443 -0.230 50 20 JBGD COCCn1cnc2c1c(=O)n(CC(=O)NNC(=O)c1cnns1)c(=O)n2Cc1ccccc1 917392706 LXYIGIDIBJPDMS-UHFFFAOYSA-N 484.498 -0.633 50 20 JBGD CS(=O)(=O)N1CCC[C@@H](NC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)C1 920239264 ZIHUGMVLQZUBOH-OAHLLOKOSA-N 489.576 -0.925 50 20 JBGD CC[C@@H](Br)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CN(CCO)CCO)C1 1781840531 BCPZSEZBIOCGGO-GPMSIDNRSA-N 464.401 -0.040 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)c3ccc(N4C(=O)C=CC4=O)cc3)C2)C1 1785221571 KJDOZUJEPWMXCT-VWLOTQADSA-N 489.293 -0.447 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3COc4ccccc4O3)C[C@@H]21)c1cccc(B(O)O)c1 1786983375 OIDGOGMLBKJZIQ-KCOOCBJMSA-N 466.299 -0.200 50 20 JBGD CC(C)(C)OC(=O)N1CC(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)C1 1788114500 HBCWMBHNOUCBOQ-VDGAXYAQSA-N 487.362 -0.173 50 20 JBGD CN(CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CS(C)(=O)=O)C[C@@H]21)NC(=O)NCc1ccccc1 1789726621 GJHDKKFYVSGGHK-FHWLQOOXSA-N 495.602 -0.643 50 20 JBGD CN(CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCC(=O)N3)C[C@@H]21)NC(=O)NCc1ccccc1 1789726696 NLNZMYUIBRVQIP-MUGJNUQGSA-N 486.573 -0.409 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)[C@H]1CC(c2ccccc2)=NO1 1793280099 WMFWIBFHRXQCLK-GMQQQROESA-N 463.299 -0.237 50 20 JBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=O)c1cccs1)C2 1801009604 RBQHJPMEYXSIRU-HBCWATKFSA-N 451.549 -0.560 50 20 JBGD CN1CCN(CCC(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2ccc(B(O)O)cc2)CC3)CC1 1814577912 IMDHDLYCMCFLQF-QGZVFWFLSA-N 471.392 -0.314 50 20 JBGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1cc(=O)nc3cccnn13)CC2)c1ccc(B(O)O)cc1 1815343645 GRFWBZXBLRPHPM-CQSZACIVSA-N 490.310 -0.235 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(O)nn1)CCO2 1833830693 IFYFXQWWLPHOGG-VSIOZEBNSA-N 471.474 -0.614 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccn3nccc3c1)CCO2 1837162288 XXOGOFFSFJIRKF-QFIPXVFZSA-N 458.519 -0.223 50 20 JBGD CC(=O)O[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1)C(C)C 1837459399 OBXSJVUPKOKNBH-XMSQKQJNSA-N 477.518 -0.657 50 20 JBGD COC[C@H](NC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1837733886 IZIASRJAOIKFIU-HEHGZKQESA-N 454.293 -0.716 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCC(OC2CCN(C(=O)c3c[nH]c(=O)cn3)CC2)CC1 1837921188 JUFQQGWVUIOSQC-UHFFFAOYSA-N 454.292 -0.624 50 20 JBGD O=C(Cn1cnc2ccccc21)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1840101274 FVAVBTHSDWXLKQ-DEOSSOPVSA-N 478.314 -0.514 50 20 JBGD O=C(COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c1ccc(F)cc1)NNC(=O)[C@H]1COc2ccccc2O1 728344849 QTZRNCYJXAJWFZ-JTDSTZFVSA-N 487.440 -0.068 50 20 JBGD CCCn1c(CCC(=O)NNC(=O)C(=O)N2CCCC2)nc2cc(S(N)(=O)=O)ccc21 748246620 DKEOPHZRMHBXSQ-UHFFFAOYSA-N 450.521 -0.204 50 20 JBGD O=C(COC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)NNC(=O)c1cccc(Cl)c1 914657424 WGPNSFYGXGFTNF-TZMCWYRMSA-N 457.892 -0.320 50 20 JBGD O=C(CCNS(=O)(=O)c1ccc2c(c1)OCCCO2)NNC(=O)[C@H]1CCS(=O)(=O)C1 918210495 ZIOLCUKBBFETMS-LBPRGKRZSA-N 461.518 -0.902 50 20 JBGD Cc1cc(C(=O)NCC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C3)no1 1779435547 XRNCEQDOBVJOPG-VGOFRKELSA-N 478.550 -0.400 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@@]2(CCN(C(=O)COc3cccnn3)C2)C1 1784457608 NYWZUMLSAUHXHY-MNQDVBFDSA-N 455.475 -0.181 50 20 JBGD C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1785574741 QMDMPJXIQSVKMS-NTKDMRAZSA-N 485.346 -0.274 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCc4nc[nH]c4C3)C[C@@H]21 1788611231 PIYYXQMECANPJP-CXIBIASBSA-N 467.530 -0.193 50 20 JBGD CN1CCN(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](CCl)NC(=O)OC(C)(C)C)CC1 1793879689 ANMVVHVOSVEISK-ZMMAXQRCSA-N 488.029 -0.045 50 20 JBGD C[C@H](CC(N)=O)C(=O)N1CC[C@H](CNC(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1810295378 SIBNMIKLNGIXTP-ZXYWRSMDSA-N 453.503 -0.089 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1CCN(C(=O)c2c[nH]c(=O)cn2)[C@H]1c1cccnc1 1810302070 FNHWOLMGOSPKCA-LIRRHRJNSA-N 462.470 -0.203 50 20 JBGD N#Cc1ccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)cc1 1829631082 GLOAKAXHOISOBD-RUZDIDTESA-N 477.326 -0.059 50 20 JBGD COCCOCCOCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830738633 RASIUGGECMSOSL-LPHOPBHVSA-N 452.932 -0.888 50 20 JBGD O=C(Cn1cc([N+](=O)[O-])cn1)NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1833785378 PQOKDQNRJFIENJ-UHFFFAOYSA-N 484.322 -0.644 50 20 JBGD CCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)cn1 1833888820 ZMFUWDOTSGDEHN-HSZRJFAPSA-N 453.304 -0.292 50 20 JBGD COc1ccnc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)c1 1835931710 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730558898 WABIFGUPYOFKPL-UHFFFAOYSA-N 468.517 -0.064 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@]2(CCN(C(=O)CCc3nc(N)n[nH]3)C2)C1 1778849067 JLDYMTUSMHOWHM-AFEQLLIESA-N 457.495 -0.717 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cn1ccncc1=O)C2 1779374583 QABHXPQDIDEBQX-VGOFRKELSA-N 469.502 -0.931 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@]2(CN(C(=O)CN(CCO)CCO)CCO2)C1 1780098054 ABXAUPRTKNBYNH-JOCHJYFZSA-N 494.501 -0.750 50 20 JBGD CC(C)(C)OC(=O)N1CCN(CC(=O)N2CC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)C(=O)C1 1785667130 NRTDAHXMIPLWRS-QVKFZJNVSA-N 488.969 -0.505 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc4ncccn4n3)C[C@@H]21 1787509091 RRNNRDLCOSQIHL-AGJPEOOQSA-N 479.501 -0.148 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccccc3C(N)=O)[C@H]2C1 1790130582 MUYJPEKNOPIEPD-AGRHKRQWSA-N 466.498 -0.309 50 20 JBGD COc1cc(N2CCC(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)[C@H](O)CCl)CC2)ncn1 1792975620 WOJYJTPXEQIGEW-YYAJDYIMSA-N 467.954 -0.109 50 20 JBGD CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(B(O)O)c1)C2 1793011138 ZILGUYGJYHYZLH-XMTFNYHQSA-N 461.324 -0.496 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1COc3ccccc3O1)C2)c1cccc(B(O)O)c1 1795737267 MXDRILDTIOLXCI-GQSCTRQFSA-N 452.272 -0.590 50 20 JBGD CC(C)(C)OC(=O)N1CC2(C[C@H]2C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)C1 1795740777 LZRBQBJOCWSWNZ-HNJRGHQBSA-N 499.373 -0.173 50 20 JBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCC(=O)N1C(=O)OC(C)(C)C)C2 1801012070 AJCQAFKOMRDTLJ-QOIOWGMHSA-N 495.577 -0.125 50 20 JBGD CN1CCN(CCC(=O)N2CC[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)CC1 1807371494 VQQTVDSEGLMNNB-XUZZJYLKSA-N 479.390 -0.282 50 20 JBGD CN(C)C(=O)NCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cnccc2C(=O)NN)n[nH]1 1819400993 ZWFHYECBLNJYBL-OAHLLOKOSA-N 457.495 -0.015 50 20 JBGD Cc1cn(CC(=O)Nc2nc3c(s2)C[C@@H](NC(=O)CCC(=O)NN(C)C)CC3)c(=O)nc1O 1827994151 IDLNOJBQFRROQV-LBPRGKRZSA-N 477.547 -0.301 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)C(C)(C)C)CCO2 1830622614 HUBSSTHXXQONFW-OJAHUALRSA-N 463.535 -0.016 50 20 JBGD C[C@](Cl)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)CCN3C(=O)C=CC3=O)CCO2)C1 1832026987 WFNBEWFYZAGCLE-RBUKOAKNSA-N 462.330 -0.006 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCCN1C)CCO2 1832060752 SCWZZDVBGQLBEF-OOMZYFKXSA-N 460.535 -0.329 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@](C)(O)C(F)(F)F)CCO2 1832157296 WOQVLLLLMVFVED-TXCGGMSCSA-N 489.451 -0.110 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3cc(F)ccn3)CCO2)C1 1832850950 VAAQUFXSLYKUAZ-HSZRJFAPSA-N 486.504 -0.078 50 20 JBGD O=C(C[C@H]1NC(=O)NC1=O)NC1CCN(C2CCN(C(=O)[C@H](F)Br)CC2)CC1 1833765763 JGFORMFTAHHYLX-OCCSQVGLSA-N 462.320 -0.153 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccnnc1)CCO2 1834026703 UAUNWZZAPSUHKI-XAOCGEIJSA-N 455.475 -0.319 50 20 JBGD Cc1noc(N)c1C(=O)NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834698377 PGMAXWRXODFTOZ-UHFFFAOYSA-N 455.324 -0.256 50 20 JBGD CN1CCN(C2(C(=O)N3CCC(N4CCC(NC(=O)c5ccc(B(O)O)cc5)CC4)CC3)CC2)CC1 1834798370 MUWDQIQIYJKUKV-UHFFFAOYSA-N 497.449 -0.668 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)c3c(F)ccnc3Cl)C2)C1 1835935452 UACTWTBOWRPLFQ-OAQYLSRUSA-N 477.685 -0.062 50 20 JBGD N#Cc1cc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)ccc1F 1835939636 WOHOWFYWBAOZSA-DEOSSOPVSA-N 481.289 -0.310 50 20 JBGD O=C(CN1CCOC1=O)N1CCC(OC2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1836786779 PZAQRKKKYXAENF-UHFFFAOYSA-N 459.308 -0.569 50 20 JBGD C[C@@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3nc(N)n[nH]3)CCO2)C1 1837268359 KDYDVWOHGUCUOP-YVEFUNNKSA-N 459.345 -0.193 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)C[C@@H]3CCCCO3)C2)C1 1837456206 KULSRDWVIBQYLY-AOMKIAJQSA-N 461.519 -0.286 50 20 JBGD O=C(/C=C/C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1)NCc1ccco1 1837633157 GRXTVHZNKBRUPQ-ZLSGJYCMSA-N 455.895 -0.492 50 20 JBGD CC[C@H](Br)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](COC)NC(C)=O)CCO2 1837735845 BAISKDOZILWWKX-MPGHIAIKSA-N 464.357 -0.233 50 20 JBGD CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](F)Br)CCO2)C1 1839203673 RQBDIUSNABSNNO-RVKKMQEKSA-N 490.330 -0.396 50 20 JBGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=O)c3cccnc3)C2)C1 1840150574 NUBSRMWXFWEZFH-UZLBHIALSA-N 454.911 -0.478 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(-n4cnnc4)cc3)C2)C1 1840184223 XFMBGXISIGPCCR-QHCPKHFHSA-N 485.545 -0.290 50 20 JBGD CC(C)(C)OC(=O)N[C@H](CCN)C(=O)N1CCCC12CN(C(=O)c1cccc(B(O)O)c1)C2 1842911400 DELIDCVABZKQKO-QGZVFWFLSA-N 460.340 -0.575 50 20 JBGD CC(=O)N1CCC(N2CCC(C(=O)N3CCCC34CN(C(=O)c3cccc(B(O)O)c3)C4)CC2)CC1 1843952056 UTHODKUHDVQLKP-UHFFFAOYSA-N 496.417 -0.094 50 20 JBGD COc1ccccc1C(=O)N1CC(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2ccc(B(O)O)cc2)C1 1847455448 PKOQYLKIIPAEJL-SFTDATJTSA-N 477.326 -0.037 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CO)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](O)CCl)C2 1777963871 UFDLASSTFRLAQF-LYKCQVCGSA-N 463.959 -0.014 50 20 JBGD CCOC(=O)c1cc(C(=O)N2CC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)ccn1 1780319837 RJMPSSGYZVHLAX-HSZRJFAPSA-N 467.287 -0.305 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ncn(-c4cccc(F)c4)n3)C[C@@H]21)c1cccc(B(O)O)c1 1786984608 RKTZGWUGGNFSNU-NDXORKPFSA-N 493.304 -0.007 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnc(O)nc3O)[C@H]2C1 1787431828 ATIHWXZXTFOUEM-LTTOZXGBSA-N 471.474 -0.385 50 20 JBGD O=C1CSc2ncc(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)c5ccc(B(O)O)cc5)C[C@@H]43)cc2N1 1790454367 NEVSOSFYZUIKEN-FNHZYXHNSA-N 496.354 -0.287 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CC(c3ccccc3)=NN1)C2)c1cccc(B(O)O)c1 1795741307 SWWUZIODYAHETL-UDKICSLYSA-N 462.315 -0.664 50 20 JBGD CC(C)(C)c1cnc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)cn1 1796757685 HHOLWBWFFGEMFT-CWPLJXCYSA-N 452.320 -0.029 50 20 JBGD Cc1cc2nnc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)CCC(=O)NN(C)C)C4)c(C)n2n1 1796926326 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COC[C@@H](NC(C)=O)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1 1817477047 XKAOYGGLPYOCJS-MSOLQXFVSA-N 457.296 -0.454 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cn2ccncc2=O)n[nH]1 1821657150 ZUKXDVKKDCAZEH-MRXNPFEDSA-N 465.474 -0.029 50 20 JBGD NCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1828956957 UEGRKXMJACZIEX-XMMPIXPASA-N 480.330 -0.609 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)c3cnc(Cl)s3)C2)C1 1835938191 PKESFRCTKYDNOG-IBGZPJMESA-N 465.724 -0.140 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@]2(COCCN(C(=O)CS(C)(=O)=O)C2)C1 1838528222 LYDNSEFUELNWMZ-FQEVSTJZSA-N 499.498 -0.365 50 20 JBGD CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1839203370 JRPBTGMOWZCUEU-MDOVXXIYSA-N 479.958 -0.682 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)c1c(F)ccc(O)c1F)CCO2 1839411062 SXQKKJQOKIXBCG-QFIPXVFZSA-N 476.241 -0.266 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc3ncccc3[nH]1)CCO2 1839491807 BJDXFDPRUVDGLZ-HSZRJFAPSA-N 464.287 -0.374 50 20 JBGD C[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4n(n3)CCCNC4=O)C2)C1 1840033754 PBSNRIJDJQLSEQ-YJYMSZOUSA-N 484.351 -0.130 50 20 JBGD CC(=O)Nc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)o1 1779032193 LOGUBHDKYIFMFA-NRFANRHFSA-N 456.459 -0.006 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(CCN(C(=O)/C=C/C(=O)NCc3ccco3)C2)C1 1779206816 GCLHZCPKVCSQJE-OSFWOZTASA-N 482.497 -0.406 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cnc(O)nc1O)C2 1779373151 HJXJEAOAAIHIOW-QVKFZJNVSA-N 471.474 -0.672 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@]2(CCN(C(=O)CN(CCO)CCO)C2)C1 1783258498 VGNKDLOJCUSWLH-QFIPXVFZSA-N 494.501 -0.750 50 20 JBGD CS(=O)(=O)c1cncc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)c1 1786984451 HTGGNKSOJKOTJX-YSSFQJQWSA-N 487.343 -0.928 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](F)Br)C[C@@H]21)c1cc(=O)n2[nH]nnc2n1 1787270925 ZEWISOULQXBEDA-ZQCZZBHPSA-N 458.248 -0.904 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(=O)n4[nH]cnc4n3)C[C@@H]21 1787508706 HBEHEVZUSRBETE-PVBUHRSCSA-N 495.500 -0.855 50 20 JBGD CCOC(=O)C1(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cnccc4C(=O)NN)[C@H]3C2)CC1 1788609684 AMQCIYYGFHBFQQ-JQFCIGGWSA-N 459.503 -0.378 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](N)CCC(N)=O)C[C@@H]21 1789222356 VAMQRKTWBOHMMZ-UHEFJODHSA-N 491.501 -0.294 50 20 JBGD COC(=O)[C@@H]1CC[C@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]3C2)C1 1791288029 OSEKOWGFFNYCFB-ADHGMGHFSA-N 452.552 -0.072 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCC(=O)N1)C2 1793881185 UFOJQAXUXKDWFY-RGHULWKBSA-N 458.943 -0.013 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)c2cc(=O)n3[nH]cnc3n2)[C@H]1c1cccnc1 1807359400 UGNFVEBHZJQBCK-MGPUTAFESA-N 481.517 -0.495 50 20 JBGD COC[C@H](NC(C)=O)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cnccc2C(=O)NN)[nH]n1 1819611363 YGMJAKVDEHTFIM-IRXDYDNUSA-N 472.506 -0.135 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1)c1ccc(CO)o1 1835927310 CSMDGHQGSWTWNO-UHFFFAOYSA-N 455.320 -0.049 50 20 JBGD O=C(c1ccnc(Cl)c1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835929528 UIANDAXXYARQFV-NRFANRHFSA-N 459.695 -0.201 50 20 JBGD CC(=O)O[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1)C(C)C 1835930557 NBEBILYKMRJSKK-KNQAVFIVSA-N 462.308 -0.976 50 20 JBGD O=C(C1=NO[C@@H](c2ccccc2)C1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835936732 ADNDGBCDXJLFBP-RDGATRHJSA-N 493.325 -0.046 50 20 JBGD O=C(CS[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835938231 RJKBBCCUCWFHSE-IFMALSPDSA-N 478.376 -0.304 50 20 JBGD Cc1ccnc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)c1 1837457575 JSBYSHMTPVPICN-QFIPXVFZSA-N 454.487 -0.228 50 20 JBGD CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1 1837499752 QTFRKWUHSXYYOP-YLJYHZDGSA-N 474.583 -0.211 50 20 JBGD CCCC(=O)N[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1837679937 XQFKADXRFNFORS-KKSFZXQISA-N 455.556 -0.879 50 20 JBGD CCc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)nn1C 1838279853 XDSGUPONKPWKTA-OAQYLSRUSA-N 450.540 -0.575 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)CN(C)C(=O)OC(C)(C)C)C2)C1 1840183937 IUXNWTQMXJBJEE-QFIPXVFZSA-N 485.582 -0.317 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(C(N)=O)cc1)CCO2 1840646909 BCEBFMJBQYPYMZ-UJBXUPAJSA-N 496.524 -0.011 50 20 JBGD O=C(c1ncn2nc(N3CCOCC3)ccc12)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843011132 UZOJWTMNIRFBDH-UHFFFAOYSA-N 490.329 -0.624 50 20 JBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NCCNS(=O)(=O)c2ccccc2)cc1 916295907 ZJBWVOMLIDHWEH-UHFFFAOYSA-N 483.572 -0.076 50 20 JBGD CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)cc1 919889603 PQHYEFLSYOYERR-RDJZCZTQSA-N 486.572 -0.050 50 20 JBGD Cc1ccc(=O)n(C(C)(C)C(=O)N2CC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)n1 1779234226 CTFPJFKCJQESSU-HSZRJFAPSA-N 468.319 -0.890 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(CO)on1)C2 1779374549 OEFUAMJVYFFNRT-DYESRHJHSA-N 458.475 -0.393 50 20 JBGD CN(CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc(O)nc(O)n1)CCO2)NC(=O)NCc1ccccc1 1780969976 PNTVZWNTDQWSOG-QHCPKHFHSA-N 499.528 -0.323 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](O)NC(=O)OC(C)(C)C)C1 1781050083 WJSFNMCJMZILLE-QOEFQVSFSA-N 485.582 -0.284 50 20 JBGD O=C1CN(c2cccc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]4C3)n2)CCCN1 1784087040 WJFFFVXEKZWCDH-LAQRGFTBSA-N 479.965 -0.399 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21)c1ccc(B(O)O)cc1 1786979625 FFSHPNJOHZPSTI-NWYPOARBSA-N 459.308 -0.511 50 20 JBGD CC(C)c1nc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)no1 1794001621 MVNRJYLVIYWASJ-IVWMJMPLSA-N 457.491 -0.363 50 20 JBGD CN(C)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797749495 BGVVJJCABUTNTB-HBCWATKFSA-N 453.503 -0.337 50 20 JBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccn(C(F)F)c1=O)C2 1797751536 DSZWXQWWEQHLHT-DRXBFXEBSA-N 476.440 -0.241 50 20 JBGD CN(C)NC(=O)CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CSCN1C(=O)[C@@H]1CCC(=O)N1 1801447210 KZIHODDJPQENLN-BQJWPVKWSA-N 494.618 -0.822 50 20 JBGD CN1N=C(C(=O)N2CC[C@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)CCC1=O 1807362216 JWROJAJVDCBVJF-DYESRHJHSA-N 463.303 -0.311 50 20 JBGD C[C@](O)(CC(=O)O)CC(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807368624 WGUVGATYVFPROG-JWNTYJGQSA-N 469.303 -0.303 50 20 JBGD CNC(=S)NCCC(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807375795 QEHJPCCYQOYQDG-YLJYHZDGSA-N 469.376 -0.435 50 20 JBGD C[C@H](C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cccc(B(O)O)c1)CC2)[C@@H]1SC(=N)NC1=O 1817248424 BMXOZOXTHYKTBF-FMSQNYNMSA-N 487.372 -0.149 50 20 JBGD Cn1c(=O)n(C)c2cc(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)[C@H](O)CCl)CCO4)ccc21 1830727790 FHAXRKQGAYALNP-DYESRHJHSA-N 466.922 -0.453 50 20 JBGD CS(=O)(=O)c1cncc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)c1 1833396197 GQHHFXGERNYAHS-MAUKXSAKSA-N 461.924 -0.845 50 20 JBGD O=C(C[C@H]1NC(=O)NC1=O)NC1CCN(C2CCN(C(=O)[C@@H](F)Br)CC2)CC1 1833765769 JGFORMFTAHHYLX-TZMCWYRMSA-N 462.320 -0.153 50 20 JBGD O=C(c1ccn2nccc2c1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835930474 JCTTWOXOKUZDTA-HSZRJFAPSA-N 464.287 -0.602 50 20 JBGD Cc1nn(C)c(C)c1CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835933666 GEBSKKAYDUGXFX-HSZRJFAPSA-N 470.335 -0.971 50 20 JBGD Cc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)cc1O 1835939347 NDNJWEVJLFMYGK-QHCPKHFHSA-N 454.288 -0.236 50 20 JBGD O=C(CSc1ncccn1)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1836112782 PVDMRHLWLFVJEW-NRFANRHFSA-N 472.332 -0.981 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4nccn4c3)C2)C1 1837459170 KYQBHQMRSRHSIH-HSZRJFAPSA-N 479.497 -0.283 50 20 JBGD C[C@@H](Cn1ccnc1)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837461501 WCSSXCHEAFHGCM-KSFYIVLOSA-N 471.518 -0.712 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCC(OC2CCN(C(=O)CCc3nc(N)n[nH]3)CC2)CC1 1838368210 YVLBOSSXTNMKNL-UHFFFAOYSA-N 485.549 -0.370 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(CN(C(=O)CC34CCCN3CCC4)CCO2)C1 1839117713 CDWQRKDKYGMSNE-XMMPIXPASA-N 486.573 -0.226 50 20 JBGD CC[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)CNCP(=O)(O)O)C2)C1 1839963221 DXBLQWNTVQWKTF-DOMZBBRYSA-N 472.273 -0.659 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)C1 1840184897 CAYGORQCMKLBGP-IBGZPJMESA-N 452.468 -0.634 50 20 JBGD O=C(NCCS(=O)(=O)N1CCOCC1)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 748111912 SQLWGDRNTADOHV-UHFFFAOYSA-N 489.576 -0.923 50 20 JBGD Cc1ccn2c(=O)c(C(=O)N3CC[C@@]4(CN(C(=O)c5cnccc5C(=O)NN)CCO4)C3)cnc2c1 1777994296 GORSEQMWCJLFIR-DEOSSOPVSA-N 491.508 -0.241 50 20 JBGD COC(=O)c1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)cn1 1779030527 RVAQTELBIUTOGR-JOCHJYFZSA-N 468.470 -0.376 50 20 JBGD O=C(CN(CCO)CCO)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](F)Br)C2 1781838411 GBOWAMSQEPGUTC-UKPHBRMFSA-N 454.337 -0.523 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cccc(S(C)(=O)=O)c1)CCO2 1783932959 MXOMRLDQUHOSQR-NRFANRHFSA-N 466.560 -0.093 50 20 JBGD C[C@@H](NC(=O)c1ccc(F)cc1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786984786 JSBVJYDBYMXTLA-VPPRVIDZSA-N 497.332 -0.083 50 20 JBGD CCOC(=O)[C@@H]1CCC[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)C1 1795732989 WRZBUWRWDZEZMB-XQPJFTJZSA-N 472.347 -0.061 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1ccc([N+](=O)[O-])cc1F 1799491342 IAGDTOZBTXFJKY-HBCWATKFSA-N 457.223 -0.069 50 20 JBGD CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)c3ccc(B(O)O)cc3)C4)[C@@H]2C1 1800718223 NFWLYUAKHBBQTJ-MHDMWBPOSA-N 499.373 -0.318 50 20 JBGD C[C@H](CC(N)=O)C(=O)NC[C@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1803666826 LXOVFQCYPWXHMN-MUKKUYKPSA-N 453.503 -0.089 50 20 JBGD NCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1828956956 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O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc3ncncc3c1)CCO2 1837023730 YVRFZVAFSAVIKL-XMMPIXPASA-N 476.298 -0.307 50 20 JBGD CC(=O)OC[C@H](OC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)Br)C2)C1 1837502346 KGZRYZNUACOCBZ-MRAWALMUSA-N 479.324 -0.279 50 20 JBGD O=C(c1cc(=O)nc2cccnn12)N1CCOC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839200105 DYYJKUKYQGDIDC-YJBOKZPZSA-N 484.282 -0.150 50 20 JBGD Cn1nc2c(c1C(=O)N1CCO[C@@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C1)CCC2 1839582365 BSZRAXGVXGBOFU-HSZRJFAPSA-N 483.529 -0.709 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn4ccncc34)C2)C1 1840184470 PCNXMDKJINYDMJ-OAQYLSRUSA-N 459.507 -0.828 50 20 JBGD CC[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cc(C)c(O)nc3=O)CCO2)C1 1840808092 JKFMQFNBQDABSC-IFXJQAMLSA-N 487.351 -0.113 50 20 JBGD COCCOCCOCCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2 1782061663 FKPOWVPTVTWVGL-ZJSXRUAMSA-N 492.378 -0.436 50 20 JBGD O=C(NC1(c2ccc(NC(=O)[C@H](O)N3CCOCC3)cc2)CCC1)c1cccc(B(O)O)c1 1789554554 JLDMRAUOAMXTFT-QFIPXVFZSA-N 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CC(C)(CCl)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCS(=O)(=O)CC3)CCO2)C1 1832483073 FIJMLKBNOUCEDT-IBGZPJMESA-N 466.000 -0.562 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)c3nccc4[nH]ccc34)C2)C1 1835928707 WDGJIXXDZXZWRC-QHCPKHFHSA-N 464.287 -0.374 50 20 JBGD O=C(C[C@H]1CNc2ccccc2O1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835930254 FUDVSMYUERXKPE-CPJSRVTESA-N 495.341 -0.300 50 20 JBGD O=C(c1ccc2ncncc2c1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835936933 KJFQTWZWCILGIL-XMMPIXPASA-N 476.298 -0.307 50 20 JBGD O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835939298 LINNOTWZSXAPLJ-JOCHJYFZSA-N 485.258 -0.636 50 20 JBGD N#Cc1cc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)ccc1F 1835939638 WOHOWFYWBAOZSA-XMMPIXPASA-N 481.289 -0.310 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3Cc4ccccc4N3)C2)C1 1835939898 NEJXEADKRLEBGG-URXFXBBRSA-N 465.315 -0.527 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)CN3CCS(=O)(=O)CC3)CC2)CC1)[C@@H](F)Br 1836414173 XJGNIHFHIXJKBN-QGZVFWFLSA-N 497.431 -0.021 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C4CC4)on3)C2)C1 1837455638 BKBODXZXDDLXFZ-QFIPXVFZSA-N 470.486 -0.066 50 20 JBGD O=C(CCCc1cccnc1)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1840511004 NBAQZERXKDXERH-XMMPIXPASA-N 467.331 -0.146 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)CCO2 1783934355 FEBCAFXSFFHCML-ZHRRBRCNSA-N 485.582 -0.535 50 20 JBGD C[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1)n1ccccc1=O 1786980983 ICAPIHRTKPKBQA-UHMOLFJZSA-N 453.304 -0.617 50 20 JBGD CN(C)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786984441 GTZSZGCXKXCPDG-LRQRDZAKSA-N 452.320 -0.266 50 20 JBGD NC[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1)c1ccccc1 1786984504 NBAOARLQPJHLRD-FKVLARQCSA-N 451.332 -0.298 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C[C@@H]21 1791293939 PYNAVEYLRUTZKZ-ZOBUZTSGSA-N 478.506 -0.891 50 20 JBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](CCO)NC(=O)OC(C)(C)C 1793087385 CCLZUOBFSPMEBG-YYAJDYIMSA-N 485.582 -0.775 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCSCC1)C2 1796439814 CSQDBSIOPBYJPA-GWGBFROSSA-N 462.576 -0.241 50 20 JBGD COc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)cc1NC(C)=O 1798608842 HZGNZJCCDDQFBI-OPMZPASUSA-N 481.314 -0.150 50 20 JBGD COc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(=O)NN(C)C)C3)c(O)c1OC 1799665037 HVUBFLCCIUMYMU-HBCWATKFSA-N 464.519 -0.014 50 20 JBGD CCS(=O)(=O)N[C@H](C)C(=O)N1CCCC2(CCN(C(=O)CCC(=O)NN(C)C)CC2)C1 1805959314 BLZIUZSBTNNROJ-MRXNPFEDSA-N 459.613 -0.082 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1CCN(C(=O)c2cnc(O)nc2O)[C@H]1c1cccnc1 1810301579 ABUDYUDWYVJMDJ-GUYCJALGSA-N 478.469 -0.085 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1CCN(C(=O)COc2ccc(O)nn2)[C@H]1c1cccnc1 1810304887 GZNODVPPYPETBC-BTYIYWSLSA-N 492.496 -0.026 50 20 JBGD O=C(CSc1nc[nH]n1)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1813345435 LXASZKURIDYDSE-VQIMIIECSA-N 466.332 -0.009 50 20 JBGD C[C@H](CS(C)(=O)=O)C(=O)N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815350393 UPFCPEOHBXWNLI-RISCZKNCSA-N 465.362 -0.271 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(Cl)nc1F)CCO2 1833264142 AZPULUZJNVVXCV-OAQYLSRUSA-N 477.685 -0.062 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnn(C)c1)CCO2 1834171766 QRNRWMRXAYUAGL-MNQDVBFDSA-N 457.491 -0.376 50 20 JBGD CC[C@H](C)[C@@H](N)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C2)C1 1835595345 QGLQHFWKYVTFTH-MDRVXTDVSA-N 462.551 -0.050 50 20 JBGD C[C@H](Cn1cncn1)C(=O)NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1835808957 WJOBIVWJHLIPKA-QGZVFWFLSA-N 468.367 -0.521 50 20 JBGD COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)c1 1835931628 UGHNOIHGJKPSGX-XMMPIXPASA-N 479.298 -0.370 50 20 JBGD CC(=O)N1CCN(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)CBr)C3)C2)CC1 1836764645 QCLUMCMIFYHBRN-OXJNMPFZSA-N 489.411 -0.362 50 20 JBGD O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1837489900 YDMZEECDNRCDME-DEOSSOPVSA-N 470.331 -0.865 50 20 JBGD CC(=O)N1CCN(CC(=O)N2CCOC[C@]3(CN(C(=O)CO[Si](C)(C)C)CCO3)C2)CC1 1837713245 QSGDNERCAVSOGE-OAQYLSRUSA-N 470.643 -0.542 50 20 JBGD CCc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)n(C)n1 1838042324 UNQURTQJPPELAX-JOCHJYFZSA-N 456.308 -0.954 50 20 JBGD Cc1n[nH]c(C)c1CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1839240316 VKHNCEJUXZZJME-JOCHJYFZSA-N 456.308 -0.981 50 20 JBGD CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCO[C@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1840371815 DAUSVFHONOJZLM-RDTXWAMCSA-N 462.334 -0.283 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)C1Cc3ccccc3C1)CCO2 1840942622 JCYPPLUUFOEBQH-VWLOTQADSA-N 464.327 -0.149 50 20 JBGD CC(C)(C)OC(=O)N1CCOC[C@@H]1C(=O)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843010385 KKRUARXORVUSCE-GOSISDBHSA-N 473.335 -0.181 50 20 JBGD CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N2CCCC23CN(C(=O)c2ccc(B(O)O)cc2)C3)C1 1846411044 COXLVBLJZABTEA-HSZRJFAPSA-N 473.335 -0.445 50 20 JBGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)NCCS(=O)(=O)NC(C)C)c1 746972480 JXGOTABKKAFGEJ-UHFFFAOYSA-N 463.582 -0.011 50 20 JBGD O=C(COC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)NNC(=O)[C@@H]1COc2ccccc2O1 821692604 LFCFAISOBFMLKC-HNNXBMFYSA-N 474.451 -0.744 50 20 JBGD COc1cc2c(cc1OC)[C@H](CC(=O)NNC(=O)NCC(=O)N(C)C)N(S(C)(=O)=O)CC2 915913314 MQKBUDUUNOFCOY-AWEZNQCLSA-N 471.536 -0.629 50 20 JBGD CCS(=O)(=O)N1CCC[C@@H](C(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)C1 918552181 OSTQQBHFMBYPTB-OAHLLOKOSA-N 460.578 -0.175 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1CCc3nc(O)nc(O)c3C1)CCO2 1779028341 JNZOMKSGDRAYIJ-NPMABZOXSA-N 497.512 -0.865 50 20 JBGD COc1ccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cccc(B(O)O)c2)C3)nn1 1779951404 QMZUYZXZKGYRBJ-XMSQKQJNSA-N 454.292 -0.394 50 20 JBGD NC(=O)c1ccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cccc(B(O)O)c2)C3)cc1 1782864062 UBKDPJNGLUZTFO-HYBUGGRVSA-N 465.315 -0.093 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CC(=O)N(C4CCCC4)C3)C[C@@H]21)c1cccc(B(O)O)c1 1786982728 GERYKEWTCLXEFG-UDKICSLYSA-N 483.374 -0.249 50 20 JBGD CN(C)C(=O)c1cccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)c1 1792100165 JJMLKNCBHZTXIG-BVSLBCMMSA-N 479.342 -0.025 50 20 JBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1)c1n[nH]c2c1CS(=O)(=O)C2 1796191206 LFNTWJHQHMBDGL-QDMKHBRRSA-N 458.305 -0.917 50 20 JBGD O=C(N[C@@H]1CCc2nc(NC(=O)c3cc4n(n3)CCCNC4=O)sc2C1)c1ccc(B(O)O)cc1 1818913269 IKLXHEJYXMYAAP-CQSZACIVSA-N 494.342 -0.308 50 20 JBGD O=C1NC(=O)[C@H](CC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(B(O)O)cc3)CC2)N1 1827050667 SWJOWOADSCHIQN-ROUUACIJSA-N 456.308 -0.802 50 20 JBGD Cc1cn(CC(=O)Nc2nc3c(s2)C[C@H](NC(=O)CCC(=O)NN(C)C)CC3)c(=O)nc1O 1827994150 IDLNOJBQFRROQV-GFCCVEGCSA-N 477.547 -0.301 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)CN2CC(=O)NC2=O)CC1 1828923638 QNZZTLQCHRFXRJ-KRWDZBQOSA-N 471.518 -0.530 50 20 JBGD O=C(CCBr)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCCS3(=O)=O)C2)C1 1834825510 ZIASLQLLSFHDMY-CJNGLKHVSA-N 453.355 -0.195 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCC(N2CCC(NC(=O)C3=NNC(=O)C3)CC2)CC1 1835701836 RTHKVMGMXCUMEF-AFUMVMLFSA-N 470.534 -0.432 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)c3cn4ccccc4n3)C2)C1 1835928583 RWBJVBUIEGTNEP-QHCPKHFHSA-N 464.287 -0.602 50 20 JBGD CC(=O)Nc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)o1 1835930792 ZSIQCZDKYSFYNT-JOCHJYFZSA-N 471.275 -0.698 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)c3cc(Cl)ncn3)C2)C1 1835938109 LZVHMADKFUJIRA-FQEVSTJZSA-N 460.683 -0.806 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cccnc3)CCO2)C1 1836158559 MCZIVZVEYDYOBU-JOCHJYFZSA-N 454.487 -0.607 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1n[nH]c3ccccc13)CCO2 1836940812 FZXQUCOPGRAYIV-QHCPKHFHSA-N 479.497 -0.055 50 20 JBGD C[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccc(O)nn3)C2)C1 1840035515 USJGORQWSRBWIC-PXAZEXFGSA-N 459.297 -0.199 50 20 JBGD COC(=O)[C@@H]1CCC[C@@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)C1 1840145636 MLCVXSXSENLKHL-KHCICDEESA-N 488.346 -0.584 50 20 JBGD COc1ncccc1CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCC(=O)NN(C)C)CCO2 1840182612 OFYOUUKHAVKJGJ-HSZRJFAPSA-N 477.562 -0.148 50 20 JBGD O=C(CCCc1cccnc1)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1840511206 ZUVULQGSUUGQID-XMMPIXPASA-N 467.331 -0.146 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC2(CCCN2C(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)C1 1841432149 GTRBYVJIBSHZCK-OAHLLOKOSA-N 455.556 -0.162 50 20 JBGD Cc1nc2nc(N)nn2c(C)c1CCC(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 16594113 QUZJXRBUIZMGNS-UHFFFAOYSA-N 460.520 -0.033 50 20 JBGD O=C(NNS(=O)(=O)c1ccc(Br)c(C(=O)O)c1)N[C@H]1CCS(=O)(=O)C1 919960822 ITLBJFKCJUUGST-ZETCQYMHSA-N 456.296 -0.173 50 20 JBGD CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2C(=O)N1CC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1783499848 JNZJVDIPODGXJG-GFTAFNIFSA-N 499.373 -0.077 50 20 JBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(-n2cnnc2)cc1 1795494141 JKAPSALZYJQITO-UPHUGPLXSA-N 455.519 -0.157 50 20 JBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(C(=O)N(C)C)c1 1801916592 WEGQOEIQGQYPQX-RMFSNUHRSA-N 459.547 -0.035 50 20 JBGD CCS(=O)(=O)CC(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807364443 ILFXXSHKJREPIT-XLIONFOSSA-N 459.333 -0.484 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](O)N2CCOCC2)CC1 1828974121 PVLGISXRTCHJQN-GHTZIAJQSA-N 453.584 -0.370 50 20 JBGD COC[C@@H](NC(C)=O)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(B(O)O)c2)CC1 1829112948 HFTIVKUMZABUON-RTWAWAEBSA-N 459.352 -0.249 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCC(N2CCC(NC(=O)CCN3C(=O)C=CC3=O)CC2)CC1 1833615004 STWYHCBNFUMSSU-UHFFFAOYSA-N 497.556 -0.815 50 20 JBGD C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)c3cccc(B(O)O)c3)CC2)CC1 1834800601 QTTICKKUKMVLFM-SREVYHEPSA-N 468.363 -0.590 50 20 JBGD O=C(CCBr)N1CCO[C@]2(COCCN(C(=O)CNC(=O)C(F)(F)F)C2)C1 1834826382 NBAWPUJLNCNKFT-CQSZACIVSA-N 460.247 -0.094 50 20 JBGD N=C(N)SCCC(=O)N1CCC(N2CCC(NC(=O)c3cnccc3C(=O)NN)CC2)CC1 1835736806 IJVRDQYMTLLBRN-UHFFFAOYSA-N 476.607 -0.113 50 20 JBGD CCNC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1837381125 NGBNUACPIZWGPF-BFQNTYOBSA-N 453.309 -0.159 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc4ccccc4[nH]3)C2)C1 1837458797 CYNAZWJECUYCPS-HSZRJFAPSA-N 479.497 -0.055 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1nnc(-c3ccccc3)o1)CCO2 1837535820 OHDCCFZWLMNLFA-XMMPIXPASA-N 492.297 -0.200 50 20 JBGD O=C(c1nc2ncccn2n1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839200373 HFZBTHIFUUXCMZ-BDJLRTHQSA-N 457.260 -0.115 50 20 JBGD O=C1CN(c2cccc(C(=O)N3CCCC34CN(C(=O)c3cccc(B(O)O)c3)C4)n2)CCCN1 1842304757 KANSWJJTCDVFEU-UHFFFAOYSA-N 477.330 -0.782 50 20 JBGD COC(=O)[C@@H](CC(=O)N1CCCC12CN(C(=O)c1ccc(B(O)O)cc1)C2)NC(=O)OC(C)(C)C 1846304499 TZEVXOHCBPEJQP-QGZVFWFLSA-N 489.334 -0.360 50 20 JBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)CN(C)[C@H]3CCS(=O)(=O)C3)cc2)CC1 728214937 VDKSPXCGALLPOU-INIZCTEOSA-N 459.594 -0.815 50 20 JBGD CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)NNC(=O)COc2ccccc2O)c1 730837404 YJQKEDKKJFJZFK-UHFFFAOYSA-N 450.473 -0.401 50 20 JBGD Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)CCC(=O)NNC(=O)CN3CCCC3=O)CC2)c1 789857469 HCCOCENJLOUBPA-UHFFFAOYSA-N 493.586 -0.314 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](C)n1cnnn1)C2 1778094254 DOYQEKLKNPKEHR-KJGJOIRFSA-N 471.522 -0.118 50 20 JBGD C[C@@H](Oc1cccnc1)C(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779034775 UULJGXZYRHGRRA-QRQCRPRQSA-N 454.487 -0.009 50 20 JBGD CC[C@H](NC(N)=O)C(=O)N1CCO[C@]2(CCN(C(=O)CN(C)NC(=O)NCc3ccccc3)C2)C1 1780969417 GLSYAJQOHAJMCY-MBSDFSHPSA-N 489.577 -0.391 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1785507747 VETWMBNGCXIEPW-KFVKGYIZSA-N 483.481 -0.041 50 20 JBGD Cn1c(=O)n(C)c2cc(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)c5ccc(B(O)O)cc5)C[C@@H]43)ccc21 1787959865 RACOAMIRBYIGDN-JLMWRMLUSA-N 492.341 -0.536 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CSc3nc[nH]n3)C[C@@H]21 1788610880 CRTUTMLDFSHMHD-CQDKDKBSSA-N 460.520 -0.811 50 20 JBGD COCCOCCOCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1791134634 RDYLMMJOKONQCU-JBACZVJFSA-N 478.351 -0.971 50 20 JBGD CC(C)(C)OC(=O)N1CC[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](O)CCl)C3)[C@@H](O)C1 1792449530 GQURXQOVUTYRFN-NEXGVSGLSA-N 475.970 -0.206 50 20 JBGD CN1Cc2ccccc2C[C@@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1793829852 VLMIIICJAPNBAJ-IRMYBRCSSA-N 463.343 -0.374 50 20 JBGD CS(=O)(=O)c1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)c1 1795732638 FQXUTVYDEMVSOJ-XEMDLRDOSA-N 472.328 -0.713 50 20 JBGD N[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1)c1cccc(Cl)c1 1795737489 NIGVXJRDPPYRGE-JSJNYSNDSA-N 457.723 -0.077 50 20 JBGD CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C(C)=N/NC(=O)c1ccc[nH]1 1796446414 VLALCBWZBMMKLS-VZBPNTPVSA-N 498.544 -0.820 50 20 JBGD CC(C)(C)OC(=O)N1C[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](O)CCl)C3)[C@@H](O)C1 1799197242 WNWQBBSRETZADW-AYCBFJCHSA-N 461.943 -0.597 50 20 JBGD CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2 1802084418 IOXOYEJVMAVWCB-AICCOOGYSA-N 477.942 -0.368 50 20 JBGD CC(C)CNC(=O)C(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807361063 GMBQHOSWRNRNGI-QUCCMNQESA-N 452.320 -0.147 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCC2(CCCN(C(=O)c3cc(=O)n4[nH]nnc4n3)C2)CC1 1810493316 JJPRYHGRMNLTRI-UHFFFAOYSA-N 459.511 -0.970 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@H](CNC(=O)Cn2ccncc2=O)[C@H]1c1cccnc1 1812343156 QKXMTTYJLXPMGZ-HRAATJIYSA-N 476.497 -0.343 50 20 JBGD Cc1cc(C)n(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)n1 1833039881 YTBGYCNOQPZGNI-QFIPXVFZSA-N 471.518 -0.731 50 20 JBGD COC(=O)Nc1cccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)c1 1835931690 XKCNSTLCHUDQPJ-DEOSSOPVSA-N 497.313 -0.072 50 20 JBGD CC(=O)N1CCN(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)Br)CCO3)CC1 1840033344 AXONRRCRUPXKOH-DNVCBOLYSA-N 475.384 -0.610 50 20 JBGD CC(C)(C)OC(=O)N1CCN(CC(=O)N2CC3(CCCN3C(=O)[C@H](O)CCl)C2)C(=O)C1 1841354728 RAPHSKIHPIWPTM-CQSZACIVSA-N 458.943 -0.131 50 20 JBGD O=C(c1nc2c(=O)[nH]c3ccccc3n2n1)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843013942 GYIBAOBUBRUHPM-UHFFFAOYSA-N 472.270 -0.619 50 20 JBGD CN(CC(=O)N1CCCC12CN(C(=O)CN1C(=O)C=CC1=O)C2)NC(=O)NCc1ccccc1 1845039406 MSUCDTZIUPZHAQ-UHFFFAOYSA-N 468.514 -0.539 50 20 JBGD CCN(CC)S(=O)(=O)N1CCN(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)CC1 10259356 LLIVTNVUUZXQNL-UHFFFAOYSA-N 475.597 -0.462 50 20 JBGD C[C@@H]1COCCN1CCNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 729615091 WYPRKMJSCBBFPU-OAHLLOKOSA-N 455.537 -0.628 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@]2(CCN(C(=O)c3nc4ncccn4n3)C2)C1 1777829737 VWOXVWXJNLOUMK-NFCNUSAFSA-N 465.474 -0.298 50 20 JBGD O=C(/C=C/C(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2)NCc1ccco1 1779206531 BSPHKVRWLBVIED-NDEDVSTASA-N 467.287 -0.725 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@]2(CN(C(=O)C[C@H]3NC(=O)NC3=O)CCO2)C1 1780095047 CKQLJRYADJHCPE-QVKFZJNVSA-N 489.441 -0.438 50 20 JBGD O=C(COc1cccnn1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2 1782519140 XAYLXPRCUYIJOX-XMSQKQJNSA-N 454.292 -0.637 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)[C@@H]3[C@@H](O)CCN3Cc3ccccc3)C2)C1 1782811709 YBLLFJHGPVOGKG-JCYRPKCISA-N 493.369 -0.555 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3COc4ccccc4O3)C[C@@H]21)c1cccc(B(O)O)c1 1786983369 OIDGOGMLBKJZIQ-DBXVSBKESA-N 466.299 -0.200 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C[C@@H]21 1788609871 PVGVFYUBYHHJLF-OWQGQXMQSA-N 499.484 -0.952 50 20 JBGD COCCOCCOCCOCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](Cl)COC)C[C@@H]21 1791144561 KACDVSGOVWQSLT-OKYOBFRVSA-N 480.986 -0.084 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](N)c1ccccn1)C2 1796440562 RJQXITBAPUSYSA-CCUKWKCUSA-N 453.503 -0.195 50 20 JBGD CC(C)(C)OC(=O)N1C[C@]2(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)[C@H](O)CCl)C4)C[C@H]1CO2 1799157071 ZVHKQZIQKNMGGD-OLKYVISVSA-N 473.954 -0.046 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1CCN(C(=O)[C@H]2CNC(=O)C2)[C@H]1c1cccnc1 1810304573 FJKZJOOZASXZRH-KHYOSLBOSA-N 451.487 -0.464 50 20 JBGD CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CC[C@H](CNC(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1813074038 NWKSPYXMUMHNJS-XQFWAAQXSA-N 498.588 -0.069 50 20 JBGD CCS(=O)(=O)N[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(B(O)O)c2)CC1 1824459593 DQISLLQYDDVLAE-JXFKEZNVSA-N 479.408 -0.073 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCC([C@H]2CCCCN2C(=O)C[C@@H]2NC(=O)NC2=O)CC1 1825077092 LCEOCTAHIPZVKO-JKSUJKDBSA-N 450.540 -0.423 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3CNC(=O)O3)CCO2)C1 1831564006 RQQQMPGGXXZYBU-YRVVQQKDSA-N 490.941 -0.317 50 20 JBGD C[C@H](C(=O)N1CCC(N2CCC(NC(=O)c3cnccc3C(=O)NN)CC2)CC1)n1cnnn1 1835737284 FCHOKZICWFERSD-CQSZACIVSA-N 470.538 -0.882 50 20 JBGD CCN(CC)C[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835939711 FIWWDGMIDOWSJG-MBSDFSHPSA-N 461.368 -0.586 50 20 JBGD C[C@H](Nc1cnccn1)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1837485124 IJCUOGZDBHUXOI-KKSFZXQISA-N 463.539 -0.894 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)C(F)(F)c1ccco1)CCO2 1839689427 LAZWCICNMGVKKQ-FQEVSTJZSA-N 464.230 -0.179 50 20 JBGD Cn1c(=O)c2c(CC(=O)N3CC4(CCCN4C(=O)c4cccc(B(O)O)c4)C3)csc2n(C)c1=O 1843014533 UOZSBWOFFSOOFZ-UHFFFAOYSA-N 496.354 -0.962 50 20 JBGD COc1cc2c(cc1OC)[C@H](CC(=O)NNC(=O)CN1CCCC1=O)N(S(C)(=O)=O)CC2 726104455 SCKNJFIQTJZMQD-HNNXBMFYSA-N 468.532 -0.278 50 20 JBGD Cc1nc(S(=O)(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cn1C 727113182 POTZEKDCEHUVEU-UHFFFAOYSA-N 471.561 -0.308 50 20 JBGD CN1CCN(S(=O)(=O)N2CCN(C(=O)NNC(=O)C(C)(C)c3ccccc3)CC2)CC1 731222282 PABYKFFGVLBVNQ-UHFFFAOYSA-N 452.581 -0.185 50 20 JBGD Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)NNC(=O)C(=O)N3CCCC3)CC2)cc1 748247328 XYILCYGZVPLXRQ-UHFFFAOYSA-N 479.559 -0.622 50 20 JBGD C#CCNS(=O)(=O)c1cccc(C(=O)NNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)c1 761461657 FFEHTAUKWAFPEZ-UHFFFAOYSA-N 470.916 -0.026 50 20 JBGD Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)CCC(=O)N3CC[C@H](B(O)O)C3)CC2)c1 864232886 CZEKSGQWSIJCPG-KRWDZBQOSA-N 451.354 -0.008 50 20 JBGD COc1cc(OC)cc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)c1 906468693 MYJMNFNGLUTJFM-UHFFFAOYSA-N 462.484 -0.101 50 20 JBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)C2)C1 1778116075 GHCIHQHSODDZFC-YJBOKZPZSA-N 451.973 -0.258 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](N)c3ccccn3)C[C@@H]21 1788610499 CHVWTRFDNBKFEB-ZAUBIYILSA-N 453.503 -0.627 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)[C@@H]1CC(=O)N(Cc2cccs2)C1 1793973642 FMWAPJRSLMCARN-QSNWEANLSA-N 497.382 -0.320 50 20 JBGD COc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)c(O)c1 1798834658 YXFWCFUWFZJILE-DBWKPXFBSA-N 455.471 -0.084 50 20 JBGD CCS(=O)(=O)CC(=O)NC[C@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1803512851 MHMABKWIWPOPLX-BEFAXECRSA-N 474.543 -0.166 50 20 JBGD O=C(Cn1cc([N+](=O)[O-])cn1)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1804417424 AHOVJNKNZDJKMF-LAUBAEHRSA-N 478.274 -0.114 50 20 JBGD CN1CCN(CCC(=O)NC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)CC1 1806912202 QYULREQQYDXBQT-XUZZJYLKSA-N 479.390 -0.282 50 20 JBGD O=C(N[C@@H]1CCc2nc(NC(=O)c3cc(=O)n4[nH]cnc4n3)sc2C1)c1cccc(B(O)O)c1 1815328176 KGZLYKUNNXTIPJ-GFCCVEGCSA-N 479.287 -0.907 50 20 JBGD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1)[C@@H](O)N1CCOCC1 1819444648 ZDXPPGOIDJRKOO-DYESRHJHSA-N 457.296 -0.954 50 20 JBGD CS(=O)(=O)CCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cccc(B(O)O)c1)CC2 1827204454 QKHHBWSSBHNMRW-ZDUSSCGKSA-N 451.335 -0.517 50 20 JBGD CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830733559 PFGIGWNRFGGQMC-SIFCLUCFSA-N 479.958 -0.682 50 20 JBGD COc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)cn1 1831950768 IALBFOVEJCZWBF-JOCHJYFZSA-N 455.276 -0.846 50 20 JBGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCc3nc(O)nc(O)c3C1)CCO2 1833028084 KEAIQEGMWFPVGM-XLDJFRKUSA-N 484.937 -0.297 50 20 JBGD N=C(N)SCC(=O)NC1CCN(C2CCN(C(=O)c3cnccc3C(=O)NN)CC2)CC1 1834654301 QTQSUOURXJDSOE-UHFFFAOYSA-N 462.580 -0.503 50 20 JBGD Cc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)cc1[N+](=O)[O-] 1835931035 DOXFYFMCZOUNNY-DEOSSOPVSA-N 497.313 -0.104 50 20 JBGD C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1)C1(O)CCC1 1837457062 WPJNDMKNPKHHMD-QVKFZJNVSA-N 461.519 -0.694 50 20 JBGD C[C@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840182682 PQHMEVLVSSTHTN-RDTXWAMCSA-N 463.373 -0.153 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3Cc4ccccc4O3)C2)C1 1840184420 LKFWUAOBGKRKQF-CVDCTZTESA-N 460.531 -0.181 50 20 JBGD CN(CCO)S(=O)(=O)c1ccc(C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1 728326127 CZESBBATXNNNTP-GOSISDBHSA-N 493.494 -0.556 50 20 JBGD C[C@H](NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)[C@@H](C)N1CCOCC1 729623391 KSPQGDYYUPHQCJ-JKSUJKDBSA-N 469.564 -0.239 50 20 JBGD CN(CC(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1)C1=NS(=O)(=O)c2ccccc21 746265748 IJIHYCQJNVOCHC-MRXNPFEDSA-N 488.478 -0.402 50 20 JBGD CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 919886187 RCICJZWZISILPH-ZFWWWQNUSA-N 478.618 -0.087 50 20 JBGD CCCNC(=O)NNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 921042137 BNJPBCCHJMKKAQ-UHFFFAOYSA-N 455.537 -0.102 50 20 JBGD Cc1c(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C3)cn2[nH]cnc(=O)c12 1780019594 AKLTUNBXSOFGBK-UZUQRXQVSA-N 487.561 -0.168 50 20 JBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN(CCO)CCO)C2)[C@H](F)Br 1780776632 IXSMNHYMSFZZLG-UKPHBRMFSA-N 454.337 -0.523 50 20 JBGD C[C@](O)(C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21)C(F)(F)F 1784875096 ZXGFNFSPZZYBHT-PCPUYYKTSA-N 459.425 -0.408 50 20 JBGD CC(C)(C)OC(=O)NC[C@H](O)CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21 1789935882 UBOWKICDQKOGSI-QRJUGERDSA-N 463.959 -0.159 50 20 JBGD CC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 1793980356 UNHWZUYFCLXHNU-XFMPKHEZSA-N 466.926 -0.959 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C(=O)Nc3ccccc3)CC1)C2)c1ccc(B(O)O)cc1 1795732841 MTAQGVJHPYMOEH-RMFSNUHRSA-N 477.326 -0.012 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2c(n1)NC(=O)CC2 1796105586 SBVHQLAEGGEKNE-HBCWATKFSA-N 479.497 -0.518 50 20 JBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1)[C@@H]1CCc2nc(O)nc(O)c2C1 1796188341 RUKLYOYWKNZPQC-MXASKKJJSA-N 466.303 -0.376 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1cccc(OC2CCOCC2)n1 1798374217 VECHUWYICDGXNE-FEJSZKPUSA-N 495.341 -0.164 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)CN2C(=O)C=CC2=O)[C@@H]1c1cccnc1 1813178452 IFMZMIUICAJGRX-ZHRRBRCNSA-N 456.503 -0.615 50 20 JBGD CC[C@@H](NC(C)=O)C(=O)NC1CCN(C2CCN(C(=O)c3cnccc3C(=O)NN)CC2)CC1 1833097475 BNUOAARWEDKEAT-HXUWFJFHSA-N 473.578 -0.215 50 20 JBGD COCCOCCOCCOCC(=O)N1CCC(N2CCC(NC(=O)[C@@H](O)CCl)CC2)CC1 1833312828 GZPJFCKQEGFTTR-FQEVSTJZSA-N 494.029 -0.146 50 20 JBGD O=C(O)c1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](F)Br)C3)C2)ncn1 1833497800 RPNIAABXKZQQRK-WBMJQRKESA-N 461.244 -0.065 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)Cc3ccc(O)cn3)CC2)CC1)c1cccc(B(O)O)c1 1834801517 RUJCUYKBNKGIPA-UHFFFAOYSA-N 466.347 -0.105 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CNc3ccccc31)CCO2 1835716576 YKEOCVUYZZSQTN-YKSBVNFPSA-N 465.315 -0.354 50 20 JBGD O=C(Cc1ccc(F)cc1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835929497 RLCNBMSMDLEZOW-QHCPKHFHSA-N 456.279 -0.182 50 20 JBGD Cn1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)c(C(F)(F)F)n1 1835938374 TXWWTNPESCMMSO-HXUWFJFHSA-N 496.251 -0.498 50 20 JBGD Cc1nn(C)c(C)c1C(=O)N1CCOC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837456571 OLJHPNFUUMCBNW-QFIPXVFZSA-N 471.518 -0.581 50 20 JBGD CC(=O)OC[C@H](OC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1837499942 SKLZQDBDGJHMGM-GRDNDAEWSA-N 483.287 -0.372 50 20 JBGD C[C@@H](C(=O)N1CCC(OC2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1)n1cnnn1 1837920904 LWMWTDPOJDGYEX-HNNXBMFYSA-N 456.312 -0.774 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(CO)o3)CCO2)C1 1837969344 UPLBXXRHVNQNAV-NRFANRHFSA-N 459.459 -0.846 50 20 JBGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1840031867 FFMZTJKEEUTQNN-SCLBCKFNSA-N 455.114 -0.780 50 20 JBGD C[C@@H](Cc1ccccn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1840332203 OQYXXHNDICLSMN-UUOWRZLLSA-N 467.331 -0.290 50 20 JBGD Cc1ccc(C(=O)NCC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)cc1 1840903920 NMUIFFSFMLZJKG-LAUBAEHRSA-N 453.923 -0.219 50 20 JBGD O=C(CNC(=O)c1ccco1)NNC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 725871485 CIUHRONYCWEPSE-UHFFFAOYSA-N 453.452 -0.104 50 20 JBGD C[C@H]1CN(CCNC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)CCO1 726257862 BDDHDPKFPNCVET-HNNXBMFYSA-N 455.537 -0.628 50 20 JBGD CN1CCN(S(=O)(=O)N2CCN(C(=O)NNC(=O)c3cccc(OC(F)F)c3)CC2)CC1 728598687 LMDKUGZIAVZGQF-UHFFFAOYSA-N 476.506 -0.248 50 20 JBGD CN1CCN(S(=O)(=O)N2CCN(C(=O)NNC(=O)c3cccc4cccnc34)CC2)CC1 747460126 BSTAYXRWOJFQHY-UHFFFAOYSA-N 461.548 -0.301 50 20 JBGD COc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 914652715 GREPQRYKMHHHQS-YPMHNXCESA-N 487.918 -0.312 50 20 JBGD C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)NNC(=O)N[C@H]3CCS(=O)(=O)C3)cc2)C[C@@H](C)O1 919884588 IFPNEISAXLFRCX-NFAWXSAZSA-N 474.561 -0.384 50 20 JBGD C[C@@H](CBr)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(=O)n3[nH]nnc3n2)C1 1777820819 WYISQNBKTWPLFG-WHWRDJHUSA-N 482.339 -0.029 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc4c(c3)CNC4=O)C2)C1 1778722526 HCNKEONJQWHJRD-QHCPKHFHSA-N 464.482 -0.314 50 20 JBGD CCOC(=O)N[C@H](O)C(=O)N1CC[C@]2(CN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)CCO2)C1 1778785318 XHRQPIHRCOMHSI-FBNGPRBQSA-N 464.479 -0.985 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](O)NC(=O)OC(C)(C)C)C2)C1 1781858268 SMFNOKKZTQHSJZ-DRVVBAMZSA-N 492.533 -0.207 50 20 JBGD C[C@@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cnccc1C(=O)NN)C2)n1cncn1 1782528550 CLFSOAUKFCTOLR-AVBTWRTFSA-N 456.507 -0.335 50 20 JBGD C[C@H](CBr)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1783965196 ALMYUSREUJGVAQ-QCPWZWHMSA-N 453.142 -0.009 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21)[C@@H]1CCc2nc(O)nc(O)c2C1 1785329048 ZGCGNPDBFUXSGC-ATIUZVCESA-N 454.911 -0.428 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](F)Br)C[C@@H]21)c1cc(=O)n2[nH]cnc2n1 1786979267 UGYKCEVMKTYUKP-LKAMGYQZSA-N 457.260 -0.299 50 20 JBGD COCCn1nccc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786979734 CFTBUHQVRLZKLX-QRFRQXIXSA-N 456.308 -0.884 50 20 JBGD COC[C@@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3CCN(S(C)(=O)=O)CC3)[C@H]2C1 1788111275 PEPLHOLMEJDGBP-NXOAAHMSSA-N 466.000 -0.109 50 20 JBGD COC[C@@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4n(n3)CCCNC4=O)C[C@@H]21 1791254751 SPAOJCMWAXACNI-ZJOBFFGXSA-N 453.927 -0.136 50 20 JBGD COc1ccc(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)cn1 1793892890 MAYHYJBEKKVWBI-OPMZPASUSA-N 453.304 -0.394 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CC(c3ccccc3)=NO1)C2)c1cccc(B(O)O)c1 1795737804 VDTUOJPMUFJXFK-UDKICSLYSA-N 463.299 -0.237 50 20 JBGD CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc(B(O)O)c2)C1 1796192125 KYFWINVKKXGSMV-YDLHNXBPSA-N 487.362 -0.010 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cnc2ccccc21 1800888372 CLCQMWSPISHXJY-USGNIVHTSA-N 463.498 -0.062 50 20 JBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(-n3cncn3)c1)C2 1801012532 NPKSYRZWYKXCQQ-UPHUGPLXSA-N 455.519 -0.157 50 20 JBGD CN1CCCn2nc(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)[C@H](O)CCl)CCO4)cc2C1 1830735064 CPEPWWARBQIINR-YLJYHZDGSA-N 455.943 -0.612 50 20 JBGD O=C([C@H](O)CCl)N1CCO[C@]2(COCCN(C(=O)[C@H]3C[C@@]34C(=O)Nc3ccccc34)C2)C1 1830736870 XFQNXQBJJMLEFI-DWPZYODISA-N 463.918 -0.048 50 20 JBGD Cc1ccc(C(=O)NCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)cc1 1830738380 OPRMJQXTYKPWJO-LAUBAEHRSA-N 453.923 -0.219 50 20 JBGD COC(OC)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C2)C1 1831033045 QRGSJGTWXKCDCS-YRXLECQKSA-N 451.480 -0.804 50 20 JBGD O=C(Cc1ccc(F)cc1)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1835048189 FSMSYMBFBUDJBU-HSZRJFAPSA-N 456.279 -0.182 50 20 JBGD O=C(CCc1cccc([N+](=O)[O-])c1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835927756 XSMGQVCYFSBGPL-DEOSSOPVSA-N 497.313 -0.023 50 20 JBGD C/C(=C\c1cccnc1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835933544 BHVMHOPUMSSGDN-FTCDTSOASA-N 465.315 -0.065 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)c3ccnc(Cl)n3)C2)C1 1835938166 NXHAQQLOFIKVMI-HXUWFJFHSA-N 460.683 -0.806 50 20 JBGD Cc1ccc(OC(C)(C)C(=O)N2CCOC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)nc1 1835939325 MHFLFJALOJSGCC-VWLOTQADSA-N 497.357 -0.003 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1ON=C(c3ccccc3)O1)CCO2 1837293047 SVVVZQJYECRUQK-DNQXCXABSA-N 495.297 -0.829 50 20 JBGD CN1CCCC[C@H]1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837456840 QPUBYAXDUDJKHL-PGRDOPGGSA-N 460.535 -0.761 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(-n3cccn3)cc1)CCO2 1839336954 ALRFVMSOOUEQOA-VWLOTQADSA-N 490.325 -0.064 50 20 JBGD N#C/C(=C\c1ccc(F)cc1F)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](N)CCC(N)=O)C2)C1 1839743427 QASUMYLWINRIRW-ZGOLIUOYSA-N 491.495 -0.079 50 20 JBGD COCCCNC(=O)[C@@H](C)N1CCN(C(=O)NNC(=O)CNC(=O)c2cccs2)CC1 728952189 VMZHPORESQRZLK-CQSZACIVSA-N 454.553 -0.623 50 20 JBGD O=C(COC(=O)Cn1c(=O)nc(O)c2ccccc21)NNC(=O)[C@H]1COc2ccccc2O1 809010303 HMWZGYQABYAKPO-MRXNPFEDSA-N 454.395 -0.367 50 20 JBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2)c1cnc(O)nc1O 1778006944 VNWGIMBQQVYZHH-IIBYNOLFSA-N 456.264 -0.991 50 20 JBGD O=C(CCN1Cc2ccccc2C1=O)N1CC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1778182219 ILVADVHDXHNWJB-VWLOTQADSA-N 477.326 -0.144 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)c3ccc4c(c3)NC(=O)CO4)C2)C1 1778578741 VVALVZGCHODULW-JOCHJYFZSA-N 459.503 -0.166 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)N3CCCC3)[C@H]2C1 1785001422 FWMKLPKJJJFGTK-BZSNNMDCSA-N 451.568 -0.258 50 20 JBGD C[C@@H]1Oc2ccc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)c5ccc(B(O)O)cc5)[C@H]4C3)cc2NC1=O 1786981201 YGZDBNTVILHZPK-DHKPLTOSSA-N 493.325 -0.007 50 20 JBGD Cn1ccc2c(O)ncc(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)c5ccc(B(O)O)cc5)C[C@@H]43)c21 1789151103 VYORWKYQAYGUFI-YSSFQJQWSA-N 478.314 -0.134 50 20 JBGD C[C@@H]1Oc2ccc(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)c5ccc(B(O)O)cc5)C[C@@H]43)cc2NC1=O 1789260718 VONDFRMARVSVRL-DHKPLTOSSA-N 493.325 -0.007 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)[C@@H]1CC(c2ccccc2)=NN1 1790550060 WSRSWZIIOJOLOL-HMNCIZAVSA-N 476.342 -0.274 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cn3c(F)cccc3n1)C2)c1cccc(B(O)O)c1 1795740552 HMUSHBUOMGNWOA-YVWYUNDQSA-N 452.251 -0.330 50 20 JBGD CC(C)(C)OC(=O)N1CC[C@@H]2C[C@]21C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795741278 ROPOSDQEQCIYOI-ZTDQHOIESA-N 499.373 -0.031 50 20 JBGD CN(CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cncnc1)C2)NC(=O)NCc1ccccc1 1799095320 NLTJJDBFHXPCTB-JHDGKUDLSA-N 481.557 -0.045 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)[C@@H](O)N2CCOCC2)[C@@H]1c1cccnc1 1813073458 MQPSJILRLWTEIP-IOMROCGXSA-N 462.551 -0.889 50 20 JBGD CC(=O)N1CCN(CC(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(B(O)O)cc3)[nH]n2)CC1 1818965774 WUFSWKATQOEGAT-HXUWFJFHSA-N 482.350 -0.441 50 20 JBGD C[C@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)N3CCOCC3)C2)C1 1830540091 MVWHPPIITYTCHQ-HFTRVMKXSA-N 464.357 -0.876 50 20 JBGD CCS(=O)(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](Cl)COC)C2)C1 1831330346 WBJXLPHODKELCU-CPUCHLNUSA-N 455.961 -0.976 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnn(-c3cccnc3)c1)CCO2 1833621614 OCLGJWMUXZAZOT-QHCPKHFHSA-N 485.545 -0.290 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)CN3CCCC3=O)CC2)CC1)c1cccc(B(O)O)c1 1834801229 VHLUMCROOASLIP-UHFFFAOYSA-N 456.352 -0.826 50 20 JBGD Cc1cccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)c1 1835039589 NMKRPJPAHJASHD-DEOSSOPVSA-N 452.316 -0.012 50 20 JBGD O=C(c1cc(=O)n2[nH]cnc2n1)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1835923813 GZODTNYGHQYJAX-MLGOLLRUSA-N 473.259 -0.822 50 20 JBGD Cc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)c(C)n1C 1835931313 MMTCUPUZIGCLDO-HSZRJFAPSA-N 455.320 -0.294 50 20 JBGD CN(C)c1cccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)c1 1835931620 TYTDYGVZIMHMPX-XMMPIXPASA-N 467.331 -0.184 50 20 JBGD O=C(c1ccc2c(c1)OCCO2)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835936928 KGHQYBNKRNSXBA-DEOSSOPVSA-N 482.298 -0.479 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)c3cc(O)ccc3O)C2)C1 1835939280 KGEBOOQPVMJEQF-JOCHJYFZSA-N 456.260 -0.839 50 20 JBGD CC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3n[nH]c4c3CS(=O)(=O)C4)CCO2)C1 1836257741 KUSRTAXUEBSDFZ-UGSOOPFHSA-N 460.940 -0.075 50 20 JBGD Cc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)cn1 1837456389 HHZPWRNBHXYPRJ-QFIPXVFZSA-N 454.487 -0.228 50 20 JBGD O=C(/C=C/C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1)NCc1ccco1 1837633153 GRXTVHZNKBRUPQ-LIENPHCYSA-N 455.895 -0.492 50 20 JBGD C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1)n1ccccc1=O 1837691138 HRAMSTYRWLFVLV-VGOFRKELSA-N 463.535 -0.761 50 20 JBGD CC[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3C(=O)CNC3=O)C2)C1 1839962629 LZVOGWNGTJZWOH-PXAZEXFGSA-N 461.313 -0.832 50 20 JBGD CCOC(=O)N[C@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](Br)CC)CCO2)C1 1839964919 JCAYMKZZLVDRRP-PBFPGSCMSA-N 466.329 -0.319 50 20 JBGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(S(C)(=O)=O)cn3)C2)C1 1840150531 NKCRZUZRWZNGHN-DNVCBOLYSA-N 475.951 -0.191 50 20 JBGD O=C(NCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1)c1ccccc1 1840799966 ZEXIQSLNJFOVKB-VWLOTQADSA-N 495.341 -0.744 50 20 JBGD CCN(CC)S(=O)(=O)c1ccc(Cl)c(S(=O)(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c1 728510814 VKJGNZMVNHEKPI-JTQLQIEISA-N 491.013 -0.382 50 20 JBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cccc(S(=O)(=O)NCc2cccs2)c1 729274888 GUBJVCUNBAMSPP-LLVKDONJSA-N 460.559 -0.075 50 20 JBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1 729275340 NQUVUWGLEYNVJW-SECBINFHSA-N 471.355 -0.845 50 20 JBGD Cc1ccn2c(=O)c(C(=O)N3CC[C@]4(CN(C(=O)CCC(=O)NN(C)C)CCO4)C3)cnc2c1 1777994927 CGMVZPSFRSOMLU-QHCPKHFHSA-N 470.530 -0.181 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)c3cnc4[nH]ncc4c3)C2)C1 1778416093 SJVIKFYAEFDUKA-NRFANRHFSA-N 450.459 -0.286 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(-n4c(O)nnc4O)cc3)C2)C1 1780201764 OUEYPZAFXFCXAG-JOCHJYFZSA-N 487.517 -0.505 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(C(=O)O)ncn3)[C@H]2C1 1785643545 MOVFEMJESZBOET-YLVFBTJISA-N 469.458 -0.920 50 20 JBGD C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1)[C@@H]1SC(=N)NC1=O 1788610182 IJURIDRHCUQXLJ-FQDAJMMCSA-N 489.558 -0.919 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CNC(=O)OC(C)(C)C)C[C@@H]21 1791287208 UHPBQYSYSNHFCA-NXOAAHMSSA-N 485.582 -0.775 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN1CCOCC1)C2 1796440545 PNIBPEYBSKGDQV-ODRBZYGGSA-N 460.535 -0.568 50 20 JBGD O=C(NC[C@@H]1CCN(C(=O)CCN2CCOCC2)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807362342 GNPXYALUMBOSLN-NZQKXSOJSA-N 466.347 -0.197 50 20 JBGD CCNC(=S)NCC(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1812331390 UZNXNTPVRFPHPA-FXAWDEMLSA-N 469.376 -0.435 50 20 JBGD C[C@@H](C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cccc(B(O)O)c1)CC2)N1CCN(C)CC1 1822685809 WGYAXKVRCHLGEW-YOEHRIQHSA-N 471.392 -0.315 50 20 JBGD COC[C@@H](NC(C)=O)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(B(O)O)c2)CC1 1829112944 HFTIVKUMZABUON-NHCUHLMSSA-N 459.352 -0.249 50 20 JBGD CNc1nsnc1C(=O)N1CCO[C@@]2(COCCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C2)C1 1829753244 ZSEHPNWZKPLAHP-VMHRPQTGSA-N 490.546 -0.216 50 20 JBGD O=C1Nc2c(cccc2C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)C1=O 1830730664 COQQOCOCLJQSHD-VLIAUNLRSA-N 451.863 -0.509 50 20 JBGD CC(=O)N[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1)C(C)(C)C 1831090108 YJNCEUOOVPLPPZ-WZONZLPQSA-N 490.561 -0.694 50 20 JBGD O=C(CCN1C(=O)C=CC1=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1832025715 KEYCELUYMFNTRD-RDJZCZTQSA-N 462.272 -0.552 50 20 JBGD CC(C)c1nc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)co1 1833343162 RRPBWXJENQFSGC-QFIPXVFZSA-N 457.292 -0.138 50 20 JBGD O=C(CCc1ccc2c(c1)OCO2)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835929364 MKMOINQKGDFXJN-RUZDIDTESA-N 496.325 -0.202 50 20 JBGD COc1ccc(OCC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)cc1 1835934191 PKCJOWZRBWZHOD-DEOSSOPVSA-N 484.314 -0.476 50 20 JBGD C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1)n1cccc1C=O 1835954603 MSQHURCKIAMJRV-GAJHUEQPSA-N 469.303 -0.688 50 20 JBGD O=C1NCCCn2nc(C(=O)N3CCO[C@]4(COCCN(C(=O)CCBr)C4)C3)cc21 1836779147 BYQOGETUDGLGCE-IBGZPJMESA-N 484.351 -0.128 50 20 JBGD C[C@@H](Nc1ccccn1)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837458772 BECPXGKAFWWMFQ-MWTRTKDXSA-N 483.529 -0.349 50 20 JBGD CCOc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)c1O 1839426197 HBGGCOYDGFCWCN-DEOSSOPVSA-N 484.314 -0.146 50 20 JBGD Cc1nn(C)c(C)c1CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1840436226 TUZDUVMNLGNYNA-HSZRJFAPSA-N 470.335 -0.971 50 20 JBGD CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843012559 ARPWXCYWPQKDEE-KRWDZBQOSA-N 489.334 -0.360 50 20 JBGD C[C@H]1CN(CCC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)C[C@H](C)O1 912921699 SMHSECKTETUBHC-HOTGVXAUSA-N 454.549 -0.032 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)[C@@H]3ON=C(c4ccccc4)O3)C2)C1 1778867295 ISWSRXDIASYVJX-XZOQPEGZSA-N 465.271 -0.455 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)/C=C/C(=O)NCc3ccco3)CCO2)C1 1779032403 QOKXDSNZKWXPAT-OSFWOZTASA-N 482.497 -0.406 50 20 JBGD Cc1ccc(=O)n(C(C)(C)C(=O)N2CC[C@]3(CN(C(=O)c4cnccc4C(=O)NN)CCO3)C2)n1 1779236209 BXMKQAXFILIBCU-QHCPKHFHSA-N 483.529 -0.571 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)CN3C(=O)CSC3=S)C2)C1 1785547031 PEWAUZNVXVGINP-GOSISDBHSA-N 457.578 -0.950 50 20 JBGD C[C@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(=O)n4[nH]cnc4n3)[C@H]2C1 1786978404 VWIUHRIUDIBIRX-ZPFDUUQYSA-N 453.297 -0.206 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3[nH]nc4ncccc34)C[C@@H]21 1788610079 BUUICFXPBMJZOW-ZLIFDBKOSA-N 464.486 -0.137 50 20 JBGD COc1ncccc1CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1794092318 KGMIEGZUEPZGNJ-RMFSNUHRSA-N 453.304 -0.394 50 20 JBGD CN(CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1C[C@@H](O)C1)C2)NC(=O)NCc1ccccc1 1799097597 QBQTYWCKPAOKHB-CCWOBUHQSA-N 459.547 -0.307 50 20 JBGD CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2 1802084422 IOXOYEJVMAVWCB-KHMAMNHCSA-N 477.942 -0.368 50 20 JBGD COC(=O)CSCC(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807360596 TULHOWDLTZKJPW-DYESRHJHSA-N 471.344 -0.013 50 20 JBGD CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807363405 BYONRTDHMNJKFA-HFSMHLIXSA-N 498.345 -0.076 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cn(C)nc1C)CCO2 1831872861 ZEVMKMXACIFNAB-OLCUMFGGSA-N 471.518 -0.067 50 20 JBGD C[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)CCN3C(=O)C=CC3=O)CCO2)C1 1832025075 RQHUKOSCGSRBHQ-ACJLOTCBSA-N 458.309 -0.459 50 20 JBGD O=C(CCc1cccnc1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835928284 IDICHJYODMBJRO-QHCPKHFHSA-N 453.304 -0.536 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)c3cccc4nccn34)C2)C1 1835931784 CLBMASWKPREYGC-HSZRJFAPSA-N 464.287 -0.602 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])o3)C2)C1 1835933926 IYEQHRBNBPBVSK-FQEVSTJZSA-N 459.220 -0.749 50 20 JBGD Cc1cccnc1CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835934989 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PFGIGWNRFGGQMC-SXGZJXTBSA-N 479.958 -0.682 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1)c1ccncc1O 1835874919 VQSBAXOJIIODFR-UHFFFAOYSA-N 452.320 -0.034 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)c3cnoc3C3CC3)C2)C1 1835929471 QKTBLAFVIKQQMP-QFIPXVFZSA-N 455.276 -0.384 50 20 JBGD CC(=O)Nc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)cc1 1835937405 UGIPVQZXCNHOQV-RUZDIDTESA-N 495.341 -0.363 50 20 JBGD Cn1cc2cc(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)c3cccc(B(O)O)c3)CCO4)ccc2n1 1835939050 CIMIFGPKVQNGSV-XMMPIXPASA-N 478.314 -0.363 50 20 JBGD CN1CCN(CCC(=O)N2CCC(OC3CCN(C(=O)c4ccc(B(O)O)cc4)CC3)CC2)CC1 1837806503 BUZSEIRYTRSKST-UHFFFAOYSA-N 486.422 -0.384 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCC(OC2CCN(C(=O)[C@H]3CCCS3(=O)=O)CC2)CC1 1838740044 GPQYCRLPWMJXSI-GOSISDBHSA-N 472.608 -0.065 50 20 JBGD CN(CC(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3ccnc3)C2)C1)NC(=O)NCc1ccccc1 1839054237 NDDCUESOWXANMW-XMMPIXPASA-N 499.572 -0.314 50 20 JBGD CNC(=S)NCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839200987 ULFDLDZOTYSCPP-IUODEOHRSA-N 455.350 -0.383 50 20 JBGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)CS(=O)(=O)N3CCCC3)C2)C1 1840032914 NILVPUCNTUVHSM-YOEHRIQHSA-N 482.397 -0.348 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(-c4ccccn4)[nH]n3)C2)C1 1840185872 UPPHNTZBWSIZRY-HSZRJFAPSA-N 485.545 -0.085 50 20 JBGD C[C@H](NC(=O)c1ccccc1)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1840901273 CWDSNTZNQYQNFN-AVRWGWEMSA-N 495.341 -0.745 50 20 JBGD C[C@@H](CBr)C(=O)N1CCCC12CN(C(=O)Cn1cnc3c1c(=O)n(C)c(=O)n3C)C2 1841285803 OXTQAVLIRJXHSZ-LBPRGKRZSA-N 481.351 -0.332 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)c2ccc(N3C(=O)C=CC3=O)cc2)C1 1846890958 JCRYABWIFQCYEP-UHFFFAOYSA-N 459.267 -0.073 50 20 JBGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)NCCn1cncn1 726710453 ZYXQVHICOQWKGS-UHFFFAOYSA-N 451.509 -0.738 50 20 JBGD Cn1c(=O)n(C)c2cc(S(=O)(=O)NNC(=O)c3ccc(Cl)c(S(N)(=O)=O)c3)ccc21 747693406 WSMUZBBXSPXDFV-UHFFFAOYSA-N 473.920 -0.199 50 20 JBGD COc1cnc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cnccc3C(=O)NN)C2)cn1 1779371241 WNELRHQKISPYSC-VGOFRKELSA-N 469.502 -0.075 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)c3cc(-c4cccnc4)[nH]n3)C2)C1 1779609123 VSZZFFBFHMSVLP-HSZRJFAPSA-N 461.287 -0.091 50 20 JBGD CN1CCN(C2(C(=O)NC[C@@]34CCCO[C@@H]3CCN(C(=O)c3cnccc3C(=O)NN)C4)CC2)CC1 1780652687 LIJBDUMVARMHNJ-HYBUGGRVSA-N 499.616 -0.407 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@]3(NC(=O)OC(C)(C)C)CCOC3)C2)C1 1781311779 MQRXRHBHYZPZAW-GOTSBHOMSA-N 497.593 -0.127 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)c3c(O)cc(O)cc3O)C2)C1 1781814446 UJDRGYKTAYMFHL-NRFANRHFSA-N 457.443 -0.441 50 20 JBGD CC(C)(C)OC(=O)N1C[C@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]3C2)[C@@H](O)C1 1784093442 YZSMSYJQVZAQND-UYLCUJDWSA-N 475.970 -0.206 50 20 JBGD C[C@H](Oc1cccnc1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786981875 DQEVRNAOKORZHL-OQRYQMPQSA-N 453.304 -0.178 50 20 JBGD C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1)n1ccccc1=O 1786984208 QNZRGGZMHSINRZ-LQJIQPLVSA-N 453.304 -0.617 50 20 JBGD C[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1)n1ccccc1=O 1788611042 HFGPTOBCKNZXCU-LNMJFAINSA-N 468.514 -0.299 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCNC(=O)c1ccc[nH]1 1794034797 XWRUVOUJUIPPJP-VTSVMAJYSA-N 483.529 -0.142 50 20 JBGD Cc1cccc(C)c1NC(=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795739768 LJHCJGYOPUROAD-RMFSNUHRSA-N 465.315 -0.175 50 20 JBGD CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](F)Br 1799352431 WTAPLBYYMSDYOR-BJBXXJATSA-N 460.304 -0.263 50 20 JBGD CC(=O)N[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN(C)NC(=O)NCc1ccccc1)C2 1800535203 MMVKBBHQPCVGSR-KBMWQNTOSA-N 474.562 -0.553 50 20 JBGD CNC(=S)NCCC(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807375787 QEHJPCCYQOYQDG-PXNSSMCTSA-N 469.376 -0.435 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1CCN(C(=O)[C@H]2CCNC(=O)C2)[C@@H]1c1cccnc1 1810305380 KXCQBSMBVUZVOG-DKICVRJWSA-N 465.514 -0.074 50 20 JBGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2cc(=O)n3[nH]cnc3n2)[nH]n1)c1cccc(B(O)O)c1 1817475333 OBMPMBIXOPZBOA-INIZCTEOSA-N 476.262 -0.560 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)c1cc(=O)c3ccccc3o1)CCO2 1830310569 WGOSDWMYWNGYDX-VWLOTQADSA-N 492.293 -0.143 50 20 JBGD COC(=O)[C@@H]1CC[C@@H](C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)C1 1830716072 SQULVTNMJYJVLH-CKNGIIGNSA-N 489.529 -0.656 50 20 JBGD O=C(Cn1nnc2ccccc21)NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1833651206 OAZZLNBDZCKMCA-UHFFFAOYSA-N 490.373 -0.004 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)c3ccc(Cl)nn3)C2)C1 1835930652 SARXPXJNSPKJQR-FQEVSTJZSA-N 460.683 -0.806 50 20 JBGD C[C@@H](NNc1ccccc1)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835934406 YYFSBNNVAGSUFY-KOSHJBKYSA-N 482.346 -0.558 50 20 JBGD Cc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)ncc1[N+](=O)[O-] 1835937122 PSEVPGWKTHMENL-JOCHJYFZSA-N 484.274 -0.638 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCC(N2CCC(NC(=O)c3cc(CO)on3)CC2)CC1 1836187761 IBLMECLURSHHDM-UHFFFAOYSA-N 471.518 -0.336 50 20 JBGD Cc1cn(CC(=O)N2CCC(OC3CCN(C(=O)c4cccc(B(O)O)c4)CC3)CC2)c(=O)nc1O 1837922110 MLOXCNRPKCEBKR-UHFFFAOYSA-N 498.345 -0.750 50 20 JBGD CC[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3nccnc3C(N)=O)CCO2)C1 1838330382 DCLDIWKCSXLUGY-XIKOKIGWSA-N 470.324 -0.181 50 20 JBGD C[C@H](Cn1ccnc1)C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840185501 RFPRKJFVMOXQLW-UTKZUKDTSA-N 450.540 -0.651 50 20 JBGD CSCC[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C2)C1 1840197302 JDLAUSBHTKHVKD-NYYYDFRBSA-N 481.575 -0.309 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)c1ccccc1Cl)CCO2 1840317086 GYDSKGQRUIDBLN-NFBKMPQASA-N 488.733 -0.177 50 20 JBGD C[C@@H](Br)C(=O)N1CC2(CCCN2C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)C1 1841985372 YQZIWAHIIYDREX-LLVKDONJSA-N 467.324 -0.580 50 20 JBGD CN1CCN(S(=O)(=O)N2CCN(C(=O)NNC(=O)CCOc3ccccc3)CC2)CC1 747104529 BNGXZBJWJIBHCD-UHFFFAOYSA-N 454.553 -0.694 50 20 JBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNS(=O)(=O)c2ccccc2S(C)(=O)=O)c1 873988283 WYASUJLQHASRJF-UHFFFAOYSA-N 461.543 -0.036 50 20 JBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cc1 913500145 YNVGIIXZMOAHNT-UHFFFAOYSA-N 479.540 -0.387 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)c3cc(Cl)c4nncn4c3)C2)C1 1778944538 HSCHMBPQUSCFSA-OAQYLSRUSA-N 469.694 -0.180 50 20 JBGD CC(C)n1nc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)cc1C(=O)O 1779028443 LSIYJHNEYVEXMQ-JOCHJYFZSA-N 485.501 -0.082 50 20 JBGD C[C@@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnccc2C(=O)NN)C1)n1cnnn1 1779375495 PFEOYAOZUKWFJE-GQWAEJPESA-N 457.495 -0.940 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@]1(NC(=O)OC(C)(C)C)CCOC1)CCO2 1783935050 OXVQDKPUNFVSTJ-PKTZIBPZSA-N 497.593 -0.127 50 20 JBGD COC(=O)[C@H]1CC[C@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]32)C1 1784087699 YVRWRZDUAXDJLU-ATIWLJMLSA-N 452.552 -0.072 50 20 JBGD COC(=O)c1ccc(OCC(=O)N2CC[C@@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)cc1 1785719887 LXYQWFZOKMBXPK-XMMPIXPASA-N 482.298 -0.325 50 20 JBGD C[C@@H](Oc1cccnc1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786981872 DQEVRNAOKORZHL-GWKIZSTFSA-N 453.304 -0.178 50 20 JBGD COC(=O)NCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN(C)NC(=O)NCc3ccccc3)[C@H]2C1 1789726646 JAKGAGHFMGJTIJ-FHWLQOOXSA-N 490.561 -0.332 50 20 JBGD CC(=O)OC[C@@H](OC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](F)Br 1799350116 QRVUMISPDVMNBH-ITGHMWBKSA-N 453.261 -0.239 50 20 JBGD CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(B(O)O)cc1)C2 1800166980 OLYFLGBUSQZEAW-RDGPPVDQSA-N 475.351 -0.106 50 20 JBGD COCCOCCOCCOCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCC(=O)NN(C)C)C2 1802099692 GBLDNHFDTLWNHV-REPLKXPHSA-N 472.583 -0.306 50 20 JBGD O=C(CN1CCOC1=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1803335722 XQJOCJLKSINDIL-FXAWDEMLSA-N 452.276 -0.467 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)[C@H](O)N2CCOCC2)[C@H]1c1cccnc1 1813073468 MQPSJILRLWTEIP-YYWHXJBOSA-N 462.551 -0.889 50 20 JBGD O=C(Cn1ccncc1=O)N[C@@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815360152 PINIPWFQSSLGSH-CQSZACIVSA-N 453.289 -0.694 50 20 JBGD O=C(CCN1C(=O)C=CC1=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1815472476 YROMAGOGZFFXGU-KRWDZBQOSA-N 465.275 -0.290 50 20 JBGD COc1ccc([C@H](O)C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)cc1 1830216483 DIYHYPLGDTZKIV-RDPSFJRHSA-N 499.524 -0.503 50 20 JBGD O=C(CCS(=O)(=O)c1ccccc1)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1835142859 ZHJSDQXLLRBBKX-XLIONFOSSA-N 474.963 -0.094 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1sc3nccnc3c1N)CCO2 1835881007 LGPYRMZZAOCNBJ-NRFANRHFSA-N 491.574 -0.284 50 20 JBGD Cc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)n(C(F)F)n1 1835938511 XCJZHVBKXVOBMS-NRFANRHFSA-N 478.261 -0.350 50 20 JBGD CN(C)c1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)cc1 1835939369 OPWXVIKHJVXWCD-DEOSSOPVSA-N 467.331 -0.184 50 20 JBGD C[C@@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCN(C)CC3)CCO2)C1 1836666693 VMVWPGLBPXPVIR-QFBILLFUSA-N 461.401 -0.279 50 20 JBGD Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)nn1C(F)F 1838706297 SVRDCGMXLLIWJW-NRFANRHFSA-N 478.261 -0.350 50 20 JBGD CN(CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc[nH]n3)C2)C1)NC(=O)NCc1ccccc1 1839054395 WTJUQKYOMQKVER-QHCPKHFHSA-N 485.545 -0.174 50 20 JBGD CC[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3C(=O)CNC3=O)C2)C1 1839962630 LZVOGWNGTJZWOH-SJCJKPOMSA-N 461.313 -0.832 50 20 JBGD COCCOCCOCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1840075869 GJNGSRWBDKWIIV-VQIMIIECSA-N 452.932 -0.888 50 20 JBGD C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1)n1cccn1 1840441949 MCBIXZBAIPVUKP-VFNWGFHPSA-N 457.491 -0.787 50 20 JBGD Cc1nccn1[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1840493031 PKZCHLBCIJMQTQ-IIBYNOLFSA-N 450.540 -0.418 50 20 JBGD Cn1ncc(I)c1C(=O)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843013838 UFUHCWJZMKNQKU-UHFFFAOYSA-N 494.098 -0.165 50 20 JBGD CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](C(=O)N2CCCC23CN(C(=O)c2cnccc2C(=O)NN)C3)C1 1845106659 BHXLOJQSRYFFOC-DLBZAZTESA-N 488.545 -0.270 50 20 JBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)Nc3ccc(S(N)(=O)=O)cc3)nc2)CC1 16500623 WAGHHXGNMPMZEI-UHFFFAOYSA-N 469.549 -0.186 50 20 JBGD O=C(CC1(CC(=O)NNC(=O)C(=O)N2CCCC2)CCCCC1)NNC(=O)C(=O)N1CCCC1 729843067 WSQBLNWIDVEWDI-UHFFFAOYSA-N 478.550 -0.743 50 20 JBGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)CCNS(=O)(=O)c1cn(C)c(C)n1 750664021 VVKGUJUQVFFBRB-UHFFFAOYSA-N 471.565 -0.540 50 20 JBGD CN(CC(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1)C(=O)c1ccccc1 1779029713 XMRWJPIPBZXORH-XMMPIXPASA-N 480.525 -0.099 50 20 JBGD CS(=O)(=O)c1ccc(F)c(C(=O)N2CC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)c1 1782151807 KBCNFXYDIGROIY-QFIPXVFZSA-N 490.318 -0.334 50 20 JBGD C[C@@H](O)[C@H](NC(=O)c1ccccc1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21 1783844161 JEOQEQJFIZLHPF-IWCDAZGSSA-N 467.950 -0.255 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C[C@@H]21 1788609985 JJSPGVBWVFAFBX-PJODQICGSA-N 457.447 -0.172 50 20 JBGD Cc1nn(C)c(C)c1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1 1788611536 KMWXLSJBGDVRSF-WBAXXEDZSA-N 455.519 -0.057 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(=O)C(F)(F)F)[C@H]2C1 1791311554 HWUIUIZVLYZTOI-BAKRTHJDSA-N 486.451 -0.221 50 20 JBGD CC(C)(C)OC(=O)NCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1792121373 ZUOILEWQUAIRME-WDSOQIARSA-N 475.351 -0.126 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](N)CCC(N)=O)C2 1793880875 JFSXRQWIKRIAQJ-RGHULWKBSA-N 475.974 -0.699 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)[C@@H]1CN(Cc2ccccc2)CCO1 1797246116 ZAVDZECUZDQJLT-DVKRWUGUSA-N 493.369 -0.529 50 20 JBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cnc3ccccc31)C2 1797754312 RBBIHJOGXPRFEJ-USGNIVHTSA-N 463.498 -0.062 50 20 JBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CSC1=S 1804333849 ZKOZSYJRIAHFDO-ZSBIGDGJSA-N 462.557 -0.203 50 20 JBGD C[C@@H](C(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1)N1CCN(C)CC1 1807372551 GAYLLUSJYSIJJY-QTGUNEKASA-N 479.390 -0.283 50 20 JBGD NC(=O)c1nccnc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1820023793 FFLGVXOCYDLQMR-OAHLLOKOSA-N 463.263 -0.402 50 20 JBGD CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C(=O)N2CCOC[C@@]3(CN(C(=O)[C@H](O)CCl)CCO3)C2)C1 1830733472 NCTHYFDMMTWGCO-PTDBIEIZSA-N 491.969 -0.730 50 20 JBGD C[C@H](CS(C)(=O)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)CCBr)C2)C1 1831455092 YARONHDTOUXXLM-CJNGLKHVSA-N 455.371 -0.092 50 20 JBGD O=C(/C=C/c1cccnc1)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1833098938 CUVPQAHMGRWYCZ-DHXBXMGCSA-N 451.288 -0.455 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(O)nc(Cl)c3)CCO2)C1 1833579631 KKDBSLSLTDPXHJ-NRFANRHFSA-N 490.904 -0.177 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC1CCN(C2CCN(C(=O)C(=O)N(C)C)CC2)CC1 1835118410 ZYGJWCICENDWTD-MFKUBSTISA-N 459.551 -0.220 50 20 JBGD CO[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1)c1ccccc1 1835929178 FLZOMNSIJHPDFX-URXFXBBRSA-N 468.315 -0.176 50 20 JBGD O=C(COc1ccccc1F)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835932221 UPYUCEOZFGLMSE-QHCPKHFHSA-N 472.278 -0.346 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCc4ccoc4C3)C2)C1 1835934307 UYVYSIRALGIBBN-NTKDMRAZSA-N 468.315 -0.166 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)[C@H](O)Cc3ccccc3)C2)C1 1835940049 ULQDJRNKEVWJKT-ZJSXRUAMSA-N 468.315 -0.960 50 20 JBGD O=C(Cn1cnc2ccccc21)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835940129 VHUINKAWFFHNLX-XMMPIXPASA-N 478.314 -0.514 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)CC[C@@H]3CCOC3)C2)C1 1837461355 UTOSCAPYAVTXIH-ZHRRBRCNSA-N 461.519 -0.428 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)c1cc(F)cnc1Cl)CCO2 1837856105 USMCARADJZKIDK-NRFANRHFSA-N 477.685 -0.062 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCC(OC2CCN(C(=O)CN3CCNC3=N)CC2)CC1 1837862492 XNRJSIQNMGMBES-UHFFFAOYSA-N 451.572 -0.802 50 20 JBGD C[C@@H](C(=O)N1CCC(OC2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1)N1CCN(C)CC1 1837920014 BSLVWQXYISUKDS-IBGZPJMESA-N 486.422 -0.386 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc4cccnn4c3)CCO2)C1 1839560858 OMVXVVOMFWPVOP-HSZRJFAPSA-N 479.497 -0.283 50 20 JBGD COCCOCCOCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](Cl)COC)C2)C1 1840077916 SPNHODPIOZJCIS-FXAWDEMLSA-N 466.959 -0.234 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cncn3-c3ccncc3)C2)C1 1840183405 CGWQGBMZOKCYHR-QHCPKHFHSA-N 485.545 -0.290 50 20 JBGD CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)N1CCCC12CN(C(=O)c1cnccc1C(=O)NN)C2 1845222940 KBMDVKNYVAQFOT-MRXNPFEDSA-N 476.534 -0.222 50 20 JBGD CN(CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C[C@@H]1NC(=O)NC1=O)NC(=O)NCc1ccccc1 1848128223 ACMBQCKSTRBRKZ-ULQDDVLXSA-N 471.518 -0.868 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1=NNC(=O)C1)C2 1778091428 ZPTUVXGNIBKCGB-GCVSMSDNSA-N 457.491 -0.490 50 20 JBGD Cc1cc(C(=O)NCC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cccc(B(O)O)c2)C3)no1 1779432671 WQUGMOSCJFTHHG-AUSIDOKSSA-N 484.318 -0.780 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)c3cc(=O)nc4sccn34)C2)C1 1779955252 BVTLSUICAMXAPG-HXUWFJFHSA-N 462.532 -0.428 50 20 JBGD O=C(CN(CCO)CCO)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCBr)C2 1781836925 HYDRUSUDBQDFNL-CRAIPNDOSA-N 450.374 -0.428 50 20 JBGD O=C(CCC(=O)N1CCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1784997579 GPQQZIHFBSJNPY-IHPCNDPISA-N 457.336 -0.638 50 20 JBGD C[C@@H](CC(N)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN(C)NC(=O)NCc3ccccc3)[C@H]2C1 1789724620 CECMELVHJXWITK-LEAZDLGRSA-N 488.589 -0.176 50 20 JBGD COc1cc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)cc(OC)c1OC 1793659387 XMCMXYHTWGFKNA-FEJSZKPUSA-N 498.341 -0.162 50 20 JBGD CC(=O)N[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1)c1ccc(F)cc1 1795739747 IWKODRJLJJVUPL-GMQQQROESA-N 483.305 -0.414 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnn2cccnc12 1797367783 ODXPMRLNXABIDM-FVCICTRLSA-N 450.459 -0.755 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1=NNC(=O)C1 1797684448 GYMVCAKJHGGITB-KSPBDQMDSA-N 459.415 -0.401 50 20 JBGD O=C1CC[C@H](C(=O)N2CC[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)CN1 1807358831 ABHHATYBEHSWII-BBTUJRGHSA-N 450.304 -0.393 50 20 JBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1CCc2nc(NC(=O)c3c[nH]c(=O)cn3)sc2C1 1821469030 KYUQKVWXXZZMLG-SECBINFHSA-N 454.472 -0.236 50 20 JBGD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830738651 QTMQJCKHGWXMNO-YFPZEJLNSA-N 456.879 -0.127 50 20 JBGD CCS(=O)(=O)N[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1 1836846040 GCDVDKVKXQVEBP-INIZCTEOSA-N 489.639 -0.314 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc4snnc4c3)C2)C1 1837459588 LAFFDIDDWOPVBD-OAQYLSRUSA-N 498.525 -0.531 50 20 JBGD C[C@H](Nc1cnccn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1837485120 IJCUOGZDBHUXOI-HRAATJIYSA-N 463.539 -0.894 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(CN(C(=O)/C=C/C(=O)NCc3ccco3)CCO2)C1 1837636855 OZGXAUROHOBGCK-NKOINVLESA-N 491.545 -0.719 50 20 JBGD CCCC(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1837679934 XQFKADXRFNFORS-HRAATJIYSA-N 455.556 -0.879 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)CCO2 1839413689 OEXSDPXWUCTVMB-QFIPXVFZSA-N 485.258 -0.636 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3ccc(O)nn3)CCO2)C1 1839650674 MOKXZQRNDJHNTJ-AJPHYDNBSA-N 499.528 -0.295 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC(=O)N(C4CCCC4)C3)C2)C1 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Cc1ccc(=O)n(C(C)(C)C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc(B(O)O)c2)n1 1796191905 NTHJGQRZJRZXSI-REPLKXPHSA-N 452.320 -0.081 50 20 JBGD C[C@H](Nc1cccnc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797750453 FUORVYBKXSKSOC-ZTENYAIWSA-N 453.503 -0.216 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)C[C@H]2NC(=O)NC2=O)[C@H]1c1cccnc1 1804350474 ZIYWJSZOPKNTTJ-SPYBWZPUSA-N 459.507 -0.942 50 20 JBGD C[C@](O)(CC(=O)O)CC(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1813065668 PFQKQLLPBRXZKD-JWNTYJGQSA-N 469.303 -0.303 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H](O)N1CCOCC1)CC2 1817281233 BHEFIPPQFLFFSK-JSKJRFHCSA-N 489.558 -0.160 50 20 JBGD N#Cc1cccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)c1 1830458578 GUJHEDAOERHOMI-VWLOTQADSA-N 477.326 -0.059 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CCOC[C@]2(CN(C(=O)C(=O)N(C)C)CCO2)C1 1835433218 KGASGWVWPSKKJY-OAQYLSRUSA-N 478.458 -0.322 50 20 JBGD 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MEJRUFRKFQDCCY-UHFFFAOYSA-N 457.534 -0.617 50 20 JBGD CC(C)NC(=O)C(=O)NNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 744447083 WHZMYXWDGMZFNQ-UHFFFAOYSA-N 454.505 -0.470 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)CNC(=O)c3ccco3)CCO2)C1 1779030724 GTNVWAYZOLPSDL-OAQYLSRUSA-N 456.459 -0.848 50 20 JBGD C[C@H]1Oc2ccc(C(=O)N3CC[C@@]4(CN(C(=O)c5ccc(B(O)O)cc5)CCO4)C3)cc2NC1=O 1780175281 GIKWBAGUILHFTA-MYYSRTQBSA-N 479.298 -0.157 50 20 JBGD CC(C)(C)OC(=O)N1CC(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)C1 1788114881 RAUYBIZZVMUALN-VDGAXYAQSA-N 487.362 -0.173 50 20 JBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CC(=O)N(C2CCCC2)C1 1793779808 ONJIJVRKOBQDCW-FSTVOOFJSA-N 463.579 -0.260 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1ccc(OC(F)F)cn1 1794455860 OFCCDGNZZLCFQM-ZSBFGKGUSA-N 461.230 -0.120 50 20 JBGD CC(=O)Nc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)ccn1 1795739044 RXUQXHTXHZWWSU-XEMDLRDOSA-N 452.276 -0.763 50 20 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O=C(c1ccc(B(O)O)cc1)N1CCC([C@H]2CCCCN2C(=O)c2cc(=O)n3[nH]cnc3n2)CC1 1827046690 BBDPFOTXXUUGBW-LJQANCHMSA-N 478.318 -0.356 50 20 JBGD CC(C)(C)OC(=O)CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1830801538 VZBFATDABPARQT-DEOSSOPVSA-N 490.362 -0.052 50 20 JBGD Cc1cc(C(=O)NCC(=O)N2CCOC[C@@]3(CN(C(=O)CCBr)CCO3)C2)no1 1834823467 WIBCQINXAHZENN-GOSISDBHSA-N 473.324 -0.046 50 20 JBGD Cc1ccc(O)c(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)c1 1835931636 UOYMMAUSRIMZRO-QHCPKHFHSA-N 454.288 -0.236 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccn3ccnc3c1)CCO2 1836984450 XCMAVYSPHZMOKO-HSZRJFAPSA-N 464.287 -0.602 50 20 JBGD COc1ccc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)cn1 1837456213 KUNATNYLSLAMMG-DEOSSOPVSA-N 498.540 -0.209 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4nccn4c3)C2)C1 1837459172 KYQBHQMRSRHSIH-QHCPKHFHSA-N 479.497 -0.283 50 20 JBGD COC[C@@H](Cl)C(=O)N1CCC(OC2CCN(C(=O)c3cc(=O)n4[nH]nnc4n3)CC2)CC1 1838023156 UXYQSNWCQNSRBC-CQSZACIVSA-N 467.914 -0.321 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3nccn3)CCO2)C1 1839234918 SJIGZBOFOYJIIM-MGPUTAFESA-N 486.957 -0.133 50 20 JBGD O=C(c1cnc2c(c1)CCNCC2)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1839692295 NKKXMIXAUIZRLM-RXVVDRJESA-N 452.939 -0.561 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cc(F)ccn3)C2)C1 1840182755 SQNOOFRSPNSRQW-QFIPXVFZSA-N 465.526 -0.017 50 20 JBGD COC(=O)[C@@H](CC(=O)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1)NC(=O)OC(C)(C)C 1843012537 YEQNIBYSHBNSTL-QGZVFWFLSA-N 489.334 -0.360 50 20 JBGD CCS(=O)(=O)N[C@H](C)C(=O)N1CC2(CCCN2C(=O)CN(C)NC(=O)NCc2ccccc2)C1 1845038263 KUWRIZIKRZWOGW-QGZVFWFLSA-N 494.618 -0.136 50 20 JBGD COC(=O)N1CCC[C@@H](NC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)C1 726717020 JYEDKFPFHRBUPV-OAHLLOKOSA-N 469.520 -0.118 50 20 JBGD Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NNC(=O)N[C@@H]3CCS(=O)(=O)C3)C2)s1 919889651 QVMVSLFWGRNPIQ-QWHCGFSZSA-N 464.591 -0.025 50 20 JBGD Cn1c(=O)n(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]3C2)c2ccccc21 1784092601 NKDAQZXLKYWZAZ-ZZCKCESHSA-N 450.923 -0.081 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCCCC3=O)C[C@@H]21 1788609762 HOHKCYYTOINNDT-WBAXXEDZSA-N 458.519 -0.709 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3nc(CO)[nH]c3c1)C2)c1cccc(B(O)O)c1 1795738778 FTDNALWYNKONLC-VPTLXERWSA-N 464.287 -0.748 50 20 JBGD COC(=O)c1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)cc1 1797754020 JHCMETLITGUBLL-UPHUGPLXSA-N 481.509 -0.082 50 20 JBGD C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN(C)NC(=O)NCc1ccccc1)n1cnnn1 1799098189 ATSDTVWJZLXFMP-PHXBYCTMSA-N 485.549 -0.830 50 20 JBGD O=C1CC[C@@H](C(=O)N2CSC[C@@H]2C(=O)N2CCC3(CCCN(C(=O)[C@H](O)CCl)C3)CC2)N1 1805525613 AZTMTWYRRGANHD-ARFHVFGLSA-N 487.022 -0.003 50 20 JBGD Cc1cc(C(=O)NCC(=O)NC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)no1 1810376438 QOCKBHALWCBKRS-PGRDOPGGSA-N 491.313 -0.193 50 20 JBGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1)c1n[nH]c2c1CS(=O)(=O)C2 1817682929 ZRLCWOAMHGELCE-KRWDZBQOSA-N 498.330 -0.139 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCC([C@H]2CCCCN2C(=O)CN2CC(=O)NC2=O)CC1 1824973099 YYLRDINASIVPRX-MRXNPFEDSA-N 450.540 -0.469 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCC([C@H]2CCCCN2C(=O)CN2CCS(=O)(=O)CC2)CC1 1824974266 JYZNXAJYOJJSSZ-OAQYLSRUSA-N 491.419 -0.670 50 20 JBGD CC(C)(C)OC(=O)CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1830800391 DYQMXQHLWSQWLQ-DEOSSOPVSA-N 490.362 -0.052 50 20 JBGD CS(=O)(=O)N1CCC(C(=O)N2CCC(N3CCC(NC(=O)[C@@H](O)CCl)CC3)CC2)CC1 1833310563 RURVJUUEQRSTMW-SFHVURJKSA-N 479.043 -0.171 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)CCC(=O)N3CCCC3)CC2)CC1)c1ccc(B(O)O)cc1 1834797468 LROALRAADLUBOV-UHFFFAOYSA-N 484.406 -0.046 50 20 JBGD N#Cc1ccc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)cc1 1835926577 SNXQLCHQFCHNMF-VWLOTQADSA-N 477.326 -0.059 50 20 JBGD C[C@H](Oc1ccccn1)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835934524 WYHIAPOWUANCKE-GAJHUEQPSA-N 469.303 -0.701 50 20 JBGD O=C(c1cnc2ccoc2c1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835935465 FZALDBTVRDUSJO-HSZRJFAPSA-N 465.271 -0.109 50 20 JBGD O=C(Cc1ccccc1O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835940019 SUYCBHWKNKOCIU-QHCPKHFHSA-N 454.288 -0.615 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1Cc3ccccc3O1)CCO2 1836654054 MGLGNBHBSUHDDH-XXBNENTESA-N 460.531 -0.181 50 20 JBGD C[Si](C)(C)OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc3n(n1)CCCNC3=O)CCO2 1836781356 SQHWQMZCMRJHBB-NRFANRHFSA-N 479.610 -0.062 50 20 JBGD CC(C)[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837456851 QYPNXLKZWKRQBG-OXJNMPFZSA-N 451.549 -0.291 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C=O)s3)C2)C1 1837457799 RSLXDHBVZXZTHO-OAQYLSRUSA-N 473.511 -0.057 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(O)c(F)c1)CCO2 1839303932 DKJHMPCHDPQOST-JOCHJYFZSA-N 458.251 -0.405 50 20 JBGD 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C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](N)c1ccccn1 1795610575 KZRGRUKAMBITSK-CCUKWKCUSA-N 453.503 -0.195 50 20 JBGD O=C(/C=C1\C(=O)Nc2ccccc21)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1797659098 FDYACFKVQMXHJX-GDWXXPKMSA-N 461.283 -0.395 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc2ccc(F)cn2n1 1800133288 BHJBQXMBHWKZSD-DPIQGUFMSA-N 468.449 -0.616 50 20 JBGD COCCOCCOCCOCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Br)C2 1800848826 DCPPFKOBZKEWSW-YALNPMBYSA-N 485.347 -0.037 50 20 JBGD CC(C)(C)OC(=O)NCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1801954292 FXYGFPOPHGIWJX-HGKCTWBKSA-N 461.324 -0.516 50 20 JBGD O=C([C@@H](O)CCl)N1CCC([C@H]2CCCCN2C(=O)CN2CCS(=O)(=O)CC2)CC1 1824975613 AVMFMKMWYGHNPQ-SJORKVTESA-N 450.001 -0.064 50 20 JBGD CC(=O)N/C(=C\c1ccco1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830732859 BXEFPFATEGNRKX-ZGPVROFDSA-N 455.895 -0.187 50 20 JBGD CC(C)(C)OC(=O)N1CC(=O)C[C@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1830885443 FLRWDVSOCNZSGH-CKJXQJPGSA-N 489.953 -0.379 50 20 JBGD CCS(=O)(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1 1831324304 RWOULNASSCNVTL-QAPCUYQASA-N 465.645 -0.378 50 20 JBGD Cc1noc(C)c1CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1832556913 KHQQCMPGNSIOPB-QFIPXVFZSA-N 472.502 -0.397 50 20 JBGD CCc1nn(C)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)c1Cl 1833593514 PZHQJAJBEMXCKS-JOCHJYFZSA-N 490.753 -0.301 50 20 JBGD O=C(C[C@H]1NC(=O)NC1=O)NC1CCN(C2CCN(C(=O)CCBr)CC2)CC1 1833761082 KJVJFCKALGJUDC-CQSZACIVSA-N 458.357 -0.059 50 20 JBGD O=C(CCBr)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCCS3(=O)=O)C2)C1 1834825511 ZIASLQLLSFHDMY-CZUORRHYSA-N 453.355 -0.195 50 20 JBGD CN(CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1)C(=O)OC(C)(C)C 1835210908 OXZDZUCRBWADQQ-HSZRJFAPSA-N 491.350 -0.697 50 20 JBGD Cc1nccn1[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835934154 NFPHTIHBADYMAI-AOMKIAJQSA-N 456.308 -0.797 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(CN(C(=O)c3nc4ccccn4n3)CCO2)C1 1836394383 KBVGCIKLWPCYCG-JOCHJYFZSA-N 480.485 -0.888 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(O)nc(O)c1)CCO2 1836417402 PYEADAOLBUGLOT-PWYGXMRTSA-N 486.485 -0.303 50 20 JBGD CC(=O)OC[C@H](OC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)CCBr)C2)C1 1837494794 ATEIBGJDGIWBKU-YJBOKZPZSA-N 479.324 -0.277 50 20 JBGD COCc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)c1 1838516585 LSYBZFVLOJANKL-JOCHJYFZSA-N 457.292 -0.775 50 20 JBGD CC(C)c1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)n[nH]1 1838701489 BYOZBHCYZXVXMP-NRFANRHFSA-N 450.540 -0.024 50 20 JBGD CCOC(=O)c1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)ccn1 1838719437 WBMNDZXAUFLVOP-UZLBHIALSA-N 455.895 -0.072 50 20 JBGD COc1cccc(OC)c1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1838881652 LDNRMMWWISNBAE-DEOSSOPVSA-N 484.314 -0.233 50 20 JBGD Cn1cc2cc(C(=O)N3CCO[C@]4(COCCN(C(=O)c5cnccc5C(=O)NN)C4)C3)ccc2n1 1839505361 JHMZGQQNPHGLKH-XMMPIXPASA-N 493.524 -0.044 50 20 JBGD COC(=O)[C@@H]1CCC[C@@H](C(=O)N2CCOC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)C1 1840184692 BESRJFCDDOTHHA-PMAPCBKXSA-N 482.578 -0.205 50 20 JBGD C[C@@H](Cc1ccco1)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1840469610 QTIVVGFBCYXYML-GAJHUEQPSA-N 456.304 -0.092 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCCSC1)CCO2 1840864627 MYACAXMVWNIBRX-BTYIYWSLSA-N 463.560 -0.102 50 20 JBGD C[C@@H](O)[C@H](NC(=O)c1ccccc1)C(=O)N1CCCC12CN(C(=O)CCC(=O)NN(C)C)C2 1841225155 WEVBRMFNCVZDEF-UZLBHIALSA-N 459.547 -0.258 50 20 JBGD CC(=O)N1CCC(N2CCC(C(=O)N3CC4(CCCN4C(=O)c4cccc(B(O)O)c4)C3)CC2)CC1 1843014019 OEAWNIJVSHNBNX-UHFFFAOYSA-N 496.417 -0.094 50 20 JBGD CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](C(=O)N2CC3(CCCN3C(=O)c3cnccc3C(=O)NN)C2)C1 1844264891 VYYKPJZQYUQQMS-DLBZAZTESA-N 488.545 -0.270 50 20 JBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NCc2ccc(S(N)(=O)=O)s2)cc1 915906112 JRAQXSYVGOTYLG-UHFFFAOYSA-N 475.574 -0.145 50 20 JBGD COCCN1C(=O)/C(=C/NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)C(=O)NC1=S 920976498 VNQLJOYKHAPNTO-NTCAYCPXSA-N 481.556 -0.521 50 20 JBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](F)Br)C2)[C@@H](O)N1CCOCC1 1779415391 JCFKYYYCSMCETP-BQGCOEIASA-N 452.321 -0.159 50 20 JBGD Cn1nc(C(F)(F)F)cc1C(=O)N1CC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1779654115 ARSDZDBQHNLADF-LJQANCHMSA-N 466.225 -0.124 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)C2 1782214353 OHGQPELEEKUMPN-IIBYNOLFSA-N 454.572 -0.754 50 20 JBGD O=C1CC[C@@H](C(=O)N2CSC[C@@H]2C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@H](F)Cl)CCO3)N1 1782873376 SASQPGFWIIUYMT-WKZPIUISSA-N 462.931 -0.469 50 20 JBGD CC[C@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)c3cc(=O)n4[nH]nnc4n3)CCO2)C1 1783343706 WICQHWHJUWEXMV-QFYYESIMSA-N 454.285 -0.570 50 20 JBGD CCOC(=O)N1CCC(C(=O)N2CC[C@@]3(CN(C(=O)c4cnccc4C(=O)NN)CCO3)C2)CC1 1785373672 CDEJRBDLNYQNPY-QHCPKHFHSA-N 488.545 -0.003 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@@]2(CCN(C(=O)CN3C(=O)CSC3=S)C2)C1 1785539987 JAYUPZXDCPNBDS-CCULFSDZSA-N 492.583 -0.189 50 20 JBGD CC(=O)N[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1)C(C)(C)C 1788607754 FBLXNCSITWEBCW-UDTPNQRGSA-N 474.562 -0.171 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)[C@@H]1CC[C@H]2CCC(=O)N2C1 1789768234 BZQWTPNKCLGCOY-DIZVHYTASA-N 469.347 -0.639 50 20 JBGD CCS(=O)(=O)N[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)CBr)C2 1793309836 LAMFYALWANPSTC-XGFWRYKXSA-N 454.387 -0.065 50 20 JBGD COc1cc(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)ccn1 1795737226 HJCWRYWCNOKPCF-OPMZPASUSA-N 453.304 -0.394 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc2[nH]ncc2c1 1797345656 JVNIHFJKBULKHD-XOIINTDNSA-N 450.459 -0.527 50 20 JBGD Cc1nc[nH]c1CSCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1797662605 QJWANLMMEQCMGD-CWPLJXCYSA-N 458.349 -0.465 50 20 JBGD C[C@H](NC(=O)c1cnccn1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(B(O)O)c1)C2 1798550466 VNAUNHNXEPIWRT-RUGDWHBFSA-N 451.292 -0.773 50 20 JBGD CN(CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cn1cnnn1)C2)NC(=O)NCc1ccccc1 1799871546 MVRPXOUUYJQFAX-BCDXTJNWSA-N 455.523 -0.343 50 20 JBGD CN1CCN(CC(=O)NC[C@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)CC1 1809600146 DGLPBUQGYBHRGJ-OFNKIYASSA-N 465.363 -0.672 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H](CNC(=O)CNC(N)=O)[C@H]1c1cccnc1 1814224139 FMPRQAJRIDUJAX-PRBGLLFOSA-N 454.491 -0.110 50 20 JBGD CCOC(=O)N[C@H](O)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827052259 RIQYBRAKDIIECW-RTBURBONSA-N 461.324 -0.336 50 20 JBGD CN[C@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)CBr)CCO2)C(=O)O 1830538063 VATAHFSXWSYECU-AHIWAGSCSA-N 450.330 -0.464 50 20 JBGD CC[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)C[C@@H]3NC(=O)NC3=O)CCO2)C1 1832696006 AYSFBLJBXPATJB-NVGCLXPQSA-N 461.313 -0.786 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1n[nH]c(C3CC3)c1F)CCO2 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CCNC(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C2)C1 1837380813 DXBICZRJBFCCDF-IWRDYSNRSA-N 491.549 -0.716 50 20 JBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](CCO)NC(=O)OC(C)(C)C)C2)C1 1840151366 ZKQQZGWLMDUARP-QYWGDWMGSA-N 493.985 -0.028 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cn4ccsc4n3)C2)C1 1840184262 FZBSYSBCEFZYKN-HXUWFJFHSA-N 464.548 -0.161 50 20 JBGD COC(=O)[C@@H]1CC=CC[C@H]1C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840185040 KARVGVLHSVAYGB-PMAPCBKXSA-N 480.562 -0.429 50 20 JBGD Cc1nc(S(=O)(=O)NCC(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)cn1C 725877740 IPBOZLRIYZSRGY-UHFFFAOYSA-N 463.564 -0.633 50 20 JBGD O=C1CN(S(=O)(=O)c2cccc(C(=O)NNC(=O)[C@@H]3COc4ccccc4O3)c2)CCN1 906473668 UDPCWVGWFGXPAT-KRWDZBQOSA-N 460.468 -0.592 50 20 JBGD C[C@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2)[C@@H]1SC(=N)NC1=O 1778080454 JGTFWUDTWGJUTI-QBCAUPEHSA-N 488.375 -0.704 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(C1)CN(C(=O)c1[nH]nc3ccncc13)CCO2 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Cc1nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)sc1C 1838406957 JSBRQBJYIVFHFJ-OAQYLSRUSA-N 459.333 -0.176 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)c1cc(O)ccc1O)CCO2 1839447098 KMVXVWFQUHIBNW-QFIPXVFZSA-N 456.260 -0.839 50 20 JBGD C[C@H](Cc1ccccn1)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1840332197 OQYXXHNDICLSMN-HOYKHHGWSA-N 467.331 -0.290 50 20 JBGD CCn1cnc2c1c(=O)n(CC(=O)NNC(=O)c1ccnn1C)c(=O)n2Cc1ccccc1 745421516 PBDIEVGDBOUQQS-UHFFFAOYSA-N 450.459 -0.377 50 20 JBGD CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NNC(=O)N1CCOCC1 745992013 RFJIPEWVLAXDKT-AWEZNQCLSA-N 482.968 -0.505 50 20 JBGD COCc1oncc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2 1778342634 WVWFSOPCODFGJJ-DENIHFKCSA-N 457.292 -0.058 50 20 JBGD CN(CC(=O)N1CC[C@]2(C1)CN(C(=O)Cn1cncn1)CCO2)NC(=O)NCc1ccccc1 1780970480 WMMISNOIYTWJSK-QFIPXVFZSA-N 470.534 -0.546 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)c3ccccc3C(N)=O)C2)C1 1781757866 KOLOOAFFFKNPJZ-QFIPXVFZSA-N 452.471 -0.459 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)[C@H]3C[C@@]34C(=O)Nc3ccccc34)C2)C1 1783495530 YHIRMDPXLPWYJN-WVQWTBLQSA-N 475.310 -0.280 50 20 JBGD Cn1cccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cnccc4C(=O)NN)C[C@@H]32)c1=O 1784731700 AVEXHNXHCIGBJP-KKXDTOCCSA-N 454.487 -0.709 50 20 JBGD C[C@H](Cn1cncn1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1 1788611265 RRSMUBMQUPQFAV-BODMPHMZSA-N 456.507 -0.794 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnn4c3OCCC4)[C@H]2C1 1790369841 FEXBEWDDXXCJFW-KKXDTOCCSA-N 469.502 -0.429 50 20 JBGD CN(CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnn(C)c1)C2)NC(=O)NCc1ccccc1 1799095076 SQRFVACNFYZNPZ-CEQLMSFQSA-N 469.546 -0.031 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)CN2CCS(=O)(=O)CC2)[C@@H]1c1cccnc1 1804195632 GERRDCIEPMXOLB-AVRDEDQJSA-N 494.618 -0.809 50 20 JBGD C[C@H](CS(C)(=O)=O)C(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807364744 JYEBFJIISYQBIF-ZTNFWEORSA-N 473.360 -0.238 50 20 JBGD O=C(COc1ccc(O)nn1)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1812351187 QNHRHWSYKOUTHX-VGOFRKELSA-N 477.286 -0.344 50 20 JBGD CC(C)[C@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN(C)NC(=O)NCc3ccccc3)C2)C1 1830872201 URXVHYKBICRPQY-XUZZJYLKSA-N 491.589 -0.194 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)CN(CCO)CCO)CC1 1831487210 ACCGQBPVAWEBAS-FQEVSTJZSA-N 476.578 -0.795 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnn(C)c1C(F)(F)F)CCO2 1833329751 IMTAZFAMFWOPNG-LJQANCHMSA-N 490.483 -0.118 50 20 JBGD Cc1nc2ccc(F)cn2c1C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835932260 WUYQGUCHNSXWIK-DEOSSOPVSA-N 496.304 -0.155 50 20 JBGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)NC(=O)c3ccccn3)CCO2)C1 1839667268 GTOVNWSMMAOWAT-GCKMJXCFSA-N 468.938 -0.090 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)C1CCC3(CC1)OCCO3)CCO2 1839774123 HAEUSKZGYNYYCZ-QHCPKHFHSA-N 488.346 -0.630 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CNC(=O)C1)CCO2 1839873091 VHKFFMSNMIJIIS-NYHFZMIOSA-N 490.469 -0.274 50 20 JBGD CC[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(=O)n4[nH]nnc4n3)C2)C1 1839964155 ITCKECFSTVXPEX-GTNSWQLSSA-N 484.311 -0.944 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@](C)(O)C(F)(F)F)C2)C1 1840182319 GTFGAIZZNBLTKQ-SJORKVTESA-N 454.446 -0.871 50 20 JBGD CCOC(=O)O[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840184964 IGISGHLRKZFCJT-YWZLYKJASA-N 458.512 -0.623 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)c2nc3c(=O)[nH]c4ccccc4n3n2)C1 1843808801 MPVLDAJAQPKRKQ-UHFFFAOYSA-N 472.270 -0.619 50 20 JBGD COc1cc(C(=O)NNC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)cc(OC)c1OC 18227630 JUASTJNIZOTWCM-UHFFFAOYSA-N 460.447 -0.689 50 20 JBGD COCCNS(=O)(=O)c1ccc(C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1 811837718 AKHLWDZUKJPOEQ-SFHVURJKSA-N 493.494 -0.245 50 20 JBGD CN(CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cccc(=O)n1O)CCO2)NC(=O)NCc1ccccc1 1780968915 KPRGTJGFDZJMMI-DEOSSOPVSA-N 498.540 -0.125 50 20 JBGD CN(CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cncn3)[C@H]2C1)NC(=O)NCc1ccccc1 1787088630 OSXKJJRMJLGCBT-UFYCRDLUSA-N 484.561 -0.396 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3(N4CCN(C)CC4)CC3)C[C@@H]21 1787507601 IIYDFNCJVLIQPO-INOWORCRSA-N 499.616 -0.120 50 20 JBGD Cc1cc(C(N)=O)cc(C)c1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1788596765 WRCPUCLMCFJHGP-YYWHXJBOSA-N 479.342 -0.011 50 20 JBGD CC(=O)Nc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)o1 1788606215 ZFTXTBRZGVUBRI-IEZWGBDMSA-N 455.276 -0.175 50 20 JBGD C[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1)[C@H]1SC(=N)NC1=O 1788610184 IJURIDRHCUQXLJ-GVNCQOTDSA-N 489.558 -0.919 50 20 JBGD COc1ncccc1CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1794092417 RQLJGUSLOIBUAI-RMFSNUHRSA-N 453.304 -0.394 50 20 JBGD CN(CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc[nH]n1)NC(=O)NCc1ccccc1 1796030973 PRBLPBCOJWUYDW-ALXJQNPVSA-N 456.507 -0.646 50 20 JBGD CN(C)C(=O)NCC(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807366969 WJMXJRDTEKTQGT-FXAWDEMLSA-N 453.308 -0.648 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@H]1CCN(C(=O)CN2C(=O)C=CC2=O)[C@@H]1c1cccnc1 1810304183 ANAIDQIGGYTDJM-QVKFZJNVSA-N 477.481 -0.675 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H](CNC(=O)CN(C)C(=O)C(=O)O)[C@@H]1c1cccnc1 1812389753 LVUSWYAARTXOKX-VQMZYRHSSA-N 497.512 -0.236 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3n(n2)CCNC3=O)n[nH]1 1816624697 DVSUDEFAFPWKSW-INIZCTEOSA-N 492.500 -0.032 50 20 JBGD CC(C)c1nc(CC(=O)N2CCO[C@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)no1 1832791739 METLYCUODFQNCL-NRFANRHFSA-N 466.539 -0.435 50 20 JBGD Cn1nncc1C(=O)NC1CCN(C2CCN(C(=O)c3cnccc3C(=O)NN)CC2)CC1 1833897859 MWQUQKASFZLRJX-UHFFFAOYSA-N 455.523 -0.687 50 20 JBGD C[C@@H](CS(C)(=O)=O)C(=O)N1CCOC[C@]2(CN(C(=O)CCBr)CCO2)C1 1834819301 KVLFOTQQYXDTCE-BBRMVZONSA-N 455.371 -0.092 50 20 JBGD CCNC(=O)N[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3cnccc3C(=O)NN)CC2)CC1 1835709122 DRZACIITJNGGST-HNNXBMFYSA-N 488.593 -0.422 50 20 JBGD COc1cccc(OC)c1C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835931671 WXDDXBPGFHPEBF-XMMPIXPASA-N 484.314 -0.233 50 20 JBGD COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835933914 INZWPXWCEBBDKA-ROKPMTFOSA-N 486.330 -0.808 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4n(n3)CCCO4)C2)C1 1837458973 GRUZBILUPWSHPU-QFIPXVFZSA-N 485.501 -0.952 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(CN(C(=O)C(=O)Nc3cccnc3)CCO2)C1 1837629223 CVNSTNPFKZJIOT-JEWPKMHUSA-N 497.512 -0.390 50 20 JBGD CC(C)(C)n1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)nn1 1838756792 UALLJXSBHDPELK-JOCHJYFZSA-N 471.323 -0.903 50 20 JBGD Cc1cc(C)n(CC(=O)N2CCOC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)n1 1840182756 SWBHSJQEUBRSHI-NRFANRHFSA-N 450.540 -0.671 50 20 JBGD COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)cc2)[nH]1 915188982 OOQTWIPMTBCRQA-UHFFFAOYSA-N 462.426 -0.068 50 20 JBGD COCCn1cnc2c1c(=O)n(CC(=O)NNC(=O)C[C@H]1CCCO1)c(=O)n2Cc1ccccc1 915637309 QARDBCFMLLCLLU-QGZVFWFLSA-N 484.513 -0.229 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](N)Cc2cccnc2)C1 1778056454 LXECHKHVZGFLNR-YCRNBWNJSA-N 460.579 -0.162 50 20 JBGD C[C@H](NC(=O)c1ccccn1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2 1781489128 SUMBNAGJLMAZQJ-SMTRDTIPSA-N 494.357 -0.293 50 20 JBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cncn1-c1ccncc1 1794467489 WNZNLZXRBLUUCJ-VPTLXERWSA-N 455.519 -0.157 50 20 JBGD C[C@H](NNc1ccccc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795732655 HJAJYPMFTNTQSH-JWVYWZTKSA-N 452.320 -0.425 50 20 JBGD Cc1c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)ccc2c1OCCO2 1796249059 FTWIZJGJCPCJQK-UPHUGPLXSA-N 466.299 -0.037 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccn(C)c1=O)C2 1796439557 LCFKZDALWNRFBV-FJABVQHVSA-N 454.487 -0.278 50 20 JBGD CC(=O)Nc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)cc1O 1799847641 BBMOPUMYMRSUIE-YVWYUNDQSA-N 482.497 -0.134 50 20 JBGD CC(C)(C)OC(=O)N1CC2(CC(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)[C@@H](O)CCl)C4)=NO2)C1 1800709936 OHCGWCWKOHJDQI-XRGAULLZSA-N 486.953 -0.059 50 20 JBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN1C(=O)c3ccccc3C1=O)C2 1801010705 QOKRZGCYAUMXCR-MFKICJERSA-N 485.541 -0.365 50 20 JBGD C[C@@H](NNc1ccccc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1829815302 XCLWCNXIAFYGPJ-WZONZLPQSA-N 476.578 -0.179 50 20 JBGD CS(=O)(=O)c1cncc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)c1 1830725001 KWBDTLZVHGHTPK-CRAIPNDOSA-N 461.924 -0.845 50 20 JBGD CO[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](O)CCl)CCO2)C1 1830725059 DDLHOPWPMUBVJU-YUWJWYLASA-N 493.985 -0.029 50 20 JBGD COc1ccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)cn1 1832579436 QIMFWWSQXNYAPR-XMMPIXPASA-N 498.540 -0.209 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)c3cnn4c3OCCC4)CC2)CC1)c1ccc(B(O)O)cc1 1834799035 LEAUJFQEPVCBFU-UHFFFAOYSA-N 481.362 -0.156 50 20 JBGD CCC[C@@H](NC(C)=O)C(=O)N1CCC(N2CCC(NC(=O)c3cccc(B(O)O)c3)CC2)CC1 1834801406 GXYVJUAIHAIVFQ-JOCHJYFZSA-N 472.395 -0.144 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)c3cn4cc(F)ccc4n3)C2)C1 1835937156 QKVWEWLUCLCISN-QHCPKHFHSA-N 482.277 -0.463 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)c1nccc3occc13)CCO2 1836290870 VHXXXXXQGQAQPR-QHCPKHFHSA-N 465.271 -0.109 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1noc3c1CCCC3)CCO2 1836430148 RPFLFHIACJORBO-QFIPXVFZSA-N 463.535 -0.004 50 20 JBGD CC(C)(C)OC(=O)CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnccc1C(=O)NN)CCO2 1837456911 RZTFRQUUOVPELS-JOCHJYFZSA-N 477.518 -0.513 50 20 JBGD COCc1oncc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837457872 UGISBEPUSVTZIL-NRFANRHFSA-N 474.474 -0.797 50 20 JBGD C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1)N1C[C@@H]2C[C@H]2C1 1837459428 OTFBCRUTFGYPDL-XPGVTRPJSA-N 472.546 -0.905 50 20 JBGD C=CC(=O)N[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3cnccc3C(=O)NN)CC2)CC1 1838394011 KFNYCBOPFJSDBA-HNNXBMFYSA-N 472.546 -0.012 50 20 JBGD COCc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)c1 1838519223 BXKNIQBSXRPZKC-NRFANRHFSA-N 451.524 -0.396 50 20 JBGD COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)c(C#N)c1 1839132879 UEWNMMCMQQFXAT-DEOSSOPVSA-N 487.557 -0.061 50 20 JBGD Cc1nccn1[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1840493032 PKZCHLBCIJMQTQ-KKSFZXQISA-N 450.540 -0.418 50 20 JBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)CN3C(=O)N[C@](C)(C4CC4)C3=O)cc2)CC1 728213077 DNNMCKGFUMJGKZ-HXUWFJFHSA-N 464.548 -0.214 50 20 JBGD Cn1ncc2c(O)nc(CCC(=O)OCC(=O)NNC(=O)[C@@H]3COc4ccccc4O3)nc21 728314277 NIZNGNTVBWKCQZ-AWEZNQCLSA-N 456.415 -0.468 50 20 JBGD Cc1csc(CC(=O)NNC(=O)COC(=O)c2ccc(S(=O)(=O)N[C@H](C)CO)cc2)n1 728721742 FTZAMKWCWXPRQF-LLVKDONJSA-N 470.529 -0.342 50 20 JBGD CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 729275018 JOHJCLRYQDRNSM-OCCSQVGLSA-N 466.607 -0.520 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)Cc3cn4c(nc3=O)SCC4)CCO2)C1 1779032820 WTYUEPZGBLYUPN-JOCHJYFZSA-N 499.553 -0.966 50 20 JBGD CN(CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CCC(=O)NC1)CCO2)NC(=O)NCc1ccccc1 1780970355 WUIGFACVSKTHHZ-DVECYGJZSA-N 486.573 -0.311 50 20 JBGD O=C(CS(=O)(=O)N1CCCC1)N1CCO[C@@]2(CCN(C(=O)[C@@H](F)Br)C2)C1 1781331607 TWOPAFOTRVDYGH-HIFRSBDPSA-N 456.334 -0.068 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)c3cnc4c(c3)CCNCC4)C2)C1 1782730353 GHTXQIOKSVCUOQ-QHCPKHFHSA-N 458.563 -0.414 50 20 JBGD CN(C)c1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)nc1 1785748045 NXVYEWAHIKPSSM-LRQRDZAKSA-N 452.320 -0.266 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnncc1C(=O)O)C2 1796441742 XERBJYRJGBUYSV-IZJYNLIKSA-N 469.458 -0.488 50 20 JBGD Cc1cc2nnc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)c3cnccc3C(=O)NN)C4)c(C)n2n1 1796926142 BUVWECMCWQCCEX-HBCWATKFSA-N 479.501 -0.743 50 20 JBGD COC[C@H](NC(C)=O)C(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807373360 ACUZGWGSSSTEFB-GIVPXCGWSA-N 468.319 -0.768 50 20 JBGD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1)c1cc2n(n1)CCNC2=O 1816623581 BPYXYZJBRLWTHV-QGZVFWFLSA-N 477.290 -0.351 50 20 JBGD CN(C)c1cccc(OCC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)c1 1832526628 CCONAZPYBYSXKH-VWLOTQADSA-N 497.357 -0.419 50 20 JBGD O=C(CCN1CCOCC1)NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1834636780 YFSKNFTZSFXGHV-UHFFFAOYSA-N 472.395 -0.726 50 20 JBGD N#C/C(=C\c1ccc(F)cc1F)C(=O)N1CCOC[C@@]2(CN(C(=O)CC[C@H](N)C(N)=O)CCO2)C1 1835748352 SQYBSUIPHWDXGJ-ZGOLIUOYSA-N 491.495 -0.079 50 20 JBGD CN1CCC(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)CC1 1835926548 RCZGHFNBIXOMMF-HSZRJFAPSA-N 459.352 -0.832 50 20 JBGD Cc1nnc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)s1 1836080451 OIDREVRMKUYEKJ-FQEVSTJZSA-N 475.531 -0.842 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cnnn3)CCO2)C1 1836148547 LFGGEODOWOGZGJ-FQEVSTJZSA-N 489.445 -0.723 50 20 JBGD C[C@@](O)(C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1)C(F)(F)F 1837455984 GZUPGTCNJWPDOB-QZTJIDSGSA-N 475.424 -0.932 50 20 JBGD Cc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)cn1C 1837457989 ZURXETHESBSPNR-QFIPXVFZSA-N 456.503 -0.284 50 20 JBGD O=C1NCCCn2nc(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)[C@@H](F)Br)CCO4)cc21 1839200033 AHHAOYUXVUOSDR-RDTXWAMCSA-N 488.314 -0.223 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)C3CN(C(=O)OC(C)(C)C)C3)C2)C1 1840184258 FTSJYEAHHULBNE-HSZRJFAPSA-N 497.593 -0.317 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C(F)(F)F)nn3C)C2)C1 1840185570 PEVJBMZEYYTHKS-LJQANCHMSA-N 490.483 -0.118 50 20 JBGD Cc1cnn([C@H](C)C(=O)N2CCO[C@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)c1 1840406967 COJYEGPXXSKNAF-UTKZUKDTSA-N 450.540 -0.418 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(CO)c(F)c3)CCO2)C1 1840782753 JPUZGYQTOHCBPR-QHCPKHFHSA-N 487.488 -0.300 50 20 JBGD C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1840907056 OOMKFULDWIAACJ-QYWGDWMGSA-N 473.954 -0.041 50 20 JBGD COCCS(=O)(=O)CC(=O)NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 915638273 CFNKQLDVQWAUGL-UHFFFAOYSA-N 469.541 -0.013 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1C[C@H](O)CN1)C2 1778092839 SDGFDSMHJWAAFU-RUFJDDBZSA-N 460.535 -0.643 50 20 JBGD Cn1c(=O)c(C(=O)N2CCO[C@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)nc2ccccc21 1779031625 BZJQUTWZMMNUJT-DEOSSOPVSA-N 491.508 -0.311 50 20 JBGD COc1ccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2ccc(B(O)O)cc2)C3)nn1 1779951414 RLXXJQUCJRSRIL-XMSQKQJNSA-N 454.292 -0.394 50 20 JBGD C[C@@H](NC(=O)c1ccc(F)cc1)C(=O)N1CC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1780906444 XVOBYSWMIORMOX-VOIUYBSRSA-N 483.305 -0.233 50 20 JBGD Cc1cc(C(=O)N2CCO[C@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)n(-c2cccc(=O)n2C)n1 1783933845 IVVAGOZIMOYHOA-DEOSSOPVSA-N 499.572 -0.304 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cncn3-c3ccncc3)C[C@@H]21)c1ccc(B(O)O)cc1 1786980134 MMHBRKOPWCCQFK-XJABCFGWSA-N 475.314 -0.146 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1cn2ccsc2n1 1788390847 IKHCVHWRBUYYKQ-ZVZYQTTQSA-N 454.317 -0.017 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1ccccc1C(=O)OCCO 1789249656 FNDWTPJDAXXGLJ-HSQYWUDLSA-N 496.325 -0.577 50 20 JBGD Cc1ccc(=O)n(C(C)(C)C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]3C2)n1 1791291484 WELIFJXNNXXGBG-BZSNNMDCSA-N 476.578 -0.360 50 20 JBGD Cn1nc(C(F)(F)F)cc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795740288 OEFQTTMJSSEFCE-FVCICTRLSA-N 466.225 -0.364 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc2cn[nH]c2cn1 1797579162 PIOUFEDNDJKLAV-IVWMJMPLSA-N 450.459 -0.527 50 20 JBGD Nc1n[nH]c(CCC(=O)N2CC[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)n1 1807375344 OKESHMUMPGFLOU-JXFKEZNVSA-N 463.307 -0.586 50 20 JBGD NC(=O)c1nccnc1C(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807375440 OQPYEKSFWSOUHZ-OXQOHEQNSA-N 474.286 -0.716 50 20 JBGD C[C@H](NC(=O)c1cnccn1)C(=O)N1CCC2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)CC1 1809978921 YBGVQEJGYSHXOW-KRWDZBQOSA-N 479.346 -0.180 50 20 JBGD CS(=O)(=O)CCC(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1813573775 ISDIZWOYRBSIMS-XLIONFOSSA-N 459.333 -0.484 50 20 JBGD CC(=O)N1CCN(CC(=O)N[C@@H]2CCc3nc(NC(=O)c4ccc(B(O)O)cc4)sc3C2)CC1 1815344141 KGVCLTUYOBWZON-QGZVFWFLSA-N 485.375 -0.787 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)CN2C(=O)CNC2=O)n[nH]1 1815596756 IUXORBWJDCGLKC-AWEZNQCLSA-N 469.462 -0.734 50 20 JBGD COC[C@@H](Cl)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(=O)n3[nH]nnc3n1)CC2 1825999484 XGWPOLKJTOFZMO-HTQZYQBOSA-N 452.884 -0.251 50 20 JBGD CC(C)(C)n1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)n1 1835927545 SHFLUKPTJWQIDC-HSZRJFAPSA-N 470.335 -0.298 50 20 JBGD COc1ccc(F)cc1CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835934510 WGQPOLOMYCNSKV-DEOSSOPVSA-N 486.305 -0.173 50 20 JBGD Cc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)cc1[N+](=O)[O-] 1835939296 LFZOUUHVZJSVRT-DEOSSOPVSA-N 497.313 -0.104 50 20 JBGD CC(C)(C)OC(=O)NCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835941792 PNMNZDOAFONHKS-QHCPKHFHSA-N 491.350 -0.649 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)C1(C(F)(F)F)CC1)CCO2 1836716319 RUGQSESAGFXTBB-SFHVURJKSA-N 456.226 -0.221 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn4ncccc34)C2)C1 1837457419 ACLJIQSAKRQEBE-QFIPXVFZSA-N 480.485 -0.888 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4cncn4c3)C2)C1 1837459997 YDNAONRZVXBSJD-QHCPKHFHSA-N 479.497 -0.283 50 20 JBGD COc1c(Cl)ccnc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1838726642 DHIRECNZGXVVQI-QFIPXVFZSA-N 489.721 -0.193 50 20 JBGD CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](F)Br)CCO2)C1 1839203674 RQBDIUSNABSNNO-VKJFTORMSA-N 490.330 -0.396 50 20 JBGD C[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)CS(=O)(=O)N3CCCC3)C2)C1 1840032912 NILVPUCNTUVHSM-RHSMWYFYSA-N 482.397 -0.348 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](CN)c3ccccc3)C2)C1 1840184210 XBTMLJNGUPENLQ-AUSIDOKSSA-N 461.563 -0.442 50 20 JBGD CCn1cnc2c1c(=O)n(CC(=O)NNC(=O)c1ccc(C)[nH]c1=O)c(=O)n2Cc1ccccc1 108404930 VNHAJSNUOIDJIB-UHFFFAOYSA-N 477.481 -0.114 50 20 JBGD CN(CC(=O)N1CC[C@]2(C1)CN(C(=O)c1nc[nH]n1)CCO2)NC(=O)NCc1ccccc1 1780970001 QDARWAQGJPFUQX-NRFANRHFSA-N 456.507 -0.406 50 20 JBGD CC(=O)N/C(=C\c1ccco1)C(=O)N1CC[C@@]2(C1)CN(C(=O)c1cnccc1C(=O)NN)CCO2 1781865627 SOZIISUEWDLDFA-CGXXIYPPSA-N 482.497 -0.101 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=O)c1cc(C)on1)C2 1796442022 NLEDLRPUNGKKGG-DHMDNZFNSA-N 485.501 -0.564 50 20 JBGD C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807366918 VXWBDWQRRAFCML-AADRGNLSSA-N 462.315 -0.061 50 20 JBGD CC(=O)OC[C@H](OC(C)=O)C(=O)NC[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1810340071 FNUUQPPUJWRFRD-CNNODRBYSA-N 491.545 -0.045 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)c2cc(=O)n3[nH]cnc3n2)[C@H]1c1cccnc1 1813070498 IBRXJDPHXFTPJL-YWZLYKJASA-N 481.517 -0.495 50 20 JBGD CN1CCN(C2(C(=O)N[C@@H]3CCc4nc(NC(=O)c5ccc(B(O)O)cc5)sc4C3)CC2)CC1 1815343897 VRJDHHXYFDIZGV-QGZVFWFLSA-N 483.403 -0.171 50 20 JBGD CC(=O)N1CCN(CC(=O)N2CCCC[C@@H]2c2cc(NC(=O)CCC(=O)NN(C)C)n[nH]2)CC1 1822415822 JEQAVKZNOMQPMB-GOSISDBHSA-N 476.582 -0.061 50 20 JBGD O=C(COC(=O)C(F)(F)F)NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1835687391 YNFWUHKQBFVJSK-UHFFFAOYSA-N 485.268 -0.343 50 20 JBGD COc1ccc([C@H](O)C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)cc1 1835926481 ORXKGMCMEYOZQY-XUZZJYLKSA-N 484.314 -0.821 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)[C@H]3COc4ccccc4O3)C2)C1 1835927200 LMIDDFWYVQSPOS-ZJSXRUAMSA-N 482.298 -0.724 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCc4ccccc4O3)C2)C1 1835932100 NTYMWEIHORLUDT-DHLKQENFSA-N 480.326 -0.170 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccccc3F)C2)C1 1837460623 HVWXEUQBIFQCNG-QHCPKHFHSA-N 487.488 -0.027 50 20 JBGD O=C(Cn1cnc2ccccc21)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1840101279 FVAVBTHSDWXLKQ-XMMPIXPASA-N 478.314 -0.514 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4nc(CO)[nH]c4c3)C2)C1 1840184476 PFRJNIRXEUMDSV-QHCPKHFHSA-N 488.545 -0.502 50 20 JBGD CCOC(=O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840187374 WATBOSZZBIJTMW-OAQYLSRUSA-N 456.540 -0.595 50 20 JBGD CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCO[C@@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1 1840371669 WQXWSNYXCAGYFO-WIYYLYMNSA-N 481.626 -0.235 50 20 JBGD O=C(CCCNS(=O)(=O)c1ccc2c(c1)OCCCO2)NNC(=O)CN1CCCC1=O 789857378 DJAQXDYPTMISLB-UHFFFAOYSA-N 454.505 -0.324 50 20 JBGD N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)CC2)cc1 807135561 KXQLCSNYMWSRQD-UHFFFAOYSA-N 481.498 -0.105 50 20 JBGD O=C1CN(C(=O)c2ccc(CNC(=O)NNC(=O)[C@H]3COc4ccccc4O3)cc2)CCN1 916391914 NIRUPSYHJUUYIU-GOSISDBHSA-N 453.455 -0.071 50 20 JBGD COc1cc2c(cc1OC)[C@@H](CC(=O)NNC(=O)NC[C@H]1COCCO1)N(S(C)(=O)=O)CC2 918108487 KHMWPFPAFROXNP-GOEBONIOSA-N 486.547 -0.302 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCN2CCOC2=O)C1 1778782433 YNUYABNCRRAOTC-VGOFRKELSA-N 474.518 -0.345 50 20 JBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2)c1cc2n(n1)CCCO2 1779033983 KTQNXDNIZDSANZ-AUSIDOKSSA-N 468.319 -0.213 50 20 JBGD CC[C@@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)CCO2)C1 1781214735 BQEAFYQDNMQLTC-ZUOKHONESA-N 466.926 -0.719 50 20 JBGD CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1781351404 NEAKLUDZIWKEDQ-JPYJTQIMSA-N 491.350 -0.914 50 20 JBGD CC[S@](=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21 1788490215 XSSUBHKLKYKNTO-YOZJXMOJSA-N 451.549 -0.563 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CN(Cc3ccccc3)CCO1)C2)c1ccc(B(O)O)cc1 1795734074 AWRPLRISIKCWKE-CBJLPSGESA-N 493.369 -0.529 50 20 JBGD COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)n1 1796720339 WHTVXRHVDGESCN-DPIQGUFMSA-N 485.457 -0.486 50 20 JBGD CC[C@@H](NC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN(C)NC(=O)NCc1ccccc1 1799095374 PMOVKRFCMTXSDC-XAPVIXHLSA-N 488.589 -0.163 50 20 JBGD CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)Br)C2 1801289192 NLJDBEBELYKVNV-MIGXYKPQSA-N 456.341 -0.170 50 20 JBGD O=C(NC[C@@H]1CCN(C(=O)c2nc3ncccn3n2)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807361806 JKQZHYCKPPRXJH-PKOBYXMFSA-N 471.286 -0.168 50 20 JBGD C[C@@H](C(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1)N1CCN(C)CC1 1807894213 ZLODILOEBRNUQZ-QTGUNEKASA-N 479.390 -0.283 50 20 JBGD O=C(Cn1ccncc1=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1812341762 NSELDHCOHDNHSC-AVRDEDQJSA-N 461.287 -0.662 50 20 JBGD O=C1NC(=O)[C@@H](CC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(B(O)O)c3)CC2)N1 1827056192 QCJOIFRZDSLVMZ-MSOLQXFVSA-N 456.308 -0.802 50 20 JBGD CN(CC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1)C(=O)C(=O)O 1827060530 NPRGNMOJUYPACP-SFHVURJKSA-N 459.308 -0.857 50 20 JBGD O=C1CC(C(=O)N2CCN(C(=O)OCc3ccccc3)[C@]3(CCN(C(=O)[C@H](O)CCl)C3)C2)=NN1 1829121635 WBXYNYOQMXSDLG-VGSWGCGISA-N 491.932 -0.086 50 20 JBGD CC(C)(C)OC(=O)NCCOCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830726855 USKMPJOTGLIHDT-HRAATJIYSA-N 493.985 -0.026 50 20 JBGD C[C@@](Cl)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3C(=O)CNC3=O)CCO2)C1 1832332717 VADAZTAGDKGHGN-IAGOWNOFSA-N 451.307 -0.769 50 20 JBGD O=C(CCBr)N1CCOC[C@]2(C1)CN(C(=O)c1cc(=O)n3[nH]cnc3n1)CCO2 1835922520 AGKVHAXOJLUQEV-KRWDZBQOSA-N 469.296 -0.727 50 20 JBGD CC(=O)Nc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)cc1 1835930555 MWUARMLAJFVJHG-VWLOTQADSA-N 495.341 -0.363 50 20 JBGD O=C(C#CC1(O)CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835930619 PYMFFDWSAJBKIG-XMMPIXPASA-N 470.331 -0.865 50 20 JBGD O=C(CCc1ccc2c(c1)OCO2)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835935323 ATMJSCBTVWMYOX-VWLOTQADSA-N 496.325 -0.202 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)c1cn3ccsc3n1)CCO2 1837048222 MTCFWORWDAEQTR-NRFANRHFSA-N 470.316 -0.541 50 20 JBGD Cc1n[nH]c(C)c1C(=O)N1CCOC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837459692 WOPQMLXWQMJJGZ-NRFANRHFSA-N 457.491 -0.591 50 20 JBGD CC[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1839965081 MKCWVYLVDGLOML-BEFAXECRSA-N 484.351 -0.071 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4cccnc4nc3O)C2)C1 1840185709 VTTBUIFCACCJLW-QHCPKHFHSA-N 486.529 -0.222 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1CCCC12CN(C(=O)c1cnccc1C(=O)NN)C2 1843325577 MKDSACNPZDQSNN-HNNXBMFYSA-N 462.507 -0.612 50 20 JBGD CC(C)(C)OC(=O)N[C@H](CCO)C(=O)N1CC2(CCCN2C(=O)c2cnccc2C(=O)NN)C1 1844263505 LFZWRLMBXYQGGW-MRXNPFEDSA-N 476.534 -0.222 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CCCC12CN(C(=O)CN1C(=O)CNC1=O)C2 1844692030 YYPRTGTYHNMUGR-UHFFFAOYSA-N 459.415 -0.111 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)CCNC(=O)c3ccc[nH]3)CCO2)C1 1779028482 MFIVZUSOACXBBS-JOCHJYFZSA-N 469.502 -0.723 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccccc1C(=O)OCCO)CCO2 1779032172 DTSVAWUEJVSQHQ-XMMPIXPASA-N 497.508 -0.409 50 20 JBGD CS(=O)(=O)c1ccc(F)c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)c1 1799857714 JVJUHUNCJLFLOU-YVWYUNDQSA-N 490.318 -0.574 50 20 JBGD CNC(=S)NCCC(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807362297 VFIIRAGTZYHJCE-PXNSSMCTSA-N 469.376 -0.435 50 20 JBGD COc1cc(N2CCC(C(=O)N3CCOC[C@]4(C3)CN(C(=O)[C@H](O)CCl)CCO4)CC2)ncn1 1830720438 ZNZMFQHOABWVCJ-VGSWGCGISA-N 497.980 -0.242 50 20 JBGD COc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)c([N+](=O)[O-])cc1O 1830731816 MWXPYAYUGIOZII-HNAYVOBHSA-N 473.866 -0.021 50 20 JBGD CCC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(=O)n4[nH]cnc4n3)C2)C1 1831647248 SVMYRNLESOKNRC-BFUOFWGJSA-N 452.899 -0.105 50 20 JBGD Cn1cc(CCC(=O)NC2CCN(C3CCN(C(=O)c4ccc(B(O)O)cc4)CC3)CC2)cn1 1834820156 XPRGKYTYUGKSMB-UHFFFAOYSA-N 467.379 -0.082 50 20 JBGD C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1839176494 RVQYMNUTMFTCRR-NRFANRHFSA-N 454.524 -0.675 50 20 JBGD O=C(c1n[nH]c2c1CS(=O)(=O)C2)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839199778 ULPFGMKAOVEDCZ-CZUORRHYSA-N 495.327 -0.401 50 20 JBGD O=C(O)c1cnncc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839200428 KNRVBMZZZDXBPQ-MLGOLLRUSA-N 461.244 -0.065 50 20 JBGD Cc1cc(C(=O)NCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](F)Br)CCO3)no1 1839200836 QNLWKSBGVNEGAS-WMLDXEAASA-N 477.287 -0.140 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)c1nc3ccccc3o1)CCO2 1839500900 GBWZICHZBDPQKP-QHCPKHFHSA-N 465.271 -0.109 50 20 JBGD CCN(CC)C[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1839679990 VABOJZCSTJYQNT-XMSQKQJNSA-N 455.600 -0.206 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1840184804 AYJKDJGXCYZHKL-PIUNUONSSA-N 452.556 -0.713 50 20 JBGD Cc1ncc(/C=C/C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)s1 1840518616 QCTPOWHMLQZWAK-XYXUZSOXSA-N 471.344 -0.085 50 20 JBGD CC(C)(C)OC(=O)N1CCO[C@H](C(=O)N2CCCC23CN(C(=O)c2ccc(B(O)O)cc2)C3)C1 1841427886 UZHNKKSCNPHSHH-SFHVURJKSA-N 473.335 -0.181 50 20 JBGD CCOC(=O)N[C@H](O)C(=O)N1CC2(CCCN2C(=O)CN(C)NC(=O)NCc2ccccc2)C1 1845038934 KDELUELTKSBEPI-GOSISDBHSA-N 476.534 -0.400 50 20 JBGD COc1cc(C(=O)NCC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cc(OC)c1OC 913156154 XEULHDJNMJVTEF-UHFFFAOYSA-N 455.431 -0.121 50 20 JBGD CSCC[C@H](C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O 920744146 ASZYYRFPWYAPLP-AAVRWANBSA-N 460.578 -0.199 50 20 JBGD O=C(CN1CCS(=O)(=O)CC1)N1CCO[C@]2(CCN(C(=O)[C@@H](F)Br)C2)C1 1781326730 RWVWVALAUZLARY-UKRRQHHQSA-N 456.334 -0.763 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C)CCO2 1783936159 DUPRYUAYEDQXQN-DGGJZMOXSA-N 497.593 -0.440 50 20 JBGD CC(C)n1nc(C(=O)N2CCO[C@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)cc1C(=O)O 1783936947 YSUYHGVLXXZNEU-NRFANRHFSA-N 464.523 -0.021 50 20 JBGD O=C(/C=C/C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)NCc1ccccc1 1784054763 DCHCUCHGUHATPO-MEXNOBTMSA-N 491.353 -0.168 50 20 JBGD CC(C)(C)OC(=O)NC1(C(=O)N2CC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)CC1 1785711128 DRKKLJPZKXOSCT-QFIPXVFZSA-N 473.335 -0.133 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccnc4c3OCO4)[C@H]2C1 1789182144 MXCILTWVJVKLRV-ZLIFDBKOSA-N 468.470 -0.284 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1cc(-n2ccnc2)ccn1 1789371875 GUURKJPIDPZGEE-XJABCFGWSA-N 475.314 -0.146 50 20 JBGD CC(C)(C)OC(=O)N1C[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](O)CCl)[C@@H](O)C1 1792978477 DDKGJDIVBJTYOF-AYCBFJCHSA-N 461.943 -0.597 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc2ccccn2n1 1796101275 NPRMKHIQVOHTIP-FVCICTRLSA-N 450.459 -0.755 50 20 JBGD CN(CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(N)=O)NC(=O)NCc1ccccc1 1800517398 RSPZVKPSJAMPFA-UPHUGPLXSA-N 460.535 -0.812 50 20 JBGD CN(CC(=O)NC[C@@H]1CCN(C(=O)C(O)O)[C@H]1c1cccnc1)NC(=O)NCc1ccccc1 1807455133 XDOJHUXVPJKGSA-ICSRJNTNSA-N 470.530 -0.256 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@H]1CCN(C(=O)COc2ccc(O)nn2)[C@H]1c1cccnc1 1810304889 GZNODVPPYPETBC-VFNWGFHPSA-N 492.496 -0.026 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CN1C(=O)CNC1=O)CC2 1817276174 NVWJLIDGFJTBEZ-YBGGJHSQSA-N 486.514 -0.259 50 20 JBGD CN(C)NC(=O)CCC(=O)N[C@@H]1CCc2nc(NC(=O)[C@@H](O)N3CCOCC3)sc2C1 1819892934 KCDIQXKQMGOYIF-KZULUSFZSA-N 454.553 -0.921 50 20 JBGD CN(C)NC(=O)CCC(=O)N[C@H]1CCc2nc(NC(=O)[C@H](O)N3CCOCC3)sc2C1 1819892937 KCDIQXKQMGOYIF-SGTLLEGYSA-N 454.553 -0.921 50 20 JBGD O=C(NCC(=O)N1CCC(N2CCC(NC(=O)[C@@H](O)CCl)CC2)CC1)c1cccnc1 1833307982 GAJGBBCIQLGJCP-SFHVURJKSA-N 451.955 -0.017 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCC(N2CCC(NC(=O)Cc3cncnc3)CC2)CC1 1833861186 XLSHSGHGZGOWNE-UHFFFAOYSA-N 466.546 -0.097 50 20 JBGD CCC(=O)N[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834797744 AWXUPHNYFHATGN-MRXNPFEDSA-N 458.368 -0.534 50 20 JBGD Cc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)ncc1[N+](=O)[O-] 1835928740 XLCWBCSHKRSFEG-JOCHJYFZSA-N 484.274 -0.638 50 20 JBGD O=C(C1=NO[C@@H](c2ccccc2)C1)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1836588303 WPXOWBSVBZWFKA-RCZVLFRGSA-N 493.325 -0.046 50 20 JBGD CCN(CC)C[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837459684 MHTLQKWHBARDDR-SBUREZEXSA-N 476.578 -0.267 50 20 JBGD Cc1cnn([C@H](C)C(=O)N2CCOC[C@@]3(CN(C(=O)c4cnccc4C(=O)NN)CCO3)C2)c1 1837461408 VOCUUTSHLSEKMI-ZHRRBRCNSA-N 471.518 -0.479 50 20 JBGD C[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1)n1ccccc1=O 1837691136 HRAMSTYRWLFVLV-HTAPYJJXSA-N 463.535 -0.761 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCC(OC2CCN(C(=O)CC[C@@H](N)C(N)=O)CC2)CC1 1837880545 AGRMSWOWJWRTOJ-UBXTYJAUSA-N 489.577 -0.288 50 20 JBGD C[C@H](NC(=O)c1cnccn1)C(=O)N1CCOC[C@]2(CN(C(=O)C(Cl)Cl)CCO2)C1 1840188419 INCQFOQZSQHEHB-KPZWWZAWSA-N 460.318 -0.145 50 20 JBGD C[C@H](CBr)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 1847493716 CLZBDZJRKCXJIV-AGIUHOORSA-N 481.351 -0.334 50 20 JBGD CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)NNC(=O)c1cc(Br)c[nH]1 807148908 OBPAPKBJTICMQT-JTQLQIEISA-N 450.315 -0.243 50 20 JBGD CCc1nc2ccccc2n1CC(=O)NNC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 915775586 HYBJLVHOEQTMKZ-ZDUSSCGKSA-N 460.516 -0.088 50 20 JBGD Cc1ccn2c(=O)c(C(=O)N3CCO[C@]4(CCN(C(=O)c5cnccc5C(=O)NN)C4)C3)cnc2c1 1779032355 NZQLWMSFOPQFHL-DEOSSOPVSA-N 491.508 -0.241 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)c3cc4n(n3)CCCO4)CCO2)C1 1779032733 XDNIJTCCXUWWBJ-OAQYLSRUSA-N 455.475 -0.579 50 20 JBGD C[C@H](CBr)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN(CCO)CCO)C[C@@H]21 1783974090 GTOXSUSDRIHVFW-UGUYLWEFSA-N 450.374 -0.716 50 20 JBGD CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H](F)Br)CCO2)C1 1784373562 PTZYJRZSAQJCFU-CPUCHLNUSA-N 460.304 -0.023 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCN3CCOC3=O)C[C@@H]21 1788611056 IKLZOYCSRCUPQE-JQFCIGGWSA-N 460.491 -0.879 50 20 JBGD O=C(Cc1ccc2ncnn2c1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1789717381 QNKKKFBUFDUDFX-IHPCNDPISA-N 463.303 -0.755 50 20 JBGD COc1ccc(OCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)cc1 1792725641 QUELQMYEOGQNFS-FAQVEIGNSA-N 454.288 -0.343 50 20 JBGD COc1cccc(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)n1 1794014816 OBDBBVAHQHRUOO-USGNIVHTSA-N 468.514 -0.075 50 20 JBGD C[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797748508 FTVAOSVPYWQOKH-ZJOBFFGXSA-N 476.534 -0.199 50 20 JBGD Cc1c(Br)c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)nn1C 1798715195 OEWVQTWVJGIWRR-XOIINTDNSA-N 491.151 -0.312 50 20 JBGD COc1cc(OC)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)c1 1798896725 XKXMBSWOFNMSLG-UPHUGPLXSA-N 454.288 -0.099 50 20 JBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COCCNC(=O)OC(C)(C)C)C2 1801012595 RHTCXFBPSIHQGY-CWPLJXCYSA-N 485.582 -0.510 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@H](O)N1CCOCC1)CC2 1817281228 BHEFIPPQFLFFSK-FAHUAXNMSA-N 489.558 -0.160 50 20 JBGD CN(C)NC(=O)CCC(=O)N[C@H]1CCc2nc(NC(=O)c3nccnc3C(N)=O)sc2C1 1821042439 HPLRTKRSJBWADC-JTQLQIEISA-N 460.520 -0.369 50 20 JBGD CN(C)NC(=O)CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](O)N2CCOCC2)[nH]n1 1822415354 YUEHFEMMAGUGCK-HNAYVOBHSA-N 451.528 -0.575 50 20 JBGD O=C(CN1CCS(=O)(=O)CC1)N1CCC([C@H]2CCCCN2C(=O)[C@H](O)CCl)CC1 1824178555 IUBDKVUAFJRIQY-IAGOWNOFSA-N 450.001 -0.064 50 20 JBGD Cc1noc(C)c1CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1833064149 QQSUWRSXSHAKOB-QHCPKHFHSA-N 471.319 -0.326 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ncccn3)CCO2)C1 1833165223 LCYRQGACLCBZEC-SYOQMXFQSA-N 469.502 -0.391 50 20 JBGD C=CC(=O)N[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3cnccc3C(=O)NN)CC2)CC1 1835830838 QZSCIPPENGZRIZ-OAHLLOKOSA-N 471.562 -0.439 50 20 JBGD Cc1ccc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)nc1 1835927492 PYLAVGBYYOIGJR-XMMPIXPASA-N 467.331 -0.227 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)c3cn4ccccc4n3)C2)C1 1835937431 WECUTYVMGIBMMC-HSZRJFAPSA-N 464.287 -0.602 50 20 JBGD O=C(CCCn1cccc1)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835940117 UTZUCOOTPZMHIE-QHCPKHFHSA-N 455.320 -0.282 50 20 JBGD N#Cc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)cc1 1837455628 ARGHAENZZCNNPP-XMMPIXPASA-N 478.509 -0.131 50 20 JBGD CC[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1)N(CC)CC 1837455723 FMDAHSCPWDOYKX-WMZHIEFXSA-N 476.578 -0.125 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@H]3CCCCO3)C2)C1 1837456211 KULSRDWVIBQYLY-OPAMFIHVSA-N 461.519 -0.286 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4nonc4c3)C2)C1 1837459178 LIDDNOLMSAZRGN-JOCHJYFZSA-N 481.469 -0.395 50 20 JBGD C[C@H](Oc1cccnc1)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840185985 VJYRQSKFRMRCQO-HTAPYJJXSA-N 463.535 -0.322 50 20 JBGD O=C(NNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)C(=O)N1CCCC1 748246369 JHBXMPMQVUYBAI-UHFFFAOYSA-N 466.516 -0.372 50 20 JBGD O=C(CNC(=O)c1ccco1)NNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F 751212473 RXSZILRYWRJOPE-UHFFFAOYSA-N 454.436 -0.369 50 20 JBGD Cc1onc(-c2ccncn2)c1C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1780048315 QIHYJZAHMJMFHO-QHCPKHFHSA-N 477.286 -0.123 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCn2ccnn2)C1 1782564188 QVJHNONQBRFYSE-DYESRHJHSA-N 456.507 -0.506 50 20 JBGD Cc1c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cnccc4C(=O)NN)[C@H]3C2)cn2[nH]cnc(=O)c12 1788609984 JJRMIHLJUBTAHQ-KKXDTOCCSA-N 494.512 -0.763 50 20 JBGD CS(=O)(=O)c1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)cc1 1795415092 DSUATNGJTNBSPK-OPMZPASUSA-N 486.355 -0.784 50 20 JBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1COc3ccccc3O1)C2 1797748633 NVNBRXYJGDWLEU-ILWKUFEGSA-N 467.482 -0.272 50 20 JBGD COC[C@@H](NC(C)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](CCl)NC(=O)OC(C)(C)C)C2 1797964106 NKWIYDPENRGBFS-NNXHMXCWSA-N 490.985 -0.141 50 20 JBGD CC(=O)OC[C@H](OC(C)=O)C(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1810335294 DTEGSNMSMOIBFK-BAGYTPMASA-N 497.313 -0.424 50 20 JBGD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1cc3n(n1)CCNC3=O)CC2)c1ccc(B(O)O)cc1 1815339908 TZEXZSUYXUDXHY-ZDUSSCGKSA-N 480.315 -0.698 50 20 JBGD Cc1cc(C(=O)NCC(=O)N[C@@H]2CCc3nc(NC(=O)c4cccc(B(O)O)c4)sc3C2)no1 1815356352 DDZLHUQUUADMKW-CQSZACIVSA-N 483.315 -0.225 50 20 JBGD O=C(CCN1CCOC1=O)Nc1nc2c(s1)C[C@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1818691016 ABQJWNNEAXFAAX-CQSZACIVSA-N 458.305 -0.109 50 20 JBGD NNC(=O)c1ccncc1C(=O)N[C@H]1CCc2nc(NC(=O)COc3ccc(O)nn3)sc2C1 1824561371 IUHRPGANYLBHOZ-JTQLQIEISA-N 484.498 -0.058 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)CCN3CCOC3=O)CC2)CC1)c1cccc(B(O)O)c1 1834799941 GXBVIMHTVDOSSD-UHFFFAOYSA-N 472.351 -0.606 50 20 JBGD O=C(O)c1cnncc1C(=O)NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1835920125 HDRGSUHUXRDPNZ-UHFFFAOYSA-N 481.318 -0.646 50 20 JBGD CCc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)cn1 1835929525 TZQNQDRPYCACRX-QHCPKHFHSA-N 453.304 -0.292 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCC(F)(F)C3)C2)C1 1835934575 ZOMDSYGEKLJIGE-UZLBHIALSA-N 452.263 -0.128 50 20 JBGD Cc1noc(C)c1CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835935198 GRQOYFMYYGKYNT-QHCPKHFHSA-N 471.319 -0.326 50 20 JBGD C[C@@H](Nc1nccs1)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835936964 MBIOTNOWWBPSFP-VFNWGFHPSA-N 474.348 -0.607 50 20 JBGD Cc1nn(C)c(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cnccc4C(=O)NN)CCO3)C2)c1F 1837457076 UTBWJLBCVSGIFP-OAQYLSRUSA-N 475.481 -0.750 50 20 JBGD Cn1ncc(C(=O)N2CCOC[C@]3(CN(C(=O)c4cnccc4C(=O)NN)CCO3)C2)c1Cl 1837459462 QIJVRLAZPUCJKM-HXUWFJFHSA-N 477.909 -0.544 50 20 JBGD O=C(CS[C@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1837506470 PDKOXIDLWXKIIF-UNMCSNQZSA-N 478.376 -0.304 50 20 JBGD COC[C@H](NC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@](C)(Cl)CCl)C2)C1 1837733521 AYUOAFKDCDKWOH-JCGIZDLHSA-N 454.351 -0.170 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccnn1)CCO2 1837871534 CQSGKYLRAANZJV-MNQDVBFDSA-N 455.475 -0.319 50 20 JBGD C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1)c1ccccn1 1840501511 KEQQTLOKVJLNQN-GAJHUEQPSA-N 453.304 -0.365 50 20 JBGD O=C(NCCC(=O)N1CCN(c2ncccn2)CC1)NNC(=O)c1ccc2c(c1)OCCO2 726710570 GSSKJGXPUXFCED-UHFFFAOYSA-N 455.475 -0.069 50 20 JBGD CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)NNC(=O)C(=O)N1CCCC1 748247480 PXFOOQQSHRXRJQ-KRWDZBQOSA-N 468.532 -0.079 50 20 JBGD CCn1nc(C(=O)NNC(=O)c2cc3c(=O)n(C)c(=O)n(C)c3n2C)c2ccccc2c1=O 919691922 FIYNZVQUJXNHHK-UHFFFAOYSA-N 451.443 -0.620 50 20 JBGD C[C@H](NC=O)C(=O)N1CCO[C@@]2(CCN(C(=O)CN(C)NC(=O)NCc3ccccc3)C2)C1 1780968160 GIJKCLNRFBNGDI-HTAPYJJXSA-N 460.535 -0.703 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cnnn3)[C@H]2C1 1787092690 NAJKCBAHJZGUEJ-OWQGQXMQSA-N 473.446 -0.200 50 20 JBGD C[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN(C)NC(=O)NCc3ccccc3)[C@H]2C1)n1cnnn1 1789726568 AFAQIUOWHVWBRQ-LEAZDLGRSA-N 499.576 -0.440 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3C(=O)CSC3=S)[C@H]2C1 1792241824 IMFAASZHUYODBA-IHRRRGAJSA-N 471.605 -0.801 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc3snnc3c1)C2)c1ccc(B(O)O)cc1 1795735010 IANXONJLDFVPMP-XOIINTDNSA-N 453.289 -0.717 50 20 JBGD Cc1nn2cc(CC(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)c3cccc(B(O)O)c3)nc2s1 1795737855 ZYEWMUPHMFCZIZ-CCWDJLKJSA-N 469.332 -0.775 50 20 JBGD CS(=O)(=O)Cc1ncccc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1 1796188342 RZLRGRJQKWUHLG-BCDXTJNWSA-N 471.344 -0.128 50 20 JBGD Cc1cc(C)n(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)n1 1797754491 ZGQMSOUGTNQFCD-CWPLJXCYSA-N 455.519 -0.208 50 20 JBGD O=C(NC[C@H]1CCN(C(=O)c2cccc(=O)n2O)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807369290 FCBQMFDNMROQAM-DYESRHJHSA-N 462.271 -0.206 50 20 JBGD COc1ncc(Cl)cc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1829584174 JWAMKZTVUDBBSS-JOCHJYFZSA-N 489.721 -0.193 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCC(F)(F)C1)CCO2 1829650320 ORESNKNWHBOXMK-OXJNMPFZSA-N 452.263 -0.128 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cnccn3)CCO2)C1 1830963559 RPXMCMYTUBAWOW-XDEFOSFOSA-N 469.502 -0.391 50 20 JBGD Cc1nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)ccc1F 1833461833 AMKMMBHNOPPSSH-JOCHJYFZSA-N 472.477 -0.089 50 20 JBGD O=C1CN(CC(=O)NC2CCN(C3CCN(C(=O)[C@@H](F)Br)CC3)CC2)C(=O)N1 1833711985 SBFQGFOQPCLEBZ-OAHLLOKOSA-N 462.320 -0.200 50 20 JBGD O=C1CN(CC(=O)N2CCC(N3CCC(NC(=O)CCBr)CC3)CC2)C(=O)N1 1834422495 PVENQIZDJNSYOF-UHFFFAOYSA-N 458.357 -0.105 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(-n3cnnc3)cc1)CCO2 1835498986 QBNHRWOOVDXOJG-HSZRJFAPSA-N 485.545 -0.290 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCC(N2CCC(NC(=O)C(=O)Nc3cccnc3)CC2)CC1 1835803309 HRWSHJGSZRTSCD-UHFFFAOYSA-N 494.556 -0.096 50 20 JBGD COc1cccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)c1 1835929310 KKVPMNJKONZZJU-XMMPIXPASA-N 468.315 -0.312 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)c3cc4cn[nH]c4cn3)C2)C1 1835937946 CAJLBPNEUUNXOU-JOCHJYFZSA-N 465.275 -0.979 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)c1n[nH]c3ccccc13)CCO2 1836939558 KYBDILAMISTFDF-QHCPKHFHSA-N 464.287 -0.374 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3COc4ccccc4O3)C2)C1 1837455646 BQMYUTCJEHQKNJ-HYBUGGRVSA-N 497.508 -0.405 50 20 JBGD Cn1cc(F)cc1C(=O)N1CCOC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837457492 FHZZESRNQPYXCW-NRFANRHFSA-N 460.466 -0.454 50 20 JBGD COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)c1 1837460084 TWHVIPPPROLKGH-XMMPIXPASA-N 494.508 -0.051 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCCSC3)C2)C1 1837461321 UMASWMOJXKQBGM-VFNWGFHPSA-N 463.560 -0.102 50 20 JBGD O=C1C[C@H](C(=O)N2CCC(OC3CCN(C(=O)c4ccc(B(O)O)cc4)CC3)CC2)CCN1 1837921058 WPFIFJPEIRGFQN-QGZVFWFLSA-N 457.336 -0.495 50 20 JBGD C[C@H](Cc1ccncc1)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1839657943 NLVHGKYMZJVUBJ-HOYKHHGWSA-N 467.331 -0.290 50 20 JBGD O=C(CCc1cnc2[nH]ccc2c1)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1840080424 JRTWSXXZOMIEMP-RUZDIDTESA-N 492.341 -0.055 50 20 JBGD COC(=O)[C@@H]1CC[C@@H](C(=O)N2CCOC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)C1 1840182277 CVZNKDVGJMYMQE-YVHKJVDXSA-N 468.551 -0.595 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCCSC1)CCO2 1840864629 MYACAXMVWNIBRX-VFNWGFHPSA-N 463.560 -0.102 50 20 JBGD CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)N1CCCC12CN(C(=O)c1cnccc1C(=O)NN)C2 1846217217 CVXKECLPZPKYEC-PBHICJAKSA-N 488.545 -0.128 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C[C@H]1NC(=O)NC1=O 1848129525 IRIHZGMDCNDKEP-ILXRZTDVSA-N 459.415 -0.066 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(O)nc(O)n2)C1 1778017307 GJXMRXGBCASYLO-QVKFZJNVSA-N 471.474 -0.672 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1COc3ccccc3O1)CCO2 1779029181 UQVKEYKUJXMGAP-CVDCTZTESA-N 467.482 -0.031 50 20 JBGD CN(CC(=O)N1CC[C@@]2(CN(C(=O)CCn3cncn3)CCO2)C1)NC(=O)NCc1ccccc1 1780969489 NIRYESZPHJKQFF-QHCPKHFHSA-N 484.561 -0.156 50 20 JBGD O=C(Cn1cccc([N+](=O)[O-])c1=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1 1796190320 OCRFBUVRZBRBJI-BJWYYQGGSA-N 454.248 -0.612 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2ncnn2c1 1797560360 ZNGPHTVTMUCHJG-ZSBFGKGUSA-N 450.459 -0.755 50 20 JBGD C[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)[S@](=O)c1ccccc1 1800213278 UXAHZLCSMUWNIF-FGOLEYRISA-N 470.356 -0.234 50 20 JBGD C=CC(=O)N[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807363183 YSJUNPBKZFYQJX-YWMUFLPLSA-N 450.304 -0.228 50 20 JBGD CC(=O)NC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807363387 DNFZXTLSEZTPOA-ICSRJNTNSA-N 452.320 -0.004 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCC2(CCCN(C(=O)c3ccc(B(O)O)cc3)C2)CC1 1809971028 KLFNPFMTMJNYKY-UHFFFAOYSA-N 465.319 -0.477 50 20 JBGD CN(C)C(=O)NCC(=O)N1CC[C@H](CNC(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1810294660 LXGZAKVMKPPFIE-BEFAXECRSA-N 468.518 -0.329 50 20 JBGD C[C@@H](CS(C)(=O)=O)C(=O)N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815350392 UPFCPEOHBXWNLI-FZMZJTMJSA-N 465.362 -0.271 50 20 JBGD O=C(Nc1cc([C@H]2CCCCN2C(=O)[C@H]2CCCS2(=O)=O)[nH]n1)c1cccc(B(O)O)c1 1817476904 GSJGDXNTPBSZKF-IAGOWNOFSA-N 460.321 -0.027 50 20 JBGD CCS(=O)(=O)N[C@@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cnccc3C(=O)NN)sc2C1 1819792950 FFAFIIXXXUBLHU-WDEREUQCSA-N 495.587 -0.305 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1CC(F)(F)C1)CCO2 1829989135 NEOJTVMGOXFHSY-LJQANCHMSA-N 453.446 -0.200 50 20 JBGD COc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)cc1F 1830144089 KCRJXYBSSHVOMH-HSZRJFAPSA-N 472.278 -0.102 50 20 JBGD CCS(=O)(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)CBr)C2)C1 1831318219 OEBISAQNYFPSEM-VBQJREDUSA-N 484.413 -0.198 50 20 JBGD CCc1[nH]nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)c1F 1833735779 MOQZUBSBQXIMIR-OAQYLSRUSA-N 460.271 -0.825 50 20 JBGD CN(CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ncccn1)CCO2)NC(=O)NCc1ccccc1 1834296220 WZRKTRAQXJAQTD-XMMPIXPASA-N 497.556 -0.107 50 20 JBGD Cc1ccc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)nc1 1835927491 PYLAVGBYYOIGJR-DEOSSOPVSA-N 467.331 -0.227 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCC(N2CCC(NC(=O)CCC(N)=O)CC2)CC1 1836531615 IXRVJNCFCKYFLR-CVKSISIWSA-N 459.551 -0.043 50 20 JBGD CN(CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccn(C)n3)C2)C1)NC(=O)NCc1ccccc1 1839054194 KYJNNRDGZRQNQJ-DEOSSOPVSA-N 499.572 -0.164 50 20 JBGD C[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)COc3ccc(O)nn3)CCO2)C1 1839670761 ZVGBDIGEYMXNSN-SJCJKPOMSA-N 459.297 -0.199 50 20 JBGD CCOC(=O)O[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1839683796 MMWMNCCXJGWLTA-LHSJRXKWSA-N 479.490 -0.683 50 20 JBGD COCc1c[nH]c(C(=O)N2CCOC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)c1 1840186002 YDUXIHHDAVOXDN-NRFANRHFSA-N 451.524 -0.396 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC2(CCCN2C(=O)[C@H](C)NC(=O)c2cnccn2)C1 1844332499 UHUJCRCDKMXCOG-TXLFSUKISA-N 466.502 -0.068 50 20 JBGD CCOC(=O)c1cc(C(=O)N2CC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)ccn1 1780319839 RJMPSSGYZVHLAX-QHCPKHFHSA-N 467.287 -0.305 50 20 JBGD CCOc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)nn1 1786981109 SPPQVFILJOJXOD-IEZWGBDMSA-N 454.292 -0.538 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nn[nH]c3C(F)(F)F)C[C@@H]21 1788609991 KETGPOHOOXIRSI-XDTLVQLUSA-N 482.423 -0.271 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc(OCF)cn3)C[C@@H]21 1791288851 YBKRWTWEYSYKNY-DZKIICNBSA-N 452.487 -0.251 50 20 JBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccccc1C(N)=O)C2 1797753183 WOGSQZBSHIUIJW-IVWMJMPLSA-N 452.471 -0.699 50 20 JBGD CN(CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](N)CCC(N)=O)C2)NC(=O)NCc1ccccc1 1799864722 LFTDKKYRBAXXRY-RDGPPVDQSA-N 473.578 -0.436 50 20 JBGD CCOC(=O)N1CCC(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)CC1 1801014513 WAZSXADHJNPZBY-XEMDLRDOSA-N 467.567 -0.183 50 20 JBGD NC(=O)c1nccnc1C(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807361398 PPFUUNNXOCUXFS-OXJNMPFZSA-N 474.286 -0.716 50 20 JBGD C[C@H](C(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1)N1CCN(C)CC1 1807372554 GAYLLUSJYSIJJY-RZFNWQHOSA-N 479.390 -0.283 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)CCS(C)(=O)=O)[C@@H]1c1cccnc1 1813577442 UFIDVQUUGOFCSZ-JXFKEZNVSA-N 453.565 -0.105 50 20 JBGD O=C(CN1C(=O)CSC1=S)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1814186757 WUDKDELEFZGZSH-UZLBHIALSA-N 498.395 -0.059 50 20 JBGD COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)cc1O 1830247396 GSLVPKQNUXXISQ-HSZRJFAPSA-N 478.546 -0.227 50 20 JBGD Cc1nn(C)c(C)c1C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1831817946 BUCAOSQRHVJHOK-OAQYLSRUSA-N 450.540 -0.520 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cncn1C)CCO2 1834323898 LXFPXMKFOJKLAO-MNQDVBFDSA-N 457.491 -0.376 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCC(N2CCC(NC(=O)CNC(=O)c3ccco3)CC2)CC1 1834869118 ABCZSQWKRGRJCI-UHFFFAOYSA-N 476.578 -0.046 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3Cc4ccccc4O3)C2)C1 1835937076 NSVJJMIDPSWEPB-URXFXBBRSA-N 466.299 -0.560 50 20 JBGD C[C@H](Nc1ccccn1)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835938225 RDOFLDKVRMCVEO-GAJHUEQPSA-N 468.319 -0.668 50 20 JBGD O=C(c1ccc([N+](=O)[O-])c2c1OCO2)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1838626137 IYSULNOQHAMZMT-KUHUBIRLSA-N 471.850 -0.007 50 20 JBGD CC[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](COC)NC(C)=O)C2)C1 1839964794 CRNHNPGFLASAPJ-HDMKZQKVSA-N 464.357 -0.233 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCNC(=O)C1)CCO2 1840230057 XPNVCGLAMBPJLS-LWNDFVOUSA-N 474.518 -0.897 50 20 JBGD COC(=O)c1cc(Br)ccc1S(=O)(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 14870877 RMQLTNOIHZSLKX-QMMMGPOBSA-N 455.308 -0.020 50 20 JBGD C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)NNC(=O)N[C@H]3CCS(=O)(=O)C3)c2)C[C@@H](C)O1 919886580 VEUSPQFIKFWXKM-GUTXKFCHSA-N 474.561 -0.384 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cn4[nH]cnc(=O)c4c3C)C2)C1 1780021447 DBPHEMFCWMGSBS-QNBNLKTOSA-N 494.512 -0.091 50 20 JBGD COc1ccc([N+](=O)[O-])c(C(=O)N2CCO[C@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)n1 1783934852 NANZACNVJQHLIJ-FQEVSTJZSA-N 464.479 -0.185 50 20 JBGD N[C@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1)c1cccnc1 1786984348 HQTDSIOQPLCAGB-WJMWBRGCSA-N 452.320 -0.555 50 20 JBGD COC(=O)c1ccc(OCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)cc1 1786986944 YUBFVPIQVCAEKL-NYVOZVTQSA-N 496.325 -0.175 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CC[C@@H]4CCC(=O)N4C3)[C@H]2C1 1789769518 NWNUAWXKSPEHGA-HGDKKCICSA-N 484.557 -0.321 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(=O)C(F)(F)F)[C@H]2C1 1791313131 SWENUKDFXUYVIC-AVGNSLFASA-N 451.446 -0.982 50 20 JBGD CC(C)(C)OC(=O)N1CCn2nnc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)[C@H](O)CCl)c2C1 1792981330 JLFIQMQRDHNUHY-OCVGTWLNSA-N 498.968 -0.168 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1ccc3sccc3c1=O)C2)c1ccc(B(O)O)cc1 1795732708 BWVOYQZSBQHYDX-VPTLXERWSA-N 481.339 -0.354 50 20 JBGD O=C(NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807375941 WMYSFFRQNRKVKR-OXJNMPFZSA-N 498.395 -0.059 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@@H](CNC(=O)CN(C)C(=O)C(=O)O)[C@@H]1c1cccnc1 1812389754 LVUSWYAARTXOKX-YRJCQSRDSA-N 497.512 -0.236 50 20 JBGD NNC(=O)c1ccncc1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@H]1CCC(=O)NC1)CC2 1819790060 DQYQSUPFMMQKCI-WDEREUQCSA-N 457.516 -0.106 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CN(CCO)CCO)CC1 1828923891 DLZRUMOBQLTWEJ-HXUWFJFHSA-N 476.578 -0.795 50 20 JBGD O=C(Cn1cnnn1)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@H](O)CCl)C2)C1 1829013715 AEPQYCUVBYYLRH-DYESRHJHSA-N 491.936 -0.275 50 20 JBGD O=C1Nc2c(cccc2C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)C1=O 1830730661 COQQOCOCLJQSHD-VBKZILBWSA-N 451.863 -0.509 50 20 JBGD C[C@H](CS(C)(=O)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1831465354 ZLQAXQXFFCXSDM-JMSVASOKSA-N 459.334 -0.186 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCC(N2CCC(NC(=O)c3cncnc3)CC2)CC1 1834236782 KSTVGZYZSLSYRD-UHFFFAOYSA-N 452.519 -0.026 50 20 JBGD COc1ccc(C(=O)N2CCC(N3CCC(NC(=O)c4ccc(B(O)O)cc4)CC3)CC2)nn1 1834798464 YVNBCRWOKRATGF-UHFFFAOYSA-N 467.335 -0.336 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)[C@H]3CC[C@@H]4CCC(=O)N4C3)CC2)CC1)c1cccc(B(O)O)c1 1834801339 YVCBBHSQHZCJJE-WMZHIEFXSA-N 496.417 -0.047 50 20 JBGD COc1nccc(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)c1F 1835928414 OHFDGEDMDAEFBD-QFIPXVFZSA-N 473.266 -0.707 50 20 JBGD O=C(c1cc2cccnn2c1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835932329 ZOWRERZIGBXFBL-QHCPKHFHSA-N 464.287 -0.602 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)c3cnc4ccc(F)cn34)C2)C1 1835939642 WQUHYMKUUFCMPD-QHCPKHFHSA-N 482.277 -0.463 50 20 JBGD CC(=O)N[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1)C(C)(C)C 1837456981 UQLRRFKOVPJJCQ-MBSDFSHPSA-N 490.561 -0.694 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccn4cncc34)C2)C1 1837459979 XNRNQULDOJBSQT-HSZRJFAPSA-N 479.497 -0.283 50 20 JBGD COc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)ccc1O 1837460059 REPFWJAFALRBSN-HSZRJFAPSA-N 485.497 -0.217 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(CN(C(=O)C(=O)Nc3cccnc3)CCO2)C1 1837629224 CVNSTNPFKZJIOT-PVPASAESSA-N 497.512 -0.390 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCC(OC2CCN(C(=O)[C@H]3CCC(=O)N3)CC2)CC1 1837782017 VSDPZVANRONMKU-GOSISDBHSA-N 458.519 -0.424 50 20 JBGD NC[C@H](N)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](Br)Cc1ccccc1)CCO2 1839801833 FQFMXTXVMPCNFO-FUHIMQAGSA-N 469.380 -0.265 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccn(C(F)F)n3)C2)C1 1840185573 PJJVCBAGUSEGGY-IBGZPJMESA-N 458.466 -0.279 50 20 JBGD COc1cc(F)ccc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1840640285 OXGRZVSQHIICPB-HSZRJFAPSA-N 472.278 -0.102 50 20 JBGD O=C(NNC(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1)c1cccc(S(=O)(=O)N2CCOCC2)c1 915260423 KLWPRMZTNSPGFL-QGZVFWFLSA-N 487.538 -0.088 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnc(O)nc2O)C1 1778006456 AQBVJBIGDRRKQZ-QVKFZJNVSA-N 471.474 -0.672 50 20 JBGD COc1cccc(CC(=O)N2CCO[C@@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)n1 1779029438 XGABFOSLCHCRBP-QFIPXVFZSA-N 454.487 -0.225 50 20 JBGD COC(=O)[C@@H]1CC=CC[C@H]1C(=O)N1CC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1783851367 OYPBXTFANPKMJS-QZMQVMSPSA-N 471.514 -0.116 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)[C@]3(O)CCN(C(=O)OC(C)(C)C)C3)C2)C1 1784011495 OWBBBOSITKPHJG-PKTZIBPZSA-N 497.593 -0.439 50 20 JBGD O=C1Nc2c(cccc2C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)C1=O 1786984210 QOBLHYWKUZTFMG-JVPBZIDWSA-N 477.282 -0.592 50 20 JBGD COc1ncc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)cc1F 1786984486 MFFUVNHNIGBRMP-FNHZYXHNSA-N 457.267 -0.184 50 20 JBGD COCCn1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)n1 1787636394 ZJANIYPOTOYZFZ-QRFRQXIXSA-N 456.308 -0.884 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COCCNC(=O)OC(C)(C)C)[C@H]2C1 1789852794 DNYJQHAXUMKVKK-BZSNNMDCSA-N 499.609 -0.120 50 20 JBGD C[C@@H](O)[C@H](NC(=O)c1ccccc1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(B(O)O)c1)C2 1792877675 NCWOKCSMCKMCLD-JLMLEOCNSA-N 479.342 -0.202 50 20 JBGD C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN(C)NC(=O)NCc1ccccc1 1799094937 KWBFJQNGZUBWJN-KMQSCTNJSA-N 471.558 -0.040 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1cc(O)cc([N+](=O)[O-])c1 1799730536 RPVPYRMSGWBZAG-CCWDJLKJSA-N 455.232 -0.503 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1nc2ccc(F)cn2n1 1800132340 WFDNMUQAXGMDNN-ZSBFGKGUSA-N 453.239 -0.935 50 20 JBGD CN[C@H](CC(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1)C(=O)O 1807361619 BSWAKPGJYZAPLP-ILZDJORESA-N 454.292 -0.856 50 20 JBGD O=C(NC[C@@H]1CCN(C(=O)[C@@H]2CCCS2(=O)=O)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807365088 IPKDBPCBDPJSHA-IHPCNDPISA-N 471.344 -0.342 50 20 JBGD C=CCNC(=O)/C=C\C(=O)N[C@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815335658 JCQWADAORYAPCT-KVPUOBJLSA-N 454.317 -0.093 50 20 JBGD O=C(N[C@H]1CCc2nc(NC(=O)c3cnncc3C(=O)O)sc2C1)c1ccc(B(O)O)cc1 1820494033 ONSWCBCDLHJGOS-LBPRGKRZSA-N 467.272 -0.149 50 20 JBGD O=C([C@H](O)CCl)N1CCO[C@]2(COCCN(C(=O)[C@H]3ON=C(c4ccccc4)O3)C2)C1 1830731449 LQGNPSDIGAPCPB-CDHQVMDDSA-N 453.879 -0.223 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCc3ccccc3[C@@H]1O)CCO2 1830821297 DCKZEYAHLJTAKO-FXSPECFOSA-N 494.353 -0.268 50 20 JBGD CCCC(=O)N[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1835818410 GXFHDIFNABITJU-QGZVFWFLSA-N 472.395 -0.144 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCc4ccccc4[C@H]3O)C2)C1 1835926693 ZCCVAQANJOIDIM-JQYIIUTOSA-N 494.353 -0.268 50 20 JBGD COc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)cc(Cl)n1 1835931604 SMJHWZTZVXLNTB-QFIPXVFZSA-N 489.721 -0.193 50 20 JBGD C[C@](Cl)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835939029 BZIJXNVEUXQCOM-RBUKOAKNSA-N 459.135 -0.327 50 20 JBGD C[Si](C)(C)OCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(=O)n4[nH]cnc4n3)C2)C1 1837711755 PCXAPQDUQNDUFQ-IBGZPJMESA-N 464.555 -0.661 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(N)=O)C2)C1 1838528154 IOPGEOCLDXGZLM-FQEVSTJZSA-N 479.446 -0.742 50 20 JBGD COc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)cc1OC 1838931149 KXLAJEKPBSJPFB-DEOSSOPVSA-N 484.314 -0.233 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cn3c(F)cccc3n1)CCO2 1839556414 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COC[C@@H](NC(C)=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCC(=O)NN(C)C)C1 1782214704 MGYQYAWDRYBAFL-CBGDNZLLSA-N 455.556 -0.976 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCNC(=O)c3ccc[nH]3)[C@H]2C1 1785249478 XGNBYGLLDYUBNX-FNHZYXHNSA-N 483.529 -0.573 50 20 JBGD Cc1ccc(C(=O)NCC(=O)N2CC[C@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)cc1 1785559024 CVVMEJLTZWONAB-DEOSSOPVSA-N 465.315 -0.452 50 20 JBGD C=CC(=O)N[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C[C@@H]21 1788752650 FZBBPVGUOSIDLS-VRGSHQSHSA-N 458.519 -0.209 50 20 JBGD COc1cc(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)ccn1 1793900685 KZQWPRMSHNMLNR-OPMZPASUSA-N 453.304 -0.394 50 20 JBGD CS(=O)(=O)c1ccc(F)c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)c1 1795735883 HXTCJHAVDHTLJK-YVWYUNDQSA-N 490.318 -0.574 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@H]1NC(=O)NC1=O)C2 1798522741 SRKJOHGJPDDIPZ-ABXQLRGKSA-N 489.441 -0.679 50 20 JBGD N#C/C(=C\c1ccc(F)cc1F)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN(CCO)CCO)C2 1800334583 PCVMOLNJSSETJO-BDCURPAKSA-N 478.496 -0.252 50 20 JBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1ON=C(c3ccccc3)O1)C2 1801011740 ZXGREKNOKKXSOS-BXYJTDFISA-N 459.503 -0.316 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@H](CNC(=O)Cn2cnnn2)[C@H]1c1cccnc1 1807611077 JOJAXXNPRHAJGB-KBXCAEBGSA-N 450.463 -0.914 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)c2cc3n(n2)CCNC3=O)[C@@H]1c1cccnc1 1813070370 GSSXASKZCHROOB-IIBYNOLFSA-N 482.545 -0.286 50 20 JBGD C[C@@H](O)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1829325157 DPIOZPMBBWOAOE-IQGLISFBSA-N 495.341 -0.187 50 20 JBGD C[C@H](NNc1ccccc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1829806144 BLSKTQYNSKXIIH-UUOWRZLLSA-N 482.346 -0.558 50 20 JBGD O=C([C@H](O)CCl)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCc4nc(O)nc(O)c4C3)C2)C1 1830725940 MSJKPYZYFMZUOQ-VHPWJVAPSA-N 470.910 -0.951 50 20 JBGD CCS(=O)(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)Br)C2)C1 1831329710 QTTRTANDIWLCFZ-XJKCOSOUSA-N 470.386 -0.446 50 20 JBGD CCCNC(=O)CCC(=O)NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1833423888 LAROZKMLTIJBND-UHFFFAOYSA-N 472.395 -0.142 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)c1ccccc1)CCO2 1835298696 PNGKIPJAXHIDIF-XXBNENTESA-N 469.498 -0.511 50 20 JBGD CC(C)N[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1)C(C)C 1835894458 LZDXZMNXARHMJH-NFBKMPQASA-N 461.368 -0.541 50 20 JBGD CCN(CC)C[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835932280 XTGNKHQYXTXSKI-MBSDFSHPSA-N 461.368 -0.586 50 20 JBGD CCS(=O)(=O)N[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](O)CCl)CC2)CC1 1836713641 JRVSFNYVBSUKJA-BBRMVZONSA-N 453.989 -0.088 50 20 JBGD O=C(CN1CCCC1=O)N1CCC(OC2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1837807767 LNGUMZOQIIOUAX-UHFFFAOYSA-N 457.336 -0.399 50 20 JBGD COC(=O)C1(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C(C)=N/NC(=O)c4ccc[nH]4)C3)C2)CC1 1839897024 TYABBBBPJGZKMZ-MNQDVBFDSA-N 475.502 -0.470 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(=O)nc4sccn34)C2)C1 1840185621 QKPQFLDEKSNDPA-NRFANRHFSA-N 492.558 -0.801 50 20 JBGD CC(C)(C)OC(=O)NCCOCC(=O)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843011922 KQCJEEBZKLQRHJ-UHFFFAOYSA-N 461.324 -0.275 50 20 JBGD CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C(=O)N2CCCC23CN(C(=O)c2ccc(B(O)O)cc2)C3)C1 1845105241 HMNVXMQGELAZMK-MSOLQXFVSA-N 473.335 -0.589 50 20 JBGD COc1ccc(CC(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)cc1S(=O)(=O)N1CCOCC1 728176830 LALOQOTWIOKEHC-INIZCTEOSA-N 475.589 -0.249 50 20 JBGD O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NNC(=O)C1CCN(c2ncccn2)CC1 728889292 BVDPYNGVMLBPGS-UHFFFAOYSA-N 457.516 -0.031 50 20 JBGD CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C(=O)N3CC[C@@]4(CN(C(=O)c5ccc(B(O)O)cc5)CCO4)C3)[C@@H]2C1 1783467536 SDQFNMWRGDXEAO-ZDQHKECQSA-N 499.373 -0.077 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cccnc1CS(C)(=O)=O)CCO2 1783936189 IBYXGBFBMUVQEU-NRFANRHFSA-N 481.575 -0.557 50 20 JBGD C=CC(=O)N[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C(C)=N/NC(=O)c3ccc[nH]3)[C@H]2C1 1787508619 LREMLDZYYALAOS-MMGYIDLSSA-N 458.519 -0.209 50 20 JBGD C[C@H](NC(=O)c1ccccn1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21 1790587800 MRYSZBBFYJLJTN-DWRORGKVSA-N 474.562 -0.447 50 20 JBGD CCS(=O)(=O)N[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C(C)=N/NC(=O)c1ccc[nH]1)C2 1793312284 PFUINDSUTBCYDI-GWLPNEETSA-N 482.563 -0.962 50 20 JBGD O=C(CCS(=O)(=O)c1ccccc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1795299208 SODYGVWOLLZVKU-OPMZPASUSA-N 486.355 -0.566 50 20 JBGD CCOC(=O)N[C@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc([N+](=O)[O-])ccc1OC(C)=O 1798524968 SROUYCNPKBOPJB-OESLAJAZSA-N 494.457 -0.212 50 20 JBGD O=C(NC[C@H]1CCN(C(=O)COc2ccc(O)nn2)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807373855 VAAUGFJPWIBKKY-VGOFRKELSA-N 477.286 -0.344 50 20 JBGD CN1CCN(CCC(=O)N2CCCC3(CCN(C(=O)c4ccc(B(O)O)cc4)CC3)C2)CC1 1809551449 RMZCXAZDYBDSHN-UHFFFAOYSA-N 456.396 -0.151 50 20 JBGD CN1CCN(CC(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(B(O)O)cc3)[nH]n2)CC1 1818911631 DRDOFBJYRBMKET-LJQANCHMSA-N 454.340 -0.357 50 20 JBGD CS(=O)(=O)CC(=O)N[C@@H]1CCc2nc(NC(=O)c3cnccc3C(=O)NN)sc2C1 1819795199 JTNQONNGZVVPGL-SECBINFHSA-N 452.518 -0.588 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](O)N2CCOCC2)CC1 1828965526 FJPPTKLBMWEISV-RBBKRZOGSA-N 459.352 -0.750 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCOC3=O)CCO2)C1 1831017979 PICNEDIORLKHFG-VQYZLWMVSA-N 476.490 -0.971 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(CN(C(=O)CCc3ccc(F)nc3)CCO2)C1 1832834956 BRAHCVCEIPKLFD-QHCPKHFHSA-N 486.504 -0.078 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)c1c(F)ccnc1Cl)CCO2 1833249118 JFQUKCMQMVMWAG-OAQYLSRUSA-N 477.685 -0.062 50 20 JBGD Cn1cc(CC(=O)N2CCC(N3CCC(NC(=O)c4cccc(B(O)O)c4)CC3)CC2)cn1 1834801545 VXQCMOMWRHNNMO-UHFFFAOYSA-N 453.352 -0.472 50 20 JBGD CC(=O)N/C(C)=C/C(=O)N1CCC(N2CCC(NC(=O)c3cnccc3C(=O)NN)CC2)CC1 1835738112 FAJAVQARKMCUAN-FYWRMAATSA-N 471.562 -0.090 50 20 JBGD C[C@@H](Nc1ccccn1)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835938228 RDOFLDKVRMCVEO-UZUQRXQVSA-N 468.319 -0.668 50 20 JBGD COC(=O)[C@@H]1CC=CC[C@H]1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835940195 YVPBNNAJQWMAPL-YOSAUDMPSA-N 486.330 -0.808 50 20 JBGD Cc1nc(N)sc1C(=O)N1CCOC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837457520 HYVWRQDUGGAIPZ-FQEVSTJZSA-N 475.531 -0.584 50 20 JBGD CNC(=S)NCCC(=O)N1CCC(OC2CCN(C(=O)c3cnccc3C(=O)NN)CC2)CC1 1838394146 WLCYBKSRLKTKLJ-UHFFFAOYSA-N 491.618 -0.219 50 20 JBGD Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)nn1C(F)F 1838705815 BAKYREMQLBXHGM-NRFANRHFSA-N 478.261 -0.350 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)CCNC(=O)OC(C)(C)C)C2)C1 1840187318 RZFNAXIFQYAJCH-QFIPXVFZSA-N 485.582 -0.269 50 20 JBGD COC(=O)c1ccc(Br)c(S(=O)(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c1 728510011 TUGLSAVDTSVPEZ-ZETCQYMHSA-N 458.312 -0.517 50 20 JBGD COc1ccc(C(=O)NNC(=O)CCN2C[C@@H](C)O[C@H](C)C2)cc1S(=O)(=O)N1CCOCC1 912924644 DWKYOVYWZJCQPM-HZPDHXFCSA-N 484.575 -0.024 50 20 JBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NCCNC(=O)c3ccco3)nc2)CC1 916259298 CQHRZAYRVOJUGR-UHFFFAOYSA-N 451.509 -0.333 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1779102319 GUZLBSOEEPPMNX-ZMTYOYNLSA-N 460.491 -0.342 50 20 JBGD Cn1c(=O)c2c(ncn2CC(=O)N2CCO[C@]3(CCN(C(=O)C(Cl)Cl)C3)C2)n(C)c1=O 1783944074 SARBMDPUHGQPBT-GOSISDBHSA-N 473.317 -0.933 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(Cl)c4nncn4c3)C[C@@H]21)c1cccc(B(O)O)c1 1786984266 XAIHMEBQGPUGBQ-FNHZYXHNSA-N 483.721 -0.030 50 20 JBGD CC(=O)Nc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)cc1O 1786984950 CDYWVARUTKLEAJ-JLMWRMLUSA-N 481.314 -0.063 50 20 JBGD CN[C@@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C(C)=N/NC(=O)c3ccc[nH]3)[C@H]2C1)C(=O)O 1787508804 JXHTXHYKWDPJCY-PGADULOUSA-N 462.507 -0.837 50 20 JBGD COC(=O)C12CC(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)c5ccc(B(O)O)cc5)C[C@@H]43)(C1)C2 1791015908 DDGFYFHVCKZGBN-KXSMRGEYSA-N 456.304 -0.697 50 20 JBGD CNC(=S)NCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C(C)=N/NC(=O)c1ccc[nH]1)C2 1797756325 KPMOTWXSNCYXQE-LVTGYEAHSA-N 463.564 -0.806 50 20 JBGD Cn1nc2c(c1C(=O)N[C@@H]1[C@H]3COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C3)CCC2 1800047837 KUZLXGQPZKDRMN-IVWMJMPLSA-N 453.503 -0.576 50 20 JBGD CN(CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CNC(=O)C1)NC(=O)NCc1ccccc1 1800525248 AGTMVVHHWUPXTH-DCXXXQMHSA-N 472.546 -0.942 50 20 JBGD C[C@@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1830544145 OJABKBMDAFRVCU-KBXCAEBGSA-N 463.373 -0.153 50 20 JBGD CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C(=O)N2CCOC[C@@]3(CN(C(=O)[C@@H](O)CCl)CCO3)C2)C1 1830733471 NCTHYFDMMTWGCO-JXSLOMFPSA-N 491.969 -0.730 50 20 JBGD CN(C)c1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)nc1 1833647631 NEONZCNOCIMTEM-HSZRJFAPSA-N 483.529 -0.470 50 20 JBGD O=C(CCBr)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCCS3(=O)=O)C2)C1 1834825509 ZIASLQLLSFHDMY-BBRMVZONSA-N 453.355 -0.195 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC1CCN(C2CCN(C(=O)[C@@H]3CCC(=O)NC3)CC2)CC1 1835734426 GVYQGDDHZKESGT-OAHLLOKOSA-N 471.562 -0.604 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc3cn[nH]c3cn1)CCO2 1837200787 RMRXGKSWULDGGF-NRFANRHFSA-N 459.507 -0.599 50 20 JBGD C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1)n1ccnc1 1837456792 QEZRZJOOKUNIOL-QVKFZJNVSA-N 457.491 -0.787 50 20 JBGD CCN(CC)C[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837459625 MHTLQKWHBARDDR-GAJHUEQPSA-N 476.578 -0.267 50 20 JBGD CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1 1837715408 OFWNSPXUFSTYEF-YLJYHZDGSA-N 474.583 -0.211 50 20 JBGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](NC(=O)c3ccccc3)[C@@H](C)O)C2)C1 1840149664 WTSAFPHBIVWCFW-NZQNYPKQSA-N 497.976 -0.124 50 20 JBGD CCOc1cnc(C(=O)N2CCOC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)cn1 1840183778 ZGASTEIUJKYYKE-NRFANRHFSA-N 464.523 -0.682 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3c(F)cncc3F)C2)C1 1840185316 KFOYFXONMOLAPN-FQEVSTJZSA-N 455.462 -0.197 50 20 JBGD C[C@H](NC(=O)c1ccccc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1840901274 CWDSNTZNQYQNFN-BVZFJXPGSA-N 495.341 -0.745 50 20 JBGD Cn1c(=O)c2ccc(C(=O)NNC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)nc2n(C)c1=O 43745696 YYJKUHBFPXQNIV-UHFFFAOYSA-N 486.510 -0.509 50 20 JBGD O=C(NNC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1)c1cccc(S(=O)(=O)N2CCCC2)c1 746386427 SELLGUFGQCINQL-GOSISDBHSA-N 493.586 -0.587 50 20 JBGD O=C(COC(=O)CNC(=O)c1ccc2c(c1)OCO2)NNC(=O)[C@@H]1COc2ccccc2O1 802192008 RJLDZHIACWWBBQ-KRWDZBQOSA-N 457.395 -0.324 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)Cc3cn4c(nc3=O)SCC4)C2)C1 1780939917 MVQNWCSZLWTFHH-OAQYLSRUSA-N 478.575 -0.906 50 20 JBGD C[C@@H](C(=O)N1CCO[C@@]2(CCN(C(=O)CN(C)NC(=O)NCc3ccccc3)C2)C1)n1cnnn1 1780968252 AAGZLMPDUTUACI-HTAPYJJXSA-N 485.549 -0.590 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCNC(=O)OC(C)(C)C)C[C@@H]21 1791290654 HHSHHUGBOPMLLT-FJIDUMEYSA-N 499.609 -0.385 50 20 JBGD CCS(=O)(=O)CC(=O)N1CCCC2(CCN(C(=O)c3cnccc3C(=O)NN)CC2)C1 1805967430 FNXAMGCOQYDWCZ-UHFFFAOYSA-N 451.549 -0.035 50 20 JBGD O=C(NC[C@@H]1CCN(C(=O)COc2cccnn2)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807376465 ZSXBIEVGPAWSMX-AVRDEDQJSA-N 461.287 -0.050 50 20 JBGD O=C(NC[C@@H]1CCN(C(=O)CCN2CCOC2=O)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807377083 XFKMJTONAQCWAP-GHTZIAJQSA-N 466.303 -0.077 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1CCN(C(=O)[C@H]2CCC(=O)N2)[C@H]1c1cccnc1 1810299139 NPNYANORMGZTTD-YJLNNSPDSA-N 451.487 -0.322 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@H]1CCN(C(=O)c2cc(O)nc(O)n2)[C@@H]1c1cccnc1 1810302925 NSGAKTOBIMEAJK-FZKQIMNGSA-N 478.469 -0.085 50 20 JBGD CN1CCN(CC(=O)N2CC[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2c2cccnc2)CC1 1813069736 BWTRFQGTOFICJO-WMZHIEFXSA-N 459.595 -0.292 50 20 JBGD CN1C(=O)CC[C@H]1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cnccc1C(=O)NN)CC2 1823050787 MRCLNDRAFWUFPA-YGRLFVJLSA-N 457.516 -0.012 50 20 JBGD Cc1cc2nnc(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)[C@H](O)CCl)CCO4)c(C)n2n1 1830728476 UBHJEELZPZCADI-KUHUBIRLSA-N 452.899 -0.589 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1nc(C)c(C)[nH]c1=O)CCO2 1833387385 YAKBMLGGKCYOCB-JEWPKMHUSA-N 499.528 -0.409 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)c3ccc4ncnn4c3)CC2)CC1)c1ccc(B(O)O)cc1 1834798666 WIOKMYIAQJNYPU-UHFFFAOYSA-N 476.346 -0.092 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC1CCN(C2CCN(C(=O)Cn3ccncc3=O)CC2)CC1 1835738229 NMLQKHZAJFGROM-UHFFFAOYSA-N 482.545 -0.873 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)c3nccc4nc[nH]c34)C2)C1 1835928316 KHRDRYVNIOZVEW-QFIPXVFZSA-N 465.275 -0.979 50 20 JBGD CCOC(=O)c1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)ccn1 1835931631 ULDXWRXSXTXZSB-DEOSSOPVSA-N 497.313 -0.678 50 20 JBGD C[C@H](Nc1cccnc1)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835935783 QYWHKZUFOVZRPU-GAJHUEQPSA-N 468.319 -0.668 50 20 JBGD Cc1ccc(OCC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)cc1 1835935845 UWOXUUUBHUUING-DEOSSOPVSA-N 468.315 -0.176 50 20 JBGD O=C(CS[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835938232 RJKBBCCUCWFHSE-IRLDBZIGSA-N 478.376 -0.304 50 20 JBGD C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1)n1cccc1C=O 1835955467 UOSKQFDHJIGBIX-GAJHUEQPSA-N 469.303 -0.688 50 20 JBGD CCOC(=O)N[C@@H](O)C(=O)N1CCC(OC2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1 1838357400 AZMQNKVHRGWLDB-IBGZPJMESA-N 471.555 -0.578 50 20 JBGD C[C@@](Cl)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1839153673 OAFCYAIOIZYAHN-RTBURBONSA-N 474.345 -0.009 50 20 JBGD Cc1cn(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@](C)(Cl)CCl)CCO3)c(=O)nc1O 1839156367 NRHHCBDGQBGEHB-MOPGFXCFSA-N 477.345 -0.050 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc4nccn34)C2)C1 1840185583 UKMHCUZSFYNRBR-JOCHJYFZSA-N 458.519 -0.223 50 20 JBGD Cc1cc(C)n(CCC(=O)N2CCO[C@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)n1 1840348351 LEMMAONSNWWMDR-QFIPXVFZSA-N 464.567 -0.281 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1CCc2nc(O)nc(O)c2C1 1848215266 XIUFKJVHMQESAV-KKXDTOCCSA-N 452.276 -0.812 50 20 JBGD COc1ccc(S(=O)(=O)NCCC(=O)NNC(=O)CNC(=O)c2ccco2)cc1OC 725739368 DBNKILGRGWJHGT-UHFFFAOYSA-N 454.461 -0.457 50 20 JBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)COc2ccc(S(N)(=O)=O)cc2)c1 749400421 LXOGPLDQUGMEQD-UHFFFAOYSA-N 456.502 -0.576 50 20 JBGD CCn1cnc2c1c(=O)n(CC(=O)NNC(=O)c1cnns1)c(=O)n2Cc1ccccc1 918255021 JOJMLHLTSJOHON-UHFFFAOYSA-N 454.472 -0.259 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@]2(CCN(C(=O)C[C@](C)(O)CC(=O)O)C2)C1 1783926562 NISUTHYAVICIMG-LQAUXRIUSA-N 463.491 -0.434 50 20 JBGD COCCOCCOCCOCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]2C1 1784093837 GVWAQCQTLDOZGR-XSLAGTTESA-N 466.959 -0.738 50 20 JBGD O=C(NC[C@H]1CCN(C(=O)c2cnc(O)nc2O)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807360398 ASVPDBLTEWMHTO-CRAIPNDOSA-N 463.259 -0.404 50 20 JBGD CCOC(=O)N[C@H](O)C(=O)NC[C@@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1810097679 YDROMIDTKJXEQO-JNAXZKDPSA-N 485.501 -0.536 50 20 JBGD CN(C)NC(=O)CCC(=O)N[C@@H]1CCc2nc(NC(=O)c3n[nH]c4c3CS(=O)(=O)C4)sc2C1 1815854394 OJGDOKWUKTYOCO-SNVBAGLBSA-N 495.587 -0.107 50 20 JBGD CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1 1830574973 NADLGWZHZSQESF-JCGVRSQUSA-N 453.895 -0.137 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)c3cnc(Cl)s3)C2)C1 1835938192 PKESFRCTKYDNOG-LJQANCHMSA-N 465.724 -0.140 50 20 JBGD Cn1ncc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)c1Cl 1838307908 CBLWOGXGRLNJRQ-HXUWFJFHSA-N 477.909 -0.544 50 20 JBGD COc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)cc1 1838966035 YBFSITSGUUSVLI-QHCPKHFHSA-N 454.288 -0.241 50 20 JBGD O=C(O)c1cnncc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839200426 KNRVBMZZZDXBPQ-BLLLJJGKSA-N 461.244 -0.065 50 20 JBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](COC(C)=O)OC(C)=O)C2)C1 1840153167 GKTKZFPMKMEKAZ-FRQCXROJSA-N 464.899 -0.809 50 20 JBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 729274753 CBFIASQMNMNUOJ-SNVBAGLBSA-N 468.504 -0.549 50 20 JBGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)c1 746386234 PSRDXEKGHRZNQU-GOSISDBHSA-N 495.602 -0.341 50 20 JBGD CNS(=O)(=O)c1ccc(Br)c(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)c1 1115818493 CIRJYICYOCMJNZ-MRVPVSSYSA-N 454.324 -0.447 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)c3cn4cccnc4n3)C2)C1 1778475003 HNVZTRLDKDPEGS-NRFANRHFSA-N 450.459 -0.515 50 20 JBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2)c1cn2cccnc2n1 1778990994 OTZWDTXOSJFSDO-AUSIDOKSSA-N 463.303 -0.150 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(C1)CN(C(=O)C(F)(F)C(F)(F)C(=O)O)CCO2 1779028355 JOOYBDAHKCBSRQ-INIZCTEOSA-N 477.371 -0.516 50 20 JBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2)[C@@H]1CCCS1(=O)=O 1781652946 QMOTZUDOWQVTOK-WAOWUJCRSA-N 464.349 -0.929 50 20 JBGD COC(=O)c1ccc(C(=O)N2CC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)c([N+](=O)[O-])c1 1782090133 OGYABCGSXMWJKJ-HSZRJFAPSA-N 497.269 -0.182 50 20 JBGD CC(=O)N/C(=C\c1ccco1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786981893 ORMDELVZDKDGHT-OBKPZPLISA-N 481.314 -0.270 50 20 JBGD CCS(=O)(=O)N[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](F)Br)[C@H]2C1 1789921647 UICAEHABHWRPQC-QNWJLWSRSA-N 458.350 -0.016 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)n3cncn3)[C@H]2C1 1791612581 UXDWKKPTCAYZKN-IRSIXNSJSA-N 456.507 -0.047 50 20 JBGD COC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2 1800799768 HNBUBZCHVRQGKP-JTTNIQEDSA-N 477.942 -0.368 50 20 JBGD O=C(NC[C@H]1CCN(C(=O)COc2ccc(O)nn2)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807367128 QGDGULWIZYGOJI-VGSWGCGISA-N 477.286 -0.344 50 20 JBGD NNC(=O)c1ccncc1C(=O)N[C@H]1CCc2nc(NC(=O)c3cc(=O)n4[nH]cnc4n3)sc2C1 1815330177 MRQQDSFWSIMFDR-VIFPVBQESA-N 494.497 -0.588 50 20 JBGD CNC(=S)NCCC(=O)N[C@H]1CCc2nc(NC(=O)CCC(=O)NN(C)C)sc2C1 1826088133 SGGAACUABYJESA-NSHDSACASA-N 455.610 -0.088 50 20 JBGD O=C1CN(c2cccc(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)[C@@H](O)CCl)CCO4)n2)CCCN1 1830725942 STGNKLATVUASGE-HTAPYJJXSA-N 495.964 -0.922 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1COc3ccccc3O1)CCO2 1832492711 ONASZEFVTBSTGP-QPPBQGQZSA-N 482.298 -0.724 50 20 JBGD O=C(CCc1cccc([N+](=O)[O-])c1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835927822 XSMGQVCYFSBGPL-XMMPIXPASA-N 497.313 -0.023 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)c3noc4c3CCCC4)C2)C1 1835928341 LKURRKVUWXSXSK-HSZRJFAPSA-N 469.303 -0.383 50 20 JBGD Cc1ccccc1NCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835928402 NWLLDZKPWBDVCJ-XMMPIXPASA-N 467.331 -0.143 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)Cc3ccccc3)C2)C1 1835932191 SKTPCXNHSMVFQJ-URXFXBBRSA-N 468.315 -0.960 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)c3cnoc3C3CC3)C2)C1 1835935332 OQOWTSXHEUOMBM-QFIPXVFZSA-N 455.276 -0.384 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)c3c(F)ccc(O)c3F)C2)C1 1835939303 LSAWPHWCMRGLTO-QFIPXVFZSA-N 476.241 -0.266 50 20 JBGD Cc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)ccc1O 1835939443 RBKWWEGLMRHQDV-HSZRJFAPSA-N 454.288 -0.236 50 20 JBGD COc1nc(C)ccc1C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1838177617 CIPHWIHEPASLIF-JOCHJYFZSA-N 463.535 -0.158 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1nccnc1C)CCO2 1838213999 YKXJDSDMWCSSKM-XDEFOSFOSA-N 469.502 -0.011 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)c1cc(Cl)ncn1)CCO2 1838255171 XBLAHDKDYOLXDC-FQEVSTJZSA-N 460.683 -0.806 50 20 JBGD C[C@@](Cl)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)CCN3C(=O)C=CC3=O)C2)C1 1839150796 XTKIGQQXLKEPHK-MOPGFXCFSA-N 462.330 -0.006 50 20 JBGD O=C(Cn1cccc([N+](=O)[O-])c1=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839203078 YWLIHIVNKFYRRJ-YOEHRIQHSA-N 491.270 -0.097 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncn(-c4ccccc4)n3)C2)C1 1840184007 NMSYAPLJRHQGBF-QHCPKHFHSA-N 485.545 -0.290 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccccc3-n3nccn3)C2)C1 1840185360 OKAWFVZBYDLPFI-QHCPKHFHSA-N 485.545 -0.290 50 20 JBGD CC(=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O)c1ccc(S(=O)(=O)N(C)C)cc1 730568848 FIZYQRVYXRXKJN-UHFFFAOYSA-N 454.534 -0.638 50 20 JBGD CC(C)NC(=O)CCNC(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 916270370 AOORANPIFQFLLZ-UHFFFAOYSA-N 469.564 -0.115 50 20 JBGD CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 919886182 RCICJZWZISILPH-HIFRSBDPSA-N 478.618 -0.087 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)c3ccc4nc(CO)[nH]c4c3)C2)C1 1777706218 ONDGJHCBEROGST-JOCHJYFZSA-N 458.519 -0.128 50 20 JBGD CS(=O)(=O)N1CCC(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)[C@@H](O)CCl)C3)CC1 1778753109 USXBNRBJXGGNIY-FRQCXROJSA-N 466.000 -0.228 50 20 JBGD COC[C@@H](NC(C)=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C(C)=N/NC(=O)c1ccc[nH]1)C2 1779554479 KWMWTIGMBSGCKB-PVDPAYHFSA-N 490.561 -0.215 50 20 JBGD COc1ccnc(C(=O)N2CC[C@@]3(CN(C(=O)c4cnccc4C(=O)NN)CCO3)C2)c1OC 1780449983 NVLSMDYPEISMEU-QFIPXVFZSA-N 470.486 -0.145 50 20 JBGD CSCC[C@H](O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2 1782227435 JEGQONJWUKAFQD-WAOWUJCRSA-N 450.366 -0.392 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=C/C(=O)NCc3ccco3)[C@H]2C1 1788720201 OYAUCMKHLWLXIJ-PMDDTWQMSA-N 496.524 -0.256 50 20 JBGD C[C@H](NNc1ccccc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1792509013 IUZSMONIHUUKEN-MFCZKXCZSA-N 467.530 -0.107 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1COc3ccccc3O1)C2)c1ccc(B(O)O)cc1 1795732818 LHOFGYLODWUFSO-VAKZPMALSA-N 452.272 -0.590 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc([N+](=O)[O-])o1)C2)c1cccc(B(O)O)c1 1795737822 WULOWLAHYGJOJK-KSFLNHNRSA-N 455.232 -0.216 50 20 JBGD C[C@H]1Oc2ccc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)c3cccc(B(O)O)c3)cc2NC1=O 1795740351 WVOIDAPINSKLND-DBDYQOSUSA-N 479.298 -0.397 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)c2cc(O)nc(O)n2)[C@H]1c1cccnc1 1813070722 MNJQWJRSLOKINW-KUHUBIRLSA-N 457.491 -0.025 50 20 JBGD CCS(=O)(=O)N[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(B(O)O)c2)CC1 1824459612 DQISLLQYDDVLAE-OXQOHEQNSA-N 479.408 -0.073 50 20 JBGD CC[C@@H](NC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C2)C1 1829854656 RLMYIWWHTZSCCN-YRVCAUPTSA-N 476.534 -0.509 50 20 JBGD O=C([C@H](O)CCl)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CC(c4ccccc4)=NN3)C2)C1 1830736842 WOTZXKAWFUOQEG-WAOWUJCRSA-N 450.923 -0.191 50 20 JBGD O=C(c1ccc(N2CCOCC2)cn1)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1833614840 GZANNLZUUUHACN-GHTZIAJQSA-N 468.938 -0.412 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCC(N2CCC(NC(=O)[C@@H]3CCC(=O)N3)CC2)CC1 1834526293 CGGGUQODYVSGGA-SFHVURJKSA-N 457.535 -0.851 50 20 JBGD CC(=O)OC[C@H](OC(C)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)CCBr)CCO2)C1 1834823280 MDODBIZSOMNCKK-MAUKXSAKSA-N 479.324 -0.277 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(CN(C(=O)CCN3CCOCC3)CCO2)C1 1835444319 VRNWGGAUFDIPEC-DMUURETOSA-N 490.561 -0.701 50 20 JBGD C[C@H](Cc1ccncc1)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835932323 ZJSXBIDFZSGRDN-KOSHJBKYSA-N 467.331 -0.290 50 20 JBGD C[C@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837455684 DKYNFJYNNGNNSB-YJYMSZOUSA-N 484.351 -0.214 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cncc(F)c3)C2)C1 1837456850 OHFSCUNUMGRKCE-OAQYLSRUSA-N 458.450 -0.397 50 20 JBGD O=C(O)c1cnncc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1837949167 LWNMTNSTIOBAPX-BLLLJJGKSA-N 461.244 -0.065 50 20 JBGD O=C(CCN1CCOCC1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839198840 DLRSNZCFMUMNQR-DOTOQJQBSA-N 452.321 -0.144 50 20 JBGD Cc1cccc2c(C(=O)N3CCO[C@]4(COCCN(C(=O)c5cccc(B(O)O)c5)C4)C3)n[nH]c12 1839595025 UMRRZBUBLPXOCS-DEOSSOPVSA-N 478.314 -0.065 50 20 JBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)NC(=O)OC(C)(C)C)C2)C1 1840154936 KUJUBSYAKOMBJN-IQUTYRLHSA-N 465.931 -0.460 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ncc(F)cc3F)C2)C1 1840182937 WUFDRGCIOIUXOW-HXUWFJFHSA-N 455.462 -0.197 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c(c3)OCO4)C2)C1 1840184163 ASTAMLBYZJSXKT-QFIPXVFZSA-N 462.503 -0.142 50 20 JBGD Cc1ccc(C(=O)NCC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)cc1 1840904786 WMUJDFVAZSRRIW-VWLOTQADSA-N 495.341 -0.825 50 20 JBGD CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](C(=O)N2CCCC23CN(C(=O)c2ccc(B(O)O)cc2)C3)C1 1845105242 HMNVXMQGELAZMK-QZTJIDSGSA-N 473.335 -0.589 50 20 JBGD CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)NNC(=O)C2CCN(c3ncccn3)CC2)c1 728981192 PAKVABXHOWBAAB-UHFFFAOYSA-N 489.558 -0.479 50 20 JBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)NCCS(=O)(=O)N2CCSCC2)c1 730672685 JRTNBBRIKKSAHT-UHFFFAOYSA-N 479.606 -0.741 50 20 JBGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)C1=CC=CN2CCS(=O)(=O)N=C12 761387522 TYSVEAFCXSXZBU-UHFFFAOYSA-N 452.518 -0.453 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)c3cnc4c(c3)CCNCC4)CCO2)C1 1779036859 HDIMNSCEDTWNSJ-XMMPIXPASA-N 479.541 -0.474 50 20 JBGD COc1cc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cnccc2C(=O)NN)C3)nn1C 1780246003 QIGGTKNYPPUCSM-VGOFRKELSA-N 471.518 -0.132 50 20 JBGD CCNC(=O)N[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCC(=O)NN(C)C)C1 1782214850 NKAZVIPMGXKRLN-GCKMJXCFSA-N 454.572 -0.419 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cccc(N3CCOCC3)n1)CCO2 1783934178 BQBXBQASOPVPDP-QHCPKHFHSA-N 474.562 -0.265 50 20 JBGD CN(C)c1ncc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cnccc4C(=O)NN)C[C@@H]32)o1 1785887026 XHJKYQTYKGOCDP-RCBQFDQVSA-N 457.491 -0.354 50 20 JBGD C[C@H](NC(=O)c1ccc(F)cc1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786984785 JSBVJYDBYMXTLA-UYIIBVGGSA-N 497.332 -0.083 50 20 JBGD C[S@](=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)CCl 1792975582 VYKDBZABALZARO-HILCORGGSA-N 496.026 -0.162 50 20 JBGD C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C 1801014046 BMNPNZXJGFCVSM-CLWJZODNSA-N 479.578 -0.134 50 20 JBGD CC[C@@H](NC(C)=O)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1802879907 JSKZHYKYLQEQPU-TYPHKJRUSA-N 452.320 -0.004 50 20 JBGD O=C(NC[C@@H]1CCN(C(=O)CN2CCS(=O)(=O)CC2)[C@H]1c1cccnc1)[C@H](O)CCl 1803136445 QSBLLJCHINDSPV-JZXOWHBKSA-N 458.968 -0.583 50 20 JBGD N=C1NCCN1CC(=O)N1CC[C@@H](CNC(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1810303923 XFEJOIIKFPEBJC-HNAYVOBHSA-N 465.518 -0.760 50 20 JBGD C[C@@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)CCN3C(=O)C=CC3=O)C2)C1 1830535146 JVOPCTSWIDZEBX-LIRRHRJNSA-N 472.336 -0.211 50 20 JBGD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830728996 ZQWZPPZPIHCVDH-UWJYYQICSA-N 464.906 -0.165 50 20 JBGD CN(C)c1ncc(C(=O)NC2CCN(C3CCN(C(=O)c4ccc(B(O)O)cc4)CC3)CC2)o1 1834095353 GRLQVIXMVVIOAA-UHFFFAOYSA-N 469.351 -0.081 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCC(N2CCC(NC(=O)c3cc(O)nc(O)n3)CC2)CC1 1835075754 ZJHDTCPDSNGMDF-UHFFFAOYSA-N 484.517 -0.615 50 20 JBGD CC(C)(C)OC(=O)N[C@H](CCN)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1835640462 LOOZPSAHYVBSDG-SXGZJXTBSA-N 478.974 -0.715 50 20 JBGD O=C(c1ccc2cncn2c1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835930627 QKGZWEMMQGWOST-QHCPKHFHSA-N 464.287 -0.602 50 20 JBGD C[C@]1(C(=O)N2CCOC[C@]3(CN(C(=O)c4cnccc4C(=O)NN)CCO3)C2)CC1(F)F 1837461526 XVLJNSNVBXMAAS-MOPGFXCFSA-N 453.446 -0.200 50 20 JBGD COc1cc(OC)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)c1 1838933490 PDXZWQWOEBUJNH-DEOSSOPVSA-N 484.314 -0.233 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(O)ccc1O)CCO2 1839449097 SKPMCSKUKYKQIC-NRFANRHFSA-N 450.492 -0.459 50 20 JBGD O=C(CCBr)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCCS1(=O)=O)CCO2 1839781026 CUDNTYJAYPEJRK-BBRMVZONSA-N 453.355 -0.195 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc4c(c3)CCO4)C2)C1 1840185422 PVDHREHYXSYDMK-XMMPIXPASA-N 474.558 -0.007 50 20 JBGD COC(=O)c1ccc(OCC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)cc1 1840957766 SIIRTMAADLVHPX-LAUBAEHRSA-N 470.906 -0.092 50 20 JBGD CS(=O)(=O)Nc1ccc(O)c(C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)c1 728333561 JBUICRMHLBJKFE-MRXNPFEDSA-N 465.440 -0.092 50 20 JBGD O=C(Cc1cccnc1)NNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 728852428 AELMROMWTNZPLO-UHFFFAOYSA-N 489.554 -0.057 50 20 JBGD COc1cc2c(cc1OC)[C@@H](CC(=O)NNC(=O)C1=NN(C)C(=O)CC1)N(S(C)(=O)=O)CC2 761414151 DCXULXGIGRPTPF-OAHLLOKOSA-N 481.531 -0.292 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)c3cccc4c3OCCO4)C2)C1 1777834953 ZWRMFEZFAZUILG-QHCPKHFHSA-N 452.272 -0.105 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cnccc1C(=O)NN)C2 1779372677 VSFJXEIWOLRJKN-WZONZLPQSA-N 496.528 -0.875 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(CCN(C(=O)Cc3ccc4ncnn4c3)C2)C1 1780950780 ZCEOGIZTQMYNNR-JOCHJYFZSA-N 464.486 -0.586 50 20 JBGD CN(CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cnc(O)nc1O)CCO2)NC(=O)NCc1ccccc1 1780969718 JAIFQNXSXJFYQT-QHCPKHFHSA-N 499.528 -0.323 50 20 JBGD COC(=O)[C@H]1CC[C@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)C1 1784082539 RLSVEMRRKOIJFY-TXTPUJOMSA-N 458.320 -0.451 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3=NN(C)C(=O)CC3)[C@H]2C1 1784976608 DLQKUUOKQLYZAB-ARQYOALSSA-N 471.518 -0.292 50 20 JBGD CCOC(=O)N1CCC(C(=O)N2CC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)CC1 1785373228 NHOSORNBXYAARK-QHCPKHFHSA-N 473.335 -0.322 50 20 JBGD CC(C)(NCCC#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1 1788610806 VODDEBWCFQBMFK-WBAXXEDZSA-N 457.535 -0.440 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc4c(c3)NC(=O)CO4)C[C@@H]21 1788611103 MIGCFKYJUASSFN-VHFSOBRXSA-N 494.508 -0.077 50 20 JBGD N#Cc1ccccc1OCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1792145573 AMIIXQKJBJTJNT-VCOUNFBDSA-N 463.299 -0.090 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CC(c3ccccc3)=NN1)C2)c1cccc(B(O)O)c1 1795741306 SWWUZIODYAHETL-GMQQQROESA-N 462.315 -0.664 50 20 JBGD CC(=O)N1CCN(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)/C(C)=N/NC(=O)c2ccc[nH]2)CC1 1796892472 GFCQRUUZXXEEOU-JAEJZPAFSA-N 471.562 -0.077 50 20 JBGD CC(C)(C)OC(=O)NC1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)CC1 1797756437 JFRMAOXDBBYEFE-XOIINTDNSA-N 488.545 -0.054 50 20 JBGD CC(C)(C)OC(=O)N1C[C@H]2C[C@@]2(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)C1 1800714388 BOEWQQJOXGPMSU-ZTDQHOIESA-N 499.373 -0.173 50 20 JBGD CN1N=C(C(=O)N2CC[C@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)CCC1=O 1807369951 ZLGNEFHOBVEUAT-DYESRHJHSA-N 463.303 -0.311 50 20 JBGD O=C(NC[C@@H]1CCN(C(=O)c2cc(CO)on2)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807375369 OCWOFWIXTDLTQI-OXJNMPFZSA-N 450.260 -0.125 50 20 JBGD COC[C@H](Cl)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(=O)n3[nH]nnc3n1)CC2 1825999492 XGWPOLKJTOFZMO-YUMQZZPRSA-N 452.884 -0.251 50 20 JBGD O=C(CCBr)N1CCOC[C@@]2(C1)CN(C(=O)CCN1C(=O)C=CC1=O)CCO2 1832019402 MQYVXKYQCXTLJI-GOSISDBHSA-N 458.309 -0.457 50 20 JBGD O=C(CNC(=O)c1ccco1)NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834868397 YNNFMGZHSCERTB-UHFFFAOYSA-N 482.346 -0.425 50 20 JBGD C[C@@H](Nc1cccnc1)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1835686690 LHCDFYGRYLQUAN-UZUQRXQVSA-N 468.319 -0.668 50 20 JBGD COc1ccccc1CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835939588 BLQWJLBOKBDKAL-DEOSSOPVSA-N 468.315 -0.312 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(CO)o3)C2)C1 1837459446 PCPUOIQXECXSLB-OAQYLSRUSA-N 459.459 -0.846 50 20 JBGD C[Si](C)(C)OCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1837711804 QUPPRBRDHFUXMU-HXUWFJFHSA-N 450.373 -0.712 50 20 JBGD N#CCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)cc1 1839361918 NSYKZHKVAPZNIK-DEOSSOPVSA-N 463.299 -0.184 50 20 JBGD C[C@H](Cn1ccnc1)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1840431543 KMSWKRWGVLNQOI-OPAMFIHVSA-N 471.518 -0.712 50 20 JBGD Cc1ccc(C(=O)NCC(=O)N2CCO[C@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)cc1 1840906196 YFLNXVVDIZLWQF-DEOSSOPVSA-N 489.573 -0.446 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)[C@@H]2[C@@H](O)CCN2Cc2ccccc2)C1 1845836297 YORWYWZGHUXKHD-VXKWHMMOSA-N 463.343 -0.181 50 20 JBGD O=C(NNC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@H]2CCCO2)c1)N[C@@H]1CCS(=O)(=O)C1 919886681 YLWINBUNSTXQTF-CHWSQXEVSA-N 494.979 -0.072 50 20 JBGD Cn1cc(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cnccc3C(=O)NN)C2)cn1 1779374765 DRVKBUIAVWGYMC-XMSQKQJNSA-N 455.519 -0.211 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)[C@H]1CC(=O)N(C2CCCC2)C1 1784967867 PJDVWJFJVWMNLL-GPHNJDIKSA-N 483.374 -0.249 50 20 JBGD CC[C@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNCP(=O)(O)O)[C@H]2C1 1786793036 SMKMYTFBCORPHA-CYDGBPFRSA-N 456.274 -0.136 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(=O)NCC(C)C)[C@H]2C1 1787526481 MAMFHNZNYPZRMS-GZERKGCBSA-N 460.535 -0.128 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21 1792271554 MHJZSXDJJZYYJV-LXFSFDBISA-N 476.958 -0.666 50 20 JBGD CN[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc([N+](=O)[O-])ccc1OC(C)=O)C2)C(=O)O 1795643415 KUGJWOMNBSHHJN-AODNKKSCSA-N 478.458 -0.214 50 20 JBGD CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1 1796192319 ZSWGNOUIRFLHGX-IVDHNXQLSA-N 487.362 -0.012 50 20 JBGD O=C(COc1cc(Cl)ccn1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1797902315 CBOALKGSJANEHV-YVWYUNDQSA-N 459.695 -0.303 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)CCS(C)(=O)=O)[C@H]1c1cccnc1 1813073828 LYSFYHDOCSIBFO-JXFKEZNVSA-N 453.565 -0.105 50 20 JBGD Cc1cn(CC(=O)NC[C@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)c(=O)nc1O 1814038938 IOTHFSKDHGQDCK-WIYYLYMNSA-N 491.313 -0.648 50 20 JBGD CC(=O)N1CCN(CC(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cnccc3C(=O)NN)n[nH]2)CC1 1819403344 FWPLKUCMDMVHSS-IBGZPJMESA-N 497.560 -0.122 50 20 JBGD Cc1nn2cc(CC(=O)N3CCOC[C@]4(C3)CN(C(=O)[C@H](O)CCl)CCO4)nc2s1 1830726944 XLGIXJVNPBCJFX-KDOFPFPSSA-N 457.940 -0.302 50 20 JBGD CCCNC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C2)C1 1831196259 AKRZHHJLGKIGNS-OINMWHHXSA-N 490.561 -0.117 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCC(=O)N3)C2)C1 1832549459 PWYSHJSHEKCYIQ-LRAJWGHMSA-N 488.969 -0.147 50 20 JBGD O=C(Cn1cc([N+](=O)[O-])cn1)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1832799809 DFPVNIKTYFHOTR-DZGCQCFKSA-N 464.248 -0.062 50 20 JBGD CN1CCC[C@H]1C(=O)NC1CCN(C2CCN(C(=O)c3cnccc3C(=O)NN)CC2)CC1 1833622234 LIMYNRQZWQFHBF-FQEVSTJZSA-N 457.579 -0.036 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(-n3cnnc3)cc1)CCO2 1835494008 BAVWWTWWPYBPEH-XMMPIXPASA-N 491.313 -0.669 50 20 JBGD O=C(/C=C/c1cccc(O)c1)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835940177 XWINANOLOCKROE-UROCCOEBSA-N 466.299 -0.145 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccn3ccnc13)CCO2 1836997514 FIJBPDMCPZCQPF-HSZRJFAPSA-N 464.287 -0.602 50 20 JBGD CN(CC(=O)N1CCO[C@@]2(COCCN(C(=O)C3CC(=O)C3)C2)C1)NC(=O)NCc1ccccc1 1839054888 OGFLWXNXNRPHTI-DEOSSOPVSA-N 487.557 -0.232 50 20 JBGD CC(=O)N1CCN(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](F)Br)CCO3)CC1 1839201327 VCCBGCVHQAPIQI-FUHWJXTLSA-N 479.347 -0.703 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)c1cc3ncccc3[nH]1)CCO2 1839491892 GKZYCWRKZSRNIG-QHCPKHFHSA-N 464.287 -0.374 50 20 JBGD O=C(CCBr)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCCS1(=O)=O)CCO2 1839781028 CUDNTYJAYPEJRK-CZUORRHYSA-N 453.355 -0.195 50 20 JBGD COc1cccc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)CCC(=O)NN(C)C)CCO3)n1 1840182788 VBBWYDGXOMYTBU-HSZRJFAPSA-N 477.562 -0.148 50 20 JBGD COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NNC(=O)CCN1C[C@H](C)O[C@H](C)C1 751425938 OEEUINLFLDGLET-IYBDPMFKSA-N 484.575 -0.024 50 20 JBGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 912848146 DUJYUNJUPJFQLX-UHFFFAOYSA-N 464.529 -0.101 50 20 JBGD COc1cc2c(cc1OC)[C@@H](CC(=O)NNC(=O)c1cn(C)c(=O)nc1O)N(S(C)(=O)=O)CC2 916159333 QKNJVTNEUUXNHW-CQSZACIVSA-N 495.514 -0.787 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(C1)CN(C(=O)c1nn[nH]c1C(F)(F)F)CCO2 1779032707 TVZIAVNUUOQBDV-QGZVFWFLSA-N 468.396 -0.421 50 20 JBGD CN(CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cn1cnnn1)C2)NC(=O)NCc1ccccc1 1780559261 GQYMXNGNNLIFGY-AUSIDOKSSA-N 499.576 -0.467 50 20 JBGD CC(=O)N[C@H](C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1)c1ccc(F)cc1 1780908594 XECCIFGMMLWWTN-URXFXBBRSA-N 483.305 -0.174 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CS(=O)(=O)N1CCCC1)C2 1782211904 FEILEAALACEMGM-DYESRHJHSA-N 487.623 -0.701 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)c3ccc(N4C(=O)C=CC4=O)cc3)C2)C1 1785221401 GBKAUXMYJLMOKJ-VWLOTQADSA-N 489.293 -0.447 50 20 JBGD CS(=O)(=O)c1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)nc1 1786984469 JPXNERGMCCQPNM-QSFXBCCZSA-N 487.343 -0.928 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nc[nH]c3[N+](=O)[O-])[C@H]2C1 1787477607 OBDBNJPGEZZSNW-BPNCWPANSA-N 458.435 -0.777 50 20 JBGD Cc1nc2ncccn2c1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1 1788610075 BEZSGVOMYTWESQ-WBAXXEDZSA-N 478.513 -0.057 50 20 JBGD C[C@@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(=O)n3[nH]cnc3n1)C2 1792868330 WIAXDGZQNMXYMN-DYNIEEOBSA-N 453.297 -0.348 50 20 JBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCn1c(=O)oc2ccccc21 1793985259 HKBBAFMARDHKKU-MFKICJERSA-N 473.530 -0.053 50 20 JBGD Cn1c(=O)c2c(ncn2CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@@H](F)Br)C3)n(C)c1=O 1794252707 KMLNSMCHUNUSKT-FBKDDSFISA-N 485.314 -0.238 50 20 JBGD COc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)cc1O 1795737814 VXPHJBWULCACOH-FAQVEIGNSA-N 454.288 -0.474 50 20 JBGD C[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)NC(=O)OC(C)(C)C 1796387384 VHCZGXZUZFRRAZ-DFYYWFRZSA-N 475.351 -0.127 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)Cn1cncn1)C2 1796441482 KZBNFXSVNXNQMG-VNXVFKGLSA-N 456.507 -0.362 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)CN2C(=O)C=CC2=O)[C@@H]1c1cccnc1 1813072895 GQDYJRGQSXWAJZ-OPAMFIHVSA-N 456.503 -0.615 50 20 JBGD O=C1CN(c2cccc(C(=O)N3CCOC[C@]4(C3)CN(C(=O)[C@@H](O)CCl)CCO4)n2)CCCN1 1830725952 STGNKLATVUASGE-JTSKRJEESA-N 495.964 -0.922 50 20 JBGD CN(CC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(B(O)O)c2)CC1)C(=O)C(=O)O 1831163170 KEYHHUIOZWYSOX-SFHVURJKSA-N 459.308 -0.857 50 20 JBGD CC[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)CCN3C(=O)C=CC3=O)CCO2)C1 1832025502 ZARAWPKCDLFQIO-IFXJQAMLSA-N 472.336 -0.069 50 20 JBGD C[C@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCS(=O)(=O)CC3)CCO2)C1 1832483828 RUJUVMGSTHQQGP-QAPCUYQASA-N 496.424 -0.796 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)[C@@H]3CC[C@@H]4CCC(=O)N4C3)CC2)CC1)c1cccc(B(O)O)c1 1834801337 YVCBBHSQHZCJJE-AUSIDOKSSA-N 496.417 -0.047 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnc(N)s1)CCO2 1835841493 WFPZADGHENHHCP-AFEQLLIESA-N 475.531 -0.071 50 20 JBGD CN(CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2)C(=O)OC(C)(C)C 1835935373 CPNSRIZTSHGXIE-QHCPKHFHSA-N 491.350 -0.697 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3nnc(C)o3)CCO2)C1 1836022331 CIVZZAXLVAABSY-KURUZVKSSA-N 473.490 -0.489 50 20 JBGD Cc1nn(C)c(C)c1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837456566 OLJHPNFUUMCBNW-JOCHJYFZSA-N 471.518 -0.581 50 20 JBGD CN(CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnn3C)C2)C1)NC(=O)NCc1ccccc1 1839054011 BLEXVDGLRYSQBH-XMMPIXPASA-N 499.572 -0.164 50 20 JBGD CN(CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncon3)C2)C1)NC(=O)NCc1ccccc1 1839054055 DUCWARUHUPKMFU-QFIPXVFZSA-N 487.517 -0.514 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnn3c1CCC3)CCO2 1839532586 NKIFFXBSXCJMRG-JOCHJYFZSA-N 469.502 -0.788 50 20 JBGD CCN(CC)C[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1839676280 GCBWZSHKVZBWPD-MBSDFSHPSA-N 461.368 -0.586 50 20 JBGD N#C/C(=C\c1ccc(F)cc1F)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=N)N)C2)C1 1839743399 NUGAPCDEKPDVFN-LFEYGZQNSA-N 462.457 -0.189 50 20 JBGD Cc1cnn([C@@H](C)C(=O)N2CCOC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)c1 1840184752 FDKPYLPQVUWVKG-UWJYYQICSA-N 450.540 -0.418 50 20 JBGD C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)NNC(=O)[C@@H]3CCS(=O)(=O)C3)cc2)C[C@@H](C)O1 9930812 IMGJMBRWUXCOIR-UMVBOHGHSA-N 459.546 -0.320 50 20 JBGD COCCCNC(=O)[C@H](C)N1CCN(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)CC1 728944545 FPLBEJBKLTXQKT-HNNXBMFYSA-N 483.595 -0.507 50 20 JBGD Cn1nc(SCC(=O)NN=C2C(=O)Nc3cc(Br)ccc32)c(=O)n(C)c1=O 812456656 NMODBXVZWDKKCF-UHFFFAOYSA-N 453.278 -0.194 50 20 JBGD N#Cc1ccccc1OCC(=O)NNC(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 916516791 RSFLNZXOKUPOOJ-UHFFFAOYSA-N 487.542 -0.186 50 20 JBGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NN/C=C2/C(=O)NC(=S)N(CCOC)C2=O)c1 920975297 CMYBRRLCRSGVIC-QINSGFPZSA-N 483.572 -0.275 50 20 JBGD COC(=O)NCC(=O)N1CCO[C@]2(CCN(C(=O)CN(C)NC(=O)NCc3ccccc3)C2)C1 1780968362 AVQXESFHARCYGN-QFIPXVFZSA-N 476.534 -0.482 50 20 JBGD NC(=O)c1ccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2ccc(B(O)O)cc2)C3)cc1 1782863596 HJAKHJDWLJOGMV-HYBUGGRVSA-N 465.315 -0.093 50 20 JBGD O=C1CN(CC(=O)NC2(c3ccc(NC(=O)c4cccc(B(O)O)c4)cc3)CCC2)C(=O)N1 1788144927 DWSSGSVCMVTGML-UHFFFAOYSA-N 450.260 -0.334 50 20 JBGD CN(CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2)C(=O)OC(C)(C)C 1795338893 RYCVXWMRTPYYIM-ZSBFGKGUSA-N 476.534 -0.245 50 20 JBGD Cn1ncc(Br)c1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795738816 GWEVRNDYIAHRFS-YWVIFJGQSA-N 477.124 -0.621 50 20 JBGD CN(CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cn[nH]c1)NC(=O)NCc1ccccc1 1796573091 AVAMBEJVRMLLLA-OPVJXMOQSA-N 455.519 -0.041 50 20 JBGD O=C(CN1CCOCC1)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1806904852 WJRCRIQFUHLODV-DENIHFKCSA-N 452.320 -0.587 50 20 JBGD CC(=O)N(C)CCC(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807369831 XFATZGAVQGZAPL-KNQAVFIVSA-N 452.320 -0.051 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)CN2CCS(=O)(=O)CC2)[C@@H]1c1cccnc1 1813070785 LWGJRGDJWNHNEU-XMSQKQJNSA-N 494.618 -0.809 50 20 JBGD NNC(=O)c1ccncc1C(=O)N[C@H]1CCc2nc(NC(=O)[C@@H]3CCNC(=O)C3)sc2C1 1826222267 NIRDSQKJXYYBRW-MNOVXSKESA-N 457.516 -0.106 50 20 JBGD Cc1cncc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)c1 1835927192 LEGXMJFRXOIBDP-XMMPIXPASA-N 467.331 -0.227 50 20 JBGD O=C(Cc1ccc(F)c(F)c1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835929404 OCDKUNGDANIGTM-QHCPKHFHSA-N 474.269 -0.043 50 20 JBGD Cc1cccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)c1 1835935694 MJKMGEODJXDBNF-XMMPIXPASA-N 452.316 -0.012 50 20 JBGD O=C(Cc1noc2ccccc12)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1835980210 JCHIQITUTIHAFE-DEOSSOPVSA-N 479.298 -0.180 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)c1cccn3ccnc13)CCO2 1836997798 OAVFCNCXNUOEMD-QHCPKHFHSA-N 464.287 -0.602 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccn3nccc3c1)CCO2 1837157721 XRLZCYANJVLMRR-HSZRJFAPSA-N 464.287 -0.602 50 20 JBGD CCOC(=O)N[C@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](Br)CC)C2)C1 1837211113 HNRVQCZKFJGJQJ-OGHNNQOOSA-N 466.329 -0.319 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc(O)n4c3CCCC4)C2)C1 1837459452 PLKYVJZWLSVZJJ-QHCPKHFHSA-N 499.528 -0.693 50 20 JBGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)n1nc(C)ccc1=O)CCO2 1837659225 VWGVCBCVKIODID-HRAATJIYSA-N 470.954 -0.003 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(Cl)ncn1)CCO2 1838255146 VXQHCXXXMLHNJW-HXUWFJFHSA-N 460.683 -0.806 50 20 JBGD Cc1nc(F)ccc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1838263408 HQKJOWIZGVQPHC-QFIPXVFZSA-N 457.267 -0.407 50 20 JBGD COCc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)c1 1838516591 LSYBZFVLOJANKL-QFIPXVFZSA-N 457.292 -0.775 50 20 JBGD Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)ccc1O 1839307419 KAIAABLGMPUUOQ-HSZRJFAPSA-N 454.288 -0.236 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc3ccnn13)CCO2 1839498706 NCZFQABGVYEGJJ-QHCPKHFHSA-N 479.497 -0.283 50 20 JBGD CC[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3nc(N)n[nH]3)C2)C1 1839965251 RXCLWKGWXINEGC-SJKOYZFVSA-N 459.345 -0.051 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4nc(CO)[nH]c4c3)C2)C1 1840184475 PFRJNIRXEUMDSV-HSZRJFAPSA-N 488.545 -0.502 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(O)c4ccn(C)c34)C2)C1 1840185127 GDQRECQBEWVMLB-QHCPKHFHSA-N 488.545 -0.278 50 20 JBGD O=C(NCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1)c1ccccc1 1840799233 PJFBYIZKEJZNCM-UTKZUKDTSA-N 453.923 -0.137 50 20 JBGD CC(=O)N[C@H](Cc1cccc(F)c1)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1840856042 CHFQDVAANOXYKO-XQBPLPMBSA-N 485.940 -0.071 50 20 JBGD C[C@@H](NC(=O)c1ccccc1)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1840901276 CWDSNTZNQYQNFN-IQGLISFBSA-N 495.341 -0.745 50 20 JBGD CC[C@@H](NC(N)=O)C(=O)N1CCCC12CN(C(=O)CN(C)NC(=O)NCc1ccccc1)C2 1843337831 APJSRXBGJACLIL-QGZVFWFLSA-N 459.551 -0.017 50 20 JBGD CS(=O)(=O)N1CCC[C@@H](NC(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)C1 920238685 IWJXHZDSQUTJSU-OAHLLOKOSA-N 473.577 -0.161 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc3n(n2)CCCNC3=O)C1 1778918470 CXSWAZCZEQTEFZ-WZONZLPQSA-N 489.577 -0.483 50 20 JBGD COc1ccc([C@@H](O)C(=O)N2CCO[C@@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)cc1 1779029172 MJEWMEQPMFKPJQ-AUSIDOKSSA-N 469.498 -0.129 50 20 JBGD CC[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCS(=O)(=O)CC1 1793838512 CNQVUMIWYVXROL-HLPPOEQASA-N 466.398 -0.520 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)Cc1ccccc1 1800634973 SROLRHVOCZSQOX-WOUAJJJCSA-N 453.499 -0.508 50 20 JBGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1csc3c1c(=O)n(C)c(=O)n3C)C2 1800976940 DOMTZPLHKYJBDW-LOUJCGABSA-N 498.989 -0.315 50 20 JBGD C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN(C)NC(=O)NCc1ccccc1)C2)n1cnnn1 1801438111 UDNCFMQULLNODT-PHXBYCTMSA-N 485.549 -0.830 50 20 JBGD O=C1C[C@H](C(=O)N2CC[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)CCN1 1807368022 PKYKOLRCDHBNEW-MMOPVJDHSA-N 450.304 -0.393 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)Cn2ccncc2=O)[C@@H]1c1cccnc1 1812345185 LSVPQDFXQHIMMI-VGSWGCGISA-N 455.519 -0.283 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)c2nccnc2C(N)=O)[C@H]1c1cccnc1 1813073172 JOGSVPDMABLCRK-YWZLYKJASA-N 468.518 -0.337 50 20 JBGD CC(C)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCS(=O)(=O)CC3)C2)C1 1830359021 UJVZVVUWSVMVKW-IBGZPJMESA-N 466.000 -0.562 50 20 JBGD O=C(C[C@H]1COc2ccccc2O1)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1831228804 LGDFJOOYLFYEDD-NBGIEHNGSA-N 496.325 -0.334 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(CN(C(=O)c3ncc(Cl)cn3)CCO2)C1 1833787666 SHEBRZBLMIBAEZ-HXUWFJFHSA-N 475.893 -0.488 50 20 JBGD C[C@](Cl)(CCl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc4n(n3)CCNC4=O)CCO2)C1 1834564224 UXQOIBQPTIBXSU-OALUTQOASA-N 474.345 -0.067 50 20 JBGD CC(C)N[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1)C(C)C 1835899672 VXPAZGCFVXHOBA-WMZHIEFXSA-N 476.578 -0.222 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1835931010 CNAQMADYDUPFNV-RHSMWYFYSA-N 459.077 -0.873 50 20 JBGD Cc1cn(CC(=O)N2CCC(OC3CCN(C(=O)[C@H](O)CCl)CC3)CC2)c(=O)nc1O 1836720469 UYXFYPOZVOWCHQ-MRXNPFEDSA-N 456.927 -0.144 50 20 JBGD O=C([C@H](O)CCl)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1ON=C(c3ccccc3)O1)CCO2 1837291554 JWGVNWKZBFZLOY-UIAACRFSSA-N 453.879 -0.223 50 20 JBGD C[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1)n1ccnc1 1837456776 QEZRZJOOKUNIOL-BTYIYWSLSA-N 457.491 -0.787 50 20 JBGD C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1)n1ccccc1=O 1837459624 UBAORDQJMGXAJK-MWTRTKDXSA-N 484.513 -0.822 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc4ccc(F)cn34)C2)C1 1837459730 MOPPDQOVUWERJO-HSZRJFAPSA-N 497.487 -0.144 50 20 JBGD CC(=O)N[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3cnccc3C(=O)NN)CC2)CC1 1838394809 ZINLYXQYUFPKPN-CQSZACIVSA-N 460.535 -0.178 50 20 JBGD Cc1c(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)cn2[nH]cnc(=O)c12 1838469007 XMZLIKBMOMWDFZ-KUHUBIRLSA-N 453.883 -0.999 50 20 JBGD O=C(CCc1cnc2[nH]ccc2c1)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1840080712 ZPTOEIDKGYBLLC-RUZDIDTESA-N 492.341 -0.055 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(F)nc3F)C2)C1 1840182394 BTYPDDBIPFKECZ-FQEVSTJZSA-N 455.462 -0.197 50 20 JBGD CC(=O)Nc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)c1 1840729380 IKIPWGZJRFUWAN-XMMPIXPASA-N 481.314 -0.291 50 20 JBGD CCn1cnc2c1c(=O)n(CC(=O)NNC(=O)CN1CCSC1=O)c(=O)n2Cc1ccccc1 10161459 KGDLZJAKEIBQQS-UHFFFAOYSA-N 485.526 -0.256 50 20 JBGD COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSCC(=O)NNC(=O)N(C)C 746012922 PKSNPYUGPVGHLZ-UHFFFAOYSA-N 489.576 -0.310 50 20 JBGD CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)c1 916558737 HCZQSIAZBLJBLK-UHFFFAOYSA-N 472.487 -0.896 50 20 JBGD C[C@H](Cn1cncn1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2 1779498382 QUGRAJPRPUOBRJ-ZWDAVXSWSA-N 455.324 -0.578 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@@]34C(=O)Nc3ccccc34)C2)C1 1783543759 YHIRMDPXLPWYJN-OWAUWMPXSA-N 475.310 -0.280 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ccc(S(C)(=O)=O)cc3)[C@H]2C1 1786701347 CMIQFXQJFFWECL-IHPCNDPISA-N 494.614 -0.015 50 20 JBGD CN(CC(=O)NC1(c2ccc(NC(=O)c3cnccc3C(=O)NN)cc2)CCC1)C(=O)C(=O)O 1789522039 ZSAYBOASAROKHV-UHFFFAOYSA-N 468.470 -0.024 50 20 JBGD COCCOCCOCCOCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21 1789949893 QCTCFSQCCRVJMI-OKYOBFRVSA-N 480.986 -0.348 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(-n3cnnc3)cc1)C2)c1ccc(B(O)O)cc1 1795734838 XSGZMZWCUPQPAL-RMFSNUHRSA-N 461.287 -0.536 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)C1=C2c3ccccc3C(=O)N2CC1 1798449462 BHUOXNGHUITLFW-FAQVEIGNSA-N 487.321 -0.160 50 20 JBGD COC[C@@H](Cl)C(=O)N1CCC2(CCCN(C(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)C2)CC1 1806900224 BFLOUJKBEYSWFB-OAHLLOKOSA-N 494.980 -0.081 50 20 JBGD CNC(=S)NCCC(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807362285 VFIIRAGTZYHJCE-FXAWDEMLSA-N 469.376 -0.435 50 20 JBGD CCNC(=S)NCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)CBr)CCO2 1830544281 TWNOUYJOJQQEOE-CXAGYDPISA-N 465.414 -0.042 50 20 JBGD Cc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)n(-c2cccc(=O)n2C)n1 1830722351 AMPFWJULBJPOJU-VGSWGCGISA-N 493.948 -0.451 50 20 JBGD CO[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830725054 DDLHOPWPMUBVJU-FAPUVCABSA-N 493.985 -0.029 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCC([C@H]2CCCCN2C(=O)Cn2ccncc2=O)CC1 1831104099 JLWUBNGCIPWIJQ-HXUWFJFHSA-N 452.320 -0.143 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1CCC(CO)CC1)CCO2 1832523944 VWUHNRWNXGPPTH-IRZJEQJZSA-N 454.568 -0.386 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4ccc(F)cc34)C2)C1 1835930472 JAHNTMUNAAJZIB-QHCPKHFHSA-N 482.277 -0.234 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CC(c4ccccc4)=NN3)C2)C1 1835931806 DBWHZKJJSKPZEF-RDGATRHJSA-N 492.341 -0.797 50 20 JBGD N#Cc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)cc1 1835934426 ZQCGLTUTSOJSDT-DEOSSOPVSA-N 463.299 -0.449 50 20 JBGD O=C(CCc1ccc2c(c1)OCO2)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835935321 ATMJSCBTVWMYOX-RUZDIDTESA-N 496.325 -0.202 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)c3nccc4nc[nH]c34)C2)C1 1835935778 QQECLIRUGIBBCB-QFIPXVFZSA-N 465.275 -0.979 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3ccccc3=O)CCO2)C1 1835994860 DRCLIYSEXQNILQ-VAHWYXDJSA-N 484.513 -0.561 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1ON=C(c3ccccc3)O1)CCO2 1837293255 SYHCPDOVDNEISE-DNQXCXABSA-N 495.297 -0.829 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837444367 ZYKYVORQYIRERD-WGBQGACBSA-N 473.534 -0.773 50 20 JBGD O=C([C@H](O)CCl)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CC(c3ccccc3)=NN1)CCO2 1839633362 DZIUGHTYPPQJSH-DBXWQHBBSA-N 450.923 -0.191 50 20 JBGD CN(CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCCO1)CCO2)NC(=O)NCc1ccccc1 1840015087 VILJLJAUJVXNRP-GBXCKJPGSA-N 489.573 -0.032 50 20 JBGD CNS(=O)(=O)c1ccc(F)c(C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)c1 787968927 LLOWYBZGGCGQFQ-MRXNPFEDSA-N 467.431 -0.122 50 20 JBGD COc1ccc(C(=O)NNC(=O)COC(=O)CN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1OC 845922804 GOGGELPBPBBTNB-LFSCOCTRSA-N 457.439 -0.185 50 20 JBGD CN(C)S(=O)(=O)c1ccc(C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)o1 914853761 BDACIOWGSVOUPM-CQSZACIVSA-N 453.429 -0.326 50 20 JBGD CS(=O)(=O)NCCNC(=O)NNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12 916295054 ZJGUVRZXKNAAHB-UHFFFAOYSA-N 458.500 -0.062 50 20 JBGD CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](F)Br)C2)C1 1781334658 NSRTUUFNEBQQCL-JKIFEVAISA-N 460.304 -0.023 50 20 JBGD C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1783817485 BRMCGWZICFWZEW-CBVHJVASSA-N 475.351 -0.127 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CCO[C@@]2(CCN(C(=O)CN3C(=O)C=CC3=O)C2)C1 1784112455 NPHJDIFLSOQOQT-LHSJRXKWSA-N 484.937 -0.127 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4n(n3)CCCC4)C[C@@H]21)c1ccc(B(O)O)cc1 1786979635 GCFGJODNMJCUJG-LRQRDZAKSA-N 452.320 -0.194 50 20 JBGD CN(C)c1cncc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)c1 1786980156 PATZHJOSXRNPOM-NDXORKPFSA-N 452.320 -0.266 50 20 JBGD NNC(=O)c1ccncc1C(=O)Nc1ccc(C2(NC(=O)CN3CC(=O)NC3=O)CCC2)cc1 1789521330 WYUVWYUIYUTQHQ-UHFFFAOYSA-N 465.470 -0.015 50 20 JBGD CCC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 1793981093 SPJFJGKOYZYTHR-FQLMCAECSA-N 480.953 -0.569 50 20 JBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1)[C@H]1CCc2nc(O)nc(O)c2C1 1796190826 PWYCAXBKXUBVFM-SJWGOKEGSA-N 466.303 -0.376 50 20 JBGD Cn1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)c(C(F)F)n1 1797750601 LSAUDQIFMCKDQA-QHBPRCKVSA-N 463.445 -0.127 50 20 JBGD COc1ccc2[nH]cc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)c3cccc(B(O)O)c3)C4)c2n1 1798483245 LGWBDKODYLUNDO-YVWYUNDQSA-N 464.287 -0.232 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COc1cccnn1 1801347536 XMESYUNBFYFLSM-IHHIPJHASA-N 455.475 -0.421 50 20 JBGD N#Cc1ccccc1OCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1801995609 BUFMMPSGTHNBMD-VPTLXERWSA-N 464.482 -0.161 50 20 JBGD O=C(NC[C@@H]1CCN(C(=O)c2cnc(O)nc2O)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807360416 ASVPDBLTEWMHTO-YJBOKZPZSA-N 463.259 -0.404 50 20 JBGD NC(=O)c1nccnc1C(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807361402 PPFUUNNXOCUXFS-OXQOHEQNSA-N 474.286 -0.716 50 20 JBGD Cc1cn(CC(=O)N2CC[C@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)c(=O)nc1O 1807363554 ABJSWZSADXBFCS-WIYYLYMNSA-N 491.313 -0.648 50 20 JBGD O=C(NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807371424 UWFQULUYIXVPGQ-DENIHFKCSA-N 473.103 -0.925 50 20 JBGD CN1CCN(CCC(=O)N2CC[C@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)CC1 1807371496 VQQTVDSEGLMNNB-ZJSXRUAMSA-N 479.390 -0.282 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1813071368 ORWBHECZKBPTEN-AVRDEDQJSA-N 467.335 -0.546 50 20 JBGD Cc1cc(C(=O)NCC(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2cccc(B(O)O)c2)CC3)no1 1819931939 PUDMNWIAPNZUJP-AWEZNQCLSA-N 483.315 -0.225 50 20 JBGD C[C@@H](C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1ccc(B(O)O)cc1)CC2)N1CCN(C)CC1 1822685646 SYGTUXIIEFMIJK-WMLDXEAASA-N 471.392 -0.315 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCc1cc(F)ccn1)CCO2 1832854709 YGWMMLIYWQMBHB-QFIPXVFZSA-N 465.526 -0.017 50 20 JBGD CC[C@H](NC(C)=O)C(=O)NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1833094668 RVEAKIITTWSRBF-NRFANRHFSA-N 458.368 -0.534 50 20 JBGD CN(CC(=O)N1CCC(N2CCC(NC(=O)CCBr)CC2)CC1)C(=O)C(=O)O 1834424398 ZHLZROMDSDLTIL-UHFFFAOYSA-N 461.357 -0.114 50 20 JBGD COc1cnc(C(=O)N2CCC(N3CCC(NC(=O)c4cnccc4C(=O)NN)CC3)CC2)cn1 1835736997 FPTORTJQBIOHHU-UHFFFAOYSA-N 482.545 -0.017 50 20 JBGD NC[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1)c1ccccc1 1835928411 OFJMMQXQEZFATN-XUZZJYLKSA-N 467.331 -0.821 50 20 JBGD CC(=O)Nc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)o1 1835930793 ZSIQCZDKYSFYNT-QFIPXVFZSA-N 471.275 -0.698 50 20 JBGD O=C(c1ccc2nccn2c1)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835937142 QGZBKAFLTGASOB-QHCPKHFHSA-N 464.287 -0.602 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)c3cc(-c4cccnc4)[nH]n3)C2)C1 1835938116 MDKURJDAABTGBO-XMMPIXPASA-N 491.313 -0.465 50 20 JBGD NC(=O)CC[C@H](N)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](F)Br)CC2)CC1 1836412872 ZOJMPHBWIOSYES-DZGCQCFKSA-N 450.353 -0.159 50 20 JBGD CCn1nccc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837456476 IMBFWUSVVNRNIB-OAQYLSRUSA-N 457.491 -0.715 50 20 JBGD C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1)c1ccccn1 1837460492 GVFYNXPFBGJLLZ-HJPURHCSSA-N 468.514 -0.046 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cn(C(C)(C)C)nn1)CCO2 1838760543 ZAHHQUPDLJNJDB-NRFANRHFSA-N 465.555 -0.524 50 20 JBGD Cc1cn(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)Br)CCO3)c(=O)nc1O 1840036100 FGAZPCGLLBJWDE-UGSOOPFHSA-N 473.324 -0.503 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCc3ccccc3O1)CCO2 1840136940 PIPDWNRFTSVJRT-DHLKQENFSA-N 480.326 -0.170 50 20 JBGD COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840185038 KARVGVLHSVAYGB-IXFSTUDKSA-N 480.562 -0.429 50 20 JBGD O=C(CCc1cccc(O)c1)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1840265818 AXRLTYLVYYNKTN-XMMPIXPASA-N 468.315 -0.225 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)COc1ccccc1C#N)CCO2 1840820144 AXHVUYVYRMQDSP-QHCPKHFHSA-N 473.530 -0.234 50 20 JBGD C[C@@H](CN)C(=O)N1CC2(CCCN2C(=O)[C@H](Cc2ccc(B(O)O)cc2)NC(=O)OC(C)(C)C)C1 1843428812 RRHDMBFFWIGIFL-LPHOPBHVSA-N 488.394 -0.400 50 20 JBGD Cc1ccc(S(=O)(=O)NCc2ccco2)cc1C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 729275137 LVRZGCVPIRUJGO-LBPRGKRZSA-N 458.518 -0.235 50 20 JBGD COc1ccc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)cc1OC 906473387 LXVLEUAUJXQYJR-UHFFFAOYSA-N 462.484 -0.101 50 20 JBGD COC(=O)c1cc(S(=O)(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)ccc1Br 918151289 OOTSJYRXTDSZAN-MRVPVSSYSA-N 455.308 -0.020 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2nc3ncccn3n2)C1 1778586501 KQAVALJPXQAUTD-OPAMFIHVSA-N 479.501 -0.436 50 20 JBGD CN(CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1nc[nH]n1)CCO2)NC(=O)NCc1ccccc1 1780970005 QDARWAQGJPFUQX-OAQYLSRUSA-N 456.507 -0.406 50 20 JBGD Cc1cc(C(=O)N2CCO[C@@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)n(-c2cccc(=O)n2C)n1 1783933846 IVVAGOZIMOYHOA-XMMPIXPASA-N 499.572 -0.304 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](F)Br)C[C@@H]21 1788610347 XZTCOJKKPZKMBC-NZPIUUIZSA-N 458.288 -0.031 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)[C@H](O)Cc1ccccc1 1790955249 QFSQAVSJAVCBPG-UVUJQTEASA-N 452.316 -0.437 50 20 JBGD Cc1nnc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CN(C)NC(=O)NCc2ccccc2)C3)o1 1795789914 SXVLPCLWCYYYPH-OPMZPASUSA-N 485.545 -0.144 50 20 JBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CC(=O)N(C3CCCC3)C1)C2 1797748701 VMYBJHCWVRUTLQ-CMBDLQSPSA-N 484.557 -0.321 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cn2c(F)cccc2n1 1799998945 DWOZBJDWFGYTPB-DBWKPXFBSA-N 467.461 -0.011 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@@H](CNC(=O)CN2CC(=O)NC2=O)[C@H]1c1cccnc1 1804187353 ONDBEYKTLQJJGK-CGUIXBEDSA-N 494.512 -0.227 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@@H](CNC(=O)Cn2cnnn2)[C@H]1c1cccnc1 1807607442 FKMVSABJNAHKFY-AMZMXHDESA-N 464.490 -0.092 50 20 JBGD C[C@H](C(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1)N1CCN(C)CC1 1807864829 ZLODILOEBRNUQZ-RZFNWQHOSA-N 479.390 -0.283 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1CCc2nc(NC(=O)[C@H](O)N3CCOCC3)sc2C1 1819883371 AHMXXWJTYISENC-NFBAMKOZSA-N 489.558 -0.160 50 20 JBGD CC(=O)N1CCN(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1828491372 LCDYIXKJTXMMMG-QHCPKHFHSA-N 484.406 -0.236 50 20 JBGD Nc1c(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)sc2nccnc12 1835874149 RDRUIAMPYRUKRO-VOJFVSQTSA-N 455.924 -0.057 50 20 JBGD Cn1nc(C(F)(F)F)cc1C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835930936 ANYYNXKPORXXJJ-FQEVSTJZSA-N 496.251 -0.498 50 20 JBGD O=C(Cc1cc(F)cc(F)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835935340 BJIVETAQZYLNOV-HSZRJFAPSA-N 474.269 -0.043 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)c3cnn4cccc(F)c34)C2)C1 1835939294 LCDDGPCVWFXOJN-HSZRJFAPSA-N 482.277 -0.463 50 20 JBGD O=C(c1ccc(O)c(F)c1)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835939413 PRHIYMVTHRVAPU-QFIPXVFZSA-N 458.251 -0.405 50 20 JBGD C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1)N1C[C@H]2C[C@@H]2C1 1837459423 OTFBCRUTFGYPDL-DCZWBIAUSA-N 472.546 -0.905 50 20 JBGD COCCOCCOCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](Cl)COC)CCO2 1840156453 SJTNJXWRUSPOSW-PXNSSMCTSA-N 466.959 -0.234 50 20 JBGD Cn1c(=O)c2c(ncn2CCC(=O)NNc2ccc(S(=O)(=O)NC3CC3)cc2)n(C)c1=O 728210894 ZLLAJJOEVFNBPL-UHFFFAOYSA-N 461.504 -0.592 50 20 JBGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C 862100126 DWFYSBGJSJZDMK-UHFFFAOYSA-N 459.488 -0.691 50 20 JBGD O=C1Nc2c(cccc2C(=O)N2CC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)C1=O 1778709619 JKSXPQNVMQLFTF-HSZRJFAPSA-N 463.255 -0.742 50 20 JBGD CC(=O)N/C(=C\c1ccco1)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779037276 UUSFUHSCQFWBNY-CGXXIYPPSA-N 482.497 -0.101 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(CN(C(=O)/C=C/C(=O)NCc3ccco3)CCO2)C1 1783936287 SXQLAUTZROPAOQ-HVPBSWBLSA-N 461.519 -0.345 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3ccccc3=O)[C@H]2C1 1787015253 FRMBKAATOXBGTB-WBAXXEDZSA-N 454.487 -0.860 50 20 JBGD Cc1cnc2c(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)c5cnccc5C(=O)NN)[C@H]4C3)cnn2c1 1788611379 XKDWXHKNIWHTSR-JVPBZIDWSA-N 478.513 -0.057 50 20 JBGD CN(C)CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN(C)NC(=O)NCc3ccccc3)[C@H]2C1 1789726600 CTSPVKOIDKRMFX-UFYCRDLUSA-N 460.579 -0.126 50 20 JBGD COC(OC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN(C)NC(=O)NCc1ccccc1)C2 1793170087 KSRFEAUMBGCACO-IZZQQSIFSA-N 463.535 -0.459 50 20 JBGD CN(CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc[nH]1)NC(=O)NCc1ccccc1 1794714519 RZFKLDRMAPGCPL-XEMDLRDOSA-N 455.519 -0.041 50 20 JBGD CC(C)NC(=O)OC(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795735308 XUAHUVAVHGYHSY-ALXJQNPVSA-N 461.324 -0.517 50 20 JBGD CS(=O)(=O)c1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)c1 1797748406 VTPQGRSEHNBVHM-CCWDJLKJSA-N 487.538 -0.394 50 20 JBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(-n3cccn3)nc1)C2 1797751715 QKNXSEOOORPVTN-CWPLJXCYSA-N 476.497 -0.217 50 20 JBGD C[C@H](NC=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN(C)NC(=O)NCc1ccccc1)C2 1799289701 XLRNLKZHIPRYEU-BOLBYERCSA-N 460.535 -0.943 50 20 JBGD CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(B(O)O)c1)C2 1800166943 NLGLZZDBFAIPNT-FCGDIQPGSA-N 475.351 -0.106 50 20 JBGD O=C(NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1)c1cc(O)nc(O)n1 1808294838 CGOYWIWNVZEKFR-KXBFYZLASA-N 463.259 -0.404 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)CS(=O)(=O)N2CCCC2)[C@@H]1c1cccnc1 1813071249 QJBQPKUAFAYOGE-PGRDOPGGSA-N 494.618 -0.114 50 20 JBGD O=C(CNC(=O)C(F)(F)F)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1813096253 AJZBJTQZJJXZGI-MAUKXSAKSA-N 478.236 -0.241 50 20 JBGD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2cc(=O)n3[nH]cnc3n2)[nH]n1)c1ccc(B(O)O)cc1 1817471285 KQRTXZYQZWDWIE-MRXNPFEDSA-N 476.262 -0.560 50 20 JBGD NNC(=O)c1ccncc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CNC2=O)[nH]n1 1819401560 HYJXJOPZWLQCRM-CQSZACIVSA-N 469.462 -0.734 50 20 JBGD NNC(=O)c1ccncc1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc3n(n1)CCNC3=O)CC2 1819796017 XVSRNIFLIRUNHP-SNVBAGLBSA-N 495.525 -0.379 50 20 JBGD CS(=O)(=O)c1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)cc1F 1830738397 OUPOHWWWXKNQJO-HNAYVOBHSA-N 478.926 -0.101 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3ccc(C)n3)CCO2)C1 1833089469 SONKWPQLAOPXQU-ZRZWOPFXSA-N 471.518 -0.218 50 20 JBGD O=C(Cn1ccccc1=O)NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1834822951 LQEYCGALAKPDLE-UHFFFAOYSA-N 466.347 -0.587 50 20 JBGD Cn1cc(CC(=O)N2CCC(N3CCC(NC(=O)c4cnccc4C(=O)NN)CC3)CC2)cn1 1835737366 MDKUXBNHTBBGMC-UHFFFAOYSA-N 468.562 -0.154 50 20 JBGD Cc1nc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)c(C)s1 1835927195 LLPMSFRKHCDIAC-JOCHJYFZSA-N 473.360 -0.248 50 20 JBGD CC(C)(C)n1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)n1 1835927546 SHFLUKPTJWQIDC-QHCPKHFHSA-N 470.335 -0.298 50 20 JBGD CN(C)C(=O)c1cccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)c1 1835933654 FTWSJZSQXMLAGJ-RUZDIDTESA-N 495.341 -0.548 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(c3)CNC4=O)C2)C1 1837458856 FPYLRMCPBMSCSM-DEOSSOPVSA-N 494.508 -0.688 50 20 JBGD Cc1cc(C(=O)NCC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](F)Br)C3)C2)no1 1837549403 UTZZTEZGCMESKF-RHSMWYFYSA-N 477.287 -0.140 50 20 JBGD C[C@@H](C(=O)N1CCC(OC2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1)n1cncn1 1837920981 OUXDCIJSDBLFTJ-INIZCTEOSA-N 455.324 -0.169 50 20 JBGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)CS(C)(=O)=O)C2)C1 1840030640 RBTJRQCPJHSWBD-XEZPLFJOSA-N 455.371 -0.093 50 20 JBGD C[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4c3CS(=O)(=O)C4)C2)C1 1840032338 VQFWZTLRIMKFJA-DIFFPNOSSA-N 491.364 -0.309 50 20 JBGD CC(=O)OC[C@H](OC(C)=O)C(=O)N1CCOC[C@]2(CN(C(=O)C(Cl)Cl)CCO2)C1 1840188708 XSOKVZLTPWQRSE-SUMWQHHRSA-N 455.291 -0.259 50 20 JBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)CNC2=NS(=O)(=O)c3ccccc32)cc1 17406032 AQJGUSFUTUVINK-UHFFFAOYSA-N 479.540 -0.498 50 20 JBGD COC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3CCN(S(C)(=O)=O)CC3)[C@H]2C1 1788111277 PEPLHOLMEJDGBP-QAETUUGQSA-N 466.000 -0.109 50 20 JBGD CN(C)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1794470564 MWHZUOSHPMNLRM-HBCWATKFSA-N 453.503 -0.337 50 20 JBGD COC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795734536 RSBJBKOWNWZJRV-UKBAYJJMSA-N 491.350 -0.891 50 20 JBGD C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN(C)NC(=O)NCc1ccccc1 1799094832 BFGWIKQGIJBSQU-RQWRPHEBSA-N 498.584 -0.219 50 20 JBGD COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1800955785 SJKGPTOELCVCAF-QHNLCMDKSA-N 471.514 -0.356 50 20 JBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN(C)C(=O)OC(C)(C)C)C2 1801013433 WHVOPIWYUPSNTH-CCWDJLKJSA-N 455.556 -0.184 50 20 JBGD COC(=O)c1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)cc1 1801141976 REFBSCAMHHLWGJ-UPHUGPLXSA-N 481.509 -0.082 50 20 JBGD C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1802128138 YYNDUFIDDGKUNT-HNJRGHQBSA-N 485.346 -0.514 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H](CNC(=O)[C@@H]2CCC(=O)NC2)[C@@H]1c1cccnc1 1802607950 DYOKQIGZIKBPMW-QINHECLXSA-N 465.514 -0.074 50 20 JBGD CN(C)C(=O)NCC(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1802677563 QQFUOGWEVNDYGI-XLIONFOSSA-N 453.308 -0.648 50 20 JBGD C=CC(=O)N[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1810526697 KFGMLXKZPDJSJT-FPDPHYFHSA-N 450.304 -0.228 50 20 JBGD O=C(N[C@H]1CCc2nc(NC(=O)c3cnncc3C(=O)O)sc2C1)c1cccc(B(O)O)c1 1820494002 NQACYFGBKHEFGR-LBPRGKRZSA-N 467.272 -0.149 50 20 JBGD O=C(CCN1C(=O)Cc2ccccc2C1=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830719902 OAPXJLFCKXTCPB-MBSDFSHPSA-N 493.944 -0.342 50 20 JBGD O=C1CCc2ccc(C(=O)N3CCOC[C@]4(C3)CN(C(=O)[C@@H](O)CCl)CCO4)nc2N1 1830723883 SPSJFYIPQSLJKB-YWZLYKJASA-N 452.895 -0.364 50 20 JBGD C[C@H](C(=O)N1CCC(N2CCC(NC(=O)[C@H](O)CCl)CC2)CC1)[C@@H]1SC(=N)NC1=O 1833310808 TXWSNBNSUPURKZ-GLQYFDAESA-N 460.000 -0.040 50 20 JBGD C[C@@](Cl)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835931079 FGYCFMSPZRBYEZ-RTBURBONSA-N 459.135 -0.327 50 20 JBGD O=C(CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2)Nc1ccc(F)cc1 1835931192 IBTCVKZDRGNBHZ-XMMPIXPASA-N 499.304 -0.396 50 20 JBGD CCOC(=O)c1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)cc1 1839443798 FMYROSRCMHPBSU-RUZDIDTESA-N 496.325 -0.073 50 20 JBGD CC[C@@H](Cl)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](Cc1cnc[nH]1)NC(C)=O)CCO2 1840371542 PNMSJLZXHQWXGA-HLIPFELVSA-N 455.943 -0.069 50 20 JBGD CC(C)(C)OC(=O)NCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1840801529 BQBGPYNJNMDMOF-HSZRJFAPSA-N 491.350 -0.649 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)C2 1844265143 YIWGMOZXNHEZIC-UHFFFAOYSA-N 455.431 -0.728 50 20 JBGD CC(C)(C)OC(=O)N[C@@]1(C(=O)N2CCCC23CN(C(=O)c2ccc(B(O)O)cc2)C3)CCOC1 1845207598 FAMATNZRVJOYBR-QHCPKHFHSA-N 473.335 -0.133 50 20 JBGD C[C@H](NS(=O)(=O)c1cccs1)C(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1 914854479 JNPXNBIHZOEKFO-SMDDNHRTSA-N 469.497 -0.055 50 20 JBGD CN(CC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)S(=O)(=O)c1cccnc1 915128554 GBVFJXYZGNGZFE-UHFFFAOYSA-N 481.556 -0.052 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)CNC(=O)c3ccco3)CCO2)C1 1779030715 GTNVWAYZOLPSDL-NRFANRHFSA-N 456.459 -0.848 50 20 JBGD COC(=O)c1ccc(CC(=O)N2CC[C@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)cc1 1784155637 FWEMLQVXUCJSLX-DEOSSOPVSA-N 466.299 -0.161 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCNC(=O)C3)C[C@@H]21 1787508517 ZRQRMESQPIRWBR-MMGYIDLSSA-N 458.519 -0.374 50 20 JBGD C[C@H](NC(=O)c1ccccn1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1790585392 CWSUGKSFSCOROI-HRDWYUFVSA-N 480.330 -0.827 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1nnc2ccccc21 1793713504 YFZYCRJTXLHCTQ-VTEUUUEMSA-N 464.486 -0.667 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCNC(=O)c1ccc[nH]1 1794035438 NUIWGLJQMSOCKI-HBCWATKFSA-N 469.502 -0.964 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc3ccc(F)cn13)C2)c1cccc(B(O)O)c1 1795740667 JVWKBKIIQLUJFR-YVWYUNDQSA-N 452.251 -0.330 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cn2cc(F)ccc2n1 1797429562 VRTDGLPKILZPEX-DBWKPXFBSA-N 467.461 -0.011 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1cc(Cl)c2nncn2c1 1797690462 DJFYNPWRZHZIRG-JLVBRIDZSA-N 469.694 -0.421 50 20 JBGD C[C@@H](NC(=O)c1ccc(F)cc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1799048516 KJNVJKANSODWNK-WMIGDMCZSA-N 483.305 -0.473 50 20 JBGD COCCOCCOCCOCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2 1799383713 FOQVNHXZDWDSCY-ZMMAXQRCSA-N 466.959 -0.738 50 20 JBGD O=C(CN1CCOCC1)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1806904859 WJRCRIQFUHLODV-UGKGYDQZSA-N 452.320 -0.587 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H](CNC(=O)Cn2cnnn2)[C@@H]1c1cccnc1 1807607455 FKMVSABJNAHKFY-RBIZEYAUSA-N 464.490 -0.092 50 20 JBGD NNC(=O)c1ccncc1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@H](O)N1CCOCC1)CC2 1819797897 NZQIQDBQYVQYEP-WYRIXSBYSA-N 475.531 -0.982 50 20 JBGD O=C(CN1C(=O)CNC1=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827050308 MEMJAAOSWUNDTJ-GOSISDBHSA-N 456.308 -0.849 50 20 JBGD CN(CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1)C(=O)c1ccccc1 1831145743 TXSWXQIXSSEMQK-RUZDIDTESA-N 495.341 -0.791 50 20 JBGD O=C(C[C@@H]1NC(=O)NC1=O)NC1CCN(C2CCN(C(=O)CCBr)CC2)CC1 1833761080 KJVJFCKALGJUDC-AWEZNQCLSA-N 458.357 -0.059 50 20 JBGD Cc1cnn(CC(=O)N2CCC(N3CCC(NC(=O)c4ccc(B(O)O)cc4)CC3)CC2)c1 1834797911 KYHXTKQFHJUQCX-UHFFFAOYSA-N 453.352 -0.243 50 20 JBGD O=C(CC(F)(F)C(=O)O)NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1835073195 JKCJTNHKKGBDPA-UHFFFAOYSA-N 467.278 -0.338 50 20 JBGD O=C(CCc1ccc(F)nc1)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835935406 RCYSNOAVOHZGEE-QHCPKHFHSA-N 471.294 -0.397 50 20 JBGD COCc1c[nH]c(C(=O)N2CCOC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)c1 1835938090 KFYPLZQCEZVPIK-QFIPXVFZSA-N 457.292 -0.775 50 20 JBGD C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1)c1ccccn1 1835939647 CMJPGCDBKUMJLB-SBUREZEXSA-N 453.304 -0.365 50 20 JBGD O=C([C@H](O)CCl)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CN(Cc3ccccc3)CCO1)CCO2 1836684753 JULBGBUCYDCSQC-TXTKFYIRSA-N 481.977 -0.057 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1ON=C(c3ccccc3)O1)CCO2 1837297679 YFEGJKFUOGXGGY-PKTZIBPZSA-N 489.529 -0.450 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3ncccc3F)C2)C1 1837459422 OODWFGHKRGCWBY-OAQYLSRUSA-N 458.450 -0.397 50 20 JBGD COc1ccc(C(=O)N2CCC[C@H]2C(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)c(OC)c1 919886086 PRVJHTAQBZJVJR-DOMZBBRYSA-N 454.505 -0.174 50 20 JBGD Cn1c(=O)n(CC(=O)N2CC[C@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)c2ccccc21 1778166092 CUYGRXJYKDGYJI-DEOSSOPVSA-N 493.524 -0.518 50 20 JBGD COC(=O)CSCC(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779029709 XMPRXZDPWTWNAF-IBGZPJMESA-N 451.505 -0.965 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)c3ccc4c(c3)CC(=O)N4)CCO2)C1 1779031768 FSUDVCZULUSPPZ-HSZRJFAPSA-N 464.482 -0.063 50 20 JBGD C[Si](C)(C)OCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H]1CSCN1C(=O)[C@@H]1CCC(=O)N1)CCO2 1779298149 AUVRVDFFRWGHQS-GCKMJXCFSA-N 498.678 -0.152 50 20 JBGD O=C(Cc1ccc(O)cn1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2 1782629853 ZWOZSLVXIQVYJR-NFBKMPQASA-N 453.304 -0.163 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@@]2(CCN(C(=O)Cn3ccncc3=O)C2)C1 1782660850 OQNPVYVYQJITIS-MNQDVBFDSA-N 455.475 -0.793 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)c3cnc4c(c3)CCNCC4)C2)C1 1782729854 VBASFZBAXLYWOJ-XMMPIXPASA-N 464.331 -0.793 50 20 JBGD Cc1nccn1CCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1791569196 WYVNOKPFBPDRJX-JBACZVJFSA-N 454.336 -0.055 50 20 JBGD CC(=O)Nc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)cc1 1801783411 VJIQILKOONMHQR-RMFSNUHRSA-N 451.288 -0.158 50 20 JBGD O=C(CCN1C(=O)C=CC1=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1803916410 NOOJKZIXFXDRAZ-WZONZLPQSA-N 476.298 -0.604 50 20 JBGD O=C(NC[C@@H]1CCN(C(=O)[C@@H]2CCCS2(=O)=O)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807365097 IPKDBPCBDPJSHA-YSIASYRMSA-N 471.344 -0.342 50 20 JBGD Cc1cn(CC(=O)N2CC[C@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)c(=O)nc1O 1807373330 BLZYILPZWVGNJT-WIYYLYMNSA-N 491.313 -0.648 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807374448 KTHCTZMBCVMQBE-XMSQKQJNSA-N 467.335 -0.546 50 20 JBGD O=C(N[C@@H]1CCc2nc(NC(=O)c3nc[nH]c3[N+](=O)[O-])sc2C1)c1ccc(B(O)O)cc1 1817200363 ZCZLANMYVQARMM-LLVKDONJSA-N 456.249 -0.006 50 20 JBGD O=C(Cn1cnnn1)N1CC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCN2C(=O)OCc1ccccc1 1828551309 MJBCLYOFYDZMPW-UWJYYQICSA-N 491.936 -0.275 50 20 JBGD C[C@@H](CS(C)(=O)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1 1831461723 ZXXWQIWJVJCXLA-MAUKXSAKSA-N 450.630 -0.025 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)C=CC2=O)CC1 1831984757 PVHCAWQLKLFMMO-LJQANCHMSA-N 453.304 -0.475 50 20 JBGD CC(=O)N(C)CCC(=O)N1CCO[C@]2(COCCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C2)C1 1832290580 HLHFRSOZJFUBPK-ZHNJOBQTSA-N 476.534 -0.555 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ncnn1C)CCO2 1833841054 IKWYEGBFFVTIHL-LSCMLXDISA-N 458.479 -0.981 50 20 JBGD CCc1oncc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1834519094 CKFINAGJWDATPQ-NRFANRHFSA-N 458.475 -0.381 50 20 JBGD O=C(Cc1ccccc1F)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1835002769 GRGNMZROCDHTDF-QHCPKHFHSA-N 456.279 -0.182 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)c3nc4ccccc4o3)C2)C1 1835931747 APWRYAIDWGIFAJ-QHCPKHFHSA-N 465.271 -0.109 50 20 JBGD O=C(Cc1c(F)cccc1F)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835939668 XHOYIKKXVBVEJC-QHCPKHFHSA-N 474.269 -0.043 50 20 JBGD CC[C@H](Br)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](COC)NC(C)=O)CCO2 1837735846 BAISKDOZILWWKX-RLFYNMQTSA-N 464.357 -0.233 50 20 JBGD CC[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](COC)NC(C)=O)C2)C1 1839964793 CRNHNPGFLASAPJ-DAYGRLMNSA-N 464.357 -0.233 50 20 JBGD CN(CC(=O)N1CC2(CCCN2C(=O)CN2CCNC2=N)C1)NC(=O)NCc1ccccc1 1842909797 PLMMPABLXJDJBG-UHFFFAOYSA-N 456.551 -0.624 50 20 JBGD CC(C)[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)NNC(=O)C(=O)NC1CC1 9889471 QTWROATVJCZENF-MRXNPFEDSA-N 454.505 -0.423 50 20 JBGD CCn1cnc2c1c(=O)n(CC(=O)NNC(=O)c1cc(C)n(C)n1)c(=O)n2Cc1ccccc1 918016121 DVXMNIQSOCKITC-UHFFFAOYSA-N 464.486 -0.069 50 20 JBGD CNC(=O)CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CN(C)NC(=O)NCc2ccccc2)C1 1780558962 OEHFBIAXIIZUSQ-NTKDMRAZSA-N 488.589 -0.017 50 20 JBGD CN(CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](F)Br)C2)C(=O)C(=O)O 1781543712 XVPCDLOCUZOSAU-RSAASHCRSA-N 452.277 -0.266 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cnc3c(c1)CCNCC3)CCO2 1783936404 GZVQBUANAYZHJV-HSZRJFAPSA-N 458.563 -0.414 50 20 JBGD Cn1c(=O)c2c(ncn2CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C(C)(C)CCl)C[C@@H]32)n(C)c1=O 1785190398 IHOUZYNZPWWGBW-KKUMJFAQSA-N 494.980 -0.322 50 20 JBGD CC(C)(C)OC(=O)NCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786983005 GAWWQRAAKUZGBX-SZMVWBNQSA-N 461.324 -0.516 50 20 JBGD O=C1CC[C@@H](C(=O)N2CSC[C@@H]2C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](F)Cl)C[C@@H]32)N1 1790696042 NJANPGQMJJPAMO-SFYOKDCNSA-N 476.958 -0.319 50 20 JBGD CC(=O)N1CCC(N2CCC(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)[C@@H](O)CCl)CC2)CC1 1792981887 YJUYPVGIOFEXEG-YHELAOLJSA-N 485.025 -0.101 50 20 JBGD CC(C)(C)OC(=O)N1[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)C[C@H]2C[C@H]21 1792996823 RRTVUFNHTGXOCZ-VRNFHHEUSA-N 499.373 -0.033 50 20 JBGD CC(C)(C)OC(=O)N[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1)C1CC1 1795738969 NYUUOYTXDZBUIT-HNJRGHQBSA-N 487.362 -0.127 50 20 JBGD CC(=O)N(C)[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807373870 CXXKFKCRVXKVEN-MFMILTCTSA-N 452.320 -0.052 50 20 JBGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1)c1nc2ncccn2n1 1809231548 MZLBATRNQDYHSV-PKOBYXMFSA-N 471.286 -0.168 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCC2(CCCN(C(=O)CC[C@H](N)C(N)=O)C2)CC1 1809821760 IFPPMSSILNXZNM-WBILBPDKSA-N 459.551 -0.056 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCC([C@H]2CCCCN2C(=O)CNCP(=O)(O)O)CC1 1826803300 WXVGTRJLBNYBTC-GOSISDBHSA-N 467.268 -0.676 50 20 JBGD O=C(Cc1cccc([N+](=O)[O-])c1)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1829622072 KBMMBPJDSPQFRT-QHCPKHFHSA-N 483.286 -0.413 50 20 JBGD COC(=O)NCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](CCl)NC(=O)OC(C)(C)C)CCO2 1832551795 RQAORRJDCCGYAH-XOBRGWDASA-N 492.957 -0.069 50 20 JBGD COc1nn(C)cc1C(=O)N1CCO[C@@]2(COCCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C2)C1 1833863152 NHWSOYFWAUVXLY-VCOZGABYSA-N 487.517 -0.367 50 20 JBGD C[C@@H](Nc1cnccn1)C(=O)N1CCC(N2CCC(NC(=O)c3cccc(B(O)O)c3)CC2)CC1 1834801291 WUMODWWVPHJOJY-QGZVFWFLSA-N 480.378 -0.158 50 20 JBGD Cc1nnc(CC(=O)N2CCO[C@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)s1 1836084054 BAEMQAHYLMDFQH-IBGZPJMESA-N 454.553 -0.782 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccnc3S)C2)C1 1837456967 UOMJORCLLPMQGU-OAQYLSRUSA-N 472.527 -0.247 50 20 JBGD CC(=O)OC[C@H](OC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1837502982 OKJZQYJJXOQADY-SUMWQHHRSA-N 455.291 -0.259 50 20 JBGD C[C@H](CS(C)(=O)=O)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839199700 ZMYRMMWJIJXWBH-XUJVJEKNSA-N 459.334 -0.186 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)c1nc3ccccc3o1)CCO2 1839500830 ALBBNJZJAWASGB-QHCPKHFHSA-N 465.271 -0.109 50 20 JBGD C[C@@H](Oc1ccccn1)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840185281 NIKMJUBJDGOQGG-VGOFRKELSA-N 463.535 -0.322 50 20 JBGD CN(CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCOC1)CCO2)NC(=O)NCc1ccccc1 1840537884 PGZBCKLINJFQLN-YKSBVNFPSA-N 489.573 -0.175 50 20 JBGD CN(C)C(=O)c1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)c1 1840788262 DTNYETOEDULLRW-RUZDIDTESA-N 495.341 -0.548 50 20 JBGD CCN(CC)S(=O)(=O)N1CCN(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)CC1 22422942 UVZHSQTZQMPYNX-UHFFFAOYSA-N 451.513 -0.779 50 20 JBGD COCCNS(=O)(=O)c1ccc(Br)c(C(=O)NNC(=O)C(=O)N2CCCC2)c1 748247486 QCWUVKYVOBBDOV-UHFFFAOYSA-N 477.337 -0.243 50 20 JBGD CN(CC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)[C@@H]1CCS(=O)(=O)C1 914531762 BSHDXFGMLORRPC-OAHLLOKOSA-N 458.562 -0.649 50 20 JBGD Cc1cc2nnc(C(=O)N3CC[C@@]4(CN(C(=O)c5ccc(B(O)O)cc5)CCO4)C3)c(C)n2n1 1777781466 WCGAEIGPHDYUMY-QFIPXVFZSA-N 464.291 -0.822 50 20 JBGD NC[C@H](C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1)c1ccccc1 1779031773 XRWOSDGINHZGHJ-FDDCHVKYSA-N 452.515 -0.129 50 20 JBGD COCCOCC(=O)N1CCO[C@]2(CCN(C(=O)CN(C)NC(=O)NCc3ccccc3)C2)C1 1780968753 DWWSJSKXDFZHRK-QHCPKHFHSA-N 477.562 -0.175 50 20 JBGD O=C(O)CSCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2 1782222396 RGXBYTBXXPFCNW-OXQOHEQNSA-N 450.322 -0.688 50 20 JBGD Cc1cc(C)n(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cnccc4C(=O)NN)C[C@@H]32)n1 1785339079 PDIZIKXENJHSAW-SNRMKQJTSA-N 455.519 -0.208 50 20 JBGD CS(=O)(=O)N1CCC(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H](O)CCl)C[C@@H]32)CC1 1788109499 MQLBSQKQJLOASA-JONQDZQNSA-N 451.973 -0.763 50 20 JBGD CC(=O)N1CCN(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CO[Si](C)(C)C)[C@H]3C2)CC1 1788764993 ZLTFEIQRCRYUOJ-FHWLQOOXSA-N 454.644 -0.018 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccn(C)c1=O 1793548438 GWXAQSIZDUXAON-FJABVQHVSA-N 454.487 -0.278 50 20 JBGD Cc1nn2cc(CC(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)c3cnccc3C(=O)NN)C4)nc2s1 1793662974 FYBUQWUHQQHDEN-IVWMJMPLSA-N 484.542 -0.456 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc([N+](=O)[O-])cc1F)C2)c1ccc(B(O)O)cc1 1795736325 ZGHSDFVDVVFWAC-HBCWATKFSA-N 457.223 -0.069 50 20 JBGD CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795736730 HFFANAYFZHHRQL-HNJRGHQBSA-N 487.362 -0.031 50 20 JBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccn(C(F)F)c1=O 1797994326 CTZNVNWFMPXPJK-FVCICTRLSA-N 455.462 -0.180 50 20 JBGD O=C1NCCn2nc(C(=O)N3CCCC4(CCN(C(=O)c5cccc(B(O)O)c5)CC4)C3)cc21 1808819443 VVQYAHSGUYLZCJ-UHFFFAOYSA-N 465.319 -0.535 50 20 JBGD O=C(Cn1cccc([N+](=O)[O-])c1=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1824718404 FGPPYNVLTRXBON-AWEZNQCLSA-N 497.298 -0.181 50 20 JBGD O=C(CCN1C(=O)Cc2ccccc2C1=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830719903 OAPXJLFCKXTCPB-WZONZLPQSA-N 493.944 -0.342 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCC(N2CCC(NC(=O)c3ccnnc3)CC2)CC1 1834141999 KHCNVDNRYQBPAA-UHFFFAOYSA-N 452.519 -0.026 50 20 JBGD COC(=O)CSCC(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834797790 GMBKBZUTHJFEGH-UHFFFAOYSA-N 477.392 -0.542 50 20 JBGD Cc1nc(C(=O)N2CCC(N3CCC(NC(=O)c4cccc(B(O)O)c4)CC3)CC2)c(=O)[nH]c1C 1834800080 UBXGZXACVYOSIX-UHFFFAOYSA-N 481.362 -0.434 50 20 JBGD O=C(CCBr)N1CCO[C@]2(COCCN(C(=O)COc3ccc(O)nn3)C2)C1 1834825217 UCHNPGFKHFDQRV-QGZVFWFLSA-N 459.297 -0.198 50 20 JBGD CC(C)N1CCC(C(=O)N2CCOC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)CC1 1835934265 RXDAFRJBCIZWOX-XMMPIXPASA-N 473.379 -0.443 50 20 JBGD CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCOC[C@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1 1837717672 LRSQVIYXMJKBFW-NQIIRXRSSA-N 481.626 -0.235 50 20 JBGD O=C(c1cc(=O)nc2sccn12)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1838414149 CNAMGULIJOYTKD-FZKQIMNGSA-N 456.908 -0.574 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1[nH]cc3c1CCC3)CCO2 1838453830 RPZOTYAEUXLPQM-HSZRJFAPSA-N 468.514 -0.114 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(CN(C(=O)C[C@@](C)(O)CC(=O)O)CCO2)C1 1840179253 ILQLDJQAJZWUFT-ABEUIXMBSA-N 493.517 -0.807 50 20 JBGD CCn1c(=O)c2ccccc2n(CC(=O)OCC(=O)NNC(=O)Cc2nc(C)cs2)c1=O 762597352 GCHGCTKISRKAJY-UHFFFAOYSA-N 459.484 -0.119 50 20 JBGD O=C(COC(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1)NNC(=O)[C@@H]1COc2ccccc2O1 914817735 QCUVMXFXSLALPO-INIZCTEOSA-N 495.466 -0.555 50 20 JBGD O=C(c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1)N1CC[C@H](B(O)O)C1 1329293391 QQADKTOMXBDEBY-HNNXBMFYSA-N 453.326 -0.767 50 20 JBGD COCCn1nccc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2 1778232459 SXWBIBFBZSQMFH-NFBKMPQASA-N 470.335 -0.349 50 20 JBGD COCCn1nccc1C(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779030054 FUNNTRWZLHIRII-NRFANRHFSA-N 457.491 -0.715 50 20 JBGD CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CC[C@@]2(CN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)CCO2)C1 1779070168 IOMRSLWLPDEUOS-SEXXXUADSA-N 491.501 -0.555 50 20 JBGD COCCOCCOCCOCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1783679077 FFVVPQZNHGECQT-QFBILLFUSA-N 452.932 -0.888 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)CNC(=O)c1cccs1)CCO2 1783933025 AVGXGXBCDFLXLX-HXUWFJFHSA-N 451.549 -0.319 50 20 JBGD COC(=O)[C@@H]1CC[C@@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cnccc4C(=O)NN)[C@H]3C2)C1 1788607943 YDNPGURJPMBVFO-GVYRHCHYSA-N 473.530 -0.132 50 20 JBGD COC[C@@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CS(=O)(=O)N3CCCC3)C[C@@H]21 1791254668 PYUXWONNLICPSZ-JONQDZQNSA-N 451.973 -0.355 50 20 JBGD O=C1CSc2cc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)c3ccc(B(O)O)cc3)C4)ccc2N1 1796291813 NEKXXXXLQUQWNX-VPTLXERWSA-N 481.339 -0.072 50 20 JBGD COc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C(C)=N/NC(=O)c2ccc[nH]2)nn1 1796441532 NBNAXNWGARFBHL-GBQKICQVSA-N 455.475 -0.178 50 20 JBGD CS(=O)(=O)N1CCC(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cnccc2C(=O)NN)C3)CC1 1797705419 NCTJTEBHULFUAH-MUJYYYPQSA-N 478.575 -0.392 50 20 JBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C2 1801013021 KPPVGSCVIMVEDI-FAQVEIGNSA-N 480.587 -0.405 50 20 JBGD O=C1CC[C@H](C(=O)NC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)CN1 1802611924 QZWBWIDQAHLFDK-WFXMLNOXSA-N 450.304 -0.393 50 20 JBGD COC(=O)CSCC(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1803576406 XBBPACZEFXEFGM-DYESRHJHSA-N 471.344 -0.013 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)CN(C)C(=O)C(=O)O)[C@H]1c1cccnc1 1813073596 KRUKKPZZWXVVJH-KXBFYZLASA-N 462.507 -0.997 50 20 JBGD NNC(=O)c1ccncc1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@H]1CCNC(=O)C1)CC2 1819800881 TUKJUSAEFZEGSH-WDEREUQCSA-N 457.516 -0.106 50 20 JBGD C[C@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)CN3C(=O)CNC3=O)CCO2)C1 1832320142 HFRYSAIYGSOUPK-PXAZEXFGSA-N 461.313 -0.974 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1c(F)ccnc1Cl)CCO2 1833248893 GCWXWWDYXHSXCJ-OAQYLSRUSA-N 477.685 -0.062 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)CS(=O)(=O)N3CCCC3)CC2)CC1)[C@@H](O)CCl 1833310211 CXFWSTDIDCXACF-KRWDZBQOSA-N 465.016 -0.417 50 20 JBGD CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](O)CCl)CC2)CC1 1833312691 XGLICWINHQFDFY-ZWKOTPCHSA-N 461.943 -0.348 50 20 JBGD O=C1NCCCn2nc(C(=O)N3CCOC[C@@]4(CN(C(=O)CCBr)CCO4)C3)cc21 1834821735 VVZPSHAWRSAEON-LJQANCHMSA-N 484.351 -0.128 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC1CCN(C2CCN(C(=O)c3cnncc3C(=O)O)CC2)CC1 1835738013 QFSCNTXQLIYIKR-UHFFFAOYSA-N 496.528 -0.328 50 20 JBGD COc1ncc(Cl)cc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835926698 ZGNBZHAOSOLWIC-JOCHJYFZSA-N 489.721 -0.193 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)c3cccnc3OCC3CC3)C2)C1 1835927543 SGHZBFNQPPXXPQ-RUZDIDTESA-N 495.341 -0.066 50 20 JBGD O=C(c1c[nH]c2nccc-2c1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835928094 DMQVCYDCTBTLNL-HSZRJFAPSA-N 464.287 -0.422 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)c3cnc4ccccc4n3)C2)C1 1835928337 KZQUHFUZCJSFED-DEOSSOPVSA-N 476.298 -0.307 50 20 JBGD C[C@@H](Nc1ccccn1)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835930569 NIYPEWCXEQUWQY-UZUQRXQVSA-N 468.319 -0.668 50 20 JBGD COc1nc(C)ccc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835931155 HSEOYPFWLFXCEW-HSZRJFAPSA-N 469.303 -0.538 50 20 JBGD O=C(c1ccc2nn[nH]c2c1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835932213 UGXMWDSGAMCUCX-QFIPXVFZSA-N 465.275 -0.979 50 20 JBGD O=C(CCc1ccc(F)nc1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835935404 RCYSNOAVOHZGEE-HSZRJFAPSA-N 471.294 -0.397 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(CO)o1)CCO2 1837967283 UWQFDMPEPHYYIJ-VCOZGABYSA-N 473.486 -0.024 50 20 JBGD C[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)CCO2)C1 1839718906 UPUJOASYQVLORP-SCLBCKFNSA-N 487.307 -0.004 50 20 JBGD C[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1840034052 YWICYQDGTGTUBD-KZULUSFZSA-N 470.324 -0.462 50 20 JBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](CCN)NC(=O)OC(C)(C)C)C2)C1 1840151449 BMNZNGZZLMOIEQ-GCKMJXCFSA-N 493.001 -0.061 50 20 JBGD O=C(COC(=O)c1ccc(CN2C(=O)CNC2=O)cc1)NNC(=O)[C@H]1COc2ccccc2O1 921182562 BLTCRTMXMUYPMQ-QGZVFWFLSA-N 468.422 -0.117 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)NC(=O)c3cnccn3)C2)C1 1779179286 DMJKTTYODYJIQT-ZIPBQWQNSA-N 496.528 -0.441 50 20 JBGD CC(C)(C)OC(=O)N[C@H](O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2 1781048341 ZGKVUFNKODJSBN-LYHRCORUSA-N 491.350 -0.663 50 20 JBGD CN1CCCn2nc(C(=O)N3CC[C@@]4(CN(C(=O)c5cccc(B(O)O)c5)CCO4)C3)cc2C1 1782562239 NYPMTVWTJDBLOM-QHCPKHFHSA-N 467.335 -0.844 50 20 JBGD N[C@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1cccnc1 1786930727 ZRHGFEAUSPNRRG-WJMWBRGCSA-N 452.320 -0.555 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1cc(Cl)nc2n[nH]cc12 1796053023 HSIOLIDTWGASEV-IVWMJMPLSA-N 469.694 -0.192 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](N)Cc1cscn1 1796304360 GDDXHAUIOOAEJE-NUCKCNNZSA-N 473.559 -0.264 50 20 JBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnn3ncccc13)C2 1797750491 HZYYUFWFGRHODA-IVWMJMPLSA-N 450.459 -0.755 50 20 JBGD Cn1c(=O)n(C)c2cc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)c3cnccc3C(=O)NN)ccc21 1797750738 OQHWSIKQSMFGNL-YVWYUNDQSA-N 493.524 -0.608 50 20 JBGD COC[C@@H](NC(C)=O)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827052295 SUMVBUFWJCCZMZ-NHCUHLMSSA-N 459.352 -0.249 50 20 JBGD CN1CCCC[C@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1830768832 GACHRWUIRYZTEW-PGRDOPGGSA-N 460.535 -0.761 50 20 JBGD C[Si](C)(C)OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc3n(n1)CCNC3=O)CCO2 1834563213 ARLJEHMSACEXHJ-HXUWFJFHSA-N 465.583 -0.452 50 20 JBGD Cc1cc(CC(=O)N2CCC(N3CCC(NC(=O)c4cccc(B(O)O)c4)CC3)CC2)nn1C 1834800395 FTZGIKLIEPZZFO-UHFFFAOYSA-N 467.379 -0.164 50 20 JBGD COc1cccc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)c1F 1835942154 ZCRCAZLMGJEBRJ-HSZRJFAPSA-N 472.278 -0.102 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cccnc3)C2)C1 1837457771 QPFVGKBEMLHLTO-QHCPKHFHSA-N 468.514 -0.217 50 20 JBGD C=CC(=O)N[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1837921132 DARRMVOAKXFAGC-INIZCTEOSA-N 457.336 -0.331 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)c1cc(-c3ccncc3)[nH]n1)CCO2 1838011177 KVULWRDQLUZBCX-DEOSSOPVSA-N 491.313 -0.465 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCC(OC2CCN(C(=O)CCn3cncn3)CC2)CC1 1838395293 AAOFFEIVRNATHF-UHFFFAOYSA-N 470.534 -0.021 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)c1ccn(-c3ccccc3)n1)CCO2 1838745390 VRLSTAOHCCASTK-VWLOTQADSA-N 490.325 -0.064 50 20 JBGD COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1840141565 KYABWNLSSVBFPY-ROKPMTFOSA-N 486.330 -0.808 50 20 JBGD COC(=O)[C@@H]1CCC[C@@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)C1 1840148305 OYISRVMEKNKTLR-PMAPCBKXSA-N 482.578 -0.205 50 20 JBGD Cc1cnn([C@@H](C)C(=O)N2CCOC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)c1 1840184750 FDKPYLPQVUWVKG-LAUBAEHRSA-N 450.540 -0.418 50 20 JBGD Cn1cc(S(=O)(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1C(N)=O 912979408 PPTONIRIUPHALI-UHFFFAOYSA-N 455.518 -0.468 50 20 JBGD COCCn1cc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)ccc1=O 917392043 NJSJTPURVOCLAG-UHFFFAOYSA-N 464.500 -0.410 50 20 JBGD O=C(NNC(=O)[C@H]1CCCCN1S(=O)(=O)c1cccs1)N[C@@H]1CCS(=O)(=O)C1 919884150 DYDLMGGLBCEHSQ-VXGBXAGGSA-N 450.564 -0.191 50 20 JBGD C[C@@H](CS(C)(=O)=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnccc2C(=O)NN)C1 1779371160 JXPIPJLHPLXRAY-AVBTWRTFSA-N 481.575 -0.507 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cnccc1C(=O)NN)C2 1782214297 JUANIWCTOCTAGB-VGOFRKELSA-N 475.550 -0.814 50 20 JBGD O=C(/C=C/c1cnccn1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2 1782617657 WGFIRGGDROFDTI-AIEVJSQUSA-N 450.304 -0.003 50 20 JBGD Cc1c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cnccc4C(=O)NN)C[C@@H]32)cn2[nH]cnc(=O)c12 1789176074 NWCIMRRUSIKNIT-KKXDTOCCSA-N 494.512 -0.763 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1ccc(N2CCOCC2)cn1 1794440881 WCNHGNAWLSZXMJ-OPMZPASUSA-N 480.330 -0.885 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3cccnc3nc1O)C2)c1cccc(B(O)O)c1 1795740516 DHRBSZZGTCMWHU-HGKCTWBKSA-N 462.271 -0.468 50 20 JBGD O=C1CSc2ncc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)c3cccc(B(O)O)c3)cc2N1 1795741260 PMANEUCRRLSBQY-CCWDJLKJSA-N 482.327 -0.677 50 20 JBGD CN(C)c1cncc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)c1 1797749601 GYEQJQKVUFEIKN-CCWDJLKJSA-N 453.503 -0.337 50 20 JBGD COc1c(Cl)ccnc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1798687394 KVBRDYXBRUPRRB-XOIINTDNSA-N 459.695 -0.060 50 20 JBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O 1799196601 LHCLOPMRQWSYEJ-WFNPHZEWSA-N 497.593 -0.823 50 20 JBGD CN(CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(B(O)O)c1)C2)NC(=O)NCc1ccccc1 1799871488 JZLWMANPUVAVSQ-KOUNCHBCSA-N 493.373 -0.036 50 20 JBGD CC(=O)NC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1803591223 FEQGDLGBQCFGQW-ICSRJNTNSA-N 452.320 -0.004 50 20 JBGD O=C(NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)c1cccc(=O)n1O 1804953441 ZVHVYRNNPJPMNP-LAUBAEHRSA-N 462.271 -0.206 50 20 JBGD CCS(=O)(=O)N[C@H](C)C(=O)N1CCCC2(CCN(C(=O)c3cccc(B(O)O)c3)CC2)C1 1805958712 YZDZORWAHFATTR-MRXNPFEDSA-N 465.381 -0.461 50 20 JBGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1cc3n(n1)CCNC3=O)CC2)c1ccc(B(O)O)cc1 1815339907 TZEXZSUYXUDXHY-CYBMUJFWSA-N 480.315 -0.698 50 20 JBGD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@H](NC(=O)c1cccc(B(O)O)c1)CC2 1828242680 RWIJFGDVSAKJID-GFCCVEGCSA-N 490.397 -0.091 50 20 JBGD O=C(c1ccc([N+](=O)[O-])c2c1OCO2)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830731439 JRJAZGAMGDPYDF-KUHUBIRLSA-N 471.850 -0.007 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)c1n[nH]c(C3CC3)c1F)CCO2 1833679557 YWWWCPPXGOJNMZ-QFIPXVFZSA-N 472.282 -0.510 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCC(N2CCC(NC(=O)Cn3cc([N+](=O)[O-])cn3)CC2)CC1 1833786035 BQDKKCXBXIXNLU-UHFFFAOYSA-N 499.532 -0.325 50 20 JBGD C[C@](O)(C(=O)N1CCC(N2CCC(NC(=O)c3cccc(B(O)O)c3)CC2)CC1)C(F)(F)F 1834799843 HHLBZZIZEYJEAA-FQEVSTJZSA-N 471.285 -0.135 50 20 JBGD CN1N=C(C(=O)N2CCC(N3CCC(NC(=O)c4cnccc4C(=O)NN)CC3)CC2)CCC1=O 1835737180 SOMTZJPYRRKCDD-UHFFFAOYSA-N 484.561 -0.522 50 20 JBGD COc1cccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)n1 1835927101 FNSWNDAEVLCVBW-HSZRJFAPSA-N 469.303 -0.917 50 20 JBGD Cc1cc(/C=C/C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)no1 1835930269 GJGRBLGJGVRBOI-WMWRJIBUSA-N 455.276 -0.554 50 20 JBGD CC(C)NC(=O)OC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835930998 BWFFGLDGDRCTAO-QHCPKHFHSA-N 491.350 -0.650 50 20 JBGD O=C(c1n[nH]c2c1CS(=O)(=O)C2)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1 1836257842 OBINVFFZUNQBHP-CZUORRHYSA-N 450.876 -0.558 50 20 JBGD C[C@](O)(C(=O)N1CCOC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1)C(F)(F)F 1837455989 GZUPGTCNJWPDOB-ROUUACIJSA-N 475.424 -0.932 50 20 JBGD C[Si](C)(C)OCC(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=O)C(F)(F)F)C2)C1 1837718021 WYKGHZHEWNENKK-INIZCTEOSA-N 455.506 -0.027 50 20 JBGD C[C@@H](Cn1cncn1)C(=O)N1CCC(OC2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1837921292 VQMUJJUZROFDRJ-KRWDZBQOSA-N 469.351 -0.094 50 20 JBGD CCc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)nn1C 1838279852 XDSGUPONKPWKTA-NRFANRHFSA-N 450.540 -0.575 50 20 JBGD CO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CN(C)NC(=O)NCc3ccccc3)CCO2)C1 1839054278 QWWRVXLXSCBNDS-MBSDFSHPSA-N 477.562 -0.176 50 20 JBGD COC(=O)C12CC(C(=O)N3CCO[C@]4(COCCN(C(=O)CCC(=O)NN(C)C)C4)C3)(C1)C2 1840007030 JLDUVDPBUSDWEH-HRTMPFAESA-N 466.535 -0.841 50 20 JBGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)N3CCN(C)CC3)C2)C1 1840034786 XJTMGBICBHQBOK-FCEWJHQRSA-N 461.401 -0.138 50 20 JBGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](CO)NC(=O)OC(C)(C)C)C2)C1 1840152907 YKDSFXJEHFVLHA-QEEYODRMSA-N 479.958 -0.418 50 20 JBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)NC(=O)c3cnccn3)C2)C1 1840153542 SDLRDLRDWHLPCG-AVYPCKFXSA-N 469.926 -0.695 50 20 JBGD C[C@H](Cn1cccn1)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840183476 GUFCCQWFHHKEHE-DYESRHJHSA-N 450.540 -0.651 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C3\C(=O)Nc4ccccc43)C2)C1 1840184534 SGYVCBXZAFASLC-OXRVHCRPSA-N 485.541 -0.149 50 20 JBGD COc1cccc(NCC(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)c1 728206066 STRUVDZMEZTDRY-UHFFFAOYSA-N 461.500 -0.311 50 20 JBGD COc1cc2c(cc1OC)[C@@H](CC(=O)NNC(=O)[C@@H](C)S(C)(=O)=O)N(S(C)(=O)=O)CC2 916159643 WJQMFYIOSLHBFO-BXUZGUMPSA-N 477.561 -0.467 50 20 JBGD CC(C)N(C)S(=O)(=O)c1ccc(F)c(C(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)c1 919887285 ZGZHYGMBTNCEBA-LLVKDONJSA-N 450.514 -0.014 50 20 JBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)Cc3csc4c3c(=O)n(C)c(=O)n4C)C2)C1 1780921975 FMSYMHJJVUTSPO-QKKBWIMNSA-N 498.989 -0.075 50 20 JBGD COC[C@@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)C3CCN(S(C)(=O)=O)CC3)CCO2)C1 1783875002 NHFDITRDAZMZKA-CRAIPNDOSA-N 451.973 -0.258 50 20 JBGD CN(CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1)NC(=O)NCc1ccccc1 1791078920 KQQBVUMOKMTDJD-FHWLQOOXSA-N 471.514 -0.600 50 20 JBGD N#Cc1ccccc1OCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1792145618 BXYJTCLWKPUGAT-VCOUNFBDSA-N 463.299 -0.090 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCc3ccccc3O1)C2)c1cccc(B(O)O)c1 1795741054 YOJWYDBSZUXLNM-GMQQQROESA-N 450.300 -0.037 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc2cc([N+](=O)[O-])ccc2[nH]1 1799876954 WASIGSAJLRXFSE-KSPBDQMDSA-N 494.468 -0.013 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1C(=O)C=CC1=O 1801117846 JAMMWAKEFTZOTA-AHXJXLJNSA-N 484.937 -0.367 50 20 JBGD O=C(NC[C@@H]1CCN(C(=O)CCN2CCOCC2)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807371515 WDSDRANQEXHOSF-REWPJTCUSA-N 466.347 -0.197 50 20 JBGD C[C@H](C(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1)[C@H]1SC(=N)NC1=O 1808395689 OQAHBJZGIDWIDE-ZAUBIYILSA-N 495.370 -0.117 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCCC2(CCN(C(=O)c3cc(=O)n4[nH]cnc4n3)CC2)C1 1809966897 NALSJYKCOHUUBK-UHFFFAOYSA-N 464.291 -0.744 50 20 JBGD O=C(Cn1ccncc1=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1812341765 NSELDHCOHDNHSC-XMSQKQJNSA-N 461.287 -0.662 50 20 JBGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1)[C@H]1CCCS1(=O)=O 1821834326 YIQDWXSCIQSHLN-DLBZAZTESA-N 460.321 -0.027 50 20 JBGD N=C1NCCN1CC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cnccc2C(=O)NN)CC1 1828926311 FKYBPUUWADKNTP-GOSISDBHSA-N 456.551 -0.242 50 20 JBGD O=C1CN(c2cccc(C(=O)N3CCO[C@@]4(COCCN(C(=O)[C@H](O)CCl)C4)C3)n2)CCCN1 1833724019 CNGVCZOZZHETJU-VGSWGCGISA-N 495.964 -0.922 50 20 JBGD O=C1NCCn2nc(C(=O)N3CCOC[C@@]4(CN(C(=O)CCBr)CCO4)C3)cc21 1834819247 LURIDVATVMERJO-GOSISDBHSA-N 470.324 -0.519 50 20 JBGD C[C@@H](Nc1cccnc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1835695700 KIXVQMYZDGEUSS-VGOFRKELSA-N 462.551 -0.289 50 20 JBGD CC[C@H](NC(C)=O)C(=O)N1CCC(N2CCC(NC(=O)c3cnccc3C(=O)NN)CC2)CC1 1835734766 VBLRSEPJHQRKFK-FQEVSTJZSA-N 473.578 -0.215 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCC(N2CCC(NC(=O)c3cnncc3C(=O)O)CC2)CC1 1835921638 WPDNWOOTOWBBBV-UHFFFAOYSA-N 475.550 -0.267 50 20 JBGD Cn1ncc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)c1Cl 1835931141 HDCKOEZVXXCPKR-HXUWFJFHSA-N 462.699 -0.863 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)c3cncc4cnccc34)C2)C1 1835931430 SEMLYHVYAHFIEI-DEOSSOPVSA-N 476.298 -0.307 50 20 JBGD C[C@@H](Oc1cccnc1)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835933579 CGILWSCNOGUITD-UZUQRXQVSA-N 469.303 -0.701 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccccn3)CCO2)C1 1836190138 KONTUUDFPYYHIM-QFIPXVFZSA-N 454.487 -0.607 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCC(OC2CCN(C(=O)CN3CCOC3=O)CC2)CC1 1836788336 YDAVFMPWUUFBRQ-UHFFFAOYSA-N 453.540 -0.190 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCC(OC2CCN(C(=O)c3ccc[n+]([O-])c3)CC2)CC1 1837239713 LCZNMYIFTVKRIU-UHFFFAOYSA-N 453.304 -0.074 50 20 JBGD C[C@H](Nc1cnccn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1837481965 OAMHLRPWUYHUJI-NYHFZMIOSA-N 484.517 -0.954 50 20 JBGD CCc1noc(C)c1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1838056229 SZSNZDVCUDHREV-QFIPXVFZSA-N 457.292 -0.391 50 20 JBGD COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)c(C#N)c1 1839131844 CJZDWWBMNISHNJ-VWLOTQADSA-N 493.325 -0.441 50 20 JBGD CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](F)Br)CCO2)C1 1839201851 LGNCLLOOWCNBLX-PSTGCABASA-N 484.319 -0.024 50 20 JBGD CC[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nccnc3C(N)=O)C2)C1 1839965739 IWYOJSOEBRCSSI-SGTLLEGYSA-N 470.324 -0.181 50 20 JBGD CCNC(=S)NCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)Br)CCO2 1840035313 MUDCIIOFNRYXCE-MLGOLLRUSA-N 451.387 -0.290 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(CO)c(F)c1)CCO2 1840784663 WWQKEMMDUKPBTM-QFIPXVFZSA-N 466.510 -0.239 50 20 JBGD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1840880102 WNEGQUDJFQZQJB-FFKDTVBMSA-N 456.879 -0.127 50 20 JBGD O=C(Cc1cn2c(nc1=O)SCC2)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843012035 XOIDXTXAPDRDCD-UHFFFAOYSA-N 454.317 -0.912 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)c2ccc(-n3c(O)nnc3O)cc2)C1 1844739294 OPHCGUGCIPRIIT-UHFFFAOYSA-N 463.259 -0.511 50 20 JBGD Cc1ccc(S(=O)(=O)NCC(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc1 913465148 JEMKOHURFZKCFR-UHFFFAOYSA-N 454.530 -0.015 50 20 JBGD C[C@@H](CN1CCOCC1)NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 916469607 BSHLQZIHKWELCD-HNNXBMFYSA-N 455.537 -0.628 50 20 JBGD CC(=O)NCC(=O)NCC(=O)NNC(=O)c1ccccc1NS(=O)(=O)c1cccs1 921166423 IEJJLEUHNONYMJ-UHFFFAOYSA-N 453.502 -0.438 50 20 JBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2)[C@@H]1CC[C@@H]2CCC(=O)N2C1 1780605904 SYBXLAGTEBEOAJ-GUQHISFFSA-N 483.374 -0.105 50 20 JBGD Cc1cc(NC(=O)CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cnccc4C(=O)NN)[C@H]3C2)no1 1788610252 MMRQEMDHDOQLBE-JQFCIGGWSA-N 485.501 -0.396 50 20 JBGD COCCOCCOCCOCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](Cl)COC)C[C@@H]21 1791144562 KACDVSGOVWQSLT-VJANTYMQSA-N 480.986 -0.084 50 20 JBGD COc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)c([N+](=O)[O-])c1 1795739959 WIAQIASUXPZRAI-FAQVEIGNSA-N 483.286 -0.271 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Br)C2)c1cc2n(n1)CCCNC2=O 1797323685 QYRATZVVUASPMQ-DJBIQUGXSA-N 458.288 -0.090 50 20 JBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3c(c1)CNC3=O)C2 1797751865 WMGHHCNOUQNHGM-CCWDJLKJSA-N 464.482 -0.555 50 20 JBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C 1800807906 BTBBKCMWPUSGEG-QOSLBHJFSA-N 497.593 -0.681 50 20 JBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O)C2 1801012789 YAIDARGBOXOPGY-PHSQPZKOSA-N 497.593 -0.823 50 20 JBGD CCOC(=O)N[C@H](O)C(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807373820 CCRGAJUUBBRSHE-IMFGXOCKSA-N 470.291 -0.855 50 20 JBGD O=C(/C=C\C(=O)NC1CC1)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1810125975 ZEUPSFBRSYNERY-IKZVLANPSA-N 462.315 -0.084 50 20 JBGD NNC(=O)c1ccncc1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CN1CCOCC1)CC2 1819795793 RGGSZPDLJYHYQY-LBPRGKRZSA-N 459.532 -0.300 50 20 JBGD CC(=O)NCC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C2)C1 1831691795 JGWZDKXJOMRENT-LRULAXNGSA-N 490.561 -0.261 50 20 JBGD CO[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1832004114 PLIQGJBMWYGWQM-JXSLOMFPSA-N 493.985 -0.029 50 20 JBGD O=C([C@H](O)CCl)N1CCOC[C@]2(C1)CN(C(=O)C(F)(F)C(F)(F)C(=O)O)CCO2 1832246600 KCRXBXDSAMAQJP-RNCFNFMXSA-N 450.769 -0.602 50 20 JBGD CCn1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)n1 1834406730 KEOFXDYANPXFBD-NRFANRHFSA-N 457.491 -0.715 50 20 JBGD CC(C)CNC(=O)C(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834798664 WFWQJWXBCNMBNA-UHFFFAOYSA-N 458.368 -0.676 50 20 JBGD Cc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)cc1 1835081843 GXVADPINNZTXGF-DEOSSOPVSA-N 452.316 -0.012 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)c3ccc(Cl)nn3)C2)C1 1835937901 APURJNZELAZSGD-HXUWFJFHSA-N 460.683 -0.806 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(Cl)nn1)CCO2 1837834444 RLQAXQMLJSXRTM-HXUWFJFHSA-N 460.683 -0.806 50 20 JBGD CN(CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cncn3C)C2)C1)NC(=O)NCc1ccccc1 1839054046 DADLLQHKMWZJCK-DEOSSOPVSA-N 499.572 -0.164 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)ccc3F)C2)C1 1840185061 GXQAGBUVGIXCLU-NRFANRHFSA-N 452.483 -0.026 50 20 JBGD COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)cc1F 1840527105 XNQKBJVIOCOPPG-DEOSSOPVSA-N 486.305 -0.173 50 20 JBGD O=C([C@@H]1[C@@H](O)CCN1Cc1ccccc1)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843015030 ZWNFYIULERAQAD-VXKWHMMOSA-N 463.343 -0.181 50 20 JBGD NS(=O)(=O)c1ccc2c(c1)oc(=O)n2CC(=O)NNC(=O)c1cc(Br)c[nH]1 914603983 IFQKUWDEAVNELT-UHFFFAOYSA-N 458.250 -0.206 50 20 JBGD CN1CC(=O)N(CCCC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)C1=O 921232447 HWKGCRAFAXJDMK-UHFFFAOYSA-N 451.505 -0.094 50 20 JBGD CN(CC(=O)N1CC[C@@]2(CN(C(=O)CSC(=N)N)CCO2)C1)NC(=O)NCc1ccccc1 1780969421 GNMCDONXTMGKCH-NRFANRHFSA-N 477.591 -0.211 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@]1(O)CCN(C(=O)OC(C)(C)C)C1)CCO2 1783938073 RRGDRJAMHLFUEU-GOTSBHOMSA-N 497.593 -0.439 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnn4c3OCCC4)C[C@@H]21)c1ccc(B(O)O)cc1 1786982036 ZQDCENVZGIEPHQ-SNRMKQJTSA-N 454.292 -0.748 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])c4c3OCO4)C[C@@H]21)c1cccc(B(O)O)c1 1786984859 RMEMYKTXSFXLNM-FNHZYXHNSA-N 497.269 -0.090 50 20 JBGD COCCn1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cnccc4C(=O)NN)[C@H]3C2)n1 1788610063 ADEGWOVVANNYLE-FNHZYXHNSA-N 471.518 -0.565 50 20 JBGD COc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)cc1O 1795732935 TVAQGXBLYDYCHB-FAQVEIGNSA-N 454.288 -0.474 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc3c(c1)CCO3)C2)c1cccc(B(O)O)c1 1795741316 UNNYHCVAOWAXGP-BBIADKPPSA-N 450.300 -0.253 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)[C@@H]1CN(Cc2ccccc2)CCO1 1797245251 GMHHNODCCMXBKR-DVKRWUGUSA-N 493.369 -0.529 50 20 JBGD O=C(/C=C1\C(=O)Nc2ccccc21)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1797659081 DODUOTQYSMVYRG-GDWXXPKMSA-N 461.283 -0.395 50 20 JBGD CN(CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ncon1)NC(=O)NCc1ccccc1 1798352278 ILYGQZAQEKNMOE-ALXJQNPVSA-N 457.491 -0.381 50 20 JBGD CN1CCCn2nc(C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)c3ccc(B(O)O)cc3)C4)cc2C1 1801183680 ZARGKERFFPKRSO-REPLKXPHSA-N 451.336 -0.036 50 20 JBGD CN1N=C(C(=O)N2CC[C@H](CNC(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)CCC1=O 1807362239 JWROJAJVDCBVJF-UTKZUKDTSA-N 463.303 -0.311 50 20 JBGD O=C(NCC(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1)c1cccnc1 1807364566 STYBHWNPBYDNNR-WMZHIEFXSA-N 487.325 -0.094 50 20 JBGD CC(C)CNC(=O)C(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1808443942 NWUQCHZYTGUNLN-UYAOXDASSA-N 452.320 -0.147 50 20 JBGD Cc1cc(C(=O)NCC(=O)NC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)no1 1810375107 FYWYFIKTNUXVDP-AVRDEDQJSA-N 491.313 -0.193 50 20 JBGD COC(=O)[C@@H]1CC[C@@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)C1 1830709053 SQWYIQVVCBOCGQ-PMAPCBKXSA-N 474.319 -0.974 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCOC3=O)CCO2)C1 1831017975 PICNEDIORLKHFG-CPOKCXMASA-N 476.490 -0.971 50 20 JBGD CC(C)(C)OC(=O)CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1831989993 QOOZTJKGUCCOOO-QFIPXVFZSA-N 462.308 -0.832 50 20 JBGD O=C([C@@H](O)CCl)N1CCOC[C@]2(C1)CN(C(=O)C(F)(F)C(F)(F)C(=O)O)CCO2 1832246604 KCRXBXDSAMAQJP-ZANVPECISA-N 450.769 -0.602 50 20 JBGD COCCn1ccc(C(=O)NC2CCN(C3CCN(C(=O)c4cccc(B(O)O)c4)CC3)CC2)n1 1835185404 QGCWSXIIZMFIKU-UHFFFAOYSA-N 483.378 -0.292 50 20 JBGD O=C(Cc1ccccc1F)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835929507 RVHAFGOORFURRB-QHCPKHFHSA-N 456.279 -0.182 50 20 JBGD O=C(Cc1cccc(F)c1F)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835932228 UWKSVQVYWOMBJF-HSZRJFAPSA-N 474.269 -0.043 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)c3cc(Cl)cc4nn[nH]c34)C2)C1 1835938189 PCCPQESVCQWPSH-JOCHJYFZSA-N 499.720 -0.325 50 20 JBGD O=C(O)c1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](F)Br)CCO3)ncn1 1839197561 BBZIGJGUXVHURI-LRDDRELGSA-N 461.244 -0.065 50 20 JBGD O=C(CCN1C(=O)C=CC1=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839198430 DDLBXSYSRSTNFH-RDJZCZTQSA-N 462.272 -0.552 50 20 JBGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1840031812 CQSCHQNFYYRWNX-UGSOOPFHSA-N 455.114 -0.780 50 20 JBGD O=C1CSc2ncc(C(=O)N3CCCC34CN(C(=O)c3ccc(B(O)O)cc3)C4)cc2N1 1845669237 BXNQJSQNTRQKAL-UHFFFAOYSA-N 452.301 -0.064 50 20 JBGD COc1cccc(NCC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)c1 728205768 DRFYESJRKUGIRJ-UHFFFAOYSA-N 461.500 -0.311 50 20 JBGD COCCn1cnc2c1c(=O)n(CC(=O)NNC(=O)Cc1ccccn1)c(=O)n2Cc1ccccc1 729394752 WWWDIBMRWTVKDA-UHFFFAOYSA-N 491.508 -0.161 50 20 JBGD Cn1nc(SCC(=O)NN=C2CCS(=O)(=O)c3ccc(Cl)cc32)c(=O)n(C)c1=O 812456870 WVFCVVNQXNXHMS-UHFFFAOYSA-N 457.921 -0.078 50 20 JBGD CCc1ccc(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cc1S(=O)(=O)N1CCOCC1 914444985 IXPQCNDBNKQPJO-HNNXBMFYSA-N 459.546 -0.534 50 20 JBGD COc1cccc(C(=O)NNC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c2ccccc2)c1O 919755638 MRJHXWNDQYUMMD-HNNXBMFYSA-N 485.540 -0.056 50 20 JBGD CN(CC(=O)N1CC[C@]2(CN(C(=O)CN3CCOCC3)CCO2)C1)NC(=O)NCc1ccccc1 1780970382 VBTKMJGALFXGRK-XMMPIXPASA-N 488.589 -0.505 50 20 JBGD COCCOCCOCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786983979 YKRDTAPFTBVKSL-JBACZVJFSA-N 478.351 -0.971 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccnnc3O)C[C@@H]21 1787508615 LOZCNUNSZMSBNE-SYJIGIJGSA-N 455.475 -0.091 50 20 JBGD Cc1ccc(S(=O)(=O)CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)cc1 1795322787 YJECBABQMMSQCV-OPMZPASUSA-N 486.355 -0.648 50 20 JBGD O=C1Nc2c(cccc2C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)C1=O 1795734335 MQDADRAVTHBFGY-ZSBFGKGUSA-N 463.255 -0.982 50 20 JBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1CN(C(=O)OC(C)(C)C)C1 1797147667 OLOBOQQNSRCPES-HGKCTWBKSA-N 467.567 -0.184 50 20 JBGD CN(CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN)C(=O)OC(C)(C)C 1797750673 MZFROGQGSREUBT-ZSBFGKGUSA-N 476.534 -0.245 50 20 JBGD CCOC(=O)c1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)ccn1 1801011809 GVPXUMICZWDQCS-CWPLJXCYSA-N 461.519 -0.166 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(=O)C(F)(F)F 1801032803 CBBRXVTUACDYFE-LAZSDIHESA-N 472.424 -0.612 50 20 JBGD CN1CCN(CCC(=O)N2CC[C@H](CNC(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)CC1 1807371489 VQQTVDSEGLMNNB-QPPBQGQZSA-N 479.390 -0.282 50 20 JBGD CS(=O)(=O)CCC(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1813573769 ISDIZWOYRBSIMS-FXAWDEMLSA-N 459.333 -0.484 50 20 JBGD O=C(CN1C(=O)CSC1=S)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1814186756 WUDKDELEFZGZSH-OXQOHEQNSA-N 498.395 -0.059 50 20 JBGD O=C(CCN1C(=O)c2ccccc2C1=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830725601 KSSZZTYAGCLAEZ-VGSWGCGISA-N 479.917 -0.271 50 20 JBGD C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830739207 ZZPBCUSHNRRHDS-QYWGDWMGSA-N 473.954 -0.041 50 20 JBGD CC(C)(NCCC#N)C(=O)NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1834715356 XWMGXCXLEDPCJD-UHFFFAOYSA-N 469.395 -0.167 50 20 JBGD O=C(c1ccc2nc(CO)[nH]c2c1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835928387 NPQWBBZKBNIVRK-DEOSSOPVSA-N 494.313 -0.881 50 20 JBGD CN1CCc2cc(C(=O)N3CCOC[C@]4(C3)CN(C(=O)c3ccc(B(O)O)cc3)CCO4)ccc21 1835930508 KQZJSLNTYIRFDW-VWLOTQADSA-N 479.342 -0.258 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc3cncn3c1)CCO2 1837121294 JDRYDRBVQRDADE-QHCPKHFHSA-N 464.287 -0.602 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(N)s3)C2)C1 1837457883 UUGUIORVDJNMHG-LJQANCHMSA-N 461.504 -0.892 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccnc(Cl)n3)CCO2)C1 1837924303 UTJKHKAYOOIVLN-FQEVSTJZSA-N 475.893 -0.488 50 20 JBGD COCCOCCOCCOCCC(=O)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843011988 RIKWGDULWPLVEQ-UHFFFAOYSA-N 478.351 -0.730 50 20 JBGD COC(=O)c1cc(S(=O)(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c(Br)cc1F 728510904 XTEYCVCKUGBJEZ-LURJTMIESA-N 476.302 -0.378 50 20 JBGD CC(C)NC(=O)C(=O)NNC(=O)CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21 746489235 LQXMBGFWKRAXDD-UHFFFAOYSA-N 467.504 -0.559 50 20 JBGD CCn1cnc2c1c(=O)n(CC(=O)NNC(=O)c1cnsn1)c(=O)n2Cc1ccccc1 919703665 YBOGBPDHAMFZMZ-UHFFFAOYSA-N 454.472 -0.259 50 20 JBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)CNCP(=O)(O)O)C2)[C@@H](F)Br 1780771925 ULVPXPORCQLNNU-MPKXVKKWSA-N 460.237 -0.084 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)c3cnc4c(c3)CCNCC4)C2)C1 1782729852 VBASFZBAXLYWOJ-DEOSSOPVSA-N 464.331 -0.793 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(O)nn3)[C@H]2C1 1785844209 FBZYLOUMQPVZDB-JHUKZBBPSA-N 455.475 -0.091 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3C[C@@]34C(=O)Nc3ccccc34)C[C@@H]21)c1cccc(B(O)O)c1 1786986573 MDOBZTTUFSRVSR-UUGAXHFOSA-N 489.337 -0.130 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc4c(n3)NC(=O)CC4)C[C@@H]21 1788610070 AVLKHWWNCPNLCC-FNHZYXHNSA-N 493.524 -0.128 50 20 JBGD CN(CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCn1cncn1)C2)NC(=O)NCc1ccccc1 1799098844 JAUWQXPTQLVFRZ-HATOLVCRSA-N 484.561 -0.396 50 20 JBGD CS(=O)(=O)c1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)cc1F 1801869153 KRYNDUZJCKLABR-CWPLJXCYSA-N 490.318 -0.574 50 20 JBGD CC(=O)N1CCN(CC(=O)N2CC[C@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2c2cccnc2)CC1 1813069801 CXYSWYLVHXWRND-HYBUGGRVSA-N 487.605 -0.376 50 20 JBGD O=C(N[C@@H]1CCc2nc(NC(=O)c3nc4ncccn4n3)sc2C1)c1ccc(B(O)O)cc1 1818305363 CKIKBEBGUJHVDI-CYBMUJFWSA-N 463.288 -0.200 50 20 JBGD CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830736869 BVLRVVFIPIUYGB-FAPUVCABSA-N 491.969 -0.587 50 20 JBGD O=C(CN1CCSCC1)NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1833061061 HEHDEPPFFXXANE-UHFFFAOYSA-N 474.436 -0.400 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)c3nc[nH]c3[N+](=O)[O-])CC2)CC1)c1cccc(B(O)O)c1 1834799902 BVDZRFKXXBMDDR-UHFFFAOYSA-N 470.295 -0.503 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)c3cc(C(F)F)no3)C2)C1 1835935703 MQSHOOFCWJIMEX-FQEVSTJZSA-N 465.218 -0.324 50 20 JBGD O=C1CCc2ccc(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)c3cccc(B(O)O)c3)CCO4)cc21 1835939434 QLUOEUGPWOXKHF-RUZDIDTESA-N 478.310 -0.121 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)C3(Br)CC3)C2)C1 1835939546 SDOFDWKDKBDWIT-GOSISDBHSA-N 467.125 -0.636 50 20 JBGD CC(C)n1nccc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1838020638 TXRTUSGLKQNAPU-QFIPXVFZSA-N 456.308 -0.472 50 20 JBGD COc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)cc1 1838965717 DHDWEFGMRCQTCI-QHCPKHFHSA-N 454.288 -0.241 50 20 JBGD C[C@@](Cl)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)CNCP(=O)(O)O)C2)C1 1839151840 FNJPRLMQWWGEEM-CABCVRRESA-N 462.267 -0.596 50 20 JBGD CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C(=O)N2CCCC23CN(C(=O)c2cccc(B(O)O)c2)C3)C1 1845105731 XCPAJULJOWJJBT-MSOLQXFVSA-N 473.335 -0.589 50 20 JBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)CN3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)cc2)CC1 728213229 VTGQZLLDSAKYPI-HZVDNRATSA-N 473.555 -0.127 50 20 JBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)CCc3nc4c(O)nc(=O)n(C)c4[nH]3)cc2)CC1 728216031 NRVPQNGBAAIZIT-UHFFFAOYSA-N 490.546 -0.626 50 20 JBGD COc1ccc(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc1S(=O)(=O)N1CCCCCC1 729275087 KOJODBOSSVPHOB-ZDUSSCGKSA-N 476.577 -0.041 50 20 JBGD COc1ccc(C(=O)NNC(=O)COC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)cc1OC 914652567 FWPRZTIIJPOJCI-KGLIPLIRSA-N 483.499 -0.956 50 20 JBGD CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CC[C@]2(CN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)CCO2)C1 1779070164 IOMRSLWLPDEUOS-IWGJDDPLSA-N 491.501 -0.555 50 20 JBGD CN(CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cnc(O)[nH]1)CCO2)NC(=O)NCc1ccccc1 1780968599 ONIZMMDONAQDPA-JOCHJYFZSA-N 471.518 -0.095 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@H](O)CN3)C2)C1 1781040454 PDFKFSURWYCVPH-VPCSNGCSSA-N 460.959 -0.329 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccccc3C(=O)OCCO)C[C@@H]21)c1ccc(B(O)O)cc1 1786980932 FSKVCJTVULPVJW-HSQYWUDLSA-N 496.325 -0.577 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCN3CCOC3=O)[C@H]2C1 1788137424 ILZSMNYIPXIENV-JQFCIGGWSA-N 460.491 -0.879 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCc4nc(O)nc(O)c4C3)C[C@@H]21 1791288620 MLGYIBMOOJDEJD-OAOQPFQOSA-N 490.561 -0.655 50 20 JBGD CC(C)(C)OC(=O)N1C[C@H]2C[C@@]2(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)C1 1795740496 BTZGASHGJITZRN-ZTDQHOIESA-N 499.373 -0.173 50 20 JBGD CCNC(=O)N[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807374621 IKLHLJRAVOFJTJ-XFQXTVEOSA-N 467.335 -0.211 50 20 JBGD O=C(CN1CCS(=O)(=O)CC1)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1815671377 PHHBWSSJHVOFPF-SFHVURJKSA-N 489.363 -0.874 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCC([C@@H]2CCCCN2C(=O)CNCP(=O)(O)O)CC1 1826803339 ZACPVQGSYUTZLI-SFHVURJKSA-N 467.268 -0.676 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc(Cl)nc3)CCO2)C1 1829519713 PDGWBLHZICHVMD-FQEVSTJZSA-N 475.893 -0.488 50 20 JBGD COc1ncccc1CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1833000121 IDZMBJFSUVPEDG-DEOSSOPVSA-N 483.330 -0.527 50 20 JBGD O=C(Cc1cccc(F)c1)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1835022085 MWBGTTGDCJIWPR-HSZRJFAPSA-N 456.279 -0.182 50 20 JBGD C[C@H](CC(N)=O)C(=O)N1CCC(N2CCC(NC(=O)c3cnccc3C(=O)NN)CC2)CC1 1835737093 MJKDNTMDPCRTPG-CQSZACIVSA-N 459.551 -0.618 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CC(c4ccccc4)=NN3)C2)C1 1835938991 AHEBPOFOUMNCSJ-DHLKQENFSA-N 492.341 -0.797 50 20 JBGD O=C(CSc1ncccn1)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1836112783 PVDMRHLWLFVJEW-OAQYLSRUSA-N 472.332 -0.981 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc4nncn4c3)CCO2)C1 1837016439 WZYNLKFBPFXGTH-QFIPXVFZSA-N 480.485 -0.888 50 20 JBGD CC(=O)O[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1)C(C)C 1837216344 ASEWQGIOTUCDTD-UGKGYDQZSA-N 462.308 -0.976 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(O)c(F)c1)CCO2 1839305496 BCPSWHZMWZWASH-NRFANRHFSA-N 452.483 -0.026 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc4ccnn34)C2)C1 1840185453 QQXQJHYGQKNNSO-QFIPXVFZSA-N 458.519 -0.223 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CC[C@H](O)CC1)CCO2 1840270406 UCMMIRJTWAXEAW-XCGNWRKASA-N 461.519 -0.694 50 20 JBGD O=C(NNC(=O)c1cc(S(=O)(=O)NC[C@@H]2CCCO2)ccc1Br)C(=O)NC1CC1 726620131 XDAXLPAVVYXEPN-NSHDSACASA-N 489.348 -0.054 50 20 JBGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)NCCN1CCOCC1 915884949 VGFVITKIODNJSL-UHFFFAOYSA-N 469.564 -0.697 50 20 JBGD COc1ccc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)c([N+](=O)[O-])c1 1781412805 OBXNFLWRHSZIFZ-HSZRJFAPSA-N 483.286 -0.031 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2 1782212019 OORUVUKNACKJES-BFUOFWGJSA-N 451.484 -0.182 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3CC(c4ccccc4)=NN3)C2)C1 1782604128 BYXCELHTYHUWTR-XXBNENTESA-N 456.547 -0.045 50 20 JBGD COc1cccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)n1 1785197803 CHTXBSOJTFXCLA-VDGAXYAQSA-N 453.304 -0.394 50 20 JBGD C[C@H](NC(=O)c1ccccc1)C(=O)N1CC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1785555714 AAWNDKGOQGUYGV-UPCLLVRISA-N 480.525 -0.053 50 20 JBGD COC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CS(=O)(=O)N3CCCC3)C[C@@H]21 1791254669 PYUXWONNLICPSZ-VGWMRTNUSA-N 451.973 -0.355 50 20 JBGD Cc1nn(C)c(C)c1CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21 1791634113 OATGDSPRJJYFBH-YSSFQJQWSA-N 469.546 -0.129 50 20 JBGD CN(C)c1cncc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)c1 1794295514 YMADBZBYROVWEG-CCWDJLKJSA-N 453.503 -0.337 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc(C)c(C)[nH]c1=O 1794309433 VWTRNHRLMHNCIE-XWUQVXLGSA-N 469.502 -0.276 50 20 JBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnn3cccc(F)c13)C2 1797754027 PITRMMTYJDAWSC-IVWMJMPLSA-N 467.461 -0.011 50 20 JBGD COc1ccnc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)c1OC 1798767322 PGAZWJYKEDGIHX-FVCICTRLSA-N 470.486 -0.386 50 20 JBGD CN(CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCOC1)C2)NC(=O)NCc1ccccc1 1799099301 UAJHYOPTGWFXES-WERVVEIQSA-N 459.547 -0.041 50 20 JBGD CCC(=O)N[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1803431735 WMWRGSXYVBLTDX-FQELHTAISA-N 452.320 -0.004 50 20 JBGD O=C(CCN1C(=O)C=CC1=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1803916313 LYLRMCNZFREWME-JPYJTQIMSA-N 476.298 -0.604 50 20 JBGD COC[C@H](Cl)C(=O)N1CC[C@H](CNC(=O)c2cc(=O)n3[nH]nnc3n2)[C@H]1c1cccnc1 1807948249 APBQZBXHSKCSNX-DVOMOZLQSA-N 460.882 -0.219 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)n2)[C@@H]1c1cccnc1 1810302928 NSGAKTOBIMEAJK-SCLBCKFNSA-N 478.469 -0.085 50 20 JBGD CCOC(=O)N[C@H](O)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 1828760141 SWKBHGJUKXBTKB-RTBURBONSA-N 461.324 -0.336 50 20 JBGD COc1nccnc1C(=O)N1CCO[C@@]2(COCCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C2)C1 1833506028 RIBWNQXEXLEBRS-QVGKIPNLSA-N 485.501 -0.311 50 20 JBGD Cc1nnc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)s1 1835935665 YOFYRTUAHSHVMZ-NRFANRHFSA-N 474.348 -0.771 50 20 JBGD O=C(CCc1cnc2[nH]ccc2c1)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835939943 PTXWCKSFVSOOAQ-VWLOTQADSA-N 492.341 -0.055 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cn3cccnc3n1)CCO2 1836896522 WXWKQSPDRZFTIZ-OAQYLSRUSA-N 459.507 -0.828 50 20 JBGD Cc1cnc2c(C(=O)N3CCOC[C@]4(CN(C(=O)c5cnccc5C(=O)NN)CCO4)C3)cnn2c1 1837459167 KYIYZPIVPJQHIL-HSZRJFAPSA-N 494.512 -0.580 50 20 JBGD Cc1cc(/C=C/C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)no1 1837553805 JJDOJABSCDHBSH-XYXUZSOXSA-N 455.276 -0.554 50 20 JBGD CC(C)[C@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)CN(C)NC(=O)NCc3ccccc3)CCO2)C1 1839054124 IBSJVCGWOLCIPY-XUZZJYLKSA-N 491.589 -0.194 50 20 JBGD CCOC(=O)O[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1839685843 CUTLNLHSENKPPS-MGPUTAFESA-N 458.512 -0.623 50 20 JBGD COC(=O)[C@@H]1CCC[C@H](C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)C1 1840145634 MLCVXSXSENLKHL-GLDPYIMESA-N 488.346 -0.584 50 20 JBGD CC(=O)Nc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)o1 1840185968 XYDHWYHCOODRKN-OAQYLSRUSA-N 465.507 -0.319 50 20 JBGD CCOC(CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1)OCC 1840281040 VAKFGTFXANFCJG-JOCHJYFZSA-N 464.324 -0.774 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)[C@H]2CCc3nc(O)nc(O)c3C2)C1 1842058758 CYODNAFWQKFLNN-LBPRGKRZSA-N 467.486 -0.492 50 20 JBGD Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NNC(=O)N[C@H]3CCS(=O)(=O)C3)C2)cc1 915880271 DEYORZJDUDCNLI-GJZGRUSLSA-N 458.562 -0.087 50 20 JBGD Cc1cccc(N2CCN(S(=O)(=O)CC(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)CC2)c1 919838933 VHFHXJYADNACEQ-UHFFFAOYSA-N 484.542 -0.116 50 20 JBGD C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnccc2C(=O)NN)C1 1779371310 NIMRNYYTACKZQT-FJIKSPBJSA-N 470.530 -0.329 50 20 JBGD O=C(CN(CCO)CCO)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](F)Br)C2 1781838409 GBOWAMSQEPGUTC-FRFSOERESA-N 454.337 -0.523 50 20 JBGD CN1CCN(CCC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CCC(=O)NN(C)C)C2)CC1 1782210775 KAQVDRIPGLPKCH-AUSIDOKSSA-N 466.627 -0.489 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cnc(O)nc1O)C2 1782212096 UTSFMZVVDYMTMB-JLTOFOAXSA-N 450.496 -0.612 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](F)Br)C[C@@H]21)c1cc(=O)n2[nH]cnc2n1 1786979268 UGYKCEVMKTYUKP-PZEZNAACSA-N 457.260 -0.299 50 20 JBGD C[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)n1ccccc1=O 1788748730 ZPGPECSGZNYOOL-UHMOLFJZSA-N 453.304 -0.617 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN(C)C(=O)C(=O)O)C2 1798523191 VSFDMJLIXUMNOE-IVWMJMPLSA-N 492.441 -0.734 50 20 JBGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCc3nc(O)nc(O)c3C1)C2 1800974131 MKNXCIXIZFLSDT-APLFDDQLSA-N 454.911 -0.164 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCC([C@H]2CCCCN2C(=O)C[C@H]2NC(=O)NC2=O)CC1 1825077091 LCEOCTAHIPZVKO-HZPDHXFCSA-N 450.540 -0.423 50 20 JBGD O=C(c1cc(=O)n2[nH]cnc2n1)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827051502 ZKRAVHLCTUEKTH-IBGZPJMESA-N 478.318 -0.356 50 20 JBGD O=C(C(O)O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@H](O)CCl)C2)C1 1828521164 VUZBRUMTHLQFGC-QRWLVFNGSA-N 455.895 -0.651 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCc3ccccc3[C@H]1O)CCO2 1830821299 DCKZEYAHLJTAKO-PLXFJCCSSA-N 494.353 -0.268 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1)c1cc(O)nc(O)n1 1835075819 RCAFEXNBJAPUSO-UHFFFAOYSA-N 469.307 -0.933 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CNc3ccccc31)CCO2 1835715313 NEVYHBFKSOJYDO-NTKDMRAZSA-N 480.525 -0.036 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC1CCN(C2CCN(C(=O)[C@H](N)c3ccccn3)CC2)CC1 1835736984 OSVOJWUKLLFVLK-OAQYLSRUSA-N 480.573 -0.035 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC1CCN(C2CCN(C(=O)c3nc[nH]c3[N+](=O)[O-])CC2)CC1 1835737022 RHERBZOUNOGRMA-UHFFFAOYSA-N 485.505 -0.185 50 20 JBGD Cc1c(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)nc2ccccn12 1835928677 UXYIFUFBGIYNEV-DEOSSOPVSA-N 478.314 -0.294 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)c3cn4cc(F)ccc4n3)C2)C1 1835937154 QKVWEWLUCLCISN-HSZRJFAPSA-N 482.277 -0.463 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(CN(C(=O)c3cn4cccnc4n3)CCO2)C1 1836890158 SDZKEEQHQDINLL-JOCHJYFZSA-N 480.485 -0.888 50 20 JBGD Cc1nc[nH]c1CSCC(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1837332916 KRGMTKGHQZGDEA-NRFANRHFSA-N 482.607 -0.219 50 20 JBGD C[C@H](Br)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)N1CCN(C)CC1)CCO2 1839104745 JGKIXKIQSWSPJT-FRQCXROJSA-N 461.401 -0.138 50 20 JBGD CC[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4n(n3)CCNC4=O)C2)C1 1839963129 AQLTUIUOOUPDCB-BFUOFWGJSA-N 484.351 -0.130 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)C3(Br)CC3)C2)C1 1840184934 GIIJXBUTGHFZKJ-KRWDZBQOSA-N 461.357 -0.257 50 20 JBGD NS(=O)(=O)c1cc(C(=O)NNC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)ccc1Cl 15759116 CCAICXOLOQTKHP-UHFFFAOYSA-N 459.893 -0.754 50 20 JBGD C#CCNS(=O)(=O)c1ccc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc1 26745939 UZCMNIIFQPQVMN-UHFFFAOYSA-N 464.525 -0.077 50 20 JBGD NS(=O)(=O)c1ccc(CC(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)s1 728324312 SVUGQCYTXWIQIW-ZDUSSCGKSA-N 455.470 -0.531 50 20 JBGD O=C(NNC(=O)c1cc(O)nc2ccc(S(=O)(=O)N3CCOCC3)cc12)C(=O)N1CCCC1 748247494 OQRRJKNVUPTPON-UHFFFAOYSA-N 477.499 -0.655 50 20 JBGD Cc1cc(NC(=O)CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cccc(B(O)O)c2)C3)no1 1778074351 DKKRTXOVQYZKMF-WZONZLPQSA-N 484.318 -0.181 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)c3[nH]cnc3-c3cccnc3)C2)C1 1780051985 CJJLJFOHDPLSGL-QHCPKHFHSA-N 461.287 -0.091 50 20 JBGD C[C@@H](NC=O)C(=O)N1CCO[C@@]2(CCN(C(=O)CN(C)NC(=O)NCc3ccccc3)C2)C1 1780968171 GIJKCLNRFBNGDI-VGOFRKELSA-N 460.535 -0.703 50 20 JBGD CC(C)(C)OC(=O)NCCOCC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1781201301 FMPPVXUIOYPOIC-QHCPKHFHSA-N 491.350 -0.649 50 20 JBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2)c1nc2ccc(F)cn2n1 1781433491 JEMCPDDWRNKGGT-WZONZLPQSA-N 481.293 -0.011 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CC(c3ccccc3)=NN1)CCO2 1783936355 GPFSSUWQIFIASH-CVDCTZTESA-N 456.547 -0.045 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@]2(CCN(C(=O)CSc3nc[nH]n3)C2)C1 1784389741 JPJQGAXMBDYUFN-QMFLXTPQSA-N 460.520 -0.139 50 20 JBGD Cn1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)c(C(F)F)n1 1786979762 FGIZTWPMZKJBOE-QRTARXTBSA-N 462.262 -0.055 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(=O)OC(C)(C)C)[C@H]2C1 1790991805 YNAIVCCFPAZLQJ-JYJNAYRXSA-N 455.556 -0.136 50 20 JBGD CC(C)(C)OC(=O)N1CC[C@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797748503 FPGUBBWJCNNQTN-DACLVMHWSA-N 488.545 -0.102 50 20 JBGD Cc1cc(NC(=O)CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)no1 1797750781 PWGLZHNIWYPZEN-DBWKPXFBSA-N 471.474 -0.786 50 20 JBGD CN(CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1ccnn1)C2)NC(=O)NCc1ccccc1 1799095022 QCSWNPHQNZAWSQ-RMFSNUHRSA-N 470.534 -0.786 50 20 JBGD COc1nn(C)cc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN(C)NC(=O)NCc1ccccc1 1799095028 QWXFSTMSBRHPTM-RMFSNUHRSA-N 499.572 -0.022 50 20 JBGD CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1800783671 MDRLLAUDGGQHDL-PIKOESSRSA-N 487.362 -0.031 50 20 JBGD CN(CC(=O)N1CC[C@@H](CNC(=O)[C@@H](N)CN)[C@H]1c1cccnc1)NC(=O)NCc1ccccc1 1808266126 DMMVOUQPUMESIT-JAXLGGSGSA-N 482.589 -0.280 50 20 JBGD NNC(=O)c1ccncc1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc3n(n1)CCNC3=O)CC2 1819796013 XVSRNIFLIRUNHP-JTQLQIEISA-N 495.525 -0.379 50 20 JBGD C[C@@H](C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cccc(B(O)O)c1)CC2)N1CCN(C)CC1 1822685808 WGYAXKVRCHLGEW-WMLDXEAASA-N 471.392 -0.315 50 20 JBGD CC(C)(C)OC(=O)N[C@H](CCO)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](O)CCl)CCO2)C1 1830719814 LIKDPADNCBMBBE-STXHMFSFSA-N 479.958 -0.682 50 20 JBGD CC[C@H](NC(C)=O)C(=O)NC1CCN(C2CCN(C(=O)c3cnccc3C(=O)NN)CC2)CC1 1833097474 BNUOAARWEDKEAT-FQEVSTJZSA-N 473.578 -0.215 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCC(N2CCC(NC(=O)[C@H]3CCC(=O)NC3)CC2)CC1 1833121965 AFIVWWCUAKVVFX-INIZCTEOSA-N 450.584 -0.543 50 20 JBGD CC(C)(C)n1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)n1 1833585954 ZHIYELTXCJXBQV-HSZRJFAPSA-N 470.335 -0.298 50 20 JBGD C[C@H](Nc1cccnc1)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835935785 QYWHKZUFOVZRPU-SBUREZEXSA-N 468.319 -0.668 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc4c[nH]nc34)C2)C1 1837457935 XELFZDFILRPAKI-QHCPKHFHSA-N 479.497 -0.055 50 20 JBGD C[C@](Cl)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(=O)n4[nH]cnc4n3)C2)C1 1839151923 IGHLTFSDUBHQSK-ZWKOTPCHSA-N 473.317 -0.276 50 20 JBGD C[C@H](NC(=O)c1cnccn1)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](F)Br)CCO2)C1 1839200576 MMTZAOIGCXHOLF-WPKBUWHJSA-N 488.314 -0.258 50 20 JBGD O=C(C(O)O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](Br)Cc1ccccc1)CCO2 1839801526 OUOCAVHEJLBEDO-HNAYVOBHSA-N 457.321 -0.240 50 20 JBGD CC[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCN(C)CC3)C2)C1 1839965356 WNFPGVIXWUNRRV-VQIMIIECSA-N 461.401 -0.136 50 20 JBGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)N3CCN(C)CC3)C2)C1 1840034792 XJTMGBICBHQBOK-TXPKVOOTSA-N 461.401 -0.138 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc4c3NC(=O)C4)C2)C1 1840185574 UFLISFAHQSAKFH-HSZRJFAPSA-N 473.530 -0.376 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCCC12CN(C(=O)c1ccc(CS(C)(=O)=O)nc1)C2 1846384630 OVMYQGAOSCPYEN-UHFFFAOYSA-N 451.549 -0.184 50 20 JBGD NC(=O)c1ccc(S(=O)(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1 16726266 GZIPHVISOOBTLH-UHFFFAOYSA-N 468.513 -0.570 50 20 JBGD COCCn1cnc2c1c(=O)n(CC(=O)NNC(=O)c1cocn1)c(=O)n2Cc1ccccc1 729310362 ICDRBZQQGYMGSB-UHFFFAOYSA-N 467.442 -0.496 50 20 JBGD Cc1ccc(C(=O)NNC(=O)COC(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)cc1 914666132 LOSGULAHLANBLU-UHFFFAOYSA-N 474.495 -0.266 50 20 JBGD COc1cc2c(cc1OC)[C@@H](CC(=O)NNC(=O)NCCC(=O)N(C)C)N(S(C)(=O)=O)CC2 916623895 AODMATJFZYVYHJ-OAHLLOKOSA-N 485.563 -0.239 50 20 JBGD Cn1c(=O)n(CC(=O)N2CC[C@@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)c2ccccc21 1778166096 CUYGRXJYKDGYJI-XMMPIXPASA-N 493.524 -0.518 50 20 JBGD CC(C)(C)OC(=O)N1CC(C(=O)N2CCO[C@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)C1 1779031722 DUXZTJPTUNCUTO-QHCPKHFHSA-N 488.545 -0.005 50 20 JBGD N#Cc1ccc2[nH]nc(C(=O)N3CC[C@]4(CN(C(=O)c5ccc(B(O)O)cc5)CCO4)C3)c2c1 1782195538 FKOQPHJSYIKGCG-HSZRJFAPSA-N 459.271 -0.128 50 20 JBGD C[C@H](CBr)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1783968609 YKQNVLMFDLRNGR-QCPWZWHMSA-N 453.142 -0.009 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(-n4cccn4)nc3)C[C@@H]21)c1ccc(B(O)O)cc1 1786980995 JJABNWVWEZNAIP-JBACZVJFSA-N 475.314 -0.146 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1ccc2c(n1)OCCO2 1787381328 WZUSPBXEUOWCDV-KNBMTAEXSA-N 467.287 -0.560 50 20 JBGD C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21)[C@H]1SC(=N)NC1=O 1787496553 YJMBQIYBELMUNI-RLYLYKIYSA-N 489.558 -0.919 50 20 JBGD COC(=O)C12CC(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]4C3)(C1)C2 1791293362 ZKACEZMJCXURIJ-POHMFUSSSA-N 450.536 -0.318 50 20 JBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](CCO)NC(=O)OC(C)(C)C)C2 1801010689 QEZMESQQIOMMDX-RCJHGTSTSA-N 485.582 -0.775 50 20 JBGD O=C(CN1CCOC1=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1803334491 KKKCUQVHZJPHKY-XLIONFOSSA-N 452.276 -0.467 50 20 JBGD CN(CC(=O)N1CC[C@@H](CNC(=O)[C@@H](N)CN)[C@@H]1c1cccnc1)NC(=O)NCc1ccccc1 1808266127 DMMVOUQPUMESIT-ONTIZHBOSA-N 482.589 -0.280 50 20 JBGD CCOC(=O)N[C@H](O)C(=O)NC[C@@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1810097676 YDROMIDTKJXEQO-GZRFBZBPSA-N 485.501 -0.536 50 20 JBGD COC[C@H](NC(C)=O)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815360824 OHDIBEXIOULRGI-ZBFHGGJFSA-N 460.321 -0.800 50 20 JBGD O=C(N[C@H]1CCc2nc(NC(=O)c3cc4n(n3)CCCNC4=O)sc2C1)c1cccc(B(O)O)c1 1818913256 HWVOFVAVVFIUFS-AWEZNQCLSA-N 494.342 -0.308 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](O)N2CCOCC2)CC1 1828968401 PZUOHUVNQPBDPD-SIKLNZKXSA-N 474.562 -0.431 50 20 JBGD CC(C)(C)OC(=O)N1CCO[C@H](C(=O)N2CCOC[C@]3(CN(C(=O)[C@H](O)CCl)CCO3)C2)C1 1830719795 KORFEBYEYXBFPD-XFQAVAEZSA-N 491.969 -0.322 50 20 JBGD NC(=O)c1ncccc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1833315229 PFGYBDCPEUGAEL-CXAGYDPISA-N 459.272 -0.059 50 20 JBGD CC[S@](=O)CCC(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834798686 XZISVVLOERNHQM-YTTGMZPUSA-N 463.409 -0.290 50 20 JBGD CC(C)c1nc(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)co1 1835927027 BTFKWWIDNNEKAK-QFIPXVFZSA-N 457.292 -0.138 50 20 JBGD O=C(CSc1ccncc1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835927218 MLLCSIGKBAMHHK-QFIPXVFZSA-N 471.344 -0.376 50 20 JBGD O=C(c1cnc2snnc2c1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835930940 APFXXPUOEGLHRZ-OAQYLSRUSA-N 483.315 -0.850 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)c3cc(-c4cccnc4)[nH]n3)C2)C1 1835938115 MDKURJDAABTGBO-DEOSSOPVSA-N 491.313 -0.465 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cncn3)CCO2)C1 1836135978 HWGIIGOZLFACDG-NRFANRHFSA-N 488.457 -0.118 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)N3CCCC3)C2)C1 1837456148 JNDJQJWAWSCJAI-QHCPKHFHSA-N 488.545 -0.842 50 20 JBGD C[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1)N1CSCSC1 1837573862 IAVUTSBOXVLIAV-OXJNMPFZSA-N 489.664 -0.141 50 20 JBGD COC[C@H](NC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)CBr)C2)C1 1837727445 KUHWEGOWYHSGLX-QIIPPGSGSA-N 464.357 -0.375 50 20 JBGD O=C(CNC(=O)c1ccco1)NNC(=O)CNS(=O)(=O)c1ccc2c(c1)OCCCO2 725901989 DMWLARIFPGQGSZ-UHFFFAOYSA-N 452.445 -0.703 50 20 JBGD C=CCNC(=S)NNC(=O)[C@H](CCC(N)=O)NS(=O)(=O)c1ccc2c(c1)OCCO2 768266005 YWTPSBMCMMOXLZ-LBPRGKRZSA-N 457.534 -0.949 50 20 JBGD Cc1nc2ncccn2c1C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779032009 JWUHYZPOIPACFH-JOCHJYFZSA-N 464.486 -0.206 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21 1784195447 YNRIOQQMCAROOZ-GVRJEKJASA-N 463.959 -0.159 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(-n3cncn3)c1)C2)c1cccc(B(O)O)c1 1795740536 FRFNYRLXPPJMDG-RMFSNUHRSA-N 461.287 -0.536 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1 1796189272 SBJCZDYHIYLSQC-ZHPMUERVSA-N 451.292 -0.248 50 20 JBGD COCCn1nccc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C(C)=N/NC(=O)c1ccc[nH]1 1796440235 JGOJJNPOEIKURC-LLJCUJCISA-N 471.518 -0.133 50 20 JBGD CC(=O)Nc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)ccn1 1796745039 DCJWPZIHYQRRNH-XEMDLRDOSA-N 452.276 -0.763 50 20 JBGD CCOc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)nn1 1797752950 NOUYBTXOADZVNM-IVWMJMPLSA-N 455.475 -0.609 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1nc2cc([N+](=O)[O-])ccc2[nH]1 1799877175 KVPWCXHBFSXLIM-HBCWATKFSA-N 479.258 -0.332 50 20 JBGD C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1802482523 NSLNNBGPYAOCLD-UEAAHPPJSA-N 462.315 -0.061 50 20 JBGD CN1CCN(C2(C(=O)N3CC[C@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3c3cccnc3)CC2)CC1 1807373191 OUVLKYFFOWKIHM-FYYLOGMGSA-N 491.401 -0.139 50 20 JBGD CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CCC2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)CC1 1809978372 BJSNEZQHFBKHQM-HXUWFJFHSA-N 474.319 -0.294 50 20 JBGD CCNC(=S)NCC(=O)NC[C@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1812333952 VCANFOXSJZLLKK-OXQOHEQNSA-N 463.608 -0.056 50 20 JBGD COC[C@H](NC(C)=O)C(=O)N1CC[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1813072148 ASSWXFHSRZYINA-WFXMLNOXSA-N 462.551 -0.389 50 20 JBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1CCc2nc(NC(=O)CN3CCCC3=O)sc2C1 1814597725 ZELFKOSSCGQAPN-LLVKDONJSA-N 457.516 -0.010 50 20 JBGD C[C@H](NNc1ccccc1)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1829809442 VVMYHIUXGQUWNO-BXKMTCNYSA-N 497.556 -0.240 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCC([C@@H]2CCCCN2C(=O)Cn2ccncc2=O)CC1 1831103695 FHXGJPCJNLCUBK-FQEVSTJZSA-N 452.320 -0.143 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c[nH]c(=O)cn3)C2)C1 1832549010 ARJVTMFMLVNHAI-LHSJRXKWSA-N 499.952 -0.028 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCC(N2CCC(NC(=O)c3cccn(C)c3=O)CC2)CC1 1833586290 RQNNEMJBFXDBRB-UHFFFAOYSA-N 460.579 -0.057 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)CNC(=O)C(F)(F)F)CC2)CC1)c1ccc(B(O)O)cc1 1834799248 SLSVVVCEZZLYRU-UHFFFAOYSA-N 484.284 -0.770 50 20 JBGD C[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3n[nH]c4c3CS(=O)(=O)C4)CCO2)C1 1836260394 VYKUFRJMMOWQIC-PIGZYNQJSA-N 491.364 -0.309 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(O)ccc1F)CCO2 1839294925 RXZBPTYDVNQWGJ-JOCHJYFZSA-N 458.251 -0.405 50 20 JBGD CC(=O)N/C(=C\c1ccco1)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1839390799 JUMPDALPSWTMBR-FMTUWFKASA-N 491.545 -0.414 50 20 JBGD CC(C)(C)OC(=O)N1CC[C@H](C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2cccc(B(O)O)c2)[C@H](O)C1 1847233666 BSLXYJLMQZDPIE-LWYYNNOASA-N 487.362 -0.200 50 20 JBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1 729275341 NQUVUWGLEYNVJW-VIFPVBQESA-N 471.355 -0.845 50 20 JBGD CCn1cnc2c1c(=O)n(CC(=O)NNC(=O)CN1CCCCC1=O)c(=O)n2Cc1ccccc1 729310566 PFXCKWHWEWHHTL-UHFFFAOYSA-N 481.513 -0.412 50 20 JBGD CCN=c1nc(NCC)n2c(SCC(=O)NNC(=O)[C@H]3COc4ccccc4O3)n[nH]c2n1 794536099 ZGIIWVJQCINONV-CYBMUJFWSA-N 473.519 -0.116 50 20 JBGD O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 919884301 HSZZXQDYZDNKOQ-CYBMUJFWSA-N 471.561 -0.197 50 20 JBGD C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)NNC(=O)N[C@H]3CCS(=O)(=O)C3)cc2)C[C@@H](C)O1 919884587 IFPNEISAXLFRCX-GUTXKFCHSA-N 474.561 -0.384 50 20 JBGD CSCC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 919885596 MXZKWZZPVBSBHM-GXTWGEPZSA-N 464.591 -0.396 50 20 JBGD CCN(CC)S(=O)(=O)c1ccc(OC)c(C(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)c1 919886007 OWBUDHWNIJELGA-LBPRGKRZSA-N 462.550 -0.143 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)c3ccc4c(n3)NC(=O)CC4)CCO2)C1 1779030213 KDRRQZHRODAKMD-QHCPKHFHSA-N 479.497 -0.278 50 20 JBGD CCNC(=O)N[C@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2 1779318016 VASLMDCCJLKXGN-YBOAYWMSSA-N 460.340 -0.799 50 20 JBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2)c1ccnc2c1OCO2 1780022817 JHDXSSNIPJRSBK-WZONZLPQSA-N 467.287 -0.069 50 20 JBGD CN(CC(=O)N1CCO[C@@]2(CCN(C(=O)Cn3nccn3)C2)C1)NC(=O)NCc1ccccc1 1781420204 BOWFCDREMWSZRK-JOCHJYFZSA-N 470.534 -0.546 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)COC(=O)C(F)(F)F)C2 1782215162 UVZPUPVZUZHKCB-FZKQIMNGSA-N 466.457 -0.021 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc4c(=O)[nH]c5ccccc5n4n3)C[C@@H]21)[C@H](O)CCl 1784093287 SXRAWCBMZYMUAE-RKLWJJNISA-N 474.905 -0.236 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](CCN)NC(=O)OC(C)(C)C)[C@H]2C1 1786847379 XXBBNBNIOHAXRL-FJIDUMEYSA-N 498.625 -0.419 50 20 JBGD COCCn1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)n1 1786983028 LHXXPRXXSVYGKM-QRFRQXIXSA-N 456.308 -0.884 50 20 JBGD C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C(C)=N/NC(=O)c1ccc[nH]1 1796440347 SRISHXXEECZLBB-NWGUGSGESA-N 456.503 -0.432 50 20 JBGD CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnccc1C(=O)NN 1798443502 CTXLLKQCHVWFBA-PSFFPDNBSA-N 468.518 -0.593 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)C1CCN(c2ccccn2)CC1 1799088898 PXNCMSFXEACKOR-JHDGKUDLSA-N 478.358 -0.119 50 20 JBGD Cc1cccc(C)c1NC(=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1799280897 ZVPIUGNSDMWGPN-RMFSNUHRSA-N 465.315 -0.175 50 20 JBGD O=C(CN1CCS(=O)(=O)CC1)NC[C@@H]1CCN(C(=O)[C@@H](O)CCl)[C@H]1c1cccnc1 1804193121 UIVMHKJSMOYHEF-BQFCYCMXSA-N 458.968 -0.583 50 20 JBGD CC[C@H](NC(N)=O)C(=O)N1CC[C@@H](CNC(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1810303898 WAQMAKNUXDAXNM-JCGIZDLHSA-N 468.518 -0.153 50 20 JBGD Cn1c(=O)c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)nc2ccccc21 1830727874 IWFVWOROVDCTCE-HRAATJIYSA-N 464.906 -0.397 50 20 JBGD Cc1nnc(CC(=O)N2CCC(N3CCC(NC(=O)c4ccc(B(O)O)cc4)CC3)CC2)s1 1834797958 PRANIHSPIMSYOG-UHFFFAOYSA-N 471.392 -0.046 50 20 JBGD O=C(C[C@H]1COc2ccccc2O1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835926951 AFFUEMKBQRNECN-NBGIEHNGSA-N 496.325 -0.334 50 20 JBGD O=C(Cc1cccnc1Cl)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835927579 UJJGNCZZSIXPHL-JOCHJYFZSA-N 473.722 -0.273 50 20 JBGD O=Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)s1 1835943502 QFDAXHLSQYCYEI-OAQYLSRUSA-N 458.301 -0.376 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CCOC[C@]2(CN(C(=O)C3=NNC(=O)C3)CCO2)C1 1837358200 VDLRENCNXAUMSF-VBKZILBWSA-N 487.941 -0.549 50 20 JBGD N#Cc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)cc1 1837455627 ARGHAENZZCNNPP-DEOSSOPVSA-N 478.509 -0.131 50 20 JBGD C[Si](C)(C)OCC(=O)N1CCO[C@@]2(COCCN(C(=O)CNCP(=O)(O)O)C2)C1 1837711864 UMRYKWSUAXEOKO-MRXNPFEDSA-N 453.505 -0.981 50 20 JBGD CCNC(=S)NCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1839655079 DCLVSNJJRKTXCL-IUODEOHRSA-N 455.350 -0.383 50 20 JBGD O=C(c1ccc(N2CCOCC2)cn1)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843010755 ZNEIBDOAMXPXLU-UHFFFAOYSA-N 450.304 -0.271 50 20 JBGD CN(CC(=O)N1CCCC12CN(C(=O)CN1C(=O)CNC1=O)C2)NC(=O)NCc1ccccc1 1845038238 IGLPGKZCNDBACO-UHFFFAOYSA-N 471.518 -0.912 50 20 JBGD CC(C)(C)OC(=O)N1CCN(CC(=O)N2CCCC23CN(C(=O)[C@H](O)CCl)C3)C(=O)C1 1847121929 RTXGOECNEHYGCO-CQSZACIVSA-N 458.943 -0.131 50 20 JBGD CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)NNC(=O)CNC(=O)c2ccco2)c1 751207096 RKWJSEYVRBWBHM-UHFFFAOYSA-N 479.515 -0.443 50 20 JBGD COCCN1C(=O)c2ccc(C(=O)NNC(=O)c3cccc(S(C)(=O)=O)c3)cc2S1(=O)=O 917108282 COFMRNWFDWFCTC-UHFFFAOYSA-N 481.508 -0.044 50 20 JBGD COC(=O)NCC(=O)NNC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1S(C)(=O)=O 919744622 ONWGWUVVZKHXST-CYBMUJFWSA-N 458.493 -0.544 50 20 JBGD CCN(CC)C(=O)CNC(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 920814101 QMDOGECWPVJCIR-UHFFFAOYSA-N 469.564 -0.161 50 20 JBGD CS(=O)(=O)c1ccc(Br)c(C(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)c1 1318503709 RJIWURLHYAFIDF-MRVPVSSYSA-N 454.324 -0.016 50 20 JBGD CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]2C1 1784092559 KDEXCZSMPHVUKC-QXKUPLGCSA-N 463.959 -0.159 50 20 JBGD COC[C@H](Cl)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@@H](N)CN)C2)C1 1829341201 YGNBKMNOUWEYJR-NPPFBWRTSA-N 481.981 -0.022 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC1CCN(C2CCN(C(=O)CNC(=O)C(F)(F)F)CC2)CC1 1835738263 QFGAWFAVIFVOLT-UHFFFAOYSA-N 499.494 -0.451 50 20 JBGD NC[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1)c1ccccc1 1835811631 JSXHNWUHMIIQFU-ZJSXRUAMSA-N 467.331 -0.821 50 20 JBGD O=C(c1ccnc(Cl)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835929529 UIANDAXXYARQFV-OAQYLSRUSA-N 459.695 -0.201 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCC(N2CCC(NC(=O)c3cc(O)no3)CC2)CC1 1835975521 LEHFVXCKFDIQQE-UHFFFAOYSA-N 457.491 -0.122 50 20 JBGD O=C(CCBr)N1CCOC[C@@]2(C1)CN(C(=O)CS(=O)(=O)N1CCCC1)CCO2 1836516504 CSIGDPNHMRMYHR-QGZVFWFLSA-N 482.397 -0.347 50 20 JBGD O=C([C@H]1C[C@@]12C(=O)Nc1ccccc12)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1840016394 CAIYMEKYVLXVJY-HKHXBQBMSA-N 463.918 -0.048 50 20 JBGD COC(=O)[C@@H]1CCC[C@@H](C(=O)N2CCOC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)C1 1840184693 BESRJFCDDOTHHA-PNCHPQGNSA-N 482.578 -0.205 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCc3nc[nH]c3C1)CCO2 1840365416 JSMLPLRPFOTEKS-OPAMFIHVSA-N 462.551 -0.656 50 20 JBGD CC(C)(C)OC(=O)N1C[C@H](C(=O)N2CC3(CCCN3C(=O)c3cccc(B(O)O)c3)C2)[C@@H](O)C1 1843014515 RSVQIFPEHMWZLR-ROUUACIJSA-N 473.335 -0.589 50 20 JBGD CC(C)(C)OC(=O)N[C@@]1(C(=O)N2CCCC23CN(C(=O)c2cccc(B(O)O)c2)C3)CCOC1 1845207768 PAKLIBLQXFEINP-QHCPKHFHSA-N 473.335 -0.133 50 20 JBGD O=C(CCCCCNS(=O)(=O)c1ccc2c(c1)OCCO2)NNC(=O)C(=O)NC1CC1 10215887 KVASJAACBMTUAA-UHFFFAOYSA-N 454.505 -0.278 50 20 JBGD COc1ccccc1OCC(=O)NNC(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C 16232954 YLWYHPBBLIUIDB-UHFFFAOYSA-N 452.489 -0.105 50 20 JBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NCC(=O)N(C)CCc3ccccn3)nc2)CC1 727608145 MSGMJVKRTQQJNI-UHFFFAOYSA-N 490.590 -0.260 50 20 JBGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccc(Cl)c(S(=O)(=O)NC[C@@H]2CCCO2)c1 818853374 JNQCDBJEMUFBJZ-OLZOCXBDSA-N 479.964 -0.007 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2n[nH]cc2[N+](=O)[O-])C1 1779606312 NHKWHYBSLZGMCV-AUUYWEPGSA-N 451.484 -0.182 50 20 JBGD C[C@H](CC(N)=O)C(=O)N1CCO[C@]2(CCN(C(=O)CN(C)NC(=O)NCc3ccccc3)C2)C1 1780969444 MCGSTRRMWQAMSQ-HXOBKFHXSA-N 474.562 -0.326 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cnncc1C(=O)O)C2 1782212372 XYKHQZPHZKAHOR-IIBYNOLFSA-N 462.507 -0.325 50 20 JBGD COCCOCCOCCOCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](Cl)COC)CCO2 1783687636 WDAVQTVEAOMWPS-XLIONFOSSA-N 466.959 -0.234 50 20 JBGD CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]2C1 1784092875 NOWCILRVQGTUHN-GVRJEKJASA-N 463.959 -0.159 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(-n4ccnc4)ccn3)C[C@@H]21)c1cccc(B(O)O)c1 1786984776 IGBDIOXLXWMCRI-XJABCFGWSA-N 475.314 -0.146 50 20 JBGD COc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)c(C#N)c1 1795735040 LDFPOBUYEXAJHG-BBIADKPPSA-N 463.299 -0.307 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(-c3cccnc3)[nH]n1)C2)c1cccc(B(O)O)c1 1795740186 BDIUJYXTJHIUHE-UPHUGPLXSA-N 461.287 -0.332 50 20 JBGD COCCOCCOCCOCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1 1796189340 AMHGWQJZMAWDIS-KOUNCHBCSA-N 492.378 -0.296 50 20 JBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc3ncnn3c1)C2 1797752802 IGFJKDIBSISWAG-YVWYUNDQSA-N 464.486 -0.826 50 20 JBGD CN(CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc[nH]n1)C2)NC(=O)NCc1ccccc1 1799094917 JXJOCPVZZPFHNJ-XEMDLRDOSA-N 455.519 -0.041 50 20 JBGD CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1800784037 XKGFLOPGOATRIQ-HNJRGHQBSA-N 487.362 -0.031 50 20 JBGD COC(=O)[C@H]1CCC[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(=O)NN(C)C)C3)C1 1800966877 KAFXGZYBYVJFPN-ZTTBQOKTSA-N 452.552 -0.072 50 20 JBGD COC(=O)CSCC(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807365992 REEZZODDZJZMKW-LAUBAEHRSA-N 471.344 -0.013 50 20 JBGD CC(=O)N[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1)C(C)(C)C 1831093132 FKXWQPOUQCBGLU-DENIHFKCSA-N 469.583 -0.633 50 20 JBGD COC[C@H](NC(C)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)CCBr)CCO2)C1 1834823383 QZGVVUCKXXWFIE-WMLDXEAASA-N 450.330 -0.621 50 20 JBGD CCS(=O)(=O)CC(=O)N1CCC(OC2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1836846726 NIYIDLLHGJXROV-UHFFFAOYSA-N 466.365 -0.587 50 20 JBGD CCOC(=O)N[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1837209541 SLMBOFVEVVPNKD-HFAKWTLXSA-N 456.265 -0.802 50 20 JBGD CC[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1)N(CC)CC 1837455726 FMDAHSCPWDOYKX-XXBNENTESA-N 476.578 -0.125 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccn4ccnc4c3)C2)C1 1837459774 XHYBJBZCNCNPAV-HSZRJFAPSA-N 479.497 -0.283 50 20 JBGD CN1C(=O)CC[C@H]1C(=O)N1CCC(OC2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1837920143 MYAJPHYSKAFCGU-FQEVSTJZSA-N 457.336 -0.401 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(CO)o1)CCO2 1837967282 UWQFDMPEPHYYIJ-NMWDDECMSA-N 473.486 -0.024 50 20 JBGD CC(C)(C)OC(=O)N[C@]1(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)CCOC1 1839191286 CLIBXUIZDMHRGB-IPHXSNPTSA-N 491.969 -0.274 50 20 JBGD COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1840141563 KYABWNLSSVBFPY-DCLXLUIPSA-N 486.330 -0.808 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1840182478 DQKYGZZAUFICEP-QHCPKHFHSA-N 457.531 -0.070 50 20 JBGD COc1nccc(C(=O)N2CCOC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)c1F 1840183820 BSTVLKZYZBYVNC-NRFANRHFSA-N 467.498 -0.328 50 20 JBGD Cc1nccn1[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1840491669 ZEGYQVDGMRYKPR-OPAMFIHVSA-N 456.308 -0.797 50 20 JBGD CC(C)(C)OC(=O)N1CC2(CC(C(=O)N3CC4(CCCN4C(=O)c4cccc(B(O)O)c4)C3)=NO2)C1 1843014909 ONXJAOHWRZRZBR-UHFFFAOYSA-N 498.345 -0.051 50 20 JBGD COc1cc(Br)c(S(=O)(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc1OC 728510345 XHCXFKLRVNGALV-SSDOTTSWSA-N 460.328 -0.287 50 20 JBGD COc1ccc(C(=O)NNC(=O)CNC(=O)c2ccco2)cc1S(=O)(=O)N1CCOCC1 751211612 JCECUMKZUGPWAC-UHFFFAOYSA-N 466.472 -0.500 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1nccnc1C(N)=O)C2 1778092996 YHUYBIILAUJOPJ-XSJBQUJOSA-N 496.528 -0.163 50 20 JBGD O=C1CN(c2cccc(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)[C@@H](O)CCl)C[C@@H]43)n2)CCCN1 1785783853 IRNZNARKHYCPAG-LAQRGFTBSA-N 479.965 -0.399 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3cnc4ccccn34)C[C@@H]21)c1cccc(B(O)O)c1 1786983309 LXRPRNDDILYFHD-YYWHXJBOSA-N 462.315 -0.150 50 20 JBGD C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21)[C@@H]1SC(=N)NC1=O 1787499143 VLWGVCFMKPEHIJ-DEEHTKSCSA-N 468.580 -0.858 50 20 JBGD CSCC[C@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1 1788609769 IPZHRYUASOHPQY-STECZYCISA-N 451.549 -0.608 50 20 JBGD CN(CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cncn1C)NC(=O)NCc1ccccc1 1794834336 FMJPKZIJWJSEOR-RMFSNUHRSA-N 469.546 -0.031 50 20 JBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(Cl)c2nncn2c1 1797691666 INBLOFWHQBQIPX-ZSBFGKGUSA-N 463.926 -0.041 50 20 JBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CC(c2ccccc2)=NN1 1800158404 QYWJDHHZJIMKOH-YZIUBNRHSA-N 456.547 -0.285 50 20 JBGD COC(=O)[C@H]1CC=CC[C@@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1800949983 BJOGUSNEIGKZFA-DLRXZHIHSA-N 456.304 -0.675 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1CCN(C(=O)c2c[nH]c(=O)cn2)[C@@H]1c1cccnc1 1810302068 FNHWOLMGOSPKCA-IFXJQAMLSA-N 462.470 -0.203 50 20 JBGD NNC(=O)c1ccncc1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H]1CCC(=O)NC1)CC2 1819790055 DQYQSUPFMMQKCI-MNOVXSKESA-N 457.516 -0.106 50 20 JBGD CN(C)c1cccc(OCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)c1 1835927185 KMOMMLSZXKBTMY-RUZDIDTESA-N 497.357 -0.419 50 20 JBGD O=C(CCc1cc(F)ccn1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835927528 RLQFEJOUNXJCHN-QHCPKHFHSA-N 471.294 -0.397 50 20 JBGD C[C@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3nc(N)n[nH]3)CCO2)C1 1837268357 KDYDVWOHGUCUOP-SJKOYZFVSA-N 459.345 -0.193 50 20 JBGD CCc1nc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)co1 1837459404 OCXFZNCNQPAFMB-OAQYLSRUSA-N 458.475 -0.381 50 20 JBGD Cc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cnccc4C(=O)NN)CCO3)C2)n(C(F)F)n1 1837460254 YLPHBVBEXGQGBU-OAQYLSRUSA-N 493.471 -0.031 50 20 JBGD CC(C)(C)OC(=O)NCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnccc1C(=O)NN)CCO2 1837460388 FJTZWVUQZFQJHY-QFIPXVFZSA-N 492.533 -0.720 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@]3(F)Cl)C2)C1 1837460526 HCGPMMAWXCKVBE-GDIGMMSISA-N 455.874 -0.320 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCC(OC2CCN(C(=O)c3cc4n(n3)CCNC4=O)CC2)CC1 1837582298 PNMAHWHCGGGBPN-UHFFFAOYSA-N 489.577 -0.388 50 20 JBGD C[C@H](Cc1ccncc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1839658234 XFFKZMFJIPPXEQ-KOSHJBKYSA-N 467.331 -0.290 50 20 JBGD C[C@@H](C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)Br)CCO2)N1CCN(C)CC1 1840034790 XJTMGBICBHQBOK-JTDSTZFVSA-N 461.401 -0.138 50 20 JBGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)NCCCN2C(=O)CNC2=O)c1 731116632 CRKXBEUZJRVMFE-UHFFFAOYSA-N 454.509 -0.397 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C[C@@](C)(O)CC(=O)O)C1 1782208844 NIBQHBPWNDNOKV-IPHXSNPTSA-N 456.540 -0.511 50 20 JBGD COC(=O)[C@@H]1CC=CC[C@H]1C(=O)N1CC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1783858566 MXWMMNRXTJHQDZ-YVHKJVDXSA-N 450.536 -0.055 50 20 JBGD O=C(CCC(=O)N1CCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1784997603 IMJMPRGOAOQUJJ-IHPCNDPISA-N 457.336 -0.638 50 20 JBGD C[C@H](Nc1nccs1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1787485735 VXLFEBMGXYILRP-IKICRFKJSA-N 458.349 -0.083 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nccnc3C(N)=O)[C@H]2C1 1789092065 GQCCYCAAGXLTRV-OELZIHBXSA-N 482.501 -0.697 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)NC(=O)OC(C)(C)C)[C@H]2C1 1790177112 NUMUWCQFSHWOOM-XMDUPGNXSA-N 471.555 -0.818 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1cc(O)cc([N+](=O)[O-])c1 1790215256 TWFAQBZCYUTVLO-GKCIPKSASA-N 469.259 -0.113 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1ncn(-c2cccc(F)c2)n1 1794286148 PFMFETYEXJJXHA-CWPLJXCYSA-N 479.277 -0.397 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@H]1CNc3ccccc3O1)C2)c1ccc(B(O)O)cc1 1795734659 VOPKJOSFQARERY-ZQYRFBGISA-N 465.315 -0.167 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc2ncccn2n1 1797380435 HFQFYGURNAQQRB-IVWMJMPLSA-N 450.459 -0.755 50 20 JBGD COc1ccc(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)cn1 1797748657 QLQYUAGXGNNWDP-VPTLXERWSA-N 468.514 -0.075 50 20 JBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1Cc3ccccc3CN1)C2 1797750816 RFMDYECTNGGVDZ-JWWGGVBKSA-N 464.526 -0.397 50 20 JBGD C[C@@H](Nc1ccccn1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1797976504 ISJUBKZQDMDRTP-BKEDOTJMSA-N 453.503 -0.216 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(=O)ccn1C 1798528499 PSNDGFGHZOESMN-IHHIPJHASA-N 454.487 -0.278 50 20 JBGD CC(=O)N[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2)c1ccc(F)cc1 1799058710 XBBQHBQNVSHECU-VAKZPMALSA-N 498.515 -0.095 50 20 JBGD O=C(NC[C@@H]1CCN(C(=O)c2cc(CO)on2)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807360263 JDSKJTKPDLKFGQ-OXJNMPFZSA-N 450.260 -0.125 50 20 JBGD CC(=O)OC[C@H](OC(C)=O)C(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807361729 UCQIUKSQURJKIM-BVSLBCMMSA-N 497.313 -0.424 50 20 JBGD CC(=O)OC[C@H](OC(C)=O)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CCC(=O)NN(C)C)CC2 1819860901 BXEFGAHLEOGSSE-ZFWWWQNUSA-N 483.547 -0.077 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H](O)N2CCOCC2)CC1 1828974123 PVLGISXRTCHJQN-RXVVDRJESA-N 453.584 -0.370 50 20 JBGD CCOC(=O)N[C@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](C)CBr)CCO2)C1 1830539277 GAQZPDAAFHMJIL-AHIWAGSCSA-N 466.329 -0.462 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)c1c(F)ccnc1Cl)CCO2 1833249115 JFQUKCMQMVMWAG-NRFANRHFSA-N 477.685 -0.062 50 20 JBGD C[C@](Cl)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc4n(n3)CCNC4=O)CCO2)C1 1834564225 UXQOIBQPTIBXSU-RBUKOAKNSA-N 474.345 -0.067 50 20 JBGD CC1CCN(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)CC1 1835927499 QHFMOOYYMJSTOB-HSZRJFAPSA-N 459.352 -0.832 50 20 JBGD CSc1ncccc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835938327 SGFIKLGXKKQZMU-JOCHJYFZSA-N 471.344 -0.133 50 20 JBGD CN1CCN(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)CO[Si](C)(C)C)CCO3)CC1 1837711802 QSLOSOXMKJDMOC-OAQYLSRUSA-N 456.660 -0.068 50 20 JBGD CC[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@@H](NC)C(=O)O)C2)C1 1839963356 IINQFOBDSIWVRC-OGHNNQOOSA-N 450.330 -0.321 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CC(=O)N(C4CCCC4)C3)C2)C1 1840182289 DZCIVZQJUXOUTO-UUOWRZLLSA-N 493.605 -0.393 50 20 JBGD C[C@@H](Oc1cccnc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1840452374 ODEAFDLDIXQLPN-HXOBKFHXSA-N 469.303 -0.701 50 20 JBGD CCOC(=O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1840883698 FYNJWYXXLNJDHE-JOCHJYFZSA-N 462.308 -0.974 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC2(CCCN2C(=O)c2cnccc2C(=O)NN)C1 1844264198 RXVBUOIKISDBSB-LGJNPRDNSA-N 452.475 -0.364 50 20 JBGD Cc1ccnc2nc(C(=O)NNC(=O)CCc3ccc(S(=O)(=O)N4CCOCC4)cc3)nn12 25982545 YNKBZVGHZNKCDL-UHFFFAOYSA-N 473.515 -0.153 50 20 JBGD Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)NNC(=O)CNC(=O)c2ccco2)C1 751204695 MSXXXCMLSYFIRW-ZDUSSCGKSA-N 453.477 -0.137 50 20 JBGD CCS(=O)(=O)N1CCC[C@@H](C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)C1 918549741 NIPGNIMILVYQAR-MRXNPFEDSA-N 488.588 -0.470 50 20 JBGD CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1781351403 NEAKLUDZIWKEDQ-FDDCHVKYSA-N 491.350 -0.914 50 20 JBGD CN(CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ncn(C)n3)C[C@@H]21)NC(=O)NCc1ccccc1 1789724840 PKOYVZOIAIULOW-FHWLQOOXSA-N 484.561 -0.245 50 20 JBGD COc1cc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)ccc1[N+](=O)[O-] 1795739699 CHLPOQVAZZUONN-FAQVEIGNSA-N 483.286 -0.271 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)[C@H]1C[C@@]12C(=O)Nc1ccccc12 1800734744 UJUOSSHZQCTNCM-ZEJMQVLBSA-N 475.310 -0.520 50 20 JBGD CCS(=O)(=O)N[C@@H](C)C(=O)N1CCCC2(CCN(C(=O)c3cnccc3C(=O)NN)CC2)C1 1805956563 HXUUBGJZBLFION-HNNXBMFYSA-N 480.591 -0.142 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1cccc([N+](=O)[O-])c1)CCO2 1829627476 ZGLLVUFUYXPGSE-JOCHJYFZSA-N 477.518 -0.033 50 20 JBGD O=C(CC(F)(F)C(=O)O)NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1835073297 WJEDLEJVNPFPMJ-UHFFFAOYSA-N 467.278 -0.338 50 20 JBGD C[C@@H](Br)C(=O)N1CCC(N2CCC(NC(=O)[C@H](O)N3CCOCC3)CC2)CC1 1835763297 ANPSROPHHFFPPC-KUHUBIRLSA-N 461.401 -0.008 50 20 JBGD C[C@@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835926679 YPZUEHOIKHCDLT-LIRRHRJNSA-N 469.141 -0.533 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)c3cnc4ccccc4n3)C2)C1 1835928338 KZQUHFUZCJSFED-XMMPIXPASA-N 476.298 -0.307 50 20 JBGD O=C1CCc2ccc(C(=O)N3CCOC[C@]4(CN(C(=O)c5ccc(B(O)O)cc5)CCO4)C3)nc2N1 1835928626 SZYZIXIZVPYWCF-DEOSSOPVSA-N 494.313 -0.970 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)c3cnc(C(F)(F)F)cn3)C2)C1 1835935454 FQWHBAKLIKIALY-HXUWFJFHSA-N 494.235 -0.441 50 20 JBGD O=C(c1ccc2nc(CO)[nH]c2c1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835936780 CNCIYSYHQBMTOX-XMMPIXPASA-N 494.313 -0.881 50 20 JBGD CCS(=O)(=O)N[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)[C@H](O)CCl)CC2)CC1 1836713644 JRVSFNYVBSUKJA-XJKSGUPXSA-N 453.989 -0.088 50 20 JBGD O=C(CN1CCS(=O)(=O)CC1)N1CCC(OC2CCN(C(=O)[C@H](O)CCl)CC2)CC1 1836714938 DWBNSFMEPVBMJC-QGZVFWFLSA-N 466.000 -0.685 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)n1ccccc1=O)CCO2 1837687070 RBYWTIGGWGJNMD-ZKEKNWOOSA-N 498.540 0.000 50 20 JBGD C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1)N1CCN(C)CC1 1839103203 ITRAPPDAUNRHED-RVKKMQEKSA-N 465.364 -0.231 50 20 JBGD Cc1cccc(C)c1NC(=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1839157499 RPXLFOPSTQNLCV-RUZDIDTESA-N 495.341 -0.308 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(-n3cccn3)cc1)CCO2 1839336953 ALRFVMSOOUEQOA-RUZDIDTESA-N 490.325 -0.064 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)c1cc3cccnn3c1)CCO2 1839560361 LTCRKADDSMAIIV-QHCPKHFHSA-N 464.287 -0.602 50 20 JBGD CC(=O)NCCC(=O)N1CCO[C@]2(COCCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C2)C1 1839884252 CSNLSFAJIUQZOT-MNQDVBFDSA-N 462.507 -0.897 50 20 JBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)Cn3nnc4ccccc4c3=O)cc2)CC1 728213288 IPLKSQHPNIIMLK-UHFFFAOYSA-N 457.516 -0.129 50 20 JBGD COc1cc2c(cc1OC)[C@H](CC(=O)NNC(=O)CNC(=O)C1CC1)N(S(C)(=O)=O)CC2 914857725 VDYNHICTDOKDNC-HNNXBMFYSA-N 468.532 -0.374 50 20 JBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2)c1nc2ncccn2n1 1778586211 UCFQPFRLABKKFN-VGOFRKELSA-N 464.291 -0.755 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cn4ccsc4n3)C[C@@H]21)c1ccc(B(O)O)cc1 1786979849 UAIGTHKGVMFBJB-ZVZYQTTQSA-N 454.317 -0.017 50 20 JBGD C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1792258245 ZSEYJSLSAFLESC-WJMWBRGCSA-N 499.373 -0.124 50 20 JBGD CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)CCl 1792983055 AGZUTUHQCNTTCN-KHMAMNHCSA-N 477.942 -0.368 50 20 JBGD CC(C)(C)OC(=O)N[C@H](CCO)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(B(O)O)c1)C2 1793245947 IGNZYTQPRGAIIH-FCGDIQPGSA-N 475.351 -0.106 50 20 JBGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(N2CCCNC(=O)C2)n1 1794506815 PYTKYVQMHQXHNL-UIVXKWKOSA-N 479.965 -0.135 50 20 JBGD CN(CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(O)nn1)NC(=O)NCc1ccccc1 1794566432 GGZZBVOTXAXOMR-UPHUGPLXSA-N 483.529 -0.268 50 20 JBGD CC(=O)N[C@H](Cc1cccc(F)c1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795736963 QEAJFPWQTIBICP-IYRWYFENSA-N 497.332 -0.544 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1COc3ccccc3O1)C2)c1cccc(B(O)O)c1 1795737268 MXDRILDTIOLXCI-VAKZPMALSA-N 452.272 -0.590 50 20 JBGD CC(=O)N1CCN(CC(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2ccc(B(O)O)cc2)CC3)CC1 1818894166 ZHIIDXKMSILRRM-KRWDZBQOSA-N 485.375 -0.787 50 20 JBGD C[C@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)C[C@H]3NC(=O)NC3=O)C2)C1 1830535255 KXEKQLILVVXIRW-QFSBIZTOSA-N 461.313 -0.928 50 20 JBGD C[C@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCN(C)CC3)C2)C1 1830539913 KKJFSBJKTKGJRC-VQIMIIECSA-N 461.401 -0.279 50 20 JBGD O=C(c1ccc(N2CCOCC2)cn1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830726548 ZKATYUWQGJDABN-RXVVDRJESA-N 468.938 -0.412 50 20 JBGD O=C(c1nc2c(=O)[nH]c3ccccc3n2n1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830730528 AZHHGCISVODHCK-QVKFZJNVSA-N 490.904 -0.760 50 20 JBGD CN(CC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1)C(=O)C(=O)O 1831163483 QZALPPUWNISTRQ-SFHVURJKSA-N 459.308 -0.857 50 20 JBGD Cc1ccncc1CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1833009822 MQPMTDJQJLDCFU-DEOSSOPVSA-N 467.331 -0.227 50 20 JBGD CC[C@@H](NC(N)=O)C(=O)NC1CCN(C2CCN(C(=O)c3cnccc3C(=O)NN)CC2)CC1 1835055973 GTVSMBXSFZBTPQ-GOSISDBHSA-N 474.566 -0.683 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3Cc4ccccc4N3)C2)C1 1835932272 XHOYQENKBIMCOL-URXFXBBRSA-N 465.315 -0.527 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3nc(C)no3)CCO2)C1 1836069654 DHMUMLDVQGMCOO-JHXRPTDYSA-N 473.490 -0.489 50 20 JBGD CCc1[nH]nc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)c1Cl 1836227400 YRBPXZIMKCZDAU-NRFANRHFSA-N 476.726 -0.311 50 20 JBGD Cc1cncc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)c1 1837456123 CPAZHLBHLAPABK-QFIPXVFZSA-N 454.487 -0.228 50 20 JBGD Cn1nc(C(F)(F)F)cc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1838078323 KDYHUNWGWZVXBY-FQEVSTJZSA-N 496.251 -0.498 50 20 JBGD CCn1nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)cc1C 1838149140 BYSPGPIHNCCCEX-JOCHJYFZSA-N 456.308 -0.725 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=N)N)C2)C1 1838528300 OOLLYGUVKMFIDI-FQEVSTJZSA-N 478.462 -0.927 50 20 JBGD N=C(N)NCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](Br)Cc1ccccc1)CCO2 1839802135 MTLOSYHQKGPBLF-OXJNMPFZSA-N 482.379 -0.068 50 20 JBGD Cc1cc(CC(=O)N2CCOC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)nn1C 1840182335 HMERHZSZBNBZIN-OAQYLSRUSA-N 450.540 -0.900 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(N(C)C)cn3)C2)C1 1840183599 ODFCQTUTBMBXSN-QFIPXVFZSA-N 462.551 -0.409 50 20 JBGD CS(=O)(=O)NCCNC(=S)NNC(=O)Cc1nn2c(C3CCCCC3)nnc2s1 727067548 NKOKHDIXNSGBSA-UHFFFAOYSA-N 460.611 -0.180 50 20 JBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)[C@@H]3CCCCN3S(C)(=O)=O)cc2)CC1 728216047 OMBVQMGABRXVCQ-KRWDZBQOSA-N 459.594 -0.120 50 20 JBGD O=C(Cn1c(=O)ccn(Cc2ccccc2)c1=O)NNC(=O)C1CCN(c2ncccn2)CC1 728847514 IMAKTWWWXLFJKR-UHFFFAOYSA-N 463.498 -0.088 50 20 JBGD O=C(COc1ccccc1O)NNS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 730811752 FDFHZKSMSPZFMQ-UHFFFAOYSA-N 471.513 -0.198 50 20 JBGD COc1cc2c(cc1OC)[C@@H](CC(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1)N(S(C)(=O)=O)CC2 731761577 SCERLHOPXKYXIN-UKRRQHHQSA-N 489.572 -0.465 50 20 JBGD O=C(CN1C(=O)COc2cc(Br)ccc21)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 919884922 IKHPVKNDWNJYAQ-SNVBAGLBSA-N 461.294 -0.308 50 20 JBGD Cn1c(=O)c(C(=O)N2CC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)nc2ccccc21 1777888836 XMROSFNBDGSCID-DEOSSOPVSA-N 476.298 -0.629 50 20 JBGD CN1CCCn2nc(C(=O)N3CC[C@@]4(CN(C(=O)CCC(=O)NN(C)C)CCO4)C3)cc2C1 1782565722 YDMWJVCCSHIJEU-JOCHJYFZSA-N 461.567 -0.465 50 20 JBGD COC(=O)[C@H]1CC[C@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)CC1 1784792586 ANPPAOJKZXRDPO-BWOMAWGNSA-N 472.347 -0.061 50 20 JBGD CCOc1cnc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)cn1 1785607221 PAUFWALSACXUTC-IEZWGBDMSA-N 454.292 -0.538 50 20 JBGD O=C(C[C@H]1COc2ccccc2O1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1793267129 NLEULGHOYFITIA-ZQYRFBGISA-N 466.299 -0.200 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(N2CCOCC2)cn1 1794442029 HJAIEVNIFYLPAJ-VPTLXERWSA-N 495.540 -0.566 50 20 JBGD CC(=O)N[C@@](C)(C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1)c1ccccc1F 1795735909 JCVNREGWHQEXHX-VCYDUHQGSA-N 497.332 -0.240 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ncn(-c2ccccc2)n1 1796540885 YGSJRINRVSFKFF-CCWDJLKJSA-N 476.497 -0.217 50 20 JBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1797750467 AQXWAUFNCICQEK-USGNIVHTSA-N 491.508 -0.319 50 20 JBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cn3ncccc3n1)C2 1797750603 LTDUNHLMKZFGTE-IVWMJMPLSA-N 450.459 -0.755 50 20 JBGD Cc1cn(CC(=O)NC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)c(=O)nc1O 1814038937 IOTHFSKDHGQDCK-RXVVDRJESA-N 491.313 -0.648 50 20 JBGD NNC(=O)c1ccncc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(=O)n3[nH]cnc3n2)[nH]n1 1819402746 JQACCWUUWNYUPY-OAHLLOKOSA-N 491.472 -0.241 50 20 JBGD CC(C)(C)OC(=O)CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1831989419 DMTLJOXEGSZRJZ-JOCHJYFZSA-N 462.308 -0.832 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)Cn3ccccc3=O)CC2)CC1)c1ccc(B(O)O)cc1 1834797847 DHPZFSHCTMLSMU-UHFFFAOYSA-N 466.347 -0.587 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)c3c(F)ccnc3Cl)C2)C1 1835927344 NMFQCEWBUXBWJH-NRFANRHFSA-N 477.685 -0.062 50 20 JBGD COc1ccc(F)cc1CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835934511 WGQPOLOMYCNSKV-XMMPIXPASA-N 486.305 -0.173 50 20 JBGD CC(C)c1cc(C(=O)N2CCOC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)no1 1835935244 JYKYMDOBXAQLDP-QFIPXVFZSA-N 457.292 -0.138 50 20 JBGD Cc1c(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)ccc2c1OCCO2 1835935554 LARDDRUTSQWQTA-RUZDIDTESA-N 496.325 -0.170 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)c3cccn4nccc34)C2)C1 1835939341 MRJRDJSKTWECHG-QHCPKHFHSA-N 464.287 -0.602 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(C=O)s3)CCO2)C1 1835944332 VVURHAPILAHKKK-OAQYLSRUSA-N 473.511 -0.057 50 20 JBGD CC[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCN(C)CC3)CCO2)C1 1836676650 MWUFQEXLZPWZBS-QFBILLFUSA-N 461.401 -0.136 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc3n(n1)CCCC3)CCO2 1836980563 IASILZGDZVJEKR-QFIPXVFZSA-N 462.551 -0.338 50 20 JBGD Cc1nc2sccn2c1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1837143554 AAHNXXGVYMELOP-JOCHJYFZSA-N 484.343 -0.232 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ncc[nH]3)C2)C1 1837460295 ABCCSHZJWZRYMN-OAQYLSRUSA-N 457.491 -0.889 50 20 JBGD C[Si](C)(C)OCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1837715342 LMLKHBHTPPRRBS-HXUWFJFHSA-N 465.583 -0.393 50 20 JBGD Cn1cc(CC(=O)N2CCC(OC3CCN(C(=O)c4ccc(B(O)O)cc4)CC3)CC2)cn1 1837920971 NQXMKBDVGUJBGI-UHFFFAOYSA-N 454.336 -0.045 50 20 JBGD COC[C@H](Cl)C(=O)N1CCC(OC2CCN(C(=O)c3cc(=O)n4[nH]nnc4n3)CC2)CC1 1838023155 UXYQSNWCQNSRBC-AWEZNQCLSA-N 467.914 -0.321 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cncnc1C)CCO2 1838092817 WXDBXSXSTLWBOM-SYOQMXFQSA-N 469.502 -0.011 50 20 JBGD Cc1nccnc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1838215369 CGMPFKZQMALTTE-OAQYLSRUSA-N 455.475 -0.833 50 20 JBGD COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)c1 1838582119 CGEGVNYTKAWZSU-DEOSSOPVSA-N 494.508 -0.051 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccnc3S)C2)C1 1840182714 IVSOGBCLPQPXOA-FQEVSTJZSA-N 451.549 -0.187 50 20 JBGD COc1ccc(F)cc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1840688163 LXBUVZKJTFDOGE-QHCPKHFHSA-N 472.278 -0.102 50 20 JBGD O=C(CNC(=O)c1cccs1)NNS(=O)(=O)c1ccc(N2C[C@@H](C(=O)O)CC2=O)cc1 751278861 DDDBYUDDXGXALC-NSHDSACASA-N 466.497 -0.075 50 20 JBGD O=C1CN(S(=O)(=O)c2cccc(C(=O)OCC(=O)NNC(=O)c3cccs3)c2)CCN1 912685145 VSTLFMAUBRVBMK-UHFFFAOYSA-N 466.497 -0.513 50 20 JBGD CC(=O)Nc1cc(C(=O)N2CCO[C@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)ccn1 1779030837 XTKIBFNHHLUJNO-QFIPXVFZSA-N 467.486 -0.204 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cccc3c1NC(=O)C3=O)CCO2 1783935030 NGECLYSUPAFFBL-QFIPXVFZSA-N 457.487 -0.362 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1cccc2c1OCCO2 1796961241 RSBRRHZLXQJYFW-CWPLJXCYSA-N 452.272 -0.345 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1cccc(F)c1[N+](=O)[O-] 1799630302 JJELDFDFHRRPAR-ZSBFGKGUSA-N 457.223 -0.069 50 20 JBGD O=C(NC[C@H]1CCN(C(=O)CCN2CCOC2=O)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807377088 XFKMJTONAQCWAP-WIYYLYMNSA-N 466.303 -0.077 50 20 JBGD Cc1cn(CC(=O)N[C@@H]2CCc3nc(NC(=O)c4cnccc4C(=O)NN)sc3C2)c(=O)nc1O 1819801709 QUFGRQIUPJHCOU-LLVKDONJSA-N 498.525 -0.362 50 20 JBGD O=C(c1cc(=O)nc2sccn12)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830731482 JYYZJFFRNXQFAT-UGSOOPFHSA-N 456.908 -0.574 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H](O)N2CCOCC2)CC1 1831873198 CZULFINRZXJABY-GCJKJVERSA-N 453.584 -0.370 50 20 JBGD CN(C)c1cccc(OCC(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)c1 1832526627 CCONAZPYBYSXKH-RUZDIDTESA-N 497.357 -0.419 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)COc1cccc(N(C)C)c1)CCO2 1832531515 SXVOFWQGHCQTMH-DEOSSOPVSA-N 491.589 -0.039 50 20 JBGD CCC(=O)N[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1833421242 FBGMWHWCWZAUKZ-MRXNPFEDSA-N 458.368 -0.534 50 20 JBGD CC(=O)N(C)[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3cnccc3C(=O)NN)CC2)CC1 1835122561 IEHGRZHYAVLMHX-HNNXBMFYSA-N 473.578 -0.263 50 20 JBGD C[Si](C)(C)OCC(=O)NC1CCN(C2CCN(C(=O)c3cc(=O)n4[nH]nnc4n3)CC2)CC1 1835837915 ZJFXPSCXGARRBQ-UHFFFAOYSA-N 476.614 -0.151 50 20 JBGD CSCC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835934027 KOIVGTPKCMXSPD-NRFANRHFSA-N 450.366 -0.174 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCc4ccccc4O3)C2)C1 1835940205 YZKBOHWTDRCRIV-WIOPSUGQSA-N 480.326 -0.170 50 20 JBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)CCCN2C(=O)NC(C)(C)C2=O)cc1 17406697 ODEAXNKHWKGVJH-UHFFFAOYSA-N 453.521 -0.126 50 20 JBGD COc1cc2c(cc1OC)[C@H](CC(=O)NNC(=O)N[C@@H](C)Cn1cncn1)N(S(C)(=O)=O)CC2 749213619 YZFCPZQAEFKWGJ-BBRMVZONSA-N 495.562 -0.037 50 20 JBGD CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779029549 UHGUSJZXHHRXLF-AOMKIAJQSA-N 492.533 -0.986 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CNC(=O)c1cccnc1)C2 1782209434 PGHGQNOGZIJXIZ-WZONZLPQSA-N 474.562 -0.302 50 20 JBGD CN(CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COCCO)[C@H]2C1)NC(=O)NCc1ccccc1 1789917330 DRPNQTXZCQFYJD-UFYCRDLUSA-N 477.562 -0.679 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CC[C@@H]4CCC(=O)N4C3)C[C@@H]21 1791290940 SUGJXMUBTOQARZ-OYSTVDSJSA-N 463.579 -0.260 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)[C@H]1CC(=O)N(Cc2cccs2)C1 1793974531 STVIPHJJZWZKBN-AYMMHLMVSA-N 497.382 -0.320 50 20 JBGD C[C@H](O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](Cc1ccc(B(O)O)cc1)NC(=O)OC(C)(C)C 1796907238 AJKFZAHFKCQYPH-ZQOVORKSSA-N 489.378 -0.179 50 20 JBGD Cc1nc[nH]c1CSCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2 1797664430 OLIBUCMZXQCPIH-YVWYUNDQSA-N 452.581 -0.086 50 20 JBGD CCS(=O)(=O)c1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(=O)NN(C)C)C3)cc1 1800433610 WKJHPHDQQYVSJT-FEJSZKPUSA-N 494.614 -0.015 50 20 JBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)C2 1801010691 QEZMESQQIOMMDX-YYAJDYIMSA-N 485.582 -0.775 50 20 JBGD O=C(NC[C@H]1CCN(C(=O)CN2C(=O)C=CC2=O)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807375633 UGLPMUKKRGWWCL-VGSWGCGISA-N 462.271 -0.994 50 20 JBGD CN1CCN(CC(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc(B(O)O)c3)n[nH]2)CC1 1817476663 YTUSSSZYWVOYNJ-IBGZPJMESA-N 454.340 -0.357 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(B(O)O)c2)CC1 1828926897 UDEHTIQLKWKJTR-OAQYLSRUSA-N 479.346 -0.088 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCC([C@@H]2CCCCN2C(=O)[C@H](O)N2CCOCC2)CC1 1828967935 TYNXYLSZHXUKIM-UNMCSNQZSA-N 459.352 -0.750 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(Cl)nc1)CCO2 1829505568 FMTDVPOLXSHRDL-NRFANRHFSA-N 459.695 -0.201 50 20 JBGD CC(=O)NCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](CCl)NC(=O)OC(C)(C)C)CCO2 1832552266 ZRYZKRGFGNPELC-YWZLYKJASA-N 476.958 -0.289 50 20 JBGD COc1cnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)c(F)c1 1833632141 VCWOEIPLTGWCAF-JOCHJYFZSA-N 488.476 -0.388 50 20 JBGD Cc1nnc(CC(=O)NC2CCN(C3CCN(C(=O)c4cnccc4C(=O)NN)CC3)CC2)o1 1834834253 MQAJGIFVJSXHFH-UHFFFAOYSA-N 470.534 -0.196 50 20 JBGD O=C(c1cnnc(Cl)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835927112 GKUNURMUYZLDRD-HXUWFJFHSA-N 460.683 -0.806 50 20 JBGD Cc1ccc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)cn1 1835927498 QBLVIUNMAAAIJA-XMMPIXPASA-N 467.331 -0.227 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4c3CCCC4)C2)C1 1835928781 ZBKHPUQSDSYAPQ-QHCPKHFHSA-N 468.319 -0.648 50 20 JBGD O=C(Cc1ccc(F)cc1F)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835931967 JNXXUQTUBWPSRH-QHCPKHFHSA-N 474.269 -0.043 50 20 JBGD Cn1nc(C(F)(F)F)cc1C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835938057 HWGQXAIVZCQJQL-FQEVSTJZSA-N 496.251 -0.498 50 20 JBGD C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1)N1CSCSC1 1835938064 IAUGGVDTJBAICK-IERDGZPVSA-N 495.432 -0.521 50 20 JBGD O=C1NCCCn2nc(C(=O)N3CCO[C@]4(COCCN(C(=O)C(Cl)Cl)C4)C3)cc21 1836781828 YZBPDOOQXODWCA-GOSISDBHSA-N 460.318 -0.110 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc3cccnc3[nH]1)CCO2 1837005453 DIQFQCPRHNBRMF-HSZRJFAPSA-N 464.287 -0.374 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc4ncccn34)C2)C1 1837459037 HUKLEEBQDPQZIB-QFIPXVFZSA-N 480.485 -0.888 50 20 JBGD COC[C@H](NC(C)=O)C(=O)N1CCC(OC2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1 1838433857 DWBUXMLMHVRTTF-IBGZPJMESA-N 469.583 -0.491 50 20 JBGD COC[C@H](NC(C)=O)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@](C)(Cl)CCl)CCO2 1839154042 ZQAJCGABEIAEEK-BMGDILEWSA-N 454.351 -0.170 50 20 JBGD O=C([C@@H]1CCCS1(=O)=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839203099 ZUAZDBSNNRPEDW-HUBLWGQQSA-N 457.318 -0.290 50 20 JBGD COC(=O)C12CC(C(=O)N3CCO[C@@]4(COCCN(C(=O)c5cnccc5C(=O)NN)C4)C3)(C1)C2 1840005761 RTIIEFOACFMNDQ-XPPIMPSXSA-N 487.513 -0.902 50 20 JBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](NC(=O)c3ccccc3)[C@@H](C)O)C2)C1 1840149663 WTSAFPHBIVWCFW-LDQAXMLRSA-N 497.976 -0.124 50 20 JBGD CCc1[nH]nc(C(=O)N2CCOC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)c1F 1840183560 MDARNQZJYHXGFN-FQEVSTJZSA-N 454.503 -0.446 50 20 JBGD CC(C)n1cnc(C(=O)N2CCOC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)n1 1840184539 SVWHILSPEMIASM-FQEVSTJZSA-N 451.528 -0.698 50 20 JBGD C[C@H](Oc1cccnc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1840452375 ODEAFDLDIXQLPN-SBUREZEXSA-N 469.303 -0.701 50 20 JBGD Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)NNC(=O)CNC(=O)c2ccco2)CC1 725872204 LHTPAJFIKVEYAV-UHFFFAOYSA-N 454.465 -0.638 50 20 JBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)CNC(=O)c3cccs3)CC2)cc1 751207042 YGOQAZILMBVZBO-UHFFFAOYSA-N 479.584 -0.060 50 20 JBGD CC(=O)c1ccc(S(=O)(=O)NCC(=O)OCC(=O)NNC(=O)Cc2nc(C)cs2)cc1 763224126 KEOBTGURYRRKTF-UHFFFAOYSA-N 468.513 -0.134 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cccn3c(O)nnc23)C1 1777957907 GSQAPARPLUFHFW-UZUQRXQVSA-N 494.512 -0.125 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H]1CCCS1(=O)=O)C2 1779374132 CAVQJECLDVCCOG-CBGDNZLLSA-N 479.559 -0.610 50 20 JBGD C[C@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnccc2C(=O)NN)C1)n1cnnn1 1779375502 PFEOYAOZUKWFJE-OWDMVUQNSA-N 457.495 -0.940 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)c3cc(-c4ccncc4)[nH]n3)C2)C1 1779591644 UDZRJULNXLJXEW-QHCPKHFHSA-N 461.287 -0.091 50 20 JBGD CC(=O)N[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1ccc(F)cc1 1789695650 BQQVCYBRPRTYQM-QGQQZZQASA-N 497.332 -0.024 50 20 JBGD CCC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cnc3c1c(=O)n(C)c(=O)n3C)C2 1793445411 GRJWVFAYWHSOGJ-HLPPOEQASA-N 480.953 -0.569 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)c1ccccc1Cl)C2)c1ccc(B(O)O)cc1 1795737157 YFGYWKOSRAATQV-HRYATBACSA-N 458.707 -0.043 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1=NNC(=O)C1 1797679465 CDQAZYKRGQISOF-WJNVRWDZSA-N 457.915 -0.416 50 20 JBGD C[C@H](NNc1ccccc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797748180 MCBBIXFEQOUSQU-MFCZKXCZSA-N 467.530 -0.107 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1ccc(OCCCO)cc1 1798541075 GYOSKQBNFIEICR-HATOLVCRSA-N 468.315 -0.355 50 20 JBGD O=C(Cc1ccc([N+](=O)[O-])cc1F)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1800400611 MXOJROWCEMAAJU-VPTLXERWSA-N 471.250 -0.140 50 20 JBGD CC[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCS(=O)(=O)CC1)C2 1800640262 NUUOUGNVIMIUPM-FQLMCAECSA-N 466.398 -0.520 50 20 JBGD CCS(=O)(=O)N[C@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cnccc3C(=O)NN)sc2C1 1819792942 FFAFIIXXXUBLHU-GHMZBOCLSA-N 495.587 -0.305 50 20 JBGD CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830733726 RYBYHEVBMYKWJG-AUSJPIAWSA-N 479.958 -0.682 50 20 JBGD COC(=O)[C@H]1CC[C@H](C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)CC1 1832007895 FQDCAZMTRJDVIB-KDLAUNOPSA-N 488.346 -0.584 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CNC(=O)O3)C2)C1 1832549150 GMKYFVOFBGRQGI-YRVVQQKDSA-N 490.941 -0.317 50 20 JBGD CC[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc4n(n3)CCNC4=O)CCO2)C1 1834564575 CQDFIUMIKXHLNC-ORAYPTAESA-N 484.351 -0.130 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)CCBr)CC2)CC1)[C@H](O)N1CCOCC1 1835762681 YIXQIEHIHFRDGX-IBGZPJMESA-N 461.401 -0.006 50 20 JBGD COc1ncc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)cc1F 1835927303 NFCIJJDZIKPZHM-QFIPXVFZSA-N 473.266 -0.707 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)c3cccc4c3OCCO4)C2)C1 1835930317 GJSGCZITCNJNNP-DEOSSOPVSA-N 482.298 -0.479 50 20 JBGD CN(C)C(=O)c1cccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)c1 1835940851 BXKYWLQQGIJPBM-VWLOTQADSA-N 495.341 -0.548 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1Cc3ccccc3O1)CCO2 1836650316 GTHFFQUVROGVCX-HYBUGGRVSA-N 481.509 -0.241 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn4ccccc4n3)C2)C1 1837460009 ZAGMUVZKOQKFKW-QHCPKHFHSA-N 479.497 -0.283 50 20 JBGD C[C@H](Br)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)NC(=O)c1cnccn1)CCO2 1837610015 FVQZHESAGBGZIB-NJSLBKSFSA-N 484.351 -0.165 50 20 JBGD CCNC(=S)NCC(=O)N1CCC(OC2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1837920163 PDOMRJGCJSWVJM-UHFFFAOYSA-N 476.408 -0.537 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CNC(=O)C3)C2)C1 1838528251 MVTBLIRTCKWKLA-NYHFZMIOSA-N 490.469 -0.274 50 20 JBGD COCCOCCOCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](Cl)COC)C2)C1 1840077919 SPNHODPIOZJCIS-YLJYHZDGSA-N 466.959 -0.234 50 20 JBGD CC[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1)N(CC)CC 1840182555 NPVDRPBXTBWCCW-PGRDOPGGSA-N 455.600 -0.064 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCc4nc[nH]c4C3)C2)C1 1840185013 ITNONFBRLQLZMD-OPAMFIHVSA-N 462.551 -0.656 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4nn[nH]c4c3)C2)C1 1840185813 XTFVKJDHMCSOQF-OAQYLSRUSA-N 459.507 -0.599 50 20 JBGD C[C@@H](NC(=O)c1ccccc1)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840187335 UAQVTHQZCTUHGJ-HOYKHHGWSA-N 489.573 -0.366 50 20 JBGD CC(C)(C)OC(=O)N1CCO[C@H](C(=O)N2CCCC23CN(C(=O)c2cccc(B(O)O)c2)C3)C1 1841427750 CQLXGMKTQVBORD-SFHVURJKSA-N 473.335 -0.181 50 20 JBGD CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)N2CC3(CCCN3C(=O)c3cccc(B(O)O)c3)C2)C1 1843015194 RXVALCJSFFVGTP-QHCPKHFHSA-N 473.335 -0.445 50 20 JBGD CC[C@H](NC(N)=O)C(=O)N1CCCC12CN(C(=O)CN(C)NC(=O)NCc1ccccc1)C2 1843337830 APJSRXBGJACLIL-KRWDZBQOSA-N 459.551 -0.017 50 20 JBGD O=C(CCNS(=O)(=O)c1ccc(Br)cc1)NNC(=O)[C@H]1CCS(=O)(=O)C1 9930663 PTCKHGODRIEPST-JTQLQIEISA-N 468.351 -0.300 50 20 JBGD CN(C)S(=O)(=O)c1ccc(S(=O)(=O)NNC(=O)c2csc(N3CCOCC3)n2)cc1 16098544 QBYKZEXIUNEPER-UHFFFAOYSA-N 475.574 -0.147 50 20 JBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=S)NCc2ccc(S(N)(=O)=O)cc2)cc1 726437811 KVUPODWZRLXFNM-UHFFFAOYSA-N 485.613 -0.042 50 20 JBGD Cn1nc(Br)c2c(=O)n(CC(=O)NNC(=O)CNC(=O)c3cccs3)cnc21 727091514 QYDLHHYKVLAWSW-UHFFFAOYSA-N 468.293 -0.469 50 20 JBGD O=C(CSCC(=O)N1CCOCC1)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 912642939 NVMNJYYUGQCUQC-UHFFFAOYSA-N 470.573 -0.176 50 20 JBGD COc1cc2c(cc1OC)[C@H](CC(=O)NNC(=O)C1=COCCO1)N(S(C)(=O)=O)CC2 913161846 YPAXGZGDWJDEHE-AWEZNQCLSA-N 455.489 -0.012 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1CCC(=O)N1)C2 1778090997 BZEHOWPTRIYQPY-AMSWIDODSA-N 458.519 -0.087 50 20 JBGD CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C(=O)N3CC[C@@]4(CN(C(=O)c5cccc(B(O)O)c5)CCO4)C3)[C@@H]2C1 1783467284 JNZJVDIPODGXJG-ZDQHKECQSA-N 499.373 -0.077 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](O)CNC(=O)OC(C)(C)C)CCO2 1783933367 WEWMYAHLNCRZOG-BTYIYWSLSA-N 471.555 -0.925 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)C1=NN(c2ccccc2)C(=O)C1 1787539163 VMESYCFZKAYDBE-XJABCFGWSA-N 490.325 -0.247 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc4nncn4c3)[C@H]2C1 1788374713 QABOTQUJAXLFDB-WBAXXEDZSA-N 464.486 -0.365 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](N)Cc3cccnc3)C[C@@H]21 1788610442 RYLLJWXHLTXFKN-KNTRFNDTSA-N 467.530 -0.757 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc(S(C)(=O)=O)cc3)C[C@@H]21 1791289375 WMSGTJNBKACMQD-IHPCNDPISA-N 494.614 -0.015 50 20 JBGD N#C/C(=C\c1ccc(F)cc1F)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(=O)n2[nH]nnc2n1 1796109451 YNQJVSQDILVQMA-RMRMTIIFSA-N 496.434 -0.099 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccnc1C(N)=O)C2 1796440835 AXLPEKJQXTZYBK-DBOAAZOQSA-N 467.486 -0.482 50 20 JBGD COc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)cc1F 1801500756 SIOSFDHDLLCNOJ-FAQVEIGNSA-N 456.279 -0.040 50 20 JBGD C[C@H](CS(C)(=O)=O)C(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1803582488 JEFRORJBPIEYIJ-BPAFIMBUSA-N 473.360 -0.238 50 20 JBGD CCS(=O)(=O)CC(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807361905 YDIOSUZCNHHMMR-XLIONFOSSA-N 459.333 -0.484 50 20 JBGD O=C(NC[C@@H]1CCN(C(=O)CNC(=O)C(F)(F)F)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807364753 GBPAHZCNIVYUNS-MAUKXSAKSA-N 478.236 -0.241 50 20 JBGD CC(=O)OC[C@H](OC(C)=O)C(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807373545 BNWYSQZAYJEQSK-BAGYTPMASA-N 497.313 -0.424 50 20 JBGD C[C@@H](Cn1cncn1)C(=O)N[C@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815344391 XACMCZPLBMXUBS-WFASDCNBSA-N 454.321 -0.024 50 20 JBGD C[C@@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1830537409 GWEXOPYVHIWBMU-LIRRHRJNSA-N 469.141 -0.533 50 20 JBGD C[C@](O)(CC(=O)O)CC(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834799084 NKUYLQACABROGL-HSZRJFAPSA-N 475.351 -0.833 50 20 JBGD O=C(Cc1ccc2c(c1)OCO2)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1835168942 MAFRDXONMAKYMA-XMMPIXPASA-N 482.298 -0.592 50 20 JBGD Cn1cccc(C(=O)N2CCC(N3CCC(NC(=O)c4cnccc4C(=O)NN)CC3)CC2)c1=O 1835737216 XEFBLKNYLLXTIV-UHFFFAOYSA-N 481.557 -0.117 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC1CCN(C2CCN(C(=O)/C=C\C(=O)NC3CC3)CC2)CC1 1835737858 IUGAVROHIHSJOO-ARJAWSKDSA-N 483.573 -0.295 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)c3ccc4cnccc4n3)C2)C1 1835930380 HPWHRFKXHKHGGY-XMMPIXPASA-N 476.298 -0.307 50 20 JBGD O=C(/C=C/c1cccc(O)c1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835932275 XNUPLBGRPFOYDV-VNXRSIPHSA-N 466.299 -0.145 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)c3cnn4ccccc34)C2)C1 1835937394 STBAHWVWYOOIPI-QHCPKHFHSA-N 464.287 -0.602 50 20 JBGD C[Si](C)(C)OCC(=O)N1CCO[C@]2(COCCN(C(=O)c3nccnc3C(N)=O)C2)C1 1837715278 GVOBDCVCTPVKHC-LJQANCHMSA-N 451.556 -0.503 50 20 JBGD CN(CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ncon3)C2)C1)NC(=O)NCc1ccccc1 1839054054 DUCWARUHUPKMFU-JOCHJYFZSA-N 487.517 -0.514 50 20 JBGD C[C@](O)(CC(=O)O)CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1840181179 SEBSWLRJNMSOLU-BMFZPTHFSA-N 455.277 -0.251 50 20 JBGD CCN(CC)S(=O)(=O)c1ccc(N2C[C@H](C(=O)NNC(=O)C(=O)NC3CC3)CC2=O)cc1 10213492 XCIFJUXMMUKXNF-CYBMUJFWSA-N 465.532 -0.504 50 20 JBGD Cn1nc2c(c1C(=O)N1CCO[C@@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C1)CCC2 1779037330 WFILKEKOXMJHIR-JOCHJYFZSA-N 453.503 -0.335 50 20 JBGD O=C(Cn1cccc([N+](=O)[O-])c1=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2 1781560663 YGWYHZWJSPFCLW-AUSIDOKSSA-N 498.301 -0.736 50 20 JBGD C[C@@H](NC(=O)c1ccccc1)C(=O)N1CC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1785558226 WZBSGMWXCCWWPF-MZNJEOGPSA-N 465.315 -0.372 50 20 JBGD C[C@H](Nc1cnccn1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1 1788610995 DLXVMWUDMVNTJI-USJZOSNVSA-N 468.518 -0.431 50 20 JBGD COC(=O)N[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2)c1ccccc1 1792803446 COHLQDZEMVXYBK-WOUAJJJCSA-N 496.524 -0.014 50 20 JBGD CC(C)n1nc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)cc1C(=O)O 1794433592 QZQCJPBZSNLENP-CCWDJLKJSA-N 470.291 -0.641 50 20 JBGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(N2CCCNC(=O)C2)n1 1794506813 PYTKYVQMHQXHNL-QOIOWGMHSA-N 479.965 -0.135 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc2ncccn2n1 1796957432 SJXKXBQUWNATLV-AHXAHQIOSA-N 465.474 -0.539 50 20 JBGD CC(C)(C)OC(=O)NCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797753658 DFPIJKJSDVNNRK-FVCICTRLSA-N 462.507 -0.587 50 20 JBGD Cc1cc(C(=O)NCC(=O)N2CC[C@H](CNC(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)no1 1807375706 PNBMSCQMIQXUNH-GCJKJVERSA-N 491.313 -0.193 50 20 JBGD CCOC(=O)N[C@H](O)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCC(=O)NN(C)C)n[nH]1 1822416177 UCFAINNUWJWIRY-CXAGYDPISA-N 453.500 -0.161 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C[C@H]2NC(=O)NC2=O)CC1 1828923408 IZVXCRZDZAEYRP-IAGOWNOFSA-N 471.518 -0.484 50 20 JBGD Cc1cn(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)CCl)CCO3)c(=O)nc1O 1830370887 SJEMUMDMEIGBFQ-FQEVSTJZSA-N 456.927 -0.021 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCc3ccoc3C1)CCO2 1830930303 KOUVHAZZIDZSTC-YADARESESA-N 468.315 -0.166 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(F)cn3)CCO2)C1 1834477128 GNMZHGRAZURUNC-OAQYLSRUSA-N 458.450 -0.397 50 20 JBGD Cc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)c1 1835931833 DLGZRNSCDXBDDO-DEOSSOPVSA-N 463.299 -0.070 50 20 JBGD C[Si](C)(C)OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835938220 QUBXSFKQTXWISB-HXUWFJFHSA-N 450.373 -0.712 50 20 JBGD O=C1CN(CC(=O)N2CCC(N3CCC(NC(=O)[C@@H](F)Br)CC3)CC2)C(=O)N1 1836413722 NATJKCRJUMBQKK-OAHLLOKOSA-N 462.320 -0.200 50 20 JBGD O=C1NCCCn2nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)C(Cl)Cl)C4)C3)cc21 1836781830 YZBPDOOQXODWCA-SFHVURJKSA-N 460.318 -0.110 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(Cl)nn1)CCO2 1837834034 NRAJHYIZRGQFFZ-HXUWFJFHSA-N 460.683 -0.806 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(Cl)ncn1)CCO2 1838259799 GWNDFANGTCYBFO-IBGZPJMESA-N 454.915 -0.427 50 20 JBGD CN(CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ncccn3)C2)C1)NC(=O)NCc1ccccc1 1839054183 KRUHGBYLWGBJKK-XMMPIXPASA-N 497.556 -0.107 50 20 JBGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)NC(=O)OC(C)(C)C)CCO2 1839388368 PAULYZFQMITZGK-CKFHNAJUSA-N 465.931 -0.460 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(O)ccc3O)CCO2)C1 1839448232 WXRYRSLFAGSFDI-JOCHJYFZSA-N 471.470 -0.520 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccnc3ncccc13)CCO2 1839541875 ORLKJZBELRXMJL-XMMPIXPASA-N 476.298 -0.307 50 20 JBGD CN1CCCn2nc(C(=O)N3CCO[C@]4(COCCN(C(=O)[C@H](O)CCl)C4)C3)cc2C1 1839620635 NDDYQPPKMGWCCB-YLJYHZDGSA-N 455.943 -0.612 50 20 JBGD CCOC(=O)O[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1839683797 MMWMNCCXJGWLTA-QKKBWIMNSA-N 479.490 -0.683 50 20 JBGD COC(=O)[C@@H]1CC[C@H](C(=O)N2CCOC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)C1 1840182275 CVZNKDVGJMYMQE-GSHUGGBRSA-N 468.551 -0.595 50 20 JBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)C3CCN(S(C)(=O)=O)CC3)cc2)CC1 728213682 GETRRXFYUBESBL-UHFFFAOYSA-N 459.594 -0.263 50 20 JBGD COc1cc2c(cc1OC)[C@@H](CC(=O)NNS(=O)(=O)c1cn(C)cn1)N(S(C)(=O)=O)CC2 751262800 GJVZDXIUPOLUEE-CQSZACIVSA-N 487.560 -0.304 50 20 JBGD O=C(COC(=O)C1=CC=CN2CCS(=O)(=O)N=C12)NNC(=O)[C@H]1COc2ccccc2O1 762383834 PAKIXBXVJFDNPS-OAHLLOKOSA-N 462.440 -0.985 50 20 JBGD CSCC[C@@H](NC(=O)COc1ccccc1)C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 919885241 KYLWQEXOQVSZSA-UKRRQHHQSA-N 458.562 -0.179 50 20 JBGD CN(C)c1cncc(C(=O)N2CCO[C@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)c1 1779028135 FCADCCNFTSNNOG-QFIPXVFZSA-N 453.503 -0.097 50 20 JBGD O=C(COC(=O)C(F)(F)F)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2 1779277591 DPVQNYYYUDVBRA-DNVCBOLYSA-N 472.225 -0.401 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(CCN(C(=O)c3cccn(C(F)F)c3=O)C2)C1 1779358989 JCXWROYUVBUUCR-OAQYLSRUSA-N 476.440 -0.001 50 20 JBGD Cc1cnc2c(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)c5cccc(B(O)O)c5)[C@H]4C3)cnn2c1 1786983892 DNALTQMHNICPHF-VDGAXYAQSA-N 463.303 -0.375 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(=O)nc4cccnn34)C[C@@H]21 1791290815 OEQKDLSGVKUHSB-ZOBUZTSGSA-N 471.518 -0.944 50 20 JBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CS(=O)(=O)N1CCCC1 1796886447 BOLCTFQJXZKXFB-QDMKHBRRSA-N 464.548 -0.638 50 20 JBGD Cc1ccc(C(=O)NCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(=O)NN(C)C)C3)cc1 1802120967 XLHFIDWGIJDHTD-OPMZPASUSA-N 459.547 -0.313 50 20 JBGD O=C(CN1CCCC1=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1806920232 FSRGCTMJEUVRDG-GCJKJVERSA-N 450.304 -0.297 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCCC3=O)CCO2)C1 1835409872 OXRAQHGSWNMCFJ-OLCUMFGGSA-N 474.518 -0.801 50 20 JBGD C[C@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)CNCP(=O)(O)O)CCO2)C1 1835537465 KIQNVTOEIPEMGE-DOMZBBRYSA-N 472.273 -0.801 50 20 JBGD CN(CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2)C(=O)c1ccccc1 1835927183 KLLTUGSPMJATFZ-RUZDIDTESA-N 495.341 -0.791 50 20 JBGD COc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)cc1N(C)C 1835931722 YUHQIYBWGOVFFZ-RUZDIDTESA-N 497.357 -0.175 50 20 JBGD COc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)ccc1[N+](=O)[O-] 1835934132 LYZPOULAQDVBDS-HSZRJFAPSA-N 499.285 -0.333 50 20 JBGD COc1cccc(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)c1F 1835934553 YKEDIKFQGYGHOR-QHCPKHFHSA-N 472.278 -0.102 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)c3nccc4occc34)C2)C1 1835935910 WLTRYWNGNBJFDT-QHCPKHFHSA-N 465.271 -0.109 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1ccc(F)cn1)CCO2 1836035632 ACLHIDBEVDUHKL-NRFANRHFSA-N 451.499 -0.407 50 20 JBGD CCOC(=O)N[C@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)Br)C2)C1 1837211121 HQWNHRIIDBZDHV-HWWQOWPSSA-N 452.302 -0.709 50 20 JBGD Cn1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)c(C(F)(F)F)n1 1837960714 PWKRGSSGCBWGAF-HXUWFJFHSA-N 496.251 -0.498 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)c1cc(Cl)ncn1)CCO2 1838255145 VXQHCXXXMLHNJW-FQEVSTJZSA-N 460.683 -0.806 50 20 JBGD O=C(CN(CCO)CCO)N1CCC(OC2CCN(C(=O)[C@H](F)Br)CC2)CC1 1838648065 IDSCHJQZORZDAM-KRWDZBQOSA-N 468.364 -0.038 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3Cc4ccccc4CN3C)C2)C1 1840183052 ZTZDCIZSZPRULM-SQJMNOBHSA-N 487.601 -0.128 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(-n4ccnc4)ccn3)C2)C1 1840185279 IOSATQFORCHWBS-QHCPKHFHSA-N 485.545 -0.290 50 20 JBGD CC(C)(C)OC(=O)N[C@H](CCO)C(=O)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843010314 BRDPHASRKKTUAX-QGZVFWFLSA-N 461.324 -0.541 50 20 JBGD Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CC3(CCCN3C(=O)c3ccc(B(O)O)cc3)C2)cc1 1843010417 NJXCSOKRKINVFZ-KRWDZBQOSA-N 485.371 -0.141 50 20 JBGD O=C1CN(S(=O)(=O)c2cccc(C(=O)NNC(=O)COc3ccc(F)cc3)c2)CCN1 906486604 NRKXPNYPXWLEIS-UHFFFAOYSA-N 450.448 -0.214 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)COC(=O)C(F)(F)F)CCO2)C1 1779032586 UUGOXNOXZHNZEW-KRWDZBQOSA-N 459.381 -0.766 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1779102309 GUZLBSOEEPPMNX-JCFVMIBISA-N 460.491 -0.342 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21 1784195560 YNRIOQQMCAROOZ-QXKUPLGCSA-N 463.959 -0.159 50 20 JBGD C[C@@H](Nc1ccccn1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786981192 XZZYZURNELZACY-LQJIQPLVSA-N 452.320 -0.145 50 20 JBGD CCOc1c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)cnc2c1cnn2C 1796073399 NUNMUYRFNQXXJM-CWPLJXCYSA-N 493.329 -0.436 50 20 JBGD CN(CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CC[C@@H](N)C(N)=O)NC(=O)NCc1ccccc1 1796085600 NUBYAIMHJATJGO-FCGDIQPGSA-N 473.578 -0.436 50 20 JBGD CC(C)(C)OC(=O)N1CC(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)C1 1797144497 NSJYJWRMBGQHAT-IZZQQSIFSA-N 473.335 -0.564 50 20 JBGD COC(=O)c1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(=O)NN(C)C)C3)c([N+](=O)[O-])c1 1799823107 IDYZCPFWGZVRCF-YVWYUNDQSA-N 491.501 -0.042 50 20 JBGD COCCOCCOCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2 1800840116 SSAGJTDJFDPAIB-UPHUGPLXSA-N 458.556 -0.981 50 20 JBGD COC[C@@H](Cl)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cn1cnc3c1c(=O)n(C)c(=O)n3C)C2 1802272655 CJIMIUPSFHNZSS-XJFOESAGSA-N 466.926 -0.674 50 20 JBGD CC(=O)N(C)CCC(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1804068365 YHSWHDXSVIFPNJ-UGKGYDQZSA-N 452.320 -0.051 50 20 JBGD O=C(O)CSCC(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807373315 BHRHSMRLOROZQT-JXFKEZNVSA-N 457.317 -0.101 50 20 JBGD CN1CCN(CC(=O)NC[C@H]2CCN(C(=O)CCC(=O)NN(C)C)[C@H]2c2cccnc2)CC1 1809604436 HAKUSCYIFYEUIN-XXBNENTESA-N 459.595 -0.292 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1CCN(C(=O)[C@H]2CCCS2(=O)=O)[C@H]1c1cccnc1 1810305235 JPCAAAAQRPEROR-IPELMVKDSA-N 486.554 -0.023 50 20 JBGD C[C@@H](C(=O)N[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1)N1CCN(C)CC1 1815343598 CMZGEKXIIPNTBM-WMLDXEAASA-N 471.392 -0.315 50 20 JBGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(=O)n3[nH]cnc3n1)CC2 1826084989 ABZDMNSIEFGOBS-JTQLQIEISA-N 473.519 -0.527 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)C[C@H]2NC(=O)NC2=O)CC1 1828923410 IZVXCRZDZAEYRP-SJORKVTESA-N 471.518 -0.484 50 20 JBGD COc1cnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)c(F)c1 1833634825 BYSJYHXKITVLIE-OAQYLSRUSA-N 467.498 -0.328 50 20 JBGD Cc1nc(C(=O)NC2CCN(C3CCN(C(=O)c4cccc(B(O)O)c4)CC3)CC2)c(=O)[nH]c1C 1833939034 HJKJZYZFCJTOOR-UHFFFAOYSA-N 481.362 -0.434 50 20 JBGD C[C@@H](C(=O)N1CCC(N2CCC(NC(=O)c3cnccc3C(=O)NN)CC2)CC1)n1cncn1 1835737385 NPUBELRPOMSLOL-HNNXBMFYSA-N 469.550 -0.277 50 20 JBGD NC[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1)c1ccccc1 1835812081 PCIZDSIUWFFOQA-URXFXBBRSA-N 467.331 -0.821 50 20 JBGD C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1)N1C[C@H]2C[C@H]2C1 1837287393 SSVRIMLPGFZEAE-QPHKYOTMSA-N 472.546 -0.905 50 20 JBGD Cc1nc[nH]c1CSCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1837329376 CFARUJFFFUXHKZ-QFIPXVFZSA-N 488.375 -0.599 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)C(=O)c3ccco3)C2)C1 1837456360 KZRDVENBRYGRNA-OAQYLSRUSA-N 457.443 -0.769 50 20 JBGD C[C@H](C(=O)N1CCC(OC2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1)n1ccnn1 1837920067 IMGQHOPKXAOCHR-MRXNPFEDSA-N 455.324 -0.169 50 20 JBGD Cc1n[nH]c(C)c1CC(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1839242382 ADHUJKJCXOZYAP-NRFANRHFSA-N 450.540 -0.602 50 20 JBGD Cc1nc(CC(=O)N2CCOC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)cs1 1840183074 ZYXOWSVOJMHTEN-HXUWFJFHSA-N 453.565 -0.177 50 20 JBGD CS(=O)(=O)N1CCN(CCNC(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)CC1 749353542 OMXAOJOUVOWLMC-UHFFFAOYSA-N 451.509 -0.901 50 20 JBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)CNS(=O)(=O)c2cccc(F)c2)cc1 913500042 FJNIRQUDZDZIQT-UHFFFAOYSA-N 472.520 -0.119 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)c3[nH]cnc3-c3cccnc3)C2)C1 1780051983 CJJLJFOHDPLSGL-HSZRJFAPSA-N 461.287 -0.091 50 20 JBGD C[C@H](C(=O)N1CC[C@@]2(CN(C(=O)CN(C)NC(=O)NCc3ccccc3)CCO2)C1)n1cnnn1 1784598933 YHFBYAXXQOERII-VGOFRKELSA-N 485.549 -0.590 50 20 JBGD CN(C)C(=O)NCC(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1802677597 RDIYOIOVSWCADI-XLIONFOSSA-N 453.308 -0.648 50 20 JBGD CCS(=O)(=O)CC(=O)NC[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1 1803518637 SAYUXUWDZLCGTE-JXFKEZNVSA-N 453.565 -0.105 50 20 JBGD CC[C@@H](NC(C)=O)C(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807366295 SQMUHIYEYQXWGB-TYPHKJRUSA-N 452.320 -0.004 50 20 JBGD O=C(NC[C@@H]1CCN(C(=O)[C@H]2CCCS2(=O)=O)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807372273 DAJRABJFEJYTSF-SXLOBPIMSA-N 471.344 -0.342 50 20 JBGD CNC(=S)NCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)CBr)CCO2 1830541098 XRPVCMQAGGEXBJ-GUYCJALGSA-N 465.414 -0.042 50 20 JBGD Cn1cc(CCC(=O)N2CCC(N3CCC(NC(=O)c4cccc(B(O)O)c4)CC3)CC2)cn1 1834801233 VLPLMAHQOOHCLE-UHFFFAOYSA-N 467.379 -0.082 50 20 JBGD Nc1nc2cc(C(=O)N3CCO[C@@]4(COCCN(C(=O)c5cccc(B(O)O)c5)C4)C3)ccc2s1 1835785996 USEUKPGIFIDKPF-HSZRJFAPSA-N 496.354 -0.058 50 20 JBGD CN1CCc2cc(C(=O)N3CCOC[C@]4(C3)CN(C(=O)c3cccc(B(O)O)c3)CCO4)ccc21 1835937442 WTDLWTZJIGTZDP-VWLOTQADSA-N 479.342 -0.258 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc4n(n3)CCCC4)CCO2)C1 1836977155 FPMUWKRCTGDNFU-QHCPKHFHSA-N 483.529 -0.398 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C(F)F)no3)C2)C1 1837457924 WTEBJGHBCGXLMH-FQEVSTJZSA-N 480.428 -0.006 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)c1[nH]cc3c1CCC3)CCO2 1838452161 OXMFEPYXKIRJQR-QHCPKHFHSA-N 453.304 -0.433 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)c1[nH]cc3c1CCC3)CCO2 1838452228 TVXTUEQMVBEZEW-HSZRJFAPSA-N 453.304 -0.433 50 20 JBGD CCOC(=O)O[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1839685845 CUTLNLHSENKPPS-YWZLYKJASA-N 458.512 -0.623 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1C[C@H]3CC[C@@H]1O3)CCO2 1840050035 XZRJAXRMKSFHPJ-MTZLEEOVSA-N 459.503 -0.677 50 20 JBGD CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)Br)C2)C1 1840371888 GYRWCKIHTVMYHD-CRFBAAHOSA-N 486.367 -0.303 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cnn(C)c3)CCO2)C1 1840464206 DQAPBBOYXZIUCU-LWROZRRASA-N 471.518 -0.447 50 20 JBGD O=C1CN(c2cccc(C(=O)N3CCCC34CN(C(=O)c3ccc(B(O)O)cc3)C4)n2)CCCN1 1842304802 PUKVWIOWNKWGQS-UHFFFAOYSA-N 477.330 -0.782 50 20 JBGD CC(C)(C)OC(=O)N1CC(=O)C[C@H]1C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cccc(B(O)O)c1 1847643074 WLWFTCPYCNOKDK-FHWLQOOXSA-N 471.319 -0.240 50 20 JBGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)Cn1cc(Br)c(=O)[nH]c1=O 24291035 IMICZWXHESKORM-UHFFFAOYSA-N 473.309 -0.638 50 20 JBGD O=C(CNC(=O)[C@H]1c2ccccc2C(=O)N1C1CC1)NNC(=O)c1ccc(-n2cnnn2)cc1 109456543 XFERFLFJNODIDF-LJQANCHMSA-N 460.454 -0.101 50 20 JBGD COc1cc2c(cc1OC)[C@@H](CC(=O)NN=Cc1cn(C)c(=O)n(C)c1=O)N(S(C)(=O)=O)CC2 839400110 KEUROYPSWNQUTL-MRXNPFEDSA-N 493.542 -0.500 50 20 JBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NCC(C)(C)N2CCN(C)CC2)cc1 916259091 UAPJABYOYHSZEU-UHFFFAOYSA-N 454.597 -0.028 50 20 JBGD COc1cc2c(cc1OC)[C@H](CC(=O)NNC(=O)CCNS(C)(=O)=O)N(S(C)(=O)=O)CC2 920436481 OJVOGMBMNSOUJT-AWEZNQCLSA-N 492.576 -0.961 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)c3nc4c(=O)[nH]c5ccccc5n4n3)C2)C1 1778054917 AJHCPBUOROBYTQ-HSZRJFAPSA-N 496.528 -0.613 50 20 JBGD COC(=O)N(CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1)Cc1ccccc1 1795737120 UOCOVEKKELZXMJ-JHDGKUDLSA-N 495.341 -0.162 50 20 JBGD Cc1nnc(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)s1 1797749847 YQPFOQAGKJPTHP-IVWMJMPLSA-N 459.532 -0.319 50 20 JBGD Cc1nn[nH]c1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN(C)NC(=O)NCc1ccccc1 1799095224 ZNSROJAAJHYTOG-XEMDLRDOSA-N 470.534 -0.337 50 20 JBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCN1C(=O)OC(C)(C)C)C2 1801010785 VQTWOPOSEWDHSF-RCJHGTSTSA-N 467.567 -0.042 50 20 JBGD CN(C)NC(=O)CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1n[nH]c3c1CS(=O)(=O)C3)C2 1802333359 WEUWVZARBKYOBX-CLLJXQQHSA-N 452.537 -0.537 50 20 JBGD C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1802481201 HIJDVCWIJRDVEN-SXWFDJJXSA-N 462.315 -0.061 50 20 JBGD CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnccc1C(=O)NN)C2 1802843691 BQHSGLOGECPRIL-PSFFPDNBSA-N 468.518 -0.593 50 20 JBGD O=C(NC[C@@H]1CCN(C(=O)Cn2ccccc2=O)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807371096 PLSFWSHXFNOGJN-CVDCTZTESA-N 460.299 -0.057 50 20 JBGD CC(C)CNC(=O)C(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1808443911 NPXSRWTWCZAKHU-QUCCMNQESA-N 452.320 -0.147 50 20 JBGD CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CC[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1 1813074025 NWKSPYXMUMHNJS-JXHRLWIKSA-N 498.588 -0.069 50 20 JBGD Cc1cccc(/C=C/C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)n1 1829722767 ZYOTZDJHWWHLKX-HBRDYDSTSA-N 465.315 -0.147 50 20 JBGD O=C([C@H](O)CCl)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCc3nc(O)nc(O)c3C1)CCO2 1833024226 GKWVTDJKALZDDQ-ASNKJTAVSA-N 470.910 -0.951 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1)c1cc(O)ncn1 1833554194 OAGBRIZYCABJOP-UHFFFAOYSA-N 453.308 -0.639 50 20 JBGD Nc1ncc(C(=O)NC2CCN(C3CCN(C(=O)c4ccc(B(O)O)cc4)CC3)CC2)s1 1834765608 NPEMJFFZGBINSW-UHFFFAOYSA-N 457.365 -0.096 50 20 JBGD Cc1cccnc1CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835927002 BFDVOWXLUIGCLF-DEOSSOPVSA-N 467.331 -0.227 50 20 JBGD N[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1)c1cccc(Cl)c1 1835935738 PBNSOMZZZPSLRF-REWPJTCUSA-N 487.749 -0.210 50 20 JBGD COc1cc(C(=O)NC2CCN(C3CCN(C(=O)c4ccc(B(O)O)cc4)CC3)CC2)nn1C 1836202364 LKAPUVBVPFESEC-UHFFFAOYSA-N 469.351 -0.393 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncc(F)cc3F)C2)C1 1837456322 KXDMQACAGLPWJN-NRFANRHFSA-N 476.440 -0.258 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3Cc4ccccc4O3)C2)C1 1837458808 DJVVWINMTOWKKT-YKSBVNFPSA-N 481.509 -0.241 50 20 JBGD Cc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)c1 1839451927 XEIFILRVDITRTO-DEOSSOPVSA-N 463.299 -0.070 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)c1nc3ccccc3o1)CCO2 1839500899 GBWZICHZBDPQKP-HSZRJFAPSA-N 465.271 -0.109 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3ccoc3)CCO2)C1 1840515324 HWDPFRNYALNODM-JOCHJYFZSA-N 457.487 -0.019 50 20 JBGD O=C(NNC(=O)c1cc(S(=O)(=O)NC[C@H]2CCCO2)ccc1Br)C(=O)NC1CC1 726620122 XDAXLPAVVYXEPN-LLVKDONJSA-N 489.348 -0.054 50 20 JBGD CCOc1cc(C=NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)ccc1O[C@@H](C)C(=O)N(C)C 730569372 XCVLQSUFTVXRBY-ZDUSSCGKSA-N 492.558 -0.024 50 20 JBGD CN(C)C(=O)Cn1cc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)nn1 919926000 CLTGJLGMXQRDID-UHFFFAOYSA-N 463.520 -0.384 50 20 JBGD CS(=O)(=O)c1cc(C(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)ccc1Br 1320975693 NMIOLDQYXZTEPE-VIFPVBQESA-N 454.324 -0.016 50 20 JBGD C[C@H](NC(=O)c1ccccc1)C(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779035667 LDMAFZNHPSDLTF-FYSMJZIKSA-N 480.525 -0.053 50 20 JBGD Cn1c(=O)c2c(ncn2CC(=O)N2CCO[C@]3(CCN(C(=O)CO[Si](C)(C)C)C3)C2)n(C)c1=O 1779294788 ZIUBTPROWYSWTG-NRFANRHFSA-N 492.609 -0.885 50 20 JBGD COC(=O)[C@@H]1CCC[C@@H](C(=O)N2CC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)C1 1783858090 DWNWDYCVPBFUBF-PMAPCBKXSA-N 458.320 -0.211 50 20 JBGD O=C1CC[C@@H](C(=O)N2CSC[C@@H]2C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](F)Cl)[C@H]3C2)N1 1787450857 XVXGJQPPWJWGQL-SFYOKDCNSA-N 476.958 -0.319 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)CS(C)(=O)=O 1793368815 WVDNCXILZOHFRJ-RMTJUBHUSA-N 467.548 -0.609 50 20 JBGD COC(=O)[C@H]1CCC[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)C1 1795736751 ISUVBBJPRWHTDX-IHEQNBGGSA-N 458.320 -0.451 50 20 JBGD CC(C)CNC(=O)C(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1808443939 NWUQCHZYTGUNLN-QUCCMNQESA-N 452.320 -0.147 50 20 JBGD O=C1NCCn2nc(C(=O)N3CCC4(CCCN(C(=O)c5cccc(B(O)O)c5)C4)CC3)cc21 1809976550 CVRUCXYNZQBACO-UHFFFAOYSA-N 465.319 -0.535 50 20 JBGD CC[C@H](NC(N)=O)C(=O)N1CC[C@H](CNC(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1810303899 WAQMAKNUXDAXNM-JLSDUUJJSA-N 468.518 -0.153 50 20 JBGD O=C(CNC(=O)c1cccnc1)N[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815336950 HWZPFFFIZBGHJS-MRXNPFEDSA-N 479.327 -0.126 50 20 JBGD O=C([C@@H](O)CCl)N1CCO[C@]2(COCCN(C(=O)C(F)(F)C(F)(F)C(=O)O)C2)C1 1830726965 YLVURKRRNZQKBQ-TVQRCGJNSA-N 450.769 -0.602 50 20 JBGD CN1CCCn2nc(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)[C@@H](O)CCl)CCO4)cc2C1 1830735055 CPEPWWARBQIINR-FXAWDEMLSA-N 455.943 -0.612 50 20 JBGD COc1ccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)cn1 1832580651 MIKQEGAJOUFWGH-XMMPIXPASA-N 483.330 -0.527 50 20 JBGD CCCNC(=O)CCC(=O)N1CCC(N2CCC(NC(=O)c3cccc(B(O)O)c3)CC2)CC1 1834799846 HSBHNNGLKJXZNA-UHFFFAOYSA-N 472.395 -0.142 50 20 JBGD C[C@H](C(=O)N1CCC(N2CCC(NC(=O)c3cccc(B(O)O)c3)CC2)CC1)N1C[C@H]2C[C@@H]2C1 1834801006 GEXKHHRNUTYLNI-MISYRCLQSA-N 468.407 -0.108 50 20 JBGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](CCN)NC(=O)OC(C)(C)C)CCO2 1835642531 QGRRTOMKLDBMSQ-MRUHUIDDSA-N 493.001 -0.061 50 20 JBGD O=C(c1ccc(Cl)nc1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835926651 WJFLINKYOBNCDR-OAQYLSRUSA-N 459.695 -0.201 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1cn3ccsc3n1)CCO2 1837047917 BRNHODJNERFEDB-OAQYLSRUSA-N 470.316 -0.541 50 20 JBGD C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1)N1CSCSC1 1837573864 IAVUTSBOXVLIAV-UZLBHIALSA-N 489.664 -0.141 50 20 JBGD COc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C(C)=N/NC(=O)c4ccc[nH]4)C3)C2)nn1 1838349622 WMKRHFOYUKFLFQ-VCOZGABYSA-N 485.501 -0.311 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(CN(C(=O)c3ccccc3C(N)=O)CCO2)C1 1839351180 USRRAHQYCRQIJK-HSZRJFAPSA-N 482.497 -0.832 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnn3c1OCCC3)CCO2 1839517509 IQVVTSKEESLDCA-VUEBRRCKSA-N 499.528 -0.130 50 20 JBGD CC[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN(C)C(=O)C(=O)O)C2)C1 1839966835 RAFXRZLSSZNUHU-SJKOYZFVSA-N 464.313 -0.841 50 20 JBGD COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843015060 DGFXBTUFDVWALN-KRWDZBQOSA-N 489.334 -0.360 50 20 JBGD COCCn1cnc2c1c(=O)n(CC(=O)NNC(=O)C(C)(C)NC(C)=O)c(=O)n2Cc1ccccc1 726768657 MACTXOGRHRAGPD-UHFFFAOYSA-N 499.528 -0.884 50 20 JBGD N#Cc1ccc(OCC(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)cc1 914457842 WGAJKHWWTXVNCT-UHFFFAOYSA-N 457.468 -0.481 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1COc3ccccc3O1)CCO2 1779029256 UQVKEYKUJXMGAP-XXBNENTESA-N 467.482 -0.031 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cc1cnccn1)C2 1779371109 DGVRNINYKITNKU-XMSQKQJNSA-N 453.503 -0.155 50 20 JBGD COc1nc(C)ccc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786980909 DHNPGRBQMHPKAP-VDGAXYAQSA-N 453.304 -0.014 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nccnc1C(N)=O)C2 1798524627 IAVPQYJRSIYJOT-FVCICTRLSA-N 498.452 -0.074 50 20 JBGD CN1CCN(CC(=O)N2CC[C@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2c2cccnc2)CC1 1810303212 QSGJLDBZASMNEP-XMSQKQJNSA-N 480.573 -0.353 50 20 JBGD C=CC(=O)N[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1810527171 NORPVWFEQHKOEC-FPDPHYFHSA-N 450.304 -0.228 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@H](CNC(=O)Cn2ccncc2=O)[C@@H]1c1cccnc1 1812343159 QKXMTTYJLXPMGZ-KKSFZXQISA-N 476.497 -0.343 50 20 JBGD CCS(=O)(=O)N[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1815162694 KZQBYPTVLXRGJO-DYVFJYSZSA-N 477.352 -0.277 50 20 JBGD Nc1n[nH]c(CCC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)n1 1828804476 IAYRHIMZSGWGRG-SFHVURJKSA-N 454.340 -0.067 50 20 JBGD CCS(=O)(=O)CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)CBr)CCO2 1830535584 QOCZCVYYXSNHGE-BBRMVZONSA-N 455.371 -0.092 50 20 JBGD COc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)n1 1833763715 VPPOPRHNALPRCQ-JOCHJYFZSA-N 455.276 -0.846 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)CN3CCCC3=O)CC2)CC1)c1ccc(B(O)O)cc1 1834797896 IXZXMVWTXUTIQX-UHFFFAOYSA-N 456.352 -0.826 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccn3cncc13)CCO2 1837113597 KCGAPPILIWWFQJ-QFIPXVFZSA-N 458.519 -0.223 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cc(F)ccn3)C2)C1 1837457017 SICGQRHYKBKONB-QHCPKHFHSA-N 486.504 -0.078 50 20 JBGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](COC(C)=O)OC(C)=O)CCO2 1837502133 JAQBRTUGMJISIS-FCEWJHQRSA-N 464.899 -0.809 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(F)nc3)CCO2)C1 1837846695 ZNWJGMFTYCEOLF-OAQYLSRUSA-N 458.450 -0.397 50 20 JBGD CC[C@H](NC(N)=O)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1837919366 JJBASBPZGCLXMX-IBGZPJMESA-N 460.340 -0.575 50 20 JBGD CC(C)n1nccc1C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1838024937 XIDOHZYOTLHXAC-NRFANRHFSA-N 450.540 -0.093 50 20 JBGD C[C@@H](C(=O)N1CCC(OC2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1)N1CCN(C)CC1 1838627397 WVXUJMSDNQSNGS-IBGZPJMESA-N 480.654 -0.006 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CC[C@H]3CCC(=O)N3C1)CCO2 1839084512 FNMAJZRWGLQGRY-BSRJHKFKSA-N 479.578 -0.783 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccccc3C(N)=O)CCO2)C1 1839351181 USRRAHQYCRQIJK-QHCPKHFHSA-N 482.497 -0.832 50 20 JBGD C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1)n1cccc1 1840352732 LSGFOIPRRYZXNR-OPAMFIHVSA-N 456.503 -0.182 50 20 JBGD CN[C@@H](CC(=O)N1CCCC12CN(C(=O)CN(C)NC(=O)NCc1ccccc1)C2)C(=O)O 1842952376 PYQCKVWRMHDNSF-KRWDZBQOSA-N 460.535 -0.401 50 20 JBGD O=C(COC(=O)CCN1C(=O)NC2(CCCC2)C1=O)NNC(=O)[C@H]1COc2ccccc2O1 918059114 SQYSPUJDCGZYIY-OAHLLOKOSA-N 460.443 -0.228 50 20 JBGD CCn1cnc2c1c(=O)n(CC(=O)NNC(=O)CN(C)C(=O)OC)c(=O)n2Cc1ccccc1 919703622 WYQRQQQSDKLISM-UHFFFAOYSA-N 471.474 -0.727 50 20 JBGD COc1cc2c(cc1OC)[C@H](CC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)N(S(C)(=O)=O)CC2 920297802 PLWHVOQJJYYCIU-FZMZJTMJSA-N 492.576 -0.962 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1CNC(=O)O1)C2 1778091548 KGRXCNOWHWZNAK-ICSTVOKLSA-N 460.491 -0.257 50 20 JBGD C[C@@H](NC(=O)c1ccc(F)cc1)C(=O)N1CC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1780904433 IUFAKMSMTNKHHN-GYCJOSAFSA-N 483.305 -0.233 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H]2CNC(=O)C2)C1 1781778729 VIPJXLQSWVOPFI-TYEBVYPTSA-N 458.519 -0.230 50 20 JBGD C[C@@H](Nc1cccnc1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786979506 RATSKKJMOWQKPW-GWKIZSTFSA-N 452.320 -0.145 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1cc2n(n1)CCCC2 1788352773 WSMNOKLKJFPAAO-LRQRDZAKSA-N 452.320 -0.194 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)[C@H]1CCc2nc[nH]c2C1 1791526882 SCQBCLZXFDXWER-MWUWBQKZSA-N 452.320 -0.512 50 20 JBGD COC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)[C@H]2C1 1792272013 DVAQUWGIQFMBME-QXKUPLGCSA-N 490.985 -0.011 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc(C(F)(F)F)cn1)C2)c1ccc(B(O)O)cc1 1795734581 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50 20 JBGD CN(CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCC(=O)N1C)NC(=O)NCc1ccccc1 1799374118 WDPJRGVYAGERIA-WEMPKCCASA-N 486.573 -0.457 50 20 JBGD CC(=O)N/C(=C\c1ccco1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1799685557 BIWAJMGZLGGRJC-VJBPLNIYSA-N 482.497 -0.342 50 20 JBGD CN(C)C(=O)NCC(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1802677561 QQFUOGWEVNDYGI-PXNSSMCTSA-N 453.308 -0.648 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc(Cl)nc3)CCO2)C1 1829519714 PDGWBLHZICHVMD-HXUWFJFHSA-N 475.893 -0.488 50 20 JBGD O=C(/C=C/c1ccc([N+](=O)[O-])o1)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1830907472 ZVSFXDNSPAGBMQ-HVPBSWBLSA-N 485.258 -0.349 50 20 JBGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(=O)c3cccnc3)CCO2)C1 1832731317 DYTIKADSGRVJDZ-UZLBHIALSA-N 454.911 -0.478 50 20 JBGD Cn1cc(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)c(C(F)(F)F)n1 1835931367 PCBLVSXWYKQKOB-FQEVSTJZSA-N 496.251 -0.498 50 20 JBGD 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470.504 -0.373 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CSCC(=O)O)C2 1779375994 UKAFCSCHTRPGSW-FOIQADDNSA-N 465.532 -0.370 50 20 JBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](F)Br)C2)[C@H](O)N1CCOCC1 1779415407 JCFKYYYCSMCETP-UTJXIGIESA-N 452.321 -0.159 50 20 JBGD CN(CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)COCCO)C2)NC(=O)NCc1ccccc1 1780559422 LNEXBERWQYIWDP-HYBUGGRVSA-N 491.589 -0.145 50 20 JBGD COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1783851365 OYPBXTFANPKMJS-MFEFFIJZSA-N 471.514 -0.116 50 20 JBGD Cc1nc(O)c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)nc1C 1785572827 FLTOHHXDGWAHDA-SZMVWBNQSA-N 454.292 -0.614 50 20 JBGD COc1ncc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)cc1C 1786270311 RLZWGOMSRZCECN-VDGAXYAQSA-N 453.304 -0.014 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](N)CCC(N)=O)[C@H]2C1 1786800388 SWMCHNFBDDLYRM-QXKUPLGCSA-N 490.001 -0.309 50 20 JBGD 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CN1CCN(CCC(=O)NC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)CC1 1806912199 QYULREQQYDXBQT-URXFXBBRSA-N 479.390 -0.282 50 20 JBGD C=CC(=O)N[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807374517 HQAHNLLJVCGOLX-FQELHTAISA-N 450.304 -0.228 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(C)n(C)n1)CCO2 1834118676 YNDSQRMVSVJVBF-OLCUMFGGSA-N 471.518 -0.067 50 20 JBGD Cc1ccc(S(=O)(=O)CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)cc1 1835184445 WRSGKOYMOLNZTD-PXNSSMCTSA-N 474.963 -0.175 50 20 JBGD CCCC(=O)N[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1835818352 FLSXTQHQWOPOEI-KRWDZBQOSA-N 472.395 -0.144 50 20 JBGD O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835939023 BYZBJVCTUFVVEZ-QFIPXVFZSA-N 487.249 -0.203 50 20 JBGD CC(C)N1CCC[C@H]1C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835940197 YVZRSYKLFLLNCO-REWPJTCUSA-N 459.352 -0.691 50 20 JBGD COc1ccc(C(=O)NC2CCN(C3CCN(C(=O)c4ccc(B(O)O)cc4)CC3)CC2)nn1 1836056685 NTTGHRHANGGZIO-UHFFFAOYSA-N 467.335 -0.336 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(O)c([N+](=O)[O-])c1)CCO2 1839275115 KPAXLLTZEMTJHC-NRFANRHFSA-N 479.490 -0.257 50 20 JBGD C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1840089438 QVKPDVJZIDCNHH-WAIKUNEKSA-N 491.350 -0.650 50 20 JBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc4ncnn4c3)C2)C1 1840153870 DILLYFZVUVRZHV-OXJNMPFZSA-N 451.911 -0.018 50 20 JBGD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1840880103 WNEGQUDJFQZQJB-PIBOFXKISA-N 456.879 -0.127 50 20 JBGD COc1cc(/C=C(\C#N)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)ccc1OCC(=O)N1CCOCC1 16881366 KJTXNJUSEIEEMR-XNTDXEJSSA-N 483.481 -0.298 50 20 JBGD Cc1csc(CC(=O)NNC(=O)COC(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)n1 728723846 WOJXYHCKTZVZFL-UHFFFAOYSA-N 472.501 -0.388 50 20 JBGD O=C(NNC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)c1cccc(S(=O)(=O)N2CCCC2)c1 914830382 RGHHFZAZRHMRBB-HOTGVXAUSA-N 498.583 -0.732 50 20 JBGD Cn1nc(Br)c2c(=O)n(CC(=O)NNC(=O)C3CCN(c4ncccn4)CC3)cnc21 1326379008 BOEOYZWZBAEDPB-UHFFFAOYSA-N 490.322 -0.254 50 20 JBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2)c1cnn2ncccc12 1777946895 DKQIJMDNGTWYNQ-NFBKMPQASA-N 463.303 -0.150 50 20 JBGD CN(CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnnn3C)[C@H]2C1)NC(=O)NCc1ccccc1 1785466042 DQSWIQMONNFYFR-BJLQDIEVSA-N 484.561 -0.245 50 20 JBGD CC(=O)N(C)[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C[C@@H]21 1787517148 UNBRHIBPYNMWPS-XMXLPQLASA-N 460.535 -0.033 50 20 JBGD COC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C[C@@H]21 1791257452 IAYSIAPQMXEBID-YXWQFLTLSA-N 456.883 -0.010 50 20 JBGD C[C@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1792871266 TYFQFUVSWXQSOF-MCYUEQNJSA-N 454.325 -0.081 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)nc(Cl)c1 1794415424 HLQWJTADNQPFNG-DPIQGUFMSA-N 460.878 -0.044 50 20 JBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)Cc1ccccc1)C2 1797753847 IGQZHJIHHCOJIC-WOUAJJJCSA-N 453.499 -0.508 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@@H](CNC(=O)CN2CC(=O)NC2=O)[C@@H]1c1cccnc1 1804187355 ONDBEYKTLQJJGK-IRBZMGECSA-N 494.512 -0.227 50 20 JBGD CCC(=O)N[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807363344 DESZPUXRNZCXPF-FPDPHYFHSA-N 452.320 -0.004 50 20 JBGD COC(=O)NCC(=O)N1CC[C@H](CNC(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1810305916 QGDREKAOXBXBQT-RDTXWAMCSA-N 455.475 -0.244 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)C[C@H]2NC(=O)NC2=O)[C@H]1c1cccnc1 1813069817 CMRHDLHQYUWYRR-KHYOSLBOSA-N 459.507 -0.942 50 20 JBGD O=C(CCN1CCOCC1)Nc1nc2c(s1)C[C@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1814639272 RYUAMIBCLFKKEC-MRXNPFEDSA-N 458.349 -0.229 50 20 JBGD O=C(CN1CCS(=O)(=O)CC1)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1815671376 PHHBWSSJHVOFPF-GOSISDBHSA-N 489.363 -0.874 50 20 JBGD O=C(/C=C\C(=O)NC1CC1)Nc1nc2c(s1)C[C@H](NC(=O)c1cccc(B(O)O)c1)CC2 1819526217 SYORCHRWMMCBEB-WHLNPGIBSA-N 454.317 -0.117 50 20 JBGD CS(=O)(=O)CCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cnccc1C(=O)NN)CC2 1827208938 RHBDBWGRAQMSBA-JTQLQIEISA-N 466.545 -0.198 50 20 JBGD N=C(N)NCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCN2C(=O)OCc1ccccc1 1828551271 LROQSQCCBXEGQO-KKSFZXQISA-N 480.953 -0.479 50 20 JBGD CN1CCC(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)CC1 1829890620 KFQUOIXODCEBDE-QFIPXVFZSA-N 460.535 -0.903 50 20 JBGD CN(C)C(=O)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](CCl)NC(=O)OC(C)(C)C)CCO2 1832549083 DOEJFVWZYJRALL-VBKZILBWSA-N 476.958 -0.337 50 20 JBGD CNc1nsnc1C(=O)NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1833071112 FYZDZPHBUFBRAB-UHFFFAOYSA-N 472.380 -0.241 50 20 JBGD NC(=O)c1ncccc1C(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834797538 WDITZEZGYJKDNL-UHFFFAOYSA-N 479.346 -0.641 50 20 JBGD C[C@H](C(=O)NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1)N1CCN(C)CC1 1836371842 BJMIGWBTNISFQV-LJQANCHMSA-N 485.438 -0.813 50 20 JBGD Cc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)o1 1837460342 BXRLMANLJCMUPR-JOCHJYFZSA-N 457.487 -0.101 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCCSC3)C2)C1 1837461323 UMASWMOJXKQBGM-YCRPNKLZSA-N 463.560 -0.102 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(C(F)(F)F)nn1C)CCO2 1838080598 CGRRMTBTUVWXCF-LJQANCHMSA-N 490.483 -0.118 50 20 JBGD CC(C)(C)OC(=O)NCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1840801530 BQBGPYNJNMDMOF-QHCPKHFHSA-N 491.350 -0.649 50 20 JBGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)C1(C(=O)NC2CC2)CC1 749714990 FMLHVWHBYXXUGF-UHFFFAOYSA-N 464.544 -0.154 50 20 JBGD CNS(=O)(=O)c1cc(C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)ccc1OC 787533834 OGGZNDJSIXBSGM-INIZCTEOSA-N 479.467 -0.253 50 20 JBGD CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)NNC(=O)CCN2C[C@H](C)O[C@@H](C)C2)cc1 912919873 RZXXLZVFTPMZDI-GJZGRUSLSA-N 470.548 -0.212 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CCO2)C1 1779030257 MRIIPYOMVFRKCU-XMMPIXPASA-N 491.508 -0.079 50 20 JBGD CCOC(=O)c1cc(C(=O)N2CC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)ccn1 1780319438 LVLKPOCENXJNTQ-HSZRJFAPSA-N 467.287 -0.305 50 20 JBGD CN(CC(=O)N1CC[C@]2(CN(C(=O)CSC(=N)N)CCO2)C1)NC(=O)NCc1ccccc1 1780969422 GNMCDONXTMGKCH-OAQYLSRUSA-N 477.591 -0.211 50 20 JBGD O=C1CC[C@@H](C(=O)N2CSC[C@@H]2C(=O)N2CC[C@@]3(CN(C(=O)[C@@H](F)Cl)CCO3)C2)N1 1782873375 SASQPGFWIIUYMT-NXKACYDGSA-N 462.931 -0.469 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)[C@@H]1Cc2ccccc2CN1 1787413461 LRNBJMQWNWQJDI-UDIDDNNKSA-N 463.343 -0.326 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCOCC3)C[C@@H]21 1787508586 AVXNFAAQEPOJRY-MPKALDKKSA-N 460.535 -0.568 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc4n(n3)CCC4)[C@H]2C1 1788414170 CIHMTKCINHAVFO-IXDGSTSKSA-N 453.503 -0.265 50 20 JBGD CCS(=O)(=O)N[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](F)Br)[C@H]2C1 1789921646 UICAEHABHWRPQC-PJSNJIKXSA-N 458.350 -0.016 50 20 JBGD COCCOCCOCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1 1791293113 JLPMOEHYQDLCOH-FHWLQOOXSA-N 472.583 -0.591 50 20 JBGD CN1Cc2ccccc2C[C@@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795737194 BVLRBHIBIIPNDH-IRMYBRCSSA-N 463.343 -0.374 50 20 JBGD COC(=O)CSCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C(C)=N/NC(=O)c1ccc[nH]1 1796439639 UGEQIVNRRZVFTB-UXTUBLPOSA-N 465.532 -0.384 50 20 JBGD C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C 1801012077 ARNPFRCFASPMPU-ZXFNITATSA-N 455.556 -0.138 50 20 JBGD COC[C@H](NC(C)=O)C(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807373365 ACUZGWGSSSTEFB-HLAWJBBLSA-N 468.319 -0.768 50 20 JBGD O=C(Cn1ccncc1=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1812342212 VOZTWRNUTQLWSW-PGRDOPGGSA-N 461.287 -0.662 50 20 JBGD COC(=O)[C@@H]1CC[C@@H](C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)C1 1830708935 QQPGRHFXBCBGIP-PNCHPQGNSA-N 474.319 -0.974 50 20 JBGD C[C@@H](O)[C@H](NC(=O)c1ccccc1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830719776 KHOGNADWJVCFCB-OBUYZQBDSA-N 483.949 -0.778 50 20 JBGD O=C(CNC(=O)c1cccnc1)NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1833772086 REYSDFRVMVDLIE-UHFFFAOYSA-N 493.373 -0.623 50 20 JBGD O=C(CCCn1cccc1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835934158 NGQRFJMPSOKVIZ-HSZRJFAPSA-N 455.320 -0.282 50 20 JBGD Cc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)cnc1C 1835934979 AEILYKAENJRMRZ-HSZRJFAPSA-N 453.304 -0.238 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)c3ccn(C(F)F)n3)C2)C1 1835937944 BWHIPDIBTVDYJK-FQEVSTJZSA-N 464.234 -0.658 50 20 JBGD O=C(CCc1ccc(O)nn1)NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1836502324 DTGYJRQCAHQHJC-UHFFFAOYSA-N 481.362 -0.320 50 20 JBGD COC(=O)CCCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnccc1C(=O)NN)CCO2 1837460334 BRXRHNCYZJPNQO-HSZRJFAPSA-N 491.545 -0.121 50 20 JBGD CCOC(=O)N[C@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](F)Br)CCO2)C1 1839200172 HDLHVUJWFVGHDS-FIXISWKDSA-N 456.265 -0.802 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(O)cc1F)CCO2 1839315924 SJMFWQISQIBABG-JOCHJYFZSA-N 458.251 -0.405 50 20 JBGD O=C(CCCn1cccc1)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1840460336 JFTFNXOPFQGATF-QHCPKHFHSA-N 455.320 -0.282 50 20 JBGD CC(C)(C)OC(=O)N1CC[C@H](C(=O)N2CC3(CCCN3C(=O)c3ccc(B(O)O)cc3)C2)[C@H](O)C1 1843009744 DNBSVBXTGKHGQQ-RBUKOAKNSA-N 487.362 -0.199 50 20 JBGD CC(C)(C)OC(=O)N1CCOC[C@@H]1C(=O)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843013132 NFRKETOKUFDHLD-GOSISDBHSA-N 473.335 -0.181 50 20 JBGD O=C(NNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)N[C@H]1CCS(=O)(=O)C1 919885195 NSDRBCOQRCCELH-JSGCOSHPSA-N 462.525 -0.256 50 20 JBGD CN(C)c1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)cn1 1779032197 GKBCRVVOCNWIQV-QFIPXVFZSA-N 453.503 -0.097 50 20 JBGD CN(CC(=O)N1CC[C@]2(C1)CN(C(=O)c1ncon1)CCO2)NC(=O)NCc1ccccc1 1780969046 UFZGALHSQOEVEC-NRFANRHFSA-N 457.491 -0.141 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](O)NC(=O)OC(C)(C)C)C2)C1 1781858816 NQHWJKMVAMVPNW-UZLBHIALSA-N 457.528 -0.968 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](C)n2cnnn2)C1 1782607213 YEOKAGKEAHIGIP-BNMXHOPLSA-N 471.522 -0.118 50 20 JBGD CCOc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cnccc4C(=O)NN)C[C@@H]32)nn1 1789397030 RANDQKJQHGWORC-OWQGQXMQSA-N 469.502 -0.219 50 20 JBGD C[C@@H](CN)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN(C)NC(=O)NCc3ccccc3)[C@H]2C1 1789726610 DTKSYJWYPSWONX-LEAZDLGRSA-N 460.579 -0.093 50 20 JBGD Cn1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)c(C(F)(F)F)n1 1795734771 ZKDITMXRLTZCMP-YWVIFJGQSA-N 466.225 -0.364 50 20 JBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1snnc1C1CC1)C2 1797750458 AENXCGSDXXFUKL-JJLQDPRZSA-N 457.516 -0.069 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)N1CCOCC1 1797803954 WNDYTBXXIOOKAU-DAMNHTQYSA-N 492.485 -0.626 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)C1CCN(c2ccccn2)CC1 1799088884 OEMBWHRSYXGYKY-JHDGKUDLSA-N 478.358 -0.119 50 20 JBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(-n3cccn3)nc1)C2 1801011920 UREHIMPLMMSPNN-UPHUGPLXSA-N 455.519 -0.157 50 20 JBGD Cc1cn(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](C)CBr)C3)c(=O)nc1O 1801969559 FVXCKJVRVAWAEM-IKVITTDRSA-N 457.325 -0.122 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1CCN(C(=O)CN2C(=O)C=CC2=O)[C@@H]1c1cccnc1 1810304188 ANAIDQIGGYTDJM-YCRPNKLZSA-N 477.481 -0.675 50 20 JBGD CN1CCN(CC(=O)N[C@@H]2CCc3nc(NC(=O)CCC(=O)NN(C)C)sc3C2)CC1 1826086489 WPANVONFNZQFBP-CQSZACIVSA-N 451.597 -0.325 50 20 JBGD O=C(NCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2)c1ccccc1 1830738463 QBHUSSBYJVSDQG-DYESRHJHSA-N 453.923 -0.137 50 20 JBGD Cc1cn(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)c(=O)nc1O 1832773661 NATHOEKAJIRWDQ-FQEVSTJZSA-N 482.346 -0.129 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(Cl)nc1F)CCO2 1833264893 LKSSARZUFFMUQE-NRFANRHFSA-N 477.685 -0.062 50 20 JBGD COc1ccc(C(=O)N2CCC(N3CCC(NC(=O)c4cccc(B(O)O)c4)CC3)CC2)nn1 1834801099 LIJQJWFQPOWQDN-UHFFFAOYSA-N 467.335 -0.336 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC1CCN(C2CCN(C(=O)CCN3C(=O)C=CC3=O)CC2)CC1 1835737201 WALJAOMGZNBAGT-UHFFFAOYSA-N 497.556 -0.815 50 20 JBGD CCOC(=O)N[C@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@](C)(Cl)CCl)C2)C1 1837209346 POLAMMRZLWFRFP-JLZZUVOBSA-N 456.323 -0.256 50 20 JBGD CC(=O)O[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1)C(C)C 1837221946 MQBKCVYGNKZYBJ-GCJKJVERSA-N 477.518 -0.657 50 20 JBGD Cc1nc[nH]c1CSCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1837330031 TXZCNDMQPIWECA-QFIPXVFZSA-N 488.375 -0.599 50 20 JBGD CCOC(=O)O[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837459325 CQCGFFSCSKNVHB-SPLOXXLWSA-N 479.490 -0.683 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3ccnc3C)CCO2)C1 1839714477 VRWMQMLXNXJKJH-LWROZRRASA-N 471.518 -0.218 50 20 JBGD C[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=O)C(F)(F)F)CCO2)C1 1840203769 RFCVHIQYDKQTCO-IINYFYTJSA-N 460.247 -0.095 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CC[C@H](O)CC1)CCO2 1840270402 UCMMIRJTWAXEAW-WCJKSRRJSA-N 461.519 -0.694 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCc3nc[nH]c3C1)CCO2 1840365414 JSMLPLRPFOTEKS-AOMKIAJQSA-N 462.551 -0.656 50 20 JBGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)c1 746386235 PSRDXEKGHRZNQU-SFHVURJKSA-N 495.602 -0.341 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)[C@@H]3ON=C(c4ccccc4)O3)C2)C1 1778870526 VSOJBVFBNWEULE-GOTSBHOMSA-N 465.271 -0.455 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CC(F)(F)C(=O)O)C2 1779373376 OCCDBWWMZSHSFN-AUUYWEPGSA-N 469.445 -0.077 50 20 JBGD COc1cccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cnccc4C(=O)NN)C[C@@H]32)n1 1785809007 DOOPOQSXGYMYDI-OWQGQXMQSA-N 454.487 -0.004 50 20 JBGD Cc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)ncc1[N+](=O)[O-] 1786983322 NPRKMWXSDJMJFX-KNBMTAEXSA-N 468.275 -0.115 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CC(=O)N(C2CCCC2)C1 1793777514 USUGVTZUFBYIPO-CMBDLQSPSA-N 484.557 -0.321 50 20 JBGD Cc1ccc(=O)n(C(C)(C)C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)n1 1797751763 RFFDURPCNFORTE-CCWDJLKJSA-N 483.529 -0.811 50 20 JBGD C[C@H](CC(N)=O)C(=O)NC[C@@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1803666832 LXOVFQCYPWXHMN-WTANOLMUSA-N 453.503 -0.089 50 20 JBGD CS(=O)(=O)Cc1ncccc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830724873 IXTRKDDKXWTWRY-VQIMIIECSA-N 475.951 -0.704 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCc3ccccc3[C@@H]1O)CCO2 1830821301 DCKZEYAHLJTAKO-UMFSSWHCSA-N 494.353 -0.268 50 20 JBGD CC(=O)N[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1)C(C)(C)C 1831093141 FKXWQPOUQCBGLU-KNQAVFIVSA-N 469.583 -0.633 50 20 JBGD Cc1cccnc1CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1832776700 YEMLPGCAXMXFIH-DEOSSOPVSA-N 467.331 -0.227 50 20 JBGD C[C@@](O)(C(=O)NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1)C(F)(F)F 1833640547 IWMMFUZUDAESNH-HXUWFJFHSA-N 471.285 -0.135 50 20 JBGD Cc1nccnc1C(=O)N1CCC(N2CCC(NC(=O)c3cccc(B(O)O)c3)CC2)CC1 1834801285 VVPNGOJQDFKQJF-UHFFFAOYSA-N 451.336 -0.036 50 20 JBGD C[C@@H](CC(N)=O)C(=O)N1CCC(N2CCC(NC(=O)c3cnccc3C(=O)NN)CC2)CC1 1835737091 MJKDNTMDPCRTPG-AWEZNQCLSA-N 459.551 -0.618 50 20 JBGD CCOc1ncccc1C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835933978 KILNDNTXOKIYCZ-QHCPKHFHSA-N 469.303 -0.456 50 20 JBGD COC(=O)[C@@H]1CCC[C@H](C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)C1 1835934262 QQOILMFTYCEKIV-GLDPYIMESA-N 488.346 -0.584 50 20 JBGD Cc1ccc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)nc1 1835935607 VOIWOBXUYHJVIQ-XMMPIXPASA-N 467.331 -0.227 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc4nccn34)C2)C1 1837460067 RSRWYTXYHRQSKV-HSZRJFAPSA-N 479.497 -0.283 50 20 JBGD CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](F)Br)CCO2)C1 1839201850 LGNCLLOOWCNBLX-JKDFXYPNSA-N 484.319 -0.024 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccn3nccc13)CCO2 1839539011 WQZIVKOPFPTKDW-HSZRJFAPSA-N 464.287 -0.602 50 20 JBGD CN1CCCn2nc(C(=O)N3CCO[C@]4(COCCN(C(=O)CCC(=O)NN(C)C)C4)C3)cc2C1 1839622372 AJINPLLVHVPCMZ-QHCPKHFHSA-N 491.593 -0.838 50 20 JBGD CCN(CC)C[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1839677666 HTRCRHNHEODRTN-GAJHUEQPSA-N 476.578 -0.267 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnc4c3OCO4)C2)C1 1840185617 QEAFXUHSFFEXHW-NRFANRHFSA-N 463.491 -0.747 50 20 JBGD COC(=O)c1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)cc1 1840277628 HJGGICJTWYWURC-RUZDIDTESA-N 496.325 -0.534 50 20 JBGD Cc1cn2c(=O)c(C(=O)N3CCCC34CN(C(=O)c3ccc(B(O)O)cc3)C4)cnc2s1 1843784977 BDTJJJVNUFOPKJ-UHFFFAOYSA-N 452.301 -0.125 50 20 JBGD CCS(=O)(=O)N[C@@H](C)C(=O)N1CC2(CCCN2C(=O)CN(C)NC(=O)NCc2ccccc2)C1 1845038262 KUWRIZIKRZWOGW-KRWDZBQOSA-N 494.618 -0.136 50 20 JBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NCCCN2CCCS2(=O)=O)cc1 726276912 QNUGHDKASZPYPE-UHFFFAOYSA-N 461.566 -0.628 50 20 JBGD CC(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)CN(C)NC(=O)NCc3ccccc3)C2)C1 1780968715 PGTOMJRLOXOYGX-GAJHUEQPSA-N 474.562 -0.313 50 20 JBGD CN(CC(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1)NC(=O)NCc1ccccc1 1783566145 ZLWZBXJCSHTIGI-JOCHJYFZSA-N 457.487 -0.750 50 20 JBGD COC(=O)c1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)cn1 1787605662 ORNANYPOZZDOEM-QRFRQXIXSA-N 467.287 -0.545 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=C/C(=O)NCc3ccco3)[C@H]2C1 1788720860 RUSTVPCEEXWNTK-VYPWOACLSA-N 475.546 -0.195 50 20 JBGD O=C(Cc1cn2c(nc1=O)SCC2)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21 1789708903 KMHIENOAVGPXAW-MXAVVETBSA-N 456.952 -0.529 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cncn1-c1ccncc1)C2)c1cccc(B(O)O)c1 1795737352 UWXXLGBNDPNWGD-UPHUGPLXSA-N 461.287 -0.536 50 20 JBGD COc1ccc(COCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)cc1 1795740966 SOYQTVBUEVRWJO-BBIADKPPSA-N 468.315 -0.205 50 20 JBGD COCCn1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C(C)=N/NC(=O)c2ccc[nH]2)n1 1796440272 KBVLWGVTMTZQOM-ZPHZMXASSA-N 471.518 -0.133 50 20 JBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1[nH]cnc1-c1cccnc1)C2 1797753105 SVOGOURTZHWYCF-JLVBRIDZSA-N 476.497 -0.013 50 20 JBGD CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](F)Br 1799352432 WTAPLBYYMSDYOR-OBRUSBNWSA-N 460.304 -0.263 50 20 JBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1cccc([N+](=O)[O-])c1=O 1801355341 DSWBTEZOBWJKKF-BTTYYORXSA-N 469.458 -0.293 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@H]1CCN(C(=O)CCc2nc(N)n[nH]2)[C@H]1c1cccnc1 1810303302 SZGHACZVJHOFJR-KUHUBIRLSA-N 478.517 -0.267 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)Cn2ccncc2=O)[C@H]1c1cccnc1 1812345184 LSVPQDFXQHIMMI-VGOFRKELSA-N 455.519 -0.283 50 20 JBGD O=C(CCN1C(=O)C=CC1=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1815472188 RHWCEOMTBQHYNT-KRWDZBQOSA-N 465.275 -0.290 50 20 JBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1CCc2nc(NC(=O)CN3C(=O)C=CC3=O)sc2C1 1826318808 RPCTZWIMUAWYRM-SNVBAGLBSA-N 469.483 -0.708 50 20 JBGD C[C@@H](O)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1829326762 SQQBVZJGOIIUIF-IQGLISFBSA-N 495.341 -0.187 50 20 JBGD Nc1c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)sc2nccnc12 1830723087 KZRLFPDDZBNYKD-ZMZPIMSZSA-N 455.924 -0.057 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)c3cc4cccnn4n3)CC2)CC1)c1cccc(B(O)O)c1 1834801342 ZHFYHYKOUWMRMX-UHFFFAOYSA-N 476.346 -0.092 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)c3cn4cc(F)ccc4n3)C2)C1 1835930396 IIOOHQRCCZGWPJ-QHCPKHFHSA-N 482.277 -0.463 50 20 JBGD COc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)cc1 1835931384 PQQAXONAKHNDFJ-QHCPKHFHSA-N 454.288 -0.241 50 20 JBGD COc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)ccc1O 1835931719 YSHMTHMAJJMNKN-QHCPKHFHSA-N 470.287 -0.536 50 20 JBGD COc1ccc(F)cc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835934134 MBZVSALTPQVJKJ-HSZRJFAPSA-N 472.278 -0.102 50 20 JBGD N[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1)c1cccc(Cl)c1 1835935736 PBNSOMZZZPSLRF-NZQKXSOJSA-N 487.749 -0.210 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(F)nc3)C2)C1 1837458802 DBCWCTVQRWZOAU-OAQYLSRUSA-N 458.450 -0.397 50 20 JBGD Cc1nccnc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837459474 RCFXFMJLFQEGSQ-OAQYLSRUSA-N 455.475 -0.833 50 20 JBGD O=C(/C=C/C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1)NCc1ccco1 1837633154 GRXTVHZNKBRUPQ-RVIJTXJMSA-N 455.895 -0.492 50 20 JBGD C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1)n1ccccc1=O 1837691137 HRAMSTYRWLFVLV-JTSKRJEESA-N 463.535 -0.761 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCC(OC2CCN(C(=O)c3cnccc3C(=O)NN)CC2)CC1 1838395325 CQSZIOVDMZNWSX-UHFFFAOYSA-N 489.577 -0.330 50 20 JBGD N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)c1 1838738302 ZXJWRDVHUATWLY-OAQYLSRUSA-N 453.459 -0.731 50 20 JBGD CN(CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cncn3C)C2)C1)NC(=O)NCc1ccccc1 1839054047 DADLLQHKMWZJCK-XMMPIXPASA-N 499.572 -0.164 50 20 JBGD CCNC(=S)NCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)CBr)C2)C1 1839652746 UNTUWVGTVZBCFK-GUYCJALGSA-N 465.414 -0.042 50 20 JBGD C[C@@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)CCS(C)(=O)=O)CCO2)C1 1840548153 OOWJAUWWVUVVKM-XJKSGUPXSA-N 455.371 -0.092 50 20 JBGD CCOC(=O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1840886169 TUKUIDAQRLPANK-NRFANRHFSA-N 456.540 -0.595 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](Cc1ccc(B(O)O)cc1)C(=O)N1CCCC12CN(C(=O)C1CC(=O)C1)C2 1843428885 WOHQYGZSCKNWPK-FQEVSTJZSA-N 499.373 -0.015 50 20 JBGD C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)NNC(=O)c3cccc(C#N)c3)CC2)C[C@@H](C)O1 728953419 PIJMNNAASVBCKP-GASCZTMLSA-N 450.521 -0.116 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc4nncn4c3)C2)C1 1778594079 GPSZOUIMVMURMB-NRFANRHFSA-N 450.459 -0.515 50 20 JBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2)c1cnn2ccncc12 1778683655 PMRXLHZADRAWFW-NFBKMPQASA-N 463.303 -0.150 50 20 JBGD CC(=O)N[C@@H](C(=O)N1CC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1)c1ccc(F)cc1 1780915270 XECCIFGMMLWWTN-ZJSXRUAMSA-N 483.305 -0.174 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)Cc3cn4c(nc3=O)SCC4)C2)C1 1780939915 MVQNWCSZLWTFHH-NRFANRHFSA-N 478.575 -0.906 50 20 JBGD O=C(C#CC1(O)CCCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1788631552 MWIJRVPSHBFCKP-JBACZVJFSA-N 454.332 -0.342 50 20 JBGD CN(CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1)C(=O)c1ccccc1 1795732775 IHQCZQFGOYLSKE-HATOLVCRSA-N 465.315 -0.658 50 20 JBGD CC[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCN(C(C)=O)CC1 1797307517 BQNQJOXNIVGNLA-DFGXFYAUSA-N 459.385 -0.086 50 20 JBGD O=C(CCN1C(=O)c2ccccc2C1=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830725597 KSSZZTYAGCLAEZ-JTSKRJEESA-N 479.917 -0.271 50 20 JBGD O=C(CCN1C(=O)c2ccccc2C1=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830725599 KSSZZTYAGCLAEZ-VGOFRKELSA-N 479.917 -0.271 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(N)=O)C2)C1 1832551452 ORBQQTGKNAYGEC-VBKZILBWSA-N 476.958 -0.160 50 20 JBGD CNC(=O)CC(=O)NC1CCN(C2CCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)CC2)CC1 1833438418 OACPIAKAEZWHHG-CVKSISIWSA-N 459.551 -0.172 50 20 JBGD COc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C(C)=N/NC(=O)c4ccc[nH]4)C3)C2)n(C)n1 1833442298 FSXLPLWUWKIMRR-VCOZGABYSA-N 487.517 -0.367 50 20 JBGD CC(C)n1nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)cc1C(=O)O 1833609682 TXWMGJRQTFVONH-JOCHJYFZSA-N 494.549 -0.395 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1)c1ccc(=O)oc1 1834341098 FWJBBNCYTNNVFT-UHFFFAOYSA-N 453.304 -0.181 50 20 JBGD CCC(=O)N[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3cccc(B(O)O)c3)CC2)CC1 1834800059 RSYZSTLTLLNTHH-MRXNPFEDSA-N 458.368 -0.534 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)c3nccc4occc34)C2)C1 1835928347 LWFZYOKDPVQHTR-HSZRJFAPSA-N 465.271 -0.109 50 20 JBGD Cc1cnn([C@H](C)C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)c1 1835934162 NNADOMCLWUQLIN-VGOFRKELSA-N 456.308 -0.797 50 20 JBGD COc1ccc(F)c(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)c1 1835934495 VXFJUYNBIACWIE-QHCPKHFHSA-N 472.278 -0.102 50 20 JBGD CCOC(CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2)OCC 1835939817 JLTSRZUJPKQHJR-JOCHJYFZSA-N 464.324 -0.774 50 20 JBGD O=C(CS[C@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1837506462 OXNYPRLXOWYTMJ-UNMCSNQZSA-N 478.376 -0.304 50 20 JBGD C[C@H](C(=O)N1CCC(OC2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1)n1cnnn1 1838789726 VPUOWDOEYCWKPC-OAHLLOKOSA-N 450.544 -0.394 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc3ncccc3[nH]1)CCO2 1839491891 GKZYCWRKZSRNIG-HSZRJFAPSA-N 464.287 -0.374 50 20 JBGD Cc1cccc2c(C(=O)N3CCO[C@@]4(COCCN(C(=O)c5cccc(B(O)O)c5)C4)C3)n[nH]c12 1839595026 UMRRZBUBLPXOCS-XMMPIXPASA-N 478.314 -0.065 50 20 JBGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccn4c(O)nnc34)C2)C1 1840152651 OXKKGLGLEWWKKI-KUHUBIRLSA-N 453.883 -0.241 50 20 JBGD CC(C)N1CCC[C@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1840583475 SEOMVVFEIANQDM-WMZHIEFXSA-N 474.562 -0.372 50 20 JBGD CCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)C2=O 729277284 YDACHXLLTFNMTR-BYKITBGFSA-N 459.569 -0.012 50 20 JBGD CC(=NNC(=O)[C@H]1CCS(=O)(=O)C1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 729816212 HVTLHXQAVDHJOM-ZDUSSCGKSA-N 451.548 -0.313 50 20 JBGD CCn1c(=O)c2ccccc2n(CC(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c1=O 756519884 KDZFYUWIXSQYTA-SFHVURJKSA-N 482.449 -0.286 50 20 JBGD O=C(CS(=O)(=O)Cc1ccc(Br)cc1)NNC(=O)[C@@H]1CCS(=O)(=O)C1 915832302 QDPMQBHOMUMQOO-LLVKDONJSA-N 453.336 -0.054 50 20 JBGD C[C@@H](Cn1cncn1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2 1779498380 QUGRAJPRPUOBRJ-DKZVUGQWSA-N 455.324 -0.578 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc4c(=O)[nH]c5ccccc5n4n3)C[C@@H]21)[C@@H](O)CCl 1784093279 SXRAWCBMZYMUAE-APYUEPQZSA-N 474.905 -0.236 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](N)CCC(N)=O)C2 1798522080 BDWMKDCFJIFEAS-AODNKKSCSA-N 477.474 -0.684 50 20 JBGD CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](O)CCl)C3)C1 1799197243 WNWQBBSRETZADW-GTDBDLECSA-N 461.943 -0.597 50 20 JBGD Cc1cn(CC(=O)N2CC[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)c(=O)nc1O 1807363542 ABJSWZSADXBFCS-GHTZIAJQSA-N 491.313 -0.648 50 20 JBGD O=C(COc1ccc(O)nn1)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1812351009 KVUGKRFGPZISFO-VGOFRKELSA-N 477.286 -0.344 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(=O)n3[nH]nnc3n2)n[nH]1 1817816411 APWXSIAJCJWFQK-CYBMUJFWSA-N 471.482 -0.785 50 20 JBGD COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)cc1O 1830245096 LTMPQQODHPRFTM-DEOSSOPVSA-N 484.314 -0.607 50 20 JBGD CCS(=O)(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](Cl)COC)C2)C1 1831330638 WBJXLPHODKELCU-JKIFEVAISA-N 455.961 -0.976 50 20 JBGD O=C(c1cnn(-c2cccnc2)c1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835927694 XIPNJTJYIOWPCU-DEOSSOPVSA-N 491.313 -0.669 50 20 JBGD CN(C)c1cccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)c1 1835931618 TYTDYGVZIMHMPX-DEOSSOPVSA-N 467.331 -0.184 50 20 JBGD O=C(Cc1cc(F)cc(F)c1)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1836120390 RYZJSEDIAPSXOW-HSZRJFAPSA-N 474.269 -0.043 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccn3cncc3c1)CCO2 1837077165 GKYBRIPQINDXQQ-HSZRJFAPSA-N 464.287 -0.602 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccn(C(F)F)n3)C2)C1 1837458874 FWPMMKVPXQPZJK-FQEVSTJZSA-N 479.444 -0.340 50 20 JBGD CCc1noc(C)c1C(=O)N1CCOC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837459185 LUVOZYPAHVUHJV-QFIPXVFZSA-N 472.502 -0.072 50 20 JBGD COc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)cc1OC 1838931158 LLCFLRIUWJOVDU-XMMPIXPASA-N 484.314 -0.233 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1CCC3(CC1)OCCO3)CCO2 1839774636 KAUSNMJGJKTCMO-JOCHJYFZSA-N 482.578 -0.251 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3ON=C(c4ccccc4)O3)C2)C1 1840184448 NBOUUWVVZJKWOZ-XZOQPEGZSA-N 489.529 -0.450 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(CN(C(=O)/C=C/c3cnc[nH]3)CCO2)C1 1840343343 RLRLFFSNQLYCIB-WODVNSBQSA-N 455.475 -0.808 50 20 JBGD CC(C)(C)OC(=O)NCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1840801545 DIYPQQCUFZZNHT-HSZRJFAPSA-N 491.350 -0.649 50 20 JBGD O=C(NNc1ccc(S(=O)(=O)NC2CC2)cc1)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 728210067 QAVJPHDAHFGANF-SWLSCSKDSA-N 456.546 -0.394 50 20 JBGD O=C(CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 912638337 AKTTVNFYDCIQJM-LSOMNZGLSA-N 488.522 -0.724 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1779032790 YLIOBBLCAWQLGL-ZMTYOYNLSA-N 460.491 -0.342 50 20 JBGD COC(=O)[C@H]1CC[C@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cnccc4C(=O)NN)C[C@@H]32)C1 1784080487 OFFUCJABVDFVTR-FLKCQLHMSA-N 473.530 -0.132 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc4ncnn4c3)C[C@@H]21 1788609925 DOKVZOIJBOFPEJ-SNRMKQJTSA-N 478.513 -0.436 50 20 JBGD C[C@@H](NC(=O)c1ccc(F)cc1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1789694101 CUXJMLQZTKTPAN-VPPRVIDZSA-N 497.332 -0.083 50 20 JBGD Cn1ncc(Br)c1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1796748508 GBWNFLPSMVSINR-QHBPRCKVSA-N 492.334 -0.302 50 20 JBGD CN1CCN(C2(C(=O)N3CC[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3c3cccnc3)CC2)CC1 1807373194 OUVLKYFFOWKIHM-JTHBVZDNSA-N 491.401 -0.139 50 20 JBGD CC(=O)N[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1812650509 OMLXPMQQXWGCRY-VVFCZOMOSA-N 453.503 -0.076 50 20 JBGD C=CCCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)c(O)n1 1833699272 XMCVGXCMONURNL-RUZDIDTESA-N 495.341 -0.031 50 20 JBGD Cn1cc(C(=O)N2CCC(N3CCC(NC(=O)c4cnccc4C(=O)NN)CC3)CC2)cn1 1835737149 PDZVSAQYJSNBNQ-UHFFFAOYSA-N 454.535 -0.082 50 20 JBGD O=C(CCOc1ccccc1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835929400 NYWFCXUHKSGELU-XMMPIXPASA-N 468.315 -0.095 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)c3cc(=O)c4ccccc4o3)C2)C1 1835934092 MZZNWDXOKNYOHB-VWLOTQADSA-N 492.293 -0.143 50 20 JBGD CC(C)Cc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)n(C)n1 1835936008 ZWVSQBZJPPVEAZ-XMMPIXPASA-N 484.362 -0.318 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)c1ccn(C(F)F)n1)CCO2 1838032993 AXURKWHHGODQNY-FQEVSTJZSA-N 464.234 -0.658 50 20 JBGD N#C/C(=C\c1ccc(F)cc1F)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=N)N)C2)C1 1839743398 NUGAPCDEKPDVFN-JMDQKNPTSA-N 462.457 -0.189 50 20 JBGD C[C@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnccc2C(=O)NN)C1)N1CCN(C)CC1 1779374124 AZGHXAKVZSXEFB-WSCWJOSJSA-N 487.605 -0.552 50 20 JBGD C[C@@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cnccc1C(=O)NN)C2)N1CCN(C)CC1 1780639288 ZKHWQALYJFJSHM-WPSZSDGUSA-N 487.605 -0.552 50 20 JBGD C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1)[C@H]1SC(=N)NC1=O 1788610186 IJURIDRHCUQXLJ-RLYLYKIYSA-N 489.558 -0.919 50 20 JBGD CC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 1793980354 UNHWZUYFCLXHNU-QVHKTLOISA-N 466.926 -0.959 50 20 JBGD COc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)c([N+](=O)[O-])cc1O 1795734978 DMMNCDQAKDSGRN-VTEUUUEMSA-N 485.258 -0.494 50 20 JBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CC(c2ccccc2)=NN1 1800158405 QYWJDHHZJIMKOH-ZRAXVTTISA-N 456.547 -0.285 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1CCN(C(=O)[C@H](O)N2CCOCC2)[C@@H]1c1cccnc1 1808417964 UOMHZEOKCSOQHE-POWTZLDFSA-N 497.556 -0.128 50 20 JBGD CCS(=O)(=O)N[C@@H](C)C(=O)N1CCC2(CCCN(C(=O)c3ccc(B(O)O)cc3)C2)CC1 1809969010 LLFVYYVCIIKIQG-INIZCTEOSA-N 465.381 -0.461 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)c1ccco1)CCO2 1829821248 DPYXWOLLMRMLNQ-JHBFSYOZSA-N 473.486 -0.097 50 20 JBGD COc1ccc([C@H](O)C(=O)N2CCO[C@@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)cc1 1830221433 NZGKOVSIEYKKLD-JTHBVZDNSA-N 478.546 -0.442 50 20 JBGD CCS(=O)(=O)N[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1 1831324310 RWOULNASSCNVTL-YJBOKZPZSA-N 465.645 -0.378 50 20 JBGD N#C/C(=C\c1ccc(F)cc1F)C(=O)N1CCOC[C@]2(CN(C(=O)CC[C@@H](N)C(N)=O)CCO2)C1 1835748346 SQYBSUIPHWDXGJ-ORGVGYNBSA-N 491.495 -0.079 50 20 JBGD C[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835932224 UWEKRLJFUVAAHE-ACJLOTCBSA-N 455.114 -0.780 50 20 JBGD NC(=O)c1ncccc1C(=O)N1CCC(OC2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1837251811 QSZNJVLXSGRTOA-UHFFFAOYSA-N 480.330 -0.214 50 20 JBGD Cc1cc(C(=O)NCC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)Br)C3)C2)no1 1837550125 PAVZLJRPHGCEHC-SCLBCKFNSA-N 473.324 -0.047 50 20 JBGD CCOC(=O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1840885002 GQJOXGOPGWDQGL-JOCHJYFZSA-N 477.518 -0.656 50 20 JBGD CN(CC(=O)N1CCCC12CN(C(=O)c1cc3n(n1)CCNC3=O)C2)NC(=O)NCc1ccccc1 1845038472 GOZYZRKVOXSASV-UHFFFAOYSA-N 494.556 -0.210 50 20 JBGD COc1ccc(S(=O)(=O)NCC(=O)OCC(=O)NNC(=O)c2ccccc2)cc1OC 19467967 VMCYFIAJJNJAMI-UHFFFAOYSA-N 451.457 -0.014 50 20 JBGD C[C@H](NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)[C@H](C)N1CCOCC1 729623386 KSPQGDYYUPHQCJ-HOTGVXAUSA-N 469.564 -0.239 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1CCNC1=N)C2 1778091111 GIIMGEKVGJCCAQ-WPXOGLPSSA-N 472.550 -0.526 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@]2(CCN(C(=O)c3cnncc3C(=O)O)C2)C1 1779524053 IKMJYDXDTBPJHR-LHXREVONSA-N 469.458 -0.248 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)c3nc4ccc(F)cn4n3)C2)C1 1782568238 QXHUATPNXGDKQZ-NRFANRHFSA-N 453.239 -0.695 50 20 JBGD CC(C)(C)OC(=O)N(CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)C1CC1 1792637084 XLJYZWLMNIBLFG-UPHUGPLXSA-N 487.362 -0.031 50 20 JBGD CCOC(=O)c1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)ccn1 1798686670 VGWJDHWINDKXDS-CCWDJLKJSA-N 482.497 -0.226 50 20 JBGD N#C/C(=C\c1ccc(F)cc1F)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(=O)n3[nH]nnc3n1)C2 1800332959 GZSXKCPDJWJCNZ-RMRMTIIFSA-N 496.434 -0.099 50 20 JBGD C[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)NC(=O)c1cnccn1)C2 1800758981 BLQZYADVAHBDGS-BAYHKCFCSA-N 454.325 -0.032 50 20 JBGD O=C(NC[C@H]1CCN(C(=O)c2nc3ncccn3n2)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807361799 JKQZHYCKPPRXJH-MJGOQNOKSA-N 471.286 -0.168 50 20 JBGD CC(=O)N(C)[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807373874 CXXKFKCRVXKVEN-VMRPVKRXSA-N 452.320 -0.052 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)c2cc(O)nc(O)n2)[C@H]1c1cccnc1 1808303963 NAPKKKSOMUFHQS-IFXJQAMLSA-N 457.491 -0.025 50 20 JBGD O=C(Cn1cccc([N+](=O)[O-])c1=O)N[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815348852 ZEMRSMBPIVKMBQ-CQSZACIVSA-N 497.298 -0.181 50 20 JBGD O=C(CCN1CCOC1=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cccc(B(O)O)c1)CC2 1818691134 GUBQJHMFYGVJTF-CQSZACIVSA-N 458.305 -0.109 50 20 JBGD C[C@@H](C(=O)N[C@H]1CCc2nc(NC(=O)c3cnccc3C(=O)NN)sc2C1)n1cnnn1 1819801354 JECXDLYRJHERII-UWVGGRQHSA-N 456.492 -0.385 50 20 JBGD O=C(CCc1ccc2c(c1)OCO2)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835929366 MKMOINQKGDFXJN-VWLOTQADSA-N 496.325 -0.202 50 20 JBGD O=C(CCCc1cccnc1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835940031 UEBWRAJGKKNKIK-XMMPIXPASA-N 467.331 -0.146 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(CN(C(=O)c3ccn4ccnc4c3)CCO2)C1 1836986560 XGOONNXJBMTOGS-QHCPKHFHSA-N 479.497 -0.283 50 20 JBGD Cc1nc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)cs1 1837456526 JVVSGFCWFQWPOV-FQEVSTJZSA-N 460.516 -0.166 50 20 JBGD CN(C)c1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)c1 1838924277 LIVWHORRZDGUFL-XMMPIXPASA-N 467.331 -0.184 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@]1(C)CCCN1)CCO2 1839121438 IKZHPXZXBZNZCC-UUYGQHCCSA-N 460.535 -0.281 50 20 JBGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)NC(=O)c1ccccn1)CCO2 1839667267 GTOVNWSMMAOWAT-CKJXQJPGSA-N 468.938 -0.090 50 20 JBGD COc1ccc(CC(=O)N2CCOC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)c(C#N)c1 1840185698 VJHOJNQOKZOIAY-DEOSSOPVSA-N 487.557 -0.061 50 20 JBGD C[C@H](Cn1ccnc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1840431544 KMSWKRWGVLNQOI-ZHRRBRCNSA-N 471.518 -0.712 50 20 JBGD O=C(CCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)NNC(=O)[C@H]1CCS(=O)(=O)C1 10214266 BUXNSJLTSVGVIL-JTQLQIEISA-N 473.451 -0.164 50 20 JBGD O=C(Cn1[nH]cc2c(=O)ncnc1-2)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 730514997 NXRFGDXXCDSIGK-UHFFFAOYSA-N 459.488 -0.293 50 20 JBGD CC(C)n1nc(C(=O)NNC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)c2ccccc2c1=O 914829748 QMSQGXRQSDSMSI-KGLIPLIRSA-N 475.527 -0.226 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)c3ccc4c(c3)n(C)c(=O)n4C)C2)C1 1777867556 HITJSRWIAPWSAK-HSZRJFAPSA-N 472.546 -0.307 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)nc(O)n1)C2 1779373148 GYLVJCOZTRTKNB-QVKFZJNVSA-N 471.474 -0.672 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CC[C@@H]4CCC(=O)N4C3)[C@H]2C1 1789772461 TYZXRXXTFDNBGQ-LFDJNIOPSA-N 463.579 -0.260 50 20 JBGD CC(C)(C)OC(=O)N1CC2(CC(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)[C@H](O)CCl)=NO2)C1 1792984416 ZXHYAFWRRCLOJD-OCVGTWLNSA-N 486.953 -0.059 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C(=O)Nc2ccccc2)CC1 1793401973 QDOJDWBKBIFTRX-RMFSNUHRSA-N 477.326 -0.012 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCNC1=N 1795579023 RFOVPCCIACRACY-FQLMCAECSA-N 472.974 -0.452 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCc3ccccc3[C@H]1O)C2)c1cccc(B(O)O)c1 1795737651 GFPDPVCUKFUVQK-HYEPPUOFSA-N 464.327 -0.134 50 20 JBGD CN(CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cncn1)NC(=O)NCc1ccccc1 1795851998 ARIVCRFIFMIABM-RMFSNUHRSA-N 470.534 -0.786 50 20 JBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(Cl)c1)C2 1797749761 PLRUNGBBYNNKRY-DPIQGUFMSA-N 460.878 -0.044 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1nnc(-c2ccccc2)o1 1797820384 ZGIIPFBXYZQFIW-IZZQQSIFSA-N 462.271 -0.067 50 20 JBGD CC[C@H](NC(C)=O)C(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1802543826 GJRHQUNOUBMSAM-JBACZVJFSA-N 452.320 -0.004 50 20 JBGD O=C(CN1CCOC1=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1803335724 XQJOCJLKSINDIL-XLIONFOSSA-N 452.276 -0.467 50 20 JBGD O=C(Cn1ccncc1=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1821655773 DTNPNTBAKLZZMT-KRWDZBQOSA-N 450.264 -0.348 50 20 JBGD CS(=O)(=O)c1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)cc1 1830723461 NZROLWDZHALGHB-YLJYHZDGSA-N 474.963 -0.311 50 20 JBGD O=C1CSc2ncc(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)[C@@H](O)CCl)CCO4)cc2N1 1830735836 OEORRZIZHQGVKV-IFXJQAMLSA-N 470.935 -0.205 50 20 JBGD CC(C)(C)OC(=O)N1CCO[C@H](C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)C1 1830881511 YIFRUSZYULAGIV-XFQAVAEZSA-N 491.969 -0.322 50 20 JBGD CCS(=O)(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1831330268 QKTQRHJGGGEHJH-TYNCELHUSA-N 474.349 -0.539 50 20 JBGD O=C(CCCc1ccncc1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835927416 OISXAXJXCIHTTE-XMMPIXPASA-N 467.331 -0.146 50 20 JBGD C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1)c1ccccn1 1835934506 WDYWTHMKRMDIBO-GAJHUEQPSA-N 453.304 -0.365 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccn3cncc13)CCO2 1837113595 KCGAPPILIWWFQJ-JOCHJYFZSA-N 458.519 -0.223 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cncnc3)C2)C1 1837457879 UORZAQCDGIHFDZ-QFIPXVFZSA-N 469.502 -0.822 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837531881 ZCIGFRLDHMYBPH-VCGLIYPTSA-N 490.517 -0.716 50 20 JBGD CC[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1839966958 VCBVHILDGILSPY-KDOFPFPSSA-N 463.373 -0.011 50 20 JBGD CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)N2CCCC23CN(C(=O)c2cnccc2C(=O)NN)C3)C1 1846411461 BLVMFENCDJZRKX-QHCPKHFHSA-N 488.545 -0.126 50 20 JBGD CC(=O)Nc1ccc(S(=O)(=O)N2CCC(=NNC(=O)[C@@H](C)NS(C)(=O)=O)CC2)cc1 728435290 XFALDEFUEBBVOT-GFCCVEGCSA-N 459.550 -0.161 50 20 JBGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)NCCC(=O)N1CCOCC1 916251475 UTCDRPWZGZVGJH-UHFFFAOYSA-N 497.574 -0.781 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccnc4c3OCO4)C2)C1 1780030636 WFJDQINNDWLMEB-OAQYLSRUSA-N 454.443 -0.434 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@]2(CN(C(=O)CN3C(=O)CNC3=O)CCO2)C1 1780094959 AUHNDTXOBBIAJI-OAQYLSRUSA-N 489.441 -0.485 50 20 JBGD CCS(=O)(=O)N[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](F)Br)C[C@@H]21 1784445327 IAMFYRRIQUURNA-QNWJLWSRSA-N 458.350 -0.016 50 20 JBGD Cn1c(=O)c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)nc2ccccc21 1787975291 XHRISGLDFXMPAY-MDKPJZGXSA-N 490.325 -0.480 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](N)c1ccccn1 1795610576 KZRGRUKAMBITSK-KZBKYCETSA-N 453.503 -0.195 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(N3CCOCC3)cc1)C2)c1ccc(B(O)O)cc1 1795734171 HSQAQJHOSMUNLF-JHDGKUDLSA-N 479.342 -0.280 50 20 JBGD CC(C)CNC(=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN(C)NC(=O)NCc1ccccc1)C2 1796466101 PPLXBUFVSWNSST-CEQLMSFQSA-N 488.589 -0.306 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCC2(CCCN(C(=O)CCN3C(=O)C=CC3=O)C2)CC1 1806385101 SQZCWEZCURLFMT-UHFFFAOYSA-N 468.514 -0.155 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@H](CNC(=O)COc2ccc(O)nn2)[C@H]1c1cccnc1 1812351908 OZBOXSFDVKODIL-YCRPNKLZSA-N 492.496 -0.026 50 20 JBGD O=C(CN1C(=O)C=CC1=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1813172003 HXLZHMJRKMQYFI-VGSWGCGISA-N 462.271 -0.994 50 20 JBGD O=C(CN1C(=O)CSC1=S)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1814185451 BWDJYEOPCUXCHC-JXFKEZNVSA-N 498.395 -0.059 50 20 JBGD CC(=O)N1CCN(CC(=O)N[C@H]2CCc3nc(NC(=O)c4cccc(B(O)O)c4)sc3C2)CC1 1815356832 SXPLHVJDQOVHBZ-KRWDZBQOSA-N 485.375 -0.787 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H](O)N2CCOCC2)n[nH]1 1819448769 DKXZEDBLYOUUAO-YWZLYKJASA-N 451.528 -0.575 50 20 JBGD CN1CCN(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1828442445 ZBEODFSCIKDNIN-QFIPXVFZSA-N 456.396 -0.153 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc([N+](=O)[O-])o1)CCO2 1829485088 XFVISXHIPXPZHN-FQEVSTJZSA-N 459.220 -0.749 50 20 JBGD Cc1nn2cc(CC(=O)N3CCO[C@@]4(COCCN(C(=O)[C@H](O)CCl)C4)C3)nc2s1 1832101001 JGGAMYJYUIFITO-KDOFPFPSSA-N 457.940 -0.302 50 20 JBGD N[C@@H](C(=O)N1CCC(N2CCC(NC(=O)c3cccc(B(O)O)c3)CC2)CC1)c1ccccn1 1834801161 RZEGDUMEDPKLDY-JOCHJYFZSA-N 465.363 -0.353 50 20 JBGD C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1)N1CSCSC1 1835930421 ILHASKSIADRLGT-IIBYNOLFSA-N 495.432 -0.521 50 20 JBGD COc1ccc([C@H](O)C(=O)N2CCOC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)cc1 1835933709 ANLMYBYYSOYFKN-URXFXBBRSA-N 484.314 -0.821 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(CN(C(=O)c3cc4cn[nH]c4cn3)CCO2)C1 1837195853 AZRYBZJQUBQVLS-JOCHJYFZSA-N 480.485 -0.660 50 20 JBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1840153664 XDNOZGKPHNUVHP-KXBFYZLASA-N 455.899 -0.991 50 20 JBGD CCOC(CC(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1)OCC 1840185592 SNQXTWRWVBOLKT-OAQYLSRUSA-N 458.556 -0.395 50 20 JBGD CC(C)(C)OC(=O)N1CC[C@H](C(=O)N2CC3(CCCN3C(=O)c3ccc(B(O)O)cc3)C2)[C@@H](O)C1 1843009743 DNBSVBXTGKHGQQ-OALUTQOASA-N 487.362 -0.199 50 20 JBGD CNS(=O)(=O)c1cccc(S(=O)(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)c1 747410055 OGQMSVNFXZSTEZ-UHFFFAOYSA-N 490.585 -0.467 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(CCN(C(=O)c3cn4cccnc4n3)C2)C1 1778475010 HNVZTRLDKDPEGS-OAQYLSRUSA-N 450.459 -0.515 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(C1)CN(C(=O)c1cnn3c1OCCC3)CCO2 1779036684 CPTVVGRBTXICLV-OAQYLSRUSA-N 455.475 -0.579 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCc1ccc(O)nn1)C2 1779374507 MEGFQMQXNYYNSN-WZONZLPQSA-N 483.529 -0.059 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)c3nc4cc([N+](=O)[O-])ccc4[nH]3)C2)C1 1782182408 RKBMOEYODHLQFD-JOCHJYFZSA-N 479.258 -0.092 50 20 JBGD O=C1CSc2ncc(C(=O)N3CC[C@@]4(CN(C(=O)c5cccc(B(O)O)c5)CCO4)C3)cc2N1 1782423949 ASUZOQLROTXVTQ-QFIPXVFZSA-N 482.327 -0.437 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1ccnc2c1OCO2 1789178740 KHSBTLGJLQUUCD-WBAXXEDZSA-N 453.260 -0.603 50 20 JBGD CC(=O)N1CCN(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](C)Br)[C@H]3C2)CC1 1791056122 OGNKVSCKJCJADM-HJWJTTGWSA-N 459.385 -0.086 50 20 JBGD CN1CCN(c2ccc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)c3ccc(B(O)O)cc3)C4)cc2)CC1 1792456998 RLIMYVKYLGGDBU-RUMRUAAYSA-N 492.385 -0.365 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CS(C)(=O)=O 1795361165 QPSUZXGRUJTLNQ-IVWMJMPLSA-N 469.472 -0.232 50 20 JBGD C[C@H](NC(=O)c1ccccc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795741197 OUJLAYHYMQPBKE-RMYQPGKMSA-N 465.315 -0.612 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(=O)n2[nH]cnc2n1 1796182512 HHBFJUDGXUFWHJ-BTSNSQKGSA-N 465.474 -0.197 50 20 JBGD NC(=O)c1ncccc1C(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1804808472 VRRPUGQITPLJAG-LAUBAEHRSA-N 473.298 -0.111 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@H](CNC(=O)c2nccnc2C(N)=O)[C@H]1c1cccnc1 1811187487 OWGWAVKBRGYWBU-IFXJQAMLSA-N 489.496 -0.398 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)c2nccnc2C(N)=O)[C@@H]1c1cccnc1 1813073163 JOGSVPDMABLCRK-FOIQADDNSA-N 468.518 -0.337 50 20 JBGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1nccnc1C(N)=O)CC2 1826088447 XZSCDAYQNCJNAG-SNVBAGLBSA-N 460.520 -0.369 50 20 JBGD C[Si](C)(C)OCC(=O)N1CCOC[C@]2(CN(C(=O)CCN3C(=O)C=CC3=O)CCO2)C1 1832022692 IQPLUGSGZKDJKP-FQEVSTJZSA-N 453.568 -0.391 50 20 JBGD C[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)CCN3C(=O)C=CC3=O)CCO2)C1 1832025083 RQHUKOSCGSRBHQ-UGSOOPFHSA-N 458.309 -0.459 50 20 JBGD COc1cc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)ccn1 1832595789 HZJTZQOHTCAHIC-XMMPIXPASA-N 498.540 -0.209 50 20 JBGD COc1ncccc1CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1833001039 XXCMSJUYCVMMJQ-XMMPIXPASA-N 483.330 -0.527 50 20 JBGD COc1ccc2[nH]cc(C(=O)N3CCOC[C@@]4(CN(C(=O)c5ccc(B(O)O)cc5)CCO4)C3)c2n1 1835931352 NRSLZRKLQYJOPI-XMMPIXPASA-N 494.313 -0.365 50 20 JBGD COc1cc(C(=O)NC2CCN(C3CCN(C(=O)CCC(=O)NN(C)C)CC3)CC2)nn1C 1836205001 WQXJLJXVQJMSGR-UHFFFAOYSA-N 463.583 -0.013 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccn4ccnc4c3)CCO2)C1 1836986558 XGOONNXJBMTOGS-HSZRJFAPSA-N 479.497 -0.283 50 20 JBGD CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837457510 HFXFNFGBBQMTKI-JOCHJYFZSA-N 473.534 -0.963 50 20 JBGD CCOC(=O)c1ncn2c1CC[C@H](C(=O)N1CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C1)C2 1839739261 WMJGLYFXJYGECT-GIMINZRKSA-N 498.964 -0.322 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(-n4cnnc4)cc3)C2)C1 1840184222 XFMBGXISIGPCCR-HSZRJFAPSA-N 485.545 -0.290 50 20 JBGD Cn1c(=O)c2c(ncn2CC(=O)N2CC3(CCCN3C(=O)CO[Si](C)(C)C)C2)n(C)c1=O 1844377471 GWVOGTNQALKLGE-UHFFFAOYSA-N 462.583 -0.511 50 20 JBGD CN(CC(=O)N1CC2(CCCN2C(=O)Cn2ccncc2=O)C1)NC(=O)NCc1ccccc1 1845767899 PSZHSWXTDAGPDW-UHFFFAOYSA-N 467.530 -0.207 50 20 JBGD O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 746387269 JHEOUDFZJMSYHH-HXUWFJFHSA-N 472.590 -0.473 50 20 JBGD COc1cc(C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)ccc1OCC(N)=O 791885521 QMBADKZFRIDFHW-QGZVFWFLSA-N 459.411 -0.297 50 20 JBGD CC(C)n1nc(C(=O)NNC(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)c2ccccc2c1=O 914829749 QMSQGXRQSDSMSI-UONOGXRCSA-N 475.527 -0.226 50 20 JBGD Cc1cc(C(N)=O)cc(C)c1C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1779007516 SFYBQCOPFDZSJR-DEOSSOPVSA-N 465.315 -0.161 50 20 JBGD C[C@@H](NC(=O)c1ccccc1)C(=O)N1CC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1785555962 FXHSOOKDVJFDMU-MZNJEOGPSA-N 465.315 -0.372 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3C(=O)C=CC3=O)[C@H]2C1 1791392995 HSEAHNPITHXXDI-RPIBGLMYSA-N 470.486 -0.975 50 20 JBGD NC(=O)c1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)cc1 1791892876 IXXOYKXEUCFYHO-IHPCNDPISA-N 451.288 -0.628 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1COc2ccccc2O1 1793840578 ONBQALAMTWEOHF-ILWKUFEGSA-N 467.482 -0.272 50 20 JBGD C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1)[S@@](=O)c1ccccc1 1795736960 RZAGSZAGDQJBAZ-QXXVSFSESA-N 470.356 -0.234 50 20 JBGD N#Cc1cc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)ccc1F 1795739736 HTVRAXAXQBWWTB-OPMZPASUSA-N 451.263 -0.177 50 20 JBGD C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)N1CSCSC1 1797842748 YADVOHAPUQMWIM-NYCLONFESA-N 465.406 -0.387 50 20 JBGD CN(CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCSC(=N)N)C2)NC(=O)NCc1ccccc1 1799094657 CJSPQUSFXCOGLO-XEMDLRDOSA-N 491.618 -0.061 50 20 JBGD CN(CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=O)N(C)C)C2)NC(=O)NCc1ccccc1 1799095351 OLIHLGHKSJUPJL-RMFSNUHRSA-N 489.577 -0.807 50 20 JBGD CC(C)(C)OC(=O)NCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1801954668 VVUXBGHTBNRANK-HGKCTWBKSA-N 461.324 -0.516 50 20 JBGD Cc1cc(C(=O)NCC(=O)NC[C@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)no1 1810375115 FYWYFIKTNUXVDP-XMSQKQJNSA-N 491.313 -0.193 50 20 JBGD O=C1CC(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCN3C(=O)OCc2ccccc2)=NN1 1828551115 JAXVOBFXFQKZCZ-VGSWGCGISA-N 491.932 -0.086 50 20 JBGD COc1cnc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)c(F)c1 1833631441 RXKIOBUSPZUXFT-QFIPXVFZSA-N 473.266 -0.707 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)CS(C)(=O)=O)CCO2)C1 1835251756 ZJQBATUGKXKKIY-IFXJQAMLSA-N 497.998 -0.381 50 20 JBGD C=CC(=O)N[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1835829531 OOLKFOLUHIZJPC-INIZCTEOSA-N 456.352 -0.758 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)c3ccc(O)cc3F)C2)C1 1835931756 BWBOLVKBWFVNIY-JOCHJYFZSA-N 458.251 -0.405 50 20 JBGD CC(C)(C)c1cc(C(=O)N2CCOC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)[nH]n1 1835938495 WKNWEUYODKJAQF-QHCPKHFHSA-N 470.335 -0.229 50 20 JBGD O=C1NCCn2nc(C(=O)N3CCC(OC4CCN(C(=O)[C@@H](O)CCl)CC4)CC3)cc21 1836716764 PBIXQKKKMCKKET-KRWDZBQOSA-N 453.927 -0.162 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc3cncn3c1)CCO2 1837121751 YVUGSIXPVNPAPM-HSZRJFAPSA-N 464.287 -0.602 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)NC=O)CCO2 1839163654 JZHRSKFUYVVBJL-SPLOXXLWSA-N 478.458 -0.275 50 20 JBGD C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](F)Br)CCO2)C1)N1CCN(C)CC1 1839202112 VBUCOLIDMPQSIN-RVKKMQEKSA-N 465.364 -0.231 50 20 JBGD Cc1cn(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](F)Br)CCO3)c(=O)nc1O 1839203331 IMYJVCIDJSTECP-CXAGYDPISA-N 477.287 -0.596 50 20 JBGD COc1ccccc1CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1839953879 MEMILYCZIIOBAD-XMMPIXPASA-N 468.315 -0.312 50 20 JBGD CC[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)C[C@H](NC)C(=O)O)C2)C1 1839963354 IINQFOBDSIWVRC-DCGLDWPTSA-N 450.330 -0.321 50 20 JBGD CNC(=S)NCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)Br)CCO2 1840033988 WMYGUGBCSAZGQZ-LRDDRELGSA-N 451.387 -0.290 50 20 JBGD O=C(NNC(=O)c1cnn[nH]1)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1 729455620 OLCRMFROIBNTBO-UHFFFAOYSA-N 459.282 -0.337 50 20 JBGD O=C(CN1CCCC1=O)NNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 789856856 KQWWTNHGNUPGJS-UHFFFAOYSA-N 466.516 -0.372 50 20 JBGD O=C(NCCS(=O)(=O)N1CCN(c2ccccn2)CC1)NNc1ccc(-n2cccn2)nn1 916517262 ZPIGRWYQWHKETP-UHFFFAOYSA-N 472.535 -0.165 50 20 JBGD CCS(=O)(=O)N(C)CCCNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 916580040 BPFAMAHBRZIMRY-UHFFFAOYSA-N 491.592 -0.677 50 20 JBGD O=C(CS(=O)(=O)Cc1ccc(Br)cc1)NNC(=O)N[C@H]1CCS(=O)(=O)C1 919887011 XGIZZYSZMDDTNQ-LBPRGKRZSA-N 468.351 -0.119 50 20 JBGD CC[S@](=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2 1779220947 FPFMGTJXXQZYBL-CYWNGJLWSA-N 450.366 -0.347 50 20 JBGD CCC(=O)N[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnccc2C(=O)NN)C1 1779371376 UOYCEUGVVFOSPC-WTBBCNCBSA-N 460.535 -0.273 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@]2(CN(C(=O)C[C@@H]3NC(=O)NC3=O)CCO2)C1 1780095049 CKQLJRYADJHCPE-YCRPNKLZSA-N 489.441 -0.438 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](O)NC(=O)OC(C)(C)C)C2)C1 1781858271 SMFNOKKZTQHSJZ-VLXMVTKESA-N 492.533 -0.207 50 20 JBGD CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]3C2)C1 1784093443 YZSMSYJQVZAQND-WBAHDQRJSA-N 475.970 -0.206 50 20 JBGD CCOC(=O)c1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)ccn1 1786980996 JJUFNNCIRVMSBA-CUWPLCDZSA-N 481.314 -0.155 50 20 JBGD C[C@H](Nc1nccs1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786983372 QACVSJKJFFTJAM-IKICRFKJSA-N 458.349 -0.083 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCc4nc[nH]c4C3)C[C@@H]21)c1ccc(B(O)O)cc1 1786983691 QWKPVHKWLCACAZ-JQZBISMTSA-N 452.320 -0.512 50 20 JBGD CC(=O)O[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21)C(C)C 1788478172 ICZPTIKMNGHJHD-UDTPNQRGSA-N 461.519 -0.134 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(F)(F)C(F)(F)C(=O)O)C[C@@H]21 1791287903 BLEDJNWOJNYRNO-SRVKXCTJSA-N 470.420 -0.306 50 20 JBGD CC(=O)N1CCN(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](C)CBr)CC1 1792870556 GICZQIDJRXIHIW-NYCLONFESA-N 459.385 -0.229 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1CCN(Cc3ccccn3)CC1)C2)c1ccc(B(O)O)cc1 1795732510 NYGBEUFXSIULDR-RUMRUAAYSA-N 492.385 -0.123 50 20 JBGD COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)n1 1795734198 JAPZHEPMHQGEJK-ZSBFGKGUSA-N 470.247 -0.805 50 20 JBGD O=C(NC[C@@H]1CCN(C(=O)CCN2CCOC2=O)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807363478 OTIDTJKCYVBJFX-RXVVDRJESA-N 466.303 -0.077 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@H](CNC(=O)Cn2cnnn2)[C@@H]1c1cccnc1 1807611079 JOJAXXNPRHAJGB-KSSFIOAISA-N 450.463 -0.914 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@H]1CCN(C(=O)[C@@H]2C[C@H](O)CN2)[C@H]1c1cccnc1 1808416157 FZXCXWFEDPPVOK-SMRZIQSBSA-N 467.530 -0.056 50 20 JBGD CC(=O)OC[C@H](OC(C)=O)C(=O)N[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815344007 BGBKVXNLLQNWAF-WBVHZDCISA-N 489.315 -0.457 50 20 JBGD CN(C)NC(=O)CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2nccnc2C(N)=O)[nH]n1 1822415148 UQEXAUDZKYUGIP-ZDUSSCGKSA-N 457.495 -0.023 50 20 JBGD COC[C@@H](NC(C)=O)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827052296 SUMVBUFWJCCZMZ-RTWAWAEBSA-N 459.352 -0.249 50 20 JBGD CCS(=O)(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](Cl)COC)C2)C1 1831330321 WBJXLPHODKELCU-CKEIUWERSA-N 455.961 -0.976 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@H](O)CN3)C2)C1 1832551156 FFKKZZKMPAOATN-OSAWLIQMSA-N 490.985 -0.702 50 20 JBGD C[C@@H](CC(N)=O)C(=O)NC1CCN(C2CCN(C(=O)c3cnccc3C(=O)NN)CC2)CC1 1833520647 CICVSMFRRDYYQR-AWEZNQCLSA-N 459.551 -0.618 50 20 JBGD COc1nccnc1C(=O)NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1833969720 NHBWATVFOBJRSJ-UHFFFAOYSA-N 467.335 -0.336 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC1CCN(C2CCN(C(=O)[C@H]3CCNC(=O)C3)CC2)CC1 1835738273 RCTCZJKPSBCUNC-HNNXBMFYSA-N 471.562 -0.604 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)c3cc4ccoc4cn3)C2)C1 1835931745 ALBAHKZPPWGDAC-QHCPKHFHSA-N 465.271 -0.109 50 20 JBGD Cc1nc[nH]c1CSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835938074 IFOGZRCKOCRBQT-QFIPXVFZSA-N 488.375 -0.599 50 20 JBGD Cn1nc(C(F)(F)F)cc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1838078201 CTFGQOWPMDUFMH-FQEVSTJZSA-N 496.251 -0.498 50 20 JBGD Cn1ccc2c(O)ncc(C(=O)N3CCO[C@]4(COCCN(C(=O)[C@H](O)CCl)C4)C3)c21 1838433527 HISYCPKDANRBKR-FOIQADDNSA-N 452.895 -0.051 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CNC(=O)C3)C2)C1 1838528252 MVTBLIRTCKWKLA-OYHNWAKOSA-N 490.469 -0.274 50 20 JBGD COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)c(C#N)c1 1839131843 CJZDWWBMNISHNJ-RUZDIDTESA-N 493.325 -0.441 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cnn(C)c3)C2)C1 1840183940 JDQUPOSFQGMHFZ-NRFANRHFSA-N 450.540 -0.818 50 20 JBGD CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@H](C(=O)N2CC3(CCCN3C(=O)c3ccc(B(O)O)cc3)C2)C1 1843011386 XVYDKPHHXKWPBI-RBUKOAKNSA-N 487.362 -0.199 50 20 JBGD O=C(NNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1)c1ccc[nH]1 747663625 ODZGGHSZXODKNF-UHFFFAOYSA-N 463.516 -0.053 50 20 JBGD O=C(NCCS(=O)(=O)N1CCN(c2ccccn2)CC1)NNC(=O)[C@@H]1COc2ccccc2O1 916516245 HHYGZKIFRIBPIU-SFHVURJKSA-N 490.542 -0.296 50 20 JBGD CSCC[C@@H](C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1)N1C(=O)c2ccccc2C1=O 920746505 WCFJKOSYBJBLKH-FZMZJTMJSA-N 454.530 -0.078 50 20 JBGD O=C(CN1C(=O)CSC1=S)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2 1783246389 RWLFLKCHQWCYJT-IIBYNOLFSA-N 491.400 -0.646 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCC(=O)N3C)C[C@@H]21 1787507879 XGXXUNAWHVTOJQ-BTYIJUTOSA-N 458.519 -0.279 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1nc2ccc(F)cn2n1 1790527632 JIDNXOVGCDMIQK-WBAXXEDZSA-N 467.266 -0.545 50 20 JBGD C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1)[C@H]1SC(=N)NC1=O 1791290909 DKKZFOMPYPBXGO-GGOFEBJYSA-N 468.580 -0.858 50 20 JBGD CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795736916 QFBNSWQUFYMRIZ-WTOCRXRJSA-N 499.373 -0.318 50 20 JBGD C[C@@H](NC(=O)c1ccc(F)cc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795739955 VTXLSPKFIIXVMN-WMIGDMCZSA-N 483.305 -0.473 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1C[C@@]13C(=O)Nc1ccccc13)C2)c1cccc(B(O)O)c1 1795741203 MSCOXZUGKSCBJW-ZEJMQVLBSA-N 475.310 -0.520 50 20 JBGD O=C(NC[C@H]1CCN(C(=O)c2cc3n(n2)CCNC3=O)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807370347 AVPLEXKSKVDPAA-UTKZUKDTSA-N 488.313 -0.665 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1CCN(C(=O)CC[C@@H](N)C(N)=O)[C@H]1c1cccnc1 1808414661 KZLIEAZUIAIQIY-ANPIAPTJSA-N 482.545 -0.186 50 20 JBGD O=C(COc1cccnn1)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1813389667 TXSBTIBZLPLJRT-GCJKJVERSA-N 461.287 -0.050 50 20 JBGD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(=O)nc3cccnn13)CC2)c1cccc(B(O)O)c1 1815360723 MSRISJRUWXDLHP-AWEZNQCLSA-N 490.310 -0.235 50 20 JBGD NC(=O)NCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCN2C(=O)OCc1ccccc1 1828551811 UZQGNIHZNVWWLC-HRAATJIYSA-N 481.937 -0.294 50 20 JBGD O=C(CCBr)NC1CCN(C2CCN(C(=O)[C@@H](O)N3CCOCC3)CC2)CC1 1834423647 BSSNWZOTWQMNMB-LJQANCHMSA-N 461.401 -0.006 50 20 JBGD O=C1CC[C@@H](C(=O)N2CCC(N3CCC(NC(=O)c4ccc(B(O)O)cc4)CC3)CC2)CN1 1834798156 XHFVQNXYIIVYCQ-QGZVFWFLSA-N 456.352 -0.922 50 20 JBGD Cc1nc(C(=O)N2CCC(N3CCC(NC(=O)c4cnccc4C(=O)NN)CC3)CC2)c(=O)[nH]c1C 1835737191 VEMWRKUMPWZSCD-UHFFFAOYSA-N 496.572 -0.116 50 20 JBGD C[C@H](Br)C(=O)N1CCC(N2CCC(NC(=O)[C@H](O)N3CCOCC3)CC2)CC1 1835763300 ANPSROPHHFFPPC-LIRRHRJNSA-N 461.401 -0.008 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)c3cc4n(n3)CCCC4)C2)C1 1835930211 BZHQIHKTHMGTCL-HSZRJFAPSA-N 468.319 -0.717 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1[nH]cnc1C)CCO2 1836554229 SGXWBGZOZJAUKL-XAOCGEIJSA-N 457.491 -0.078 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc3ncoc3c1)CCO2 1836572667 ZPGBKKNBZPZZFF-HSZRJFAPSA-N 465.271 -0.109 50 20 JBGD CN(CC(=O)N1CCO[C@]2(COCCN(C(=O)C(=O)C3CC3)C2)C1)NC(=O)NCc1ccccc1 1839054181 KNAYERQSYFQKCX-XMMPIXPASA-N 487.557 -0.232 50 20 JBGD CN(CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnnc3)C2)C1)NC(=O)NCc1ccccc1 1839054345 VDXRXYGCAMVVQL-XMMPIXPASA-N 497.556 -0.107 50 20 JBGD CC[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cc(C)c(O)nc3=O)C2)C1 1839967458 MYPNBRBGIKELEL-LIRRHRJNSA-N 487.351 -0.113 50 20 JBGD COC(=O)[C@@H]1CC=CC[C@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1840141566 KYABWNLSSVBFPY-YOSAUDMPSA-N 486.330 -0.808 50 20 JBGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCNC(=O)c3ccc[nH]3)C2)C1 1840150315 IDTNXOXKHLSJLL-FOIQADDNSA-N 456.927 -0.155 50 20 JBGD CCn1cnc2c1c(=O)n(CC(=O)NNC(=O)[C@@H]1CCN(C)C(=O)C1)c(=O)n2Cc1ccccc1 912497025 LVTBLLSPWXSSSM-MRXNPFEDSA-N 481.513 -0.556 50 20 JBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2ccc(S(=O)(=O)N(C)C)o2)cc1 914846336 HVAOACXHNPCWGC-UHFFFAOYSA-N 458.518 -0.080 50 20 JBGD O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 915188163 FIENWPYRNRLWFH-HKUYNNGSSA-N 477.587 -0.618 50 20 JBGD NS(=O)(=O)c1cc(C(=O)NNC(=O)CN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)ccc1Cl 915787709 PPLWONOVQPUSAQ-DMAMZFHHSA-N 452.876 -0.445 50 20 JBGD COc1cc2c(cc1OC)[C@@H](CC(=O)NNC(=O)NCCN1CCOCC1)N(S(C)(=O)=O)CC2 915884955 VODDTVZTQMQMPG-QGZVFWFLSA-N 499.590 -0.385 50 20 JBGD CCn1cnc2c1c(=O)n(CC(=O)NNC(=O)c1csnn1)c(=O)n2Cc1ccccc1 918017494 ZKCKEWJZZMHDMO-UHFFFAOYSA-N 454.472 -0.259 50 20 JBGD C[C@@H](C(=O)N1CC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1)n1ccccc1=O 1779274865 ZPULECBSXWNWIP-NYHFZMIOSA-N 454.487 -0.449 50 20 JBGD COC(=O)c1ccc(C(=O)N2CC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)c([N+](=O)[O-])c1 1782090134 OGYABCGSXMWJKJ-QHCPKHFHSA-N 497.269 -0.182 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@@]2(CCN(C(=O)COc3ccc(O)nn3)C2)C1 1782674249 DGCDGXVPGRPHQY-KURUZVKSSA-N 471.474 -0.475 50 20 JBGD CC[C@@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNCP(=O)(O)O)[C@H]2C1 1786793037 SMKMYTFBCORPHA-RVMXOQNASA-N 456.274 -0.136 50 20 JBGD Cc1cc2nnc(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)c5ccc(B(O)O)cc5)C[C@@H]43)c(C)n2n1 1787910607 ISGYLUQBSRDTBV-WDSOQIARSA-N 478.318 -0.672 50 20 JBGD CCCC(=O)N[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1 1788610960 CGEIUGKNLOCYQU-USJZOSNVSA-N 460.535 -0.417 50 20 JBGD CN(CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)CCl)NC(=O)NCc1ccccc1 1792978724 NFDUZKKVNDWUMO-ZMMAXQRCSA-N 467.954 -0.478 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)c2cnc(O)nc2O)[C@H]1c1cccnc1 1808279328 BZNOEEWYJRQJIR-KBXCAEBGSA-N 457.491 -0.025 50 20 JBGD O=C(CNC(=O)C(F)(F)F)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1813096780 FJJLUJZNJBNRQY-YJBOKZPZSA-N 478.236 -0.241 50 20 JBGD Cn1ncc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)c1C(F)(F)F 1833326043 BDPXIQKBOMYISY-FQEVSTJZSA-N 496.251 -0.498 50 20 JBGD C=CC(=O)N[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1 1835830702 FUXLFGXEGXBXGY-MRXNPFEDSA-N 450.584 -0.378 50 20 JBGD O=C(CN1CCc2sccc2C1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835926955 AIAYQCXSZLHCLJ-DEOSSOPVSA-N 499.398 -0.444 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)[C@H]3COc4ccccc4O3)C2)C1 1835933848 DUPVEMGSJSARSR-QPPBQGQZSA-N 482.298 -0.724 50 20 JBGD Cc1nccn1[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835939960 QLVWLMHBEBRPTA-OPAMFIHVSA-N 456.308 -0.797 50 20 JBGD C[Si](C)(C)c1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)co1 1837422372 RBSJLHPWZNMQEM-QHCPKHFHSA-N 486.406 -0.112 50 20 JBGD C[C@@H](Cn1cccn1)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837456914 PQXLSQCINUAXFT-KSFYIVLOSA-N 471.518 -0.712 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)C1 1837460180 WYWGVSLIAYAQKF-FQEVSTJZSA-N 473.446 -0.695 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCC(OC2CCN(C(=O)COc3ccc(O)nn3)CC2)CC1 1838394574 LYWUKSCDEGMSDM-UHFFFAOYSA-N 499.528 -0.128 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)Cc1ccccc1)CCO2 1839957810 ICBHFORZWOMNDX-QPPBQGQZSA-N 468.315 -0.960 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4cn[nH]c4cn3)C2)C1 1840184214 DADYNMNPRVCGBV-OAQYLSRUSA-N 459.507 -0.599 50 20 JBGD CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)C1 1840218972 WBIKCRZFGPULSS-IPHXSNPTSA-N 491.969 -0.586 50 20 JBGD C[C@@H](O)[C@H](NC(=O)c1ccccc1)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc(B(O)O)cc1 1847437462 ODPLFAYSFQFPIO-DVMWJLJYSA-N 465.315 -0.639 50 20 JBGD CCN(CC)S(=O)(=O)c1ccc(OCC(=O)NNC(=O)C(=O)N2CCCC2)c([N+](=O)[O-])c1 748246668 FQOUCFXXYYTPQF-UHFFFAOYSA-N 471.492 -0.226 50 20 JBGD COCCOCCOCCOCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1783679080 FFVVPQZNHGECQT-VQIMIIECSA-N 452.932 -0.888 50 20 JBGD CC(=O)Nc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)ccn1 1786983418 RPWFMGWUGDIGQT-IHPCNDPISA-N 466.303 -0.373 50 20 JBGD CC(C)(C)OC(=O)N[C@H](CCO)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1 1796189607 HNYDHNNBWDGKJY-FCGDIQPGSA-N 475.351 -0.106 50 20 JBGD Cc1ccc(=O)n(C(C)(C)C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc(B(O)O)c2)C3)n1 1798588278 VQFACSZPVDXCQR-REPLKXPHSA-N 452.320 -0.081 50 20 JBGD O=C(CCN1CCOCC1)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1806950311 FEPJYCCMLCXONG-NZQKXSOJSA-N 466.347 -0.197 50 20 JBGD O=C(NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1)c1cc(=O)n2[nH]cnc2n1 1807352370 FWRGSFJWPZENBD-JXFKEZNVSA-N 487.285 -0.874 50 20 JBGD CN[C@@H](CC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cnccc2C(=O)NN)CC1)C(=O)O 1828926643 MUSVLPVWVUXCRT-ZWKOTPCHSA-N 460.535 -0.019 50 20 JBGD CCS(=O)(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)CBr)C2)C1 1831318212 OEBISAQNYFPSEM-CPUCHLNUSA-N 484.413 -0.198 50 20 JBGD CC(=O)NC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C2)C1 1831472063 CHEHDQXMFYNGKK-IBUSPFOHSA-N 476.534 -0.509 50 20 JBGD COc1ccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)cn1 1832580648 MIKQEGAJOUFWGH-DEOSSOPVSA-N 483.330 -0.527 50 20 JBGD O=C(CSc1ccncc1)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1832705520 CWOOJSZGNJFKIH-JOCHJYFZSA-N 471.344 -0.376 50 20 JBGD C[C@@](O)(C(=O)NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1)C(F)(F)F 1833640946 UQFWUJWVUZHEPR-HXUWFJFHSA-N 471.285 -0.135 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1)c1cc(=O)cco1 1834342197 DAXUQTIUWHYUBL-UHFFFAOYSA-N 453.304 -0.181 50 20 JBGD C[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)CCBr)CCO2)C1)N1CCN(C)CC1 1834824007 QUJNAJQTVWGJRD-LPHOPBHVSA-N 461.401 -0.136 50 20 JBGD O=C(CNc1ccc(F)cc1)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1835584585 ORMLKZIDICTOGF-QHCPKHFHSA-N 471.294 -0.312 50 20 JBGD N[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1)c1cccc(Cl)c1 1835731077 SQZQECXEYHHOIX-NFBKMPQASA-N 487.749 -0.210 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC1CCN(C2CCN(C(=O)c3cc(O)n[nH]3)CC2)CC1 1835737032 SEBATTMNTDTURX-UHFFFAOYSA-N 456.507 -0.387 50 20 JBGD O=C(Cc1cnc2ccccn12)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835925928 BBFSHEZINHZLDI-XMMPIXPASA-N 478.314 -0.673 50 20 JBGD C[C@H](Nc1nccs1)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835928328 KTJYWYDUGGCPLJ-YCRPNKLZSA-N 474.348 -0.607 50 20 JBGD O=C1CCc2ccc(C(=O)N3CCOC[C@]4(C3)CN(C(=O)c3cccc(B(O)O)c3)CCO4)cc2N1 1835939396 PGMWJIXKUNFAFL-VWLOTQADSA-N 493.325 -0.365 50 20 JBGD Cc1cccn2ncc(C(=O)N3CCOC[C@]4(CN(C(=O)c5cccc(B(O)O)c5)CCO4)C3)c12 1835939587 UIARDFAIVNMYEV-DEOSSOPVSA-N 478.314 -0.294 50 20 JBGD CC(=O)N1CCN(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)Br)C3)C2)CC1 1836768622 HKTRCTYHVROKMU-DNVCBOLYSA-N 475.384 -0.610 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1c[nH]c3cnccc13)CCO2 1837176654 VOFIWQIXCCYVIN-QHCPKHFHSA-N 479.497 -0.055 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@@]2(COCCN(C(=O)CS(C)(=O)=O)C2)C1 1838528223 LYDNSEFUELNWMZ-HXUWFJFHSA-N 499.498 -0.365 50 20 JBGD CN1CCN(C2(C(=O)N3CCOC[C@]4(CN(C(=O)[C@@H](F)Br)CCO4)C3)CC2)CC1 1839201612 COEYYIPDOHDWRB-QAPCUYQASA-N 477.375 -0.087 50 20 JBGD NC[C@H](N)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](Br)Cc1ccccc1)CCO2 1839801834 FQFMXTXVMPCNFO-UWVAXJGDSA-N 469.380 -0.265 50 20 JBGD CN(CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN1CC(=O)NC1=O)NC(=O)NCc1ccccc1 1848067064 CAUWFALUKMCECZ-IRXDYDNUSA-N 471.518 -0.914 50 20 JBGD COc1cc2c(cc1OC)[C@H](CC(=O)NNC(=O)c1nccnc1N)N(S(C)(=O)=O)CC2 824202036 DLAOXJJRCJQHTH-ZDUSSCGKSA-N 464.504 -0.214 50 20 JBGD COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779034976 YPMBHAPASQFWTL-MFEFFIJZSA-N 471.514 -0.116 50 20 JBGD COc1cc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2ccc(B(O)O)cc2)C3)nn1C 1780242839 PXVHWOHKKUQDDP-XMSQKQJNSA-N 456.308 -0.450 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CNC(=O)C(F)(F)F)C2 1782213996 GJTCVSDWDGUFQA-FZKQIMNGSA-N 465.473 -0.448 50 20 JBGD O=C(Cn1nnc2ccccc21)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1784894552 BAXHHUIWVPCPIO-MDKPJZGXSA-N 463.303 -0.595 50 20 JBGD CN(C)CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN(C)NC(=O)NCc3ccccc3)C[C@@H]21 1786479721 QILJHLNZGJWGJI-UFYCRDLUSA-N 460.579 -0.126 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(-n4cccn4)nc3)C[C@@H]21)c1cccc(B(O)O)c1 1786983910 FJDDNVZNLNJUFM-JBACZVJFSA-N 475.314 -0.146 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc4nn[nH]c4c3)C[C@@H]21 1788609866 PMZJPXGKCORRNO-AXHNFQJDSA-N 464.486 -0.137 50 20 JBGD COC(=O)[C@H]1CC=CC[C@H]1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1791236698 XXCYVTNRWWNDKT-WTNASJBWSA-N 470.331 -0.285 50 20 JBGD CC[C@@H](NC(C)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN(C)NC(=O)NCc1ccccc1)C2 1792535550 HMMDFMPUEWYYLG-XAPVIXHLSA-N 488.589 -0.163 50 20 JBGD Cc1cc(C)n2ncc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)c3cccc(B(O)O)c3)C4)c2n1 1796920815 WPUDXLIWVIKFFN-XEMDLRDOSA-N 463.303 -0.457 50 20 JBGD Cc1ccc(=O)n(C(C)(C)C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(B(O)O)cc2)C3)n1 1798588234 SLZAESSJHKMKJO-REPLKXPHSA-N 452.320 -0.081 50 20 JBGD COC[C@@H](NC(C)=O)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1820187317 XZMGOTATVXBSDR-GDBMZVCRSA-N 460.321 -0.800 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1CCN(C)CC1)CCO2 1829890039 RVUSXDQTMMKVHM-QADUPLGGSA-N 474.562 -0.081 50 20 JBGD C[C@](Cl)(CCl)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CC(=O)NC3=O)CCO2)C1 1832480187 BBDLORVZCUAINQ-IRXDYDNUSA-N 451.307 -0.769 50 20 JBGD C[C@H](Cn1cccn1)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1833199341 PBQCZFKXMSENCZ-OPAMFIHVSA-N 471.518 -0.712 50 20 JBGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(S(C)(=O)=O)cn3)CCO2)C1 1833599633 PZSZMSRCDKWPPL-HNAYVOBHSA-N 475.951 -0.191 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC1CCN(C2CCN(C(=O)CN3CCNC3=N)CC2)CC1 1835118161 BLPDIFRLFORRJF-LQKURTRISA-N 485.593 -0.468 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC1CCN(C2CCN(C(=O)[C@@H](N)Cc3cccnc3)CC2)CC1 1835736834 JHNLATIJJOPKOC-QFIPXVFZSA-N 494.600 -0.165 50 20 JBGD CNc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)cc1 1835929569 WRKBQKWEWVGMQH-QHCPKHFHSA-N 453.304 -0.208 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)c1cc3n(n1)CCCC3)CCO2 1836976842 DSMOAMSBARJHDI-QHCPKHFHSA-N 468.319 -0.717 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837531882 ZCIGFRLDHMYBPH-ZGOGOCENSA-N 490.517 -0.716 50 20 JBGD Cc1cc(C(=O)NCC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)Br)C3)C2)no1 1837550123 PAVZLJRPHGCEHC-ACJLOTCBSA-N 473.324 -0.047 50 20 JBGD NC(=O)c1nccnc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1838330532 JEMQSWQIFKHYRW-LRDDRELGSA-N 460.260 -0.664 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1nn[nH]c1C(F)(F)F)CCO2 1838766285 SJTWGHCIJGUXAS-SFHVURJKSA-N 498.422 -0.794 50 20 JBGD NC(=O)c1ncccc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839198414 ZWFUYZSCUHLFJP-GUYCJALGSA-N 459.272 -0.059 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCN3CCCCC3)C2)C1 1840184002 NCQUIVYUNYKCQH-JOCHJYFZSA-N 453.584 -0.308 50 20 JBGD CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N1CCCC12CN(C(=O)c1cnccc1C(=O)NN)C2 1845222939 KBMDVKNYVAQFOT-INIZCTEOSA-N 476.534 -0.222 50 20 JBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)CC2)cc1 917925799 MYQFAYGIMYYFMI-UHFFFAOYSA-N 484.542 -0.262 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)c3cc4n(n3)CCCO4)C2)C1 1778553837 YUVGNVJGONUNCA-NRFANRHFSA-N 455.475 -0.579 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](N)CN)C2 1780054246 FIISJLAKKMYYMB-YRISNDGFSA-N 463.491 -0.066 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1cnc2snnc2c1 1789202360 GUDYGVXFUHZOHI-OWQGQXMQSA-N 467.316 -0.327 50 20 JBGD COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]3C2)n1 1791290960 HDJWEKYOKIKZNO-DZKIICNBSA-N 478.506 -0.035 50 20 JBGD CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](O)CCl)C1 1792983021 YGNDNVHRWJTTAW-YJVQVXSTSA-N 461.943 -0.452 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC[C@H](N)C(N)=O)C2 1793881166 SKSGJQYOIRCDGU-RGHULWKBSA-N 475.974 -0.699 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc3snnc3c1)C2)c1cccc(B(O)O)c1 1795740220 GEZIGLYLPVRHFG-XOIINTDNSA-N 453.289 -0.717 50 20 JBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CC(=O)N(C3CCCC3)C1)C2 1797748702 VMYBJHCWVRUTLQ-YUWJWYLASA-N 484.557 -0.321 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)Cn1cncn1 1797899572 SEEQPGDXNZGRMF-WJWJAVMBSA-N 456.507 -0.362 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(-c2cccnc2)[nH]n1 1798158498 GATINQWJCZPISL-YVWYUNDQSA-N 476.497 -0.013 50 20 JBGD O=C(Cn1cc([N+](=O)[O-])cn1)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1804417417 AHOVJNKNZDJKMF-DYESRHJHSA-N 478.274 -0.114 50 20 JBGD O=C(NC[C@@H]1CCN(C(=O)CCN2CCOCC2)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807362354 GNPXYALUMBOSLN-REWPJTCUSA-N 466.347 -0.197 50 20 JBGD Cc1cn(CC(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(B(O)O)cc3)n[nH]2)c(=O)nc1O 1817475697 RPHVFGGRSDOCDF-QGZVFWFLSA-N 480.290 -0.334 50 20 JBGD COC[C@@H](NC(C)=O)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1 1817477048 XKAOYGGLPYOCJS-QZTJIDSGSA-N 457.296 -0.454 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCC([C@H]2CCCCN2C(=O)CN(CCO)CCO)CC1 1831487217 ACCGQBPVAWEBAS-HXUWFJFHSA-N 476.578 -0.795 50 20 JBGD COc1ncc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)cc1F 1833484439 NIHULLUXAUQHSO-QFIPXVFZSA-N 473.266 -0.707 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)Cc3ncccn3)CC2)CC1)c1ccc(B(O)O)cc1 1834797238 AFXCWFMKYGXZOR-UHFFFAOYSA-N 451.336 -0.416 50 20 JBGD CCOC(=O)/C=C/C(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834797849 DKPHZFWEEXCNDT-BQYQJAHWSA-N 457.336 -0.329 50 20 JBGD C[C@H](CS(C)(=O)=O)C(=O)N1CCC(N2CCC(NC(=O)c3cnccc3C(=O)NN)CC2)CC1 1835734704 PXSSAKLESNNNRP-OAHLLOKOSA-N 494.618 -0.449 50 20 JBGD COCCOCC(=O)N1CCC(N2CCC(NC(=O)c3cnccc3C(=O)NN)CC2)CC1 1835736777 HKOUNTNVHQFWKU-UHFFFAOYSA-N 462.551 -0.467 50 20 JBGD O=C(C[C@@H]1COc2ccccc2O1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835926944 AFFUEMKBQRNECN-CJFMBICVSA-N 496.325 -0.334 50 20 JBGD O=C(C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2)c1ccccc1 1835929371 MSWGPFMVXKYJKN-HSZRJFAPSA-N 452.272 -0.681 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCC(OC2CCN(C(=O)c3cccc(=O)n3O)CC2)CC1 1837283973 QFUBEAJLGHLJTK-UHFFFAOYSA-N 469.303 -0.309 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4ccccc34)C2)C1 1837459080 ILASGFQICMAAAV-HSZRJFAPSA-N 479.497 -0.055 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839202986 VWKCBVIUOQCLKD-ZBFHGGJFSA-N 453.309 -0.494 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)c1cc3ncccc3[nH]1)CCO2 1839491808 BJDXFDPRUVDGLZ-QHCPKHFHSA-N 464.287 -0.374 50 20 JBGD CC[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cc(C)c(O)nc3=O)C2)C1 1839967457 MYPNBRBGIKELEL-KUHUBIRLSA-N 487.351 -0.113 50 20 JBGD CN(C)S(=O)(=O)c1ccc(S(=O)(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)cc1 915187791 BQBMGXADOQFOPD-UHFFFAOYSA-N 461.543 -0.036 50 20 JBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NC[C@]3(N4CCOCC4)CCSC3)nc2)CC1 916636932 PWIBUOLJZNFENC-HXUWFJFHSA-N 499.663 -0.148 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(C1)CN(C(=O)c1cnn3ccncc13)CCO2 1779032539 RYKNQICLMQEYRK-OAQYLSRUSA-N 450.459 -0.515 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(O)c([N+](=O)[O-])c3)C[C@@H]21)c1cccc(B(O)O)c1 1786984768 HKEBUHADOHMIKY-KNBMTAEXSA-N 469.259 -0.113 50 20 JBGD CC(=O)N[C@@](C)(C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1)c1ccccc1F 1795739958 VWCOEVCSVQMLHO-VCYDUHQGSA-N 497.332 -0.240 50 20 JBGD CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1 1796188618 ZUSQWXSSFYPNAL-FCGDIQPGSA-N 475.351 -0.106 50 20 JBGD C[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2)N1CSCSC1 1797846542 WFOIAKAKOFCKFI-AFIMGQEJSA-N 459.638 -0.008 50 20 JBGD CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnccc1C(=O)NN 1798439583 LBBDFIAVJDBNQJ-UMPJEAMMSA-N 476.534 -0.178 50 20 JBGD CC(=O)N/C(=C\c1ccco1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2 1799687543 TXIYUBREIWIBDA-QGCQWZGZSA-N 461.519 -0.281 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)[C@@H]1CC(c2ccccc2)=NN1 1800152099 CDOANWKJEHSBJV-UDKICSLYSA-N 462.315 -0.664 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CNC(=O)C1 1800523988 NSYLUZHTHODDDL-VYGYDYRJSA-N 460.443 -0.141 50 20 JBGD Cn1c(=O)c2c(ncn2CC(=O)N2CCC3(CCCN(C(=O)[C@@H](O)CCl)C3)CC2)n(C)c1=O 1805518942 XSXWMCIIZUQIPL-AWEZNQCLSA-N 480.953 -0.735 50 20 JBGD CN1CCN(CCC(=O)N2CC[C@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)CC1 1807365271 UEVHVHFYWVEJSZ-ZJSXRUAMSA-N 479.390 -0.282 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCC2(CCCN(C(=O)c3ccc(B(O)O)cc3)C2)CC1 1809967059 PVWSDSGRGQBLKO-UHFFFAOYSA-N 450.109 -0.795 50 20 JBGD CN[C@H](CC(=O)N1CC[C@@H](CNC(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1)C(=O)O 1810301630 AVGMPWZSVRJJFR-YJLNNSPDSA-N 469.502 -0.538 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1813074292 SNNHJBLHPZUQDF-IIBYNOLFSA-N 482.545 -0.227 50 20 JBGD CN[C@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)CBr)CCO2)C(=O)O 1830538064 VATAHFSXWSYECU-OGHNNQOOSA-N 450.330 -0.464 50 20 JBGD C[C@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)N3CCOCC3)C2)C1 1830540094 MVWHPPIITYTCHQ-UWWQBHOKSA-N 464.357 -0.876 50 20 JBGD COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)cc1 1835067068 NRPVJFZOQVPIKD-DEOSSOPVSA-N 468.315 -0.312 50 20 JBGD O=C(Cc1cccc([N+](=O)[O-])c1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835926617 VBFJHVCDPGMTJO-QHCPKHFHSA-N 483.286 -0.413 50 20 JBGD CC(C)N1CCC(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)CC1 1835934263 RXDAFRJBCIZWOX-DEOSSOPVSA-N 473.379 -0.443 50 20 JBGD C[C@H](Oc1ccccc1)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835940175 XPJKLCSPEKRDHR-UUOWRZLLSA-N 468.315 -0.096 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(Cl)nn3)C2)C1 1837458845 FNASDUOLSHUDBC-FQEVSTJZSA-N 475.893 -0.488 50 20 JBGD CC(=O)OC[C@H](OC(C)=O)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)Br)CCO2)C1 1840033829 SCNLRSSQABLCOS-QITLCBANSA-N 479.324 -0.279 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=O)c3cccs3)C2)C1 1840182761 SZVVVRGJFNQYDA-OAQYLSRUSA-N 481.575 -0.693 50 20 JBGD CN1C(=O)Cc2cc(S(=O)(=O)NNC(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)ccc21 12968360 LGHTZDZHNPVBBA-UHFFFAOYSA-N 494.551 -0.150 50 20 JBGD Cc1csc(CC(=O)NNC(=O)COC(=O)Cn2cnc3c(c(Br)nn3C)c2=O)n1 728731070 DLCWKCROZOOSPJ-UHFFFAOYSA-N 498.319 -0.409 50 20 JBGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)NCCCN1CCC[C@H](C(N)=O)C1 729493867 AVDXWTQBEHHMJW-AWEZNQCLSA-N 453.569 -0.180 50 20 JBGD COc1ccc(NCC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)cc1 906478351 SARUJARNNVAGLW-UHFFFAOYSA-N 461.500 -0.311 50 20 JBGD COc1cc2c(cc1OC)[C@H](CC(=O)NNC(=O)[C@@H](C)NC(C)=O)N(S(C)(=O)=O)CC2 913161288 IAJCEUZUSRTTAM-ABAIWWIYSA-N 456.521 -0.375 50 20 JBGD Cc1ccc(-c2cc(C(=O)NNC(=O)CCn3cnc4c3c(=O)n(C)c(=O)n4C)n[nH]2)cc1 917177982 BUJWHXPNRWRJIT-UHFFFAOYSA-N 450.459 -0.016 50 20 JBGD N#Cc1ccc(OCC(=O)NNC(=O)c2cc(S(N)(=O)=O)ccc2N2CCOCC2)cc1 920225280 VWWNIWVPJGRANU-UHFFFAOYSA-N 459.484 -0.118 50 20 JBGD COc1cc(C(=O)N2CC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)c([N+](=O)[O-])cc1O 1780195406 PWWAVJUXSRXHAX-JOCHJYFZSA-N 485.258 -0.254 50 20 JBGD N#Cc1ccc2[nH]nc(C(=O)N3CC[C@@]4(CN(C(=O)c5cccc(B(O)O)c5)CCO4)C3)c2c1 1782195593 GTANNXGEVCQHDO-QHCPKHFHSA-N 459.271 -0.128 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)c3nc4ccc(F)cn4n3)C2)C1 1782567112 GEERSDCYPXKLIK-NRFANRHFSA-N 468.449 -0.376 50 20 JBGD COC(=O)[C@@H]1CC=CC[C@H]1C(=O)N1CCO[C@@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783938084 SPOXQDNDXRZZDR-DRSNIGMVSA-N 450.536 -0.055 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)[C@@H]1CC(c2ccccc2)=NO1 1793279621 LWUOKNTZOAGGGW-UDKICSLYSA-N 463.299 -0.237 50 20 JBGD CC(C)(C)OC(=O)N1CC2(C[C@@H]2C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)C1 1800707404 OJCFDKARSIODOW-PIKOESSRSA-N 499.373 -0.173 50 20 JBGD C[C@@H](NNc1ccccc1)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1829806138 BLSKTQYNSKXIIH-HOYKHHGWSA-N 482.346 -0.558 50 20 JBGD CNC(=S)NCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)CBr)CCO2 1830541087 XRPVCMQAGGEXBJ-CXAGYDPISA-N 465.414 -0.042 50 20 JBGD O=C(c1ccc2nc(CO)[nH]c2c1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830727858 IKHOGIVOQIPOOQ-JXFKEZNVSA-N 452.895 -0.275 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccn(C)c1=O)CCO2 1831884845 CHQTYZZZTJLWET-DZQSVEARSA-N 484.513 -0.411 50 20 JBGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccnc3CS(C)(=O)=O)CCO2)C1 1833565617 PHKNILZHCTUMQX-JXFKEZNVSA-N 489.978 -0.050 50 20 JBGD Cc1cc(NC(=O)CC(=O)N2CCC(N3CCC(NC(=O)c4cccc(B(O)O)c4)CC3)CC2)no1 1834799925 FLSPNGFAVJGVHP-UHFFFAOYSA-N 497.361 -0.123 50 20 JBGD O=C(CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2)Nc1ccc(F)cc1 1835939731 YOKVZHXGYPOOOE-DEOSSOPVSA-N 499.304 -0.396 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CSc1ncccn1)CCO2 1836114694 VOOBQQJWSIORRT-FQEVSTJZSA-N 466.564 -0.602 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCC(OC2CCN(C(=O)c3cc(=O)n4[nH]cnc4n3)CC2)CC1 1837917665 BIZINFOVJSQBJR-UHFFFAOYSA-N 494.317 -0.977 50 20 JBGD CN(CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ncc[nH]3)C2)C1)NC(=O)NCc1ccccc1 1839054070 FWTHDQZTJQLYRF-HSZRJFAPSA-N 485.545 -0.174 50 20 JBGD COC(=O)Nc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)c1 1839244855 OKSSEUZYVIUHNQ-DEOSSOPVSA-N 497.313 -0.072 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccn4nccc4c3)C2)C1 1840184649 ZPGZZLBDGROUIZ-JOCHJYFZSA-N 458.519 -0.223 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCCn3ccnc3)C2)C1 1840185997 VQNKFLQXWRHZKG-OAQYLSRUSA-N 450.540 -0.507 50 20 JBGD C[C@@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3C(=O)C=CC3=O)CCO2)C1 1840260786 AIOSPAJFHYFREG-SCLBCKFNSA-N 458.309 -0.601 50 20 JBGD CC(C)(C)OC(=O)N1CC(=O)C[C@H]1C(=O)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843010416 NHJKQNOCFRJFJT-SFHVURJKSA-N 471.319 -0.238 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](Cc1ccc(B(O)O)cc1)C(=O)N1CCCC12CN(C(=O)C(=O)C1CC1)C2 1843428747 OGXHGXZUDUJCCX-IBGZPJMESA-N 499.373 -0.015 50 20 JBGD CN(C)S(=O)(=O)c1c[nH]c(C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)c1 915240607 XMUWWTZDMVJTHO-OAHLLOKOSA-N 452.445 -0.591 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](N)CCC(N)=O)CCO2 1780097096 PSYFFKZSCPOWRH-KKSFZXQISA-N 477.474 -0.444 50 20 JBGD C[C@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cnccc1C(=O)NN)C2)n1cnnn1 1782602377 BPSOKPHENKWVRZ-OWDMVUQNSA-N 457.495 -0.940 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3C[C@H](O)CN3)C[C@@H]21 1785078932 FOYZMLGDMREZPP-UYLCUJDWSA-N 474.986 -0.179 50 20 JBGD O=C(CN1C(=O)CNC1=O)NC1(c2ccc(NC(=O)c3cccc(B(O)O)c3)cc2)CCC1 1788144949 GYBYBKNGNGNXBM-UHFFFAOYSA-N 450.260 -0.334 50 20 JBGD CN1Cc2ccccc2C[C@@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1793829024 PUHKZVYFUGUJQL-GMQQQROESA-N 478.553 -0.055 50 20 JBGD CC(C)n1nc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)cc1C(=O)O 1794435348 QXHVZKDSKAWNLN-IVWMJMPLSA-N 485.501 -0.322 50 20 JBGD COc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)cc([N+](=O)[O-])c1OC 1795736265 UBWDVXBWKCETOB-CWPLJXCYSA-N 499.285 -0.191 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1nc2cc([N+](=O)[O-])ccc2[nH]1 1799877149 HQZBNPWSPJCWED-HBCWATKFSA-N 479.258 -0.332 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1C[C@@]12C(=O)Nc1ccccc12 1800736512 MNMXFRLZAZUQGS-ZWRYUADCSA-N 490.520 -0.202 50 20 JBGD COC(=O)[C@H]1CC=CC[C@@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C 1801012194 MRTYLQYMBQIETK-WFNPHZEWSA-N 450.536 -0.296 50 20 JBGD CNC(=S)NCCC(=O)NC[C@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1 1810312286 UIODZHZZPXQUFW-UZLBHIALSA-N 463.608 -0.056 50 20 JBGD O=C(Cn1cnnn1)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@H](O)CCl)C2)C1 1829013721 AEPQYCUVBYYLRH-UTKZUKDTSA-N 491.936 -0.275 50 20 JBGD C[C@@H](O)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1829325155 DPIOZPMBBWOAOE-CJAUYULYSA-N 495.341 -0.187 50 20 JBGD CC(C)c1nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)co1 1833343169 RWVFMDOFQAQYLS-JOCHJYFZSA-N 457.292 -0.138 50 20 JBGD Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)nn1C 1834120708 KEMBEUQWCWVHGH-NRFANRHFSA-N 457.491 -0.889 50 20 JBGD O=C(CNCP(=O)(O)O)NC1CCN(C2CCN(C(=O)[C@@H](F)Br)CC2)CC1 1834666141 IHRZSOJLEQJBPE-CQSZACIVSA-N 473.280 -0.027 50 20 JBGD O=C(c1ccn2cncc2c1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835930540 LXJMCCCQNPJUEU-HSZRJFAPSA-N 464.287 -0.602 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)c3c(F)cncc3F)C2)C1 1835938530 XLWDYWXGMZOWDH-OAQYLSRUSA-N 461.230 -0.577 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnc3[nH]ncc3c1)CCO2 1836815440 NTIFUJMMTNROSW-NRFANRHFSA-N 459.507 -0.599 50 20 JBGD CCS(=O)(=O)N[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1836845946 ZVOBJXACNPXAFJ-MRXNPFEDSA-N 495.407 -0.694 50 20 JBGD C[C@H](CC(N)=O)C(=O)N1CCC(OC2CCN(C(=O)c3cnccc3C(=O)NN)CC2)CC1 1836910735 UFXLZQFHODITRL-CQSZACIVSA-N 460.535 -0.191 50 20 JBGD CC(C)N[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1)C(C)C 1837457532 IKABSUZEKOHRQQ-WMZHIEFXSA-N 476.578 -0.222 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)CC[C@H]3CCOC3)C2)C1 1837461349 UTOSCAPYAVTXIH-KSFYIVLOSA-N 461.519 -0.428 50 20 JBGD O=C(COC(=O)Cn1c(=O)nc(O)c2ccccc21)NNC(=O)[C@@H]1COc2ccccc2O1 809010302 HMWZGYQABYAKPO-INIZCTEOSA-N 454.395 -0.367 50 20 JBGD CS(=O)(=O)N1CCC[C@H](NC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)C1 920238930 NRLCRDDLFOVKNL-HNNXBMFYSA-N 473.577 -0.161 50 20 JBGD CC(=O)N(C)CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnccc2C(=O)NN)C1 1779371159 JWZIXIUIKFJYNG-XMSQKQJNSA-N 460.535 -0.319 50 20 JBGD COc1cccnc1CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1785240829 BHNNDVGHWFUFFU-JLMWRMLUSA-N 467.331 -0.004 50 20 JBGD CN(CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CSC(=N)N)C[C@@H]21)NC(=O)NCc1ccccc1 1789726891 ZCXBTEGNWPGJDD-BZSNNMDCSA-N 491.618 -0.061 50 20 JBGD CC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)C[C@@H]21 1789858727 KRZMMGOKCUTGDA-AJNGGQMLSA-N 480.953 -0.569 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(N4CCOCC4)cn3)C[C@@H]21 1791288832 WLDNHRFOIFKKCF-CUWPLCDZSA-N 488.589 -0.116 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1Cc2ccccc2CN1 1796327054 BEZBNCWFGGJRCQ-JWWGGVBKSA-N 464.526 -0.397 50 20 JBGD COc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)c(O)c1 1797752920 MQCWOGKLOQFHFK-DBWKPXFBSA-N 455.471 -0.084 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1cnc2snnc2c1 1798505647 WKHIRZVQOBPXLH-XOIINTDNSA-N 453.289 -0.717 50 20 JBGD CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](O)CCl)C3)C1 1799197245 WNWQBBSRETZADW-YUDUXTHKSA-N 461.943 -0.597 50 20 JBGD O=C(NC[C@H]1CCN(C(=O)c2cc3n(n2)CCNC3=O)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807370345 AVPLEXKSKVDPAA-DYESRHJHSA-N 488.313 -0.665 50 20 JBGD CN1CCN(C2(C(=O)N3CC[C@H](CNC(=O)c4cccc(B(O)O)c4)[C@@H]3c3cccnc3)CC2)CC1 1807373192 OUVLKYFFOWKIHM-GGAORHGYSA-N 491.401 -0.139 50 20 JBGD O=C(NC[C@H]1CCN(C(=O)CCN2CCOC2=O)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807377085 XFKMJTONAQCWAP-NQIIRXRSSA-N 466.303 -0.077 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)n2)[C@H]1c1cccnc1 1810302931 NSGAKTOBIMEAJK-UGSOOPFHSA-N 478.469 -0.085 50 20 JBGD COC[C@H](NC(C)=O)C(=O)NC[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1810565675 SAQWQPIRWBPPBB-BBTUJRGHSA-N 462.551 -0.389 50 20 JBGD NNC(=O)c1ccncc1C(=O)N[C@H]1CCc2nc(NC(=O)CN3CCOCC3)sc2C1 1814567274 RQNWOFWOBKMINX-LBPRGKRZSA-N 459.532 -0.300 50 20 JBGD CC(=O)OC[C@@H](OC(C)=O)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815356868 UVDNYIYJDJLNSV-NVXWUHKLSA-N 489.315 -0.457 50 20 JBGD Cn1c(=O)c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)nc2ccccc21 1830727876 IWFVWOROVDCTCE-IIBYNOLFSA-N 464.906 -0.397 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1COc3ccccc3O1)CCO2 1832497826 RKBVFTZYSDOIJE-GBXCKJPGSA-N 497.508 -0.405 50 20 JBGD Cc1cc(C)n(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)n1 1833040628 FPCSBOORECHLLE-OAQYLSRUSA-N 450.540 -0.671 50 20 JBGD C[C@@H](CS(C)(=O)=O)C(=O)N1CCC(N2CCC(NC(=O)c3cnccc3C(=O)NN)CC2)CC1 1835734702 PXSSAKLESNNNRP-HNNXBMFYSA-N 494.618 -0.449 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1Cc3ccccc3O1)CCO2 1836650318 GTHFFQUVROGVCX-RDPSFJRHSA-N 481.509 -0.241 50 20 JBGD C[C@H](Cn1ccnc1)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837461503 WCSSXCHEAFHGCM-ZHRRBRCNSA-N 471.518 -0.712 50 20 JBGD CS(=O)(=O)CCC(=O)N1CCC(OC2CCN(C(=O)c3cnccc3C(=O)NN)CC2)CC1 1838395450 ROOHSPBGUNLCHH-UHFFFAOYSA-N 481.575 -0.268 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCC(OC2CCN(C(=O)[C@H]3CCNC(=O)C3)CC2)CC1 1838395514 YFCOFEZHNNTLHM-HNNXBMFYSA-N 472.546 -0.177 50 20 JBGD Cc1cccn2ncc(C(=O)N3CCO[C@]4(COCCN(C(=O)c5cccc(B(O)O)c5)C4)C3)c12 1839611150 ZYLBZBDVEFILRE-DEOSSOPVSA-N 478.314 -0.294 50 20 JBGD CC[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCN(C(C)=O)CC3)C2)C1 1839965293 TVCMJYISKCGPCF-FXAWDEMLSA-N 489.411 -0.220 50 20 JBGD O=C(Cc1cccc(F)c1F)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1839981848 WYVFFGBGZLPHSB-QHCPKHFHSA-N 474.269 -0.043 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCNC(=O)C1)CCO2 1840230059 XPNVCGLAMBPJLS-ZLYBIFGKSA-N 474.518 -0.897 50 20 JBGD CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)CC2)cc1 729276050 WFEVSGDNJZIPGZ-LBPRGKRZSA-N 474.561 -0.625 50 20 JBGD CC(=O)N1CCC(CNC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)CC1 1115995685 FNEDYTUJLDSBQM-UHFFFAOYSA-N 467.548 -0.090 50 20 JBGD CC[S@@](=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2 1779221744 IPDATFMTYJZRHB-YVNAYOARSA-N 450.366 -0.347 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc4cccnn4n3)C2)C1 1779961775 MVRKGYXORZDRJM-OAQYLSRUSA-N 450.459 -0.515 50 20 JBGD C[C@@H](C(=O)N1CCO[C@]2(CCN(C(=O)CN(C)NC(=O)NCc3ccccc3)C2)C1)n1cnnn1 1780968259 AAGZLMPDUTUACI-JTSKRJEESA-N 485.549 -0.590 50 20 JBGD CN(CC(=O)N1CC[C@]2(CN(C(=O)CCn3cncn3)CCO2)C1)NC(=O)NCc1ccccc1 1780969485 NIRYESZPHJKQFF-HSZRJFAPSA-N 484.561 -0.156 50 20 JBGD Cc1cc(NC(=O)CC(=O)N2CCO[C@@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)no1 1783934351 FLNISTUXYCYDDM-HXUWFJFHSA-N 450.496 -0.485 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccnc3C(N)=O)[C@H]2C1 1785514341 QTGHSMZPZGIBCS-ZEYHFOIASA-N 481.513 -0.092 50 20 JBGD Cn1ccc2c(O)ncc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)c5ccc(B(O)O)cc5)[C@H]4C3)c21 1786981075 PBPKAFJODKPYHZ-YSSFQJQWSA-N 478.314 -0.134 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4n(n3)CCCO4)C[C@@H]21)c1cccc(B(O)O)c1 1786984280 YCSOQXPSVVNUSB-IEZWGBDMSA-N 454.292 -0.748 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(=O)nc4sccn34)C[C@@H]21 1788610338 XQRWUJDSRVRFBT-NUTKFTJISA-N 497.537 -0.338 50 20 JBGD COc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)c([N+](=O)[O-])cc1O 1830731812 MWXPYAYUGIOZII-DNVCBOLYSA-N 473.866 -0.021 50 20 JBGD CC(C)(C)OC(=O)CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1830800398 DYQMXQHLWSQWLQ-XMMPIXPASA-N 490.362 -0.052 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(=O)n1O)CCO2 1833471208 CBYDRAWNJHTGBG-NMWDDECMSA-N 486.485 -0.710 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnsn1)CCO2 1833529202 WAUZAAKLWJKLDG-PPRFWAEMSA-N 461.504 -0.258 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)[C@@H]3COc4ccccc4O3)C2)C1 1835933852 DUPVEMGSJSARSR-XUZZJYLKSA-N 482.298 -0.724 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(CN(C(=O)CSc3ncccn3)CCO2)C1 1836111268 MPUIPURDPGMNTJ-OAQYLSRUSA-N 487.542 -0.663 50 20 JBGD C[C@@H](Nc1cnccn1)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1837481964 OAMHLRPWUYHUJI-IVZQSRNASA-N 484.517 -0.954 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCC(OC2CCN(C(=O)c3nccnc3C(N)=O)CC2)CC1 1838394480 ADUDDDQOKMGFBF-UHFFFAOYSA-N 496.528 -0.500 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(N(C)C)o3)C2)C1 1840183648 RCPLPGMSOCXCTA-FQEVSTJZSA-N 452.512 -0.816 50 20 JBGD COC(=O)c1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)c(C)c1 1840786087 UWKLSSJRSVPHFD-RUZDIDTESA-N 496.325 -0.155 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)c1ccc(-n3c(O)nnc3O)cc1)C2 1844264656 UTHIOKLQWQHRQM-UHFFFAOYSA-N 478.469 -0.192 50 20 JBGD COc1ccc(S(N)(=O)=O)cc1C(=O)NNC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 17407147 UBRCZCDFPKPASW-UHFFFAOYSA-N 470.529 -0.267 50 20 JBGD CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NNC(=O)c1csc(N2CCOCC2)n1 726277333 MIEJFANMNWBFHT-HNNXBMFYSA-N 453.569 -0.134 50 20 JBGD Cn1nc(SCC(=O)NN=Cc2ccccc2OCC(=O)N2CCCC2)c(=O)n(C)c1=O 730569829 ABTJOYGXAZOYKJ-UHFFFAOYSA-N 460.516 -0.277 50 20 JBGD O=C(Cc1cccnc1)NNC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 731363413 XNLGXOPOHQZMOC-UHFFFAOYSA-N 474.499 -0.298 50 20 JBGD COc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 913375297 YBSARHZGFCPLFB-UHFFFAOYSA-N 475.845 -0.088 50 20 JBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2)c1nc[nH]c1[N+](=O)[O-] 1778059714 YVRYFSGLVQRBQR-FOIQADDNSA-N 457.252 -0.561 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)C[C@@H](N)c3cccnc3)CCO2)C1 1779030917 KBSBXKOMUIRVIB-GCJKJVERSA-N 453.503 -0.386 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)c3cc4cccnc4nc3O)C2)C1 1782264387 MHDDKNFQCBEEPW-QHCPKHFHSA-N 462.271 -0.228 50 20 JBGD CN(CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CNC(=O)O3)[C@H]2C1)NC(=O)NCc1ccccc1 1784580756 HQHASFGLDKMNJF-VJANTYMQSA-N 488.545 -0.579 50 20 JBGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C2)C1 1785609158 QWUXXAIFWDLMQG-CKNLXJGOSA-N 476.958 -0.161 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCNC3=N)[C@H]2C1 1786842527 GCVAKGMVKLWAGD-FNHZYXHNSA-N 488.501 -0.047 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COc3ccc(O)nn3)[C@H]2C1 1790588521 KOXAELRCFXLIFN-RPIBGLMYSA-N 485.501 -0.325 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncn3nc(N4CCOCC4)ccc13)C2)[C@@H](O)CCl 1792977697 ZZLFORHEZAZZLO-KPEUIFRASA-N 478.937 -0.631 50 20 JBGD CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](O)CCl)C1 1792981126 FLZCWQGNZYKTTD-PHPOFCCKSA-N 475.970 -0.206 50 20 JBGD O=C(CCN1C(=O)Cc2ccccc2C1=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2 1793048177 YFIZMJMDNJUMRV-DOHHPOSVSA-N 463.918 -0.209 50 20 JBGD CC(C)(C)c1cnc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)cn1 1795734262 MGKYATKYMRAQBE-CWPLJXCYSA-N 452.320 -0.029 50 20 JBGD COc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)cc1O 1797748321 QCCSCJKYYBGAOG-USGNIVHTSA-N 469.498 -0.155 50 20 JBGD C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN)n1cccc1C=O 1797750824 UYJMYBFOWSAMOH-BKEDOTJMSA-N 454.487 -0.237 50 20 JBGD CCS(=O)(=O)N[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807364430 IGXYJENZXIDJOZ-XFQXTVEOSA-N 488.375 -0.591 50 20 JBGD CNC(=S)NCCC(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1810308574 VKRCHRPBFZGOOG-PXNSSMCTSA-N 469.376 -0.435 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1813074290 SNNHJBLHPZUQDF-IERDGZPVSA-N 482.545 -0.227 50 20 JBGD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1)c1cc(=O)n2[nH]cnc2n1 1817466630 QPMTXGCGGGMNIK-MRXNPFEDSA-N 476.262 -0.560 50 20 JBGD COC[C@@H](Cl)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(=O)n3[nH]nnc3n1)CC2 1825999489 XGWPOLKJTOFZMO-JGVFFNPUSA-N 452.884 -0.251 50 20 JBGD COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)cc1C 1832089541 ZVKCNFAMSFRFQW-RUZDIDTESA-N 482.342 -0.004 50 20 JBGD CN(C)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1833662971 KMWWFOHDLKOLPE-HSZRJFAPSA-N 483.529 -0.470 50 20 JBGD CC(=O)N(C)CCC(=O)NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1833670515 OSIZJNYQGHZXQU-UHFFFAOYSA-N 458.368 -0.580 50 20 JBGD O=C(CCBr)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1834822585 XCGISCGIRBHZOC-GOSISDBHSA-N 455.114 -0.779 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)c1ccccc1)CCO2 1835289921 PNGKIPJAXHIDIF-WMZHIEFXSA-N 469.498 -0.511 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCC(F)(F)C3)C2)C1 1835934574 ZOMDSYGEKLJIGE-OXQOHEQNSA-N 452.263 -0.128 50 20 JBGD Cc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)c(C)n1 1835938137 NBPHPBCEHDDHHD-HSZRJFAPSA-N 453.304 -0.238 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccncc3F)C2)C1 1837457489 DTMGISNRWQRULB-OAQYLSRUSA-N 458.450 -0.397 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(Cl)ncn1)CCO2 1838255172 XBLAHDKDYOLXDC-HXUWFJFHSA-N 460.683 -0.806 50 20 JBGD CC(=O)OC[C@H](OC(C)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](F)Br)CCO2)C1 1839200815 QJAGCIIDIOVHBZ-VBQJREDUSA-N 483.287 -0.372 50 20 JBGD O=C(Cc1cccc(F)c1F)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1839981655 KFEUFIOGCIFKJL-HSZRJFAPSA-N 474.269 -0.043 50 20 JBGD Cc1cc(CC(=O)N2CCOC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)nn1C 1840182334 HMERHZSZBNBZIN-NRFANRHFSA-N 450.540 -0.900 50 20 JBGD CC(C)N1CCC(C(=O)N2CCOC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)CC1 1840182785 UHTMRYQWCGBJAK-QHCPKHFHSA-N 467.611 -0.064 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)OC(C)(C)C)C2)C1 1840185399 PQXQHRYWXNURBQ-NRFANRHFSA-N 471.555 -0.660 50 20 JBGD Cc1cnn([C@@H](C)C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)c1 1840404927 FNWQZGJLILHPHC-AOMKIAJQSA-N 471.518 -0.479 50 20 JBGD C[C@@H](CBr)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 1847493717 CLZBDZJRKCXJIV-AVGNSLFASA-N 481.351 -0.334 50 20 JBGD CCS(=O)(=O)N1CCC[C@@H](C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)C1 728331156 CSMAXEVINCLKSG-CJNGLKHVSA-N 455.489 -0.421 50 20 JBGD COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 769597838 SJROBDZSUUNNJA-UHFFFAOYSA-N 487.498 -0.233 50 20 JBGD CCS(=O)(=O)N[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCC(=O)NN(C)C)C1 1782210447 UCABEYZOZJSAAV-JXXFODFXSA-N 475.612 -0.799 50 20 JBGD O=C(CN1CCS(=O)(=O)CC1)Nc1ccc(C2(NC(=O)c3ccc(B(O)O)cc3)CCC2)cc1 1786689143 VPAMUSHPNPQBNU-UHFFFAOYSA-N 485.371 -0.156 50 20 JBGD CC(=O)N1CCN(CC(=O)N2CC[C@H](CNC(=O)[C@@H](O)CCl)[C@@H]2c2cccnc2)CC1 1803142554 FKTRPPHNMNIYTJ-HBFSDRIKSA-N 451.955 -0.149 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)CNCP(=O)(O)O)[C@H]1c1cccnc1 1807027877 DJPVUPGQYBLGCA-DNVCBOLYSA-N 470.467 -0.815 50 20 JBGD C[C@H](C(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1)N1CCN(C)CC1 1807364648 GONKCCDNWPSLTP-JZWVFAODSA-N 479.390 -0.283 50 20 JBGD C[C@H](CS(C)(=O)=O)C(=O)N[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815335841 TZUNZYYUERLPOX-BXUZGUMPSA-N 465.362 -0.271 50 20 JBGD Cc1cc(C(=O)NCC(=O)N[C@H]2CCc3nc(NC(=O)c4ccc(B(O)O)cc4)sc3C2)no1 1815344108 IHVGAOXAOVSLPZ-AWEZNQCLSA-N 483.315 -0.225 50 20 JBGD C[C@H](C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cnccc1C(=O)NN)CC2)n1cnnn1 1826978843 RHSDOFVEFVOWSB-ZJUUUORDSA-N 456.492 -0.385 50 20 JBGD CC(C)n1nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)cc1C(=O)O 1833604791 IXBLZWKIAULUGQ-KXBFYZLASA-N 458.899 -0.168 50 20 JBGD C[C@@H](Br)C(=O)N1CCC(N2CCC(NC(=O)CN3C(=O)CNC3=O)CC2)CC1 1833679234 RNBVHIRKNMPBNA-GFCCVEGCSA-N 458.357 -0.107 50 20 JBGD CC[S@](=O)CCC(=O)NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1835655705 RUXMESVGKJUZAK-YTTGMZPUSA-N 463.409 -0.290 50 20 JBGD Cc1ncc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)s1 1835939573 AXJDNESDQCLGJP-OAQYLSRUSA-N 459.333 -0.556 50 20 JBGD C[C@@H](Oc1ccccc1)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835939676 XPJKLCSPEKRDHR-KOSHJBKYSA-N 468.315 -0.096 50 20 JBGD O=C(CCCn1ccnc1)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835940021 SZWADCKDEQFWLZ-QFIPXVFZSA-N 456.308 -0.887 50 20 JBGD O=C(Cc1cc(F)ccc1F)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835941128 INATZSJIHQXNPQ-QHCPKHFHSA-N 474.269 -0.043 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc4n(n3)CCCO4)CCO2)C1 1836970578 BVMJBNLNFAXRHR-QFIPXVFZSA-N 485.501 -0.952 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3[nH]nc4ncccc34)C2)C1 1837457951 YCDFSCVMUQTPNQ-QFIPXVFZSA-N 480.485 -0.660 50 20 JBGD C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1)N1CCN(C)CC1 1839105705 ITRAPPDAUNRHED-RLFYNMQTSA-N 465.364 -0.231 50 20 JBGD Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)cc1O 1839266369 XLTVSVKGDBNMBO-HSZRJFAPSA-N 454.288 -0.236 50 20 JBGD Cc1nc(F)ccc1C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840185046 FVAOKGIXVIKKIV-OAQYLSRUSA-N 451.499 -0.028 50 20 JBGD Cc1nn(C)c(C)c1CC(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1840437449 MPLGGAREJYZSLB-QFIPXVFZSA-N 464.567 -0.591 50 20 JBGD O=C1Cc2ccccc2C(=O)N1CCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cccc(B(O)O)c1 1847612391 AHMIZWNDPFQJNV-SFTDATJTSA-N 475.310 -0.203 50 20 JBGD CN(CC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)[C@H]1CCS(=O)(=O)C1 914531761 BSHDXFGMLORRPC-HNNXBMFYSA-N 458.562 -0.649 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@]2(CN(C(=O)C[C@@H]3NC(=O)NC3=O)CCO2)C1 1780095045 CKQLJRYADJHCPE-BTYIYWSLSA-N 489.441 -0.438 50 20 JBGD CC[C@@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)CCO2)C1 1781214732 BQEAFYQDNMQLTC-XCLFUZPHSA-N 466.926 -0.719 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](F)Br)C[C@@H]21)c1cc2n(n1)CCNC2=O 1786261094 CULJCNZPKDVFFX-TXFQPVFDSA-N 458.288 -0.090 50 20 JBGD Cc1ccn2c(=O)c(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)c5ccc(B(O)O)cc5)C[C@@H]43)cnc2c1 1788039905 LNWMGVFCFSVHTI-YYWHXJBOSA-N 490.325 -0.410 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COc1ccc(O)cc1 1792779756 MSPKMXAKVLHDEX-VTEUUUEMSA-N 455.471 -0.327 50 20 JBGD COC(=O)[C@@H]1CC=CC[C@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795740920 PWMKDYKHFIXQHP-QQXMDYFESA-N 456.304 -0.675 50 20 JBGD Cn1cnc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)c1C(F)(F)F 1797750761 PKCARDAVVRLLSA-GNXNZQSNSA-N 481.435 -0.046 50 20 JBGD CCOC(=O)c1ncn2c1CC[C@H](C(=O)N[C@@H]1[C@H]3COC[C@@H]1CN(C(=O)[C@H](O)CCl)C3)C2 1800325248 QTEVKVRGASZIKV-CTTHAOKLSA-N 468.938 -0.189 50 20 JBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncn(-c3cccc(F)c3)n1)C2 1801009571 NYRUODLFWHKSIF-YVWYUNDQSA-N 473.509 -0.017 50 20 JBGD Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)n(-c2cccc(=O)n2C)n1 1801013350 QDBHKRSAOJVRLD-GPVSGQMNSA-N 499.572 -0.544 50 20 JBGD COC[C@H](Cl)C(=O)NC[C@H]1CCN(C(=O)c2cc(=O)n3[nH]nnc3n2)[C@H]1c1cccnc1 1813030085 DIXZDHMVKIQUFB-WWGRRREGSA-N 460.882 -0.219 50 20 JBGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)[C@H](O)N2CCOCC2)[nH]n1)c1cccc(B(O)O)c1 1817476452 SMBYBVHRDGTSLO-PXNSSMCTSA-N 457.296 -0.954 50 20 JBGD NNC(=O)c1ccncc1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CN1C(=O)C=CC1=O)CC2 1819799751 GDBQSHWCPTYHDQ-SNVBAGLBSA-N 469.483 -0.708 50 20 JBGD C[C@H](NC(=O)c1ccccn1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830736977 ZDECISLDAJCLSD-UVFQYZLESA-N 454.911 -0.744 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)C=CC2=O)CC1 1831985272 ZKSODIMIOFWXAX-IBGZPJMESA-N 453.304 -0.475 50 20 JBGD CC(C)N1CCC(C(=O)N2CCO[C@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)CC1 1832416352 ZBSGTACGWVEUKT-QHCPKHFHSA-N 467.611 -0.064 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3ccnn3)C2)C1 1832549446 PMNYNLSEVHMNNF-MGPUTAFESA-N 486.957 -0.133 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3cn[nH]c3)CCO2)C1 1832938675 QZLLQWPPJVECOD-XDEFOSFOSA-N 471.518 -0.067 50 20 JBGD Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)cnc1C 1833295477 HCMVUKNGWYOXTO-QHCPKHFHSA-N 453.304 -0.238 50 20 JBGD O=C(Cc1cnccn1)NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1833371460 ZEMHTCJWRREZNS-UHFFFAOYSA-N 451.336 -0.416 50 20 JBGD Cc1nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)ccc1F 1833462890 QRFBKJKUYFFHCG-JOCHJYFZSA-N 457.267 -0.407 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)c3cc4n(n3)CCCO4)CC2)CC1)c1ccc(B(O)O)cc1 1834798652 VDSPAOMLFHPERQ-UHFFFAOYSA-N 481.362 -0.156 50 20 JBGD CC[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(=O)n4[nH]cnc4n3)CCO2)C1 1835926445 XWWYNYJMYHHXAB-KZULUSFZSA-N 483.323 -0.339 50 20 JBGD COc1ccccc1CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835932257 WSALOWMBMLUJPT-XMMPIXPASA-N 468.315 -0.312 50 20 JBGD O=C(CCBr)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835935426 DVHVYUBEBYPRTA-SFHVURJKSA-N 455.114 -0.779 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(O)nc1)CCO2 1838649260 ZTXDAOUIRNECTK-BHSKHCGUSA-N 470.486 -0.009 50 20 JBGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(N3CCN(C)CC3)CC1)CCO2 1839108805 RHDLQCRLJXZIKV-PXNSSMCTSA-N 458.987 -0.523 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ccc(F)nc3)C2)C1 1840183011 ZHYQUUSZMUMHNS-JOCHJYFZSA-N 465.526 -0.017 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(O)c4ccn(C)c34)C2)C1 1840185124 GDQRECQBEWVMLB-HSZRJFAPSA-N 488.545 -0.278 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc4ncnn4c3)C2)C1 1840185151 KVEQMTUWTQXJGR-JOCHJYFZSA-N 473.534 -0.899 50 20 JBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NCCCN3CCCS3(=O)=O)nc2)CC1 726276553 GZXYIVWQZZTVOD-UHFFFAOYSA-N 475.597 -0.931 50 20 JBGD CC(=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 730568819 CYOWTTQRNAPWFI-UHFFFAOYSA-N 496.571 -0.868 50 20 JBGD O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NNC(=O)[C@@H]1CCS(=O)(=O)C1 732308400 ZMJBFWGORFUFMU-CYBMUJFWSA-N 456.546 -0.132 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)CSc3ncccn3)CCO2)C1 1779031447 SEOJFSYRFHFTJN-FQEVSTJZSA-N 457.516 -0.289 50 20 JBGD CC(=O)Nc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cnccc4C(=O)NN)[C@H]3C2)ccn1 1788610453 SWZYLECLEIPCOH-SNRMKQJTSA-N 481.513 -0.054 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3C[C@H](O)CN3)C[C@@H]21 1789221907 PEVHPSIYIBIQSV-YYVUJICRSA-N 476.486 -0.164 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN1C(=O)c3ccccc3C1=O)C2)c1ccc(B(O)O)cc1 1795732741 FTCAZKNGJZVIQW-FAQVEIGNSA-N 491.309 -0.744 50 20 JBGD CC(=O)Nc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)cc1O 1801013047 RVQKHJQMLRAYIR-VPTLXERWSA-N 461.519 -0.073 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1810301688 CDUDDGPBZUCDEF-LAUBAEHRSA-N 488.313 -0.607 50 20 JBGD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])CC2)c1cccc(B(O)O)c1 1815361201 ZUCVQKKUMYWXEM-NSHDSACASA-N 456.249 -0.006 50 20 JBGD CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1 1817472618 XLSHCEHYRDLFOH-RBUKOAKNSA-N 486.290 -0.110 50 20 JBGD Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)nc1C 1833690173 ZTGQUTXQDZLUBF-QHCPKHFHSA-N 453.304 -0.238 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccnc(Cl)c1)CCO2 1834179396 HQLVCDVGMBTAGL-OAQYLSRUSA-N 459.695 -0.201 50 20 JBGD Cc1noc(N)c1C(=O)N1CCC(N2CCC(NC(=O)c3cccc(B(O)O)c3)CC2)CC1 1834801036 IZDWGCXNXZHQCQ-UHFFFAOYSA-N 455.324 -0.256 50 20 JBGD O=C(CNc1ccc(F)cc1)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1835584584 ORMLKZIDICTOGF-HSZRJFAPSA-N 471.294 -0.312 50 20 JBGD CC(C)c1nc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)no1 1835927889 ZTIGGJHKILGENL-JOCHJYFZSA-N 472.307 -0.815 50 20 JBGD Cn1ncc2cc(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)c3ccc(B(O)O)cc3)CCO4)ccc21 1835930613 PQKQZRWZBLCZNV-XMMPIXPASA-N 478.314 -0.363 50 20 JBGD Cc1ccc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)cn1 1835935046 CXIIQWWWFWXZEH-XMMPIXPASA-N 467.331 -0.227 50 20 JBGD Cc1noc(C)c1CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835935197 GRQOYFMYYGKYNT-HSZRJFAPSA-N 471.319 -0.326 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)C3(C(F)(F)F)CC3)C2)C1 1835937434 WGJPGLTVDUKOTN-SFHVURJKSA-N 456.226 -0.221 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc3[nH]ccc3n1)CCO2 1836904095 QQANGMYGCWOJLS-HSZRJFAPSA-N 464.287 -0.374 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(Cl)cn1)CCO2 1837894698 ZLRNKICVOKCKRW-OAQYLSRUSA-N 459.695 -0.201 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccn(C(F)F)n1)CCO2 1838033296 IQYAMQHWRUVYSW-HXUWFJFHSA-N 464.234 -0.658 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@]2(COCCN(C(=O)C(=O)N(C)C)C2)C1 1838528335 RMXIVRQVHIAPNA-OAQYLSRUSA-N 478.458 -0.322 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)C3CCC4(CC3)OCCO4)C2)C1 1840186074 ZBYMRTNKUPVWPG-QFIPXVFZSA-N 482.578 -0.251 50 20 JBGD O=C(CCCn1ccnc1)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1840382760 XAAQOFGVTYTZCX-JOCHJYFZSA-N 456.308 -0.887 50 20 JBGD C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1)c1ccccn1 1840501834 NHBZSBJSYPPJNW-SBUREZEXSA-N 453.304 -0.365 50 20 JBGD C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1)c1ccccn1 1840501836 NHBZSBJSYPPJNW-UZUQRXQVSA-N 453.304 -0.365 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1 1840915567 NWQDVEWUIYITIO-CFZJUORYSA-N 480.921 -0.254 50 20 JBGD CCn1cnc2c1c(=O)n(CC(=O)NNC(=O)c1c[nH]nc1C)c(=O)n2Cc1ccccc1 920444292 DDHRRXOTUURHDW-UHFFFAOYSA-N 450.459 -0.079 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cn1ccncc1=O)C2 1778092569 ITGSAMSTXYKRAP-SJUPTTPXSA-N 483.529 -0.109 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1779032301 NAPZCGMOGPSBEG-HSZRJFAPSA-N 455.515 -0.173 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3Cc4ccccc4O3)C[C@@H]21)c1cccc(B(O)O)c1 1786983009 KPXQMUGSHFYJCE-UDDWMFPDSA-N 450.300 -0.037 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(CO)on3)C[C@@H]21 1787508219 AFDGYMIBBQNZLU-IMFBWOCLSA-N 458.475 -0.106 50 20 JBGD CN(C)c1cccc(OCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)c1 1793857439 YXCVGOMNOYAMME-FEJSZKPUSA-N 467.331 -0.285 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1cnc(-c2ccccn2)nc1 1794258014 FDIVDGMFNJFQJS-RMFSNUHRSA-N 473.298 -0.265 50 20 JBGD COc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)cc1NC(C)=O 1795740223 GJSYYGZZGBHJMD-OPMZPASUSA-N 481.314 -0.150 50 20 JBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(-n3cncn3)c1)C2 1797753899 KQECMIMVDXPEFA-CWPLJXCYSA-N 476.497 -0.217 50 20 JBGD O=C(CN1CCOC1=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1803335723 XQJOCJLKSINDIL-PXNSSMCTSA-N 452.276 -0.467 50 20 JBGD O=C(C(O)O)N1CCO[C@@]2(COCCN(C(=O)[C@H](Br)Cc3ccccc3)C2)C1 1830404790 SGQRNQYSBQLCHP-DNVCBOLYSA-N 457.321 -0.240 50 20 JBGD Cc1nc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)c(C)s1 1833149148 YSSSVHCCCNQFEB-JOCHJYFZSA-N 473.360 -0.248 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)c1cnn(-c3cccnc3)c1)CCO2 1833619853 IWRVBISHMSKZTQ-XMMPIXPASA-N 491.313 -0.669 50 20 JBGD O=C(Cc1ccc(F)c(F)c1)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1835138633 WVXAHXSFQPKTEZ-QHCPKHFHSA-N 474.269 -0.043 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](N)c1ccccn1)CCO2 1835700941 XDNOACMRVGVRGC-RPRPLSGUSA-N 483.529 -0.328 50 20 JBGD O=C(c1cnc2snnc2c1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835930939 APFXXPUOEGLHRZ-NRFANRHFSA-N 483.315 -0.850 50 20 JBGD O=C(c1n[nH]c2c1CS(=O)(=O)C2)N1CCO[C@@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1836259129 CSMROJVVGLJWGK-INIZCTEOSA-N 467.331 -0.288 50 20 JBGD O=C1NCCCn2nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)[C@@H](F)Br)C4)C3)cc21 1836781611 UKMJCVBSQOXTKH-KDOFPFPSSA-N 488.314 -0.223 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc4ncnn4c3)C2)C1 1837459556 JZBXFPGZCUDLKG-QHCPKHFHSA-N 494.512 -0.960 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1c(F)cncc1F)CCO2 1838165828 XBHONARZSFYDQF-OAQYLSRUSA-N 476.440 -0.258 50 20 JBGD Cc1nccn1CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1840387111 QDVKCZWPEIDZOU-HSZRJFAPSA-N 470.335 -0.578 50 20 JBGD NS(=O)(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NNC(=O)c3cccnc3)CC2)cc1 732911125 OZOPJVSGTYFDSG-UHFFFAOYSA-N 467.529 -0.409 50 20 JBGD Cc1nc([N+](=O)[O-])cn1CCC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 921056508 UKZWGEVLNWWJEP-UHFFFAOYSA-N 466.476 -0.028 50 20 JBGD CC(=O)N[C@H](C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1)C(C)(C)C 1779028666 HIZRHYHYMGNNQP-VGOFRKELSA-N 460.535 -0.321 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H]1CCc3nc[nH]c3C1)CCO2 1779034148 OIDHYOKZRURLSY-RCDICMHDSA-N 453.503 -0.343 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H]2CNC(=O)C2)C1 1781778728 VIPJXLQSWVOPFI-CHERFMFFSA-N 458.519 -0.230 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(=O)c1cccnc1 1793957789 HSLRPNOEDQSCBK-VYKSVWDLSA-N 481.513 -0.465 50 20 JBGD COc1ccc(F)cc1CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795741006 WCUZRIASSLWWHI-FAQVEIGNSA-N 456.279 -0.040 50 20 JBGD CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1 1796189560 CMRPBQMFYSVXGX-XMTFNYHQSA-N 461.324 -0.496 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(B(O)O)c1)C2 1804434259 PAFCPIKXPHQNSS-MHORFTMASA-N 488.350 -0.613 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H](CNC(=O)CN(CCO)CCO)[C@H]1c1cccnc1 1812713987 HXWXAILUWZKJGM-ZFUWBFJQSA-N 499.572 -0.492 50 20 JBGD CCc1nn(C)c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)c1Cl 1833593515 PZHQJAJBEMXCKS-QFIPXVFZSA-N 490.753 -0.301 50 20 JBGD Cc1nn(C)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)c1F 1833709063 OUZWCQWAIVKWQJ-HXUWFJFHSA-N 454.503 -0.689 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(O)n[nH]1)CCO2 1835854179 YPXCLFNPPYCXMK-CCULFSDZSA-N 459.463 -0.681 50 20 JBGD O=C(CSc1ccncc1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835927217 MLLCSIGKBAMHHK-JOCHJYFZSA-N 471.344 -0.376 50 20 JBGD Cc1nc(N)sc1C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835928020 AORCRUOZWVOJBH-FQEVSTJZSA-N 460.321 -0.903 50 20 JBGD Cc1ccc(O)c(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)c1 1835931635 UOYMMAUSRIMZRO-HSZRJFAPSA-N 454.288 -0.236 50 20 JBGD O=C(CCc1cnc2[nH]ccc2c1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835931862 FACWOWRYLFNRJU-RUZDIDTESA-N 492.341 -0.055 50 20 JBGD CN(C)C(=O)c1cccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)c1 1835933655 FTWSJZSQXMLAGJ-VWLOTQADSA-N 495.341 -0.548 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnn3cccnc13)CCO2 1836848214 MTVIFYBMIRCTLD-JOCHJYFZSA-N 480.485 -0.888 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc4cccnc4[nH]3)CCO2)C1 1837008154 QRVLRZYJCRMACQ-QHCPKHFHSA-N 479.497 -0.055 50 20 JBGD CCOC(=O)N[C@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCBr)C2)C1 1837205322 WHPWXGBMNXVFES-CZUORRHYSA-N 452.302 -0.708 50 20 JBGD COc1cnc(C(=O)N2CCOC[C@]3(CN(C(=O)c4cnccc4C(=O)NN)CCO3)C2)c(F)c1 1837456990 RUDDQPAHOYATCS-QFIPXVFZSA-N 488.476 -0.388 50 20 JBGD CN(C)c1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)cn1 1838193279 XHDNNUNHZGMLDR-HSZRJFAPSA-N 468.319 -0.789 50 20 JBGD Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)c(C)n1 1838359545 KPSQWQPAFGCPLX-HSZRJFAPSA-N 453.304 -0.238 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc3ccnn3c1)CCO2 1839569737 XFRALIDHDWMHAF-QHCPKHFHSA-N 464.287 -0.602 50 20 JBGD CC(C)N1CCC[C@H]1C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840184746 DQSMSWBHIRKJTG-PGRDOPGGSA-N 453.584 -0.311 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)/C=C/C(=O)NCc1ccco1)C2 1844264678 WIVWPHOHNCCRAU-SNAWJCMRSA-N 452.471 -0.032 50 20 JBGD COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)NNC(=O)CNC(=O)c2ccco2)c1OC 751211902 MMWGTWZGYWQMJL-UHFFFAOYSA-N 496.498 -0.491 50 20 JBGD NC(=O)CC[C@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)NNC(=O)c1ccccc1 769750621 CZGHNPGYMLNLTH-HNNXBMFYSA-N 462.484 -0.169 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C(=O)Nc1cccnc1)C2 1779372289 DRMARCHKVBNSRT-WZONZLPQSA-N 481.513 -0.154 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21)c1ccc(-n2c(O)nnc2O)cc1 1789272751 ZHKSAAAOUXWRGX-TUUVXOQKSA-N 465.894 -0.129 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]c3ccc(F)cc13)C2)c1ccc(B(O)O)cc1 1795734220 JYZHKJVPJQYWAQ-HBCWATKFSA-N 452.251 -0.101 50 20 JBGD CC(C)(C)OC(=O)N1CC[C@H](O)[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](O)CCl)C3)C1 1797119410 FWXYTRCVZSYYCZ-DBWAAGBOSA-N 475.970 -0.206 50 20 JBGD C[C@@H](Oc1cccnc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797754429 WYHRCILSPDPHNV-BKEDOTJMSA-N 454.487 -0.249 50 20 JBGD COc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)c(OC)c1 1798821848 QCOVPBRPANHIIF-VPTLXERWSA-N 454.288 -0.099 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCC2(CCCN(C(=O)CN3C(=O)CNC3=O)C2)CC1 1806585971 IAFLMDGRFCYULD-UHFFFAOYSA-N 457.491 -0.918 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1813074294 SNNHJBLHPZUQDF-KKSFZXQISA-N 482.545 -0.227 50 20 JBGD O=C(N[C@H]1CCc2nc(NC(=O)[C@H]3CCCS3(=O)=O)sc2C1)c1ccc(B(O)O)cc1 1824929075 VOEBLWBZOWKDBX-XJKSGUPXSA-N 463.346 -0.374 50 20 JBGD C[C@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@@H]3NC(=O)NC3=O)C2)C1 1830535252 KXEKQLILVVXIRW-BWACUDIHSA-N 461.313 -0.928 50 20 JBGD CC(C)[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)CN(C)NC(=O)NCc3ccccc3)C2)C1 1830872199 URXVHYKBICRPQY-URXFXBBRSA-N 491.589 -0.194 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)c1cnnc(Cl)c1)CCO2 1833206671 DVCMJJBQDHVUAZ-HXUWFJFHSA-N 460.683 -0.806 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)CCc3ccc(O)nn3)CC2)CC1)c1ccc(B(O)O)cc1 1834798808 AIPGGUDITZHIRH-UHFFFAOYSA-N 481.362 -0.320 50 20 JBGD C[C@H](Cn1cncn1)C(=O)N1CCC(N2CCC(NC(=O)c3cccc(B(O)O)c3)CC2)CC1 1834801004 GEDBGAXEZPIXBV-QGZVFWFLSA-N 468.367 -0.521 50 20 JBGD O=C(Cc1ccc(F)cc1)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1835049219 ZTEUPKWYLKWJKE-QHCPKHFHSA-N 456.279 -0.182 50 20 JBGD CC(C)(C)n1cc(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)nn1 1835930919 ACWLKDFFQUYRPA-QFIPXVFZSA-N 471.323 -0.903 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)c3cccc(F)c3[N+](=O)[O-])C2)C1 1835931755 BSZWNCLSHMYSQF-QFIPXVFZSA-N 487.249 -0.203 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1)c1ccnc2c1OCO2 1836092720 KKJACYDRWXRRFP-UHFFFAOYSA-N 480.330 -0.011 50 20 JBGD CCc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)n[nH]1 1836279657 LAAWKKLJXWUDGC-NRFANRHFSA-N 457.491 -0.646 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ccc(F)nc3)C2)C1 1837456150 CXGFORPOEXZHMM-QHCPKHFHSA-N 486.504 -0.078 50 20 JBGD CCOC(=O)N[C@H](O)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1837919094 CYXFXGBJLFOCII-LJQANCHMSA-N 477.323 -0.957 50 20 JBGD CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@H](C(=O)N2CCCC23CN(C(=O)c2cccc(B(O)O)c2)C3)C1 1843823136 MTEYJOBPJXIIQA-RBUKOAKNSA-N 487.362 -0.199 50 20 JBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)c3cc(S(=O)(=O)N(C)C)c[nH]3)cc2)CC1 728213980 KHNGPMHDPQSSNG-UHFFFAOYSA-N 470.577 -0.042 50 20 JBGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)NCCCN1CCOC1=O 728397866 RWPUANSWWUJDEL-UHFFFAOYSA-N 483.547 -0.187 50 20 JBGD COCCOCCOCCOCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](Cl)COC)C2)C1 1783879518 WFGYIBREQCASSJ-XLIONFOSSA-N 466.959 -0.234 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](CCN)NC(=O)OC(C)(C)C)CCO2 1783933991 QQUJTWNQUINBMQ-OPAMFIHVSA-N 484.598 -0.569 50 20 JBGD COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CCO[C@@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783938085 SPOXQDNDXRZZDR-GSHUGGBRSA-N 450.536 -0.055 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3C(=O)CSC3=S)C[C@@H]21 1788611319 SZQCIVXVHOEJHW-CQDKDKBSSA-N 492.583 -0.861 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)[C@H]1CCc2ccccc2[C@H]1O 1793036640 YYKULCIBSSPDNA-HYEPPUOFSA-N 464.327 -0.134 50 20 JBGD Cn1c(=O)c2c(ncn2CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C(Cl)Cl)C3)n(C)c1=O 1794251593 MSLRQQIFMWPPRY-JGPRNRPPSA-N 457.318 -0.124 50 20 JBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2c(c1)NC(=O)CO2 1797451020 JRKZMPACZJDGGT-USGNIVHTSA-N 459.503 -0.406 50 20 JBGD O=C(NC[C@@H]1CCN(C(=O)COc2cccnn2)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807367217 JYSPYFLWTLXCEK-PGRDOPGGSA-N 461.287 -0.050 50 20 JBGD CN1C(=O)CC[C@H]1C(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807373103 NAHZUDQZZSOFRC-LMNJBCLMSA-N 450.304 -0.298 50 20 JBGD CC[C@H](NC(N)=O)C(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1808228408 CZHKRUPYXVIFBC-WDSOQIARSA-N 453.308 -0.472 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1813075223 YGNNFTAHCQPTFD-VGOFRKELSA-N 461.567 -0.167 50 20 JBGD Cc1c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)cn2[nH]cnc(=O)c12 1830730637 BSCCVIWXFAUQJJ-IFXJQAMLSA-N 453.883 -0.999 50 20 JBGD COCCOCCOCCOCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830734044 ZSLUMBWEYQGCJY-GHTZIAJQSA-N 496.985 -0.871 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(O)n[nH]1)CCO2 1835854178 YPXCLFNPPYCXMK-BOURKTIISA-N 459.463 -0.681 50 20 JBGD O=C(Cc1cccc(Cl)n1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835927107 GFEFKDKLGAJHDB-JOCHJYFZSA-N 473.722 -0.273 50 20 JBGD C[C@H](Cc1ccncc1)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835932322 ZJSXBIDFZSGRDN-HOYKHHGWSA-N 467.331 -0.290 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnc3[nH]ncc3c1)CCO2 1836815444 NTIFUJMMTNROSW-OAQYLSRUSA-N 459.507 -0.599 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4nncn4c3)C2)C1 1837458997 HARYHDXALBQPNW-QFIPXVFZSA-N 480.485 -0.888 50 20 JBGD CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)C1 1839108105 BIWVXXZEMGVJKP-JXSLOMFPSA-N 491.969 -0.730 50 20 JBGD CC(=O)OC[C@H](OC(C)=O)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](F)Br)CCO2)C1 1839200813 QJAGCIIDIOVHBZ-JJRVBVJISA-N 483.287 -0.372 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1c(F)ccc(O)c1F)CCO2 1839411095 VDOIZGMLMPGHRW-JOCHJYFZSA-N 476.241 -0.266 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)CCO2 1839413691 OFQHJTWITSUOKA-QFIPXVFZSA-N 485.258 -0.636 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc3nn[nH]c3c1)CCO2 1839630925 YZGGSYGOJQABJY-NRFANRHFSA-N 459.507 -0.599 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc3nn[nH]c3c1)CCO2 1839630926 YZGGSYGOJQABJY-OAQYLSRUSA-N 459.507 -0.599 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCCS1(=O)=O)CCO2 1839781782 FCWQMAQKDBQPJO-CVMHLPAOSA-N 495.558 -0.846 50 20 JBGD CC[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3C(=O)C=CC3=O)C2)C1 1839966909 UBOMVIKGVKTRLQ-ACJLOTCBSA-N 458.309 -0.459 50 20 JBGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)N3CCN(C)CC3)C2)C1 1840034785 XJTMGBICBHQBOK-BXWFABGCSA-N 461.401 -0.138 50 20 JBGD O=C(Cc1ccc(S(=O)(=O)N2CCCCC2)s1)NNC(=O)N[C@H]1CCS(=O)(=O)C1 919883208 BJULBSLKOGJTIJ-LBPRGKRZSA-N 464.591 -0.017 50 20 JBGD COCCOc1cc2c(cc1C=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O)OCO2 920752339 ZYFMSAQEFLTNDY-UHFFFAOYSA-N 451.461 -0.525 50 20 JBGD Cc1cc2nnc(C(=O)N3CCO[C@]4(CCN(C(=O)c5cnccc5C(=O)NN)C4)C3)c(C)n2n1 1779030255 MIOQMXRSTVUVLW-QFIPXVFZSA-N 479.501 -0.503 50 20 JBGD Cc1cc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)nc2nccn12 1779037092 NPGUUDHQMWFJOI-JOCHJYFZSA-N 464.486 -0.206 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CC[C@H]4CCC(=O)N4C3)C[C@@H]21 1788609999 KXDQDCVRXYDWNF-MWTROVGWSA-N 484.557 -0.321 50 20 JBGD C[C@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(=O)n3[nH]cnc3n1)C2 1792868333 WIAXDGZQNMXYMN-NJBDSQKTSA-N 453.297 -0.348 50 20 JBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1c(=O)n(C)c2ccccc21 1797173055 XEPAIQWZXYGLGE-MFKICJERSA-N 472.546 -0.697 50 20 JBGD COC(=O)c1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)cc1 1801142110 YKSVHUSDEIBLCZ-HATOLVCRSA-N 466.299 -0.401 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H](O)N2CCOCC2)CC1 1831873200 CZULFINRZXJABY-PGRDOPGGSA-N 453.584 -0.370 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCC(N2CCC(NC(=O)CN3CCOC3=O)CC2)CC1 1833387255 DCXXCROPRUTLNK-UHFFFAOYSA-N 452.556 -0.617 50 20 JBGD COc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C(C)=N/NC(=O)c4ccc[nH]4)C3)C2)n(C)n1 1833442297 FSXLPLWUWKIMRR-NMWDDECMSA-N 487.517 -0.367 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnccn1)CCO2 1833973611 FEBQDFMTYZZFKT-JAMLUQCHSA-N 455.475 -0.319 50 20 JBGD CNC(=S)NCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCBr)CCO2 1834823032 FKADFPWYZWIGCP-MRXNPFEDSA-N 451.387 -0.288 50 20 JBGD N=C(N)NCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](Br)Cc3ccccc3)C2)C1 1835578424 VYIFYRJTIMAMQK-UZLBHIALSA-N 482.379 -0.068 50 20 JBGD O=C(c1ccc(-n2cccn2)nc1)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835938322 RYMLHEAACLZOMO-DEOSSOPVSA-N 491.313 -0.669 50 20 JBGD C[C@@H](Oc1ccccc1)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835939674 XPJKLCSPEKRDHR-HOYKHHGWSA-N 468.315 -0.096 50 20 JBGD CC(=O)O[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1)C(C)C 1837216340 ASEWQGIOTUCDTD-SIKLNZKXSA-N 462.308 -0.976 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)c3ccco3)C2)C1 1837456118 IZQCNHZRZRYCHV-LAUBAEHRSA-N 459.459 -0.918 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4cccnn4c3)C2)C1 1837459704 MKYPVFVKVKWTKZ-HSZRJFAPSA-N 479.497 -0.283 50 20 JBGD CN1CCN(CCC(=O)N2CCC(OC3CCN(C(=O)CCC(=O)NN(C)C)CC3)CC2)CC1 1837807532 RQDIPFMTLSSLDA-UHFFFAOYSA-N 480.654 -0.005 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(O)cc1F)CCO2 1839315925 SJMFWQISQIBABG-QFIPXVFZSA-N 458.251 -0.405 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(CN(C(=O)c3cc4ncccc4[nH]3)CCO2)C1 1839492317 GRNOSBGKFJWXIZ-HSZRJFAPSA-N 479.497 -0.055 50 20 JBGD CCNC(=S)NCC(=O)N1CCO[C@]2(COCCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C2)C1 1839654340 LXCZRECKQWCPPD-JAMLUQCHSA-N 493.590 -0.939 50 20 JBGD CCNC(=S)NCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1839655081 DCLVSNJJRKTXCL-WFASDCNBSA-N 455.350 -0.383 50 20 JBGD CC[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CC(=O)NC3=O)C2)C1 1839962882 UGDGMYMRZDDRNF-SJCJKPOMSA-N 461.313 -0.832 50 20 JBGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1 1840035573 WGUNAEPYVHZIBB-SCLBCKFNSA-N 487.307 -0.004 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCc4sccc4C3)C2)C1 1840182725 QYZZORMTEWEAAV-QHCPKHFHSA-N 493.630 -0.064 50 20 JBGD COc1cc(N2C[C@H](C(=O)NNC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2=O)cc(OC)c1OC 919888728 GLPCULHPUXUXIK-VXGBXAGGSA-N 470.504 -0.417 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)c3ccc4c(n3)OCCO4)CCO2)C1 1779030466 QSYSMHKTFDBHBU-QFIPXVFZSA-N 468.470 -0.391 50 20 JBGD COC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783934233 CSWNFQJUCAZIOY-KSFYIVLOSA-N 485.582 -0.271 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)[C@H]1COc2ccccc2O1 1785038834 PHGGNSIHTRTJFL-KCOOCBJMSA-N 466.299 -0.200 50 20 JBGD C[C@H](Nc1cccnc1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786984518 OKQUOIBNWQHSQM-OQRYQMPQSA-N 452.320 -0.145 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1ccc([N+](=O)[O-])c2c1OCO2 1789288270 UDOUJGKZYSTRHN-FNHZYXHNSA-N 497.269 -0.090 50 20 JBGD CCOc1cnc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)cn1 1797749607 HHGWDGFNYXNSPX-IVWMJMPLSA-N 455.475 -0.609 50 20 JBGD CN(CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1=NNC(=O)C1)NC(=O)NCc1ccccc1 1798375060 OZCKQGRHBKHSBV-BJWYYQGGSA-N 455.519 -0.153 50 20 JBGD O=C(NC[C@@H]1CCN(C(=O)COc2ccc(O)nn2)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807367123 QGDGULWIZYGOJI-HTAPYJJXSA-N 477.286 -0.344 50 20 JBGD O=C(Cn1ccncc1=O)N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815360150 PINIPWFQSSLGSH-AWEZNQCLSA-N 453.289 -0.694 50 20 JBGD C[C@H](NC(=O)c1cnccn1)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1820020705 YCONTQKLYSGXIK-WFASDCNBSA-N 494.342 -0.343 50 20 JBGD NC(=O)NCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCN2C(=O)OCc1ccccc1 1828551814 UZQGNIHZNVWWLC-KKSFZXQISA-N 481.937 -0.294 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)c3n[nH]c4c3CS(=O)(=O)C4)CC2)CC1)[C@H](O)CCl 1833310687 PQWFAPBPNVGBIV-MRXNPFEDSA-N 473.983 -0.377 50 20 JBGD CCC(=O)N[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1833421240 FBGMWHWCWZAUKZ-INIZCTEOSA-N 458.368 -0.534 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(=O)cco1)CCO2 1834603819 QGPDLTPJSDFGLP-VCOZGABYSA-N 471.470 -0.156 50 20 JBGD C[C@H](Oc1cccnc1)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835939700 FFVMKRLHCJNXTR-GAJHUEQPSA-N 469.303 -0.701 50 20 JBGD CC[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCN(C)CC3)CCO2)C1 1836676649 MWUFQEXLZPWZBS-LPHOPBHVSA-N 461.401 -0.136 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837444370 ZYKYVORQYIRERD-WUKOTQDVSA-N 473.534 -0.773 50 20 JBGD CCN(CC)C[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1839676667 SJXQNUULNXAKNZ-JPYJTQIMSA-N 461.368 -0.586 50 20 JBGD C[C@H](Nc1ccccn1)C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840184906 CBCPGAWEUJJLSH-JTSKRJEESA-N 462.551 -0.289 50 20 JBGD C[C@@H](Oc1cccnc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1840454714 QGHQIZWVCFZIOX-VGOFRKELSA-N 463.535 -0.322 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CCCC12CN(C(=O)CN(CCO)CCO)C2 1841925229 AXAFMMLJBFAMNG-HNNXBMFYSA-N 462.975 -0.392 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CCCC12CN(C(=O)[C@@H](O)N1CCOCC1)C2 1844692920 ZSRCNWBBNXTQSR-LJQANCHMSA-N 462.459 -0.012 50 20 JBGD CN(CC(=O)N1CCCC12CN(C(=O)c1nccnc1C(N)=O)C2)NC(=O)NCc1ccccc1 1845039244 VYCOJHTXQSFIMW-UHFFFAOYSA-N 480.529 -0.261 50 20 JBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)CNC(=O)c1ccccc1I 729275505 OUQQHEGQWANAAK-QMMMGPOBSA-N 468.273 -0.894 50 20 JBGD CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NNC(=O)CNC(=O)c3ccco3)c2)CC1 751207442 XRCMMJXEPPOGGE-UHFFFAOYSA-N 477.499 -0.677 50 20 JBGD CC(=O)c1cccc(S(=O)(=O)NCC(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)c1 784669435 HVRAKWLQAAULOV-GOSISDBHSA-N 491.478 -0.302 50 20 JBGD CCCNC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21 1784375995 LHAINGIPAYSBNA-WBAXXEDZSA-N 460.535 -0.415 50 20 JBGD CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1784817796 JHKCQHJYOVHUCX-FFGOWVMKSA-N 487.362 -0.031 50 20 JBGD C[C@@H](Cn1cccn1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1 1788611645 OFQJWTKWXJJHOS-LNMJFAINSA-N 455.519 -0.189 50 20 JBGD C[C@@H](NC=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN(C)NC(=O)NCc3ccccc3)C[C@@H]21 1789881605 UKCLQECNIZFIEX-GTAWCEEGSA-N 474.562 -0.553 50 20 JBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCS(=O)(=O)c1ccccc1 1795301427 CAHYPHPSRFQRKI-FAQVEIGNSA-N 480.587 -0.187 50 20 JBGD COCCOCCOCCOCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCC(=O)NN(C)C 1802339956 UVOYRGCVJSTVPC-REPLKXPHSA-N 472.583 -0.306 50 20 JBGD C[C@H](C(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)[C@@H]1SC(=N)NC1=O 1808395682 OQAHBJZGIDWIDE-IVJVFBROSA-N 495.370 -0.117 50 20 JBGD CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CC[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1813074037 NWKSPYXMUMHNJS-NOXFTYBFSA-N 498.588 -0.069 50 20 JBGD C[C@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CC(=O)NC3=O)C2)C1 1830535829 UCBGQESCLCXACN-PXAZEXFGSA-N 461.313 -0.974 50 20 JBGD O=C(/C=C/C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2)NCc1ccccc1 1830719616 GUTRKYCKAKFSFG-AVEGBXRASA-N 465.934 -0.085 50 20 JBGD C[C@@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)CCN3C(=O)C=CC3=O)CCO2)C1 1832015709 WJYARWCMJNUVGU-IFXJQAMLSA-N 472.336 -0.211 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)c1nc(Cl)ccc1F)CCO2 1833243804 ZKOYRGUYAAQVJI-NRFANRHFSA-N 477.685 -0.062 50 20 JBGD Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)cn1 1833996624 ZGFBMQTZECPSQI-JOCHJYFZSA-N 454.487 -0.228 50 20 JBGD CC(=O)c1cc(C(=O)NC2CCN(C3CCN(C(=O)c4ccc(B(O)O)cc4)CC3)CC2)n[nH]1 1834067379 ZKJCXMUELARLPB-UHFFFAOYSA-N 467.335 -0.209 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(O)cn3)CCO2)C1 1834587309 HKUIICGQODVNPR-OAQYLSRUSA-N 456.459 -0.831 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)CCc3cncnc3)CC2)CC1)c1cccc(B(O)O)c1 1834800985 FWICSKAOLVAXBP-UHFFFAOYSA-N 465.363 -0.026 50 20 JBGD O=C(CCBr)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4c3CS(=O)(=O)C4)C2)C1 1834822613 XWCVQFUNYBIXHW-KRWDZBQOSA-N 491.364 -0.307 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCC(N2CCC(NC(=O)c3cc(O)nc(O)c3)CC2)CC1 1834987293 KNUQZXBAWMZNKK-UHFFFAOYSA-N 483.529 -0.010 50 20 JBGD O=C(CS[C@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835930208 BWPGWEDJJPFZQI-UNMCSNQZSA-N 478.376 -0.304 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])cc3F)C2)C1 1835939269 JLUYMAJMBAXBJI-QFIPXVFZSA-N 487.249 -0.203 50 20 JBGD Cc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)cc1[N+](=O)[O-] 1835939297 LFZOUUHVZJSVRT-XMMPIXPASA-N 497.313 -0.104 50 20 JBGD CN1CCN(C2(C(=O)NC3CCN(C4CCN(C(=O)c5ccc(B(O)O)cc5)CC4)CC3)CC2)CC1 1836376914 DZWBIGRCZVYDMQ-UHFFFAOYSA-N 497.449 -0.668 50 20 JBGD CN(C)c1ccncc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837456503 JEIDBQWBVTWYOH-QHCPKHFHSA-N 483.529 -0.470 50 20 JBGD Cc1nccnc1C(=O)N1CCOC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837459473 RCFXFMJLFQEGSQ-NRFANRHFSA-N 455.475 -0.833 50 20 JBGD O=C(CN1CCCC1=O)N1CCC(OC2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1837807803 PIAUUBQBFVSGRQ-UHFFFAOYSA-N 457.336 -0.399 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cnc4ccccn34)C2)C1 1840182662 PKHRFQDSXNYMBX-QHCPKHFHSA-N 472.546 -0.294 50 20 JBGD COc1ccccc1OCC(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840183364 ZMGWVPWSBFWXFN-HSZRJFAPSA-N 478.546 -0.097 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4n(n3)CCCC4)C2)C1 1840184624 YEDSJURKIMGMEF-QFIPXVFZSA-N 462.551 -0.338 50 20 JBGD O=C(Cc1cc(F)ccc1F)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1840809965 HCVXNEBBCCVCRC-QHCPKHFHSA-N 474.269 -0.043 50 20 JBGD COc1ccccc1C(=O)N1CC(C(=O)N2CCCC23CN(C(=O)c2ccc(B(O)O)cc2)C3)C1 1841248322 KEBMVIFQRTULAZ-UHFFFAOYSA-N 477.326 -0.036 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CC2(CCCN2C(=O)CN(CCO)CCO)C1 1846034108 BVWZLLGSKPQWIH-UHFFFAOYSA-N 464.475 -0.376 50 20 JBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)CCOc2ccc(S(N)(=O)=O)cc2)c1 726378978 APNZTEHRCOSMSE-UHFFFAOYSA-N 470.529 -0.186 50 20 JBGD CCn1cnc2c1c(=O)n(CC(=O)NNC(=O)CNC(C)(C)C)c(=O)n2Cc1ccccc1 1338087503 DIQNLEYIXJUSGL-UHFFFAOYSA-N 455.519 -0.037 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)c3cccn(C(F)F)c3=O)C2)C1 1779357197 GUTMKLHUXXUHLA-OAQYLSRUSA-N 461.230 -0.320 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1nc3ncccn3n1)C2 1779372691 XJWBQEJNYDTKIS-OPAMFIHVSA-N 479.501 -0.436 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(-n4c(O)nnc4O)cc3)C[C@@H]21)[C@H](O)CCl 1784091570 XWPLHYWVSDUAAQ-HNKHHVNMSA-N 465.894 -0.129 50 20 JBGD COc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cnccc4C(=O)NN)C[C@@H]32)nn1C 1789401077 ZNPJEUTYUYKDNY-NUTKFTJISA-N 457.491 -0.666 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCc3cnccn3)[C@H]2C1 1791661329 VIZPFDVMKXNCCZ-JVPBZIDWSA-N 453.503 -0.299 50 20 JBGD CC(C)(C)OC(=O)N1C[C@]2(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)[C@H](O)CCl)C[C@H]1CO2 1792979119 VUTKMLAOWVCKAD-OLKYVISVSA-N 473.954 -0.046 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=O)c1cccs1)C2)c1cccc(B(O)O)c1 1795737372 XEPPOWRSCFSFSP-CCWDJLKJSA-N 457.317 -0.939 50 20 JBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(CO)c(F)c1)C2 1797753979 GYYNGODNURJXQN-CCWDJLKJSA-N 457.462 -0.167 50 20 JBGD CC[C@H](NC(C)=O)C(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1802543829 GJRHQUNOUBMSAM-SESVDKBCSA-N 452.320 -0.004 50 20 JBGD CCS(=O)(=O)N[C@H](C)C(=O)N1CC[C@H](CNC(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1 1813068348 LFCYITZRCHNUPG-WRWLIDTKSA-N 482.607 -0.212 50 20 JBGD CN(C)NC(=O)CCC(=O)N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815361777 ROWDMSIOAULFKK-AWEZNQCLSA-N 459.337 -0.578 50 20 JBGD COC[C@H](NC(C)=O)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCC(=O)NN(C)C)n[nH]1 1822414413 FEPSFWDADTZGBX-JKSUJKDBSA-N 451.528 -0.074 50 20 JBGD O=C(CCN1C(=O)C=CC1=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827055516 ASUFZGLCWJXCOL-FQEVSTJZSA-N 467.331 -0.085 50 20 JBGD COC[C@H](NC(C)=O)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(B(O)O)c2)CC1 1829112952 HFTIVKUMZABUON-SFTDATJTSA-N 459.352 -0.249 50 20 JBGD CC(=O)N/C(=C\c1ccco1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830732857 BXEFPFATEGNRKX-HTDLJCGNSA-N 455.895 -0.187 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)CC2)CC1)[C@H](O)CCl 1833312106 JQICGPYPCWTNAQ-QGZVFWFLSA-N 469.926 -0.072 50 20 JBGD CCOCC(=O)N1CCO[C@]2(COCCN(C(=O)CN(C)NC(=O)NCc3ccccc3)C2)C1 1834986808 YKPLFNMOQWBJTD-QHCPKHFHSA-N 477.562 -0.175 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CNc3ccccc31)CCO2 1835715312 NEVYHBFKSOJYDO-DVECYGJZSA-N 480.525 -0.036 50 20 JBGD CC(C)N[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1)C(C)C 1835893737 CQCSXAUOXCNINL-OFNKIYASSA-N 461.368 -0.541 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)[C@H]3Cc4ccccc4CN3)C2)C1 1835928333 KXMIJHOUAXYDGI-RDGATRHJSA-N 479.342 -0.849 50 20 JBGD Cc1ccc(OCC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)cc1 1835929411 ORJXDTKVSJUJPS-DEOSSOPVSA-N 468.315 -0.176 50 20 JBGD O=C(CCCn1ccnc1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835934489 VOFALXCAZSXGRH-QFIPXVFZSA-N 456.308 -0.887 50 20 JBGD C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1)n1cccc1C=O 1835958076 IMMDVFDXVRKPTM-JTSKRJEESA-N 463.535 -0.309 50 20 JBGD Cc1cc(/C=C/C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)no1 1837554437 RJTFQWSARAQNHO-IOUFHMPJSA-N 455.276 -0.554 50 20 JBGD COc1nc(C)ccc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1838174423 BNOHVTBFXRCXQY-HSZRJFAPSA-N 469.303 -0.538 50 20 JBGD Cn1ncc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)c1Cl 1838307308 DWASBYGARMETKH-HXUWFJFHSA-N 462.699 -0.863 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2 1839433801 BTEUAUBHVKBZGD-QFIPXVFZSA-N 490.705 -0.185 50 20 JBGD Cn1cc2cc(C(=O)N3CCO[C@]4(COCCN(C(=O)c5cccc(B(O)O)c5)C4)C3)ccc2n1 1839504462 GZQOZGYUHBBBSW-DEOSSOPVSA-N 478.314 -0.363 50 20 JBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn4[nH]cnc(=O)c4c3C)C2)C1 1840154034 IQMBCLJJIYVMPF-MGPUTAFESA-N 467.910 -0.345 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3[nH]nc4ncccc34)C2)C1 1840184001 NAPUREPCSFCYDW-OAQYLSRUSA-N 459.507 -0.599 50 20 JBGD Cc1ccc(=O)n(C(C)(C)C(=O)N2CCOC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)n1 1840185215 HFKRWPBPCWFQFW-HSZRJFAPSA-N 492.577 -0.884 50 20 JBGD COC(=O)c1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)c(C)c1 1840785497 FTXUQYWSGOKYRE-RUZDIDTESA-N 496.325 -0.155 50 20 JBGD CN1CCCn2nc(C(=O)N3CCCC34CN(C(=O)c3cnccc3C(=O)NN)C4)cc2C1 1845726837 JLRDVYVRKGNFNN-UHFFFAOYSA-N 452.519 -0.152 50 20 JBGD O=C(NNC(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1)C1CCN(c2ncccn2)CC1 728958821 FQNBSUUBKBQHSB-UHFFFAOYSA-N 458.523 -0.800 50 20 JBGD C[C@H](C(=O)NC1CC1)N1CCN(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)CC1 813495555 DYFYTBGTEQPSIQ-CYBMUJFWSA-N 451.553 -0.381 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)c3cnc4c(c3)CCNCC4)C2)C1 1782729235 ANINYRXNYMAEPF-XMMPIXPASA-N 464.331 -0.793 50 20 JBGD O=C1CC(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)=Cc2ccccc2N1 1795740222 GIWRBOJGNHBCEG-BBIADKPPSA-N 475.310 -0.005 50 20 JBGD Cc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)ncc1[N+](=O)[O-] 1796599452 LFBOTFNIFCJORS-CCWDJLKJSA-N 454.248 -0.505 50 20 JBGD COc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(=O)NN(C)C)C3)c([N+](=O)[O-])cc1O 1798594783 KTHSITVTIUZUPW-NXCRSVRDSA-N 479.490 -0.115 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@H]1CCN(C(=O)CN2CCOCC2)[C@@H]1c1cccnc1 1810297730 DAOADYJUSJJCHI-DYESRHJHSA-N 467.530 -0.268 50 20 JBGD Cc1nn2cc(CC(=O)N3CCO[C@@]4(COCCN(C(=O)CCC(=O)NN(C)C)C4)C3)nc2s1 1832109834 FMNCOLLDFKGVDH-OAQYLSRUSA-N 493.590 -0.529 50 20 JBGD Cc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)cc1 1835082492 UIGIPIZHGMHXTN-XMMPIXPASA-N 452.316 -0.012 50 20 JBGD N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@@]4(CN(C(=O)c5cccc(B(O)O)c5)CCO4)C3)c2c1 1835939569 TXLJRCPFNBGVPO-XMMPIXPASA-N 489.297 -0.502 50 20 JBGD CCS(=O)(=O)CC(=O)N1CCC(OC2CCN(C(=O)c3cnccc3C(=O)NN)CC2)CC1 1836846664 YOGSBINBGAVKPC-UHFFFAOYSA-N 481.575 -0.268 50 20 JBGD CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](F)Br)CCO2)C1 1839201852 LGNCLLOOWCNBLX-QFSBIZTOSA-N 484.319 -0.024 50 20 JBGD CC[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3ccncc3=O)C2)C1 1839966748 OKWBGTHQXQWICB-RDTXWAMCSA-N 457.325 -0.127 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cnc4ccccc43)C2)C1 1840185236 MRDQMAAZQUNHEC-HSZRJFAPSA-N 472.546 -0.134 50 20 JBGD NS(=O)(=O)c1ccc(N2CCN(C(=O)NNC(=O)CNC(=O)c3ccco3)CC2)cc1 725872822 SGCCEMHSPLBUHK-UHFFFAOYSA-N 450.477 -0.780 50 20 JBGD O=C(NCCC(=O)N1CCN(c2ncccn2)CC1)NNC(=O)c1ccc(-n2cnnn2)cc1 726710460 ANNXXNPLBRLRSG-UHFFFAOYSA-N 465.478 -0.865 50 20 JBGD CC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc1 728387731 VAKPWURBIYARDQ-OAHLLOKOSA-N 459.546 -0.128 50 20 JBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)CNC(=O)c3ccco3)CC2)cc1 751202681 HGCDIDQBBMFUDC-UHFFFAOYSA-N 463.516 -0.528 50 20 JBGD COC(=O)c1cc(S(=O)(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)ccc1Br 919960913 LKHDZGHQBOEWGH-MRVPVSSYSA-N 470.323 -0.085 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc4n(n3)CCCC4)C2)C1 1778559975 FSTGUEQVGMFIBT-JOCHJYFZSA-N 453.503 -0.025 50 20 JBGD O=C(COc1ccc(O)cc1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1783840688 QECMBNFNMSFALB-NDXORKPFSA-N 454.288 -0.256 50 20 JBGD O=C1Nc2ccccc2/C1=C/C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786979884 WFKMAYLCROBKIR-DFFOJIANSA-N 475.310 -0.005 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CC[C@H]4CCC(=O)N4C3)C[C@@H]21 1788610001 KXDQDCVRXYDWNF-UKSSEWCLSA-N 484.557 -0.321 50 20 JBGD CC(C)(C)OC(=O)N1CCN(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](O)CCl)C(=O)C1 1792983058 AIOJITXYGSFEJL-KRXQYRFLSA-N 488.969 -0.745 50 20 JBGD CC(C)(C)OC(=O)N[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1)C1CC1 1795734087 BBJHJXDGFWASRI-HNJRGHQBSA-N 487.362 -0.127 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]c3c(F)cccc13)C2)c1cccc(B(O)O)c1 1795739241 VUXHSPNPLGRZEM-ZSBFGKGUSA-N 452.251 -0.101 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@H](CNC(=O)C2=NNC(=O)C2)[C@@H]1c1cccnc1 1810223570 PHJSQWOFPPFUFZ-UGSOOPFHSA-N 450.459 -0.724 50 20 JBGD O=C(CNC(=O)C(F)(F)F)Nc1nc2c(s1)C[C@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1826139870 ATGITNCVAYVXSE-LLVKDONJSA-N 470.238 -0.273 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccnc1Cl)CCO2 1829495617 XDEOSMIAXQVMSU-OAQYLSRUSA-N 459.695 -0.201 50 20 JBGD CC(C)N1CCC(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)CC1 1832411842 QVSYSCZPKOVVPQ-XMMPIXPASA-N 488.589 -0.125 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(CN(C(=O)CSC(=N)N)CCO2)C1 1835510680 KXRPHGNPBHVCHE-QNDYCBLQSA-N 465.536 -0.797 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)c3cccnc3S)C2)C1 1835926696 ZCENBCMMVBMQQK-NRFANRHFSA-N 457.317 -0.566 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cccnc3)C2)C1 1837457449 CJGOGCRJMONYCA-QFIPXVFZSA-N 454.487 -0.607 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)C[C@@H](N)c3cccnc3)C2)C1 1837457459 CSRZRMVDOAZCDH-XXBNENTESA-N 483.529 -0.760 50 20 JBGD Cc1nc(C)c(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cnccc4C(=O)NN)CCO3)C2)o1 1837460021 ZKFHAOXDZKFDGO-OAQYLSRUSA-N 458.475 -0.326 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C3=NNC(=O)C3)C2)C1 1838528032 BBOLIMYIWAWUSB-NRFANRHFSA-N 489.441 -0.534 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnc3c(c1)CCNCC3)CCO2 1839693841 AFODJGUCWHCVRS-DEOSSOPVSA-N 488.589 -0.787 50 20 JBGD CC[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)CN(C)C(=O)C(=O)O)C2)C1 1839966833 RAFXRZLSSZNUHU-PXAZEXFGSA-N 464.313 -0.841 50 20 JBGD CCn1nc(C)cc1C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840183791 ALRUJOZABKUCLX-OAQYLSRUSA-N 450.540 -0.346 50 20 JBGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](Cc1cnc[nH]1)NC(C)=O)CCO2 1840371870 GLBHZHHYQBMGRL-HLIPFELVSA-N 471.942 -0.833 50 20 JBGD C[C@H](Oc1cccnc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1840454712 QGHQIZWVCFZIOX-HTAPYJJXSA-N 463.535 -0.322 50 20 JBGD N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1840819147 RTIZVHQCQZOQIU-DEOSSOPVSA-N 479.298 -0.613 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCCC12CN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O)C2 1846385616 ZYELHTUISWOEPY-HZPDHXFCSA-N 467.567 -0.209 50 20 JBGD CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NNC(=O)CN1CCCC1=O 751616108 BYGREBNIWLXTDL-CQSZACIVSA-N 494.979 -0.809 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](O)N3CCOCC3)C2)C1 1779087049 HOQYSTNVSWDIAF-LUQKVYGDSA-N 490.985 -0.401 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)c3cnc4snnc4c3)C2)C1 1780069706 IJQRNYWKRZUOKG-HXUWFJFHSA-N 453.289 -0.477 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](CO)NC(=O)OC(C)(C)C)C2 1782212044 PTHMPDMYKQYBRH-YGKZAACZSA-N 499.609 -0.241 50 20 JBGD CN(C)NC(=O)CCC(=O)NC1(c2ccc(NC(=O)c3cc(=O)n4[nH]nnc4n3)cc2)CCC1 1788410013 CPNKZUGTEDIFCG-UHFFFAOYSA-N 467.490 -0.067 50 20 JBGD CC(=O)N[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1ccc(F)cc1 1789698210 BQQVCYBRPRTYQM-FDTGPBLFSA-N 497.332 -0.024 50 20 JBGD COc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)c(O)c1OC 1790161368 CIXWFMLGWOJQAH-QSFXBCCZSA-N 484.314 -0.004 50 20 JBGD Cc1cccc(C)c1NC(=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795736288 WJDRLKIXMCROAH-RMFSNUHRSA-N 465.315 -0.175 50 20 JBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)CCNC(=O)OC(C)(C)C 1799354609 VALBGJVCDHZVNM-YYAJDYIMSA-N 485.582 -0.775 50 20 JBGD CN(CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(B(O)O)cc1)C2)NC(=O)NCc1ccccc1 1799871431 DNKIBRYUEPQXLY-KOUNCHBCSA-N 493.373 -0.036 50 20 JBGD NC(=O)c1nccnc1C(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807375430 OQPYEKSFWSOUHZ-JXFKEZNVSA-N 474.286 -0.716 50 20 JBGD CC(=O)N1CCN(CC(=O)NC[C@@H]2CCN(C(=O)[C@H](O)CCl)[C@H]2c2cccnc2)CC1 1809665933 SRFWPGZWAABVHK-NSHGMRRFSA-N 451.955 -0.149 50 20 JBGD CC(=O)N1CCN(CC(=O)N2CCC3(CCCN(C(=O)c4ccc(B(O)O)cc4)C3)CC2)CC1 1809972490 PRELIRBOWVYEIQ-UHFFFAOYSA-N 470.379 -0.625 50 20 JBGD CNC(=S)NCCC(=O)N1CC[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1813072229 CJXYZOPNPHOFLT-JXFKEZNVSA-N 463.608 -0.056 50 20 JBGD O=C(COc1ccc(O)nn1)N[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815348669 VXOJQWJEIRUNJK-CYBMUJFWSA-N 469.288 -0.377 50 20 JBGD Cc1nn(C)c(C)c1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1831811337 DMEBDXJYQNYXFD-JOCHJYFZSA-N 471.518 -0.581 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H](O)N2CCOCC2)CC1 1831873196 CZULFINRZXJABY-AVRDEDQJSA-N 453.584 -0.370 50 20 JBGD COc1cnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)c(F)c1 1833631440 RXKIOBUSPZUXFT-JOCHJYFZSA-N 473.266 -0.707 50 20 JBGD Cn1ccc(CC(=O)NC2CCN(C3CCN(C(=O)c4cnccc4C(=O)NN)CC3)CC2)n1 1834847283 NGXVAGBIMGWAPC-UHFFFAOYSA-N 468.562 -0.154 50 20 JBGD Cc1nc(N)sc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835928021 AORCRUOZWVOJBH-HXUWFJFHSA-N 460.321 -0.903 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)[C@H](O)c3ccccc3Cl)C2)C1 1835933511 AWVPHOQFHFAEKM-NFBKMPQASA-N 488.733 -0.177 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)c3cccc4c[nH]nc34)C2)C1 1835935805 SIGBPRMDADRMCG-HSZRJFAPSA-N 464.287 -0.374 50 20 JBGD O=C(c1ccc(-n2cccn2)cc1)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835939730 YLHBOKZLSZDTGS-VWLOTQADSA-N 490.325 -0.064 50 20 JBGD CN(CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1nc[nH]n1)CCO2)NC(=O)NCc1ccccc1 1836350991 RSBQVEGYSWTZJG-QFIPXVFZSA-N 486.533 -0.779 50 20 JBGD C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1)N1C[C@H]2C[C@H]2C1 1837287902 CGXKTSCVMQJRFC-QLDGJZPUSA-N 451.568 -0.844 50 20 JBGD C[C@H](Br)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)NC(=O)c1cnccn1)CCO2 1837610014 FVQZHESAGBGZIB-CKFHNAJUSA-N 484.351 -0.165 50 20 JBGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4n(n3)CCCNC4=O)C2)C1 1840153499 PVSIVDRMSAIREP-VLIAUNLRSA-N 469.926 -0.660 50 20 JBGD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1840880473 QSJLENJXKOHNNL-SXBBHYFQSA-N 498.297 -0.733 50 20 JBGD CN(CC(=O)N1CCCC12CN(C(=O)C[C@H]1NC(=O)NC1=O)C2)NC(=O)NCc1ccccc1 1845038498 JGIBVZGIENHZHE-MRXNPFEDSA-N 471.518 -0.866 50 20 JBGD Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NNC(=O)[C@H]1COc2ccccc2O1 16230276 WAVJPJCBQGBHLM-QGZVFWFLSA-N 450.473 -0.353 50 20 JBGD C[C@H]1CN(CCC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)C[C@@H](C)O1 912921701 SMHSECKTETUBHC-IYBDPMFKSA-N 454.549 -0.032 50 20 JBGD O=C(/C=C/C(=O)N1CC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2)NCc1ccco1 1779207840 NJDUOJRBMNHDGQ-BMOUEYTDSA-N 467.287 -0.725 50 20 JBGD CN(CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]2C1)NC(=O)NCc1ccccc1 1784091981 AZGLIXAQEIECHW-OKYOBFRVSA-N 481.981 -0.088 50 20 JBGD CN(CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3C=CCN3)C[C@@H]21)NC(=O)NCc1ccccc1 1789726718 PLSJAQGKQVEXDT-TUFLPTIASA-N 470.574 -0.160 50 20 JBGD O=C(/C=C/C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1)NCc1ccco1 1795740241 IYRSFYMIBMHRMU-PHFADZCDSA-N 467.287 -0.965 50 20 JBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2n(n1)CCCNC2=O 1797967209 BVCCNMPECUUUCB-BTTYYORXSA-N 466.502 -0.419 50 20 JBGD C[C@H](NC(=O)c1ccc(F)cc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1799051666 MPHUUVZLTLDMIT-NTNQKNOYSA-N 498.515 -0.154 50 20 JBGD C[C@@H](CS(C)(=O)=O)C(=O)N1CCC2(CCCN(C(=O)c3ccc(B(O)O)cc3)C2)CC1 1809969313 PPUFCFFDBIEBOK-INIZCTEOSA-N 450.366 -0.108 50 20 JBGD COc1ccc(OCC(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)cc1 1830235436 JQLUPNJLELXEKR-XMMPIXPASA-N 484.314 -0.476 50 20 JBGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cncc(S(C)(=O)=O)c3)CCO2)C1 1833401818 ZVOKBMRFRNEBIA-APWZRJJASA-N 475.951 -0.191 50 20 JBGD CCc1ccnc(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)c1 1835928130 FLLZDKFIZIZZQG-QHCPKHFHSA-N 453.304 -0.292 50 20 JBGD O=C(c1cnc2ccoc2c1)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835935466 FZALDBTVRDUSJO-QHCPKHFHSA-N 465.271 -0.109 50 20 JBGD C[C@H](NC(=O)c1ccccc1)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835941145 JARRGYJOMDMTBP-BVZFJXPGSA-N 495.341 -0.745 50 20 JBGD C[C@H](NNc1ccccc1)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837456339 KYUXZJPBVIDXJL-BXKMTCNYSA-N 497.556 -0.240 50 20 JBGD Cc1nn(C)cc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837456919 SOJOTBOKJOWCGQ-NRFANRHFSA-N 457.491 -0.889 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(CO)c(F)c3)C2)C1 1837460389 FQISAZKZAKFDCL-HSZRJFAPSA-N 487.488 -0.300 50 20 JBGD N#Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)cc1 1838951221 DSMVKTTXEFTTIO-QHCPKHFHSA-N 464.482 -0.059 50 20 JBGD O=C1CSc2ncc(C(=O)N3CCO[C@]4(COCCN(C(=O)[C@H](O)CCl)C4)C3)cc2N1 1839576992 FPOPDSJEZIIKHB-AUUYWEPGSA-N 470.935 -0.205 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnc3ccc(F)cn13)CCO2 1839592009 IOQLGAUMCTXDRQ-QHCPKHFHSA-N 497.487 -0.144 50 20 JBGD Cc1ccc(C(=O)C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)cc1 1840099043 MKYIUJLIPAXZOG-XMMPIXPASA-N 481.509 -0.054 50 20 JBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)c3cc(C)on3)C2)C1 1840153514 QNMRGUQYSBVGGH-IFXJQAMLSA-N 458.899 -0.577 50 20 JBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc4ncnn4c3)C2)C1 1840153869 DILLYFZVUVRZHV-JXFKEZNVSA-N 451.911 -0.018 50 20 JBGD C[C@@H](Cn1ccnc1)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840185499 RFPRKJFVMOXQLW-LAUBAEHRSA-N 450.540 -0.651 50 20 JBGD COC(=O)c1ccc(Br)c(S(=O)(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c1 728510007 TUGLSAVDTSVPEZ-SSDOTTSWSA-N 458.312 -0.517 50 20 JBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)CCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1 729275119 LNURXAAMLYFUGM-VIFPVBQESA-N 476.455 -0.661 50 20 JBGD CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)CC2)cc1 729276049 WFEVSGDNJZIPGZ-GFCCVEGCSA-N 474.561 -0.625 50 20 JBGD Cn1c(=O)n(C)c2cc(C(=O)N3CC[C@@]4(CN(C(=O)c5ccc(B(O)O)cc5)CCO4)C3)ccc21 1777866082 WJFIGERGBGNHHP-DEOSSOPVSA-N 478.314 -0.686 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)CCO2 1783934352 FEBCAFXSFFHCML-OPAMFIHVSA-N 485.582 -0.535 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CC(=O)N(C4CCCC4)C3)C[C@@H]21)c1ccc(B(O)O)cc1 1786980245 ZOJXGLISAWMNGU-GPHNJDIKSA-N 483.374 -0.249 50 20 JBGD O=C1NCCn2nc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)[C@@H](F)Br)[C@H]4C3)cc21 1789922477 KMXGHXFOJYOYNV-TXFQPVFDSA-N 458.288 -0.090 50 20 JBGD CC[C@@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNCP(=O)(O)O)C[C@@H]21 1790962165 WQICYNRMTPOYQA-RVMXOQNASA-N 456.274 -0.136 50 20 JBGD CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795741200 MPXAVKQSSRCKSG-VPTLXERWSA-N 482.302 -0.142 50 20 JBGD COCCOCCOCCOCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](Cl)COC)C2 1800849204 PTEHRTGUVWITRJ-SFNKJDCFSA-N 466.959 -0.474 50 20 JBGD CC(=O)N[C@@H](Cc1cccc(F)c1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1802040052 IJLJLUJBPRXPEH-YDLSIGKMSA-N 497.332 -0.544 50 20 JBGD O=C(CCN1CCOC1=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cccc(B(O)O)c1)CC2 1818691133 GUBQJHMFYGVJTF-AWEZNQCLSA-N 458.305 -0.109 50 20 JBGD Nc1n[nH]c(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)n1 1828804462 IAYRHIMZSGWGRG-GOSISDBHSA-N 454.340 -0.067 50 20 JBGD CNc1nsnc1C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1829759041 QNXNCOIBFIBDPP-GOSISDBHSA-N 455.541 -0.977 50 20 JBGD C[C@@H](Cc1ccncc1)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835939084 DXDMKFXAVALIRX-MHECFPHRSA-N 467.331 -0.290 50 20 JBGD C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1)n1ccnc1 1837456797 QEZRZJOOKUNIOL-VFNWGFHPSA-N 457.491 -0.787 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCc4nc[nH]c4C3)C2)C1 1837460326 BLMQZPHXMCUOOR-CMJOXMDJSA-N 483.529 -0.717 50 20 JBGD C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1)C(F)(F)F 1839892690 BGEMUDMVAWODHP-GOSISDBHSA-N 457.409 -0.126 50 20 JBGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](CO)NC(=O)OC(C)(C)C)C2)C1 1840152908 YKDSFXJEHFVLHA-SIFCLUCFSA-N 479.958 -0.418 50 20 JBGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc4ncnn4c3)C2)C1 1840153871 DILLYFZVUVRZHV-OXQOHEQNSA-N 451.911 -0.018 50 20 JBGD COC(=O)CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1840236723 YFLWQDMDGMIGGQ-HSZRJFAPSA-N 491.545 -0.121 50 20 JBGD CC[C@H](Cl)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](Cc1cnc[nH]1)NC(C)=O)CCO2 1840371545 PNMSJLZXHQWXGA-SQGPQFPESA-N 455.943 -0.069 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(CN(C(=O)COc3cccnn3)CCO2)C1 1840409473 LFJYZIOSXSKWKJ-NJRDNMGOSA-N 485.501 -0.554 50 20 JBGD C[C@@H](Cn1ccnc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1840431541 KMSWKRWGVLNQOI-AOMKIAJQSA-N 471.518 -0.712 50 20 JBGD CC(C)(C)OC(=O)N[C@H](CCCNC(=N)N)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](O)CCl 1847559508 XBBRITQJCUZABM-QPSCCSFWSA-N 474.990 -0.056 50 20 JBGD CCn1c(=O)c2ccccc2n(CC(=O)NNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)c1=O 769251687 GBQBOLGSDIQGMV-UHFFFAOYSA-N 479.902 -0.055 50 20 JBGD CN(C)CCN1CCC(NC(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)CC1 916382869 TVZWZXDLLZFUEI-UHFFFAOYSA-N 468.628 -0.330 50 20 JBGD COc1cc2c(cc1OC)[C@H](CC(=O)NNC(=O)NC[C@H]1COCCO1)N(S(C)(=O)=O)CC2 918108488 KHMWPFPAFROXNP-HOCLYGCPSA-N 486.547 -0.302 50 20 JBGD CCn1nc(C(=O)NNC(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)c2ccccc2c1=O 920275408 BVOUZYSXVWUSGU-HNNXBMFYSA-N 456.503 -0.642 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H]1CCc3nc(O)nc(O)c3C1)CCO2 1779028342 JNZOMKSGDRAYIJ-ZAMGYDSWSA-N 497.512 -0.865 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)ncn1)C2 1779371537 XYLJXCLXAQMWHV-IIBYNOLFSA-N 455.475 -0.378 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@]2(CN(C(=O)CN3CC(=O)NC3=O)CCO2)C1 1780095034 BYLQMPVHKPFIIS-OAQYLSRUSA-N 489.441 -0.485 50 20 JBGD CCOc1ccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2ccc(B(O)O)cc2)C3)nn1 1780238227 NVAKUHYPAPDFMZ-AUSIDOKSSA-N 468.319 -0.004 50 20 JBGD CC(C)CNC(=O)C(=O)N1CCO[C@@]2(CCN(C(=O)CN(C)NC(=O)NCc3ccccc3)C2)C1 1780967903 BZPWRYMZNOVWPB-XMMPIXPASA-N 488.589 -0.065 50 20 JBGD CN(CC(=O)N1CC[C@@]2(C1)CN(C(=O)CS(C)(=O)=O)CCO2)NC(=O)NCc1ccccc1 1780970405 VPCAWXNJXDOLBC-OAQYLSRUSA-N 481.575 -0.793 50 20 JBGD CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C(=O)N2CC[C@@]3(CN(C(=O)[C@H](O)CCl)CCO3)C2)C1 1781110968 GBWBLZCGESWNSU-ZOZBEKFXSA-N 461.943 -0.356 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)[C@H]1CC(=O)N(C2CCCC2)C1 1784968549 YEGSPMGCYGUUAC-GPHNJDIKSA-N 483.374 -0.249 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)n3ccnn3)[C@H]2C1 1790639919 LHPUHIXDZIJLND-ZJEDPXCGSA-N 456.507 -0.047 50 20 JBGD CC(C)(C)OC(=O)NCCOCCOCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2 1793088428 YOCNCNHVHYUQLX-DFGXFYAUSA-N 493.985 -0.266 50 20 JBGD C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1)[S@](=O)c1ccccc1 1795736962 RZAGSZAGDQJBAZ-SUWCKCOHSA-N 470.356 -0.234 50 20 JBGD CC(C)(C)OC(=O)N[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)C1CC1 1796360017 QFHPYUQUMQTIOB-HNJRGHQBSA-N 487.362 -0.127 50 20 JBGD COc1nc(C)ccc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797751584 JRGDMYNHBCPIFU-ZSBFGKGUSA-N 454.487 -0.086 50 20 JBGD CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CO[Si](C)(C)C)C2 1801287292 XGDQPZAKWVFFAC-LORHWOILSA-N 451.600 -0.102 50 20 JBGD C[C@H](C(=O)N1CC[C@H](CNC(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1)n1cnnn1 1810308731 NEUQYCXZSNJTDA-SIIHOXLZSA-N 464.490 -0.353 50 20 JBGD O=C(Nc1cc([C@H]2CCCCN2C(=O)CN2CCS(=O)(=O)CC2)[nH]n1)c1cccc(B(O)O)c1 1817474734 YDZUWYRURZADGZ-GOSISDBHSA-N 489.363 -0.874 50 20 JBGD CC(=O)OC[C@@H](OC(C)=O)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1819431465 UULQPRRBZDOCAL-RTBURBONSA-N 486.290 -0.110 50 20 JBGD CCOc1ncccc1C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1829545077 HVDNBEAWQULSEG-QFIPXVFZSA-N 463.535 -0.077 50 20 JBGD CS(=O)(=O)c1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)cc1F 1830738391 OUPOHWWWXKNQJO-BEFAXECRSA-N 478.926 -0.101 50 20 JBGD CC(=O)Nc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)n1 1833334718 KHRDWQMATJPAIR-HSZRJFAPSA-N 497.512 -0.578 50 20 JBGD C[C@@H](C(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1)n1ccccc1=O 1834798456 YDJXEAVZULPNEG-SFHVURJKSA-N 480.374 -0.026 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cn4c(F)cccc4n3)C2)C1 1837459340 DCBDSRBFNJCMST-HSZRJFAPSA-N 497.487 -0.144 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3Cc4ccccc4N3)C2)C1 1837460190 XDGGKXWXVDTQMO-RDPSFJRHSA-N 480.525 -0.208 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1840187293 RFSDWULZPIHXPH-ILHLOOHCSA-N 492.529 -0.354 50 20 JBGD CC(=O)OC[C@H](OC(C)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)C(Cl)Cl)CCO2)C1 1840188707 XSOKVZLTPWQRSE-GUYCJALGSA-N 455.291 -0.259 50 20 JBGD COC(=O)CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1840236340 JWASRORULPJNQQ-JOCHJYFZSA-N 470.567 -0.061 50 20 JBGD CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](C(=O)N2CC3(CCCN3C(=O)c3ccc(B(O)O)cc3)C2)C1 1843011933 LENOZKFOVZHDIY-QZTJIDSGSA-N 473.335 -0.589 50 20 JBGD CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)N([C@@H]3CCS(=O)(=O)C3)N(C)C)c2)CC1 1317732513 WYZKAWXGPOOUJQ-QGZVFWFLSA-N 472.589 -0.355 50 20 JBGD Cn1c(=O)n(C)c2cc(C(=O)N3CC[C@]4(CN(C(=O)c5ccc(B(O)O)cc5)CCO4)C3)ccc21 1777866084 WJFIGERGBGNHHP-XMMPIXPASA-N 478.314 -0.686 50 20 JBGD Cc1cc(C(N)=O)cc(C)c1C(=O)N1CC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1779006351 BCPUGFZAZNSHDP-DEOSSOPVSA-N 465.315 -0.161 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(CCN(C(=O)Cc3cn4c(nc3=O)SCC4)C2)C1 1780933947 KGJQPPNKPZCNSF-JOCHJYFZSA-N 499.553 -0.966 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CS(C)(=O)=O)[C@H]2C1 1786646395 QCLBFZAIBHHPDG-WCVSUZCSSA-N 453.521 -0.855 50 20 JBGD C[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795737815 WDWDMIGXINLLKW-SCNOPHJPSA-N 461.324 -0.517 50 20 JBGD C[C@H](C(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)[C@@H]1SC(=N)NC1=O 1807375107 LRSWVIWPJJOBRR-BIGGFVEDSA-N 495.370 -0.117 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCC2(CCCN(C(=O)c3n[nH]c4c3CS(=O)(=O)C4)C2)CC1 1810260860 LXBXCTXRHKURKJ-UHFFFAOYSA-N 486.359 -0.324 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H](CNC(=O)[C@H](O)N2CCOCC2)[C@@H]1c1cccnc1 1810353433 LPZMJCYRMHNWTF-KTJUPBIZSA-N 497.556 -0.128 50 20 JBGD CCS(=O)(=O)N[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1 1817474422 RDYAAOUDACNDHI-DYVFJYSZSA-N 477.352 -0.277 50 20 JBGD C[C@H](O)C(=O)N1CC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCN2C(=O)OCc2ccccc2)C1 1829000537 JEAHNPPIWJEZAG-BVZFJXPGSA-N 495.341 -0.187 50 20 JBGD O=C(Cc1cnc2ccccn12)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1830659348 ZPQRUBPIMGZCSK-XMMPIXPASA-N 478.314 -0.673 50 20 JBGD O=C([C@@H](O)CCl)N1CCO[C@@]2(COCCN(C(=O)C(F)(F)C(F)(F)C(=O)O)C2)C1 1830726966 YLVURKRRNZQKBQ-ZANVPECISA-N 450.769 -0.602 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3ccc(F)nc3)CCO2)C1 1832834955 BRAHCVCEIPKLFD-HSZRJFAPSA-N 486.504 -0.078 50 20 JBGD COc1ncccc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1834128430 BOLZFJXQGGAGCY-QFIPXVFZSA-N 470.486 -0.528 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCC(N2CCC(NC(=O)c3cc4n(n3)CCNC4=O)CC2)CC1 1834328711 JKTKNTVMYOAIAV-UHFFFAOYSA-N 488.593 -0.815 50 20 JBGD O=C(CCc1ccccn1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835927540 RXUJHQNDSNAGHN-QHCPKHFHSA-N 453.304 -0.536 50 20 JBGD CN[C@@H](CC(=O)N1CCC(OC2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1)C(=O)O 1837885814 SDZOZBMYUJXCQO-IBGZPJMESA-N 461.324 -0.959 50 20 JBGD CN(CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCOC3)C2)C1)NC(=O)NCc1ccccc1 1839054037 CPTUDGITQFJRIJ-HYBUGGRVSA-N 489.573 -0.175 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)c1ccccc1-n1nccn1)CCO2 1839380011 UHIBKECBSSXYCB-DEOSSOPVSA-N 491.313 -0.669 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)c1cccc3ccnn13)CCO2 1839497854 LXNYRNRQPXZGFC-QHCPKHFHSA-N 464.287 -0.602 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)C1 1840184900 CAYGORQCMKLBGP-LJQANCHMSA-N 452.468 -0.634 50 20 JBGD Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCCC23CN(C(=O)c2cccc(B(O)O)c2)C3)cc1 1841368932 NXJLCKILGWHJKJ-KRWDZBQOSA-N 485.371 -0.141 50 20 JBGD CN1N=C(C(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CCC1=O 28581025 UCBBCRBHXJUEJH-UHFFFAOYSA-N 451.505 -0.604 50 20 JBGD COc1ccc(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc1S(=O)(=O)NC1CCCC1 729277228 WKCDDJWPZMRCJN-LLVKDONJSA-N 462.550 -0.385 50 20 JBGD O=C(COC(=O)CNS(=O)(=O)c1cccc(F)c1)NNC(=O)[C@H]1COc2ccccc2O1 786570820 LOSHHCWMCDEYNA-MRXNPFEDSA-N 467.431 -0.365 50 20 JBGD CC(C)(C)OC(=O)N1CCN(C(=O)CNC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)CC1 918001942 KATSHEDMAHIYFP-UHFFFAOYSA-N 473.494 -0.314 50 20 JBGD O=C(Cn1cnc2ccc(Br)cc2c1=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 919885296 KWAUZAJJCUNRDX-JTQLQIEISA-N 458.294 -0.324 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc4c(c3)OCO4)C[C@@H]21)c1cccc(B(O)O)c1 1786984580 UCGOIUZRKBFGIW-JLMWRMLUSA-N 466.299 -0.069 50 20 JBGD C[C@@H](Oc1ccccn1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1791621825 VTAJWDTYVBOXNP-LQJIQPLVSA-N 453.304 -0.178 50 20 JBGD CC(=O)N[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1)c1ccc(F)cc1 1795739748 IWKODRJLJJVUPL-UDKICSLYSA-N 483.305 -0.414 50 20 JBGD CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(B(O)O)cc2)C1 1796188456 IIFJHJIDRGIMJV-USYVTKNRSA-N 487.362 -0.154 50 20 JBGD Cc1cn(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cnccc2C(=O)NN)c(=O)nc1O 1798443485 ASFNHTXGVIMHAF-BTTYYORXSA-N 455.475 -0.792 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@H]1CCN(C(=O)c2c[nH]c(=O)cn2)[C@@H]1c1cccnc1 1810302067 FNHWOLMGOSPKCA-AUUYWEPGSA-N 462.470 -0.203 50 20 JBGD CC(C)(C)OC(=O)N[C@H](O)C(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1811507050 LYZWWLWHTQDDNQ-SLYNCCJLSA-N 498.345 -0.076 50 20 JBGD NNC(=O)c1ccncc1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H](O)N1CCOCC1)CC2 1819797889 NZQIQDBQYVQYEP-JEOXALJRSA-N 475.531 -0.982 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCC([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827050774 FZDVRBVCZJANBD-JOCHJYFZSA-N 464.136 -0.407 50 20 JBGD CC(C)(C)OC(=O)N[C@H](CCN)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](O)CCl)CCO2)C1 1830723892 STDLWUPCUQUNBZ-QEEYODRMSA-N 478.974 -0.715 50 20 JBGD Cc1ccc(=O)n(C(C)(C)C(=O)N2CCOC[C@]3(CN(C(=O)[C@H](O)CCl)CCO3)C2)n1 1830730794 DYRAKBKRJOPNOM-QRWLVFNGSA-N 456.927 -0.657 50 20 JBGD CC(C)(C)n1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)cn1 1833452157 ABMNLOJOIYSNFW-QHCPKHFHSA-N 470.335 -0.298 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC1CCN(C2CCN(C(=O)c3cc(O)nc(O)n3)CC2)CC1 1835736677 AJLDGTUBMCOIPH-UHFFFAOYSA-N 484.517 -0.615 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC1CCN(C2CCN(C(=O)c3ccc[n+]([O-])c3)CC2)CC1 1835736944 BGQRHZLUASWICQ-UHFFFAOYSA-N 467.530 -0.183 50 20 JBGD C[C@@H](Nc1nccs1)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835928326 KTJYWYDUGGCPLJ-QVKFZJNVSA-N 474.348 -0.607 50 20 JBGD CC(=O)Nc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)ccn1 1835928339 LBSFOWSFENXUNC-HSZRJFAPSA-N 482.302 -0.896 50 20 JBGD C[Si](C)(C)OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835930790 ZROJVVWPZBZEDA-FQEVSTJZSA-N 450.373 -0.712 50 20 JBGD O=C(CCc1c[nH]c2ncccc12)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835933527 AZJDRRXWTVLEII-VWLOTQADSA-N 492.341 -0.055 50 20 JBGD O=C(Cc1ccccc1F)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835935986 ZCMSVIOVVSKJMK-QHCPKHFHSA-N 456.279 -0.182 50 20 JBGD COc1cc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)ccn1 1837457047 WHQFFHPDOCYRRS-DEOSSOPVSA-N 498.540 -0.209 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc3c1NC(=O)C3)CCO2 1839574528 OUMUZSHAPKYBRY-HSZRJFAPSA-N 473.530 -0.376 50 20 JBGD COc1ccc([C@@H](O)C(=O)N2CCOC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)cc1 1840183267 WVPUXWUXVGUOAC-GGAORHGYSA-N 478.546 -0.442 50 20 JBGD CC(=O)c1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)n[nH]1 1840183395 BZNLTOUOTFASII-HXUWFJFHSA-N 450.496 -0.945 50 20 JBGD C[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1)n1cccn1 1840441947 MCBIXZBAIPVUKP-BTYIYWSLSA-N 457.491 -0.787 50 20 JBGD CC(=O)N1CCC(N2CCC(C(=O)N3CC4(CCCN4C(=O)c4ccc(B(O)O)cc4)C3)CC2)CC1 1843011470 HIJYOLHIRJEHLO-UHFFFAOYSA-N 496.417 -0.094 50 20 JBGD O=C1CSc2ncc(C(=O)N3CC4(CCCN4C(=O)c4cccc(B(O)O)c4)C3)cc2N1 1843014930 RCQUXDLIGDASAA-UHFFFAOYSA-N 452.301 -0.064 50 20 JBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)[C@H]3CC(=O)N([C@H]4CCS(=O)(=O)C4)C3)cc2)CC1 728214468 PMTVDVFMOMOGAH-RDJZCZTQSA-N 499.615 -0.899 50 20 JBGD O=C(COC(=O)CNS(=O)(=O)c1cccs1)NNC(=O)[C@H]1COc2ccccc2O1 728323492 GXAFBOFTAOEXKS-CYBMUJFWSA-N 455.470 -0.443 50 20 JBGD CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)NNC(=O)C(=O)N2CCCC2)c1 748247049 JZMLYUZUDFXBDG-UHFFFAOYSA-N 481.575 -0.063 50 20 JBGD O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 856530757 VHDMUMNFORWZAO-SFHVURJKSA-N 490.586 -0.488 50 20 JBGD C[C@@H](Br)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN(CCO)CCO)C2 1782002108 MBYNTCVOAKKGEZ-IIDMSEBBSA-N 450.374 -0.430 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@]3(O)CCN(C(=O)OC(C)(C)C)C3)C2)C1 1784011497 OWBBBOSITKPHJG-XZOQPEGZSA-N 497.593 -0.439 50 20 JBGD C[C@@H](Oc1ccccn1)C(=O)N1CC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1784491981 XQYFFRUGSZYOJP-QRQCRPRQSA-N 454.487 -0.009 50 20 JBGD COc1cc(CCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)ccn1 1786980153 ORHUKKXPGJLDHW-JBACZVJFSA-N 467.331 -0.004 50 20 JBGD COC(=O)CSCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1 1788611671 PEPYNIBNEICYST-RCBQFDQVSA-N 465.532 -0.815 50 20 JBGD CC(=O)NCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN(C)NC(=O)NCc3ccccc3)[C@H]2C1 1789726582 BFXWEAFGKBCXBT-ACRUOGEOSA-N 488.589 -0.162 50 20 JBGD CC(=O)OC[C@@H](OC(C)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Br)C2 1797789426 FOXLCBMCPTZFGJ-XVIXHAIJSA-N 453.261 -0.239 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1[nH]cnc1-c1cccnc1 1798494421 MLIAKVJNQHVAJO-JLVBRIDZSA-N 476.497 -0.013 50 20 JBGD O=C(NC[C@H]1CCN(C(=O)c2cc(C(=O)O)ncn2)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807360316 AFNAZBDNSGJGCE-OXQOHEQNSA-N 475.270 -0.117 50 20 JBGD CC(=O)N(C)CCC(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807362807 MHJCLPYIRAWEOL-DENIHFKCSA-N 452.320 -0.051 50 20 JBGD O=C(NC[C@H]1CCN(C(=O)c2cccc(=O)n2O)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807369292 FCBQMFDNMROQAM-UTKZUKDTSA-N 462.271 -0.206 50 20 JBGD O=C(COc1ccc(O)nn1)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1812351008 KVUGKRFGPZISFO-JTSKRJEESA-N 477.286 -0.344 50 20 JBGD O=C(Cn1cccc([N+](=O)[O-])c1=O)Nc1nc2c(s1)C[C@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1824718411 FGPPYNVLTRXBON-CQSZACIVSA-N 497.298 -0.181 50 20 JBGD CC(C)(C)OC(=O)N1CC(=O)C[C@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1830885445 FLRWDVSOCNZSGH-GCKMJXCFSA-N 489.953 -0.379 50 20 JBGD Cc1nc(N)sc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1835804623 PXRXYBNMDSNXQU-HXUWFJFHSA-N 460.321 -0.903 50 20 JBGD CCc1cnc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)s1 1835930767 YVZMFKBRALMALI-OAQYLSRUSA-N 459.333 -0.231 50 20 JBGD CC(C)N[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1)C(C)C 1835935870 VEFVGJWCYRGJED-REWPJTCUSA-N 461.368 -0.541 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)c1cccn3ccnc13)CCO2 1836997515 FIJBPDMCPZCQPF-QHCPKHFHSA-N 464.287 -0.602 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3noc4c3CCCC4)C2)C1 1837457993 ZWVIOWYSLPBADK-QHCPKHFHSA-N 484.513 -0.064 50 20 JBGD CN[C@H](CC(=O)N1CCC(OC2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1)C(=O)O 1837886808 XHNNZGYQEFJLNT-QGZVFWFLSA-N 455.556 -0.579 50 20 JBGD C[C@H](NC(=O)c1cnccn1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839200580 MMTZAOIGCXHOLF-XAYKYTGQSA-N 488.314 -0.258 50 20 JBGD Cc1ccc(S(=O)(=O)CC(=O)N2CCCC23CN(C(=O)c2cccc(B(O)O)c2)C3)cc1 1842758169 GMOZMRFSOXIURB-UHFFFAOYSA-N 456.329 -0.034 50 20 JBGD CN(CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CNC(=O)N(C)C)NC(=O)NCc1ccccc1 1847343775 HWQIYRVPWQUKFO-ROUUACIJSA-N 459.551 -0.194 50 20 JBGD Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)CCC(=O)NNC(=O)C(=O)NC(C)C)CC2)c1 726614035 MLGXUTKTPJOHQB-UHFFFAOYSA-N 481.575 -0.411 50 20 JBGD Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NNC(=O)N[C@@H]3CCS(=O)(=O)C3)C2)cc1 915880276 DEYORZJDUDCNLI-LSDHHAIUSA-N 458.562 -0.087 50 20 JBGD CSCC[C@@H](NC(=O)COc1ccccc1)C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 919885238 KYLWQEXOQVSZSA-DZGCQCFKSA-N 458.562 -0.179 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(=O)N(C)C)[C@H]2C1 1783674969 DWGDKUUUTDAFCD-RPIBGLMYSA-N 461.523 -0.629 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](O)NC(=O)OC(C)(C)C)CCO2 1783935642 WHONJZPSYFOXFQ-OXQOHEQNSA-N 457.528 -0.968 50 20 JBGD COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CCO[C@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783938086 SPOXQDNDXRZZDR-JKSBSHDWSA-N 450.536 -0.055 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@@]2(CCN(C(=O)CSCC(=O)O)C2)C1 1783956277 MIXBTQWQNGJHFY-DBRLUCFCSA-N 451.505 -0.232 50 20 JBGD COc1cccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)n1 1785197893 FRFDGEHBXSLRLP-VDGAXYAQSA-N 453.304 -0.394 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COC(=O)C(F)(F)F)[C@H]2C1 1788531546 IKROOYKKDKMNQJ-BPNCWPANSA-N 473.408 -0.616 50 20 JBGD COc1nn(C)cc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN(C)NC(=O)NCc1ccccc1)C2 1794581709 BWURHRXNKFRFDO-RMFSNUHRSA-N 499.572 -0.022 50 20 JBGD Cn1c(=O)c2c(ncn2CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CCBr)n(C)c1=O 1795490935 DBMSXXIADXZVNP-CLLJXQQHSA-N 481.351 -0.143 50 20 JBGD CC(C)(C)OC(=O)N1CC(C)(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)C1 1795739133 OUCIYJQTFVKEOX-IZZQQSIFSA-N 487.362 -0.173 50 20 JBGD C[C@H](CC(N)=O)C(=O)N1CC[C@@H](CNC(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1810295371 SIBNMIKLNGIXTP-FRIZHTMISA-N 453.503 -0.089 50 20 JBGD C[C@](O)(CC(=O)O)CC(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1813065655 PFQKQLLPBRXZKD-AMHTUMDSSA-N 469.303 -0.303 50 20 JBGD O=C(Cn1cccc([N+](=O)[O-])c1=O)N[C@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815348848 ZEMRSMBPIVKMBQ-AWEZNQCLSA-N 497.298 -0.181 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)c1cnnc(Cl)c1)CCO2 1833206670 DVCMJJBQDHVUAZ-FQEVSTJZSA-N 460.683 -0.806 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3COc4ccccc4O3)C2)C1 1835927198 LMIDDFWYVQSPOS-URXFXBBRSA-N 482.298 -0.724 50 20 JBGD Cc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)c(C)n1C 1835931314 MMTCUPUZIGCLDO-QHCPKHFHSA-N 455.320 -0.294 50 20 JBGD Cc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)c(O)n1 1835931354 NSVZHNYXBUGFPU-QFIPXVFZSA-N 455.276 -0.841 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)[C@H]3Cc4ccccc4O3)C2)C1 1835937079 NSVJJMIDPSWEPB-ZJSXRUAMSA-N 466.299 -0.560 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn4ccccc34)C2)C1 1837459203 MKYCKHBOHRQNBB-QHCPKHFHSA-N 479.497 -0.283 50 20 JBGD CCc1nc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)co1 1837459401 OCXFZNCNQPAFMB-NRFANRHFSA-N 458.475 -0.381 50 20 JBGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(=O)n4[nH]cnc4n3)C2)C1 1840032245 SIPRYYVPAKLNKU-APPDUMDISA-N 469.296 -0.729 50 20 JBGD CNC(=S)NCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)Br)CCO2 1840033987 WMYGUGBCSAZGQZ-BLLLJJGKSA-N 451.387 -0.290 50 20 JBGD C[C@@H](CNC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840182813 VMHGXRYREKAWAR-GAJHUEQPSA-N 499.609 -0.023 50 20 JBGD Cc1cnn([C@H](C)C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)c1 1840404930 FNWQZGJLILHPHC-ZHRRBRCNSA-N 471.518 -0.479 50 20 JBGD O=C(NNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1)c1cnn[nH]1 729456166 UJWHKGCRGBWWDK-UHFFFAOYSA-N 450.477 -0.172 50 20 JBGD N#CCN1CCC(NC(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 730674173 GWWORRKECKJHRH-UHFFFAOYSA-N 478.575 -0.042 50 20 JBGD Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)CCC(=O)NNC(=O)C(=O)N3CCCC3)CC2)c1 748247337 YOLSINSMHAYADD-UHFFFAOYSA-N 493.586 -0.314 50 20 JBGD O=C(NCc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1)NNC(=O)C(=O)N1CCCC1 748458520 BJQYARWVXPFGAQ-HNNXBMFYSA-N 453.521 -0.403 50 20 JBGD O=C(COC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O)NNC(=O)[C@@H]1COc2ccccc2O1 750526501 FWRGSQIWRIXPFN-IBGZPJMESA-N 494.460 -0.411 50 20 JBGD CN(CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccnnc1O)CCO2)NC(=O)NCc1ccccc1 1780968755 PLXNVWVPDIIJCI-HSZRJFAPSA-N 483.529 -0.028 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)c3cnc4ccc(F)cn34)C2)C1 1782459978 KMHIKSVOEUXNFL-QFIPXVFZSA-N 452.251 -0.090 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)[C@H]3CC(c4ccccc4)=NN3)C2)C1 1782600122 OJNDNWATVSZPAS-ZJSXRUAMSA-N 462.315 -0.424 50 20 JBGD COc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)cc1O 1783783687 GAOXXKYETZNSHW-JLMWRMLUSA-N 468.315 -0.083 50 20 JBGD CN(CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21)NC(=O)NCc1ccccc1 1789724693 LAFAAOMPIATIKK-OKYOBFRVSA-N 481.981 -0.088 50 20 JBGD CCC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cnc3c1c(=O)n(C)c(=O)n3C)C2 1793445410 GRJWVFAYWHSOGJ-FQLMCAECSA-N 480.953 -0.569 50 20 JBGD COC(=O)c1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)cn1 1795734362 NOFTZRWVARQYHT-HGKCTWBKSA-N 453.260 -0.935 50 20 JBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1[nH]nc3ccncc13)C2 1797750676 NECISFMDVAOPBS-DPIQGUFMSA-N 450.459 -0.527 50 20 JBGD NC(=O)c1ncccc1C(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1804805749 DKCGVVUKSCPOCI-UTKZUKDTSA-N 473.298 -0.111 50 20 JBGD O=C(NC[C@@H]1CCN(C(=O)CNC(=O)C(F)(F)F)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807364768 GBPAHZCNIVYUNS-YJBOKZPZSA-N 478.236 -0.241 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)CN2C(=O)CNC2=O)CC1 1831871177 OUQHHAFEULCIPC-INIZCTEOSA-N 450.540 -0.469 50 20 JBGD COc1nccnc1C(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834797408 IXGMJVIVMBJFII-UHFFFAOYSA-N 467.335 -0.336 50 20 JBGD C[C@@H](Cn1cncn1)C(=O)N1CCC(N2CCC(NC(=O)c3cccc(B(O)O)c3)CC2)CC1 1834801002 GEDBGAXEZPIXBV-KRWDZBQOSA-N 468.367 -0.521 50 20 JBGD COc1cccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)c1 1835030420 QULJBUCODBAGDQ-XMMPIXPASA-N 468.315 -0.312 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCC(N2CCC(NC(=O)[C@@H](N)Cc3cccnc3)CC2)CC1 1835097785 RGBHYYMTSCIPAH-NRFANRHFSA-N 473.622 -0.104 50 20 JBGD O=C(C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2)c1ccc(Cl)cc1 1835926709 ZPVPKJIGSLWOLS-QHCPKHFHSA-N 486.717 -0.027 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1)c1cc(CO)on1 1836188727 RDQQVIWAPIILSX-UHFFFAOYSA-N 456.308 -0.654 50 20 JBGD CC(=O)N1CCN(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CCBr)C3)C2)CC1 1836764714 JHUZDIGFNZUFKY-LJQANCHMSA-N 475.384 -0.608 50 20 JBGD CSCC[C@H](NS(=O)(=O)c1ccccc1F)C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 919884518 HAJBFKJWIUFSPC-YPMHNXCESA-N 482.581 -0.257 50 20 JBGD COc1cc2c(cc1OC)[C@@H](CC(=O)NNS(=O)(=O)c1cn[nH]c1)N(S(C)(=O)=O)CC2 919956006 RECXFSHXSWSCGW-CQSZACIVSA-N 473.533 -0.315 50 20 JBGD COc1ccc(C(=O)NNC(=O)COC(=O)c2cc3c(=O)n(C)c(=O)n(C)c3n2C)cc1OC 920604670 BCTQHLCECFZUCS-UHFFFAOYSA-N 473.442 -0.789 50 20 JBGD O=C(CCN1CCOCC1)NNC(=S)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 1318441937 FIUQTTZVVLJFPG-UHFFFAOYSA-N 457.578 -0.253 50 20 JBGD C[C@@H](Nc1cnccn1)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779031918 HLFGMPFTIMJHQR-SPLOXXLWSA-N 454.491 -0.581 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@]2(CN(C(=O)CC[C@H](N)C(N)=O)CCO2)C1 1780096854 IVULLBROSBEEPV-KKSFZXQISA-N 477.474 -0.444 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(=O)ccn3C)C2)C1 1780103509 QKXFSYHEGJNXPS-NMWDDECMSA-N 454.487 -0.037 50 20 JBGD O=C(c1ccc(-n2c(O)nnc2O)cc1)N1CC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1780197611 QHBIQHZUEHPVPN-LIRRHRJNSA-N 451.867 -0.278 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)c3cnc4c(c3)CCNCC4)C2)C1 1782730352 GHTXQIOKSVCUOQ-HSZRJFAPSA-N 458.563 -0.414 50 20 JBGD COC[C@@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)[C@H]3CSCN3C(=O)[C@@H]3CCC(=O)N3)CCO2)C1 1783880161 CHFMPXVRMSIEBI-IGMJJTELSA-N 488.994 -0.750 50 20 JBGD C[C@H]1Oc2ccc(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)c5cccc(B(O)O)c5)C[C@@H]43)cc2NC1=O 1789260285 HXAIEBRPMXKIIM-YZHKUDHRSA-N 493.325 -0.007 50 20 JBGD COCCOCCOCCOCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21 1791142805 LZSXPHDMEOOFMW-FJIDUMEYSA-N 466.959 -0.738 50 20 JBGD CN(CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc[n+]([O-])c1)NC(=O)NCc1ccccc1 1794252136 DLRYRQSVRCIZPW-VTYHHJSWSA-N 482.541 -0.131 50 20 JBGD COC(=O)c1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)cn1 1796563029 FQWNHMIFDOEOPQ-HGKCTWBKSA-N 453.260 -0.935 50 20 JBGD O=C(COc1cccnn1)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1826759815 NWDYLLVFMQYPRE-AWEZNQCLSA-N 453.289 -0.082 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnn(C)c1C(F)(F)F)CCO2 1833329749 IMTAZFAMFWOPNG-IBGZPJMESA-N 490.483 -0.118 50 20 JBGD COc1cnc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)c(F)c1 1833634824 BYSJYHXKITVLIE-NRFANRHFSA-N 467.498 -0.328 50 20 JBGD CC(C)(C)OC(=O)CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835927092 DTZXDNSIOJDRBE-QFIPXVFZSA-N 462.308 -0.832 50 20 JBGD CN(CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2)C(=O)OC(C)(C)C 1835929576 WZQAGEAKOGYFQP-HSZRJFAPSA-N 491.350 -0.697 50 20 JBGD CC(=O)Nc1ccccc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835942137 XNXDXAKJWRSBIZ-XMMPIXPASA-N 481.314 -0.291 50 20 JBGD COC(=O)CSCC(=O)N1CCC(OC2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1836869702 BJSRQLIFAWSNGH-UHFFFAOYSA-N 478.376 -0.115 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(F)n3)CCO2)C1 1837906442 QRHNYFSYCHVOJL-OAQYLSRUSA-N 458.450 -0.397 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(OCCCO)cc1)CCO2 1838546959 WNUMQHRAJHWDQM-RUZDIDTESA-N 498.341 -0.489 50 20 JBGD CNC(=S)NCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839200989 ULFDLDZOTYSCPP-SWLSCSKDSA-N 455.350 -0.383 50 20 JBGD C[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](F)Br)CCO2)C1)N1CCN(C)CC1 1839202107 VBUCOLIDMPQSIN-HDMKZQKVSA-N 465.364 -0.231 50 20 JBGD CCC(=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN(C)NC(=O)NCc3ccccc3)C2)C1 1839831418 RNUZTLXCAAEJKD-HSZRJFAPSA-N 475.546 -0.232 50 20 JBGD CC(C)(C)OC(=O)N[C@H](CCO)C(=O)N1CCCC12CN(C(=O)c1cnccc1C(=O)NN)C2 1841431075 SRKATTISFGGNBV-MRXNPFEDSA-N 476.534 -0.222 50 20 JBGD Cn1c(=O)c2c(ncn2CC(=O)N2CCCC23CN(C(=O)[C@@](C)(Cl)CCl)C3)n(C)c1=O 1841984961 GHRCGDWEEAXFIQ-SFHVURJKSA-N 471.345 -0.127 50 20 JBGD CSCC[C@H](C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 920744150 ASZYYRFPWYAPLP-IGQOVBAYSA-N 460.578 -0.199 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1779382824 YDDBUMNMTWYUHW-OZNZCJATSA-N 458.435 -0.105 50 20 JBGD CC[C@H](Br)C(=O)N1CC[C@]2(CN(C(=O)CN3CCS(=O)(=O)CC3)CCO2)C1 1783342406 ISGXBFRPSCGXON-YOEHRIQHSA-N 466.398 -0.280 50 20 JBGD COc1cccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)n1 1786980202 VGSGYFBYNYGQHX-VDGAXYAQSA-N 453.304 -0.394 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc4ncnn4c3)[C@H]2C1 1788451861 BKMPEKMDVZXQCM-WBAXXEDZSA-N 464.486 -0.365 50 20 JBGD COc1ccc([C@H](O)C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)cc1 1792718353 YIULVOIHLFSWMS-VZJWBNGJSA-N 469.498 -0.370 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)[C@H]1ON=C(c2ccccc2)O1 1797642154 ULUODEJFHKEUDK-PDPLOHQNSA-N 465.271 -0.696 50 20 JBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cn3cc(F)ccc3n1)C2 1797751562 HHGUOXSEXZQHAQ-DBWKPXFBSA-N 467.461 -0.011 50 20 JBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN1C(=O)Cc3ccccc3C1=O)C2 1801008956 KBCFEIAFGBXORW-MRSFGVLCSA-N 499.568 -0.436 50 20 JBGD CN(C)C(=O)c1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)c1 1801913290 SKTJXPVJOODYBM-XEMDLRDOSA-N 480.525 -0.096 50 20 JBGD CN[C@H](CC(=O)N1CC[C@H](CNC(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1)C(=O)O 1810301628 AVGMPWZSVRJJFR-LSBZLQRGSA-N 469.502 -0.538 50 20 JBGD NNC(=O)c1ccncc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2nccnc2C(N)=O)[nH]n1 1819403465 NTYOKXNEEGMGSJ-CQSZACIVSA-N 478.473 -0.083 50 20 JBGD COC[C@@H](NC(C)=O)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1819607356 GAQLNBWDAABRKG-MSOLQXFVSA-N 457.296 -0.454 50 20 JBGD NC(=O)c1nccnc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1820024959 PSFJWCVRAFGABK-HNNXBMFYSA-N 463.263 -0.402 50 20 JBGD O=C([C@H](O)N1CCOCC1)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827051992 LIESLLUMXBOXOY-REWPJTCUSA-N 459.352 -0.750 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(Cl)nc1)CCO2 1829505409 AHLRGSDWSPXAKM-OAQYLSRUSA-N 459.695 -0.201 50 20 JBGD CC1CCN(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)CC1 1831104979 ZQWPFLPCPXUWOM-QHCPKHFHSA-N 474.562 -0.513 50 20 JBGD Cc1c(C(=O)NC2CCN(C3CCN(C(=O)c4cccc(B(O)O)c4)CC3)CC2)cnn1C 1834279890 PDBJQFKGSMWXMQ-UHFFFAOYSA-N 453.352 -0.093 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)CNC(=O)c3ccco3)CC2)CC1)c1ccc(B(O)O)cc1 1834797915 LJSXQQFLRRKZLO-UHFFFAOYSA-N 482.346 -0.425 50 20 JBGD O=C(/C=C\C(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1)NC1CC1 1834798620 RNUBHJRYTIJYCG-FPLPWBNLSA-N 468.363 -0.614 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(-n3cnnc3)cc1)CCO2 1835494601 NBUSDBWHGRZCRA-DEOSSOPVSA-N 491.313 -0.669 50 20 JBGD COc1ccc([C@@H](O)C(=O)N2CCOC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)cc1 1835933711 ANLMYBYYSOYFKN-ZJSXRUAMSA-N 484.314 -0.821 50 20 JBGD CC(C)(C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1)c1ccccn1 1835934147 MRXCJXLETIWZJK-XMMPIXPASA-N 467.331 -0.191 50 20 JBGD O=C(Cc1cccc([N+](=O)[O-])c1)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835934465 UJBXVUMZCZOKMZ-QHCPKHFHSA-N 483.286 -0.413 50 20 JBGD O=C(Cn1cnc2ccccc21)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835940128 VHUINKAWFFHNLX-DEOSSOPVSA-N 478.314 -0.514 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)CN(CCO)CCO)CC2)CC1)[C@@H](F)Br 1836413521 GEPANXIRQVURBZ-QGZVFWFLSA-N 467.380 -0.465 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)NC=O)C2)C1 1838528427 WQHRVKTYGCQLPF-QKKBWIMNSA-N 478.458 -0.275 50 20 JBGD CN(CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccncn3)C2)C1)NC(=O)NCc1ccccc1 1839054335 UPDMQHLZWOMCSM-XMMPIXPASA-N 497.556 -0.107 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)CCO2 1839414959 JEZROGQOODUBGL-NRFANRHFSA-N 479.490 -0.257 50 20 JBGD O=C(Cc1cc(F)ccc1F)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1840810438 XNFPHRVKFPXLTO-HSZRJFAPSA-N 474.269 -0.043 50 20 JBGD CN(CC(=O)N1CCCC12CN(C(=O)Cn1ccncc1=O)C2)NC(=O)NCc1ccccc1 1845039339 GCXPUVAQXNADPO-UHFFFAOYSA-N 467.530 -0.207 50 20 JBGD CC(C)(C)OC(=O)N1CC2(CC(C(=O)N3CCCC34CN(C(=O)c3ccc(B(O)O)cc3)C4)=NO2)C1 1846123233 VCTXPDLFRFUMGU-UHFFFAOYSA-N 498.345 -0.051 50 20 JBGD CC(C)(C)OC(=O)N[C@H](CCO)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cccc(B(O)O)c1 1847639456 MSHDMQBNEHYOEN-SQNIBIBYSA-N 461.324 -0.543 50 20 JBGD O=C(COC(=O)CNC(=O)c1ccc2c(c1)OCO2)NNC(=O)[C@H]1COc2ccccc2O1 802192009 RJLDZHIACWWBBQ-QGZVFWFLSA-N 457.395 -0.324 50 20 JBGD COC(=O)c1cc(Br)ccc1S(=O)(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 919960895 IZEZHXMMKSVPKO-SECBINFHSA-N 470.323 -0.085 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccnc1C(N)=O)C2 1782209049 ILNJXHYBPWXSKW-OPAMFIHVSA-N 460.535 -0.319 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)[C@@H]3Cc4[nH]nc(C(F)(F)F)c4C3)C2)C1 1782845492 IRDVORWUTHTOCH-LHSJRXKWSA-N 492.263 -0.033 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(C(N)=O)cc3)C2)C1 1784929701 ZFTHUNFHYGWXLX-JOCHJYFZSA-N 452.471 -0.459 50 20 JBGD C[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1)[C@@H]1SC(=N)NC1=O 1788610180 IJURIDRHCUQXLJ-DKDKVSGOSA-N 489.558 -0.919 50 20 JBGD C[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1800744226 HGWXDLRCZDTYLT-ALOBAPJISA-N 495.341 -0.116 50 20 JBGD O=C(NC[C@@H]1CCN(C(=O)COc2cccnn2)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807367211 JYSPYFLWTLXCEK-AVRDEDQJSA-N 461.287 -0.050 50 20 JBGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1)c1cc(=O)nc2cccnn12 1811336448 RWGQKYHGKXERJS-MBSDFSHPSA-N 498.308 -0.202 50 20 JBGD CCNC(=S)NCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)CCC(=O)NN(C)C)CC2 1824510237 WKZHQUIFFITEER-LLVKDONJSA-N 455.610 -0.088 50 20 JBGD O=C([C@H](O)CCl)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CN(Cc4ccccc4)CCO3)C2)C1 1830731115 HYPPVHKZDVZFIQ-QTEQDKRBSA-N 481.977 -0.057 50 20 JBGD CN1Cc2ccccc2C[C@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1832468867 SUDLTNLVSUAXIZ-JYFHCDHNSA-N 493.369 -0.507 50 20 JBGD COc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)ccn1 1835931145 HEGFPAYMPBXLCK-QFIPXVFZSA-N 455.276 -0.846 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)c3cccn4nccc34)C2)C1 1835932303 YLJYXFOPTJDLFC-QHCPKHFHSA-N 464.287 -0.602 50 20 JBGD CCc1noc(C)c1C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835938431 UYDMAFQDVGLBIP-QFIPXVFZSA-N 457.292 -0.391 50 20 JBGD Cc1nccnc1C(=O)NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1836012614 RJTLBQPIQNTZHQ-UHFFFAOYSA-N 451.336 -0.036 50 20 JBGD CN1N=C(C(=O)N2CCC(OC3CCN(C(=O)c4cccc(B(O)O)c4)CC3)CC2)CCC1=O 1837056503 JOLYWPSVSOAAGR-UHFFFAOYSA-N 470.335 -0.413 50 20 JBGD CC(C)n1cnc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)n1 1837457967 YYCMYGVHSXPRNV-OAQYLSRUSA-N 472.506 -0.759 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCC(OC2CCN(C(=O)c3cnc(O)nc3O)CC2)CC1 1837920331 MSSYZCVKFTYGLW-UHFFFAOYSA-N 470.291 -0.506 50 20 JBGD N=C(N)NCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](Br)Cc1ccccc1)CCO2 1839802136 MTLOSYHQKGPBLF-OXQOHEQNSA-N 482.379 -0.068 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1840185433 QPCLEFQHHXCCGO-GDBMZVCRSA-N 453.309 -0.494 50 20 JBGD C[C@@H]1CN(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3cccc([N+](=O)[O-])c3)CC2)C[C@@H](C)O1 106046030 PNTYPDCMORIFEO-HUUCEWRRSA-N 484.535 -0.673 50 20 JBGD CN(C)N(C(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1)[C@H]1CCS(=O)(=O)C1 728178101 BLXCNADMXJBKNZ-ZDUSSCGKSA-N 451.592 -0.196 50 20 JBGD CC(C)NS(=O)(=O)CCNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 746972590 KXVCKICBSRRFPF-UHFFFAOYSA-N 461.566 -0.257 50 20 JBGD CCOC(=O)c1c(S(=O)(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)n[nH]c1C 917720157 CZCAWMVRERLUIQ-UHFFFAOYSA-N 473.533 -0.167 50 20 JBGD CNC(=O)NNC(=O)C1CCN(S(=O)(=O)c2sc(C(=O)OC)c(C)c2C(=O)OC)CC1 919877997 YUQATQXMHKNEPC-UHFFFAOYSA-N 476.533 -0.009 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)c3cc4ncccn4n3)CCO2)C1 1779032533 RPILTOOHMXFSCS-OAQYLSRUSA-N 450.459 -0.515 50 20 JBGD CN(CC(=O)N1CC[C@]2(CN(C(=O)CNC(=O)N(C)C)CCO2)C1)NC(=O)NCc1ccccc1 1780968143 AXJVQKPJJHRNQP-HSZRJFAPSA-N 489.577 -0.566 50 20 JBGD CN(CC(=O)N1CC[C@@]2(C1)CN(C(=O)CN1CCNC1=N)CCO2)NC(=O)NCc1ccccc1 1780970666 ZOKGICOBEDJKHN-HSZRJFAPSA-N 486.577 -0.998 50 20 JBGD C[C@@H](Nc1cnccn1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1 1788610992 DLXVMWUDMVNTJI-BODMPHMZSA-N 468.518 -0.431 50 20 JBGD C[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1)N1C[C@H]2C[C@H]2C1 1788611395 ZFEICDHPGLMTTQ-RDOJUESESA-N 456.547 -0.381 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](N)CCC(N)=O 1795534292 QXPHRPKODJOLTM-AODNKKSCSA-N 477.474 -0.684 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](F)Cl 1796369789 FCHJWSXIWXIRJT-GGFUIZRSSA-N 450.895 -0.121 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cn2ccsc2n1 1797483461 FAHGEHBIBRDRCU-DRXBFXEBSA-N 455.500 -0.089 50 20 JBGD CN(CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cc[nH]n1)C2)NC(=O)NCc1ccccc1 1799097550 OMJBRXQZAUDHSE-OPMZPASUSA-N 469.546 -0.112 50 20 JBGD C[C@H](C(=O)N[C@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1)[C@@H]1SC(=N)NC1=O 1815340061 DAPFVXDRVJROEB-FMSQNYNMSA-N 487.372 -0.149 50 20 JBGD COC[C@@H](NC(C)=O)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815360815 OHDIBEXIOULRGI-GDBMZVCRSA-N 460.321 -0.800 50 20 JBGD CCS(=O)(=O)N[C@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)CCC(=O)NN(C)C)sc2C1 1826082853 GAAWPTXCQYSWHH-NEPJUHHUSA-N 474.609 -0.244 50 20 JBGD COc1ccc([C@H](O)C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)cc1 1830216476 DIYHYPLGDTZKIV-GBXCKJPGSA-N 499.524 -0.503 50 20 JBGD COc1ccsc1C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835931094 FYRPFDZSGZWSLU-NRFANRHFSA-N 460.317 -0.180 50 20 JBGD CC(C)n1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)n1 1838789304 CJFQQOZHBIGTIJ-OAQYLSRUSA-N 450.540 -0.093 50 20 JBGD CCOC(=O)N[C@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](F)Br)CCO2)C1 1839200177 HDLHVUJWFVGHDS-UEKVPHQBSA-N 456.265 -0.802 50 20 JBGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)CCN3CCN(C)CC3)C2)C1 1840032322 VLBMVZADZJLVJS-LPHOPBHVSA-N 461.401 -0.136 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c(c3)NC(=O)CO4)C2)C1 1840184492 QETFKSAZCCJITR-QHCPKHFHSA-N 489.529 -0.540 50 20 JBGD CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c1 26974430 NESRXCZVFCEBJO-KRWDZBQOSA-N 464.500 -0.134 50 20 JBGD COc1cc2c(cc1OC)[C@@H](CC(=O)NNC(=O)[C@@H]1CCN(C)C(=O)C1)N(S(C)(=O)=O)CC2 910848234 NKGJIZJGTODVNW-GDBMZVCRSA-N 482.559 -0.032 50 20 JBGD CC[C@H](NC(C)=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnccc2C(=O)NN)C1 1779371517 WVRDUUMNRVVPDH-NJNPRVFISA-N 460.535 -0.273 50 20 JBGD CN(CC(=O)N1CCO[C@]2(CCN(C(=O)CCS(C)(=O)=O)C2)C1)NC(=O)NCc1ccccc1 1784747073 PTJVVWIQRHLKFL-QFIPXVFZSA-N 495.602 -0.403 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CCn3c(=O)oc4ccccc43)C[C@@H]21)c1cccc(B(O)O)c1 1786982730 GFEGOPYNBFQDGD-JLMWRMLUSA-N 493.325 -0.042 50 20 JBGD CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(B(O)O)c1)C2 1793011136 ZILGUYGJYHYZLH-MHORFTMASA-N 461.324 -0.496 50 20 JBGD Cn1ncc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)c1C(F)(F)F 1794275663 TWQHHAXSNNQBOS-YWVIFJGQSA-N 466.225 -0.364 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2)c1ccc(B(O)O)cc1 1795734637 WRZITESSPLAGMJ-FAQVEIGNSA-N 476.298 -0.638 50 20 JBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccccc1C(=O)OCCO)C2 1797753145 VISZUUYIXXDHES-YVWYUNDQSA-N 497.508 -0.649 50 20 JBGD O=C1NCCCn2nc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)[C@H](F)Br)cc21 1799350394 YNLXBMIPDBBXPP-DJBIQUGXSA-N 458.288 -0.090 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1cc(O)cc([N+](=O)[O-])c1 1799730583 YCTSONOFWHXFCR-CCWDJLKJSA-N 455.232 -0.503 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1CCN(C(=O)CN2C(=O)CNC2=O)[C@H]1c1cccnc1 1808411102 YVKZEAIKRBEHMF-IRBZMGECSA-N 494.512 -0.227 50 20 JBGD O=C(CN1CCS(=O)(=O)CC1)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1815671094 CTBMLIHHOBYJGZ-SFHVURJKSA-N 489.363 -0.874 50 20 JBGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)COc2ccc(O)nn2)[nH]n1)c1ccc(B(O)O)cc1 1817475400 OTKHSZCQOCYGRR-INIZCTEOSA-N 466.263 -0.030 50 20 JBGD O=C(COC1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1830373576 CBMMZLRRZPMUBL-QHCPKHFHSA-N 460.336 -0.214 50 20 JBGD COC(=O)[C@@H]1CC[C@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)C1 1830716075 SQULVTNMJYJVLH-PXAQALGRSA-N 489.529 -0.656 50 20 JBGD O=C1COc2ccc(C(=O)N3CCOC[C@]4(C3)CN(C(=O)[C@@H](O)CCl)CCO4)cc2N1 1830731911 RWBUTBZUSJNHRS-YWZLYKJASA-N 453.879 -0.313 50 20 JBGD CO[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1832004116 PLIQGJBMWYGWQM-YUWJWYLASA-N 493.985 -0.029 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(CN(C(=O)c3coc(Cl)n3)CCO2)C1 1833556850 RQBGLZGFGMMSPP-LJQANCHMSA-N 464.866 -0.290 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3CCC(=O)N3)CCO2)C1 1835117342 DXIFFRGYCGSZLO-VFCRVFHLSA-N 488.969 -0.147 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)[C@H](F)Br)CC2)CC1)[C@H](O)N1CCOCC1 1835766680 MSMPSHIEJKUUJY-YJBOKZPZSA-N 465.364 -0.101 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)c3cnc(C(F)(F)F)cn3)C2)C1 1835928052 CJPWWACSRKPPKG-HXUWFJFHSA-N 494.235 -0.441 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)c3cnn4ccccc34)C2)C1 1835928391 NSQQGVUNRCMKNE-HSZRJFAPSA-N 464.287 -0.602 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)c3ccc(Cl)cn3)C2)C1 1835930578 NNOHIGAMRUULKU-NRFANRHFSA-N 459.695 -0.201 50 20 JBGD Cc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)cc1O 1835931959 JBFUFUVILQSNSF-QHCPKHFHSA-N 454.288 -0.236 50 20 JBGD O=C(CCN1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835936014 ZYSWNJKYASEGQU-QHCPKHFHSA-N 459.352 -0.688 50 20 JBGD O=C(C[C@H]1CNc2ccccc2O1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835938049 HCZQPLIVIWRIPQ-NBGIEHNGSA-N 495.341 -0.300 50 20 JBGD COc1cccc(C(=O)N2CCOC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)c1F 1835942155 ZCRCAZLMGJEBRJ-QHCPKHFHSA-N 472.278 -0.102 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc3n(n1)CCCO3)CCO2 1836972478 BHFCNAYYVKVQEB-OAQYLSRUSA-N 464.523 -0.891 50 20 JBGD O=C1COc2ccc(C(=O)N3CCO[C@]4(COCCN(C(=O)c5ccc(B(O)O)cc5)C4)C3)cc2N1 1836991981 JXARKSYGZOBGCW-DEOSSOPVSA-N 495.297 -0.919 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C3CCC(CO)CC3)C2)C1 1837455854 GASPZWZWFXZISQ-PVWAMWICSA-N 475.546 -0.446 50 20 JBGD CC(=O)NCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc([N+](=O)[O-])ccc1OC(C)=O)CCO2 1838528027 AOQVWYAAHGHCGV-OAQYLSRUSA-N 478.458 -0.274 50 20 JBGD Cc1cn(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](F)Br)CCO3)c(=O)nc1O 1839203334 IMYJVCIDJSTECP-SUMWQHHRSA-N 477.287 -0.596 50 20 JBGD C[C@@H](Oc1cccnc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1840453565 KIUIMEIJPMOEMQ-MWTRTKDXSA-N 484.513 -0.382 50 20 JBGD Cc1nc(S(=O)(=O)NCC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)cn1C 725877990 CIUUZHRPOLUYID-UHFFFAOYSA-N 484.560 -0.747 50 20 JBGD COc1ccc(NCC(=O)NNC(=O)CNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc1 825541807 BBPIVKVZUJZLQE-UHFFFAOYSA-N 463.516 -0.065 50 20 JBGD CC(=O)c1ccc(S(=O)(=O)NCC(=O)NNC(=O)c2csc(N3CCOCC3)n2)cc1 912852050 GBRMEFBXKHHTQD-UHFFFAOYSA-N 467.529 -0.078 50 20 JBGD C[C@@H](C(=O)N1CC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1)N1CSCSC1 1779146532 SUHUGAIHMWHMBK-YWZLYKJASA-N 465.406 -0.147 50 20 JBGD Cn1cc(C(=O)N2CC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)c(C(F)(F)F)n1 1779542331 KKZWRHZYJFEQAE-IBGZPJMESA-N 466.225 -0.124 50 20 JBGD CC(=O)N[C@@H](Cc1cccc(F)c1)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1785454078 JJMFCVHTVCFMHP-DHLKQENFSA-N 497.332 -0.304 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCc3cncnc3)[C@H]2C1 1787043427 QUWBULZBLLMULM-SNRMKQJTSA-N 453.503 -0.299 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CSc3ncccn3)[C@H]2C1 1787074552 RVDPNSRLQOUDKH-JQFCIGGWSA-N 471.543 -0.139 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)n3cnnn3)C[C@@H]21 1787508113 GWXURWYCLPZBHG-RPRPFZMQSA-N 457.495 -0.652 50 20 JBGD Cc1cc2nnc(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)c5cnccc5C(=O)NN)C[C@@H]43)c(C)n2n1 1787910446 BLLUTFXJKQENSN-WBAXXEDZSA-N 493.528 -0.353 50 20 JBGD C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1792257980 RLKIFAFXTFASPQ-VMXMFDLUSA-N 499.373 -0.124 50 20 JBGD COc1cc(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)ccn1 1795732718 CQRUKNWLWAHLIR-OPMZPASUSA-N 453.304 -0.394 50 20 JBGD CC(C)(C)OC(=O)N1CC(F)(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)C1 1795740652 DMFPXERWGFYHCX-ALXJQNPVSA-N 491.325 -0.471 50 20 JBGD C[C@H](NC(=O)c1cnccn1)C(=O)N1CCC2(CCCN(C(=O)c3ccc(B(O)O)cc3)C2)CC1 1809971318 RCQPFYQWKPPPIW-KRWDZBQOSA-N 479.346 -0.180 50 20 JBGD O=C(/C=C\C(=O)NC1CC1)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1810125977 ZEUPSFBRSYNERY-PPZUVTCZSA-N 462.315 -0.084 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(CN(C(=O)C(=O)c3ccco3)CCO2)C1 1832664649 UNIFHSPRYUKQQD-OAQYLSRUSA-N 457.443 -0.769 50 20 JBGD C[C@H](Cn1cncn1)C(=O)NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1835808233 GKEJNIUHESYHSU-QGZVFWFLSA-N 468.367 -0.521 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cscn3)CCO2)C1 1836042108 OIUMAUZNPGZFMZ-HXUWFJFHSA-N 460.516 -0.546 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cc(C)cn3)CCO2)C1 1836198797 MZRLCZRNWPWNMQ-YALBQKEFSA-N 471.518 -0.218 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc4c(c3)CCO4)CCO2)C1 1839998958 ISNNGJRQYKDMRB-RUZDIDTESA-N 495.536 -0.067 50 20 JBGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)NC(=O)c3cnccn3)C2)C1 1840153544 SDLRDLRDWHLPCG-MDOVXXIYSA-N 469.926 -0.695 50 20 JBGD CCOc1cnc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)cn1 1840183779 ZGASTEIUJKYYKE-OAQYLSRUSA-N 464.523 -0.682 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccn4ccnc34)C2)C1 1840184505 RBRIEVCRBYCSEF-JOCHJYFZSA-N 458.519 -0.223 50 20 JBGD CC[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840185980 VEJUMNRFXSOHJU-RDTXWAMCSA-N 463.373 -0.011 50 20 JBGD O=C(NCCCN1CCCS1(=O)=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 726277202 ZTADSLHQDPMXNG-UHFFFAOYSA-N 473.577 -0.159 50 20 JBGD O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NNC(=O)N[C@H]1CCS(=O)(=O)C1 919884304 HSZZXQDYZDNKOQ-ZDUSSCGKSA-N 471.561 -0.197 50 20 JBGD Cc1c(/C=C(/C#N)C(=O)N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)cc(C#N)n1C 919986576 IVKDBKIMKWUCQP-VUZIPCMWSA-N 465.557 -0.227 50 20 JBGD COc1cc(C=NNC(=O)N[C@H]2CCS(=O)(=O)C2)ccc1OCC(=O)N1CCOCC1 920379935 CPLUFVZIBZQGHT-HNNXBMFYSA-N 454.505 -0.247 50 20 JBGD CN(CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C2=NNC(=O)C2)C1)NC(=O)NCc1ccccc1 1779310717 RFATWBNTNXECDN-NTKDMRAZSA-N 499.572 -0.278 50 20 JBGD CC(=O)N[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN(C)NC(=O)NCc3ccccc3)C[C@@H]21 1790868480 UFZCOSZBMXNSSX-SEVLPDGMSA-N 488.589 -0.163 50 20 JBGD CN(CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)C(=O)c1ccccc1 1793227344 DERVKSDVFBVCPK-HATOLVCRSA-N 465.315 -0.658 50 20 JBGD COC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2 1796395045 PSDVJBPNIWWDEP-RCJHGTSTSA-N 485.582 -0.511 50 20 JBGD COc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)c(O)c1OC 1801012512 MFOBLFVTUBRHRG-HBCWATKFSA-N 464.519 -0.014 50 20 JBGD CC[C@@H](NC(C)=O)C(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807366281 SQMUHIYEYQXWGB-HMXCVIKNSA-N 452.320 -0.004 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1CCN(C(=O)[C@H]2CCC(=O)NC2)[C@@H]1c1cccnc1 1810294254 IXKMKXOYFWAZSY-TWOQFEAHSA-N 465.514 -0.074 50 20 JBGD O=C(CS(=O)(=O)N1CCCC1)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1818108537 JBJOBQITUVQIGQ-GOSISDBHSA-N 489.363 -0.179 50 20 JBGD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830728990 ZQWZPPZPIHCVDH-LAUBAEHRSA-N 464.906 -0.165 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCC(=O)N3)C2)C1 1832549461 PWYSHJSHEKCYIQ-WIEQDCTASA-N 488.969 -0.147 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(N(C)C)cn1)CCO2 1833649372 NGDDDQKXYCUWDF-JOCHJYFZSA-N 462.551 -0.409 50 20 JBGD Cc1ncc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)cn1 1833813449 HQEJSHTZZUHMHO-OAQYLSRUSA-N 455.475 -0.833 50 20 JBGD C/C(=C/C(=O)N1CCC(N2CCC(NC(=O)c3cnccc3C(=O)NN)CC2)CC1)C(=O)O 1835737267 CFRXTVYPXYWKIJ-OWBHPGMISA-N 458.519 -0.099 50 20 JBGD CC[C@H](NC)C(=O)N1CCO[C@]2(COCCN(C(=O)CN(C)NC(=O)NCc3ccccc3)C2)C1 1835913319 YNBCGCKCVCDLBS-RDPSFJRHSA-N 490.605 -0.213 50 20 JBGD O=C(c1cnc(Cl)nc1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835926406 MPEDIQTVABWUOH-HXUWFJFHSA-N 460.683 -0.806 50 20 JBGD C[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835940025 TUKXNOLZMRJUQB-UGSOOPFHSA-N 455.114 -0.780 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ccc[nH]3)C2)C1 1837457529 IHWIKOJSTPSLDY-QFIPXVFZSA-N 456.503 -0.284 50 20 JBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)C2)C1 1840151364 ZKQQZGWLMDUARP-GCKMJXCFSA-N 493.985 -0.028 50 20 JBGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=O)c3cc(C)on3)C2)C1 1840153515 QNMRGUQYSBVGGH-KUHUBIRLSA-N 458.899 -0.577 50 20 JBGD C[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1)n1cccc1C=O 1840183913 HTZDJWZGPWLTTK-JTSKRJEESA-N 463.535 -0.309 50 20 JBGD Cc1nc(N)sc1C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840184175 WPYIUIZBCFTPRU-LJQANCHMSA-N 454.553 -0.523 50 20 JBGD Cc1ncc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)s1 1840399424 NGOFMZLFXQTSBF-NRFANRHFSA-N 459.333 -0.556 50 20 JBGD CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)OCC(=O)NNC(=O)c2cccs2)c1 10773546 OQLHNZCAGSMXHC-UHFFFAOYSA-N 470.529 -0.055 50 20 JBGD CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 729275017 JOHJCLRYQDRNSM-JSGCOSHPSA-N 466.607 -0.520 50 20 JBGD O=C1CN(S(=O)(=O)c2cccc(C(=O)NNC(=O)CNC(=O)c3cccs3)c2)CCN1 751208530 GGOWAAPVZUTSGT-UHFFFAOYSA-N 465.513 -0.940 50 20 JBGD O=C(COC(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)NNC(=O)[C@@H]1COc2ccccc2O1 794505299 QXXWDBULIRBCOV-MHECFPHRSA-N 494.460 -0.090 50 20 JBGD NC(=O)c1cccc(CNC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c1 916480154 HEBMMBPFBQKNAJ-UHFFFAOYSA-N 461.500 -0.049 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc4nc(CO)[nH]c4c3)C2)C1 1777703955 KFMLECSDOBZEFV-QHCPKHFHSA-N 479.497 -0.189 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@]2(CN(C(=O)CN3C(=O)CNC3=O)CCO2)C1 1780094952 AUHNDTXOBBIAJI-NRFANRHFSA-N 489.441 -0.485 50 20 JBGD CC(C)NC(=O)OC(C)(C)C(=O)N1CC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1781020078 YOYFOEAUJUUMOB-QFIPXVFZSA-N 461.324 -0.277 50 20 JBGD C[C@](Cl)(CCl)C(=O)N1CC[C@@]2(CN(C(=O)CN3CCS(=O)(=O)CC3)CCO2)C1 1781224182 ILZJNIJBZHUDMW-DLBZAZTESA-N 456.392 -0.217 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CNC(=O)C(F)(F)F)C1 1782238252 GENCYGCEQPHLDO-AUUYWEPGSA-N 486.451 -0.509 50 20 JBGD CC(C)(C)OC(=O)NCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786981991 KYDWZWBMJTUMKP-WDSOQIARSA-N 475.351 -0.126 50 20 JBGD O=C(/C=C/C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1)NCc1ccccc1 1786983263 KMBNJJIKPYZSNR-MEXNOBTMSA-N 491.353 -0.168 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1n[nH]c2c1CCCC2 1787313753 DRILAUQHGZWKGO-QSFXBCCZSA-N 452.320 -0.125 50 20 JBGD O=C(CN1CCS(=O)(=O)CC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCBr)C2 1793836144 SVZWZEPIMQQOCZ-YWVIFJGQSA-N 452.371 -0.909 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(-n3ccnc3)ccn1)C2)c1cccc(B(O)O)c1 1795740377 ZNGNRKBHTFYHMV-UPHUGPLXSA-N 461.287 -0.536 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnn2ncccc12 1796277290 CQBSFKUSFUIEKR-IVWMJMPLSA-N 450.459 -0.755 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](N)c1ccccn1)C2 1796440564 RJQXITBAPUSYSA-KZBKYCETSA-N 453.503 -0.195 50 20 JBGD CC(=O)OC[C@H](OC(C)=O)C(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807361743 UCQIUKSQURJKIM-ILWGZMRPSA-N 497.313 -0.424 50 20 JBGD O=C(NC[C@@H]1CCN(C(=O)c2cc3n(n2)CCNC3=O)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807370346 AVPLEXKSKVDPAA-LAUBAEHRSA-N 488.313 -0.665 50 20 JBGD COC[C@H](NC(C)=O)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cnccc3C(=O)NN)sc2C1 1819798045 RWRJVSJVIFRSEW-ABAIWWIYSA-N 475.531 -0.482 50 20 JBGD NNC(=O)c1ccncc1C(=O)N[C@H]1CCc2nc(NC(=O)Cn3ccncc3=O)sc2C1 1824535808 CTKNUANYEDASEW-NSHDSACASA-N 468.499 -0.376 50 20 JBGD O=C(CNCP(=O)(O)O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827051478 YZVDGTSTCUZKBT-GOSISDBHSA-N 467.268 -0.676 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)c1cccnc1Cl)CCO2 1829495034 IOLZOOQPOQXTMU-NRFANRHFSA-N 459.695 -0.201 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)c1cnc(Cl)nc1)CCO2 1829517462 TZAIJEGZBRFYGZ-FQEVSTJZSA-N 460.683 -0.806 50 20 JBGD CN(CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2)C(=O)c1ccccc1 1830726680 SWYMJHWOYXNLKF-UWJYYQICSA-N 453.923 -0.185 50 20 JBGD CC[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCS(=O)(=O)CC3)CCO2)C1 1832488358 ZJYFSSABZFGPIP-CRAIPNDOSA-N 496.424 -0.653 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CNC(=O)C3)C2)C1 1832551481 PGZJGYLNHILJQU-GXZWQRSESA-N 488.969 -0.289 50 20 JBGD COc1ncccc1C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835929406 OFIXPIAPIVKSJL-QFIPXVFZSA-N 455.276 -0.846 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)[C@@H]3ON=C(c4ccccc4)O3)C2)C1 1835930219 CVVVERWKYIERCZ-BJKOFHAPSA-N 495.297 -0.829 50 20 JBGD Cc1ccc(C(=O)C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)cc1 1835931753 AYLWYQQMUZSNBJ-XMMPIXPASA-N 466.299 -0.372 50 20 JBGD Cc1nc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)cs1 1835935674 YXQLNFDWOQNHAE-OAQYLSRUSA-N 459.333 -0.556 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)c3ccc4[nH]ccc4n3)C2)C1 1835936765 BSWJZEODLMFHPW-QHCPKHFHSA-N 464.287 -0.374 50 20 JBGD COc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)ccc1O 1835939151 GWBYYFVUIJMESX-HSZRJFAPSA-N 470.287 -0.536 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCC(N2CCC(NC(=O)c3cc(CO)on3)CC2)CC1 1836189443 UBNRPUVRCNBAER-UHFFFAOYSA-N 450.540 -0.275 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc4ncccn4n3)CCO2)C1 1836871659 DTCPRCXJGDHFLD-QFIPXVFZSA-N 480.485 -0.888 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCC(OC2CCN(C(=O)[C@H]3CNC(=O)C3)CC2)CC1 1838394697 OLBPAPHJABWGFV-CQSZACIVSA-N 458.519 -0.567 50 20 JBGD C[C@@H](NC=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](CCl)NC(=O)OC(C)(C)C)C2)C1 1839158132 FPQJQEREVJCVNS-SIFCLUCFSA-N 476.958 -0.291 50 20 JBGD CCNC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](F)Br)CCO2)C1 1839200465 LKEAUNZUXKYRBK-BFQNTYOBSA-N 453.309 -0.159 50 20 JBGD C[C@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3ccncc3=O)CCO2)C1 1839662600 VTJIXQKZBHMUFW-KDOFPFPSSA-N 457.325 -0.269 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4n(n3)CCCC4)C2)C1 1840184623 YEDSJURKIMGMEF-JOCHJYFZSA-N 462.551 -0.338 50 20 JBGD C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(S(=O)(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc2)C1 728510526 MHVUIJARURYZLR-MGPQQGTHSA-N 496.633 -0.400 50 20 JBGD CN(C)S(=O)(=O)c1ccc(S(=O)(=O)NNC(=O)C2CCN(c3ncccn3)CC2)cc1 728856615 YFJSYKRQPDFNSO-UHFFFAOYSA-N 468.561 -0.047 50 20 JBGD C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c2)C[C@@H](C)O1 729276190 YTGJUIAKJHKPRL-XQQFMLRXSA-N 462.550 -0.817 50 20 JBGD Cc1noc(C)c1S(=O)(=O)NCC(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 771809777 CCNHRZBEVKOASI-UHFFFAOYSA-N 459.506 -0.719 50 20 JBGD COCCOCCOCCOCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](O)CCl)C2 1782069264 KFNLMAVIJVXCIC-DBXWQHBBSA-N 480.986 -0.204 50 20 JBGD CC[C@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)CN3CCS(=O)(=O)CC3)CCO2)C1 1783342403 ISGXBFRPSCGXON-WMLDXEAASA-N 466.398 -0.280 50 20 JBGD O=C1CC[C@@H](C(=O)N2CSC[C@@H]2C(=O)N2CCO[C@]3(CCN(C(=O)C(Cl)Cl)C3)C2)N1 1783949282 IWEFRZITZUFNCZ-IUUKEHGRSA-N 479.386 -0.200 50 20 JBGD COC(=O)[C@H]1CCC[C@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)C1 1786986433 AUKMGNVGNPFWIU-OEUJLIAZSA-N 472.347 -0.061 50 20 JBGD CN1CCN(C2(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)c5cnccc5C(=O)NN)[C@H]4C3)CC2)CC1 1788610217 PZPMSIJQMMNYTA-VDGAXYAQSA-N 485.589 -0.942 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nc4ccc(F)cn4n3)[C@H]2C1 1790529551 DSKVFQCKOPDWTO-ZLIFDBKOSA-N 482.476 -0.226 50 20 JBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](CCN)NC(=O)OC(C)(C)C 1795584782 SFPOZSQVFYSSRZ-YYAJDYIMSA-N 484.598 -0.809 50 20 JBGD Cc1ccn2c(=O)c(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)c3ccc(B(O)O)cc3)C4)cnc2c1 1797066747 LBWRITUMKZOOKW-UPHUGPLXSA-N 476.298 -0.800 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2c(c1)CC(=O)N2 1797330083 OUCSCAKIRFRUNS-YVWYUNDQSA-N 464.482 -0.303 50 20 JBGD C[C@@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnccc1C(=O)NN)[C@@H]1SC(=N)NC1=O 1798440413 NIQBTWURXGVQKB-OVKLUEDNSA-N 459.532 -0.261 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@@](C)(O)CC(=O)O 1801003272 FMUMVPILYLOHID-WDEWNGFBSA-N 463.491 -0.674 50 20 JBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@]1(NC(=O)OC(C)(C)C)CCOC1)C2 1801012420 FHALDODTGOERCH-KOCGSJPCSA-N 497.593 -0.367 50 20 JBGD COC(=O)CSCC(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807365991 REEZZODDZJZMKW-DYESRHJHSA-N 471.344 -0.013 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1COc3ccccc3O1)CCO2 1832498242 CXVMKORQCRJSTK-WMZHIEFXSA-N 476.530 -0.344 50 20 JBGD CN(CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ncccn1)CCO2)NC(=O)NCc1ccccc1 1834296219 WZRKTRAQXJAQTD-DEOSSOPVSA-N 497.556 -0.107 50 20 JBGD O=C(c1cnn(-c2cccnc2)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835935018 BWEGUKFVJCVVEQ-XMMPIXPASA-N 491.313 -0.669 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc3cccnc3n1)CCO2 1836831432 SAGZTPUJVSZAPY-DEOSSOPVSA-N 476.298 -0.307 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cnc[nH]3)C2)C1 1837456909 PPXVGWQHOYRPFF-OAQYLSRUSA-N 457.491 -0.889 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(F)nc3F)C2)C1 1837457143 YGBISUHSLPILFS-OAQYLSRUSA-N 476.440 -0.258 50 20 JBGD CC(=O)Nc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)cc1O 1839474283 SSDORXOKJHAPFW-QHCPKHFHSA-N 491.545 -0.206 50 20 JBGD C[C@@H](Oc1ccccn1)C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840185284 NIKMJUBJDGOQGG-VGSWGCGISA-N 463.535 -0.322 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC2(CCCN2C(=O)c2cc(=O)n3[nH]cnc3n2)C1 1843008730 OUQXZRBAXRJMFT-BRJLIKDPSA-N 451.447 -0.631 50 20 JBGD CS(=O)(=O)NCCc1ccc(C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)s1 805738002 KUUYTKUYNGNJRV-OAHLLOKOSA-N 483.524 -0.016 50 20 JBGD CC(C)Cn1cnc2c1c(=O)n(CC(=O)NNC(=O)NCC(=O)N(C)C)c(=O)n2Cc1ccccc1 915913496 SKLHGMXGDFSCML-UHFFFAOYSA-N 498.544 -0.517 50 20 JBGD O=C(COC(=O)CCNS(=O)(=O)c1ccc(Cl)nc1)NNC(=O)[C@@H]1COc2ccccc2O1 928978449 JNVGSSLQLYTHHG-HNNXBMFYSA-N 498.901 -0.066 50 20 JBGD CN(CC(=O)N1CC[C@]2(C1)CN(C(=O)C1=NNC(=O)C1)CCO2)NC(=O)NCc1ccccc1 1780968581 NWYFRBOYAPOZRG-QFIPXVFZSA-N 471.518 -0.962 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)C(F)(F)C(F)(F)C(=O)O)CCO2 1783933503 MKJRPKWSMHYYIS-HNNXBMFYSA-N 456.393 -0.456 50 20 JBGD COC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783934224 CSWNFQJUCAZIOY-AOMKIAJQSA-N 485.582 -0.271 50 20 JBGD COc1cccnc1CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1785241604 XYUOMCONRCDSOV-JLMWRMLUSA-N 467.331 -0.004 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(N3CCOCC3)cn1)C2)c1cccc(B(O)O)c1 1795737186 BMRIRGODPHESBV-OPMZPASUSA-N 480.330 -0.885 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1n[nH]c2cccc(F)c12 1800075857 HCVASBYVTGWTIH-HBCWATKFSA-N 452.251 -0.101 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)CN(C)C(=O)C(=O)O)[C@@H]1c1cccnc1 1812394173 ZGRQJEGNSMYTFT-KXBFYZLASA-N 462.507 -0.997 50 20 JBGD CN1CCN(CC(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cnccc3C(=O)NN)n[nH]2)CC1 1819403187 XBYWGSGGSNDJAI-SFHVURJKSA-N 469.550 -0.039 50 20 JBGD COC[C@H](NC(C)=O)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827052297 SUMVBUFWJCCZMZ-SFTDATJTSA-N 459.352 -0.249 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)CC2)CC1)[C@@H](O)CCl 1833312104 JQICGPYPCWTNAQ-KRWDZBQOSA-N 469.926 -0.072 50 20 JBGD Cc1[nH]nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)c1F 1833671081 IEACNQVYGXFEFJ-HXUWFJFHSA-N 461.454 -0.760 50 20 JBGD C=CC(=O)N[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3cnccc3C(=O)NN)CC2)CC1 1835737870 JYXFCKQVTQSVOY-OAHLLOKOSA-N 471.562 -0.439 50 20 JBGD Cc1cncc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)c1 1835935255 KJJKSDPZMZCZJU-DEOSSOPVSA-N 467.331 -0.227 50 20 JBGD O=C(C#CC1(O)CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835938222 QUNNGKUXELCBAC-XMMPIXPASA-N 470.331 -0.865 50 20 JBGD CCOC(CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnccc1C(=O)NN)CCO2)OCC 1837460378 FAOQKVAFVVHFIT-QFIPXVFZSA-N 479.534 -0.456 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837490383 BGZMJEVWSDWYBD-DEOSSOPVSA-N 485.541 -0.546 50 20 JBGD Cc1ccc(=O)n(C(C)(C)C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)n1 1837655922 GHKIZXXRISDXJL-YWZLYKJASA-N 456.927 -0.657 50 20 JBGD CN1CCN(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)CO[Si](C)(C)C)CCO3)CC1 1837711801 QSLOSOXMKJDMOC-NRFANRHFSA-N 456.660 -0.068 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCC(OC2CCN(C(=O)[C@@H](O)N3CCOCC3)CC2)CC1 1838404279 DSDPLAFSDQTPRY-JOCHJYFZSA-N 469.583 -0.991 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCC(=O)N3)C2)C1 1838528246 MQGHRBVBAIRSLH-HTAPYJJXSA-N 490.469 -0.131 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840043325 SGOFWFXCGUQNGD-OAQYLSRUSA-N 475.410 -0.322 50 20 JBGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(CS(C)(=O)=O)nc3)C2)C1 1840151647 JOMPGDJZUHHYRN-XLIONFOSSA-N 489.978 -0.050 50 20 JBGD C[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)C[C@@](C)(O)CC(=O)O)CCO2)C1 1840182105 WPIIZWIPIPZWCG-JCURWCKSSA-N 451.314 -0.158 50 20 JBGD Cc1ccc(C(=O)NCC(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)cc1 1840904203 GHXGCUCADMOHNE-RUZDIDTESA-N 495.341 -0.825 50 20 JBGD O=C(CCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)NNC(=O)C(=O)NC1CC1 10215844 ONPUPSVBLFNMNO-UHFFFAOYSA-N 485.950 -0.621 50 20 JBGD CC(=O)N[C@@H](C)C(=O)NNC(=O)Cn1c(=O)c2c(ncn2CC(C)C)n(Cc2ccccc2)c1=O 25402159 GVLKFFWLTXKIJY-HNNXBMFYSA-N 483.529 -0.264 50 20 JBGD Cc1ncc(S(=O)(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)[nH]1 727352625 JGLIBVQTUXLQSC-UHFFFAOYSA-N 457.534 -0.319 50 20 JBGD NC(=O)[C@@H]1CC(C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)=NN1c1ccc(F)cc1 728314323 NZNQNKRJZSTUJZ-YJBOKZPZSA-N 485.428 -0.224 50 20 JBGD C=CC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)CN(C)NC(=O)NCc3ccccc3)C2)C1 1780967892 BJHRHPXVXYAHRT-HOYKHHGWSA-N 486.573 -0.147 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)CCO2 1783934747 LTHXLSOWIFYHNY-AOMKIAJQSA-N 485.582 -0.535 50 20 JBGD Cc1nn(C)c(C)c1CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786981848 CGYXFSOAIOJPCC-YYWHXJBOSA-N 454.336 -0.447 50 20 JBGD COC(=O)NCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN(C)NC(=O)NCc3ccccc3)C[C@@H]21 1791476154 CCCLJQQWQFCIFB-FHWLQOOXSA-N 490.561 -0.332 50 20 JBGD CC(=O)Nc1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)n1 1794279037 YZTXXSNAESCXLK-CWPLJXCYSA-N 452.276 -0.763 50 20 JBGD Cc1ccn2c(=O)c(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)c3ccc(B(O)O)cc3)cnc2c1 1795734437 PCIMWYJCMHHNKD-UPHUGPLXSA-N 476.298 -0.800 50 20 JBGD COCCn1nccc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797750486 BIRXKNSWXZUWJP-ZSBFGKGUSA-N 457.491 -0.955 50 20 JBGD CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1801963757 RRDMGKLOISDOPK-UKBAYJJMSA-N 475.351 -0.127 50 20 JBGD C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1802481198 HIJDVCWIJRDVEN-JGYOEJGDSA-N 462.315 -0.061 50 20 JBGD CN1CCN(CC(=O)NC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)CC1 1809601301 KSZBJFGYFISKHT-NZQKXSOJSA-N 465.363 -0.672 50 20 JBGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)CCO2 1830885882 MPLOUGAYFGPTRD-MRUHUIDDSA-N 493.985 -0.028 50 20 JBGD CC(C)(C)OC(=O)NCCOCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1831133326 WGRPRXUKEDYFLG-IIBYNOLFSA-N 493.985 -0.026 50 20 JBGD CC(C)(C)OC(=O)CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1831989992 QOOZTJKGUCCOOO-JOCHJYFZSA-N 462.308 -0.832 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)c3ncc(F)cc3F)C2)C1 1835927582 UJSDXDZHTVACIO-OAQYLSRUSA-N 461.230 -0.577 50 20 JBGD O=C(Cc1ccc2c(c1)OCO2)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835935448 FPRLBDIJSCSAEX-DEOSSOPVSA-N 482.298 -0.592 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4c3CCCC4)C2)C1 1835935976 YYUDNBDIOQMAGB-HSZRJFAPSA-N 468.319 -0.648 50 20 JBGD O=C(c1ccc2nccn2c1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835937140 QGZBKAFLTGASOB-HSZRJFAPSA-N 464.287 -0.602 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)c3cc(-c4ccccn4)[nH]n3)C2)C1 1835938014 GKUYDWRJTHIGBB-DEOSSOPVSA-N 491.313 -0.465 50 20 JBGD COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)c(C#N)c1 1835939349 NGOBLJHVLGBQJL-VWLOTQADSA-N 493.325 -0.441 50 20 JBGD COc1nccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)c1F 1836235784 AAEKPTJRDQBBJB-JOCHJYFZSA-N 473.266 -0.707 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1Cc3ccccc3O1)CCO2 1836647090 BJBGLIJOTICROW-QPPBQGQZSA-N 466.299 -0.560 50 20 JBGD NC[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1)c1ccccc1 1837457552 JDKBGBDKOHBXEU-CYFREDJKSA-N 482.541 -0.502 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCC(OC2CCN(C(=O)[C@H]3CCCS3(=O)=O)CC2)CC1 1837920116 LQTMJFJYTGGRNT-HXUWFJFHSA-N 478.376 -0.444 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccn(C(F)F)n1)CCO2 1838032994 AXURKWHHGODQNY-HXUWFJFHSA-N 464.234 -0.658 50 20 JBGD O=C(c1cc(=O)n2[nH]cnc2n1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839199325 NGQXBKYLMCDLMK-LRDDRELGSA-N 473.259 -0.822 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)c1cnn3cccc(F)c13)CCO2 1839618997 MVHROXTVRSQHBU-QHCPKHFHSA-N 482.277 -0.463 50 20 JBGD CC(C)(C)OC(=O)N[C@H](CCO)C(=O)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843012882 QCMNUNZYNSOIAG-QGZVFWFLSA-N 461.324 -0.541 50 20 JBGD C[C@H](NC(=O)c1cnccn1)C(=O)N1CC2(CCCN2C(=O)c2cnccc2C(=O)NN)C1 1844264664 VOHNFFSGXZHXOG-ZDUSSCGKSA-N 452.475 -0.889 50 20 JBGD CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NNC(=O)CN1CCCC1=O 751616095 BYGREBNIWLXTDL-AWEZNQCLSA-N 494.979 -0.809 50 20 JBGD COc1cc2c(cc1OC)[C@@H](CC(=O)NNC(=O)[C@H](C)NC(C)=O)N(S(C)(=O)=O)CC2 913161291 IAJCEUZUSRTTAM-XHDPSFHLSA-N 456.521 -0.375 50 20 JBGD O=C(/C=C/C(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2)NCc1ccco1 1779206528 BSPHKVRWLBVIED-MNQSQUENSA-N 467.287 -0.725 50 20 JBGD C[C@H]1Oc2ccc(C(=O)N3CC[C@@]4(CN(C(=O)c5cccc(B(O)O)c5)CCO4)C3)cc2NC1=O 1780176137 IHPYSXQGMGKIEU-MYYSRTQBSA-N 479.298 -0.157 50 20 JBGD CC[C@@H](NC(N)=O)C(=O)N1CCO[C@@]2(CCN(C(=O)CN(C)NC(=O)NCc3ccccc3)C2)C1 1780969419 GLSYAJQOHAJMCY-WZONZLPQSA-N 489.577 -0.391 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2 1781047459 KTKMUIWIPYTBEP-HFJQGTKSSA-N 491.350 -0.663 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)c3cccc(-n4cncn4)c3)C2)C1 1782014397 LATXVBAYBZEEPL-HSZRJFAPSA-N 461.287 -0.296 50 20 JBGD C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1783707538 KQUHQNCRWURHKE-QRQCRPRQSA-N 461.324 -0.277 50 20 JBGD CC(C)(C)OC(=O)NC(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795732944 RRLNMGSTLRCJQM-ALXJQNPVSA-N 475.351 -0.127 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc(C)c(C)[nH]c1=O)C2 1796440858 CCHYSTVOZRFPLS-XWUQVXLGSA-N 469.502 -0.276 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@H](CNC(=O)[C@H]2CCC(=O)N2)[C@H]1c1cccnc1 1806821205 RKGUOJMPKBKWDF-POZUXBRTSA-N 451.487 -0.322 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)CN2CCS(=O)(=O)CC2)[C@H]1c1cccnc1 1813070781 LWGJRGDJWNHNEU-GCJKJVERSA-N 494.618 -0.809 50 20 JBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1CCc2nc(NC(=O)[C@H]3CCCS3(=O)=O)sc2C1 1824933504 FGKAILMYWNVNBN-MEBBXXQBSA-N 478.556 -0.055 50 20 JBGD CCOC(=O)N[C@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)CBr)CCO2)C1 1830539283 GAQZPDAAFHMJIL-XNJGSVPQSA-N 466.329 -0.462 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)c1cc(O)nc(Cl)c1)CCO2 1833576537 PTYKSBZHLZWFFA-NRFANRHFSA-N 475.694 -0.496 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)c3cccc(O)n3)CC2)CC1)c1cccc(B(O)O)c1 1834801227 VHKKKXMNMMHETA-UHFFFAOYSA-N 452.320 -0.034 50 20 JBGD CNCCCC(=O)N1CCO[C@]2(COCCN(C(=O)CN(C)NC(=O)NCc3ccccc3)C2)C1 1835663312 ZFDWAHCZOKMFQM-XMMPIXPASA-N 490.605 -0.211 50 20 JBGD COc1ccccc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835939437 QQKODUJZWJTVAD-HSZRJFAPSA-N 454.288 -0.241 50 20 JBGD CC(=O)N1CCN(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)CBr)C3)C2)CC1 1836764649 QCLUMCMIFYHBRN-UZLBHIALSA-N 489.411 -0.362 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(O)cn3)C2)C1 1837456761 NARRKGFUDZWEOU-OAQYLSRUSA-N 456.459 -0.831 50 20 JBGD CCc1noc(C)c1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1838059843 RNACBGFREPCYPC-QFIPXVFZSA-N 472.502 -0.072 50 20 JBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1 1840155724 HAKFNQHSNOFLOZ-LIRRHRJNSA-N 472.882 -0.533 50 20 JBGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](Cc1cnc[nH]1)NC(C)=O)CCO2 1840371873 GLBHZHHYQBMGRL-SQGPQFPESA-N 471.942 -0.833 50 20 JBGD CCC[C@H](NC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1840855769 TYEHSCUYBKYKFZ-LAUBAEHRSA-N 455.556 -0.879 50 20 JBGD O=C(COC(=O)CCN1C(=O)NC2(CCCC2)C1=O)NNC(=O)[C@@H]1COc2ccccc2O1 918059106 SQYSPUJDCGZYIY-HNNXBMFYSA-N 460.443 -0.228 50 20 JBGD Cc1ccc(=O)n(C(C)(C)C(=O)N2CC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)n1 1779234228 CTFPJFKCJQESSU-QHCPKHFHSA-N 468.319 -0.890 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnccc2C(=O)NN)C1 1779375347 LCEQQIDGXHBZNL-VGOFRKELSA-N 475.550 -0.814 50 20 JBGD C[C@H](NC(=O)c1ccccn1)C(=O)N1CC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1782667842 IXLRCCLWFJYRPP-WNSKOXEYSA-N 481.513 -0.658 50 20 JBGD COC(=O)[C@H]1CCC[C@@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)C1 1791244604 WRTBGYKIVRLHNT-JOTVOLILSA-N 472.347 -0.061 50 20 JBGD COC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C[C@@H]21 1791258422 OBMHNFXALSJUEU-QXKUPLGCSA-N 490.985 -0.011 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCn3cncn3)[C@H]2C1 1791520579 BJCSHVZUINLWFY-GZERKGCBSA-N 456.507 -0.218 50 20 JBGD CC(C)(C)OC(=O)N1C[C@]2(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)[C@@H](O)CCl)C[C@H]1CO2 1792979120 VUTKMLAOWVCKAD-VLMUSUEPSA-N 473.954 -0.046 50 20 JBGD CC(C)(C)OC(=O)NCCOCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795739719 FOKGOMFIEGVCBA-XEMDLRDOSA-N 491.350 -0.889 50 20 JBGD CC(=O)NCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN(C)NC(=O)NCc1ccccc1 1799097692 UKPXVXOLXSRESI-HATOLVCRSA-N 474.562 -0.552 50 20 JBGD CN(C)C(=O)NCC(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1802677559 QQFUOGWEVNDYGI-FXAWDEMLSA-N 453.308 -0.648 50 20 JBGD O=C(NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1)c1nc2ncccn2n1 1809234164 VQMPQSNZENIDQM-MJGOQNOKSA-N 471.286 -0.168 50 20 JBGD C[C@H](CS(C)(=O)=O)C(=O)N1CCC2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)CC1 1809978121 VAYBPQGGXWZNFA-MRXNPFEDSA-N 450.366 -0.108 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1CCN(C(=O)CCc2nc(N)n[nH]2)[C@H]1c1cccnc1 1810303303 SZGHACZVJHOFJR-LIRRHRJNSA-N 478.517 -0.267 50 20 JBGD CN(C)C(=O)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](CCl)NC(=O)OC(C)(C)C)CCO2 1832549085 DOEJFVWZYJRALL-XOBRGWDASA-N 476.958 -0.337 50 20 JBGD Cc1noc(C)c1CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1832555470 KWHCUSMNSDGXOZ-QFIPXVFZSA-N 457.292 -0.716 50 20 JBGD C[C@@H](CS(C)(=O)=O)C(=O)N1CCC(OC2CCN(C(=O)c3cnccc3C(=O)NN)CC2)CC1 1836876993 OWWAFGYXAVSPOW-HNNXBMFYSA-N 495.602 -0.022 50 20 JBGD COC[C@H](Cl)C(=O)N1CCC(OC2CCN(C(=O)CN3CCS(=O)(=O)CC3)CC2)CC1 1837079297 PIWDQOHMVRAALU-SFHVURJKSA-N 480.027 -0.031 50 20 JBGD O=C1Nc2c(cccc2C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)C1=O 1837135439 HPHKKNUPDMWPHX-XOBRGWDASA-N 451.863 -0.509 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ccoc3)C2)C1 1837461605 ZOOJZZLQMNHSCX-QFIPXVFZSA-N 457.487 -0.019 50 20 JBGD Cn1ccc(CC(=O)N2CCC(OC3CCN(C(=O)c4ccc(B(O)O)cc4)CC3)CC2)n1 1837919320 GQGYKUGQJPPEEA-UHFFFAOYSA-N 454.336 -0.045 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCC(OC2CCN(C(=O)c3cc(O)nc(O)n3)CC2)CC1 1838081071 CRUNUOWRJGXHBO-UHFFFAOYSA-N 464.523 -0.127 50 20 JBGD CC[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)CN(C)C(=O)C(=O)O)CCO2)C1 1839704400 NRTBQUPAMKTDTA-SJKOYZFVSA-N 464.313 -0.841 50 20 JBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)C2)C1 1840155253 VGWGTBDOOVYNNI-VWKPWSFCSA-N 493.985 -0.028 50 20 JBGD COC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)c1cccc(B(O)O)c1)C2 1843382375 VRROSDWZRLBLMH-QGZVFWFLSA-N 461.324 -0.277 50 20 JBGD CCOC(=O)[C@@H]1CCCN(C(=O)CN(C)C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)C1 728944378 BJBADBOFJVLORU-OAHLLOKOSA-N 458.479 -0.250 50 20 JBGD CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NNC(=O)CN2CCCC2=O)o1 920435598 KQVHUJZDRTYIBL-GFCCVEGCSA-N 456.477 -0.621 50 20 JBGD O=C(NCC1CC1)NNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 920860176 KDIDDBBBIPPLFW-UHFFFAOYSA-N 467.548 -0.102 50 20 JBGD COC(=O)[C@@H]1CC[C@@H](C(=O)N2CCO[C@@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)C1 1779029386 RDFOATJYDJEYOT-DOQJBMMISA-N 459.503 -0.282 50 20 JBGD C[C@H](C(=O)N1CC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1)n1ccccc1=O 1779274789 ZPULECBSXWNWIP-IVZQSRNASA-N 454.487 -0.449 50 20 JBGD CC[C@@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cn1cnc3c1c(=O)n(C)c(=O)n3C)C2 1780700639 VNZHBWLAEBUZIG-DOQJBMMISA-N 494.980 -0.035 50 20 JBGD CN(CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1CCC(=O)NC1)CCO2)NC(=O)NCc1ccccc1 1780970362 WUIGFACVSKTHHZ-NTKDMRAZSA-N 486.573 -0.311 50 20 JBGD C[C@@H](CBr)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(=O)n4[nH]nnc4n3)[C@H]2C1 1787266015 GXOSHRRPPNUFMG-ZPFDUUQYSA-N 468.312 -0.563 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCN3CCOC3=O)[C@H]2C1 1788135601 WQEHKGJFEBHXDB-SMKMMKTPSA-N 474.518 -0.058 50 20 JBGD Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](O)CCl)cc1 1792975855 ZYYIYGCOZIMALB-HITLURFISA-N 473.979 -0.149 50 20 JBGD CN(CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ncn(C)n1)NC(=O)NCc1ccccc1 1794592249 DKWRRNMZYDANIN-IZZQQSIFSA-N 470.534 -0.636 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC1(O)CCCCC1 1797784204 PANZXUGDDYPYSY-CWPLJXCYSA-N 455.515 -0.413 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Br)C2)c1cc(=O)nc2cccnn12 1798498419 WJVATZRJQPZPFO-ANGCBRKESA-N 454.256 -0.017 50 20 JBGD C[C@@H](NC(=O)c1ccc(F)cc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C 1801012514 MJNURUMZKVLVCY-RACNMONISA-N 477.537 -0.093 50 20 JBGD CC(=O)N(C)CCC(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807362823 MHJCLPYIRAWEOL-SIKLNZKXSA-N 452.320 -0.051 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCC2(CCCN(C(=O)c3cc4n(n3)CCNC4=O)C2)CC1 1808819593 WFOYKGTUFUMWEG-UHFFFAOYSA-N 480.529 -0.216 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)CN2C(=O)C=CC2=O)[C@H]1c1cccnc1 1813178450 IFMZMIUICAJGRX-KSFYIVLOSA-N 456.503 -0.615 50 20 JBGD O=C(CS(=O)(=O)N1CCCC1)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1817272011 QVTSLEUKOXTJFL-HNNXBMFYSA-N 492.388 -0.526 50 20 JBGD CN1CCN(CC(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc(B(O)O)c3)n[nH]2)CC1 1817476665 YTUSSSZYWVOYNJ-LJQANCHMSA-N 454.340 -0.357 50 20 JBGD NCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cnccc1C(=O)NN)CCN2C(=O)OCc1ccccc1 1829134313 ZFOULEQOJDRHKH-XMMPIXPASA-N 495.540 -0.291 50 20 JBGD CCOC(=O)c1ncn2c1CC[C@H](C(=O)N1CCOC[C@@]3(C1)CN(C(=O)[C@@H](O)CCl)CCO3)C2 1830736711 WBWURNPLYNQKCA-GIMINZRKSA-N 498.964 -0.322 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3CNC(=O)O3)CCO2)C1 1831564005 RQQQMPGGXXZYBU-PJSUUKDQSA-N 490.941 -0.317 50 20 JBGD CCc1ncccc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1833514875 WUPQYGMTTSYXIN-QHCPKHFHSA-N 453.304 -0.292 50 20 JBGD CCn1nccc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1834414346 YYFZIGJNFABRCM-NRFANRHFSA-N 457.491 -0.715 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3Cl)C2)C1 1835930760 YOVSRXUAOMUESE-NRFANRHFSA-N 459.695 -0.201 50 20 JBGD Cc1ncncc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837458785 BTWKDFIVSFRWLC-NRFANRHFSA-N 455.475 -0.833 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)c1cncc3cnccc13)CCO2 1838462506 XSSSVICDDPMFRW-DEOSSOPVSA-N 476.298 -0.307 50 20 JBGD C[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1)N1CCN(C)CC1 1839105704 ITRAPPDAUNRHED-MPGHIAIKSA-N 465.364 -0.231 50 20 JBGD CN1CCN(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@](C)(Cl)CCl)CCO3)CC1 1839152865 MTVNSXFIWIDEFO-RTBURBONSA-N 451.395 -0.074 50 20 JBGD Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)cc2c[nH]nc12 1839510807 OGJQFGLHOYXLSJ-XMMPIXPASA-N 478.314 -0.065 50 20 JBGD O=C([C@H](O)CCl)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CC(c3ccccc3)=NN1)CCO2 1839633364 DZIUGHTYPPQJSH-UEXGIBASSA-N 450.923 -0.191 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)Cc3ccccc3)C2)C1 1840185089 KSTXIKXWBBFDPI-WMZHIEFXSA-N 462.547 -0.581 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)c3nc4ccc(F)cn4n3)CCO2)C1 1779037160 RISSOTIZVZFMTC-NRFANRHFSA-N 468.449 -0.376 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COc3cccnn3)C[C@@H]21 1788611452 YEMQFYADMAWCNH-JQFCIGGWSA-N 455.475 -0.853 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(OC(F)F)cn1)C2)c1cccc(B(O)O)c1 1795737289 PMOPRPNVWHDWQL-ZSBFGKGUSA-N 461.230 -0.120 50 20 JBGD CCNC(=O)N[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C(C)=N/NC(=O)c1ccc[nH]1 1796441942 JAGZPYFBIZSXOI-POGLLOKHSA-N 461.523 -0.582 50 20 JBGD CCNC(=S)NCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C(C)=N/NC(=O)c1ccc[nH]1 1796443846 NVPNBSAAZGALDY-LVTGYEAHSA-N 463.564 -0.806 50 20 JBGD Cn1ncc(Br)c1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1796751140 FYVCNJYRAAAVKZ-YWVIFJGQSA-N 477.124 -0.621 50 20 JBGD COc1ccc([N+](=O)[O-])c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)n1 1830728221 QNHJYKROUGYBIZ-UGSOOPFHSA-N 458.855 -0.332 50 20 JBGD COC(=O)[C@H]1CC[C@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)CC1 1832007899 FQDCAZMTRJDVIB-ROMRWMGNSA-N 488.346 -0.584 50 20 JBGD C[C@@](Cl)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCS(=O)(=O)CC3)CCO2)C1 1832487197 BFEGIJKQEABSOQ-QZTJIDSGSA-N 486.418 -0.591 50 20 JBGD O=C(/C=C/c1cccnc1)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1833098918 CPNPXWVPUBTTDT-BMOUEYTDSA-N 451.288 -0.455 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)c1cnn(-c3cccnc3)c1)CCO2 1833620784 YKKJBNLTMCKALG-DEOSSOPVSA-N 491.313 -0.669 50 20 JBGD NC[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1)c1ccccc1 1835928412 OFJMMQXQEZFATN-ZJSXRUAMSA-N 467.331 -0.821 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CNc4ccccc43)C2)C1 1835928765 YHTBFEDZDIDADR-HYBUGGRVSA-N 465.315 -0.354 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)[C@@H]3ON=C(c4ccccc4)O3)C2)C1 1835938069 IEEBFDLYRIRNPN-BJKOFHAPSA-N 495.297 -0.829 50 20 JBGD CS(=O)(=O)Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)cn1 1836378367 JUTUMDDLNXSONH-QFBILLFUSA-N 475.951 -0.704 50 20 JBGD NC(=O)c1nccnc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1838330531 JEMQSWQIFKHYRW-BLLLJJGKSA-N 460.260 -0.664 50 20 JBGD C[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3nccnc3C(N)=O)CCO2)C1 1838330909 NHSVHCZJDNTRPM-DIFFPNOSSA-N 456.297 -0.571 50 20 JBGD C[C@](Cl)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3C(=O)CNC3=O)C2)C1 1839150750 WOXCWQAOMWFHCS-IRXDYDNUSA-N 451.307 -0.769 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)C3CCC(CO)CC3)C2)C1 1840182808 VJDAFXUISXQUBP-IRZJEQJZSA-N 454.568 -0.386 50 20 JBGD O=C(CNC(=O)C(F)(F)F)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1840204324 DIYRCKAHMVPUNY-MFKMUULPSA-N 464.210 -0.188 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(N)=O)CCO2)C1 1840920520 VROQKCTXLXEMLL-HXUWFJFHSA-N 479.446 -0.742 50 20 JBGD Cc1c(/C=C(\C#N)C(=O)OCC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)cc(C#N)n1C 913286980 PLVJIWIEEXITTJ-GONKEYIRSA-N 459.528 -0.013 50 20 JBGD CCC(=O)N[C@@H](C)C(=O)NNC(=O)Cn1c(=O)c2c(ncn2CC)n(Cc2ccccc2)c1=O 920444200 BKVDTLNLJFRCFU-AWEZNQCLSA-N 469.502 -0.510 50 20 JBGD COCCCNC(=O)NNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 920862743 BKGLJWNNGPWXLQ-UHFFFAOYSA-N 485.563 -0.475 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CNC(=O)C(F)(F)F)C2 1779375716 ROIQHNNHACWJEC-AUUYWEPGSA-N 486.451 -0.509 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)COCCNC(=O)OC(C)(C)C)C2)C1 1781203104 SLZLEKXXAKBGHW-QFIPXVFZSA-N 485.582 -0.269 50 20 JBGD O=C(Cc1ccc2c(c1)CCO2)N1CC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1783418428 WTXUIOUHPJAGNV-XMMPIXPASA-N 450.300 -0.013 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCS(C)(=O)=O)[C@H]2C1 1791769999 SWROFTLUXAPESS-YFRLFMDHSA-N 467.548 -0.465 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(-n3c(O)nnc3O)cc1)C2)[C@@H](O)CCl 1792980926 OCWRRXVFBIVJLZ-NEBZKDRISA-N 451.867 -0.519 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CN(Cc3ccccc3)CCO1)C2)c1cccc(B(O)O)c1 1795738790 GDMSXRISUIZDQM-CBJLPSGESA-N 493.369 -0.529 50 20 JBGD CC(=O)Nc1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)c1 1795740905 NSSKXYBMINQTHX-RMFSNUHRSA-N 451.288 -0.158 50 20 JBGD CC(C)(C)OC(=O)N1[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)C[C@H]2C[C@H]21 1795741342 VFDVHHOFDSNFAC-JFLLUYDKSA-N 499.373 -0.033 50 20 JBGD C=C(Oc1ccccc1O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1796433262 PNVQBCBDKCBOER-UPHUGPLXSA-N 452.272 -0.132 50 20 JBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CC(c3ccccc3)=NN1)C2 1797754241 YZNODCFVNKKHBC-VAKZPMALSA-N 477.525 -0.346 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnncc1C(=O)O 1798095094 DCDBJEZPAPRHAL-IZJYNLIKSA-N 469.458 -0.488 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc2cccnn2n1 1798420183 RLRZLTREDZHENS-IVWMJMPLSA-N 450.459 -0.755 50 20 JBGD COc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)c(C#N)c1 1799237175 BHGZKAYMLVFXEQ-BBIADKPPSA-N 463.299 -0.307 50 20 JBGD COC[C@@H](Cl)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(=O)n4[nH]nnc4n3)sc2C1 1816676204 ZISXXKACVYVSLF-HTQZYQBOSA-N 452.884 -0.251 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCC([C@H]2CCCCN2C(=O)C[C@H]2NC(=O)NC2=O)CC1 1825074751 PQIPNSRQRZZYOI-IAGOWNOFSA-N 471.518 -0.484 50 20 JBGD C[C@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nccnc3C(N)=O)C2)C1 1830543448 SJOOXAUAZVPCQM-KZULUSFZSA-N 470.324 -0.324 50 20 JBGD Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)nn1C 1830952836 DZAARWSQJXETGU-QFIPXVFZSA-N 471.518 -0.960 50 20 JBGD Cc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)cc(O)n1 1835928692 VSWJZMHIOKMBOJ-JOCHJYFZSA-N 455.276 -0.841 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4ccnn4c3)C2)C1 1837459558 KABUZJASMPTDQP-QHCPKHFHSA-N 479.497 -0.283 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCC(OC2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1837919345 ZSLOTYCZYPNPSU-UHFFFAOYSA-N 495.345 -0.709 50 20 JBGD CC(C)n1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)n1 1838787660 TWFVFNCRRNPFEK-JOCHJYFZSA-N 471.518 -0.154 50 20 JBGD CC[C@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)CN(C)NC(=O)NCc3ccccc3)CCO2)C1 1839054027 CIYVMLHWXMTKDZ-CVDCTZTESA-N 477.562 -0.440 50 20 JBGD COc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)cc1N(C)C 1839115789 MKLVRBREHAIUOH-RUZDIDTESA-N 497.357 -0.175 50 20 JBGD C[C@@](Cl)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3C(=O)CNC3=O)C2)C1 1839150749 WOXCWQAOMWFHCS-IAGOWNOFSA-N 451.307 -0.769 50 20 JBGD C[C@@](Cl)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(=O)n4[nH]nnc4n3)C2)C1 1839152287 VCUMTXLYQKFIAG-SJORKVTESA-N 474.305 -0.881 50 20 JBGD COc1ccc(OCC(=O)N2CCOC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)cc1 1840182413 CAXRJWFVVOHTLR-HSZRJFAPSA-N 478.546 -0.097 50 20 JBGD C[C@@H](Nc1cccnc1)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840183924 HZZMNLRSFVQLHG-VGOFRKELSA-N 462.551 -0.289 50 20 JBGD CN(CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1CC(=O)C1)CCO2)NC(=O)NCc1ccccc1 1840833391 BVLAZLYAIOPARV-XMMPIXPASA-N 487.557 -0.232 50 20 JBGD Cn1c(=O)c2c(ncn2CC(=O)N2CCCC23CN(C(=O)CO[Si](C)(C)C)C3)n(C)c1=O 1841984689 AQIHVOQABJOIEG-UHFFFAOYSA-N 462.583 -0.511 50 20 JBGD CN(CCO)S(=O)(=O)c1ccc(C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1 728326133 CZESBBATXNNNTP-SFHVURJKSA-N 493.494 -0.556 50 20 JBGD COc1cc2c(cc1OC)[C@H](CC(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1)N(S(C)(=O)=O)CC2 731761576 SCERLHOPXKYXIN-HIFRSBDPSA-N 489.572 -0.465 50 20 JBGD COc1cnc(C(=O)N2CCO[C@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)c(F)c1 1779029494 YAVUYICHWFTVOU-NRFANRHFSA-N 458.450 -0.015 50 20 JBGD COC[C@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(=O)n3[nH]cnc3n1)C2 1782170736 VMEDGUVZLRMDEJ-BBEJJTJUSA-N 452.899 -0.201 50 20 JBGD CC(C)(C)OC(=O)N[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)CCl)C(C)(C)O 1792983617 ROKDAUUSALJQLR-XLWJZTARSA-N 463.959 -0.160 50 20 JBGD CN(CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CSC(=N)N)NC(=O)NCc1ccccc1 1795506201 FKXCOVVJRNDDMS-HGKCTWBKSA-N 477.591 -0.451 50 20 JBGD CS(=O)(=O)c1cncc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc(B(O)O)c2)c1 1796190867 VVRRPDARIPCYJZ-BCDXTJNWSA-N 457.317 -0.270 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(B(O)O)cc1)C2 1796740245 PXSZHDRFGKEIJT-MHORFTMASA-N 461.324 -0.496 50 20 JBGD C[C@H](Nc1cnccn1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1797775896 KHKDIUSDMALLPQ-FLTUCWPJSA-N 454.491 -0.821 50 20 JBGD Cc1ccc(=O)n(C(C)(C)C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)n1 1797910240 VZEKHKQLYIGFLX-CCWDJLKJSA-N 483.529 -0.811 50 20 JBGD CN(CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCC(=O)N1C)C2)NC(=O)NCc1ccccc1 1799097928 XOGYYKCMCXMJFU-WEMPKCCASA-N 486.573 -0.457 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1nccn1 1799408479 KPOLQNLEPDQLEV-FQLMCAECSA-N 456.931 0.000 50 20 JBGD CC(C)(C)OC(=O)NCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1802120458 FMAYCEZVOGQSTP-XEMDLRDOSA-N 475.351 -0.126 50 20 JBGD NC(=O)c1nccnc1C(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807361389 PPFUUNNXOCUXFS-JXFKEZNVSA-N 474.286 -0.716 50 20 JBGD C[C@H](C(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)N1CCN(C)CC1 1807862939 ILMREQXTVYXJGA-RZFNWQHOSA-N 479.390 -0.283 50 20 JBGD O=C(CN1C(=O)CSC1=S)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1814185475 BWDJYEOPCUXCHC-UZLBHIALSA-N 498.395 -0.059 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CNC2=O)CC1 1824901905 VKLMFECWRXZANI-SFHVURJKSA-N 456.308 -0.849 50 20 JBGD CC(C)(C)OC(=O)N[C@H](CCN)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](O)CCl)CCO2)C1 1830723895 STDLWUPCUQUNBZ-SXGZJXTBSA-N 478.974 -0.715 50 20 JBGD C[C@@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)CCN3C(=O)C=CC3=O)CCO2)C1 1832015711 WJYARWCMJNUVGU-LIRRHRJNSA-N 472.336 -0.211 50 20 JBGD CCS(=O)(=O)CC(=O)NC1CCN(C2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1 1833456292 NYZHLOPPAHPCDT-UHFFFAOYSA-N 459.613 -0.634 50 20 JBGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](CCN)NC(=O)OC(C)(C)C)CCO2 1835642533 QGRRTOMKLDBMSQ-ZOCZFRKYSA-N 493.001 -0.061 50 20 JBGD CC(=O)O[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1)C(C)C 1835937950 CDOAVAXKYYYDSP-KNQAVFIVSA-N 462.308 -0.976 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3COc4ccccc4O3)C2)C1 1837455645 BQMYUTCJEHQKNJ-GBXCKJPGSA-N 497.508 -0.405 50 20 JBGD C[C@@](Cl)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(=O)n4[nH]cnc4n3)C2)C1 1839151920 IGHLTFSDUBHQSK-MSOLQXFVSA-N 473.317 -0.276 50 20 JBGD CC[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)C[C@@H](NC)C(=O)O)C2)C1 1839963353 IINQFOBDSIWVRC-AHIWAGSCSA-N 450.330 -0.321 50 20 JBGD CC[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(=O)n4[nH]cnc4n3)C2)C1 1839964340 OVQRUNYXGFXQNA-XIKOKIGWSA-N 483.323 -0.339 50 20 JBGD COCCOCCOCCOCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1 1840082365 QBXOUDFEMZOPLK-HKUYNNGSSA-N 470.922 -0.327 50 20 JBGD C[C@@H](Cn1cncn1)NC(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 749211691 OMUMHYPICHINHC-HNNXBMFYSA-N 465.536 -0.349 50 20 JBGD CCn1cnc2c1c(=O)n(CC(=O)NNC(=O)CNC(=O)C(C)(C)C)c(=O)n2Cc1ccccc1 789855241 FLCGOKKWESBRFQ-UHFFFAOYSA-N 483.529 -0.262 50 20 JBGD O=C(CS(=O)(=O)Cc1ccc(Br)cc1)NNC(=O)[C@H]1CCS(=O)(=O)C1 915832303 QDPMQBHOMUMQOO-NSHDSACASA-N 453.336 -0.054 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](O)NC(=O)OC(C)(C)C)C2)C1 1781858804 NQHWJKMVAMVPNW-JXFKEZNVSA-N 457.528 -0.968 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc4c(c3)CCNCC4)C[C@@H]21)c1ccc(B(O)O)cc1 1786982909 CMULMCBQDIZTSX-HARLFGEKSA-N 478.358 -0.643 50 20 JBGD NNC(=O)c1ccncc1C(=O)Nc1ccc(C2(NC(=O)c3cc(=O)n4[nH]nnc4n3)CCC2)cc1 1789522537 KEVRYRNCLXPSIL-UHFFFAOYSA-N 488.468 -0.127 50 20 JBGD COC(=O)[C@@H]1CCC[C@@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)C1 1791244629 WRTBGYKIVRLHNT-SACAXFFCSA-N 472.347 -0.061 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1ccc2nc(CO)[nH]c2c1 1796869938 ZMRAMJALLYTTIE-VPTLXERWSA-N 464.287 -0.748 50 20 JBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnn3ccncc13)C2 1797750448 ABJGLABFAVTYAQ-IVWMJMPLSA-N 450.459 -0.755 50 20 JBGD CC(C)(C)n1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)nn1 1798707121 KMGBKMPAPDZRHZ-FVCICTRLSA-N 456.507 -0.451 50 20 JBGD COc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)c([N+](=O)[O-])cc1O 1801011791 DVNPKPYITAOKBL-NXCRSVRDSA-N 479.490 -0.115 50 20 JBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCNC(=O)OC(C)(C)C)C2 1801012611 RTSIZQOFVODSNL-YYAJDYIMSA-N 485.582 -0.775 50 20 JBGD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(=O)nc3cccnn13)CC2)c1ccc(B(O)O)cc1 1815343644 GRFWBZXBLRPHPM-AWEZNQCLSA-N 490.310 -0.235 50 20 JBGD C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C2)C1 1829766101 LXQPOIVUNSQMED-PZVTZKBPSA-N 486.529 -0.565 50 20 JBGD O=C1CSc2ncc(C(=O)N3CCOC[C@]4(C3)CN(C(=O)[C@@H](O)CCl)CCO4)cc2N1 1830735842 OEORRZIZHQGVKV-LIRRHRJNSA-N 470.935 -0.205 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)c1ccccc1)CCO2 1835287044 PUIUMAKYFFJUQR-NZQKXSOJSA-N 454.288 -0.830 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)c3cc(C4CC4)on3)C2)C1 1835925985 FVIPRZSOEULYKV-JOCHJYFZSA-N 455.276 -0.384 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)c3cc(C4CC4)on3)C2)C1 1835925986 FVIPRZSOEULYKV-QFIPXVFZSA-N 455.276 -0.384 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])cc3F)C2)C1 1835939268 JLUYMAJMBAXBJI-JOCHJYFZSA-N 487.249 -0.203 50 20 JBGD CC(=O)Nc1cccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)c1 1835941784 PJHJDUMCZSZLMA-XMMPIXPASA-N 481.314 -0.291 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)CN3CCS(=O)(=O)CC3)CC2)CC1)[C@H](F)Br 1836414172 XJGNIHFHIXJKBN-KRWDZBQOSA-N 497.431 -0.021 50 20 JBGD C=C(C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnccc1C(=O)NN)CCO2)C(F)(F)F 1837460338 BUNPZJQAZBCEJX-GOSISDBHSA-N 457.409 -0.126 50 20 JBGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](COC(C)=O)OC(C)=O)CCO2 1837502132 JAQBRTUGMJISIS-BXWFABGCSA-N 464.899 -0.809 50 20 JBGD COc1ccc2[nH]cc(C(=O)N3CCO[C@]4(COCCN(C(=O)c5cccc(B(O)O)c5)C4)C3)c2n1 1838487965 RTVYQFZFZAGPGM-DEOSSOPVSA-N 494.313 -0.365 50 20 JBGD O=C(c1nc2ncccn2n1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839200396 HFZBTHIFUUXCMZ-BZNIZROVSA-N 457.260 -0.115 50 20 JBGD CC[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3C(=O)C=CC3=O)C2)C1 1839966912 UBOMVIKGVKTRLQ-UGSOOPFHSA-N 458.309 -0.459 50 20 JBGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4n(n3)CCNC4=O)C2)C1 1840031751 BHAWOIJQVOILAJ-SGTLLEGYSA-N 470.324 -0.520 50 20 JBGD C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1)c1ccccn1 1840501615 JRNREDYKWMHMLL-HJPURHCSSA-N 468.514 -0.046 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)Cc2cn3c(nc2=O)SCC3)C1 1845022300 NNDQNAYWPUQPDE-UHFFFAOYSA-N 469.527 -0.593 50 20 JBGD Cn1c(=O)c2c(ncn2CC(=O)N2CC3(CCCN3C(=O)[C@@](C)(Cl)CCl)C2)n(C)c1=O 1845169442 KEWJLBRBBJOQGC-SFHVURJKSA-N 471.345 -0.127 50 20 JBGD COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)NNC(=O)CN2CCCC2=O)CC1 920824830 FIXFXBJQSBUMGE-UHFFFAOYSA-N 466.516 -0.356 50 20 JBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2)[C@H]1CC[C@@H]2CCC(=O)N2C1 1780605901 SYBXLAGTEBEOAJ-FXWJEBAPSA-N 483.374 -0.105 50 20 JBGD COC(=O)c1ccc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)cc1 1784155638 FWEMLQVXUCJSLX-XMMPIXPASA-N 466.299 -0.161 50 20 JBGD Cc1nn2cc(CC(=O)N3CC[C@H]4CO[C@@H](CNC(=O)c5ccc(B(O)O)cc5)[C@H]4C3)nc2s1 1786980208 VRWBOJCNIFZDAT-SNRMKQJTSA-N 483.359 -0.385 50 20 JBGD CC(=O)Nc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)cc1O 1795736282 VTGAUNHSZOLTKO-UPHUGPLXSA-N 467.287 -0.453 50 20 JBGD Cn1c(=O)n(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(B(O)O)cc2)c2ccccc21 1796189024 NFFMARMIFJNCNO-REPLKXPHSA-N 462.315 -0.028 50 20 JBGD CN1CCN(CCC(=O)NC[C@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)CC1 1806912196 QYULREQQYDXBQT-QPPBQGQZSA-N 479.390 -0.282 50 20 JBGD CCOC(=O)N[C@@H](O)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CCC(=O)NN(C)C)CC2 1819473020 NIARVBZIHWPHEP-HWPZZCPQSA-N 456.525 -0.507 50 20 JBGD COc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)cc1F 1830144911 SYBOPWPJYHDYOG-QHCPKHFHSA-N 472.278 -0.102 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(F)cn3)CCO2)C1 1834477127 GNMZHGRAZURUNC-NRFANRHFSA-N 458.450 -0.397 50 20 JBGD Cc1ccc(OCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)cc1 1835929412 ORJXDTKVSJUJPS-XMMPIXPASA-N 468.315 -0.176 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)c3cc(C4CC4)on3)C2)C1 1835934020 KGFONYSSXIFTSB-QFIPXVFZSA-N 455.276 -0.384 50 20 JBGD O=C(NCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2)c1ccccc1 1835940908 DKFKXJMVZWBPIC-RUZDIDTESA-N 495.341 -0.744 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc3cccnc3n1)CCO2 1836831433 SAGZTPUJVSZAPY-XMMPIXPASA-N 476.298 -0.307 50 20 JBGD Cc1onc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cnccc4C(=O)NN)CCO3)C2)c1C 1837455634 AZHPXSFACRTBBL-OAQYLSRUSA-N 458.475 -0.326 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1837458757 AHMSBAIFWGTLEE-DEOSSOPVSA-N 485.541 -0.546 50 20 JBGD C[C@H](Nc1cnccn1)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1837481966 OAMHLRPWUYHUJI-OYHNWAKOSA-N 484.517 -0.954 50 20 JBGD CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1837502784 OKJZQYJJXOQADY-CXAGYDPISA-N 455.291 -0.259 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)c1cc(F)cnc1Cl)CCO2 1837855969 OIIBVNOVSVQYPR-NRFANRHFSA-N 477.685 -0.062 50 20 JBGD CCOC(=O)N[C@H](O)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@](C)(Cl)CCl)CCO2 1839153225 WPHOEFBJHVDVJZ-OAUYIBNBSA-N 456.323 -0.256 50 20 JBGD Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)ccc1O 1839307170 BETNCPWZNBTVPS-HSZRJFAPSA-N 454.288 -0.236 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1cnc3ccc(F)cn13)CCO2 1839591232 NDMXOAUUQDNYEG-HSZRJFAPSA-N 482.277 -0.463 50 20 JBGD CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)NNC(=O)C(=O)NC1CC1 9889470 QTWROATVJCZENF-INIZCTEOSA-N 454.505 -0.423 50 20 JBGD COc1cc2c(cc1OC)[C@H](CC(=O)NNC(=O)c1cn(C)c(=O)nc1O)N(S(C)(=O)=O)CC2 916159328 QKNJVTNEUUXNHW-AWEZNQCLSA-N 495.514 -0.787 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)C2)C1 1781342784 NLSHOMLZRFFNHL-KSFYIVLOSA-N 485.582 -0.535 50 20 JBGD CC(C)n1nc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)cc1C(=O)O 1785716533 VEDOAMNDMYTYFB-KNBMTAEXSA-N 484.318 -0.251 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc4[nH]ncc4c3)C[C@@H]21 1788610969 CSWTVFRLABSRFZ-IGNZVWTISA-N 464.486 -0.137 50 20 JBGD C[C@H](Nc1ccccn1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1788779038 SFPLKSCSXWCRGR-UHMOLFJZSA-N 452.320 -0.145 50 20 JBGD CCOC(=O)c1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)ccn1 1795740264 LYPUNFSCKPZGOV-XEMDLRDOSA-N 467.287 -0.545 50 20 JBGD CC(C)(C)OC(=O)N1CC[C@H]2C[C@@]21C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795741277 ROPOSDQEQCIYOI-UFZBXBPUSA-N 499.373 -0.031 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2)c1ccc(-n2c(O)nnc2O)cc1 1798595339 WZIONMRJMJPKMP-NEBZKDRISA-N 451.867 -0.519 50 20 JBGD CN(CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCOC1)C2)NC(=O)NCc1ccccc1 1799099298 UAJHYOPTGWFXES-HUUJSLGLSA-N 459.547 -0.041 50 20 JBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(=O)nc2cccnn12 1799189673 OLDASOSXISLQKA-BTTYYORXSA-N 462.470 -0.346 50 20 JBGD O=C(Cc1cc(F)ccc1[N+](=O)[O-])N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1802093626 CTYHPEJZCOAFTA-VPTLXERWSA-N 471.250 -0.140 50 20 JBGD CC(=O)N(C)CCC(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807369833 XFATZGAVQGZAPL-UGKGYDQZSA-N 452.320 -0.051 50 20 JBGD CC(=O)N1CCN(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)CCl)CCO3)CC1 1830362007 IFXRDDWJMJWWKC-NRFANRHFSA-N 458.987 -0.128 50 20 JBGD Cc1c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)cn2[nH]cnc(=O)c12 1830730635 BSCCVIWXFAUQJJ-AUUYWEPGSA-N 453.883 -0.999 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CC(=O)N(C3CCCC3)C1)CCO2 1832356955 JOLIUQYHNOQCET-DFBJGRDBSA-N 499.373 -0.773 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC1CCN(C2CCN(C(=O)[C@@H]3CNC(=O)O3)CC2)CC1 1835116709 YFTOKMXQWOGMPJ-NEOOYVHHSA-N 473.534 -0.200 50 20 JBGD CS(=O)(=O)c1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)cc1 1835349812 ZIBUHHAXPZDHKP-YLJYHZDGSA-N 474.963 -0.311 50 20 JBGD C[C@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835926676 YPZUEHOIKHCDLT-AUUYWEPGSA-N 469.141 -0.533 50 20 JBGD C[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1)c1ccccn1 1835934507 WDYWTHMKRMDIBO-HXOBKFHXSA-N 453.304 -0.365 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)c3cccc4[nH]ncc34)C2)C1 1835935843 UWGDRXHJLAWUSU-QHCPKHFHSA-N 464.287 -0.374 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)c3ccc4cnccc4n3)C2)C1 1835937493 ZSGILGZXQITZIO-DEOSSOPVSA-N 476.298 -0.307 50 20 JBGD O=C(CS[C@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835938261 RJKBBCCUCWFHSE-RBBKRZOGSA-N 478.376 -0.304 50 20 JBGD O=C(Cc1cccc(F)c1F)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835939808 JCKINZIADQTOJT-QHCPKHFHSA-N 474.269 -0.043 50 20 JBGD CCc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)n[nH]1 1836279658 LAAWKKLJXWUDGC-OAQYLSRUSA-N 457.491 -0.646 50 20 JBGD CC(=O)Nc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)ccn1 1837458838 FGFHVJIDXIJBRH-QHCPKHFHSA-N 497.512 -0.578 50 20 JBGD COC1(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)CCC1 1837460372 DSTZOJLVXBZZJB-QFIPXVFZSA-N 461.519 -0.286 50 20 JBGD C[C@H](C(=O)N1CCC(OC2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1)n1ccnn1 1837921660 USUBPWSEKLZTHH-MRXNPFEDSA-N 455.324 -0.169 50 20 JBGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)C3CCN(S(C)(=O)=O)CC3)C2)C1 1840033287 ZXCRTQAFXUQGOM-KBXCAEBGSA-N 496.424 -0.102 50 20 JBGD C[C@@](O)(CC(=O)O)CC(=O)N1CCO[C@]2(COCCN(C(=O)CCBr)C2)C1 1840178669 OOQRQKZDUJZOLI-IRXDYDNUSA-N 451.314 -0.156 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(CN(C(=O)CCc3ncc[nH]3)CCO2)C1 1840325146 HTZSFLVTOVGTKT-NRFANRHFSA-N 457.491 -0.889 50 20 JBGD O=C(NNS(=O)(=O)c1ccc(Br)c(C(=O)O)c1)N[C@@H]1CCS(=O)(=O)C1 919960821 ITLBJFKCJUUGST-SSDOTTSWSA-N 456.296 -0.173 50 20 JBGD C[C@@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)CN3CCS(=O)(=O)CC3)CCO2)C1 1783529820 NUYVFFQRXOBHLU-CZUORRHYSA-N 452.371 -0.670 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3nc(N)n[nH]3)C[C@@H]21 1787508713 PQKHPQCEHFRBTD-MIFGEAQISA-N 471.522 -0.567 50 20 JBGD Cn1cc(CCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cnccc4C(=O)NN)[C@H]3C2)cn1 1788610688 PDVGQSOOBKVINY-SNRMKQJTSA-N 455.519 -0.355 50 20 JBGD CC(C)(C)OC(=O)N1C[C@@](C)(O)C[C@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)CCl 1792982502 FMUIPKCSODIEIC-VLMUSUEPSA-N 475.970 -0.064 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1C(=O)CNC1=O)C2 1793878223 GLMDNESFTSXABC-ZWUHOBOKSA-N 487.941 -0.740 50 20 JBGD C[C@H](NC(=O)c1cnccn1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCBr 1795115678 GHKDCPUAMLWFBH-JFILPPLUSA-N 454.325 -0.031 50 20 JBGD CN1CCN(C2(C(=O)NC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)[C@@H]3c3cccnc3)CC2)CC1 1807941013 OXSOYSUMLVFROP-JTHBVZDNSA-N 491.401 -0.139 50 20 JBGD COC[C@H](Cl)C(=O)N1CC[C@@H](CNC(=O)c2cc(=O)n3[nH]nnc3n2)[C@H]1c1cccnc1 1807948252 APBQZBXHSKCSNX-HEHGZKQESA-N 460.882 -0.219 50 20 JBGD O=C1CC[C@H](C(=O)NC2CCN(C3CCN(C(=O)c4ccc(B(O)O)cc4)CC3)CC2)CN1 1833120374 WIOXLSFKAOLLLI-KRWDZBQOSA-N 456.352 -0.922 50 20 JBGD C[C@H](C(=O)NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1)N1C[C@H]2C[C@H]2C1 1835669890 OFXHZRXATLUMCE-RLLQIKCJSA-N 468.407 -0.108 50 20 JBGD C[C@H](Nc1nccs1)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835928325 KTJYWYDUGGCPLJ-BTYIYWSLSA-N 474.348 -0.607 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)c3ccccc3)C2)C1 1835929619 YULQOQATQFOIHF-REWPJTCUSA-N 454.288 -0.830 50 20 JBGD O=C(c1ccn2ccnc2c1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835930266 GFSVNTSLRVGPKK-QHCPKHFHSA-N 464.287 -0.602 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)c3cccnc3Cl)C2)C1 1835934496 VZYVMIGPVPMLTO-NRFANRHFSA-N 459.695 -0.201 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)c3ccc4cccnc4n3)C2)C1 1835936970 MMIBPZXMXJNBQD-DEOSSOPVSA-N 476.298 -0.307 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)c3cn4ccsc4n3)C2)C1 1835937108 ONMAZSWWWQTKBJ-OAQYLSRUSA-N 470.316 -0.541 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)c1cnc(Cl)s1)CCO2 1838156554 XFJFILYPVFJRDE-LJQANCHMSA-N 465.724 -0.140 50 20 JBGD C[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1)n1cccc1C=O 1840183912 HTZDJWZGPWLTTK-HTAPYJJXSA-N 463.535 -0.309 50 20 JBGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](Cc1cnc[nH]1)NC(C)=O)CCO2 1840371872 GLBHZHHYQBMGRL-QKLQHJQFSA-N 471.942 -0.833 50 20 JBGD CC(C)(C)OC(=O)N[C@H](CCO)C(=O)N1CCCC12CN(C(=O)c1cccc(B(O)O)c1)C2 1841429811 AXPFTPZCLSLTMW-QGZVFWFLSA-N 461.324 -0.541 50 20 JBGD CN(CC(=O)N1CCCC12CN(C(=O)c1c[nH]c(=O)cn1)C2)NC(=O)NCc1ccccc1 1845039252 XGBVCZLJKPEXLM-UHFFFAOYSA-N 453.503 -0.067 50 20 JBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)CCn2c(=O)[nH]c(=O)c3ccccc32)cc1 17407105 UWVAUGDPRQOTTD-UHFFFAOYSA-N 473.511 -0.144 50 20 JBGD Cc1ccc(C(=O)NNC(=O)CNC(=O)c2ccco2)cc1S(=O)(=O)N1CCOCC1 751212580 TYAAOUVNXXFANH-UHFFFAOYSA-N 450.473 -0.200 50 20 JBGD CC[C@@H](NC(C)=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnccc2C(=O)NN)C1 1779371515 WVRDUUMNRVVPDH-JBYIUTFZSA-N 460.535 -0.273 50 20 JBGD Cc1c(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CCC(=O)NN(C)C)C2)cn2[nH]cnc(=O)c12 1782212335 UIYUQRREGQHEDA-UZUQRXQVSA-N 487.561 -0.168 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nc4ccccc4n(C)c3=O)[C@H]2C1 1787973980 DKBCNPQZBHFGPZ-BXWFABGCSA-N 484.557 -0.100 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)NC(=O)OC(C)(C)C)C[C@@H]21 1791293924 OQDGEKSVNRJPAH-YRBFXIGRSA-N 471.555 -0.818 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1[nH]nc2ccncc12 1796212415 ITTPBWKCRCXECT-DPIQGUFMSA-N 450.459 -0.527 50 20 JBGD Cc1cc(C)n2ncc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)c3ccc(B(O)O)cc3)C4)c2n1 1796920814 WFUBJRQHTGGGSJ-XEMDLRDOSA-N 463.303 -0.457 50 20 JBGD CC(C)(C)OC(=O)N1CC(C)(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)C1 1797275221 AXPLUAPLWITWHW-IZZQQSIFSA-N 487.362 -0.173 50 20 JBGD CC(=O)N1CCN(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](C)CBr)C3)CC1 1797303223 SEVQYMUKRJXWSR-NYCLONFESA-N 459.385 -0.229 50 20 JBGD COc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)cc(Cl)n1 1798288180 HLXZJJFXOCRBGU-CCWDJLKJSA-N 459.695 -0.060 50 20 JBGD CCOC(=O)N1CCC(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)CC1 1801988200 WPKUWCBAMUACGH-HGKCTWBKSA-N 488.545 -0.243 50 20 JBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 1802236255 XSIYOJWGBBFPOS-AXVVYFOYSA-N 497.593 -0.415 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCC2(CCCN(C(=O)C[C@@H]3NC(=O)NC3=O)C2)CC1 1806848979 ZPLUAUGORXQOLO-HEOQCTJZSA-N 471.518 -0.050 50 20 JBGD O=C(CCN1C(=O)C=CC1=O)N1CCC2(CCCN(C(=O)c3ccc(B(O)O)cc3)C2)CC1 1809969334 QSODOCJQXNYJEV-UHFFFAOYSA-N 453.304 -0.474 50 20 JBGD C[C@H](C(=O)NC[C@@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1)n1cnnn1 1813471497 ZQWHDQTZRUYPNJ-XUWXXGDYSA-N 464.490 -0.353 50 20 JBGD NNC(=O)c1ccncc1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)COc1ccc(O)nn1)CC2 1819800927 VHOJYMOAJHZNOR-JTQLQIEISA-N 484.498 -0.058 50 20 JBGD CCS(=O)(=O)N[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827055564 DACGMVHFLYJHES-JXFKEZNVSA-N 479.408 -0.073 50 20 JBGD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835934499 WAMJXNYBMZSJQW-LHLOKTHNSA-N 498.297 -0.733 50 20 JBGD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835942157 ZCUBYDFTRSSUDV-SXBBHYFQSA-N 498.297 -0.733 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1Cc3ccccc3O1)CCO2 1836647091 BJBGLIJOTICROW-URXFXBBRSA-N 466.299 -0.560 50 20 JBGD O=C(NCC(=O)N1CCC(OC2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1)c1cccnc1 1837122527 BNJBAZZVKSSPJK-UHFFFAOYSA-N 494.357 -0.196 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cscn3)C2)C1 1837457920 WEVHRELDBQNMRP-FQEVSTJZSA-N 460.516 -0.546 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCC(OC2CCN(C(=O)c3cc(=O)n4[nH]cnc4n3)CC2)CC1 1837917944 WDSQNWAKLBTXKL-UHFFFAOYSA-N 494.317 -0.977 50 20 JBGD CCc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)n(C)n1 1838042379 XSKYWVHBCQHTKE-QFIPXVFZSA-N 456.308 -0.954 50 20 JBGD CN(CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cn[nH]c3)C2)C1)NC(=O)NCc1ccccc1 1839054000 BBZFXUYFELIMHM-HSZRJFAPSA-N 485.545 -0.174 50 20 JBGD CN(CC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cc[nH]n3)C2)C1)NC(=O)NCc1ccccc1 1839054397 WULDTLLMGCYHHH-XMMPIXPASA-N 499.572 -0.245 50 20 JBGD C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1839889113 CCHFRWKCXSWJRJ-IBGZPJMESA-N 453.446 -0.034 50 20 JBGD CC[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1839964368 PLURQOSUSGIAIM-VQIMIIECSA-N 469.141 -0.390 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCc4sccc4C3)C2)C1 1840182724 QYZZORMTEWEAAV-HSZRJFAPSA-N 493.630 -0.064 50 20 JBGD COC(=O)c1ccc(CC(=O)N2CCOC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)cc1 1840185989 VKJKCQZPTCETDS-DEOSSOPVSA-N 490.557 -0.155 50 20 JBGD Cc1ccc(C(=O)NCC(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)cc1 1840904785 WMUJDFVAZSRRIW-RUZDIDTESA-N 495.341 -0.825 50 20 JBGD CC1(C)NC(=O)N(CC(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1=O 863950060 OIECNVYVDYJFRE-UHFFFAOYSA-N 481.531 -0.882 50 20 JBGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)CN(C)[C@H]2CCS(=O)(=O)C2)c1 914532638 LUHTTZZUVRGJSF-HNNXBMFYSA-N 460.578 -0.403 50 20 JBGD C=CCNC(=O)NNC(=O)Cn1c(=O)c2c(ncn2CCOC)n(Cc2ccccc2)c1=O 915882317 KHSDIGVDMJGFDW-UHFFFAOYSA-N 455.475 -0.429 50 20 JBGD Cn1c(=O)n(C)c2cc(C(=O)N3CC[C@@]4(CN(C(=O)c5cccc(B(O)O)c5)CCO4)C3)ccc21 1777865554 GJSUXMPFAYCPAU-DEOSSOPVSA-N 478.314 -0.686 50 20 JBGD COC(=O)[C@H]1CC[C@@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]32)C1 1784087701 YVRWRZDUAXDJLU-FPSMNIFISA-N 452.552 -0.072 50 20 JBGD COC(=O)[C@H]1CC[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)CC1 1795732857 NNOFSSGOUHXYOW-XRTNJVEMSA-N 458.320 -0.451 50 20 JBGD N=C1NCCN1CC(=O)NC[C@@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1807116894 XTKUWQBGYBYBQC-HNAYVOBHSA-N 465.518 -0.760 50 20 JBGD CCS(=O)(=O)CC(=O)N1CCO[C@@]2(COCCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C2)C1 1831337785 MGSLGWUBTIFHSQ-QCBCRBAMSA-N 483.547 -0.989 50 20 JBGD Cn1c(C(=O)N2CCC(N3CCC(NC(=O)c4ccc(B(O)O)cc4)CC3)CC2)cccc1=O 1834797350 FFXPEJFETNFLBW-UHFFFAOYSA-N 466.347 -0.436 50 20 JBGD COc1nn(C)cc1C(=O)N1CCC(N2CCC(NC(=O)c3cnccc3C(=O)NN)CC2)CC1 1835737137 OGLLFWQJQNZPGD-UHFFFAOYSA-N 484.561 -0.074 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cc(Cl)cn3)CCO2)C1 1835973739 QJQPFPXCDFLCSL-HXUWFJFHSA-N 477.909 -0.695 50 20 JBGD O=C(Cc1noc2ccccc12)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1835979900 CKOHAZYMOSZTBM-DEOSSOPVSA-N 479.298 -0.180 50 20 JBGD COc1ccsc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1838292721 AOYYRNPVWCLSQJ-NRFANRHFSA-N 460.317 -0.180 50 20 JBGD CC(=O)NCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc([N+](=O)[O-])ccc1OC(C)=O)CCO2 1838528026 AOQVWYAAHGHCGV-NRFANRHFSA-N 478.458 -0.274 50 20 JBGD CN(C)c1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)c1 1838924064 DCMDQWRIJXZATO-DEOSSOPVSA-N 467.331 -0.184 50 20 JBGD C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](F)Br)CCO2)C1)[C@H]1SC(=N)NC1=O 1839201451 XZCLNLGAFDNBAI-QUIZZNFMSA-N 481.344 -0.064 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccn4ccnc4c3)C2)C1 1840184176 BALJXGQVLRHPEQ-QFIPXVFZSA-N 458.519 -0.223 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc4c3NC(=O)C4=O)C2)C1 1840184375 IZFGUUPOZITRJO-HSZRJFAPSA-N 487.513 -0.736 50 20 JBGD CC(C)Cn1cnc2c1c(=O)n(CC(=O)NNC(=O)CN(C)C)c(=O)n2Cc1ccccc1 727369855 VFWYUVGHPDIARN-UHFFFAOYSA-N 455.519 -0.227 50 20 JBGD CCn1c(=O)c2ccccc2n(CC(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)c1=O 756519800 KDZFYUWIXSQYTA-GOSISDBHSA-N 482.449 -0.286 50 20 JBGD CC[C@]1(C)NC(=O)N(CC(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1=O 863949961 DBIGOEWOMDAUGA-NRFANRHFSA-N 495.558 -0.492 50 20 JBGD CC[C@H](C)NC(=O)CCNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 918085376 SXXXAWZLMXOTIS-AWEZNQCLSA-N 455.537 -0.044 50 20 JBGD Cn1nc(C(=O)NNC(=O)NCC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c2ccccc2c1=O 918138461 SMFFDVCCRYOCPH-UHFFFAOYSA-N 487.517 -0.043 50 20 JBGD CCn1cnc2c1c(=O)n(CC(=O)NNC(=O)c1ccc(O)nn1)c(=O)n2Cc1ccccc1 920503600 IRLVUXYEBPCPQC-UHFFFAOYSA-N 464.442 -0.615 50 20 JBGD COC(=O)/C=C\c1cc(OC)c(OC)c(S(=O)(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)c1 921021547 UYGUVGAWTVLKTD-RXNFCKPNSA-N 462.502 -0.366 50 20 JBGD N[C@@H](Cc1cscn1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2 1777966419 MEFASQLQGQHNQS-NNMXDRDESA-N 472.376 -0.480 50 20 JBGD CC(C)(C)OC(=O)N1CC(C(=O)N2CC[C@@]3(CN(C(=O)c4cnccc4C(=O)NN)CCO3)C2)C1 1778125279 YNQNUZQVPBZWKJ-QHCPKHFHSA-N 488.545 -0.005 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3ON=C(c4ccccc4)O3)C2)C1 1778874683 MUGZZMUUVWERRR-FCHUYYIVSA-N 459.503 -0.076 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1COc3ccccc3O1)CCO2 1779029253 UQVKEYKUJXMGAP-WMZHIEFXSA-N 467.482 -0.031 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(C1)CN(C(=O)c1cnn3cccnc13)CCO2 1779032318 NFMRVBOOPNEPKG-NRFANRHFSA-N 450.459 -0.515 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)NC(=O)c3cnccn3)C2)C1 1779179285 DMJKTTYODYJIQT-KSPSBMEJSA-N 496.528 -0.441 50 20 JBGD CC(=O)OC[C@@H](OC(C)=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)C2 1779408579 WVDFRUZJQASHEW-JBYIUTFZSA-N 484.550 -0.632 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)c3cc(-n4ccnc4)ccn3)C2)C1 1780387126 SEGYRBNTOQAHAI-QHCPKHFHSA-N 461.287 -0.296 50 20 JBGD COC(=O)C12CC(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)c5cccc(B(O)O)c5)[C@H]4C3)(C1)C2 1786985277 XYRHOARFDSIOQB-KXSMRGEYSA-N 456.304 -0.697 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CCc4nc[nH]c4C3)[C@H]2C1 1791529055 SECDPRIGOXGFGQ-CXIBIASBSA-N 467.530 -0.193 50 20 JBGD CC(C)(C)OC(=O)N1CC2(CC(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)[C@@H](O)CCl)=NO2)C1 1792984420 ZXHYAFWRRCLOJD-XRGAULLZSA-N 486.953 -0.059 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN1CCOC1=O)C2 1796441918 GUCYFJMCQDWYIL-SNOXVSQISA-N 460.491 -0.448 50 20 JBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)CCNC(=O)OC(C)(C)C 1799354607 VALBGJVCDHZVNM-RCJHGTSTSA-N 485.582 -0.775 50 20 JBGD N#Cc1ccc2[nH]nc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)c3cccc(B(O)O)c3)C4)c2c1 1799883253 DWZBJTZJXVIYFS-CWPLJXCYSA-N 459.271 -0.369 50 20 JBGD CCS(=O)(=O)CC(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1803514636 MLZPJLSDDLKGKW-FXAWDEMLSA-N 459.333 -0.484 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)CCN2C(=O)C=CC2=O)[C@H]1c1cccnc1 1803916954 MCUWXLQOEGOFDG-UZUQRXQVSA-N 470.530 -0.225 50 20 JBGD CN1N=C(C(=O)NC[C@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)CCC1=O 1804119282 DJHIPHJULQVQBN-DYESRHJHSA-N 463.303 -0.311 50 20 JBGD C[C@H](C(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)N1CCN(C)CC1 1807372534 GAYLLUSJYSIJJY-AAIMPIBUSA-N 479.390 -0.283 50 20 JBGD O=C(NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)c1cc(O)nc(O)n1 1808294837 CGOYWIWNVZEKFR-HNAYVOBHSA-N 463.259 -0.404 50 20 JBGD Nc1n[nH]c(CCC(=O)NC[C@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)n1 1810146448 DFLZFFMYIOUQNC-OXQOHEQNSA-N 463.307 -0.586 50 20 JBGD COC[C@H](NC(C)=O)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cccc(B(O)O)c1)CC2 1820185273 GSKRTPKQVWHKOQ-HOCLYGCPSA-N 460.321 -0.800 50 20 JBGD C[C@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)C[C@@H]3NC(=O)NC3=O)CCO2)C1 1832685648 QYMALFQXXREYOM-PEBVRCNWSA-N 461.313 -0.928 50 20 JBGD Cc1ncccc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1834038955 SEEPIIUKQSWWOT-JOCHJYFZSA-N 454.487 -0.228 50 20 JBGD C[C@](O)(CC(=O)O)CC(=O)N1CCOC[C@]2(CN(C(=O)CCBr)CCO2)C1 1834826820 XKTOPFLTWUCKBU-SJORKVTESA-N 451.314 -0.156 50 20 JBGD CC(=O)N(C)[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1835122612 SOFWLNFXMNNKRG-MRXNPFEDSA-N 458.368 -0.582 50 20 JBGD CO[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1)c1ccccc1 1835280830 LZWGTPIEEGSDFF-URXFXBBRSA-N 468.315 -0.176 50 20 JBGD O=C(Cc1ccc2c(c1)CCO2)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835931751 ARHZEPHSGJCDNJ-VWLOTQADSA-N 480.326 -0.386 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC(c4ccccc4)=NO3)C2)C1 1835933765 CKXQHDJQBOYYQP-RCZVLFRGSA-N 493.325 -0.370 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)c3nc4ccccc4[nH]3)C2)C1 1835937443 XFYYNTQUJXYHDF-HSZRJFAPSA-N 464.287 -0.374 50 20 JBGD Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)ncc1[N+](=O)[O-] 1836552631 SQPMWTQMHCILAV-QFIPXVFZSA-N 499.484 -0.319 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cn3ccsc3n1)CCO2 1837051587 CMEAFRNMDMRHKR-HXUWFJFHSA-N 464.548 -0.161 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc4cnccc4[nH]3)CCO2)C1 1837102152 KSKGUGOCASSIDJ-QHCPKHFHSA-N 479.497 -0.055 50 20 JBGD N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)c1 1837459540 IXYFXZXUJQDVIX-OAQYLSRUSA-N 453.459 -0.731 50 20 JBGD C[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1840034054 YWICYQDGTGTUBD-XIKOKIGWSA-N 470.324 -0.462 50 20 JBGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccnc3CS(C)(=O)=O)C2)C1 1840150654 OVFFRAXKHUVNRQ-OXQOHEQNSA-N 489.978 -0.050 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn4ncccc34)C2)C1 1840183857 DVRMQMDFUTUQOX-OAQYLSRUSA-N 459.507 -0.828 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccn4ccnc34)C2)C1 1840184506 RBRIEVCRBYCSEF-QFIPXVFZSA-N 458.519 -0.223 50 20 JBGD Cc1nnc(NNC(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)[nH]c1=O 11335823 WKBQVYQEIPSVDU-UHFFFAOYSA-N 483.938 -0.117 50 20 JBGD Cn1c(C=NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)nc2c1c(O)nc(=O)n2C 920364613 AQSALPRABQGLND-UHFFFAOYSA-N 459.488 -0.079 50 20 JBGD COCCN1C(=O)/C(=C/NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)C(=O)NC1=S 920978843 UBILLGUWORJSLP-NTCAYCPXSA-N 481.556 -0.521 50 20 JBGD Cc1ccc(C(=O)NCC(=O)N2CCO[C@@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)cc1 1783939923 NSLUWTYUMNJPGT-HSZRJFAPSA-N 459.547 -0.072 50 20 JBGD Cn1c(=O)n(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]3C2)c2ccccc21 1784092599 NKDAQZXLKYWZAZ-USJZOSNVSA-N 450.923 -0.081 50 20 JBGD C[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)n1cccc1C=O 1786993292 CAEPWTSZVGVHHZ-OQRYQMPQSA-N 453.304 -0.165 50 20 JBGD Cc1nc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CN(C)NC(=O)NCc2ccccc2)C3)no1 1794061868 VNFBSOSPGPVDFZ-OPMZPASUSA-N 485.545 -0.144 50 20 JBGD CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1 1796190467 ACBNCCFHTJTJHN-GSEOLPGOSA-N 453.308 -0.911 50 20 JBGD C[C@H](NC(=O)c1ccccn1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1800202267 HAYOJKXBKSTNAG-ZTENYAIWSA-N 481.513 -0.898 50 20 JBGD O=C(NC[C@@H]1CCN(C(=O)[C@H]2CCCS2(=O)=O)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807372271 DAJRABJFEJYTSF-DFQSSKMNSA-N 471.344 -0.342 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(N)=O)C2)C1 1832551950 WHSCBKRDCOCFHO-DJJJIMSYSA-N 477.946 -0.757 50 20 JBGD Cc1nc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)ccc1F 1833461834 AMKMMBHNOPPSSH-QFIPXVFZSA-N 472.477 -0.089 50 20 JBGD C#CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3cnccc3C(=O)NN)CC2)CC1 1833467806 ARXGUEPVTORRDY-INIZCTEOSA-N 456.547 -0.091 50 20 JBGD O=C(CNC(=O)c1cccnc1)NC1CCN(C2CCN(C(=O)[C@@H](O)CCl)CC2)CC1 1833769874 ZKYOGEKXDTULGY-SFHVURJKSA-N 451.955 -0.017 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)c3ccc4nncn4c3)CC2)CC1)c1ccc(B(O)O)cc1 1834798512 FBJMDSHINLYVNM-UHFFFAOYSA-N 476.346 -0.092 50 20 JBGD O=C(CCBr)N1CCO[C@@]2(COCCN(C(=O)CS(=O)(=O)N3CCCC3)C2)C1 1834821376 GYZBPZXVRYOZHX-KRWDZBQOSA-N 482.397 -0.347 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC1CCN(C2CCN(C(=O)c3ccnnc3)CC2)CC1 1835737224 XYBHIWXRLNKGMD-UHFFFAOYSA-N 452.519 -0.026 50 20 JBGD Cc1nc(N)sc1C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835935467 GNJONFBTWQKJPI-FQEVSTJZSA-N 460.321 -0.903 50 20 JBGD Cc1cnn([C@H](C)C(=O)N2CCOC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)c1 1835940168 XHTNOUJOOARIGR-VGOFRKELSA-N 456.308 -0.797 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCc4ccccc4O3)C2)C1 1835940203 YZKBOHWTDRCRIV-RCZVLFRGSA-N 480.326 -0.170 50 20 JBGD CC(=O)OC[C@H](OC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1837502980 OKJZQYJJXOQADY-GUYCJALGSA-N 455.291 -0.259 50 20 JBGD CN1CCC[C@@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)C1 1839066632 NXPRLJPZVCCTSP-ZHRRBRCNSA-N 460.535 -0.903 50 20 JBGD CCn1cnc2c1c(=O)n(CC(=O)NNC(=O)[C@@H](C)S(C)(=O)=O)c(=O)n2Cc1ccccc1 918017475 YNSSEMQHFRLKKJ-CYBMUJFWSA-N 476.515 -0.992 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](N)Cc2cccnc2)C1 1778057295 QBELBNZANBEKIA-DCLXLUIPSA-N 481.557 -0.222 50 20 JBGD C[C@@H](NC=O)C(=O)N1CC[C@@]2(CN(C(=O)CN(C)NC(=O)NCc3ccccc3)CCO2)C1 1781247108 FPCNRSCKWAOWMB-VGOFRKELSA-N 460.535 -0.703 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C(=O)Nc1cccnc1)C2 1782215176 XDWAYFDJNCEHOT-VGOFRKELSA-N 460.535 -0.093 50 20 JBGD Cn1c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cnccc4C(=O)NN)C[C@@H]32)cccc1=O 1785870537 YJNQTTSQTBTNGA-OWQGQXMQSA-N 454.487 -0.709 50 20 JBGD CC(C)(C)OC(=O)NCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795737000 RRGNKMCBKOFQLE-XEMDLRDOSA-N 475.351 -0.126 50 20 JBGD Cc1cc(C(N)=O)cc(C)c1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795739015 MEJMXPMKURLYMS-RMFSNUHRSA-N 465.315 -0.401 50 20 JBGD C=CC(=O)N[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN(C)NC(=O)NCc1ccccc1 1799097195 IEULFIXOUGJPSE-NSAZKJPHSA-N 486.573 -0.387 50 20 JBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(N3CCOCC3)n1)C2 1801011115 CZSLDZZCKMCSBL-FAQVEIGNSA-N 474.562 -0.506 50 20 JBGD CC(C)(C)OC(=O)N1[C@H]2C[C@H]2C[C@@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1802138363 ZRWIHTCNHCXTOS-DHTLZVBUSA-N 499.373 -0.033 50 20 JBGD O=C(NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807371079 PERQSRSUHKCTQB-DENIHFKCSA-N 473.103 -0.925 50 20 JBGD Nc1n[nH]c(CCC(=O)N2CC[C@H](CNC(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)n1 1807375356 OKESHMUMPGFLOU-UZLBHIALSA-N 463.307 -0.586 50 20 JBGD O=C(/C=C\C(=O)NC1CC1)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1810124282 ICJCZDGHVYVQIN-ADTVPTKKSA-N 462.315 -0.084 50 20 JBGD O=C(N[C@@H]1CCc2nc(NC(=O)c3n[nH]cc3[N+](=O)[O-])sc2C1)c1ccc(B(O)O)cc1 1820298327 NMIYOJKUKJDIPX-LLVKDONJSA-N 456.249 -0.006 50 20 JBGD CN(CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1)C(=O)c1ccccc1 1831145745 TXSWXQIXSSEMQK-VWLOTQADSA-N 495.341 -0.791 50 20 JBGD O=C(C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1)c1ccccc1 1834703809 JFYJVHAHAHYGFE-QHCPKHFHSA-N 452.272 -0.681 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)CCN3CCOC3=O)CC2)CC1)c1ccc(B(O)O)cc1 1834798490 BPSIPVRUEYTLJY-UHFFFAOYSA-N 472.351 -0.606 50 20 JBGD CN(CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CC(C)(C)O)CCO2)NC(=O)NCc1ccccc1 1835267961 WYWFOCJJSJMXEL-DEOSSOPVSA-N 491.589 -0.050 50 20 JBGD C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1)n1cccc1C=O 1835928644 UBKYJAHOYFRORV-UZUQRXQVSA-N 469.303 -0.688 50 20 JBGD CC(C)n1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)n1 1835931356 NUEDZLLKXYYYEC-QFIPXVFZSA-N 456.308 -0.472 50 20 JBGD Cc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)c(O)c1 1835941118 HNHWDAVZBYRRNK-QHCPKHFHSA-N 454.288 -0.236 50 20 JBGD C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1)n1cccc1C=O 1837457599 KUOWKGIOZXYHQL-MWTRTKDXSA-N 484.513 -0.370 50 20 JBGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=O)c3cc(C)on3)CCO2)C1 1837550049 KOQGFDXTMMSWPK-AUUYWEPGSA-N 458.899 -0.577 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCCC12CN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O)C2 1846385617 ZYELHTUISWOEPY-JKSUJKDBSA-N 467.567 -0.209 50 20 JBGD Cn1c(=O)c2c(ncn2CC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)[C@H](F)Br)n(C)c1=O 1848151001 UBSLQKAZKYQGOC-KWBADKCTSA-N 471.287 -0.674 50 20 JBGD C[C@H](O)CNS(=O)(=O)c1ccc(C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1 728328211 QXDANBIBBMEHCG-UGSOOPFHSA-N 493.494 -0.510 50 20 JBGD CCn1cnc2c1c(=O)n(CC(=O)NNC(=O)[C@@H](NC(=O)OC)C(C)C)c(=O)n2Cc1ccccc1 730999901 ANPJZTACQVLQIZ-KRWDZBQOSA-N 499.528 -0.044 50 20 JBGD Cc1nc2ncccn2c1C(=O)N1CC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1777900985 URIMXLCVOKXFRW-JOCHJYFZSA-N 464.486 -0.206 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)/C=C/C(=O)NCc3ccco3)CCO2)C1 1779032402 QOKXDSNZKWXPAT-CRTIWDKESA-N 482.497 -0.406 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)c3nn[nH]c3C(F)(F)F)C2)C1 1780360543 FNSMSFJHZZUJDX-KRWDZBQOSA-N 453.186 -0.739 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](O)CCNC(=O)OC(C)(C)C)C2)C1 1781342793 NLSHOMLZRFFNHL-ZHRRBRCNSA-N 485.582 -0.535 50 20 JBGD COC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CS(=O)(=O)N3CCCC3)[C@H]2C1 1787507029 FODKQBPWIITTDE-VGWMRTNUSA-N 451.973 -0.355 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1cc(-n2ccnc2)ccn1 1789372242 VZNAMLFOFNXSME-XJABCFGWSA-N 475.314 -0.146 50 20 JBGD CN(CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(N)=O)C[C@@H]21)NC(=O)NCc1ccccc1 1789726617 GBNAAJPCOGNOOW-FHWLQOOXSA-N 474.562 -0.422 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)[C@H]1CC[C@@H]2CCC(=O)N2C1 1789768248 BZQWTPNKCLGCOY-WJRACZLCSA-N 469.347 -0.639 50 20 JBGD C[C@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(=O)n4[nH]nnc4n3)C[C@@H]21 1791057827 QRJWSUYEPKHVET-GMOBBJLQSA-N 454.285 -0.811 50 20 JBGD C[C@@H](Cn1ccnc1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21 1791630538 OFXVMGFKKQTRNX-LNMJFAINSA-N 455.519 -0.189 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1CCS(=O)(=O)CC1 1794089978 YWWJCXLLQVBTGS-MOINTJSASA-N 478.575 -0.511 50 20 JBGD O=C(NC[C@H]1CCN(C(=O)c2cc(CO)on2)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807360267 JDSKJTKPDLKFGQ-UZLBHIALSA-N 450.260 -0.125 50 20 JBGD O=C(NC[C@H]1CCN(C(=O)CNC(=O)C(F)(F)F)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807375789 VMZKFRCFTRBNLA-CRAIPNDOSA-N 478.236 -0.241 50 20 JBGD O=C(CN1C(=O)C=CC1=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1813172001 HXLZHMJRKMQYFI-JTSKRJEESA-N 462.271 -0.994 50 20 JBGD CN1CCN(CCC(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2ccc(B(O)O)cc2)CC3)CC1 1814577911 IMDHDLYCMCFLQF-KRWDZBQOSA-N 471.392 -0.314 50 20 JBGD Cc1ccc(=O)n(C(C)(C)C(=O)N2CCOC[C@@]3(CN(C(=O)[C@@H](O)CCl)CCO3)C2)n1 1830730792 DYRAKBKRJOPNOM-MGPUTAFESA-N 456.927 -0.657 50 20 JBGD O=C([C@H](O)CCl)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@@]34C(=O)Nc3ccccc34)C2)C1 1830739056 XFQNXQBJJMLEFI-WUVXFVIISA-N 463.918 -0.048 50 20 JBGD Cc1noc(C)c1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1834065627 HAQCWZDKTJDXRQ-NRFANRHFSA-N 458.475 -0.326 50 20 JBGD CN(CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccnn1C)CCO2)NC(=O)NCc1ccccc1 1834235329 APLHOHFBXXLIOV-XMMPIXPASA-N 499.572 -0.164 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)Cn3nnc4ccccc43)CC2)CC1)c1ccc(B(O)O)cc1 1834797517 SPIZOGJRVZCRJP-UHFFFAOYSA-N 490.373 -0.004 50 20 JBGD Cc1nccc(C(=O)N2CCC(N3CCC(NC(=O)c4ccc(B(O)O)cc4)CC3)CC2)n1 1834798681 XITAPQDOECMAJF-UHFFFAOYSA-N 451.336 -0.036 50 20 JBGD N[C@@H](Cc1cccnc1)C(=O)NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1835095942 QXTOORBASXALSN-QHCPKHFHSA-N 479.390 -0.483 50 20 JBGD N=C(N)NCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](Br)Cc3ccccc3)C2)C1 1835578423 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COCCOCCOCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](Cl)COC)CCO2 1840156456 SJTNJXWRUSPOSW-YLJYHZDGSA-N 466.959 -0.234 50 20 JBGD COc1ccc(F)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)c1 1840684939 AOWSJBNKEPJPDV-HSZRJFAPSA-N 472.278 -0.102 50 20 JBGD Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NNC(=O)c1n[nH]c(=O)c2ccccc12 16231349 LCGPIZUECHWZNO-UHFFFAOYSA-N 460.472 -0.643 50 20 JBGD Cc1cc(C)c(S(=O)(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c(C)c1NS(C)(=O)=O 728509763 MLHPXLQSACSAOR-NSHDSACASA-N 456.568 -0.769 50 20 JBGD CC(=O)c1ccc(S(=O)(=O)NCC(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc1 913465328 XZJNEZUECSOFEQ-UHFFFAOYSA-N 482.540 -0.121 50 20 JBGD Cc1cn(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cnccc3C(=O)NN)C2)c(=O)nc1O 1779374931 GYFLXBGELPDMPW-UZUQRXQVSA-N 499.528 -0.916 50 20 JBGD CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)N1CC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1781339355 RYKFPYNQLRWBDH-WZONZLPQSA-N 491.350 -0.914 50 20 JBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2)c1cnc2c(c1)CCNCC2 1781525604 DWCNKNVGBRJDIB-ZEQKJWHPSA-N 492.385 -0.109 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)CN3C(=O)CSC3=S)C2)C1 1785547032 PEWAUZNVXVGINP-SFHVURJKSA-N 457.578 -0.950 50 20 JBGD N[C@@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1)c1cccnc1 1786979947 SDPTWPJXWFYEKD-VMXMFDLUSA-N 452.320 -0.555 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=O)c3cc(C)on3)C[C@@H]21 1787508341 GFFDHLWHNJGPOD-TVHLAIKQSA-N 499.528 -0.173 50 20 JBGD CC(C)(C)n1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cnccc4C(=O)NN)[C@H]3C2)nn1 1788609929 DSSZXDOUVNWKJS-OWQGQXMQSA-N 470.534 -0.061 50 20 JBGD COc1nccnc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1 1788611508 HGSSGLTZYORANK-RCBQFDQVSA-N 455.475 -0.609 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCNC3=N)C[C@@H]21 1789222171 CCVPLCXDOAHQFL-FNHZYXHNSA-N 488.501 -0.047 50 20 JBGD CC(=O)OC[C@H](OC(C)=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnccc1C(=O)NN 1798440118 CUFWYZNZEYTJBD-KRXQYRFLSA-N 461.475 -0.568 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc2ncnn2c1 1799084756 NCCAJSJRZKSQGU-FKWFMORESA-N 478.513 -0.005 50 20 JBGD COCCOCCOCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C 1801012730 HRIPZCVQAMXJNO-UPHUGPLXSA-N 458.556 -0.981 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H](CNC(=O)[C@@H](N)CCC(N)=O)[C@@H]1c1cccnc1 1807040134 GOULBJJDYMKEPI-RWJOSRSFSA-N 482.545 -0.186 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H](CNC(=O)Cn2ccncc2=O)[C@H]1c1cccnc1 1812343158 QKXMTTYJLXPMGZ-IIBYNOLFSA-N 476.497 -0.343 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CC(=O)OC(C)(C)C)CCO2 1831995010 STGWXYQEYWUVLC-OAQYLSRUSA-N 456.540 -0.452 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(CN(C(=O)C[C@H]3CCCCO3)CCO2)C1 1832344808 QXWUHDVXLNCFLT-OPAMFIHVSA-N 461.519 -0.286 50 20 JBGD COC[C@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)CN3CCS(=O)(=O)CC3)CC2)CC1 1833713810 DJXQHALKRYCGPW-SFHVURJKSA-N 479.043 -0.458 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnc(N(C)C)o1)CCO2 1833899718 USTNKHIPJGSPLC-IBUSPFOHSA-N 487.517 -0.055 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)CN3CCSCC3)CC2)CC1)c1cccc(B(O)O)c1 1834800517 JKPLWLQHPXVDBH-UHFFFAOYSA-N 474.436 -0.400 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)CNC(=O)c3ccco3)CC2)CC1)c1cccc(B(O)O)c1 1834801056 LTAFRCCBIZYCHT-UHFFFAOYSA-N 482.346 -0.425 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCC(N2CCC(NC(=O)[C@@H](N)Cc3cccnc3)CC2)CC1 1835099423 XJEVLEGRQWMLCK-QFIPXVFZSA-N 494.600 -0.165 50 20 JBGD Nc1ccccc1/C=C/C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1835776939 VYSBZBBZFBWEAE-REXAPNPKSA-N 465.315 -0.268 50 20 JBGD O=C(c1ccc2c[nH]nc2c1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835928747 XRLYXXFCSATEDE-QHCPKHFHSA-N 464.287 -0.374 50 20 JBGD COc1cc(F)ccc1CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835933629 DVUOIMRAISPSMO-XMMPIXPASA-N 486.305 -0.173 50 20 JBGD CC(C)c1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)on1 1835938003 FIEAZUFAPQOPMT-JOCHJYFZSA-N 457.292 -0.138 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cnc[nH]3)C2)C1 1837456906 PPXVGWQHOYRPFF-NRFANRHFSA-N 457.491 -0.889 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccccc3C(N)=O)C2)C1 1837459508 GIZRJDPOXNHZQH-QHCPKHFHSA-N 482.497 -0.832 50 20 JBGD COc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)ccc1O 1838973057 KDHRTONLUSTARA-QHCPKHFHSA-N 470.287 -0.536 50 20 JBGD COC[C@H](NC(C)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](F)Br)CCO2)C1 1839200905 RXRBFCYTMIQTDI-ZENOOKHLSA-N 454.293 -0.716 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCc3ccccc3O1)CCO2 1840136943 PIPDWNRFTSVJRT-WIOPSUGQSA-N 480.326 -0.170 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CCCC12CN(C(=O)c1cc(=O)n3[nH]nnc3n1)C2 1844692374 PZBNFUCYAHOWHA-UHFFFAOYSA-N 482.413 -0.223 50 20 JBGD COc1cc2c(cc1OC)[C@@H](CC(=O)NNC(=O)[C@@H](C)NC(C)=O)N(S(C)(=O)=O)CC2 913161289 IAJCEUZUSRTTAM-IAQYHMDHSA-N 456.521 -0.375 50 20 JBGD C#CCNC(=O)NNC(=O)Cn1c(=O)c2c(ncn2CCOC)n(Cc2ccccc2)c1=O 915908188 KBPUOVIETAQFSX-UHFFFAOYSA-N 453.459 -0.982 50 20 JBGD COCCN1CCC(NC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)CC1 920814186 CKKSTBZKWMMZAZ-UHFFFAOYSA-N 469.564 -0.238 50 20 JBGD COCCN1CCC(NC(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)CC1 920814308 SMGQNLFLDLYPAB-UHFFFAOYSA-N 455.585 -0.245 50 20 JBGD C[C@@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cnccc1C(=O)NN)C2)n1cnnn1 1782602375 BPSOKPHENKWVRZ-GQWAEJPESA-N 457.495 -0.940 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21)c1cccc(B(O)O)c1 1786984158 NJKRSEMFIVZVPB-OIRWYUSJSA-N 459.308 -0.511 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CC[C@H]4CCC(=O)N4C3)C[C@@H]21 1791290934 SUGJXMUBTOQARZ-BCYZHJNNSA-N 463.579 -0.260 50 20 JBGD CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1 1796188491 NESSIETZHDDRPM-RDGPPVDQSA-N 475.351 -0.106 50 20 JBGD N#Cc1cc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)ccc1F 1799325091 ALHXWUFMFYHPHI-OPMZPASUSA-N 451.263 -0.177 50 20 JBGD C[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)[S@](=O)c1ccccc1 1800213294 VCYAZZWCCCYEEO-FGOLEYRISA-N 470.356 -0.234 50 20 JBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/C(=O)NCc1ccccc1)C2 1801009205 RSSBGVXOFOKREB-NBNLVUPTSA-N 471.558 -0.178 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)c2cnc(O)nc2O)[C@H]1c1cccnc1 1808279342 BZNOEEWYJRQJIR-RDTXWAMCSA-N 457.491 -0.025 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)[C@H](O)N2CCOCC2)[C@@H]1c1cccnc1 1813073461 MQPSJILRLWTEIP-WMQCIHAUSA-N 462.551 -0.889 50 20 JBGD O=C(Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)C=CC2=O)[nH]n1)c1cccc(B(O)O)c1 1817479500 NZAOWZHLZFWDDZ-MRXNPFEDSA-N 451.248 -0.680 50 20 JBGD NNC(=O)c1ccncc1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CCN1C(=O)C=CC1=O)CC2 1819794069 XXMXHCBFEURHKN-LLVKDONJSA-N 483.510 -0.318 50 20 JBGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc3n(n1)CCNC3=O)CC2 1826080535 PLGJIGQTWAAMHG-NSHDSACASA-N 474.547 -0.318 50 20 JBGD COC(=O)[C@@H]1CC[C@@H](C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)C1 1830709054 SQWYIQVVCBOCGQ-PNCHPQGNSA-N 474.319 -0.974 50 20 JBGD CC[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)C[C@@H](NC)C(=O)O)CCO2)C1 1835764230 QWALYLOYFADIGV-AHIWAGSCSA-N 450.330 -0.321 50 20 JBGD Nc1ccccc1/C=C/C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1835776940 VYSBZBBZFBWEAE-VFUOJUBFSA-N 465.315 -0.268 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)c3cnn4ccccc34)C2)C1 1835928392 NSQQGVUNRCMKNE-QHCPKHFHSA-N 464.287 -0.602 50 20 JBGD O=C(COc1ccc(F)cc1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835929443 OUSVUVJFCGSJPD-QHCPKHFHSA-N 472.278 -0.346 50 20 JBGD Cc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)nc1 1837456544 JXQOBOKCHOMPIL-JOCHJYFZSA-N 454.487 -0.228 50 20 JBGD CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCBr)C2)C1 1837494791 ATEIBGJDGIWBKU-CRAIPNDOSA-N 479.324 -0.277 50 20 JBGD CCCC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C2)C1 1837673482 DBXICFHFTAKHFZ-COGWGQCSSA-N 490.561 -0.118 50 20 JBGD C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1)N1CCN(C)CC1 1837714464 HIIMPQZZUBVXFI-NQIIRXRSSA-N 456.660 -0.070 50 20 JBGD CC(=O)N/C(=C\c1ccco1)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1839389118 WLVRNDARUKBCMV-ZGPVROFDSA-N 455.895 -0.187 50 20 JBGD CC(C)(C)OC(=O)N1C[C@](C)(O)C[C@H]1C(=O)N1CCCC12CN(C(=O)c1cccc(B(O)O)c1)C2 1846230425 NHMDNJVQDKFYAA-FDDCHVKYSA-N 487.362 -0.056 50 20 JBGD CCNC(=O)COc1ccc(C=NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)cc1OC 730570733 KYVOZVPIEWELNN-UHFFFAOYSA-N 464.504 -0.755 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@]2(CN(C(=O)CC[C@H](N)C(N)=O)CCO2)C1 1780096851 IVULLBROSBEEPV-HRAATJIYSA-N 477.474 -0.444 50 20 JBGD COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)[C@H](O)CCl)CCO2)C1 1783600338 KKGFZWJMMRXQJQ-LRDNONRASA-N 477.942 -0.128 50 20 JBGD COC(=O)[C@H]1CC[C@@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)C1 1786978824 ZRXXIEQCLVAGPI-ORZNMBHWSA-N 458.320 -0.451 50 20 JBGD C[C@@](Cl)(CCl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCS(=O)(=O)CC1 1793838240 QUEPTRMCSMUQHG-IARIHHJXSA-N 456.392 -0.457 50 20 JBGD COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795737125 VBWCOZRDFGNVRB-ZRSLWSEBSA-N 456.304 -0.675 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)[C@@H]1Cc2[nH]nc(C(F)(F)F)c2C1 1800320535 IFOGBKOGFAJMRC-FLTUCWPJSA-N 492.263 -0.274 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H](CNC(=O)C[C@@H]2NC(=O)NC2=O)[C@@H]1c1cccnc1 1804342854 FCYDFFWIQVTGSK-JAGRIADRSA-N 494.512 -0.181 50 20 JBGD CCS(=O)(=O)N[C@@H](C)C(=O)N1CCCC2(CCN(C(=O)c3cccc(B(O)O)c3)CC2)C1 1805958709 YZDZORWAHFATTR-INIZCTEOSA-N 465.381 -0.461 50 20 JBGD CC(=O)NC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807363392 DNFZXTLSEZTPOA-QUCCMNQESA-N 452.320 -0.004 50 20 JBGD O=C(CN1C(=O)CSC1=S)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1814186755 WUDKDELEFZGZSH-OXJNMPFZSA-N 498.395 -0.059 50 20 JBGD CCS(=O)(=O)N[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1 1817470248 NFDSJFUYPGACOZ-CXAGYDPISA-N 477.352 -0.277 50 20 JBGD O=C(N[C@H]1CCc2nc(NC(=O)c3n[nH]cc3[N+](=O)[O-])sc2C1)c1cccc(B(O)O)c1 1820298607 RBHFZVVKVJAIQK-NSHDSACASA-N 456.249 -0.006 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCC([C@H]2CCCCN2C(=O)CCN2C(=O)C=CC2=O)CC1 1824771442 TYKWMOJWZXDYAN-HXUWFJFHSA-N 467.331 -0.085 50 20 JBGD C[C@@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nccnc3C(N)=O)C2)C1 1830543450 SJOOXAUAZVPCQM-SGTLLEGYSA-N 470.324 -0.324 50 20 JBGD COc1nn(C)cc1C(=O)NC1CCN(C2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1 1834082877 DAQRQFBWMNWAOE-UHFFFAOYSA-N 463.583 -0.013 50 20 JBGD CCOC(=O)/C=C/C(=O)NC1CCN(C2CCN(C(=O)c3cnccc3C(=O)NN)CC2)CC1 1834405048 ZZWQHOLTGIJELC-ONEGZZNKSA-N 472.546 -0.010 50 20 JBGD O=C(CCBr)NC1CCN(C2CCN(C(=O)CN3C(=O)CNC3=O)CC2)CC1 1834422365 NMLYYNQKGUSPSG-UHFFFAOYSA-N 458.357 -0.105 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(=O)cco1)CCO2 1834603818 QGPDLTPJSDFGLP-NMWDDECMSA-N 471.470 -0.156 50 20 JBGD N[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1)c1cccc(Cl)c1 1835731038 RNFHNDOWXFJONK-NZQKXSOJSA-N 487.749 -0.210 50 20 JBGD O=C1CCc2ccc(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)c3ccc(B(O)O)cc3)CCO4)cc21 1835932288 XYJMJJHTYGHBHR-RUZDIDTESA-N 478.310 -0.121 50 20 JBGD Cc1nn2cc(CC(=O)N3CCOC[C@]4(C3)CN(C(=O)c3cccc(B(O)O)c3)CCO4)nc2s1 1835934212 QBAQINVBEDITLU-QFIPXVFZSA-N 499.358 -0.908 50 20 JBGD Cn1ccc(=O)cc1C(=O)NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1836108608 LDAMDLFMXBWURA-UHFFFAOYSA-N 466.347 -0.436 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)C3=NNC(=O)C3)CCO2)C1 1837358201 VDLRENCNXAUMSF-XOBRGWDASA-N 487.941 -0.549 50 20 JBGD C[C@](O)(CC(=O)O)CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839202514 IIMQYXZSIFSCII-BMFZPTHFSA-N 455.277 -0.251 50 20 JBGD O=C(CN1C(=O)CSC1=S)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839203779 WFDPAGLMANRRSV-DOMZBBRYSA-N 484.369 -0.006 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(O)ccc3F)CCO2)C1 1839295682 VQLKQMQEJRHVBT-QFIPXVFZSA-N 473.461 -0.086 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(O)cc1F)CCO2 1839315873 PSPQCMOSOLPVHS-QFIPXVFZSA-N 458.251 -0.405 50 20 JBGD O=C([C@H](O)CCl)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1C[C@@]13C(=O)Nc1ccccc13)CCO2 1840016395 CAIYMEKYVLXVJY-VIDZHXABSA-N 463.918 -0.048 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccccc3C(N)=O)C2)C1 1840185661 URDFYUJLZVYEAG-JOCHJYFZSA-N 461.519 -0.772 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)c2ccc(N3C(=O)C=CC3=O)cc2)C1 1846891665 VONQCCKZAJFJDQ-UHFFFAOYSA-N 459.267 -0.073 50 20 JBGD COc1cc2c(cc1OC)[C@@H](CC(=O)NNC(=O)N[C@H](C)C(=O)N(C)C)N(S(C)(=O)=O)CC2 916577510 GXPHNVQHEJKXPQ-IUODEOHRSA-N 485.563 -0.240 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)[C@H]1CC(c2ccccc2)=NN1 1790549719 QNWJTRNTAMHXQR-MHADKKCISA-N 476.342 -0.274 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)NC(=O)OC(C)(C)C)C[C@@H]21 1791293923 OQDGEKSVNRJPAH-XSWJXKHESA-N 471.555 -0.818 50 20 JBGD N[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1)c1cccc(Cl)c1 1795737490 NIGVXJRDPPYRGE-WOUAJJJCSA-N 457.723 -0.077 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCCCC1=O)C2 1796446077 LJQJHJAGCHKIGQ-OYSOCFBGSA-N 458.519 -0.278 50 20 JBGD C[C@@H](NC(=O)c1ccccc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1802111781 IXDWEPCJXGGXQE-KBMWQNTOSA-N 465.315 -0.612 50 20 JBGD CN(CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cnccc2C(=O)NN)n[nH]1)C(=O)C(=O)O 1819403851 JBRBHQKWSRBULG-CQSZACIVSA-N 472.462 -0.743 50 20 JBGD CC(=O)OC[C@@H](OC(C)=O)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CCC(=O)NN(C)C)CC2 1819860893 BXEFGAHLEOGSSE-DZGCQCFKSA-N 483.547 -0.077 50 20 JBGD C[C@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCS(=O)(=O)CC3)C2)C1 1830535657 RTFHFRXKHDYSNN-CRAIPNDOSA-N 496.424 -0.796 50 20 JBGD Cc1cn(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)CBr)CCO3)c(=O)nc1O 1830545839 NLWKAMVCEOQXJM-ORAYPTAESA-N 487.351 -0.255 50 20 JBGD NC(=O)c1ncccc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1833315237 PFGYBDCPEUGAEL-GUYCJALGSA-N 459.272 -0.059 50 20 JBGD COc1ncc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)cc1F 1833484434 NIHULLUXAUQHSO-JOCHJYFZSA-N 473.266 -0.707 50 20 JBGD CC(=O)NC(C)(C)C(=O)NC1CCN(C2CCN(C(=O)c3cnccc3C(=O)NN)CC2)CC1 1833486604 MOHMNOIZWSUGGZ-UHFFFAOYSA-N 473.578 -0.215 50 20 JBGD O=C(Cc1cccc(F)c1)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1835021874 HZIKIYMKQCHWAE-QHCPKHFHSA-N 456.279 -0.182 50 20 JBGD COC(=O)[C@H]1CC[C@H](C(=O)N2CCOC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)CC1 1835933915 GTGDMWFXPDPVBN-QZTZHPFYSA-N 488.346 -0.584 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)C3CCC(CO)CC3)C2)C1 1837455853 GASPZWZWFXZISQ-OCJFHSIUSA-N 475.546 -0.446 50 20 JBGD O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1837489901 YDMZEECDNRCDME-XMMPIXPASA-N 470.331 -0.865 50 20 JBGD NC(=O)c1nccnc1C(=O)N1CCC(OC2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1837919144 JMUAUXVFFQEMMC-UHFFFAOYSA-N 481.318 -0.819 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(O)nc1)CCO2 1838649261 ZTXDAOUIRNECTK-IBUSPFOHSA-N 470.486 -0.009 50 20 JBGD COc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)cc1N(C)C 1839116157 XTZRBZCPCVJEEN-RUZDIDTESA-N 497.357 -0.175 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(-c4ccncc4)[nH]n3)C2)C1 1840185454 MEJCOTPPQRIFPN-QHCPKHFHSA-N 485.545 -0.085 50 20 JBGD COCc1c[nH]c(C(=O)N2CCOC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)c1 1840186005 YDUXIHHDAVOXDN-OAQYLSRUSA-N 451.524 -0.396 50 20 JBGD O=C(COC(=O)Cn1c(O)nc2ccccc2c1=O)NNC(=O)[C@@H]1COc2ccccc2O1 728324129 QBUGGWOXGKKXSR-INIZCTEOSA-N 454.395 -0.367 50 20 JBGD CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 919886185 RCICJZWZISILPH-UKRRQHHQSA-N 478.618 -0.087 50 20 JBGD COCCn1ccc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cnccc3C(=O)NN)C2)n1 1779373169 JZYNMLZLDVWSAH-AUSIDOKSSA-N 485.545 -0.031 50 20 JBGD CC(=O)Nc1cccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)n1 1785532927 JBHYBVADDJICHY-QRFRQXIXSA-N 466.303 -0.373 50 20 JBGD Cn1nc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)c2c1CCC2 1786979703 MPPCZJDQFLUCTE-QSFXBCCZSA-N 452.320 -0.504 50 20 JBGD Cc1cc(C(N)=O)cc(C)c1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786984167 OBAJGSHXZDHJSU-YYWHXJBOSA-N 479.342 -0.011 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc4ncccn34)C[C@@H]21 1788610508 WSYSISVATIJFHV-OWQGQXMQSA-N 464.486 -0.365 50 20 JBGD Cc1cn2c(=O)c(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)c3ccc(B(O)O)cc3)C4)cnc2s1 1797062940 QGXBSYDGGFSDLE-JLVBRIDZSA-N 482.327 -0.739 50 20 JBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1797751547 FTJWNMFLFWYXJU-CWYBWMOVSA-N 460.491 -0.583 50 20 JBGD CCOc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)nn1 1798751981 DSWYDPISTOTNHU-IVWMJMPLSA-N 455.475 -0.609 50 20 JBGD CC(=O)N(C)CCC(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807362819 MHJCLPYIRAWEOL-KNQAVFIVSA-N 452.320 -0.051 50 20 JBGD O=C(COc1ccc(O)nn1)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1812351188 QNHRHWSYKOUTHX-VGSWGCGISA-N 477.286 -0.344 50 20 JBGD O=C(CCN1CCOC1=O)N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815357113 YXMYTCWJRCFDQE-AWEZNQCLSA-N 458.305 -0.109 50 20 JBGD COC[C@H](NC(C)=O)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 1829114287 RINDEQBASYAAHF-SFTDATJTSA-N 459.352 -0.249 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCC(F)(F)C1)CCO2 1829650318 ORESNKNWHBOXMK-JXFKEZNVSA-N 452.263 -0.128 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CNC(=O)O1)CCO2 1831571816 NLEPCUSTGOIGCN-UWJYYQICSA-N 492.441 -0.302 50 20 JBGD COc1ncc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)cc1F 1833484880 SKLCYLNNNBRSDF-QFIPXVFZSA-N 488.476 -0.388 50 20 JBGD CNC(=S)NCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCBr)CCO2 1834823031 FKADFPWYZWIGCP-INIZCTEOSA-N 451.387 -0.288 50 20 JBGD NC[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1)c1ccccc1 1835812083 PCIZDSIUWFFOQA-ZJSXRUAMSA-N 467.331 -0.821 50 20 JBGD Cc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)nc1C 1835929199 HJXOTNSIONWHDL-HSZRJFAPSA-N 453.304 -0.238 50 20 JBGD Cc1nn(C)c(C)c1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835934335 VVRUWSFOJGNUPB-JOCHJYFZSA-N 456.308 -0.899 50 20 JBGD O=C(C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2)c1ccc(Cl)cc1 1835934422 ZPDNCGRGWKGMDS-HSZRJFAPSA-N 486.717 -0.027 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837531127 WWPHWOPPXUMETK-DRRDTLGUSA-N 469.539 -0.655 50 20 JBGD CCNC(=S)NCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839202798 PZYWCNKMJLCLSK-WFASDCNBSA-N 455.350 -0.383 50 20 JBGD CC(=O)NCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](CCl)NC(=O)OC(C)(C)C)C2)C1 1839856668 DBGPAZMPBXQXNK-YWZLYKJASA-N 476.958 -0.289 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1840182475 DQKYGZZAUFICEP-HSZRJFAPSA-N 457.531 -0.070 50 20 JBGD CC(C)n1cnc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)n1 1840184540 SVWHILSPEMIASM-HXUWFJFHSA-N 451.528 -0.698 50 20 JBGD CC(C)c1cc(C(=O)N2CCOC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)n[nH]1 1840185625 QRRLCJFWTTWDKC-NRFANRHFSA-N 450.540 -0.024 50 20 JBGD C[C@H](C(=O)N1CCCC12CN(C(=O)CN(C)NC(=O)NCc1ccccc1)C2)n1cnnn1 1846646981 WORDMUMJHIARMA-MRXNPFEDSA-N 455.523 -0.216 50 20 JBGD NC(=O)[C@H]1CC(C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)=NN1c1ccccc1 728319611 VVHYODXNSBLAHX-CRAIPNDOSA-N 467.438 -0.363 50 20 JBGD Cc1csc(CC(=O)NNC(=O)COC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)n1 791260513 WWSOWOWLNIRLKZ-UHFFFAOYSA-N 451.486 -0.577 50 20 JBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NCCC(=O)N2CCN(C)CC2)cc1 916433503 YKZXXJPPZPDKRU-UHFFFAOYSA-N 454.553 -0.890 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)CCNC(=O)c3ccccc3)CCO2)C1 1779036226 YJBGKYUNTRVKMW-DEOSSOPVSA-N 480.525 -0.051 50 20 JBGD COC(=O)[C@@H]1CC[C@@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]32)C1 1784087703 YVRWRZDUAXDJLU-ZBRFXRBCSA-N 452.552 -0.072 50 20 JBGD COC(=O)[C@@H]1CCC[C@@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)C1 1786984017 ZACAFKLRJNOBKQ-SACAXFFCSA-N 472.347 -0.061 50 20 JBGD Cn1ncc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cnccc4C(=O)NN)[C@H]3C2)c1Cl 1788609882 BBBZSPOYCKOPAV-UVBJJODRSA-N 461.910 -0.021 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCCn3ccnc3)C[C@@H]21 1788611203 OBHNHPOLSPJDQZ-SNRMKQJTSA-N 455.519 -0.045 50 20 JBGD O=C(CCS(=O)(=O)c1ccccc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1795299202 RYIUFEMAKLQPTP-OPMZPASUSA-N 486.355 -0.566 50 20 JBGD Cn1cnc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)c1C(F)(F)F 1796604019 UFKBYGSHXUXROK-AGGWBTHJSA-N 466.225 -0.364 50 20 JBGD Cc1ccc(C(=O)NCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)cc1 1802118112 BVTHOTDZMDBDLN-HATOLVCRSA-N 465.315 -0.692 50 20 JBGD O=C(NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807363546 MGSKFDQMWSJRDK-KNQAVFIVSA-N 473.103 -0.925 50 20 JBGD CNC(=S)NCCC(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1810308578 VKRCHRPBFZGOOG-YLJYHZDGSA-N 469.376 -0.435 50 20 JBGD O=C1C[C@H](C(=O)NC[C@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)CCN1 1813134400 ZRMYYGWZQXDMCI-BLIXFSHQSA-N 450.304 -0.393 50 20 JBGD C[C@H](C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cnccc1C(=O)NN)CC2)n1cnnn1 1826978831 RHSDOFVEFVOWSB-NXEZZACHSA-N 456.492 -0.385 50 20 JBGD C[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)CCN3CCN(C)CC3)CCO2)C1 1835404684 KBSBJWMISBRYOU-QFBILLFUSA-N 461.401 -0.136 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC1CCN(C2CCN(C(=O)c3cc[n+]([O-])cc3)CC2)CC1 1835737879 LCOSRNYXBWULSR-UHFFFAOYSA-N 467.530 -0.183 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)c3cnc4ccccn34)C2)C1 1835937476 YWIMYXSYGKBFON-QHCPKHFHSA-N 464.287 -0.602 50 20 JBGD O=C1CN(CC(=O)N2CCC(N3CCC(NC(=O)[C@H](F)Br)CC3)CC2)C(=O)N1 1836413719 NATJKCRJUMBQKK-HNNXBMFYSA-N 462.320 -0.200 50 20 JBGD CN(CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1C=CCN1)CCO2)NC(=O)NCc1ccccc1 1836479732 PCJQHFIMALXBDY-GBXCKJPGSA-N 486.573 -0.683 50 20 JBGD CC(=O)O[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1)C(C)C 1837216337 ASEWQGIOTUCDTD-KNQAVFIVSA-N 462.308 -0.976 50 20 JBGD COC(=O)CCCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnccc1C(=O)NN)CCO2 1837460335 BRXRHNCYZJPNQO-QHCPKHFHSA-N 491.545 -0.121 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)c1cc(Cl)ccn1)CCO2 1837862173 UKMFDISOXFDBIQ-NRFANRHFSA-N 459.695 -0.201 50 20 JBGD CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1839203369 JRPBTGMOWZCUEU-BXTJHSDWSA-N 479.958 -0.682 50 20 JBGD Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)nc2nccn12 1839548965 MSDHULNZLZTJEP-QHCPKHFHSA-N 494.512 -0.580 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3Cc4ccccc4O3)C2)C1 1840184422 LKFWUAOBGKRKQF-XXBNENTESA-N 460.531 -0.181 50 20 JBGD O=C1NCCCn2nc(C(=O)N3CCOC[C@]4(C3)CN(C(=O)C(Cl)Cl)CCO4)cc21 1840188454 KLXGWYHTIKRDPY-SFHVURJKSA-N 460.318 -0.110 50 20 JBGD C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1)c1ccccn1 1840501513 KEQQTLOKVJLNQN-SBUREZEXSA-N 453.304 -0.365 50 20 JBGD C[C@@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 728509499 GWYZSGLCRVZPHO-GFCCVEGCSA-N 468.579 -0.892 50 20 JBGD CCOC(=O)[C@H]1CCCN(C(=O)CN(C)C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)C1 728944375 BJBADBOFJVLORU-HNNXBMFYSA-N 458.479 -0.250 50 20 JBGD Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 729275594 PYNULJHLRKBCBM-MRVPVSSYSA-N 451.431 -0.222 50 20 JBGD O=C(COC(=O)c1cccc(CN2C(=O)CNC2=O)c1)NNC(=O)[C@H]1COc2ccccc2O1 825415745 FECSOWIAMXCVIR-QGZVFWFLSA-N 468.422 -0.117 50 20 JBGD C[C@@H](Nc1cnccn1)C(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779031920 HLFGMPFTIMJHQR-SZNDQCEHSA-N 454.491 -0.581 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CCO[C@@]2(CCN(C(=O)CN(CCO)CCO)C2)C1 1783251378 JCESMSUOGOYKBV-HRAATJIYSA-N 493.001 -0.765 50 20 JBGD CN(CC(=O)N1CCO[C@]2(CCN(C(=O)CCn3ccnn3)C2)C1)NC(=O)NCc1ccccc1 1784534158 XFRHLMUHCOXIPE-QHCPKHFHSA-N 484.561 -0.156 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3nnc4ccccc43)[C@H]2C1 1784898801 IVAGUQVXCZYKNM-VHFSOBRXSA-N 478.513 -0.277 50 20 JBGD O=C(Cc1ccc(Br)nc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1799031762 YMAJROMSGKLVSY-CWPLJXCYSA-N 488.147 -0.030 50 20 JBGD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)n2)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807365171 WUQMAQXASDXGHW-KXBFYZLASA-N 463.259 -0.404 50 20 JBGD CN1CCN(CCC(=O)N2CC[C@H](CNC(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)CC1 1807365266 UEVHVHFYWVEJSZ-QPPBQGQZSA-N 479.390 -0.282 50 20 JBGD O=C(O)CSCC(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807366933 IIIVOVPPCRHKDG-UZLBHIALSA-N 457.317 -0.101 50 20 JBGD CC(=O)N[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1810305934 QOZTYLGSMHKSTQ-AZOIQLNYSA-N 453.503 -0.076 50 20 JBGD Cc1cn(CC(=O)N2CC[C@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2c2cccnc2)c(=O)nc1O 1813073033 FKCPMZYWAAIDLB-DYESRHJHSA-N 485.545 -0.269 50 20 JBGD C[C@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)CCN3C(=O)C=CC3=O)CCO2)C1 1832015708 WJYARWCMJNUVGU-AUUYWEPGSA-N 472.336 -0.211 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC1CCN(C2CCN(C(=O)[C@@H]3CNC(=O)C3)CC2)CC1 1835118077 OKPBZNBFQSAHTJ-ZXSUQFSISA-N 471.562 -0.172 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)c3[nH]nc4ncccc34)C2)C1 1835935397 DQBZXUFGTGQVPM-QFIPXVFZSA-N 465.275 -0.979 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)Cn1cncn1)CCO2 1837643577 STDIEQMHKKCDOJ-ZOIRRYDTSA-N 486.533 -0.495 50 20 JBGD CN(CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@](C)(Cl)CCl)C2)C1)C(=O)C(=O)O 1839703890 LJBYLOFJWDLDPQ-IRXDYDNUSA-N 454.307 -0.778 50 20 JBGD O=C([C@H](O)CCl)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1C[C@@]13C(=O)Nc1ccccc13)CCO2 1840016392 CAIYMEKYVLXVJY-DWPZYODISA-N 463.918 -0.048 50 20 JBGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccc(O)nn3)C2)C1 1840035518 USJGORQWSRBWIC-YVEFUNNKSA-N 459.297 -0.199 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCCSC1)CCO2 1840864630 MYACAXMVWNIBRX-YCRPNKLZSA-N 463.560 -0.102 50 20 JBGD C#CCNS(=O)(=O)c1cccc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c1 16594309 YOSIJRZRFJXQFI-UHFFFAOYSA-N 464.525 -0.077 50 20 JBGD C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)NNC(=O)CNC(=O)c3cccs3)CC2)C[C@@H](C)O1 725872175 BPFJOQREJLTVSG-OKILXGFUSA-N 488.592 -0.810 50 20 JBGD C[C@@H](CO)NS(=O)(=O)c1ccc(C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1 728328488 VARXRYAWKRAQSS-SCLBCKFNSA-N 493.494 -0.510 50 20 JBGD COCCCNC(=O)[C@@H](C)N1CCN(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)CC1 728945148 TUHVXQHSZIXYSP-OAHLLOKOSA-N 459.511 -0.825 50 20 JBGD Cc1nnc(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cnccc3C(=O)NN)C2)o1 1779373482 VDEPQNMLAGBPKJ-IIBYNOLFSA-N 457.491 -0.253 50 20 JBGD COc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cnccc4C(=O)NN)[C@H]3C2)nn1 1788609916 CJRIARYZOXNUDN-NUTKFTJISA-N 455.475 -0.609 50 20 JBGD C[C@H](Cn1cncn1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21 1788726424 WVUFZRIQJPHDEP-BODMPHMZSA-N 456.507 -0.794 50 20 JBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(=O)c1cccs1 1794119695 RYVVRJVDSKABLZ-HBCWATKFSA-N 451.549 -0.560 50 20 JBGD COc1nccnc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C(C)=N/NC(=O)c1ccc[nH]1)C2 1794373150 XVTGYMANJQUGPS-AHXAHQIOSA-N 455.475 -0.178 50 20 JBGD COC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2 1800799771 HNBUBZCHVRQGKP-YMSVYLFOSA-N 477.942 -0.368 50 20 JBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1COCCN1C(=O)OC(C)(C)C)C2 1801011637 WUAZQAUZQJIHLO-CLWJZODNSA-N 497.593 -0.415 50 20 JBGD CN1CCN(C2(C(=O)N3CC[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@@H]3c3cccnc3)CC2)CC1 1807363127 ATKVZHZMUIFDLH-GMAHTHKFSA-N 491.401 -0.139 50 20 JBGD CC(C)CNC(=O)C(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1808443908 NPXSRWTWCZAKHU-ICSRJNTNSA-N 452.320 -0.147 50 20 JBGD CC(=O)OC[C@H](OC(C)=O)C(=O)N1CCC2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)CC1 1809978355 BJSNEZQHFBKHQM-FQEVSTJZSA-N 474.319 -0.294 50 20 JBGD CS(=O)(=O)c1cncc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)c1 1830725002 KWBDTLZVHGHTPK-MAUKXSAKSA-N 461.924 -0.845 50 20 JBGD C[C@](O)(C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1)C(F)(F)F 1832161049 UBZVNPXUEBSCKL-ZWKOTPCHSA-N 475.424 -0.932 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCC(N2CCC(NC(=O)CNC(=O)N(C)C)CC2)CC1 1833143661 BJKVSVQAXCNCGU-JVWAILMASA-N 488.593 -0.037 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(OC(F)F)cn1)CCO2 1833639677 WTJMBSSWLPGZLX-JOCHJYFZSA-N 491.256 -0.253 50 20 JBGD Cc1nc(C(=O)NC2CCN(C3CCN(C(=O)c4cnccc4C(=O)NN)CC3)CC2)c(=O)[nH]c1C 1833938813 RECSEWUDXOBNKV-UHFFFAOYSA-N 496.572 -0.116 50 20 JBGD Cc1nc(C)c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)s1 1834072172 BSXLUIKTQANWNM-NRFANRHFSA-N 459.333 -0.176 50 20 JBGD O=C(c1ccc(OCCCO)cc1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835930926 AKUYNAVWFCQWIG-RUZDIDTESA-N 498.341 -0.489 50 20 JBGD Cc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)cc1 1835935473 GSXJLLVKHSBBPL-DEOSSOPVSA-N 452.316 -0.012 50 20 JBGD C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1)c1ccccn1 1835939643 CMJPGCDBKUMJLB-GAJHUEQPSA-N 453.304 -0.365 50 20 JBGD O=C1NCCCn2nc(C(=O)N3CCO[C@]4(COCCN(C(=O)[C@@H](F)Br)C4)C3)cc21 1836781613 UKMJCVBSQOXTKH-RDTXWAMCSA-N 488.314 -0.223 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cnc4ccccn34)C2)C1 1837456392 LWOMPAJWBFUARD-XMMPIXPASA-N 493.524 -0.355 50 20 JBGD CCc1noc(C)c1C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1838060592 TUUSJRBGIFXPHV-OAQYLSRUSA-N 451.524 -0.012 50 20 JBGD CCNC(=S)NCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)CBr)C2)C1 1839652745 UNTUWVGTVZBCFK-DYVFJYSZSA-N 465.414 -0.042 50 20 JBGD CC(C)(C)OC(=O)NCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1839988062 TZULJAJKQMOFAO-QFIPXVFZSA-N 492.533 -0.720 50 20 JBGD CNC(=S)NCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)Br)CCO2 1840033989 WMYGUGBCSAZGQZ-MLGOLLRUSA-N 451.387 -0.290 50 20 JBGD C[C@H](Oc1ccccn1)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840185273 NIKMJUBJDGOQGG-HTAPYJJXSA-N 463.535 -0.322 50 20 JBGD Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)no1 1840368200 AOTYVSFDQNZWFO-OAQYLSRUSA-N 458.475 -0.706 50 20 JBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)CN(C)S(=O)(=O)c2cccnc2)cc1 106194633 YUFBELOXXVWTSZ-UHFFFAOYSA-N 469.545 -0.521 50 20 JBGD COCCNS(=O)(=O)c1cccc(C(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)c1 913055049 AHAVCQOMMOVKFZ-UHFFFAOYSA-N 459.484 -0.067 50 20 JBGD CN1CCN(C(C)(C)CNC(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)CC1 916258764 HEVVNASDOIHKDN-UHFFFAOYSA-N 468.628 -0.330 50 20 JBGD O=C(COc1cc(Cl)ccn1)N1CC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1779228775 CAEPIUYWPWVNDB-NRFANRHFSA-N 459.695 -0.063 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3ccccc3=O)[C@H]2C1 1787015963 UEGOSNUVHDGSNH-BODMQJBDSA-N 468.514 -0.038 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1cc(=O)c2ccccc2o1 1792762787 VJYZRQGWDDHGCW-MFKICJERSA-N 462.267 -0.010 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1cc(Cl)nc2n[nH]cc12 1796052973 DUBNMNHKFOGBFE-IVWMJMPLSA-N 469.694 -0.192 50 20 JBGD COCCOCCOCCOCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(B(O)O)c1)C2 1800204718 JNEFXTVCEQILPB-KOUNCHBCSA-N 492.378 -0.296 50 20 JBGD O=C(O)c1cnncc1C(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1810795986 BXEYQUNXCDCVAQ-OXQOHEQNSA-N 475.270 -0.117 50 20 JBGD O=C(NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1)c1cc(=O)nc2cccnn12 1811335662 LBTOYULEWLCXMQ-JPYJTQIMSA-N 498.308 -0.202 50 20 JBGD CCNC(=S)NCC(=O)NC[C@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1 1812333953 VCANFOXSJZLLKK-UZLBHIALSA-N 463.608 -0.056 50 20 JBGD COC[C@@H](NC(C)=O)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cccc(B(O)O)c1)CC2 1820185271 GSKRTPKQVWHKOQ-GDBMZVCRSA-N 460.321 -0.800 50 20 JBGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1)[C@@H]1CCCS1(=O)=O 1821834318 YCHSNESJLATMCE-IRXDYDNUSA-N 460.321 -0.027 50 20 JBGD Cc1cn(CC(=O)N[C@@H]2CCc3nc(NC(=O)CCC(=O)NN(C)C)sc3C2)c(=O)nc1O 1826092294 YAULAZMBWACSFD-GFCCVEGCSA-N 477.547 -0.301 50 20 JBGD Cc1nn(C)c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)c1F 1833705635 IZZUKDOJMIOFGA-NRFANRHFSA-N 475.481 -0.750 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCC(N2CCC(NC(=O)Cn3ccnc3)CC2)CC1 1834266971 LBKMIOFYQCNCPZ-UHFFFAOYSA-N 454.535 -0.233 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)c3ccc4cnccc4n3)C2)C1 1835930378 HPWHRFKXHKHGGY-DEOSSOPVSA-N 476.298 -0.307 50 20 JBGD O=C1CCc2ccc(C(=O)N3CCOC[C@]4(CN(C(=O)c5cccc(B(O)O)c5)CCO4)C3)nc2N1 1835935499 HWWRPIRSXHAPFK-DEOSSOPVSA-N 494.313 -0.970 50 20 JBGD C[C@@H](CC(N)=O)C(=O)N1CCC(OC2CCN(C(=O)c3cnccc3C(=O)NN)CC2)CC1 1836910731 UFXLZQFHODITRL-AWEZNQCLSA-N 460.535 -0.191 50 20 JBGD CC(=O)O[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1)C(C)C 1837224414 PFVLKQVGJLYUHM-FPOVZHCZSA-N 456.540 -0.597 50 20 JBGD C[C@@H](Nc1nccs1)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837457685 MWRBKNYSFZXTMY-SZNDQCEHSA-N 489.558 -0.288 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnn3c1OCCC3)CCO2 1839518124 LLUPIUKANOFROD-JOCHJYFZSA-N 485.501 -0.952 50 20 JBGD CC(=O)Nc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)cc1 1840726964 YUAJVGNFSHTGSF-DEOSSOPVSA-N 481.314 -0.291 50 20 JBGD CC(C)(C)OC(=O)N1C[C@H](C(=O)N2CC3(CCCN3C(=O)c3ccc(B(O)O)cc3)C2)[C@@H](O)C1 1843011934 LENOZKFOVZHDIY-ROUUACIJSA-N 473.335 -0.589 50 20 JBGD CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1CC2(CCCN2C(=O)c2cnccc2C(=O)NN)C1 1844264734 BGCWXQUVXZQFPQ-CQSZACIVSA-N 476.534 -0.222 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CCCC12CN(C(=O)CN(CCO)CCO)C2 1844693383 XVRFKJAPOZLBPR-UHFFFAOYSA-N 464.475 -0.376 50 20 JBGD COCCN1C(=O)c2ccc(C(=O)OCC(=O)NNC(=O)Cc3nc(C)cs3)cc2S1(=O)=O 728731871 GUBDTGFFCIFBBO-UHFFFAOYSA-N 496.523 -0.211 50 20 JBGD NC(=O)CC[C@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)N1CC[C@@H](B(O)O)C1 864230998 IIDQMEIONVIVDS-YPMHNXCESA-N 451.232 -0.307 50 20 JBGD O=C1CN(S(=O)(=O)c2cccc(C(=O)NNC(=O)c3csc(N4CCOCC4)n3)c2)CCN1 906485929 BPMQDXPAASKTCU-UHFFFAOYSA-N 494.555 -0.825 50 20 JBGD C[C@H](Br)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(=O)n3[nH]nnc3n2)C1 1777823569 PLFOWOZHQZYYAS-GSDQYQHOSA-N 468.312 -0.277 50 20 JBGD Cc1nc[nH]c1CSCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1778911000 IKKFICGHWXREEW-NRFANRHFSA-N 458.349 -0.225 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)c3cnc(OCF)cn3)CCO2)C1 1779029522 YSNFIMQTNOHMCQ-FQEVSTJZSA-N 459.438 -0.462 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](N)c1ccccn1)C2 1779373133 FAHSSHQBNOAWQZ-DNVFCKCGSA-N 467.530 -0.092 50 20 JBGD CN(CC(=O)N1CC[C@]2(C1)CN(C(=O)CS(C)(=O)=O)CCO2)NC(=O)NCc1ccccc1 1780970399 VPCAWXNJXDOLBC-NRFANRHFSA-N 481.575 -0.793 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@@H](N)c3cccnc3)C[C@@H]21 1788610562 GLRJERPNARDZJM-QLIIJSOBSA-N 467.530 -0.237 50 20 JBGD Cn1c(=O)c2c(ncn2CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C(C)(C)CCl)n(C)c1=O 1792782242 LCJCQUJADYNLNH-AGGWBTHJSA-N 480.953 -0.712 50 20 JBGD CC(=O)Nc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)cc1 1797231584 XHANWWZCWCWHNC-BBIADKPPSA-N 465.315 -0.229 50 20 JBGD CC(=O)N1CCC(N2CCC(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)[C@H](O)CCl)C4)CC2)CC1 1797280957 QARRVCDVTIOQNK-KOUHRCEDSA-N 485.025 -0.101 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C\C(=O)NC1CC1 1797612634 HDRGXGUTLURXEH-CEAGGLGCSA-N 456.503 -0.455 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)N1CCOCC1)C2 1798524890 PAGOXTGHEOCWEZ-YOBSMXQVSA-N 492.485 -0.626 50 20 JBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cncn1-c1ccncc1)C2 1801009436 ICXJKFJWPFHSKM-VPTLXERWSA-N 455.519 -0.157 50 20 JBGD C=CC(=O)N[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807374525 HQAHNLLJVCGOLX-YWMUFLPLSA-N 450.304 -0.228 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@@H](CNC(=O)CN(C)C(=O)C(=O)O)[C@H]1c1cccnc1 1812389748 LVUSWYAARTXOKX-CPJWQURSSA-N 497.512 -0.236 50 20 JBGD CC(=O)N1CCN(CC(=O)Nc2cc([C@H]3CCCCN3C(=O)CCC(=O)NN(C)C)[nH]n2)CC1 1818967237 OLMWLWUFOXRPSE-GOSISDBHSA-N 476.582 -0.061 50 20 JBGD O=C(COc1ccc(O)cc1)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1830342266 GFBXEYXEXQDKBB-QHCPKHFHSA-N 470.287 -0.779 50 20 JBGD O=C([C@H](O)CCl)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCc3nc(O)nc(O)c3C1)CCO2 1833024227 GKWVTDJKALZDDQ-PGICJIBASA-N 470.910 -0.951 50 20 JBGD C[C@H](C(=O)NC1CCN(C2CCN(C(=O)[C@@H](O)CCl)CC2)CC1)[C@H]1SC(=N)NC1=O 1835109962 KZDNKSLVJKRURL-TUKIKUTGSA-N 460.000 -0.040 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CNc3ccccc31)CCO2 1835716539 YAVRNFPGPXBBAS-RDPSFJRHSA-N 465.315 -0.354 50 20 JBGD O=C(CCc1cccnc1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835935455 FRLBHHNZOKWKMU-HSZRJFAPSA-N 453.304 -0.536 50 20 JBGD COc1ccc2[nH]cc(C(=O)N3CCOC[C@@]4(CN(C(=O)c5cccc(B(O)O)c5)CCO4)C3)c2n1 1835938128 MMUDQEIOUOSQHH-XMMPIXPASA-N 494.313 -0.365 50 20 JBGD C[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835940023 TUKXNOLZMRJUQB-FZKQIMNGSA-N 455.114 -0.780 50 20 JBGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](CO)NC(=O)OC(C)(C)C)CCO2)C1 1836473565 JHBBMEOEBJORMF-SIFCLUCFSA-N 479.958 -0.418 50 20 JBGD C=CCC(F)(F)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837460838 LFQSLMNXENGDPV-IBGZPJMESA-N 453.446 -0.034 50 20 JBGD CC(C)[C@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)CN(C)NC(=O)NCc3ccccc3)CCO2)C1 1839054123 IBSJVCGWOLCIPY-URXFXBBRSA-N 491.589 -0.194 50 20 JBGD O=C(CS(=O)(=O)N1CCCC1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839200332 GCTXMDCDWWAQOE-GDBMZVCRSA-N 486.360 -0.441 50 20 JBGD NC(=O)c1nccnc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839200548 MJUUEEOONXMFBT-LRDDRELGSA-N 460.260 -0.664 50 20 JBGD CCN(CC)C[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1839676281 GCBWZSHKVZBWPD-WZONZLPQSA-N 461.368 -0.586 50 20 JBGD N#C/C(=C\c1ccc(F)cc1F)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC[C@H](N)C(N)=O)C2)C1 1839743221 CZKATOFCZKXZSD-ZGOLIUOYSA-N 491.495 -0.079 50 20 JBGD CN(CC(=O)N1CC2(CCCN2C(=O)[C@H](O)N2CCOCC2)C1)NC(=O)NCc1ccccc1 1844296987 NPOVADAGIAWQHH-FQEVSTJZSA-N 474.562 -0.813 50 20 JBGD CC[C@@H](Br)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 1848150003 DMMHXUOKMJSASH-AGIUHOORSA-N 481.351 -0.191 50 20 JBGD CS(=O)(=O)NCCNC(=S)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 727064767 BJBJSVKQMJEDNX-UHFFFAOYSA-N 463.607 -0.481 50 20 JBGD C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)nnc12 729276055 WIIHRWACOZCAMV-LLVKDONJSA-N 479.544 -0.593 50 20 JBGD O=C(NNS(=O)(=O)c1cc2c(cc1Br)OCCO2)N[C@@H]1CCS(=O)(=O)C1 747072621 JSRRZPYXOCHHKI-MRVPVSSYSA-N 470.323 -0.100 50 20 JBGD N#Cc1ccc(OCC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)cc1 906480869 JXIOJOZVHWAOQM-UHFFFAOYSA-N 457.468 -0.481 50 20 JBGD CC(C)(CCl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCS(=O)(=O)CC3)[C@H]2C1 1785032450 IAWUQMIILDVXHP-JYJNAYRXSA-N 450.001 -0.039 50 20 JBGD C[C@@H](Nc1nccs1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1787485628 PDHMSUORSBKTNH-KCMWZYNZSA-N 458.349 -0.083 50 20 JBGD CCOC(=O)N[C@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C[C@@H]21 1788470577 CJTHUMOSLIESNT-UZUNWLJYSA-N 478.506 -0.835 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccn4c(O)nnc34)C[C@@H]21 1791290950 FUALLQAWJLEIBQ-BPUTZDHNSA-N 459.507 -0.599 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNCP(=O)(O)O 1795519401 ZTQLISBYZFDVRT-XFMPKHEZSA-N 498.901 -0.567 50 20 JBGD COC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1796394362 OCYSVCGIUQPGOU-NBMJBFSESA-N 491.350 -0.891 50 20 JBGD NC(=O)c1nccnc1C(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1811185019 OKRYXCROERZVCS-UZLBHIALSA-N 474.286 -0.716 50 20 JBGD CCNC(=S)NCC(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1812330097 FQNFYIPZGCTSJZ-YLJYHZDGSA-N 469.376 -0.435 50 20 JBGD CC(=O)N1CCN(CC(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(B(O)O)cc3)[nH]n2)CC1 1818965773 WUFSWKATQOEGAT-FQEVSTJZSA-N 482.350 -0.441 50 20 JBGD C[C@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3C(=O)C=CC3=O)C2)C1 1830543892 GZEYLNKTSWCHRM-ACJLOTCBSA-N 458.309 -0.601 50 20 JBGD CN1CCCC[C@@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1830756305 GACHRWUIRYZTEW-XMSQKQJNSA-N 460.535 -0.761 50 20 JBGD O=C(CCN1C(=O)C=CC1=O)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1832025713 KEYCELUYMFNTRD-DOTOQJQBSA-N 462.272 -0.552 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)c3cc(=O)nc4cccnn34)CC2)CC1)[C@H](O)CCl 1833311929 GDIRGLCMMSULFE-QGZVFWFLSA-N 462.938 -0.126 50 20 JBGD COC[C@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834799335 XWYFWRGJGHMSHL-IBGZPJMESA-N 451.760 -0.195 50 20 JBGD CCNC(=O)N[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3cnccc3C(=O)NN)CC2)CC1 1835709124 DRZACIITJNGGST-OAHLLOKOSA-N 488.593 -0.422 50 20 JBGD C[C@@H](Cn1cncn1)C(=O)NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1835808230 GKEJNIUHESYHSU-KRWDZBQOSA-N 468.367 -0.521 50 20 JBGD C[C@@H](Nc1ccccn1)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835930567 NIYPEWCXEQUWQY-HXOBKFHXSA-N 468.319 -0.668 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)c3cc(-c4cccnc4)[nH]n3)C2)C1 1835931735 ZKTNAZLHLNBSKE-XMMPIXPASA-N 491.313 -0.465 50 20 JBGD Cn1cc2cc(C(=O)N3CCOC[C@]4(C3)CN(C(=O)c3ccc(B(O)O)cc3)CCO4)ccc2n1 1835932258 WTHVJYVDTSCLHF-DEOSSOPVSA-N 478.314 -0.363 50 20 JBGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(=O)nc4cccnn34)CCO2)C1 1838503523 YKLOWLQQRAONLR-XOBRGWDASA-N 465.894 -0.587 50 20 JBGD CC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCS(=O)(=O)CC3)C2)C1 1839142130 FNODEHYISWBXHQ-QAPCUYQASA-N 451.973 -0.809 50 20 JBGD Cc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)cc1[N+](=O)[O-] 1839189358 WMZHUXUAUDKZNA-DEOSSOPVSA-N 497.313 -0.104 50 20 JBGD COC(=O)NCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc([N+](=O)[O-])ccc3OC(C)=O)C2)C1 1840321270 RCVAFIGULNTPIM-NRFANRHFSA-N 494.457 -0.054 50 20 JBGD CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)N1CCCC12CN(C(=O)c1ccc(B(O)O)cc1)C2 1845229617 KOBMNIMOEPPZSR-KRWDZBQOSA-N 461.324 -0.541 50 20 JBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)CNS(=O)(=O)c2c(C)noc2C)cc1 17406983 FIFHHZGEZKCNIR-UHFFFAOYSA-N 473.533 -0.654 50 20 JBGD Cn1c(=O)c2c(ncn2CCC(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)n(C)c1=O 18184211 NHSIYMYEQMRIKM-UHFFFAOYSA-N 482.545 -0.817 50 20 JBGD C=CCN1C(=O)C(=O)N(CC(=O)NNC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)C1=O 748546710 NBOAWFSBPJLUHZ-UHFFFAOYSA-N 499.505 -0.097 50 20 JBGD CCN(CCCNC(=O)NNC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1)S(C)(=O)=O 918118768 AKSBEHIOGQTHPQ-UHFFFAOYSA-N 463.582 -0.382 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(C1)CN(C(=O)c1cnn3cccnc13)CCO2 1779032321 NFMRVBOOPNEPKG-OAQYLSRUSA-N 450.459 -0.515 50 20 JBGD CC(=O)NCCC(=O)N1CCO[C@@]2(CCN(C(=O)CN(C)NC(=O)NCc3ccccc3)C2)C1 1780968788 PXKBJVVLINQFMT-HSZRJFAPSA-N 474.562 -0.311 50 20 JBGD CN(CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1C=CCN1)CCO2)NC(=O)NCc1ccccc1 1780970553 XEOYJXXVLVWQGV-WMZHIEFXSA-N 456.547 -0.310 50 20 JBGD Cn1nc2c(c1C(=O)N1CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C1)CCC2 1786981745 KARMSOQPKJIQGO-QSFXBCCZSA-N 452.320 -0.504 50 20 JBGD C[C@H](NC(=O)c1ccccn1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786983537 NJRITWSHFFJBSZ-HRDWYUFVSA-N 480.330 -0.827 50 20 JBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1)c1ccc(-n2c(O)nnc2O)cc1 1796191992 YFHGEDSHFGADQR-GGPHIMKMSA-N 477.286 -0.076 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)CN(C)C(=O)C(=O)O)n[nH]1 1821716671 PZYVWRQNMSILNY-CYBMUJFWSA-N 451.484 -0.682 50 20 JBGD Cc1cn(CC(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2cccc(B(O)O)c2)CC3)c(=O)nc1O 1827990769 ZLXNJOVZPRWAIC-CQSZACIVSA-N 483.315 -0.680 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3ccnn3)C2)C1 1832549447 PMNYNLSEVHMNNF-YWZLYKJASA-N 486.957 -0.133 50 20 JBGD CC[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)C[C@H]3NC(=O)NC3=O)CCO2)C1 1832696008 AYSFBLJBXPATJB-XWCIJXRUSA-N 461.313 -0.786 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1)[C@H](O)c1ccco1 1833090202 IUCZABNLPXMKKS-OAQYLSRUSA-N 455.320 -0.122 50 20 JBGD COC[C@@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834799336 XWYFWRGJGHMSHL-LJQANCHMSA-N 451.760 -0.195 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)c1ccccc1)CCO2 1835297487 OSYSFBWHMXQQTG-OFNKIYASSA-N 454.288 -0.830 50 20 JBGD CNc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)cc1 1835604912 LKQMPIZVJAZVOY-QHCPKHFHSA-N 453.304 -0.208 50 20 JBGD C=C(Oc1ccccc1O)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835928763 YHDAXPDDFIBQEN-XMMPIXPASA-N 482.298 -0.265 50 20 JBGD Cc1cnc2c(C(=O)N3CCO[C@]4(COCCN(C(=O)c5cnccc5C(=O)NN)C4)C3)cnn2c1 1836947306 JRIJOCKKXUIXOY-QHCPKHFHSA-N 494.512 -0.580 50 20 JBGD Cn1c(C(=O)N2CCC(OC3CCN(C(=O)c4cccc(B(O)O)c4)CC3)CC2)cccc1=O 1837377817 RWGSJUIKWWZUIW-UHFFFAOYSA-N 467.331 -0.009 50 20 JBGD CCOC(=O)N[C@H](O)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@](C)(Cl)CCl)CCO2 1839153224 WPHOEFBJHVDVJZ-JLZZUVOBSA-N 456.323 -0.256 50 20 JBGD CC(C)(C)OC(=O)N1CCOC[C@H]1C(=O)N1CCCC12CN(C(=O)c1cccc(B(O)O)c1)C2 1843346831 BWCKQVRWGDHNGY-SFHVURJKSA-N 473.335 -0.181 50 20 JBGD CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)N1CCCC12CN(C(=O)c1cccc(B(O)O)c1)C2 1845229575 HTHDQPGAIMSBHM-KRWDZBQOSA-N 461.324 -0.541 50 20 JBGD Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)NNC(=O)c1csc(N2CCOCC2)n1 10292243 YUFQACAXCKCQQA-UHFFFAOYSA-N 477.547 -0.398 50 20 JBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 920297573 JYAXIYGYULVBGK-CYBMUJFWSA-N 454.530 -0.136 50 20 JBGD O=C(COC(=O)C1CCN(c2ccc3nnnn3n2)CC1)NNC(=O)[C@@H]1COc2ccccc2O1 928989362 DEGLCYALGIQCMB-INIZCTEOSA-N 482.457 -0.734 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)[C@H]3CN(Cc4ccccc4)CCO3)C2)C1 1778276363 PNPFCRHWSKMSAX-BVAGGSTKSA-N 493.369 -0.289 50 20 JBGD CCNC(=O)N[C@@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cnccc1C(=O)NN)C2 1779323838 SDBGUFJWJHXNBA-WTBBCNCBSA-N 475.550 -0.480 50 20 JBGD O=C(CCNC(=O)c1ccc[nH]1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1785246227 IKIPSFHCJOPGDW-QRFRQXIXSA-N 468.319 -0.892 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc(O)nc3O)C[C@@H]21 1787508833 KQMWWZKGXVKPLN-LTTOZXGBSA-N 471.474 -0.385 50 20 JBGD CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(B(O)O)cc2)C1 1796189885 AGJQSHCJIIIADO-YDLHNXBPSA-N 487.362 -0.010 50 20 JBGD O=C1Nc2c(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)c3ccc(B(O)O)cc3)C4)cccc2C1=O 1797538990 UDTRSPMTLZROKN-ZSBFGKGUSA-N 463.255 -0.982 50 20 JBGD O=C(NC[C@@H]1CCN(C(=O)c2cnncc2C(=O)O)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807375257 NOQXSVNKKFVCOP-JXFKEZNVSA-N 475.270 -0.117 50 20 JBGD CCS(=O)(=O)CC(=O)N[C@@H]1CCc2nc(NC(=O)c3cnccc3C(=O)NN)sc2C1 1819793553 PSEYPQYSIBCOLC-SNVBAGLBSA-N 466.545 -0.198 50 20 JBGD CN(CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(=O)C1CC1)CCO2)NC(=O)NCc1ccccc1 1830601432 ADRQAIYNKNUKDM-XMMPIXPASA-N 487.557 -0.232 50 20 JBGD O=C(CCBr)N1CCO[C@]2(COCCN(C(=O)CS(=O)(=O)N3CCCC3)C2)C1 1834821378 GYZBPZXVRYOZHX-QGZVFWFLSA-N 482.397 -0.347 50 20 JBGD O=C(COc1ccccc1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835929594 XVJSTPWQHHSUER-HSZRJFAPSA-N 454.288 -0.485 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)c3snnc3C3CC3)C2)C1 1835937416 VCEKODHSYGHCMB-OAQYLSRUSA-N 472.332 -0.521 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc3nncn3c1)CCO2 1837020373 LJHZSPIZKDOYMY-OAQYLSRUSA-N 459.507 -0.828 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc4c(c3)CNC4=O)CCO2)C1 1837149160 DVDFDPKIJOTIQT-DEOSSOPVSA-N 494.508 -0.688 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1ON=C(c3ccccc3)O1)CCO2 1837293254 SYHCPDOVDNEISE-BJKOFHAPSA-N 495.297 -0.829 50 20 JBGD Cn1cnnc1SCC(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 726930308 DQJAUUPATAACEP-UHFFFAOYSA-N 468.561 -0.292 50 20 JBGD COCCCNC(=O)[C@H](C)N1CCN(C(=O)NNC(=O)CNC(=O)c2cccs2)CC1 728952187 VMZHPORESQRZLK-AWEZNQCLSA-N 454.553 -0.623 50 20 JBGD Cc1ccc(S(=O)(=O)N2CCC(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)CC2)cc1C 729277025 RRSKCHPDTTVINT-AWEZNQCLSA-N 460.578 -0.211 50 20 JBGD COc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 914652711 GREPQRYKMHHHQS-DGCLKSJQSA-N 487.918 -0.312 50 20 JBGD O=C(CN1CCS(=O)(=O)CC1)NNC(=O)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1 916148163 YQENOPILBWZOOC-UHFFFAOYSA-N 469.527 -0.120 50 20 JBGD CS(=O)(=O)N1CCC[C@H](NC(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)C1 920238683 IWJXHZDSQUTJSU-HNNXBMFYSA-N 473.577 -0.161 50 20 JBGD CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)N([C@H]3CCS(=O)(=O)C3)N(C)C)cc2)CC1 1321718736 RDLPNWOFNPQINY-KRWDZBQOSA-N 472.589 -0.355 50 20 JBGD CC(C)(C)n1cc(C(=O)N2CCO[C@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)nn1 1779032568 NNYUZOSMXSGYJT-NRFANRHFSA-N 456.507 -0.211 50 20 JBGD COc1ccnc(C(=O)N2CC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)c1OC 1780448830 SZRIZGWWNWQWCX-QFIPXVFZSA-N 455.276 -0.464 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCCC3=O)[C@H]2C1 1786731742 CGFBGDQAVBRFLL-SMKMMKTPSA-N 458.519 -0.278 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC[C@@H](N)C(N)=O)[C@H]2C1 1786884545 HHENNTCCFVODQE-QMHWVQJVSA-N 490.001 -0.309 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC[C@@H](N)C(N)=O)C2 1793881167 SKSGJQYOIRCDGU-YMSVYLFOSA-N 475.974 -0.699 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccccc1C(=O)OCCO 1798565857 LXIGPLQOODWRIH-YVWYUNDQSA-N 497.508 -0.649 50 20 JBGD Cc1c(Br)c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)nn1C 1798715221 QQRSTSOMUVBCHF-XOIINTDNSA-N 491.151 -0.312 50 20 JBGD O=C1CC[C@@H](C(=O)N2CSC[C@@H]2C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C(Cl)Cl)C3)N1 1800337017 SBTYQKYALJJQMT-XJGUIPMBSA-N 479.386 -0.440 50 20 JBGD CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(B(O)O)cc2)C3)C1 1802414442 ZSSYELKRQISHNQ-NRAIQUKZSA-N 487.362 -0.010 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@@H](CNC(=O)CN2C(=O)CNC2=O)[C@H]1c1cccnc1 1804090975 MUZUOTHMQZWEMM-CGUIXBEDSA-N 494.512 -0.227 50 20 JBGD CN[C@H](CC(=O)NC[C@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1)C(=O)O 1807208658 YIBFUVHDJOXVTN-LSBZLQRGSA-N 469.502 -0.538 50 20 JBGD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1)[C@@H]1CCCS1(=O)=O 1821834320 YCHSNESJLATMCE-SJORKVTESA-N 460.321 -0.027 50 20 JBGD NC[C@H](N)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCN2C(=O)OCc1ccccc1 1828551466 PNWRTXMLRWTXBY-FVJLSDCUSA-N 467.954 -0.676 50 20 JBGD CN1CCC(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)CC1 1830000832 PHVASJFLPGEODZ-HSZRJFAPSA-N 459.352 -0.832 50 20 JBGD Cc1cn(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)CBr)CCO3)c(=O)nc1O 1830545836 NLWKAMVCEOQXJM-DJJJIMSYSA-N 487.351 -0.255 50 20 JBGD Cc1nn2cc(CC(=O)N3CCOC[C@]4(C3)CN(C(=O)[C@@H](O)CCl)CCO4)nc2s1 1830726945 XLGIXJVNPBCJFX-KSSFIOAISA-N 457.940 -0.302 50 20 JBGD C[C@](Cl)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3C(=O)CNC3=O)CCO2)C1 1832332686 VADAZTAGDKGHGN-DLBZAZTESA-N 451.307 -0.769 50 20 JBGD C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835925954 DAAXHQCSXWYCOP-QMHKHESXSA-N 491.350 -0.650 50 20 JBGD N[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1)c1cccc(Cl)c1 1835928070 CQFUCNRCUIAAOC-REWPJTCUSA-N 487.749 -0.210 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)c3cc(F)cnc3Cl)C2)C1 1835930323 GPNZGSDVZKCDBC-NRFANRHFSA-N 477.685 -0.062 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)C1(C(F)(F)F)CC1)CCO2 1836715815 GNPGKCWTQPZYRJ-SFHVURJKSA-N 456.226 -0.221 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3[nH]nc4ccncc34)C2)C1 1837457777 QQMMXTYDIMFGCG-QFIPXVFZSA-N 480.485 -0.660 50 20 JBGD COc1cc(OC)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)c1 1838933286 HPVYOZBBXSOOQX-DEOSSOPVSA-N 484.314 -0.233 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)n1ccnn1)CCO2 1839708298 PUSXNCJCHSTJFD-DMGJQLCPSA-N 472.506 -0.571 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)Cc1ccccc1)CCO2 1839957811 ICBHFORZWOMNDX-URXFXBBRSA-N 468.315 -0.960 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)Cc1ccccc1)CCO2 1839960646 NZIYRHRDFWKZCU-WMZHIEFXSA-N 462.547 -0.581 50 20 JBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CNC(=O)OC(C)(C)C)C2)C1 1840149342 MAJIEWVGLOBGGT-MDOVXXIYSA-N 479.958 -0.418 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c(c3)CNC4=O)C2)C1 1840184168 AZKUECKFIFQJAI-QHCPKHFHSA-N 473.530 -0.627 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn4cc(F)ccc4n3)C2)C1 1840184247 FKQLMOMRKMLVBD-QFIPXVFZSA-N 476.509 -0.084 50 20 JBGD O=C(COC(=O)CCCS(=O)(=O)N1CCCC1)NNC(=O)[C@H]1COc2ccccc2O1 728330828 SSZXEVWJGUEUMG-MRXNPFEDSA-N 455.489 -0.277 50 20 JBGD CC1(C)COCCN1CCNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 728399003 BBLLHIBAPJHKLL-UHFFFAOYSA-N 469.564 -0.238 50 20 JBGD CN(CC(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Br)cc1 915279498 KVEKBKDMWRTROY-SNVBAGLBSA-N 468.351 -0.348 50 20 JBGD CCOC(=O)N[C@H](O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C(C)=N/NC(=O)c2ccc[nH]2)C1 1778090915 HLKLAXXWHQUQMN-UIZXBGEXSA-N 492.533 -0.301 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@@]2(CCN(C(=O)CCN3CCOC3=O)C2)C1 1778160039 DXQIGWZBLQMWCP-CPOKCXMASA-N 460.491 -0.207 50 20 JBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2)c1cc2n(n1)CCCO2 1779034565 XPIQLWHJGHUSBZ-AUSIDOKSSA-N 468.319 -0.213 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)c3cc4cccnn4n3)C2)C1 1779961770 MVRKGYXORZDRJM-NRFANRHFSA-N 450.459 -0.515 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](N)Cc3cscn3)[C@H]2C1 1787399852 XDZURGGXNCHTHR-HJWJTTGWSA-N 452.581 -0.634 50 20 JBGD N[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1cccc(Cl)c1 1795626521 YXXAQJFPCALTFJ-WOUAJJJCSA-N 457.723 -0.077 50 20 JBGD CC(=O)Nc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)cc1 1795734162 GOFSWCOOYVHCIK-BBIADKPPSA-N 465.315 -0.229 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1cc(-c2cccnc2)[nH]n1 1798157935 UTBXKPNHONVWDL-UPHUGPLXSA-N 461.287 -0.332 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)C[C@@H]2NC(=O)NC2=O)CC1 1825074752 PQIPNSRQRZZYOI-IRXDYDNUSA-N 471.518 -0.484 50 20 JBGD CCOC(=O)N[C@@H](O)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(B(O)O)c2)CC1 1828759668 MWPVWWVDELLOBB-MOPGFXCFSA-N 461.324 -0.336 50 20 JBGD CN[C@H](CC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cnccc2C(=O)NN)CC1)C(=O)O 1828926529 MUSVLPVWVUXCRT-MSOLQXFVSA-N 460.535 -0.019 50 20 JBGD CN(CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2)C(=O)c1ccccc1 1830726676 SWYMJHWOYXNLKF-DYESRHJHSA-N 453.923 -0.185 50 20 JBGD CN1CCCC[C@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1830768831 GACHRWUIRYZTEW-AVRDEDQJSA-N 460.535 -0.761 50 20 JBGD CC(C)(C)n1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)cn1 1833453367 XTYKNTJUMOJMPI-HSZRJFAPSA-N 470.335 -0.298 50 20 JBGD CC[S@@](=O)CCC(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834798685 XZISVVLOERNHQM-JGCGQSQUSA-N 463.409 -0.290 50 20 JBGD Nc1ccccc1/C=C/C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835928114 DQNIZACMERODQX-VFUOJUBFSA-N 465.315 -0.268 50 20 JBGD COc1ncccc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835929405 OFIXPIAPIVKSJL-JOCHJYFZSA-N 455.276 -0.846 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)c3cncn3-c3ccncc3)C2)C1 1835935210 HJBXJPRUZZDZBA-XMMPIXPASA-N 491.313 -0.669 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCC(N2CCC(NC(=O)c3c[nH]c(=O)cn3)CC2)CC1 1836140518 OUZMPANTFYYGAB-UHFFFAOYSA-N 468.518 -0.733 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCC(OC2CCN(C(=O)c3ccc(O)nn3)CC2)CC1 1837367189 ZMLMLFOCMLHZFZ-UHFFFAOYSA-N 454.292 -0.212 50 20 JBGD C[C@@H](CS(C)(=O)=O)C(=O)N1CCOC[C@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1 1837709924 AZYJJUYBQKHQNB-YJBOKZPZSA-N 450.630 -0.025 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(=O)nc3sccn13)CCO2 1838417126 FSQTXHHHYPXNNX-OAQYLSRUSA-N 492.558 -0.801 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(Br)CC1)CCO2 1839207070 HFRPTALBVLOWEJ-GOSISDBHSA-N 482.335 -0.317 50 20 JBGD COCCOCCOCCOCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](Cl)COC)CCO2 1840156097 NLPSURAGZYFZPY-GHTZIAJQSA-N 496.985 -0.607 50 20 JBGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3C(=O)CSC3=S)CCO2)C1 1840896945 CMVRUDRYUBQXRL-YVEFUNNKSA-N 465.981 -0.443 50 20 JBGD O=C(CNS(=O)(=O)c1ccc(Br)s1)NNC(=O)[C@@H]1CCS(=O)(=O)C1 749838281 MWXAAYXKCLEIMN-SSDOTTSWSA-N 460.353 -0.629 50 20 JBGD CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)NNC(=O)CN1CCCC1=O 789856674 JLJCRNAWJJVOGS-IBGZPJMESA-N 468.532 -0.079 50 20 JBGD COC[C@H](NC(C)=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C(C)=N/NC(=O)c2ccc[nH]2)C1 1778091145 NVRVTLQYIMEZNM-WDOWIDIQSA-N 490.561 -0.215 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc4c(c3)CC(=O)N4)C2)C1 1778394031 OHVUQHQJVPSFES-HSZRJFAPSA-N 464.482 -0.063 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc4ncccn4n3)C2)C1 1778466456 LJRZYKJPYJGJSQ-OAQYLSRUSA-N 450.459 -0.515 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)/C=C/c3ccc(O)c(O)c3O)CCO2)C1 1779035318 GCVVPJRMSIFZEX-KFVKGYIZSA-N 483.481 -0.041 50 20 JBGD CC(C)CNC(=O)C(=O)N1CCO[C@]2(CCN(C(=O)CN(C)NC(=O)NCc3ccccc3)C2)C1 1780967902 BZPWRYMZNOVWPB-DEOSSOPVSA-N 488.589 -0.065 50 20 JBGD CCOC(=O)N[C@@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C[C@@H]21 1788470576 CJTHUMOSLIESNT-KCGUDSIKSA-N 478.506 -0.835 50 20 JBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CCc2nc(O)nc(O)c2C1 1794385309 WGHVCWJGVJLHEZ-YIYPIFLZSA-N 481.513 -0.057 50 20 JBGD C=CC(=O)N[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN(C)NC(=O)NCc1ccccc1)C2 1797946152 NGIWVLANRVZEPR-UYZIEWPDSA-N 486.573 -0.387 50 20 JBGD O=C(NC[C@@H]1CCN(C(=O)CN2CCS(=O)(=O)CC2)[C@@H]1c1cccnc1)[C@@H](O)CCl 1803136447 QSBLLJCHINDSPV-XYJFISCASA-N 458.968 -0.583 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ccc(C#N)cc1)CCO2 1829907227 BHIAXZYMKBVGDG-HSZRJFAPSA-N 457.531 -0.070 50 20 JBGD Cc1cc(C(=O)NCC(=O)N2CCC(N3CCC(NC(=O)[C@H](O)CCl)CC3)CC2)no1 1833311731 BPPUROXBHURURQ-QGZVFWFLSA-N 455.943 -0.116 50 20 JBGD Nc1nc(C(=O)NC2CCN(C3CCN(C(=O)c4cccc(B(O)O)c4)CC3)CC2)cs1 1834749430 NDQXUGXAPVHFOA-UHFFFAOYSA-N 457.365 -0.096 50 20 JBGD CO[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1)c1ccccc1 1834922293 LZWGTPIEEGSDFF-ZJSXRUAMSA-N 468.315 -0.176 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC1CCN(C2CCN(C(=O)CC[C@@H](N)C(N)=O)CC2)CC1 1835118192 GVAWUWVRJDCXQG-OVNWTWFZSA-N 488.593 -0.715 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCC(N2CCC(NC(=O)c3nc4ncccn4n3)CC2)CC1 1835352234 GNHGLUFRUCLCCD-UHFFFAOYSA-N 471.566 -0.318 50 20 JBGD COc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)cn1 1835927541 SCZWFFWWVGLAON-JOCHJYFZSA-N 455.276 -0.846 50 20 JBGD O=C(CCc1cccnc1)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1836178207 MVIBLGQXSPLKQJ-QHCPKHFHSA-N 453.304 -0.536 50 20 JBGD Cc1nc[nH]c1CSCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1837330029 TXZCNDMQPIWECA-JOCHJYFZSA-N 488.375 -0.599 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc4c3OCCO4)C2)C1 1840184486 PTGAJZQZSZOIGW-QHCPKHFHSA-N 476.530 -0.099 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4cccnn4c3)C2)C1 1840184765 AKBADCFMADELAC-JOCHJYFZSA-N 458.519 -0.223 50 20 JBGD CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CCCC12CN(C(=O)/C(C)=N/NC(=O)c1ccc[nH]1)C2 1844286165 XHCAHZWJKKDUQR-YXUUZYBBSA-N 461.475 -0.181 50 20 JBGD Cc1cc2nnc(C(=O)N3CCO[C@]4(CCN(C(=O)CCC(=O)NN(C)C)C4)C3)c(C)n2n1 1783934153 AGDIJLXIHINBSS-NRFANRHFSA-N 458.523 -0.442 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc3nc(CO)[nH]c3c1)CCO2 1783934200 CCPWEPCGKLPQRZ-JOCHJYFZSA-N 458.519 -0.128 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1cccc(N2CCOCC2)n1 1787656396 DCYPPIMSKCBWHA-VCOUNFBDSA-N 494.357 -0.495 50 20 JBGD Cn1ncc(Br)c1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1787776983 XTPZNZNANIQYEZ-QRTARXTBSA-N 491.151 -0.231 50 20 JBGD Cn1nc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)c2c1CCC2 1797048451 VIMCESOWGPUFFG-IVWMJMPLSA-N 453.503 -0.576 50 20 JBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1nc2c(=O)[nH]c3ccccc3n2n1)c1cccc(B(O)O)c1 1797659593 VKZOQGYLNNHZGQ-BJWYYQGGSA-N 486.297 -0.184 50 20 JBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3c(c1)NC(=O)CO3)C2 1797751534 DLXPBYFJBJXMPW-VTEUUUEMSA-N 480.481 -0.467 50 20 JBGD CC(=O)Nc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)o1 1797751666 NCRHSJHKGBMXIR-IVWMJMPLSA-N 456.459 -0.247 50 20 JBGD CN1CCCn2nc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)c3cnccc3C(=O)NN)cc2C1 1797753972 MXNRCWRBYLILEJ-YVWYUNDQSA-N 482.545 -0.766 50 20 JBGD COC(=O)c1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)c([N+](=O)[O-])c1 1799821712 SCKGMRVBYNBEBV-CWPLJXCYSA-N 497.269 -0.422 50 20 JBGD CN(CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1cc[nH]n1)NC(=O)NCc1ccccc1 1800287418 BRIJKBWLMFYXAL-OPMZPASUSA-N 469.546 -0.112 50 20 JBGD CN(C)NC(=O)CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(=O)n3[nH]cnc3n2)[nH]n1 1822414338 ROUVQGVWDYCRBJ-CQSZACIVSA-N 470.494 -0.180 50 20 JBGD O=C1CN(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)C(=O)N1 1824967249 OFAHAAPYQRHKOX-GOSISDBHSA-N 456.308 -0.849 50 20 JBGD COc1ccc([C@@H](O)C(=O)N2CCO[C@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)cc1 1830221428 NZGKOVSIEYKKLD-GGAORHGYSA-N 478.546 -0.442 50 20 JBGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccnc3CS(C)(=O)=O)CCO2)C1 1833565621 PHKNILZHCTUMQX-OXJNMPFZSA-N 489.978 -0.050 50 20 JBGD COC[C@@H](NC(C)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)CCBr)CCO2)C1 1834823382 QZGVVUCKXXWFIE-RHSMWYFYSA-N 450.330 -0.621 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCC(N2CCC(NC(=O)Cn3ccccc3=O)CC2)CC1 1834824584 HNLSFHFBWFHYFM-UHFFFAOYSA-N 460.579 -0.207 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC1CCN(C2CCN(C(=O)CS(C)(=O)=O)CC2)CC1 1835118271 MFPJLCVXCYZTKU-BUVRLJJBSA-N 480.591 -0.263 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)c3cc(Cl)cnc3O)C2)C1 1835926592 UDQYJKGOGZLUGN-NRFANRHFSA-N 475.694 -0.496 50 20 JBGD COc1cc(OC)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)c1 1835931633 UOLOYIZJRIZPRF-DEOSSOPVSA-N 484.314 -0.233 50 20 JBGD Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)ccc1O 1839307423 KAIAABLGMPUUOQ-QHCPKHFHSA-N 454.288 -0.236 50 20 JBGD CC(C)(C)OC(=O)N1CCOC[C@@H]1C(=O)N1CCCC12CN(C(=O)c1ccc(B(O)O)cc1)C2 1841751106 RYFBQMJKGFQVJO-GOSISDBHSA-N 473.335 -0.181 50 20 JBGD CC(C)(C)OC(=O)N1C[C@H](C(=O)N2CCCC23CN(C(=O)c2cccc(B(O)O)c2)C3)[C@@H](O)C1 1845105733 XCPAJULJOWJJBT-ROUUACIJSA-N 473.335 -0.589 50 20 JBGD COCCn1cnc2c1c(=O)n(CC(=O)NN=Cc1nccn1C)c(=O)n2Cc1ccccc1 727257322 YPXIFVYAFUEWSS-UHFFFAOYSA-N 464.486 -0.062 50 20 JBGD COC(=O)c1cc(S(=O)(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)ccc1Br 728509883 RHZRRXWJEVFTBU-SSDOTTSWSA-N 458.312 -0.517 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1)CCO2 1783939575 JUFOQQYHJXNBNO-HXOBKFHXSA-N 497.593 -0.175 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)CN1C(=O)CSC1=S)CCO2 1783939920 NLYAHNGSJMXKIB-SFHVURJKSA-N 457.578 -0.950 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1ccc3sccc3c1=O)C2)c1cccc(B(O)O)c1 1795737321 SHTQUPDOOGUJSD-VPTLXERWSA-N 481.339 -0.354 50 20 JBGD CCS(=O)(=O)N[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1803510270 VUBSXMGEMOBULJ-XFQXTVEOSA-N 488.375 -0.591 50 20 JBGD O=C(/C=C\C(=O)NC1CC1)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1810125973 ZEUPSFBRSYNERY-AGPJLUPNSA-N 462.315 -0.084 50 20 JBGD O=C(CN1CCS(=O)(=O)CC1)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827055894 IZGRRWSFFUCJKL-NRFANRHFSA-N 491.419 -0.670 50 20 JBGD NCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1828963680 HPUDTKTXUZVZFK-DEOSSOPVSA-N 495.540 -0.291 50 20 JBGD CC(C)(C)OC(=O)N1CCOC[C@H]1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830727926 KPNFETZQUWAAIE-CKJXQJPGSA-N 491.969 -0.322 50 20 JBGD O=C(c1ccc(-n2c(O)nnc2O)cc1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830732155 SHUCIZSXNBSWBZ-QRWLVFNGSA-N 481.893 -0.652 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ncccn3)CCO2)C1 1833165224 LCYRQGACLCBZEC-XDEFOSFOSA-N 469.502 -0.391 50 20 JBGD C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3cnccc3C(=O)NN)CC2)CC1 1833467807 ARXGUEPVTORRDY-MRXNPFEDSA-N 456.547 -0.091 50 20 JBGD NC(=O)c1ncccc1C(=O)NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1833919617 QUNPQUKWKMSEEG-UHFFFAOYSA-N 479.346 -0.641 50 20 JBGD C[Si](C)(C)OCC(=O)NC1CCN(C2CCN(C(=O)CN(CCO)CCO)CC2)CC1 1835837811 SEUIXNSWZAQEPV-UHFFFAOYSA-N 458.676 -0.304 50 20 JBGD O=C(Cc1ccc2c(c1)CCO2)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835931750 ARHZEPHSGJCDNJ-RUZDIDTESA-N 480.326 -0.386 50 20 JBGD CN1CCC[C@H](C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)C1 1839066630 NXPRLJPZVCCTSP-KSFYIVLOSA-N 460.535 -0.903 50 20 JBGD C[C@](Cl)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCS(=O)(=O)CC3)C2)C1 1839150682 UNZPLDKKQPZSIG-ROUUACIJSA-N 486.418 -0.591 50 20 JBGD COC(=O)[C@@H]1CC=CC[C@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1840143979 KETBHLNPRGHRCV-PMAPCBKXSA-N 480.562 -0.429 50 20 JBGD CN(CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCOC1)CCO2)NC(=O)NCc1ccccc1 1840537883 PGZBCKLINJFQLN-RDPSFJRHSA-N 489.573 -0.175 50 20 JBGD O=C(COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c1ccc(F)cc1)NNC(=O)[C@@H]1COc2ccccc2O1 728344848 QTZRNCYJXAJWFZ-GJYPPUQNSA-N 487.440 -0.068 50 20 JBGD COc1ccc(C(=O)N2CCC[C@@H]2C(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)c(OC)c1 919886166 PRVJHTAQBZJVJR-SWLSCSKDSA-N 454.505 -0.174 50 20 JBGD Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NNC(=O)N[C@@H]3CCS(=O)(=O)C3)C2)s1 919889649 QVMVSLFWGRNPIQ-CHWSQXEVSA-N 464.591 -0.025 50 20 JBGD O=C(CS(=O)(=O)N1CCCC1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](O)CCl)C2 1778088584 SJQONGKTMDAGGK-HDMKZQKVSA-N 451.973 -0.474 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2c[nH]c(=O)cn2)C1 1780123402 ZFRXKPMNIMQVDI-IIBYNOLFSA-N 455.475 -0.790 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)c3cnn4cccc(F)c34)C2)C1 1782553162 RHQSUQJTCUZFJR-JOCHJYFZSA-N 452.251 -0.090 50 20 JBGD CS(=O)(=O)c1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)nc1 1785708426 JHDJVPRXDDBUGW-QSFXBCCZSA-N 487.343 -0.928 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1 1788609918 SFLAWMPRYGQVRF-DLLGKBFGSA-N 492.533 -0.879 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3C(=O)CSC3=S)[C@H]2C1 1792238943 BKIUUQXCYXTWOD-CQDKDKBSSA-N 492.583 -0.861 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCc3ccccc3O1)C2)c1ccc(B(O)O)cc1 1795737004 SYXXGXJRPNLXEJ-UDKICSLYSA-N 450.300 -0.037 50 20 JBGD Cc1ccc(C(=O)NCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)cc1 1795737050 YIMZNPHLVYCOQE-HATOLVCRSA-N 465.315 -0.692 50 20 JBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(-c3ccncc3)[nH]n1)C2 1797751709 QAVYNHKXVQERTP-YVWYUNDQSA-N 476.497 -0.013 50 20 JBGD CN(CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C[C@H]1NC(=O)NC1=O)C2)NC(=O)NCc1ccccc1 1799865930 RCSAOTUCKXGPAV-XMTFNYHQSA-N 485.545 -0.431 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCNC(=O)c1ccccc1 1801952773 ANRIUUIKTKXILA-UPHUGPLXSA-N 480.525 -0.292 50 20 JBGD CC(=O)N(C)[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807365219 XBUXCYAULWMABH-VMRPVKRXSA-N 452.320 -0.052 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807375475 PEKQDAVWBBISFO-DYESRHJHSA-N 488.313 -0.607 50 20 JBGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1)c1cnc(O)nc1O 1808279589 QGVHMGMNTJYQLP-MAUKXSAKSA-N 463.259 -0.404 50 20 JBGD COC[C@H](NC(C)=O)C(=O)N1CC[C@@H](CNC(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1810302332 IITJUEUIDBNHJS-FFZOFVMBSA-N 483.529 -0.449 50 20 JBGD C[C@H](C(=O)N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1)N1CCN(C)CC1 1815360170 PWVALNKVGBEPMO-PBHICJAKSA-N 471.392 -0.315 50 20 JBGD C[C@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)C[C@@H]3NC(=O)NC3=O)C2)C1 1830535253 KXEKQLILVVXIRW-PEBVRCNWSA-N 461.313 -0.928 50 20 JBGD CC[C@@H](NC(C)=O)C(=O)NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1833094124 GAEOHUACYNUNBM-OAQYLSRUSA-N 458.368 -0.534 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnnc(Cl)c3)CCO2)C1 1833207949 IDYGEPVSAAVHEG-HXUWFJFHSA-N 475.893 -0.488 50 20 JBGD O=C(CN1CCOC1=O)NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1833386025 LRFDONOKOODYDJ-UHFFFAOYSA-N 458.324 -0.996 50 20 JBGD O=Cc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)s1 1835928116 DUOCIUJNDWNGSU-OAQYLSRUSA-N 458.301 -0.376 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)c3c(F)cncc3F)C2)C1 1835931420 RKSWIFWWWQIOPO-OAQYLSRUSA-N 461.230 -0.577 50 20 JBGD CN1Cc2ccccc2C[C@H]1C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835933718 BETVLAHVTZLVOR-OZXSUGGESA-N 493.369 -0.507 50 20 JBGD CC(=O)N1CCN(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)Br)C3)C2)CC1 1836768624 HKTRCTYHVROKMU-HNAYVOBHSA-N 475.384 -0.610 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc3n(n1)CCCC3)CCO2 1836976841 DSMOAMSBARJHDI-HSZRJFAPSA-N 468.319 -0.717 50 20 JBGD CC[C@H](Br)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](COC)NC(C)=O)CCO2 1837735844 BAISKDOZILWWKX-HDMKZQKVSA-N 464.357 -0.233 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccnn1)CCO2 1837871535 CQSGKYLRAANZJV-SGSZHJQISA-N 455.475 -0.319 50 20 JBGD C[C@@H](C(=O)N1CCC(OC2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1)N1CCN(C)CC1 1837921762 YMAJAVJSSZWWMN-IBGZPJMESA-N 486.422 -0.386 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCC(OC2CCN(C(=O)c3cnc(O)nc3O)CC2)CC1 1838076270 OLHCASOKJNGPJM-UHFFFAOYSA-N 485.501 -0.188 50 20 JBGD CCNC(=S)NCC(=O)N1CCO[C@]2(COCCN(C(=O)CCBr)C2)C1 1839653054 HWKIUDKHQVFRNG-INIZCTEOSA-N 451.387 -0.288 50 20 JBGD C[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(=O)C(F)(F)F)CCO2)C1 1840203768 RFCVHIQYDKQTCO-HZMBPMFUSA-N 460.247 -0.095 50 20 JBGD C[C@H](Cn1ccnc1)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1840433797 HBUZMMTVUHVNJA-UTKZUKDTSA-N 450.540 -0.651 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC12CN(C(=O)c1cnccc1C(=O)NN)C2 1843416136 DBRKPLVIASPSGY-LGJNPRDNSA-N 452.475 -0.364 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](Cc1ccc(B(O)O)cc1)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C(=O)C1CC1 1847518302 UIALPEUPPLGFJO-UFYCRDLUSA-N 499.373 -0.017 50 20 JBGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2cn(CC(=O)N(C)C)nn2)c1 108922475 LEWHOQOZMMGZCI-UHFFFAOYSA-N 451.509 -0.528 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H]1CCc3nc(O)nc(O)c3C1)CCO2 1783933498 MEOVEIHYVDMSIG-RCDICMHDSA-N 476.534 -0.804 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)Cn1c(=O)n(C)c3ccccc31)CCO2 1783934366 FQYLABYQICHYMA-HSZRJFAPSA-N 472.546 -0.457 50 20 JBGD C[C@@H](Oc1cccnc1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786986582 MOMGNFQMXOBVHE-GWKIZSTFSA-N 453.304 -0.178 50 20 JBGD CCNC(=S)NCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C(C)=N/NC(=O)c3ccc[nH]3)[C@H]2C1 1787507566 DYCITTYYGFSOGO-SKIHNHESSA-N 477.591 -0.416 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(=O)n3O)C[C@@H]21 1787509048 YGBHGFQJUWREMH-ARQYOALSSA-N 470.486 -0.187 50 20 JBGD CC(C)(C)OC(=O)NCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1 1788609930 TYKNJRPMYQISRM-JQFCIGGWSA-N 476.534 -0.197 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccccc1C(=O)OCCO)C2)c1cccc(B(O)O)c1 1795740317 RVWVEIATXZHMND-UPHUGPLXSA-N 482.298 -0.968 50 20 JBGD CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807363391 BYONRTDHMNJKFA-FBBABVLZSA-N 498.345 -0.076 50 20 JBGD O=C(CCN1CCOC1=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1809528468 AEUZFKMGKWBJMB-GHTZIAJQSA-N 466.303 -0.077 50 20 JBGD Cn1c(=O)c2c(ncn2CC(=O)N2CCC([C@H]3CCCCN3C(=O)[C@@H](O)CCl)CC2)n(C)c1=O 1824179367 RCELQKDVMDFMOB-CVEARBPZSA-N 494.980 -0.347 50 20 JBGD CS(=O)(=O)CCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cccc(B(O)O)c1)CC2 1827204453 QKHHBWSSBHNMRW-CYBMUJFWSA-N 451.335 -0.517 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)C(O)O)CCN2C(=O)OCc1ccccc1 1828525698 VMPZGKSPRPYDRJ-QHCPKHFHSA-N 491.545 -0.878 50 20 JBGD CCS(=O)(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](C)CBr)CCO2)C1 1830534946 FKRRUMUFEASDOH-JJRVBVJISA-N 484.413 -0.198 50 20 JBGD C[C@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)CS(=O)(=O)N3CCCC3)C2)C1 1830538749 ORQPBEMAPUCWCY-QAPCUYQASA-N 496.424 -0.101 50 20 JBGD N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@]4(CN(C(=O)c5cccc(B(O)O)c5)CCO4)C3)c2c1 1835939567 TXLJRCPFNBGVPO-DEOSSOPVSA-N 489.297 -0.502 50 20 JBGD C/C(=C\c1cccnc1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835939774 HBGIJLJRFLUPEP-VHFIJRQBSA-N 465.315 -0.065 50 20 JBGD Cc1nc2sccn2c1C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1837143555 AAHNXXGVYMELOP-QFIPXVFZSA-N 484.343 -0.232 50 20 JBGD Cc1nnc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)s1 1837456324 GQDJILRTEBTRJP-OAQYLSRUSA-N 489.558 -0.452 50 20 JBGD C[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1)n1ccccc1=O 1837687359 UXSUQCQGRRVVJE-HJPURHCSSA-N 484.513 -0.822 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1[nH]cc3c1CCC3)CCO2 1838452160 OXMFEPYXKIRJQR-HSZRJFAPSA-N 453.304 -0.433 50 20 JBGD CN(CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccnn3)C2)C1)NC(=O)NCc1ccccc1 1839054408 XKGZLRRBDKVLIY-DEOSSOPVSA-N 497.556 -0.107 50 20 JBGD CC[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3nc(N)n[nH]3)C2)C1 1839965252 RXCLWKGWXINEGC-YVEFUNNKSA-N 459.345 -0.051 50 20 JBGD Cc1csc(CC(=O)NNC(=O)COC(=O)CNS(=O)(=O)c2ccc3c(c2)OCCCO3)n1 760937039 KZJSXFPEBVHRMV-UHFFFAOYSA-N 498.539 -0.176 50 20 JBGD CN(CC(=O)N1CC[C@]2(C1)CN(C(=O)c1ncn(C)n1)CCO2)NC(=O)NCc1ccccc1 1780969834 KGDFUXHMFJKIJZ-QFIPXVFZSA-N 470.534 -0.395 50 20 JBGD CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1781351406 NEAKLUDZIWKEDQ-MBSDFSHPSA-N 491.350 -0.914 50 20 JBGD Cc1ccn2c(=O)c(C(=O)N3CCO[C@]4(CCN(C(=O)CCC(=O)NN(C)C)C4)C3)cnc2c1 1783934528 GNDDDVHGJGURKB-QHCPKHFHSA-N 470.530 -0.181 50 20 JBGD CC(=O)Nc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)o1 1786979723 NVUDPHHLHFSIOP-IEZWGBDMSA-N 455.276 -0.175 50 20 JBGD CCOc1c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)cnc2c1cnn2C 1795739147 YKDFELBHKOCWFI-CWPLJXCYSA-N 493.329 -0.436 50 20 JBGD C[C@H](Nc1nccs1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797750547 HBZOCFYHKAFKSS-JFILPPLUSA-N 459.532 -0.155 50 20 JBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1ON=C(c3ccccc3)O1)C2 1797751920 ZLOSRXXZKBSPFI-UVJWIIJLSA-N 480.481 -0.377 50 20 JBGD CC(C)NC(=O)OC(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1799129323 ZDIHMLRFHWOJNK-XOIINTDNSA-N 476.534 -0.199 50 20 JBGD C[C@H](C(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1)[C@H]1SC(=N)NC1=O 1807362614 MJVRKWZDGXHJNE-UONJOCPKSA-N 495.370 -0.117 50 20 JBGD CCOC(=O)N[C@H](O)C(=O)N1CC[C@@H](CNC(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1810303693 XBVNHJOUVGEBQG-JNAXZKDPSA-N 485.501 -0.536 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@@H](CNC(=O)CN(CCO)CCO)[C@@H]1c1cccnc1 1812713985 HXWXAILUWZKJGM-JUAHTANYSA-N 499.572 -0.492 50 20 JBGD CN1CCN(CC(=O)N[C@@H]2CCc3nc(NC(=O)c4ccc(B(O)O)cc4)sc3C2)CC1 1815344071 GBHRHUVZGPUFCH-MRXNPFEDSA-N 457.365 -0.704 50 20 JBGD CN(C)c1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)nc1 1833647634 NEONZCNOCIMTEM-QHCPKHFHSA-N 483.529 -0.470 50 20 JBGD CC[C@H](NC)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN(C)NC(=O)NCc3ccccc3)C2)C1 1835913315 YNBCGCKCVCDLBS-GBXCKJPGSA-N 490.605 -0.213 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)c3nccc4occc34)C2)C1 1835935907 WLTRYWNGNBJFDT-HSZRJFAPSA-N 465.271 -0.109 50 20 JBGD CS(=O)(=O)Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)cn1 1836378366 JUTUMDDLNXSONH-LPHOPBHVSA-N 475.951 -0.704 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@@H]3CCCCO3)C2)C1 1837456209 KULSRDWVIBQYLY-KSFYIVLOSA-N 461.519 -0.286 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C(F)F)no3)C2)C1 1837457925 WTEBJGHBCGXLMH-HXUWFJFHSA-N 480.428 -0.006 50 20 JBGD CN(C)c1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)cc1 1838962299 NFNRMFYRIZWSHV-DEOSSOPVSA-N 467.331 -0.184 50 20 JBGD C[C@@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3ccncc3=O)CCO2)C1 1839662599 VTJIXQKZBHMUFW-KBXCAEBGSA-N 457.325 -0.269 50 20 JBGD CC(=O)N[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1)C(C)(C)C 1840183035 ZRSMWBFEPPOALU-DENIHFKCSA-N 469.583 -0.633 50 20 JBGD CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCBr)C2)C1 1840370521 DYVIPSNZRUHLLZ-VQIMIIECSA-N 486.367 -0.302 50 20 JBGD COCCNS(=O)(=O)c1ccc(Br)c(C(=O)NNC(=O)C(=O)NC(C)C)c1 726616487 NBJQUNVMWVCCEA-UHFFFAOYSA-N 465.326 -0.341 50 20 JBGD CCS(=O)(=O)N1CCC[C@H](C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)C1 728331158 CSMAXEVINCLKSG-XJKSGUPXSA-N 455.489 -0.421 50 20 JBGD O=C(NNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1cccs1)N[C@H]1CCS(=O)(=O)C1 919884147 DYDLMGGLBCEHSQ-RYUDHWBXSA-N 450.564 -0.191 50 20 JBGD CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)N1CC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1781338523 DJNXHALPSZGJAX-WZONZLPQSA-N 491.350 -0.914 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CSc3ncccn3)C[C@@H]21)c1ccc(B(O)O)cc1 1786979843 LVLGVOCQMDICML-SZMVWBNQSA-N 456.333 -0.458 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnn(-c4cccnc4)c3)C[C@@H]21)c1ccc(B(O)O)cc1 1786980213 WJDYIYRSRIZPHZ-HSQYWUDLSA-N 475.314 -0.146 50 20 JBGD CN(CC(=O)Nc1ccc(C2(NC(=O)c3cnccc3C(=O)NN)CCC2)cc1)C(=O)C(=O)O 1791096145 MJXQHZWFVDOJJB-UHFFFAOYSA-N 468.470 -0.024 50 20 JBGD COC(=O)[C@@H]1CC[C@@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]3C2)C1 1791288032 OSEKOWGFFNYCFB-ZBRFXRBCSA-N 452.552 -0.072 50 20 JBGD COC(=O)c1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)s1 1795735291 WGBOUEVQDXHRJQ-YVWYUNDQSA-N 472.328 -0.340 50 20 JBGD O=C1CC[C@H](C(=O)NC[C@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)CN1 1802611983 SAYZCFURSFHJJC-LQWHRVPQSA-N 450.304 -0.393 50 20 JBGD NC(=O)c1nccnc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1 1817477052 XLDPZZUEXOZJCV-OAHLLOKOSA-N 463.263 -0.402 50 20 JBGD C[C@H](CS(C)(=O)=O)C(=O)NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1833481679 SHPGOJLDTVREGM-MRXNPFEDSA-N 479.408 -0.768 50 20 JBGD Cc1c(C(=O)N2CCC(N3CCC(NC(=O)c4cccc(B(O)O)c4)CC3)CC2)cnn1C 1834801175 SENBYSVEKLSZOP-UHFFFAOYSA-N 453.352 -0.093 50 20 JBGD C[C@H](C(=O)NC1CCN(C2CCN(C(=O)[C@H](O)CCl)CC2)CC1)[C@H]1SC(=N)NC1=O 1835109961 KZDNKSLVJKRURL-NILFDRSVSA-N 460.000 -0.040 50 20 JBGD C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835925953 DAAXHQCSXWYCOP-HJPURHCSSA-N 491.350 -0.650 50 20 JBGD Cc1nnc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)s1 1835927204 LOVCRVUUWHBRRN-OAQYLSRUSA-N 474.348 -0.771 50 20 JBGD COC(=O)[C@@H]1CC[C@H](C(=O)N2CCOC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)C1 1835933778 DGVZWGVTIYXVTQ-IXFSTUDKSA-N 474.319 -0.974 50 20 JBGD Cc1ccc(OCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)cc1 1835935847 UWOXUUUBHUUING-XMMPIXPASA-N 468.315 -0.176 50 20 JBGD O=C(c1ccn2ccnc2c1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835937413 UXBYLSQZWUDYLC-HSZRJFAPSA-N 464.287 -0.602 50 20 JBGD O=C([C@H](O)CCl)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1ON=C(c3ccccc3)O1)CCO2 1837291555 JWGVNWKZBFZLOY-XPGWFJOJSA-N 453.879 -0.223 50 20 JBGD NC(=O)c1nccnc1C(=O)N1CCO[C@@]2(COCCN(C(=O)CCBr)C2)C1 1838325543 QUBIRCWSTGUIOY-QGZVFWFLSA-N 456.297 -0.570 50 20 JBGD C[C@H](Oc1ccccc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1839950429 MBWVZIFVNWKSMA-UUOWRZLLSA-N 468.315 -0.096 50 20 JBGD CCOC(=O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840187373 WATBOSZZBIJTMW-NRFANRHFSA-N 456.540 -0.595 50 20 JBGD CO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CN(C)NC(=O)NCc3ccccc3)C2)C1 1840210551 MIKWTVXDTGDTOL-MBSDFSHPSA-N 477.562 -0.176 50 20 JBGD COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)cc1F 1840527029 SUKDNFKUFFHNMR-DEOSSOPVSA-N 486.305 -0.173 50 20 JBGD CS(=O)(=O)c1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)cc1F 1840771621 IKIBQDKGEAJXBX-BEFAXECRSA-N 478.926 -0.101 50 20 JBGD N#C/C(=C\c1ccc(F)cc1F)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(N)=O)CCO2)C1 1840921577 HKNJPRUEZCEJEO-JMDQKNPTSA-N 463.441 -0.004 50 20 JBGD O=C(NCCCCN1CCN(c2ncccn2)CC1)NNC(=O)c1ccc(-n2cnnn2)cc1 729221211 KHFNKMTXWCFSON-UHFFFAOYSA-N 465.522 -0.001 50 20 JBGD COc1ccc(C(=O)NNC(=O)Cn2c(=O)oc3cc(S(N)(=O)=O)ccc32)cc1OC 914602485 RTYGLFVQKLISPK-UHFFFAOYSA-N 450.429 -0.280 50 20 JBGD CS(=O)(=O)N1CCC(NC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)CC1 916237935 NOZAZVWKBFARLR-UHFFFAOYSA-N 473.577 -0.161 50 20 JBGD C#CCN1CCC(C(=O)NNC(=O)Cn2c(=O)c3c(ncn3CC)n(Cc3ccccc3)c2=O)CC1 920255184 PTTJXAZMOQCCAH-UHFFFAOYSA-N 491.552 -0.080 50 20 JBGD Cc1cn2c(=O)c(C(=O)N3CC[C@]4(CN(C(=O)CCC(=O)NN(C)C)CCO4)C3)cnc2s1 1777989432 HUESPVZEENNHNI-NRFANRHFSA-N 476.559 -0.119 50 20 JBGD CC(C)(C)OC(=O)N1CC(C(=O)N2CC[C@]3(CN(C(=O)c4cnccc4C(=O)NN)CCO3)C2)C1 1778125277 YNQNUZQVPBZWKJ-HSZRJFAPSA-N 488.545 -0.005 50 20 JBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2)c1n[nH]cc1[N+](=O)[O-] 1779600321 CHWGVVDFLDGURI-OXQOHEQNSA-N 457.252 -0.561 50 20 JBGD C[C@@H](Br)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(=O)n3[nH]nnc3n1)C2 1781997631 AJRBRLYRHFOVCW-ILMHXZGMSA-N 468.312 -0.277 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)CNC(=O)OC(C)(C)C)[C@H]2C1 1783992243 BIUTZZDFDPCQIR-QAETUUGQSA-N 485.582 -0.775 50 20 JBGD CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]2C1 1784092879 NOWCILRVQGTUHN-QMHWVQJVSA-N 463.959 -0.159 50 20 JBGD CC(C)c1nc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)no1 1785210296 YBADBJTWPGLAAX-SZMVWBNQSA-N 456.308 -0.291 50 20 JBGD O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1788658175 LZCRRNFICLLRIE-OIRWYUSJSA-N 459.308 -0.511 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CSc3ncccn3)C[C@@H]21 1791289394 WVSSWNIQPLSWTL-JYJNAYRXSA-N 450.565 -0.079 50 20 JBGD CN(CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCNC(=O)C1)C2)NC(=O)NCc1ccccc1 1799097134 DXKCAVBYOZNVGK-VWNVYAMZSA-N 486.573 -0.552 50 20 JBGD CC[C@@H](NC(C)=O)C(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807361000 UQFGRTDETYQUOP-TYPHKJRUSA-N 452.320 -0.004 50 20 JBGD C[C@H](C(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)N1CCN(C)CC1 1807862936 ILMREQXTVYXJGA-JMUQELJHSA-N 479.390 -0.283 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@H]1CCN(C(=O)CCN2C(=O)C=CC2=O)[C@H]1c1cccnc1 1810295713 VUFRGHGWIHKKPQ-ZHRRBRCNSA-N 491.508 -0.285 50 20 JBGD Cc1cc(C(=O)NCC(=O)N[C@H]2CCc3nc(NC(=O)c4cccc(B(O)O)c4)sc3C2)no1 1815356351 DDZLHUQUUADMKW-AWEZNQCLSA-N 483.315 -0.225 50 20 JBGD COC[C@@H](NC(C)=O)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCC(=O)NN(C)C)n[nH]1 1822414410 FEPSFWDADTZGBX-CVEARBPZSA-N 451.528 -0.074 50 20 JBGD CCOC(=O)N[C@@H](O)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCC(=O)NN(C)C)n[nH]1 1822416179 UCFAINNUWJWIRY-GUYCJALGSA-N 453.500 -0.161 50 20 JBGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1n[nH]c3c1CS(=O)(=O)C3)CC2 1826085422 SGMGQTZXRBXVFX-SNVBAGLBSA-N 495.587 -0.107 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1cnc(Cl)nc1)CCO2 1829517463 TZAIJEGZBRFYGZ-HXUWFJFHSA-N 460.683 -0.806 50 20 JBGD CSCC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1831532977 KBUMSUNKKXDAPO-NRFANRHFSA-N 450.366 -0.174 50 20 JBGD O=C(CCc1cc(F)ccn1)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1832847182 BMJBYMWCJYXFRN-QHCPKHFHSA-N 471.294 -0.397 50 20 JBGD O=C(c1ccc(N2CCOCC2)cn1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1833614842 GZANNLZUUUHACN-RXVVDRJESA-N 468.938 -0.412 50 20 JBGD C=CC(=O)N[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834798300 DZHNGVVWMXNJMV-MRXNPFEDSA-N 456.352 -0.758 50 20 JBGD C=CC(=O)N[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3cccc(B(O)O)c3)CC2)CC1 1834800993 FAVSNZWRUHMXGT-MRXNPFEDSA-N 456.352 -0.758 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCC(N2CCC(NC(=O)c3nc[nH]c3[N+](=O)[O-])CC2)CC1 1835101268 ZMYGXKWGFJIPFJ-UHFFFAOYSA-N 464.527 -0.124 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1)c1ccc2ncnn2c1 1835630937 PXUUKGRRYYYTFA-UHFFFAOYSA-N 476.346 -0.092 50 20 JBGD O=C(CCBr)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(=O)n3[nH]cnc3n1)CCO2 1835922522 AGKVHAXOJLUQEV-QGZVFWFLSA-N 469.296 -0.727 50 20 JBGD CC[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(=O)n4[nH]cnc4n3)CCO2)C1 1835926443 XWWYNYJMYHHXAB-KPZWWZAWSA-N 483.323 -0.339 50 20 JBGD CN(CC(=O)NC1CCN(C2CCN(C(=O)[C@@H](N)CN)CC2)CC1)NC(=O)NCc1ccccc1 1836344087 VPHSJMIMYMDVFG-NRFANRHFSA-N 488.637 -0.810 50 20 JBGD O=C(C1=NO[C@@H](c2ccccc2)C1)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1836588314 WTFFNTXAEVUTBJ-RDGATRHJSA-N 493.325 -0.046 50 20 JBGD COc1cnc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cnccc4C(=O)NN)CCO3)C2)c(F)c1 1837456988 RUDDQPAHOYATCS-JOCHJYFZSA-N 488.476 -0.388 50 20 JBGD O=C(C/N=C/c1ccco1)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1837562448 KWWPYEUAXCRPKK-NWBNNPRYSA-N 455.276 -0.852 50 20 JBGD CN[C@@H](CC(=O)N1CCC(OC2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1)C(=O)O 1837886807 XHNNZGYQEFJLNT-KRWDZBQOSA-N 455.556 -0.579 50 20 JBGD CN1CCN(CC(=O)N2CCC(OC3CCN(C(=O)c4ccc(B(O)O)cc4)CC3)CC2)CC1 1837919229 RXVHSCIOCLCVFX-UHFFFAOYSA-N 472.395 -0.774 50 20 JBGD C[C@@](Cl)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(=O)n4[nH]nnc4n3)C2)C1 1839152285 VCUMTXLYQKFIAG-IAGOWNOFSA-N 474.305 -0.881 50 20 JBGD N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@]4(COCCN(C(=O)c5cccc(B(O)O)c5)C4)C3)c2c1 1839487665 DSNOKWSBFIUJCL-DEOSSOPVSA-N 489.297 -0.502 50 20 JBGD Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)nc2nccn12 1839548717 LSVBOMICGQLXHV-QHCPKHFHSA-N 479.302 -0.899 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3nccc4nc[nH]c34)C2)C1 1840184313 ZIHMBCMUNSHJGE-NRFANRHFSA-N 459.507 -0.599 50 20 JBGD CC(=O)Nc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)cc1O 1840185178 MLUPOMFDHHVJCE-QHCPKHFHSA-N 491.545 -0.206 50 20 JBGD CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N1CCCC12CN(C(=O)c1cccc(B(O)O)c1)C2 1845222235 UVBQKBQPWTXRDG-KRWDZBQOSA-N 461.324 -0.541 50 20 JBGD CCn1nc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)c2ccccc2c1=O 906289404 MVCICVDFEJEQTJ-UHFFFAOYSA-N 498.521 -0.388 50 20 JBGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)NCC(=O)N1CCCCC1 916473269 KDRDVBJYYOQOHR-UHFFFAOYSA-N 481.575 -0.017 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)c3cc4n(n3)CCCC4)C2)C1 1778559978 FSTGUEQVGMFIBT-QFIPXVFZSA-N 453.503 -0.025 50 20 JBGD C[C@H](NC(=O)c1ccccc1)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779035670 LDMAFZNHPSDLTF-UPCLLVRISA-N 480.525 -0.053 50 20 JBGD CC(C)NC(=O)OC(C)(C)C(=O)N1CC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1781019996 UDTYQOMOICXRCO-QFIPXVFZSA-N 461.324 -0.277 50 20 JBGD O=C1CSc2ncc(C(=O)N3CC[C@@]4(CN(C(=O)c5ccc(B(O)O)cc5)CCO4)C3)cc2N1 1782425537 QMPMQIGLYFMKKV-QFIPXVFZSA-N 482.327 -0.437 50 20 JBGD Cc1ccc(S(=O)(=O)CC(=O)N2CCO[C@@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)cc1 1783933997 RFVDRVFITXNKLB-JOCHJYFZSA-N 480.587 -0.028 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1[C@@H](O)CCN1Cc1ccccc1)C2)[C@H](O)CCl 1792983201 CWBKPPDRJSPHSP-ROMHJBHXSA-N 451.951 -0.189 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cnnn1)C2 1793881304 ZYAJPPQOJFOIOJ-XFMPKHEZSA-N 457.919 -0.605 50 20 JBGD COc1c(Cl)ccnc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795740306 QCNAYYUXXIGHAE-XOIINTDNSA-N 459.695 -0.060 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)N1CCN(C)CC1 1799183535 DBUHOCHBHSGSBY-ZRPKMVPDSA-N 473.578 -0.654 50 20 JBGD CN1CCN(CC(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2cnccc2C(=O)NN)CC3)CC1 1818799869 JKFLZDDRBNKNRZ-ZDUSSCGKSA-N 472.575 -0.385 50 20 JBGD C[C@H](Cn1cncn1)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cccc(B(O)O)c1)CC2 1820064823 BDLQCCXYXHCMDH-IUODEOHRSA-N 454.321 -0.024 50 20 JBGD C[C@H](O)C(=O)N1CC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCN2C(=O)OCc2ccccc2)C1 1829000402 HPFMFMFIMAZJPN-AVRWGWEMSA-N 495.341 -0.187 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)[C@H]3CCCS3(=O)=O)CC2)CC1)c1ccc(B(O)O)cc1 1834798856 FXPRSADKIUKUGW-HXUWFJFHSA-N 477.392 -0.871 50 20 JBGD CC(C)N[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1)C(C)C 1835928028 BFICLJFTGPPBAF-OFNKIYASSA-N 461.368 -0.541 50 20 JBGD CNc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)cc1 1835929568 WRKBQKWEWVGMQH-HSZRJFAPSA-N 453.304 -0.208 50 20 JBGD Cc1cnc2c(C(=O)N3CCO[C@]4(COCCN(C(=O)CCC(=O)NN(C)C)C4)C3)cnn2c1 1836949955 JEHJNSXOQKYZBB-QFIPXVFZSA-N 473.534 -0.519 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4ncccn4n3)C2)C1 1837459054 IHSLJLYLGNQILJ-JOCHJYFZSA-N 480.485 -0.888 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1Cc3ccccc3N1)CCO2 1839736988 UEHULJFVZWCNSX-WMZHIEFXSA-N 459.547 -0.147 50 20 JBGD COc1ncc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)cc1C 1840183722 VXFQOCMHEAHICG-JOCHJYFZSA-N 463.535 -0.158 50 20 JBGD O=C(c1ccc(-n2c(O)nnc2O)cc1)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843011766 QMVGOBCNKKIWGY-UHFFFAOYSA-N 463.259 -0.511 50 20 JBGD Cn1c(=O)c2nc(Br)n(CC(=O)NNC(=O)c3ccc(F)cc3)c2n(C)c1=O 23058042 FCPFXYVSZWSOSM-UHFFFAOYSA-N 453.228 -0.204 50 20 JBGD Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)NNC(=O)CNC(=O)c2ccco2)C1 728210572 PDECWPPQKRWDOO-ZDUSSCGKSA-N 452.493 -0.402 50 20 JBGD CCN(CC)S(=O)(=O)c1cc(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)ccc1OC 729276173 YGPOXIBVAGTBCO-LLVKDONJSA-N 450.539 -0.576 50 20 JBGD O=C(CNC(=O)c1ccco1)NNS(=O)(=O)c1ccc(S(=O)(=O)NCC(F)(F)F)cc1 751282486 MISCAXHUIRMRAK-UHFFFAOYSA-N 484.434 -0.140 50 20 JBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNS(=O)(=O)c2cccc(S(C)(=O)=O)c2)c1 903902368 ZHFFMJLCKLPOMQ-UHFFFAOYSA-N 461.543 -0.036 50 20 JBGD CN(C)C(=O)Cn1cc(C(=O)NNC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)nn1 920274993 MNBVMDHJZTVCEN-UHFFFAOYSA-N 485.526 -0.080 50 20 JBGD C[C@H](NC(=O)c1ccc(F)cc1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1789694100 CUXJMLQZTKTPAN-UYIIBVGGSA-N 497.332 -0.083 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(S(C)(=O)=O)cn3)C[C@@H]21 1791288585 HYKLYVXLYVADSM-ZVZYQTTQSA-N 481.575 -0.549 50 20 JBGD CC(C)(C)OC(=O)NCC1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)CC1 1795732940 TYJOFPNCBXPMLO-IZZQQSIFSA-N 487.362 -0.126 50 20 JBGD CC(=O)OC[C@@H](OC(C)=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnccc1C(=O)NN 1798440115 CUFWYZNZEYTJBD-BASYENTBSA-N 461.475 -0.568 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1ccc(O)nn1 1800176780 RVECVPGNXWCSQO-TWUMKHSUSA-N 469.502 -0.162 50 20 JBGD CC(C)(C)OC(=O)N1CC2(C[C@@H]2C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)C1 1800707535 QHDSRBWBJOQSAR-PIKOESSRSA-N 499.373 -0.173 50 20 JBGD CCOC(=O)N[C@H](O)C(=O)N1CC[C@@H](CNC(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1810303690 XBVNHJOUVGEBQG-GZRFBZBPSA-N 485.501 -0.536 50 20 JBGD O=C([C@H](O)CCl)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CN(Cc4ccccc4)CCO3)C2)C1 1830731125 HYPPVHKZDVZFIQ-ZRCGQRJVSA-N 481.977 -0.057 50 20 JBGD CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](O)CCl)CCO2)C1 1830736872 BVLRVVFIPIUYGB-KQDGPHEJSA-N 491.969 -0.587 50 20 JBGD C[C@@H](Cn1cncn1)C(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834798361 LZOQSSNTKNOWIT-KRWDZBQOSA-N 468.367 -0.521 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)Cc3cnccn3)CC2)CC1)c1cccc(B(O)O)c1 1834800446 HGYRTPAJGCCSLN-UHFFFAOYSA-N 451.336 -0.416 50 20 JBGD CCOCC(=O)N1CCO[C@@]2(COCCN(C(=O)CN(C)NC(=O)NCc3ccccc3)C2)C1 1834986807 YKPLFNMOQWBJTD-HSZRJFAPSA-N 477.562 -0.175 50 20 JBGD COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)cc1O 1835926580 SUFYDGCRGHODAB-DEOSSOPVSA-N 484.314 -0.607 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCC(N2CCC(NC(=O)c3ccnnc3O)CC2)CC1 1836062634 JCYAEKVIDBHDHT-UHFFFAOYSA-N 468.518 -0.320 50 20 JBGD NC(=O)CC[C@H](N)C(=O)N1CCC(N2CCC(NC(=O)[C@H](F)Br)CC2)CC1 1836412873 ZOJMPHBWIOSYES-ZFWWWQNUSA-N 450.353 -0.159 50 20 JBGD O=C1NC(=O)[C@H](CC(=O)N2CCC(N3CCC(NC(=O)[C@H](F)Br)CC3)CC2)N1 1836414012 UDYIXJRLEYSRTG-JSGCOSHPSA-N 462.320 -0.153 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc4c3OCCO4)C2)C1 1837459677 WFKFIIDHRXNAHP-DEOSSOPVSA-N 497.508 -0.160 50 20 JBGD C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](F)Br)CCO2)C1)[C@H]1SC(=N)NC1=O 1839201450 XZCLNLGAFDNBAI-CVXDLRIPSA-N 481.344 -0.064 50 20 JBGD CC(=O)N/C(=C\c1ccco1)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1839389486 RRILGIUQMVYFOI-NIQJEMAJSA-N 497.313 -0.793 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc3ccnn13)CCO2 1839499533 JLPGPJPFSIZXDN-JOCHJYFZSA-N 458.519 -0.223 50 20 JBGD Cc1cc(C)n2nc(C(=O)NNC(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)nc2n1 3361487 SBDBYSOAHCFTSJ-UHFFFAOYSA-N 459.488 -0.163 50 20 JBGD COCCNS(=O)(=O)c1ccc(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)cc1 26070546 KWKDPFNZHJQWGP-UHFFFAOYSA-N 469.545 -0.021 50 20 JBGD COc1ccc(CCN2C[C@H](C(=O)NNC(=O)N[C@H]3CCS(=O)(=O)C3)CC2=O)cc1OC 919885554 LSEYILLUIPLYHL-CABCVRRESA-N 468.532 -0.388 50 20 JBGD CN1CCCn2nc(C(=O)N3CCO[C@@]4(CCN(C(=O)c5cnccc5C(=O)NN)C4)C3)cc2C1 1779037392 ZIDITXJLLZRPFM-HSZRJFAPSA-N 482.545 -0.526 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](O)NC(=O)OC(C)(C)C)CCO2 1783935628 WHONJZPSYFOXFQ-JXFKEZNVSA-N 457.528 -0.968 50 20 JBGD O=C(CN1C(=O)CNC1=O)Nc1ccc(C2(NC(=O)c3cccc(B(O)O)c3)CCC2)cc1 1786638762 IMAZPTOLPRKPIO-UHFFFAOYSA-N 450.260 -0.334 50 20 JBGD CNC(=S)NCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C[C@@H]21 1788614025 YQMLRPBOTDGPOC-SKIHNHESSA-N 477.591 -0.416 50 20 JBGD CC(C)(C)OC(=O)NCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21 1790990141 SZHXLELWHGXPOF-JQFCIGGWSA-N 476.534 -0.197 50 20 JBGD C[C@@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCS(=O)(=O)CC1)C2 1792868953 WEGDAULCAYXHBK-AYDFFVQHSA-N 466.398 -0.663 50 20 JBGD COc1ccc(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)cn1 1795732790 KUFKARRJKPVVDB-OPMZPASUSA-N 453.304 -0.394 50 20 JBGD CC(C)(C)OC(=O)N1[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)C[C@H]2C[C@H]21 1795732834 NVFGSBJGYRGALZ-VRNFHHEUSA-N 499.373 -0.033 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nccc2nc[nH]c12 1796238023 YNCNFWQJCISCLC-DRXBFXEBSA-N 450.459 -0.527 50 20 JBGD CC(=O)Nc1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)n1 1797749462 ALQQNUIZNKUJJO-HBCWATKFSA-N 467.486 -0.445 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)C1CCC2(CC1)OCCO2 1800380575 SYZBPMLUVAFWGD-OPVJXMOQSA-N 458.320 -0.497 50 20 JBGD O=C(NC[C@H]1CCN(C(=O)c2cc(C(=O)O)ncn2)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807369449 KHJCWCCLTYNXRX-UZLBHIALSA-N 475.270 -0.117 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)[C@@H](O)N2CCOCC2)[C@H]1c1cccnc1 1810357443 GFIYXQSPDCTTSI-NQSCKRDGSA-N 462.551 -0.889 50 20 JBGD CCNC(=S)NCC(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1812330094 FQNFYIPZGCTSJZ-FXAWDEMLSA-N 469.376 -0.435 50 20 JBGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CS(=O)(=O)N2CCCC2)[nH]n1)c1ccc(B(O)O)cc1 1817471927 WZRMCVZRLIBTNZ-SFHVURJKSA-N 489.363 -0.179 50 20 JBGD O=C1NCCn2nc(C(=O)N3CCC(N4CCC(NC(=O)[C@@H](O)CCl)CC4)CC3)cc21 1833309440 UYUBGHXTPLYSIU-KRWDZBQOSA-N 452.943 -0.589 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1nc(C)c(C)[nH]c1=O)CCO2 1833387386 YAKBMLGGKCYOCB-PVPASAESSA-N 499.528 -0.409 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)c3cc4cccnn4n3)CC2)CC1)c1ccc(B(O)O)cc1 1834798330 IVJMSYJUVIOBAO-UHFFFAOYSA-N 476.346 -0.092 50 20 JBGD Cc1noc(CC(=O)N2CCC(N3CCC(NC(=O)c4cnccc4C(=O)NN)CC3)CC2)n1 1835736838 JIBJFJCNQKUZGJ-UHFFFAOYSA-N 470.534 -0.196 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCC(N2CCC(NC(=O)c3cnncc3C(=O)O)CC2)CC1 1835920636 ZLBJSFHARPDARC-UHFFFAOYSA-N 496.528 -0.328 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)C3(C(F)(F)F)CC3)C2)C1 1835930504 KBLHMPNKWLCTCC-SFHVURJKSA-N 456.226 -0.221 50 20 JBGD COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)c1 1835931627 UGHNOIHGJKPSGX-DEOSSOPVSA-N 479.298 -0.370 50 20 JBGD Cc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)nc2nccn12 1835932337 ZYQAYRPHYFEQFX-QHCPKHFHSA-N 479.302 -0.899 50 20 JBGD C[C@@H](Oc1ccccn1)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835934527 WYHIAPOWUANCKE-UZUQRXQVSA-N 469.303 -0.701 50 20 JBGD Cc1cncc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)c1 1835935256 KJJKSDPZMZCZJU-XMMPIXPASA-N 467.331 -0.227 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1noc3c1CCCC3)CCO2 1836430147 RPFLFHIACJORBO-JOCHJYFZSA-N 463.535 -0.004 50 20 JBGD CCOc1ncccc1C(=O)N1CCOC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837456516 NRUZDNXRFJOHNG-HSZRJFAPSA-N 484.513 -0.137 50 20 JBGD CN[C@H](CC(=O)N1CCC(OC2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1)C(=O)O 1837885815 SDZOZBMYUJXCQO-LJQANCHMSA-N 461.324 -0.959 50 20 JBGD C[C@H](NC=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](CCl)NC(=O)OC(C)(C)C)C2)C1 1839158130 FPQJQEREVJCVNS-AVYPCKFXSA-N 476.958 -0.291 50 20 JBGD CC(C)(C)OC(=O)N1CCOC[C@H]1C(=O)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843011058 KKRUARXORVUSCE-SFHVURJKSA-N 473.335 -0.181 50 20 JBGD CC(C)(C)OC(=O)N1CCN(CC(=O)N2CC3(CCCN3C(=O)c3ccc(B(O)O)cc3)C2)CC1 1843012810 QYIKTXISLOUDAQ-UHFFFAOYSA-N 486.378 -0.264 50 20 JBGD O=C(CNC(=O)c1ccco1)NNC(=O)NCc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 725871369 KEMLTMVBIAOZGL-HNNXBMFYSA-N 479.515 -0.003 50 20 JBGD C[C@@H](O)CNS(=O)(=O)c1ccc(C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1 728328208 QXDANBIBBMEHCG-ACJLOTCBSA-N 493.494 -0.510 50 20 JBGD NC(=O)c1ccc(C(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)nc1 748831127 POFIVVQZZHLTTD-UHFFFAOYSA-N 461.500 -0.405 50 20 JBGD O=C(CCCS(=O)(=O)N1CCCC1)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 917391668 CXTGVZYMYAUDPR-UHFFFAOYSA-N 488.588 -0.326 50 20 JBGD COCCOCCOCCC(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779035018 ZWKUEJAAKZMNDH-JOCHJYFZSA-N 479.534 -0.802 50 20 JBGD O=C(CN1CCS(=O)(=O)CC1)N1CCO[C@]2(CCN(C(=O)[C@H](F)Br)C2)C1 1781326728 RWVWVALAUZLARY-DZGCQCFKSA-N 456.334 -0.763 50 20 JBGD COC(=O)[C@@H](CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2)NC(=O)OC(C)(C)C 1783784626 ZGJFHDABTWWFRB-ARGWCVDVSA-N 477.942 -0.128 50 20 JBGD CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N2CC[C@]3(CN(C(=O)[C@H](O)CCl)CCO3)C2)C1 1784007317 PGZZJXKWBRAOIU-VOBQZIQPSA-N 461.943 -0.212 50 20 JBGD COC(=O)[C@H]1CC=CC[C@H]1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1791233624 CUALHZWYGPNIOU-WTNASJBWSA-N 470.331 -0.285 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(N)=O)[C@H]2C1 1792281535 IWKGNKXTPYZVDE-XUXIUFHCSA-N 461.947 -0.234 50 20 JBGD CC(C)(C)OC(=O)N1[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)C[C@@H]2C[C@@H]21 1792994596 ZRWIHTCNHCXTOS-ICLLYECISA-N 499.373 -0.033 50 20 JBGD CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(B(O)O)cc1)C2 1800166979 OLYFLGBUSQZEAW-FCGDIQPGSA-N 475.351 -0.106 50 20 JBGD O=C(COc1cccnn1)Nc1nc2c(s1)C[C@H](NC(=O)c1cccc(B(O)O)c1)CC2 1826759666 LANQOVRDJLVGGG-CQSZACIVSA-N 453.289 -0.082 50 20 JBGD CN(CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2)NC(=O)NCc1ccccc1 1830733951 XEZSJFULWYOAGD-GCJKJVERSA-N 497.980 -0.611 50 20 JBGD C[C@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3C(=O)CNC3=O)CCO2)C1 1832320144 HFRYSAIYGSOUPK-SJKOYZFVSA-N 461.313 -0.974 50 20 JBGD C[C@@](Cl)(CCl)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCS(=O)(=O)CC3)CCO2)C1 1832487196 BFEGIJKQEABSOQ-MSOLQXFVSA-N 486.418 -0.591 50 20 JBGD Cc1nc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)ccc1F 1833462903 RBIIEXBUCAACNP-QFIPXVFZSA-N 457.267 -0.407 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1835931013 CNAQMADYDUPFNV-YOEHRIQHSA-N 459.077 -0.873 50 20 JBGD COc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)cc1OC 1835931402 QXDAMZIDWBXFQX-DEOSSOPVSA-N 484.314 -0.233 50 20 JBGD O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835932327 ZKCFGRIIXAZIMG-QFIPXVFZSA-N 487.249 -0.203 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(Cl)nc3)C2)C1 1837456873 RIRQNDUJRNSXPW-HXUWFJFHSA-N 475.893 -0.488 50 20 JBGD C[C@H](NC(=O)c1cnccn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1837610498 UBNPRBRLNZVEPR-SGTLLEGYSA-N 460.318 -0.145 50 20 JBGD Cc1cn(CC(=O)N2CCOC[C@@]3(CN(C(=O)CO[Si](C)(C)C)CCO3)C2)c(=O)nc1O 1837718097 XNUIIPGRJGZJDL-FQEVSTJZSA-N 468.583 -0.435 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccn(C(F)F)c1=O)CCO2 1837770162 WHGROMXTDJRGGJ-JOCHJYFZSA-N 491.256 -0.693 50 20 JBGD C[C@@H](CN)C(=O)N1CCOC[C@]2(CN(C(=O)CN(C)NC(=O)NCc3ccccc3)CCO2)C1 1839054348 VFBWFNXFZKYWJP-MBSDFSHPSA-N 476.578 -0.616 50 20 JBGD CC(C)(C)OC(=O)NCCOCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1839139150 ZSRQRPVMOGFUJP-MGPUTAFESA-N 479.958 -0.416 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(F)c1[N+](=O)[O-])CCO2 1839356510 FNVKRGKRYRMNHB-JOCHJYFZSA-N 487.249 -0.203 50 20 JBGD COc1ccc([C@@H](O)C(=O)N2CCOC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)cc1 1840183266 WVPUXWUXVGUOAC-FYYLOGMGSA-N 478.546 -0.442 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(O)cc3F)C2)C1 1840184764 AIEKVCIUXRUQHL-OAQYLSRUSA-N 452.483 -0.026 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)[C@@H]2CCc3nc(O)nc(O)c3C2)C1 1842058757 CYODNAFWQKFLNN-GFCCVEGCSA-N 467.486 -0.492 50 20 JBGD CC[C@H](Br)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 1848150008 DMMHXUOKMJSASH-AVGNSLFASA-N 481.351 -0.191 50 20 JBGD COc1ccc(S(=O)(=O)NCC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cc1OC 769597133 MTESRTDQDNMZQS-UHFFFAOYSA-N 461.460 -0.581 50 20 JBGD O=C(COC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)NNC(=O)c1ccc(Cl)cc1 914651762 ONYTUKAMOLCICV-TZMCWYRMSA-N 457.892 -0.320 50 20 JBGD CC(C)Cn1cnc2c1c(=O)n(CC(=O)NNC(=O)[C@@H]1CC(=O)N(C)C1)c(=O)n2Cc1ccccc1 914755946 BSQUAXJQSMKAQI-QGZVFWFLSA-N 495.540 -0.310 50 20 JBGD O=C(NNC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@@H]2CCCO2)c1)N[C@@H]1CCS(=O)(=O)C1 919886683 YLWINBUNSTXQTF-OLZOCXBDSA-N 494.979 -0.072 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](O)N3CCOCC3)C2)C1 1779087051 HOQYSTNVSWDIAF-XPIZARPCSA-N 490.985 -0.401 50 20 JBGD Cn1nc(C(F)(F)F)cc1C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1779654110 ARSDZDBQHNLADF-IBGZPJMESA-N 466.225 -0.124 50 20 JBGD CN(CC(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)NC(=O)NCc1ccccc1 1780968982 RQWYVKUITCZIFQ-JOCHJYFZSA-N 457.487 -0.750 50 20 JBGD COC(OC)C(=O)N1CCO[C@@]2(CCN(C(=O)CN(C)NC(=O)NCc3ccccc3)C2)C1 1780970419 XZARWTGNUOGPLB-JOCHJYFZSA-N 463.535 -0.219 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)CCO2 1783933408 XYLQDEMOHOTHEE-ZHRRBRCNSA-N 485.582 -0.535 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)n3cncn3)[C@H]2C1 1791612582 UXDWKKPTCAYZKN-MMGYIDLSSA-N 456.507 -0.047 50 20 JBGD CC(C)(C)OC(=O)N1CCN(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](O)CCl)CC1 1792983393 KJEKNEDZOUHWAE-KYHPRHEASA-N 474.986 -0.272 50 20 JBGD Cc1nn2cc(CC(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)c3cccc(B(O)O)c3)C4)nc2s1 1793662292 HPLQRNDTQQXRCB-CCWDJLKJSA-N 469.332 -0.775 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccccc1C(=O)OCCO)C2)c1ccc(B(O)O)cc1 1795735194 OEQAGGSKYWNNQA-UPHUGPLXSA-N 482.298 -0.968 50 20 JBGD Cc1cc(C(=O)NCC(=O)N2CCC3(CCCN(C(=O)c4ccc(B(O)O)cc4)C3)CC2)no1 1809970959 DZZIGCTUAOGIGS-UHFFFAOYSA-N 468.319 -0.062 50 20 JBGD CC(=O)N1CCN(CC(=O)N2CC[C@H](CNC(=O)CCC(=O)NN(C)C)[C@@H]2c2cccnc2)CC1 1813069806 CXYSWYLVHXWRND-YKSBVNFPSA-N 487.605 -0.376 50 20 JBGD O=C(/C=C/C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2)NCc1ccccc1 1830719618 GUTRKYCKAKFSFG-IKLPIYGKSA-N 465.934 -0.085 50 20 JBGD O=C(c1ccc2nc(CO)[nH]c2c1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830727860 IKHOGIVOQIPOOQ-OXQOHEQNSA-N 452.895 -0.275 50 20 JBGD CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](O)CCl)CCO2)C1 1830733730 RYBYHEVBMYKWJG-BXTJHSDWSA-N 479.958 -0.682 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(CN(C(=O)Cn3nnc4ccccc43)CCO2)C1 1832205677 MUHPIGQTFNRABO-QHCPKHFHSA-N 494.512 -0.800 50 20 JBGD O=C(Cc1ncccn1)NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1833875906 MULRBJBQBTXGKL-UHFFFAOYSA-N 451.336 -0.416 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1)c1ccc(=O)oc1 1834341230 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C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1)N1CSCSC1 1837570323 KXQUFLUMZRCDSZ-HRAATJIYSA-N 495.432 -0.521 50 20 JBGD COc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)c(O)c1 1838888178 RYXQIQQHCBBMNF-QHCPKHFHSA-N 470.287 -0.536 50 20 JBGD COC(=O)[C@H]1CC[C@H](C(=O)N2CCOC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)CC1 1840182511 KNJMNOILAWEUQL-PMAPCBKXSA-N 482.578 -0.205 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3[nH]nc4ccncc34)C2)C1 1840184098 RLFLZKRQALWIQE-OAQYLSRUSA-N 459.507 -0.599 50 20 JBGD Cc1n[nH]c(C)c1CC(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840185688 UXZCPZZVYXJAPB-OAQYLSRUSA-N 450.540 -0.602 50 20 JBGD COCCn1cnc2c1c(=O)n(CC(=O)NNC(=O)[C@@H]1CCCOC1)c(=O)n2Cc1ccccc1 727726242 XFQZAIMVUDPTRW-QGZVFWFLSA-N 484.513 -0.372 50 20 JBGD COc1cc2c(cc1OC)[C@@H](CC(=O)NNC(=O)CS(=O)(=O)C(C)C)N(S(C)(=O)=O)CC2 917767251 FTCDCWGDKKWHDQ-OAHLLOKOSA-N 491.588 -0.077 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnc4ncccn34)C2)C1 1777935152 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-0.884 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3Cc4ccccc4CN3)C[C@@H]21 1788610367 NTXDWUWRKYGICB-MVWVFHAYSA-N 478.553 -0.007 50 20 JBGD COC[C@@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)NC(=O)c3cnccn3)C[C@@H]21 1791255355 NXJHVXUEQUNASO-JGFGOLAASA-N 453.927 -0.172 50 20 JBGD CC(C)(C)OC(=O)N1CCn2nnc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)[C@H](O)CCl)C4)c2C1 1797315624 MFPUZJVSHXDMRO-OCVGTWLNSA-N 498.968 -0.168 50 20 JBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1[C@@H](O)CCN1Cc1ccccc1)C2 1801012714 HAAGPAUEWFWQTP-MLNGRUJYSA-N 487.601 -0.416 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@@H](CNC(=O)[C@@H]2C[C@H](O)CN2)[C@H]1c1cccnc1 1807694841 GIWKOBOVPBXVGT-XKXFTIQBSA-N 467.530 -0.056 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1813074286 SNNHJBLHPZUQDF-HRAATJIYSA-N 482.545 -0.227 50 20 JBGD NC(=O)c1nccnc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1 1817472120 JMFUHHJRKHASBZ-HNNXBMFYSA-N 463.263 -0.402 50 20 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CC(C)(C)OC(=O)N1CCOC[C@@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1832004918 RNHSUEKBSSVSJO-WHSLLNHNSA-N 491.969 -0.322 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CCOC[C@@]2(CN(C(=O)CS(C)(=O)=O)CCO2)C1 1835256655 LIEPMBDQNAGSAN-HXUWFJFHSA-N 499.498 -0.365 50 20 JBGD Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)c(O)n1 1838669162 LQXQUNSTQHRHTR-JOCHJYFZSA-N 455.276 -0.841 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc3nccn13)CCO2 1839552212 NQTFLZYGGWIOIX-QHCPKHFHSA-N 479.497 -0.283 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1Cc3ccccc3N1)CCO2 1839735311 ZZKZOXQGKFPKLD-URXFXBBRSA-N 465.315 -0.527 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ccc3c(c1)CCO3)CCO2 1839999744 QWOPMUCADFPRRX-XMMPIXPASA-N 474.558 -0.007 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCc3ccccc3O1)CCO2 1840136942 PIPDWNRFTSVJRT-RDGATRHJSA-N 480.326 -0.170 50 20 JBGD CC(C)(C)OC(=O)N[C@H](CCCNC(=N)N)C(=O)N1CC2(CCCN2C(=O)[C@@H](O)CCl)C1 1841350567 KMFZOVNWFBIICG-KGLIPLIRSA-N 474.990 -0.054 50 20 JBGD CC(C)(C)OC(=O)N1C[C@@](C)(O)C[C@H]1C(=O)N1CCCC12CN(C(=O)c1ccc(B(O)O)cc1)C2 1846230538 UIZUMONWTUSZEG-MBSDFSHPSA-N 487.362 -0.056 50 20 JBGD COc1cc(N2C[C@@H](C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)CC2=O)cc(OC)c1OC 729276257 AETUJXASEKKNKY-QWRGUYRKSA-N 458.493 -0.850 50 20 JBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)c1 914748248 QNVJPUIFNYVWKF-UHFFFAOYSA-N 486.528 -0.374 50 20 JBGD CCn1nc(C(=O)NNC(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)c2ccccc2c1=O 920275414 BVOUZYSXVWUSGU-OAHLLOKOSA-N 456.503 -0.642 50 20 JBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2)c1cc2n(n1)CCCNC2=O 1778916075 JXOFVQKMMHUSTJ-HYBUGGRVSA-N 495.345 -0.862 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@H](O)CN3)C2)C1 1781046813 XSRJTNAZSQGXOZ-WJPUGNRLSA-N 462.459 -0.314 50 20 JBGD C[C@@H](Nc1cccnc1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1786864132 SZEANDWFDYUTPE-GWKIZSTFSA-N 452.320 -0.145 50 20 JBGD COc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)c(O)c1 1789481911 MVEQMDHEWZEVLP-ZRCAFCQKSA-N 454.288 -0.012 50 20 JBGD C[C@@H](O)[C@H](NC(=O)c1ccccc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)CCl 1792975816 ZAJVGDMPAMICJA-SJJFVQKZSA-N 453.923 -0.645 50 20 JBGD O=C(CCn1c(=O)oc2ccccc21)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1793984985 IXTQHHZRNXMCIS-FAQVEIGNSA-N 479.298 -0.432 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1cccc(-n2cncn2)c1 1799774787 UBTAEUGYRDVKPP-RMFSNUHRSA-N 461.287 -0.536 50 20 JBGD CN(CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1cnn(C)c1)NC(=O)NCc1ccccc1 1801420853 XAIZXMYVBBHBQV-JHDGKUDLSA-N 483.573 -0.102 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@@H](CNC(=O)[C@@H](N)CCC(N)=O)[C@@H]1c1cccnc1 1807040136 GOULBJJDYMKEPI-VCNDSEKESA-N 482.545 -0.186 50 20 JBGD CC(=O)NCCC(=O)NC[C@@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1812661731 KCYTWADICBZRHO-OXJNMPFZSA-N 453.503 -0.074 50 20 JBGD C[C@H](Cn1cncn1)C(=O)N[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815344389 XACMCZPLBMXUBS-IUODEOHRSA-N 454.321 -0.024 50 20 JBGD CN1CCN(CC(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc(B(O)O)c3)[nH]n2)CC1 1818912088 PRZQZYPQTNMWIJ-IBGZPJMESA-N 454.340 -0.357 50 20 JBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1CCc2nc(NC(=O)[C@@H]3CCCS3(=O)=O)sc2C1 1824933502 FGKAILMYWNVNBN-BMIGLBTASA-N 478.556 -0.055 50 20 JBGD C[C@@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4n(n3)CCNC4=O)C2)C1 1830537986 SHKAHBLEGIFTAE-DJJJIMSYSA-N 484.351 -0.273 50 20 JBGD CC(C)(C)OC(=O)N1CCO[C@H](C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)C1 1830719792 KORFEBYEYXBFPD-CKJXQJPGSA-N 491.969 -0.322 50 20 JBGD O=C1Nc2c(cccc2C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)C1=O 1830730655 COQQOCOCLJQSHD-JLTOFOAXSA-N 451.863 -0.509 50 20 JBGD N#C/C(=C\c1ccc(F)cc1F)C(=O)N1CCOC[C@@]2(CN(C(=O)CC[C@@H](N)C(N)=O)CCO2)C1 1835748343 SQYBSUIPHWDXGJ-LHMGHXNASA-N 491.495 -0.079 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])o3)C2)C1 1835933928 IYEQHRBNBPBVSK-HXUWFJFHSA-N 459.220 -0.749 50 20 JBGD CC(=O)Nc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)o1 1837450519 MLADSWNSTLKKFK-JOCHJYFZSA-N 471.275 -0.698 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccnc3S)C2)C1 1837456960 UOMJORCLLPMQGU-NRFANRHFSA-N 472.527 -0.247 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/c3cccnc3)C2)C1 1837457181 XKKZLWPTPRCZCK-OSFWOZTASA-N 466.498 -0.137 50 20 JBGD C[C@H](Nc1nccs1)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837457676 MWRBKNYSFZXTMY-LHSJRXKWSA-N 489.558 -0.288 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4cn[nH]c4cn3)C2)C1 1837459419 ONNOJBOXIYFXMM-QFIPXVFZSA-N 480.485 -0.660 50 20 JBGD C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnccc1C(=O)NN)CCO2 1837459904 OUGJYKYRIOEQOZ-QFIPXVFZSA-N 475.502 -0.736 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837490384 BGZMJEVWSDWYBD-XMMPIXPASA-N 485.541 -0.546 50 20 JBGD Cc1ccc(=O)n(C(C)(C)C(=O)N2CCO[C@@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)n1 1837658899 FBPXKUWUFZISBD-HSZRJFAPSA-N 492.577 -0.884 50 20 JBGD COc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)cc(Cl)n1 1838230425 CJXOVQPLWFEELT-QFIPXVFZSA-N 489.721 -0.193 50 20 JBGD CC(=O)N[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1)C(C)(C)C 1840183039 ZRSMWBFEPPOALU-KNQAVFIVSA-N 469.583 -0.633 50 20 JBGD C[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1)n1ccccc1=O 1840185651 RUMRAOHEKNKESW-HTAPYJJXSA-N 463.535 -0.761 50 20 JBGD C[C@@H](Oc1ccccn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1840427621 MMBUNVFLUWHBBV-VGOFRKELSA-N 463.535 -0.322 50 20 JBGD O=C(CNC(=O)c1ccco1)NNC(=O)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1 725902743 TYRKTGPJZSSQAJ-CQSZACIVSA-N 450.473 -0.072 50 20 JBGD COc1cc2c(cc1OC)[C@H](CC(=O)NNS(=O)(=O)c1ccn(C)n1)N(S(C)(=O)=O)CC2 727351928 SFNNTXRXSQXUEA-AWEZNQCLSA-N 487.560 -0.304 50 20 JBGD CCn1cnc2c1c(=O)n(CC(=O)NNC(=O)c1ccc3nncn3c1)c(=O)n2Cc1ccccc1 749386631 JUMLNYVKWWGRQU-UHFFFAOYSA-N 487.480 -0.068 50 20 JBGD CC(=O)NNC(=O)C1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1 912691770 AVZLNAXHDKCYJW-UHFFFAOYSA-N 455.493 -0.001 50 20 JBGD CC[C@H](NC(N)=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cnccc1C(=O)NN)C2 1777984498 IFJBRICQWJETEZ-GCKMJXCFSA-N 461.523 -0.741 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCc1nc(N)n[nH]1)C2 1778091278 UYPRVRHXMRPSEA-AMALEDKHSA-N 485.549 -0.033 50 20 JBGD C[C@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnccc2C(=O)NN)C1)n1cncn1 1779374652 AOTJMMPHBYTICN-SOIKWTOOSA-N 456.507 -0.335 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)CCO2 1783933819 HREWKMQHXRZAGL-QFIPXVFZSA-N 480.587 -0.165 50 20 JBGD C[C@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCS(=O)(=O)CC3)[C@H]2C1 1785036311 FMZDUMAVWJIIEW-AJNGGQMLSA-N 466.398 -0.520 50 20 JBGD O=C1CN(c2cccc(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)[C@H](O)CCl)C[C@@H]43)n2)CCCN1 1785783854 IRNZNARKHYCPAG-ONIAQPFYSA-N 479.965 -0.399 50 20 JBGD Cn1c(=O)n(C)c2cc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)c5ccc(B(O)O)cc5)[C@H]4C3)ccc21 1786979782 QIWKKAYTGIGEAB-JLMWRMLUSA-N 492.341 -0.536 50 20 JBGD CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCBr 1795117052 KEPVSVBYQZZYAB-IARIHHJXSA-N 456.341 -0.169 50 20 JBGD CC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cnc3c1c(=O)n(C)c(=O)n3C)C2 1799263532 PDOZIRPQICEFIS-XFMPKHEZSA-N 466.926 -0.959 50 20 JBGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCc3nc(O)nc(O)c3C1)C2 1800974133 MKNXCIXIZFLSDT-VOZNZKSSSA-N 454.911 -0.164 50 20 JBGD CC(=O)N1CCN(CC(=O)N2CC[C@H](CNC(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)CC1 1807362446 LZGBFPDVXPULRR-QPPBQGQZSA-N 493.373 -0.755 50 20 JBGD Cc1cn(CC(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(B(O)O)cc3)[nH]n2)c(=O)nc1O 1823366935 GCBRHBUMOHGBFG-KRWDZBQOSA-N 480.290 -0.334 50 20 JBGD CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CCC(=O)NN(C)C)CC2 1826649529 BPVZKZAOYQZYDW-XJKSGUPXSA-N 490.590 -0.101 50 20 JBGD CCOC(=O)N[C@@H](O)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 1828760137 SWKBHGJUKXBTKB-OALUTQOASA-N 461.324 -0.336 50 20 JBGD COC[C@@H](NC(C)=O)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 1829114281 RINDEQBASYAAHF-RTWAWAEBSA-N 459.352 -0.249 50 20 JBGD COc1ccc(OCC(=O)N2CCO[C@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)cc1 1830238410 LASXQPGWVZHEAY-XMMPIXPASA-N 499.524 -0.157 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)COc1ccc(O)cc1)CCO2 1830349953 QFJXPUACPVKRFQ-JOCHJYFZSA-N 464.519 -0.400 50 20 JBGD Cc1nn(C)c(C)c1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1831808715 LCJGAAYZDLSETL-JOCHJYFZSA-N 456.308 -0.899 50 20 JBGD Cc1ccncc1CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1833009941 RRCWSBPBRPAZSH-DEOSSOPVSA-N 467.331 -0.227 50 20 JBGD Cc1noc(C)c1CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1833064146 QQSUWRSXSHAKOB-HSZRJFAPSA-N 471.319 -0.326 50 20 JBGD O=C(COc1ccc(F)cc1)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1834961007 APNOZHUSOOVMJQ-HSZRJFAPSA-N 472.278 -0.346 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)c3c[nH]c4ncccc34)C2)C1 1835936898 IKZJZYZFIKMYKK-HSZRJFAPSA-N 464.287 -0.374 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)c3nnc(-c4ccccc4)o3)C2)C1 1835938517 XDWUGXIZDMDNNG-XMMPIXPASA-N 492.297 -0.200 50 20 JBGD C[C@H](NC(=O)c1ccccc1)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835941143 JARRGYJOMDMTBP-AVRWGWEMSA-N 495.341 -0.745 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc4ncnn4c3)CCO2)C1 1837168914 ATXOQANPVPKXPY-QFIPXVFZSA-N 480.485 -0.888 50 20 JBGD CCOc1ncccc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837456521 NRUZDNXRFJOHNG-QHCPKHFHSA-N 484.513 -0.137 50 20 JBGD CN(CC(=O)N1CCO[C@@]2(COCCN(C(=O)C(=O)C3CC3)C2)C1)NC(=O)NCc1ccccc1 1839054180 KNAYERQSYFQKCX-DEOSSOPVSA-N 487.557 -0.232 50 20 JBGD CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1839203368 JRPBTGMOWZCUEU-AVYPCKFXSA-N 479.958 -0.682 50 20 JBGD Cc1ncc(CC(=O)N2CCO[C@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)s1 1840401240 UCURYZWSJQGHSK-FQEVSTJZSA-N 453.565 -0.177 50 20 JBGD CC(C)N1CCC[C@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1840583147 WDCBRHUSYDHRTN-REWPJTCUSA-N 459.352 -0.691 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(CO)c(F)c1)CCO2 1840784662 WWQKEMMDUKPBTM-JOCHJYFZSA-N 466.510 -0.239 50 20 JBGD CCn1cnc2c1c(=O)n(CC(=O)NNC(=O)[C@H]1CC(=O)N(C3CC3)C1)c(=O)n2Cc1ccccc1 913008579 IQHIUEVXWOSYJH-INIZCTEOSA-N 493.524 -0.414 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CN2CCN(C)CC2)C1 1778848275 DRZWANKIVAPKMM-UMVRBXGHSA-N 487.605 -0.118 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1nc3c(=O)[nH]c4ccccc4n3n1)CCO2 1783936382 VGJNNZLWWCVXCP-QHCPKHFHSA-N 496.528 -0.613 50 20 JBGD NC(=O)c1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)cc1 1786982243 TWOZKGXLFKMTFC-IHPCNDPISA-N 451.288 -0.628 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CN2C(=O)C=CC2=O)n[nH]1 1822529150 HTRCXHUPNPANEO-OAHLLOKOSA-N 466.458 -0.361 50 20 JBGD CN(CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1)C(=O)c1ccccc1 1831142631 BXPGFZVSQOAVBK-UWJYYQICSA-N 453.923 -0.185 50 20 JBGD C[C@@H](Cn1cccn1)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1833199340 PBQCZFKXMSENCZ-KSFYIVLOSA-N 471.518 -0.712 50 20 JBGD Cc1nnc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)s1 1835935666 YOFYRTUAHSHVMZ-OAQYLSRUSA-N 474.348 -0.771 50 20 JBGD CC[C@@H](NC(C)=O)C(=O)N1CCC(OC2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1836616713 HBBFIBIDLSTLSK-OAQYLSRUSA-N 459.352 -0.107 50 20 JBGD COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)cc1O 1837455631 AUKHHFQWXYPMGA-DEOSSOPVSA-N 499.524 -0.288 50 20 JBGD CC(=O)OC[C@H](OC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)Br)C2)C1 1837502347 KGZRYZNUACOCBZ-QITLCBANSA-N 479.324 -0.279 50 20 JBGD COc1nc(C)ccc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1838175247 OHQDPJTXOSTBTN-QHCPKHFHSA-N 484.513 -0.219 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc3ccnn3c1)CCO2 1839571336 OQJUWKPOUGEQLT-QFIPXVFZSA-N 458.519 -0.223 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)Cc1ccccc1)CCO2 1839957874 KFQFPWHCBJTMOS-QPPBQGQZSA-N 468.315 -0.960 50 20 JBGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1840031868 FFMZTJKEEUTQNN-UGSOOPFHSA-N 455.114 -0.780 50 20 JBGD C[C@H](NC(=O)c1ccccn1)C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840185506 SMUNWTCPOQJOKO-SBUREZEXSA-N 490.561 -0.971 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCCC12CN(C(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)C2 1846383879 DRMZVDUIRAQXAI-OAHLLOKOSA-N 455.556 -0.162 50 20 JBGD CCCC[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 22312646 DNCPTTUCTJWBNA-OCCSQVGLSA-N 456.546 -0.134 50 20 JBGD COc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)c1cc2c(=O)n(C)c(=O)n(C)c2n1C 920604657 AQOKAOQOJJFZOQ-UHFFFAOYSA-N 477.861 -0.144 50 20 JBGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NN/C=C2\C(=O)NC(=S)N(CCOC)C2=O)c1 920975296 CMYBRRLCRSGVIC-NTCAYCPXSA-N 483.572 -0.275 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)c3nc4c(=O)[nH]c5ccccc5n4n3)C2)C1 1778054918 AJHCPBUOROBYTQ-QHCPKHFHSA-N 496.528 -0.613 50 20 JBGD CN(CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H]1C[C@@H](O)C1)CCO2)NC(=O)NCc1ccccc1 1780968504 LWXKGQDDBXDRAO-SELNLUPBSA-N 459.547 -0.067 50 20 JBGD C[C@@H](CC(N)=O)C(=O)N1CCO[C@@]2(CCN(C(=O)CN(C)NC(=O)NCc3ccccc3)C2)C1 1780969442 MCGSTRRMWQAMSQ-GAJHUEQPSA-N 474.562 -0.326 50 20 JBGD CC(=O)O[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1)C(C)C 1788610978 DAUGWIZIAUYBPI-QZHFEQFPSA-N 461.519 -0.134 50 20 JBGD CC(C)(C)OC(=O)N1CC[C@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1793633731 YDQFSJSHCSSMJQ-DACLVMHWSA-N 488.545 -0.102 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)NC(=O)c1ccccn1 1800202856 MMTSLEOFDWETEF-YRPAGXDXSA-N 495.540 -0.077 50 20 JBGD O=C(NC[C@@H]1CCN(C(=O)c2cnncc2C(=O)O)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807360942 MXKPIAGLIWDNGF-OXJNMPFZSA-N 475.270 -0.117 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCC([C@H]2CCCCN2C(=O)c2cc(=O)n3[nH]nnc3n2)CC1 1827399227 WNZMFOUCZASNMT-GOSISDBHSA-N 479.306 -0.961 50 20 JBGD COc1ccc(OCC(=O)N2CCO[C@@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)cc1 1830242582 MBMLVJBHEFKYMG-HSZRJFAPSA-N 478.546 -0.097 50 20 JBGD CC(C)(C)OC(=O)N1CCO[C@H](C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)C1 1830719793 KORFEBYEYXBFPD-QYWGDWMGSA-N 491.969 -0.322 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3coc(Cl)n3)CCO2)C1 1833556849 RQBGLZGFGMMSPP-IBGZPJMESA-N 464.866 -0.290 50 20 JBGD Cc1ccccc1NCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1835862397 MZWDNEBNNJNKMA-XMMPIXPASA-N 467.331 -0.143 50 20 JBGD Nc1ccccc1/C=C/C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835928113 DQNIZACMERODQX-REXAPNPKSA-N 465.315 -0.268 50 20 JBGD O=C(c1ccn2ccnc2c1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835930265 GFSVNTSLRVGPKK-HSZRJFAPSA-N 464.287 -0.602 50 20 JBGD COC(=O)[C@@H]1CC[C@@H](C(=O)N2CCOC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)C1 1835933780 DGVZWGVTIYXVTQ-PNCHPQGNSA-N 474.319 -0.974 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cccnc3)CCO2)C1 1836158561 MCZIVZVEYDYOBU-QFIPXVFZSA-N 454.487 -0.607 50 20 JBGD COc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)cc1 1838966034 YBFSITSGUUSVLI-HSZRJFAPSA-N 454.288 -0.241 50 20 JBGD O=C(CCN1CCOCC1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839198842 DLRSNZCFMUMNQR-RDJZCZTQSA-N 452.321 -0.144 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(O)ccc1F)CCO2 1839296382 BHRRINJUESLBGV-OAQYLSRUSA-N 452.483 -0.026 50 20 JBGD CNC(=O)c1ccc(C(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cn1 728513918 ZLUMRVWXCZCIOS-UHFFFAOYSA-N 475.527 -0.144 50 20 JBGD CN1CCN(C(=O)CCNC(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)CC1 916434722 SJCDUFSSKWZUIZ-UHFFFAOYSA-N 466.564 -0.421 50 20 JBGD NS(=O)(=O)c1ccc(N2CCN(CC(=O)NNC(=O)c3cccc([N+](=O)[O-])c3)CC2)cc1 917108895 ASTVIJPUDHATHO-UHFFFAOYSA-N 462.488 -0.175 50 20 JBGD O=C(NNC(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1)c1csc(N2CCOCC2)n1 918779224 HQKJCYBQQHFZEY-UHFFFAOYSA-N 465.536 -0.899 50 20 JBGD CC(C)CN1C(=O)/C(=C/NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)C(=O)NC1=S 920978052 RLPMANPSXWSGEW-NTEUORMPSA-N 453.546 -0.046 50 20 JBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)C2)C1 1778116068 GHCIHQHSODDZFC-MAUKXSAKSA-N 451.973 -0.258 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H]1Cc3ccccc3CN1)CCO2 1779030322 NYLGHNNZRGHCRX-HYBUGGRVSA-N 464.526 -0.157 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](O)N3CCOCC3)C2)C1 1779087050 HOQYSTNVSWDIAF-WJPUGNRLSA-N 490.985 -0.401 50 20 JBGD C[C@H](Br)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CN(CCO)CCO)C1 1781840935 MUSNORGTBJTIPF-HDMKZQKVSA-N 450.374 -0.430 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@@]2(CCN(C(=O)CNC(=O)C(F)(F)F)C2)C1 1783979407 NDVNXLPMXFTBIH-LLXCYVELSA-N 472.424 -0.371 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]c3c1CS(=O)(=O)C3)C2)[C@@H](F)Br 1799346644 UMUWQTQKYDIDLP-LVNATWPUSA-N 465.301 -0.268 50 20 JBGD O=C(NC[C@@H]1CCN(C(=O)c2cccc(=O)n2O)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807362335 JZTHFXOGOIALQJ-UWJYYQICSA-N 462.271 -0.206 50 20 JBGD CN(CC(=O)N1CC[C@H](CNC(=O)[C@@H](N)CN)[C@@H]1c1cccnc1)NC(=O)NCc1ccccc1 1808266129 DMMVOUQPUMESIT-URVUXULASA-N 482.589 -0.280 50 20 JBGD Cc1cc(C(=O)NCC(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2ccc(B(O)O)cc2)CC3)no1 1819931645 KNZFZMCRZDIMAM-AWEZNQCLSA-N 483.315 -0.225 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CC(c3ccccc3)=NO1)CCO2 1831254449 JOPLKVFPNMZDHP-DHLKQENFSA-N 493.325 -0.370 50 20 JBGD COc1cncc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)c1 1832918786 DAWCILVOQOWXMA-HSZRJFAPSA-N 477.562 -0.148 50 20 JBGD CC[C@@H](NC(C)=O)C(=O)NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1833094670 RVEAKIITTWSRBF-OAQYLSRUSA-N 458.368 -0.534 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC1CCN(C2CCN(C(=O)Cn3cnnn3)CC2)CC1 1835117779 LLUZWQPEDVZACB-MFKUBSTISA-N 470.538 -0.621 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC1CCN(C2CCN(C(=O)[C@H]3CCC(=O)N3)CC2)CC1 1835737015 RFNPTGXGNDOHEM-GOSISDBHSA-N 457.535 -0.851 50 20 JBGD O=C(Cc1cccnc1Cl)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835927580 UJJGNCZZSIXPHL-QFIPXVFZSA-N 473.722 -0.273 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)c3nnsc3C3CC3)C2)C1 1835928429 PUGKXGMAHXDIHC-NRFANRHFSA-N 472.332 -0.521 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)c3ccc(Cl)cn3)C2)C1 1835930579 NNOHIGAMRUULKU-OAQYLSRUSA-N 459.695 -0.201 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4cccc(F)c34)C2)C1 1835939373 OQNXKJNUNQJKGC-HSZRJFAPSA-N 482.277 -0.234 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(O)n3)C2)C1 1837457228 YIBQVDNWOCCDHQ-OAQYLSRUSA-N 456.459 -0.831 50 20 JBGD C[C@H](NC(=O)c1cnccn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1837608845 KFOCELFDFVRQGI-WRSAYESZSA-N 488.314 -0.258 50 20 JBGD O=C(O)c1cnncc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1837949169 LWNMTNSTIOBAPX-MLGOLLRUSA-N 461.244 -0.065 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCC(OC2CCN(C(=O)CN3C(=O)C=CC3=O)CC2)CC1 1838789687 SWVUPACNWDIKBJ-UHFFFAOYSA-N 463.535 -0.717 50 20 JBGD CC1CCN(CC(=O)N2CCOC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)CC1 1840182751 SDBQWJOGJLTPDO-QFIPXVFZSA-N 453.584 -0.452 50 20 JBGD COc1cnc(C(=O)N2CCOC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)c(F)c1 1840183732 WIQSFFWVQPNQHJ-NRFANRHFSA-N 467.498 -0.328 50 20 JBGD O=C(COC(=O)CCNC1=NS(=O)(=O)c2ccccc21)NNC(=O)[C@@H]1COc2ccccc2O1 9550933 GFHJOMXIYBSXOA-INIZCTEOSA-N 488.478 -0.354 50 20 JBGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 729617795 HBZCGJBCHVWATQ-RTBURBONSA-N 495.602 -0.166 50 20 JBGD O=C(NNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Br)C(=O)N1CCCC1 748247794 XAKQWYGBPIVARI-UHFFFAOYSA-N 489.348 -0.147 50 20 JBGD COc1ccc(CC(=O)NNC(=O)CNC(=O)c2ccco2)cc1S(=O)(=O)N1CCOCC1 751207108 RVLSCJQVAXMNLE-UHFFFAOYSA-N 480.499 -0.571 50 20 JBGD Cc1c(/C=C(/C#N)C(=O)OCC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)cc(C#N)n1C 913286983 PLVJIWIEEXITTJ-ZTXRYZOMSA-N 459.528 -0.013 50 20 JBGD CN(CC(=O)NNC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1)S(=O)(=O)c1cccnc1 916133356 ITJWJVQFVXHXQQ-UHFFFAOYSA-N 461.909 -0.536 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)c3ccc4nc(CO)[nH]c4c3)C2)C1 1777705270 XXNOFGBBBUGPEP-QHCPKHFHSA-N 464.287 -0.508 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)CCNC(=O)c3ccc[nH]3)CCO2)C1 1779028486 MFIVZUSOACXBBS-QFIPXVFZSA-N 469.502 -0.723 50 20 JBGD COCCOCCOCCC(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779035019 ZWKUEJAAKZMNDH-QFIPXVFZSA-N 479.534 -0.802 50 20 JBGD CC(=O)N[C@H](C(=O)N1CC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1)c1ccc(F)cc1 1780908595 XECCIFGMMLWWTN-XUZZJYLKSA-N 483.305 -0.174 50 20 JBGD C[C@H](NC(=O)c1ccccc1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786986951 YZEZIMCODZFWFE-PWZKMPOXSA-N 479.342 -0.222 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cnnn3)C[C@@H]21 1789222274 MMKZESPHWBCNPC-OWQGQXMQSA-N 473.446 -0.200 50 20 JBGD CN(CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3c[nH]c(=O)cn3)[C@H]2C1)NC(=O)NCc1ccccc1 1789295508 COFFOZOAAALXED-BJLQDIEVSA-N 497.556 -0.291 50 20 JBGD COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)CCl 1792982792 NSDBMENNWFLZRJ-QKDZRIPBSA-N 477.942 -0.368 50 20 JBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1cn2c(nc1=O)SCC2)c1ccc(B(O)O)cc1 1799841176 UWLWYUOZNNOMQS-BCDXTJNWSA-N 468.344 -0.477 50 20 JBGD CCOC(=O)N1CCC(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)CC1 1801986642 HSPPCUJCZGDZSD-OPVJXMOQSA-N 473.335 -0.562 50 20 JBGD Nc1n[nH]c(CCC(=O)NC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)n1 1810146105 AACVTPMGJZWVLV-JXFKEZNVSA-N 463.307 -0.586 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@H]1CCN(C(=O)Cn2ccncc2=O)[C@@H]1c1cccnc1 1810305951 RGBFFPLGYDIWNK-IIBYNOLFSA-N 476.497 -0.343 50 20 JBGD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1nc[nH]c1[N+](=O)[O-])CC2)c1ccc(B(O)O)cc1 1815341311 WKGMYCXGNDTXJQ-NSHDSACASA-N 456.249 -0.006 50 20 JBGD O=C(COc1ccc(O)nn1)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1824557436 INHWMBGYDXAHFM-ZDUSSCGKSA-N 469.288 -0.377 50 20 JBGD O=C([C@@H]1C[C@H](O)CN1)N1CC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCN2C(=O)OCc1ccccc1 1828551078 HZYURENDTSJYPM-KEXUJGGDSA-N 494.976 -0.239 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1cnc3ccccn13)CCO2 1830666149 DIFMMILNBUFZLN-QHCPKHFHSA-N 472.546 -0.294 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(C(=O)O)ncn1)CCO2 1833492941 YXYNIGGLALYBME-RVWJGDDESA-N 499.484 -0.621 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)c1cnoc1C1CC1)CCO2 1834612283 ILPHXQGHJLAJOT-QFIPXVFZSA-N 455.276 -0.384 50 20 JBGD O=C(C#CC1(O)CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835930618 PYMFFDWSAJBKIG-DEOSSOPVSA-N 470.331 -0.865 50 20 JBGD O=C(c1ccc(O)c(F)c1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835931763 BYDLKNGTJDXAHN-QFIPXVFZSA-N 458.251 -0.405 50 20 JBGD O=C(c1cc2cccnn2c1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835932328 ZOWRERZIGBXFBL-HSZRJFAPSA-N 464.287 -0.602 50 20 JBGD O=C(c1ccc2c[nH]nc2c1)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835935346 BJZWUORTRMIABQ-QHCPKHFHSA-N 464.287 -0.374 50 20 JBGD Nc1c(C(=O)N2CCOC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)sc2nccnc12 1835935854 VDPJMWQVMDGBAL-QFIPXVFZSA-N 497.342 -0.663 50 20 JBGD O=C1CCc2ccc(C(=O)N3CCOC[C@]4(C3)CN(C(=O)c3cccc(B(O)O)c3)CCO4)cc21 1835939436 QLUOEUGPWOXKHF-VWLOTQADSA-N 478.310 -0.121 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc3c(c1)NC(=O)CO3)CCO2 1836994373 MQGCVOKUVSUSRR-HSZRJFAPSA-N 489.529 -0.540 50 20 JBGD CCOC(=O)N[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1837209542 SLMBOFVEVVPNKD-RWSFTLGLSA-N 456.265 -0.802 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cc(Cl)cn3)C2)C1 1837457515 HSCVTJOTWLMFNG-HXUWFJFHSA-N 477.909 -0.695 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(-n3cccn3)nc1)CCO2 1838117207 DUTOQJGFFSAYFZ-DEOSSOPVSA-N 491.313 -0.669 50 20 JBGD COC[C@H](NC(C)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)Br)CCO2)C1 1840033882 UFCNEPNYEXIUIM-RVSPLBMKSA-N 450.330 -0.623 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(NC(=O)OC(C)(C)C)CC1)CCO2 1840956535 CPWLSTHNHDOXON-QFIPXVFZSA-N 497.593 -0.127 50 20 JBGD CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(=O)NNC(=O)CNC(=O)c2ccco2)cc1 725901961 CJGRMLSKTSHRAL-UHFFFAOYSA-N 479.515 -0.383 50 20 JBGD Cc1nc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cnccc3C(=O)NN)C2)c(=O)[nH]c1C 1779371186 OUHKKZACQRPUJJ-UZUQRXQVSA-N 483.529 -0.173 50 20 JBGD CN(CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc(O)n[nH]1)CCO2)NC(=O)NCc1ccccc1 1780969491 HGJNRXWNYYWINS-QFIPXVFZSA-N 471.518 -0.095 50 20 JBGD C[C@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCC(=O)NN(C)C)C1)[C@H]1SC(=N)NC1=O 1782211830 ALDGHTXSCAUYHT-NIZXYWGZSA-N 482.607 -0.324 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc4c(c3)CNC4=O)[C@H]2C1 1788444180 OKYQHBAPZKENEP-SNRMKQJTSA-N 457.531 -0.104 50 20 JBGD Cc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cnccc4C(=O)NN)C[C@@H]32)nc2nccn12 1790407671 FMUGCDOIGIFRDT-FNHZYXHNSA-N 478.513 -0.057 50 20 JBGD CC[C@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCS(=O)(=O)CC3)C[C@@H]21 1790958211 MAUFVCXMYHVXMH-VGWMRTNUSA-N 480.425 -0.130 50 20 JBGD CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795741090 IXNRTUGCFZYRHL-UKBAYJJMSA-N 475.351 -0.127 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc3ncccn3n1)C2 1796441891 DJEUZMYTGDGYMN-AHXAHQIOSA-N 465.474 -0.539 50 20 JBGD COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)n1 1796719017 JLSKEYRQIVVAMY-ZSBFGKGUSA-N 470.247 -0.805 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(B(O)O)c1)C2 1796892114 INMMNAAZMSYNNB-ZHPMUERVSA-N 451.292 -0.248 50 20 JBGD O=C1CC[C@H](C(=O)NC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)CN1 1802611981 SAYZCFURSFHJJC-BBTUJRGHSA-N 450.304 -0.393 50 20 JBGD O=C(NC[C@@H]1CCN(C(=O)CCN2CCOCC2)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807371512 WDSDRANQEXHOSF-NZQKXSOJSA-N 466.347 -0.197 50 20 JBGD COc1ccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)cn1 1832579435 QIMFWWSQXNYAPR-DEOSSOPVSA-N 498.540 -0.209 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(CN(C(=O)CC3CCOCC3)CCO2)C1 1835422413 XFXCANMXWVHQEN-QFIPXVFZSA-N 461.519 -0.428 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4c(F)cccc34)C2)C1 1835930777 ZECZADZJOXOTDC-QHCPKHFHSA-N 482.277 -0.234 50 20 JBGD CCOC(=O)c1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)cc1 1835932277 XSAWTRXGWQYKNP-VWLOTQADSA-N 496.325 -0.073 50 20 JBGD O=C(c1cnc2[nH]ncc2c1)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835936831 FRECGQWIQKUTOV-QFIPXVFZSA-N 465.275 -0.979 50 20 JBGD CCc1oncc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837456196 FEYOOCHXUBLYOZ-NRFANRHFSA-N 458.475 -0.381 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(F)n3)C2)C1 1837459387 NSRQCUWCTNCGJX-NRFANRHFSA-N 458.450 -0.397 50 20 JBGD CC(=O)OC[C@H](OC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)Br)C2)C1 1837502349 KGZRYZNUACOCBZ-XLWVJDPXSA-N 479.324 -0.279 50 20 JBGD C[C@@](Cl)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nccnc3C(N)=O)C2)C1 1839153203 DBEYKPSPVNUXDN-MSOLQXFVSA-N 460.318 -0.118 50 20 JBGD O=C(CS(=O)(=O)N1CCCC1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839200340 GCTXMDCDWWAQOE-ZBFHGGJFSA-N 486.360 -0.441 50 20 JBGD CC[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)N3CCOCC3)C2)C1 1839964993 KJOOEDHDZINLCC-LESCRADOSA-N 464.357 -0.733 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn4ccccc4n3)C2)C1 1840184346 HOVDEKUNTAJLRM-QFIPXVFZSA-N 458.519 -0.223 50 20 JBGD C[C@@H](Oc1cccnc1)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1840452296 LKZMUEHMWJCUJE-UZUQRXQVSA-N 469.303 -0.701 50 20 JBGD COCCn1cnc2c1c(=O)n(CC(=O)NNC(=O)C1CCOCC1)c(=O)n2Cc1ccccc1 22874064 MLKWJJBFANHFFZ-UHFFFAOYSA-N 484.513 -0.372 50 20 JBGD CN(CCc1ccccn1)C(=O)CNC(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 727607615 GUJSHSKOYARUDD-UHFFFAOYSA-N 462.532 -0.023 50 20 JBGD CC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cc1 728387730 VAKPWURBIYARDQ-HNNXBMFYSA-N 459.546 -0.128 50 20 JBGD Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)C2)s1 729276245 ZZEUAIWISRHYLW-RYUDHWBXSA-N 452.580 -0.458 50 20 JBGD CCn1cnc2c1c(=O)n(CC(=O)NNC(=O)C1(C(=O)NC3CC3)CC1)c(=O)n2Cc1ccccc1 749386067 ALAYEMGJUMDDKE-UHFFFAOYSA-N 493.524 -0.366 50 20 JBGD COCCCNC(=O)NNC(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1C 920861997 HFAXANHSLCAWPR-UHFFFAOYSA-N 482.563 -0.106 50 20 JBGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 1317819683 DPMMFNJELQTHNY-CHWSQXEVSA-N 471.561 -0.915 50 20 JBGD Cc1c(C(=O)N2CCO[C@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)cn2[nH]cnc(=O)c12 1779032669 QLJRMBVQBFGCAM-QFIPXVFZSA-N 480.485 -0.913 50 20 JBGD COc1ccccc1OCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1792719728 BQLKJVHZBVFJFL-FAQVEIGNSA-N 454.288 -0.343 50 20 JBGD COC(=O)[C@H]1CCC[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)C1 1800960857 KHVPOMHOKVWPIQ-NTODXPRQSA-N 473.530 -0.132 50 20 JBGD CN[C@H](CC(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1)C(=O)O 1807205293 KYNILJCNAHDHNF-ILZDJORESA-N 454.292 -0.856 50 20 JBGD CCOC(=O)N[C@H](O)C(=O)NC[C@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1810097684 YDROMIDTKJXEQO-WIBUTAKZSA-N 485.501 -0.536 50 20 JBGD CC(=O)OC[C@H](OC(C)=O)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cccc(B(O)O)c1)CC2 1819855462 KJFJPQVTSHQISG-RDJZCZTQSA-N 489.315 -0.457 50 20 JBGD C[C@H](Cn1cccn1)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1833203952 UVQVCJRMINNPOQ-UTKZUKDTSA-N 450.540 -0.651 50 20 JBGD C[C@@H](Nc1cnccn1)C(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834798642 SYLIPILHQICOLZ-QGZVFWFLSA-N 480.378 -0.158 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)c3c(F)ccnc3Cl)C2)C1 1835927353 NMFQCEWBUXBWJH-OAQYLSRUSA-N 477.685 -0.062 50 20 JBGD O=C(Cc1cccc([N+](=O)[O-])c1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835934464 UJBXVUMZCZOKMZ-HSZRJFAPSA-N 483.286 -0.413 50 20 JBGD CCc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)nn1C 1835938437 VOIWYMCRQBXWGR-QFIPXVFZSA-N 456.308 -0.954 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)c3cn4c(F)cccc4n3)C2)C1 1835939208 HHPHANLREPPCGS-QHCPKHFHSA-N 482.277 -0.463 50 20 JBGD Cc1cnc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)s1 1837456252 GILHFPPFRXBZBD-FQEVSTJZSA-N 460.516 -0.166 50 20 JBGD Cc1ccnc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)c1 1837457573 JSBYSHMTPVPICN-JOCHJYFZSA-N 454.487 -0.228 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4ncnn4c3)C2)C1 1840184156 AGPAXVUMGWESMJ-NRFANRHFSA-N 459.507 -0.828 50 20 JBGD Cc1cnc2c(C(=O)N3CCOC[C@]4(CN(C(=O)CCC(=O)NN(C)C)CCO4)C3)cnn2c1 1840184634 YNUIDLZWEQMLNV-QFIPXVFZSA-N 473.534 -0.519 50 20 JBGD CN1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)CN(C)NC(=O)NCc4ccccc4)C3)C2)C1 1840571432 TXPQCRJYYUXPSK-DEOSSOPVSA-N 488.589 -0.649 50 20 JBGD CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843014624 HFIMWOHMVRLYGA-KRWDZBQOSA-N 461.324 -0.541 50 20 JBGD C[C@H](NC(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)C(=O)N(C)C 916577537 KDMFPZYXRNNTAI-AWEZNQCLSA-N 455.537 -0.553 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cc1cncnc1)C2 1779371260 YDJKJEYXXOTQMP-XMSQKQJNSA-N 453.503 -0.155 50 20 JBGD CC(C)(C)OC(=O)NCCOCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1781201300 FMPPVXUIOYPOIC-HSZRJFAPSA-N 491.350 -0.649 50 20 JBGD Cc1nn2cc(CC(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)c5ccc(B(O)O)cc5)C[C@@H]43)nc2s1 1784849362 ARFJXHOUUZHYMJ-SNRMKQJTSA-N 483.359 -0.385 50 20 JBGD CS(=O)(=O)N1CCC(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(B(O)O)cc2)CC1 1796188913 AAPOMEDPAHKOIK-REPLKXPHSA-N 463.365 -0.710 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1ccc(N2CCOCC2)cc1 1796490037 VAOPMXAENDRNCI-JHDGKUDLSA-N 479.342 -0.280 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1ccccc1C(=O)OCCO 1798565706 UMOMAMMBWTZODT-UPHUGPLXSA-N 482.298 -0.968 50 20 JBGD COC(=O)[C@@H]1CCC[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(=O)NN(C)C)C3)C1 1800966872 KAFXGZYBYVJFPN-PHSQPZKOSA-N 452.552 -0.072 50 20 JBGD CCS(=O)(=O)N[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807364423 IGXYJENZXIDJOZ-BPAFIMBUSA-N 488.375 -0.591 50 20 JBGD O=C(NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)c1cnc(O)nc1O 1808277924 GLYVFCYRBFALRK-CRAIPNDOSA-N 463.259 -0.404 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)c2nccnc2C(N)=O)[C@@H]1c1cccnc1 1813073166 JOGSVPDMABLCRK-MGPUTAFESA-N 468.518 -0.337 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1ccc(C#N)cc1)CCO2 1829907228 BHIAXZYMKBVGDG-QHCPKHFHSA-N 457.531 -0.070 50 20 JBGD COC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830728847 YSDIZTLUSKGMGM-AUSJPIAWSA-N 479.958 -0.418 50 20 JBGD CCCNC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1831205952 YOSVXKAXGSPVPZ-OAQYLSRUSA-N 455.556 -0.878 50 20 JBGD CO[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1832004113 PLIQGJBMWYGWQM-FAPUVCABSA-N 493.985 -0.029 50 20 JBGD CN(C)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1833661082 LWFSFWJMXZWSJJ-QHCPKHFHSA-N 468.319 -0.789 50 20 JBGD CCC[C@H](NC(C)=O)C(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834800640 UNUSSGXVDDZNTQ-QFIPXVFZSA-N 472.395 -0.144 50 20 JBGD COCc1oncc1C(=O)NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1835233167 CRPBRIMIVXCNTK-UHFFFAOYSA-N 470.335 0.000 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)[C@@H](O)CCl)CC2)CC1)c1cc2n(n1)CCCNC2=O 1835516397 XMAPMHIEAGGPRT-SFHVURJKSA-N 466.970 -0.199 50 20 JBGD C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1)N1C[C@H]2C[C@H]2C1 1837287904 CGXKTSCVMQJRFC-QSNWEANLSA-N 451.568 -0.844 50 20 JBGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)CS(C)(=O)=O)C2)C1 1840030639 RBTJRQCPJHSWBD-WWGRRREGSA-N 455.371 -0.093 50 20 JBGD CC(C)n1nc(C(=O)N2CCOC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)cc1C(=O)O 1840183489 HNDVTCQDDNOPPS-QFIPXVFZSA-N 494.549 -0.395 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4cncn4c3)C2)C1 1840184567 VPULBJPECQDZAE-JOCHJYFZSA-N 458.519 -0.223 50 20 JBGD C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1)n1ccccc1=O 1840185654 RUMRAOHEKNKESW-VGSWGCGISA-N 463.535 -0.761 50 20 JBGD C[Si](C)(C)OCC(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=O)C(F)(F)F)CCO2)C1 1840203377 YEMRESWMJBHETC-MRXNPFEDSA-N 455.506 -0.027 50 20 JBGD Cc1nccn1[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1840492415 LARPQNRNEZLCNC-IVZQSRNASA-N 471.518 -0.479 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](Cc1ccc(B(O)O)cc1)C(=O)N1CCCC12CN(C(=O)[C@@H]1C=CCN1)C2 1843428576 BRGNNDQEKVGWHL-PMACEKPBSA-N 498.389 -0.466 50 20 JBGD O=C(CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21)NNC(=O)CN1CCCC1=O 789858122 PDTGRORXZUJTPY-UHFFFAOYSA-N 479.515 -0.461 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCn1ccnn1)C2 1779374707 DKGKAJZDURAWOW-DYESRHJHSA-N 456.507 -0.506 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnncc2C(=O)O)C1 1779695807 MTGUGHVWLFYGMV-VGOFRKELSA-N 483.485 -0.385 50 20 JBGD O=C(c1ccc(-n2c(O)nnc2O)cc1)N1CC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1780197607 QHBIQHZUEHPVPN-IFXJQAMLSA-N 451.867 -0.278 50 20 JBGD CC[C@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN(CCO)CCO)C[C@@H]21 1790964355 NDMXVMFQEXSBJW-VGWMRTNUSA-N 450.374 -0.574 50 20 JBGD O=C(NC[C@@H]1CCN(C(=O)CN2CCCC2=O)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807362786 JOCLCFBIWNMCTL-PGRDOPGGSA-N 450.304 -0.297 50 20 JBGD O=C(NC[C@@H]1CCN(C(=O)CSc2nc[nH]n2)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807363801 BSAZZCWCCWOSLC-QFBILLFUSA-N 466.332 -0.009 50 20 JBGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)[C@H]1CCCS1(=O)=O)CC2)c1ccc(B(O)O)cc1 1815348124 DYXYLUPAOSUWDL-CZUORRHYSA-N 463.346 -0.374 50 20 JBGD NC(=O)c1nccnc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1 1817477051 XLDPZZUEXOZJCV-HNNXBMFYSA-N 463.263 -0.402 50 20 JBGD CN1CCN(C2(C(=O)Nc3nc4c(s3)C[C@H](NC(=O)c3cccc(B(O)O)c3)CC4)CC2)CC1 1822714554 NXJAEALXLQGJKR-QGZVFWFLSA-N 483.403 -0.171 50 20 JBGD CS(=O)(=O)c1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)c1 1830178197 CQUXEVCCKXQWGP-LPHOPBHVSA-N 460.936 -0.240 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1)c1cnc2ncccn12 1835386901 SAXBXXZTJDLCSC-UHFFFAOYSA-N 476.346 -0.092 50 20 JBGD O=C(C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2)c1ccc(Cl)cc1 1835926708 ZPVPKJIGSLWOLS-HSZRJFAPSA-N 486.717 -0.027 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)c3nccc4nc[nH]c34)C2)C1 1835935777 QQECLIRUGIBBCB-JOCHJYFZSA-N 465.275 -0.979 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)c3[nH]cc4c3CCC4)C2)C1 1835938406 UKHXLGHLGBINPM-QHCPKHFHSA-N 453.304 -0.433 50 20 JBGD Cc1nc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)cs1 1837457019 SLKYCFZRRIRLFZ-OAQYLSRUSA-N 474.543 -0.237 50 20 JBGD Cn1cc2cc(C(=O)N3CCO[C@]4(COCCN(C(=O)c5ccc(B(O)O)cc5)C4)C3)ccc2n1 1839504815 UMXVTFGCIUEOIR-DEOSSOPVSA-N 478.314 -0.363 50 20 JBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](COC(C)=O)OC(C)=O)C2)C1 1840153165 GKTKZFPMKMEKAZ-BXWFABGCSA-N 464.899 -0.809 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(F)cn3)C2)C1 1840184071 PXRUNKCOPVLFJP-OAQYLSRUSA-N 451.499 -0.407 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCCC12CN(C(=O)c1nc3c(=O)[nH]c4ccccc4n3n1)C2 1846384965 FOBPIZZRTHWIBX-UHFFFAOYSA-N 466.502 -0.239 50 20 JBGD CC(C)(C)OC(=O)N1CCN(CC(=O)N2CCCC23CN(C(=O)c2cccc(B(O)O)c2)C3)CC1 1846968757 APQUQWKJIOLZMU-UHFFFAOYSA-N 486.378 -0.264 50 20 JBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NC[C@H]3CN4CCC[C@@H]4CO3)nc2)CC1 729619734 STPQFBWMTPJHKR-CVEARBPZSA-N 453.569 -0.493 50 20 JBGD CCNC(=O)N[C@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cnccc1C(=O)NN)C2 1779323836 SDBGUFJWJHXNBA-UZSYQUHHSA-N 475.550 -0.480 50 20 JBGD COCCOCCOCCOCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](Cl)COC)CCO2 1783687634 WDAVQTVEAOMWPS-FXAWDEMLSA-N 466.959 -0.234 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)[C@@H]1COc2ccccc2O1 1785038759 MFUHJVIWCHQNBN-DBXVSBKESA-N 466.299 -0.200 50 20 JBGD CN(CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C[C@H]1NC(=O)NC1=O)NC(=O)NCc1ccccc1 1794209971 HIAMQHWSCXVECK-XMTFNYHQSA-N 485.545 -0.431 50 20 JBGD CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795736732 HFFANAYFZHHRQL-PIKOESSRSA-N 487.362 -0.031 50 20 JBGD COC(=O)[C@H]1CCC[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)C1 1795736749 ISUVBBJPRWHTDX-CBNQQXHVSA-N 458.320 -0.451 50 20 JBGD COc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)cc1F 1795740753 KRPNBMWRUAAWJD-FAQVEIGNSA-N 456.279 -0.040 50 20 JBGD COC(=O)[C@@H]1CCC[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)C1 1795741089 YZTHVKHKJDWSHZ-YFYQMDMQSA-N 458.320 -0.451 50 20 JBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(N3CCOCC3)cn1)C2 1801009475 LJHLFUUCPYXRLV-FAQVEIGNSA-N 474.562 -0.506 50 20 JBGD Nc1c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)sc2nccnc12 1830723082 KZRLFPDDZBNYKD-BBATYDOGSA-N 455.924 -0.057 50 20 JBGD COCC(=O)N1CCO[C@]2(COCCN(C(=O)CN(C)NC(=O)NCc3ccccc3)C2)C1 1834974850 PGEDGEFYHPJBEP-QFIPXVFZSA-N 463.535 -0.565 50 20 JBGD O=C(CNc1ccc(F)cc1)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835935710 NGPRYHGFUYFUTI-QHCPKHFHSA-N 471.294 -0.312 50 20 JBGD NC(=O)c1nccnc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839200546 MJUUEEOONXMFBT-BLLLJJGKSA-N 460.260 -0.664 50 20 JBGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4n(n3)CCCNC4=O)C2)C1 1840033753 PBSNRIJDJQLSEQ-ORAYPTAESA-N 484.351 -0.130 50 20 JBGD CCOC(=O)C1CCN(C(=O)CN(C)C(=O)NNC(=O)CNC(=O)c2cccs2)CC1 728952445 YMFONAZHWDBYBD-UHFFFAOYSA-N 453.521 -0.048 50 20 JBGD COc1ccccc1OCC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 913624032 ZYQUVFONAXFGQW-UHFFFAOYSA-N 462.484 -0.344 50 20 JBGD Cc1cc2nnc(C(=O)N3CC[C@@]4(CN(C(=O)c5cccc(B(O)O)c5)CCO4)C3)c(C)n2n1 1777781432 SYHZZUUSIQTVQW-QFIPXVFZSA-N 464.291 -0.822 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](N)Cc2cscn2)C1 1777968452 WRIFKLSWPLWESD-CSODHUTKSA-N 466.608 -0.100 50 20 JBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2)c1cnc2ncccn12 1778650068 GPPJEZUOWJXMDI-AUSIDOKSSA-N 463.303 -0.150 50 20 JBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2)c1cc2cccnn2n1 1779992305 DENGCBNWTKGNIC-NFBKMPQASA-N 463.303 -0.150 50 20 JBGD COC(=O)c1ccc(C(=O)N2CC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)c([N+](=O)[O-])c1 1782090147 PELBAKRQCOOONW-HSZRJFAPSA-N 497.269 -0.182 50 20 JBGD COC(=O)[C@@H]1CC=CC[C@H]1C(=O)N1CCO[C@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783938087 SPOXQDNDXRZZDR-YVHKJVDXSA-N 450.536 -0.055 50 20 JBGD CCS(=O)(=O)N[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](F)Br)C[C@@H]21 1784445328 IAMFYRRIQUURNA-VLJOUNFMSA-N 458.350 -0.016 50 20 JBGD Cc1nn2cc(CC(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)c5cccc(B(O)O)c5)C[C@@H]43)nc2s1 1784849558 KHCJCUXEWRZDLW-SNRMKQJTSA-N 483.359 -0.385 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3cnc4ccccn34)C[C@@H]21)c1ccc(B(O)O)cc1 1786978748 QHIXAPRKXIPIGH-YYWHXJBOSA-N 462.315 -0.150 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1cccn2c(O)nnc12 1787386594 JYELGULRIRPQEH-WBAXXEDZSA-N 465.275 -0.978 50 20 JBGD C[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1)N1CSCSC1 1795734177 HJBHFLBZEBEBMT-SCNOPHJPSA-N 465.406 -0.387 50 20 JBGD CCOC(=O)[C@@H]1CCC[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)C1 1795737830 XZADIGACJPRCEO-XQPJFTJZSA-N 472.347 -0.061 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1C(=O)CSC1=S)C2 1796444349 MVRRZPYICRYELF-ZPLRYINRSA-N 492.583 -0.430 50 20 JBGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C 1802152074 QVSHXRNOTWAHNJ-RGHULWKBSA-N 476.958 -0.402 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807361467 QCTPTABBNLBPPI-UWJYYQICSA-N 488.313 -0.607 50 20 JBGD O=C(O)CSCC(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807366923 IIIVOVPPCRHKDG-OXJNMPFZSA-N 457.317 -0.101 50 20 JBGD Nc1n[nH]c(CCC(=O)NC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)n1 1810146444 DFLZFFMYIOUQNC-OXJNMPFZSA-N 463.307 -0.586 50 20 JBGD CN(C)NC(=O)CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1822414810 ZDDLRVKTBTVLJP-QGZVFWFLSA-N 456.312 -0.232 50 20 JBGD C[C@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)CCN3C(=O)C=CC3=O)CCO2)C1 1832015710 WJYARWCMJNUVGU-KUHUBIRLSA-N 472.336 -0.211 50 20 JBGD CC(C)c1nc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)no1 1832787738 MSHVTIYRRCEDHP-QFIPXVFZSA-N 472.307 -0.815 50 20 JBGD O=C(/C=C/c1cccnc1)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1833098939 CUVPQAHMGRWYCZ-UXUAMCOBSA-N 451.288 -0.455 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(OC(F)F)cn1)CCO2 1833639709 ZGKSQVRQHINLKO-JOCHJYFZSA-N 491.256 -0.253 50 20 JBGD CC(=O)N(C)CCC(=O)NC1CCN(C2CCN(C(=O)c3cnccc3C(=O)NN)CC2)CC1 1833669967 FSWVYZKSQGYHGN-UHFFFAOYSA-N 473.578 -0.261 50 20 JBGD Cc1nc(C)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)s1 1834072174 BSXLUIKTQANWNM-OAQYLSRUSA-N 459.333 -0.176 50 20 JBGD O=C(c1ccc(-n2cccn2)cc1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835932283 XWNRYZPYOHGEEQ-VWLOTQADSA-N 490.325 -0.064 50 20 JBGD O=C(COC1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835933685 AIMKIXXLFZXPFY-QHCPKHFHSA-N 460.336 -0.214 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)ccc3O)C2)C1 1837459334 CZOGTKXOEZWPKU-JOCHJYFZSA-N 471.470 -0.520 50 20 JBGD C[Si](C)(C)OCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4n(n3)CCNC4=O)C2)C1 1837711925 AFTVXUYGZNETCO-HXUWFJFHSA-N 465.583 -0.452 50 20 JBGD CN1CCN(CC(=O)N2CCC(OC3CCN(C(=O)c4cnccc4C(=O)NN)CC3)CC2)CC1 1838285180 BUUKPVIRTZILGQ-UHFFFAOYSA-N 487.605 -0.455 50 20 JBGD COc1ccccc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1838875878 QKFFNMXOELNEMV-HSZRJFAPSA-N 454.288 -0.241 50 20 JBGD CC[C@H](NC)C(=O)N1CCOC[C@@]2(CN(C(=O)CN(C)NC(=O)NCc3ccccc3)CCO2)C1 1839054372 WAPUSXKQBGMHRP-GBXCKJPGSA-N 490.605 -0.213 50 20 JBGD O=C(c1cc(=O)nc2cccnn12)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839200101 DYYJKUKYQGDIDC-CRAIPNDOSA-N 484.282 -0.150 50 20 JBGD COC(=O)Nc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)c1 1839245104 XRLZEKIHGANMDD-DEOSSOPVSA-N 497.313 -0.072 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)Cc1ccccc1)CCO2 1839957812 ICBHFORZWOMNDX-XUZZJYLKSA-N 468.315 -0.960 50 20 JBGD C[C@H]1CCc2c(C(=O)N3CCOC[C@]4(CN(C(=O)CCC(=O)NN(C)C)CCO4)C3)n[nH]c21 1840184638 YYMCKWQYTAYIBT-NYHFZMIOSA-N 462.551 -0.098 50 20 JBGD C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1)c1ccccn1 1840501618 JRNREDYKWMHMLL-WAIKUNEKSA-N 468.514 -0.046 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CCCC12CN(C(=O)CN(C)C(=O)C(=O)O)C2 1844693180 GFRPPDMNNAWTIA-UHFFFAOYSA-N 462.415 -0.120 50 20 JBGD Cc1cn(CC(=O)N2CC3(CCCN3C(=O)CN(C)NC(=O)NCc3ccccc3)C2)c(=O)nc1O 1845039653 HSVJNJWCCZRCBP-UHFFFAOYSA-N 497.556 -0.193 50 20 JBGD CN(C)S(=O)(=O)c1ccc(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc1Br 729172195 SGBZLQWXUZJRHD-SNVBAGLBSA-N 468.351 -0.105 50 20 JBGD O=C(COC(=O)CCNS(=O)(=O)c1ccccc1)NNC(=O)[C@@H]1COc2ccccc2O1 849199501 UOARGFMALUONEA-KRWDZBQOSA-N 463.468 -0.114 50 20 JBGD CCCn1nc(C(=O)NNC(=O)CCc2nc3c(O)nc(=O)n(C)c3[nH]2)c2ccccc2c1=O 920253751 GVUOXCSLLFPVSX-UHFFFAOYSA-N 466.458 -0.124 50 20 JBGD COc1ccc([N+](=O)[O-])c(C(=O)N2CCO[C@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)n1 1779030840 XXZQPPDKJUUXMR-NRFANRHFSA-N 485.457 -0.246 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)c3cnc4[nH]ncc4c3)CCO2)C1 1779032557 TXELBNFLJIIVSG-NRFANRHFSA-N 450.459 -0.286 50 20 JBGD CN(CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CCC(=O)N1C)CCO2)NC(=O)NCc1ccccc1 1780967916 CYVSDAJDDUQHNK-CYFREDJKSA-N 486.573 -0.217 50 20 JBGD CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N1CC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1781338521 DJNXHALPSZGJAX-MBSDFSHPSA-N 491.350 -0.914 50 20 JBGD C[C@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCC(=O)NN(C)C)C1)N1CCN(C)CC1 1782212009 BUYWBVBZXTXIFY-DNVFCKCGSA-N 466.627 -0.491 50 20 JBGD O=C(NCCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2)c1ccccc1 1785327185 DIQHRAPVHYMDAY-XMMPIXPASA-N 465.315 -0.370 50 20 JBGD C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786981973 IVKIRRHJBAHRNQ-WJMWBRGCSA-N 499.373 -0.124 50 20 JBGD CC(=O)Nc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)cc1O 1786982015 XSWXMCJVGNFWJT-JLMWRMLUSA-N 481.314 -0.063 50 20 JBGD COC(=O)[C@@H]1CCC[C@@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)C1 1786986434 AUKMGNVGNPFWIU-SACAXFFCSA-N 472.347 -0.061 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cn2ncccc2n1 1797040677 MJGLKMCVYLBIJP-IVWMJMPLSA-N 450.459 -0.755 50 20 JBGD CN(CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cn[nH]c1)C2)NC(=O)NCc1ccccc1 1799097218 JLUYVJNGUZWDCO-OPVJXMOQSA-N 455.519 -0.041 50 20 JBGD COC(=O)[C@@H]1CCC[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)C1 1800964273 KZKVYZBJTNLLQQ-YFYQMDMQSA-N 458.320 -0.451 50 20 JBGD CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Br)C2 1801287185 RDHNFXXSKIBQRB-OBRUSBNWSA-N 460.304 -0.263 50 20 JBGD CN1CCN(C2(C(=O)N3CCC4(CCCN(C(=O)c5ccc(B(O)O)cc5)C4)CC3)CC2)CC1 1809969572 KHGCZAIVNBMVQQ-UHFFFAOYSA-N 468.407 -0.009 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)c1ccco1)CCO2 1829821254 DPYXWOLLMRMLNQ-LUIQLVGOSA-N 473.486 -0.097 50 20 JBGD N#Cc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)cc1 1829902434 RFJQPQBKQGAMJF-XMMPIXPASA-N 463.299 -0.449 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCC(N2CCC(NC(=O)[C@H](O)CCl)CC2)CC1 1833312462 NMIGJDUOWSCNON-QGZVFWFLSA-N 452.943 -0.530 50 20 JBGD O=C(CC12CCCN1CCC2)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835931067 FCXVPVNFPKXMPF-XMMPIXPASA-N 471.363 -0.545 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CC(=O)N(C4CCCC4)C3)C2)C1 1835934319 VJSPKTUTOCEJAD-KBMIEXCESA-N 499.373 -0.773 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)c1c[nH]c3nccc-3c1)CCO2 1836443172 UVGZQUZAQAPFPD-QHCPKHFHSA-N 464.287 -0.422 50 20 JBGD Cc1noc(C)c1CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnccc1C(=O)NN)CCO2 1837456443 MWMUTWNYWWZYLA-JOCHJYFZSA-N 472.502 -0.397 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4nonc4c3)C2)C1 1837459179 LIDDNOLMSAZRGN-QFIPXVFZSA-N 481.469 -0.395 50 20 JBGD CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)C1 1840218971 WBIKCRZFGPULSS-GQWLDOHISA-N 491.969 -0.586 50 20 JBGD Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)CCC(=O)NNc3nnc(C)c(=O)[nH]3)CC2)c1 11335825 YCEMRYQNWMEFOL-UHFFFAOYSA-N 477.547 -0.153 50 20 JBGD Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)CCC(=O)NNC(=O)c3cnn[nH]3)CC2)c1 729455766 YLIIPPWFOVAWKU-UHFFFAOYSA-N 463.520 -0.504 50 20 JBGD CCn1cnc2c1c(=O)n(CC(=O)NNC(=O)CCNC(=O)OC)c(=O)n2Cc1ccccc1 730770563 ANLIVWZXBWPDGP-UHFFFAOYSA-N 471.474 -0.679 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1C[C@H](O)CN1)CCO2 1780098268 HHGKUSWYJQRIKQ-WJPUGNRLSA-N 462.459 -0.314 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1nc3ccccc3n(C)c1=O)CCO2 1783935651 XCVNDYYIDSLKTR-QHCPKHFHSA-N 470.530 -0.250 50 20 JBGD COc1cncc(CCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)c1 1785265644 WQEPQDFGOPGDFT-NYVOZVTQSA-N 467.331 -0.004 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)n3cnnn3)[C@H]2C1 1791685742 ZGOCWKCEOCJSJA-RPRPFZMQSA-N 457.495 -0.652 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncn3nc(N4CCOCC4)ccc13)C2)[C@H](O)CCl 1792977693 ZZLFORHEZAZZLO-CXHZTBPHSA-N 478.937 -0.631 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C(=O)Nc2ccccc2)CC1 1793402018 SSVFGFXOKSXOLV-RMFSNUHRSA-N 477.326 -0.012 50 20 JBGD COc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)c(OC)c1 1795739714 FGHMIEAXFQTSDW-VPTLXERWSA-N 454.288 -0.099 50 20 JBGD CCOc1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)c1O 1795739904 OILRSOQWQDTAHB-CWPLJXCYSA-N 454.288 -0.012 50 20 JBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3nonc3c1)C2 1797750492 BTJJALUAJWDJNI-IVWMJMPLSA-N 451.443 -0.262 50 20 JBGD O=C(CN1CCCC1=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1806920231 FSRGCTMJEUVRDG-AVRDEDQJSA-N 450.304 -0.297 50 20 JBGD O=C(C(O)O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@@H](O)CCl)C2)C1 1828521165 VUZBRUMTHLQFGC-YWZLYKJASA-N 455.895 -0.651 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(=O)n3[nH]cnc3n2)CC1 1828926885 UCZZXPITGJYWSV-GOSISDBHSA-N 493.528 -0.037 50 20 JBGD CN(C)c1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)nc1 1833646845 WTZMUMSTTWBDPP-HSZRJFAPSA-N 468.319 -0.789 50 20 JBGD C=CCCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)c(O)n1 1833699274 XMCVGXCMONURNL-VWLOTQADSA-N 495.341 -0.031 50 20 JBGD CCc1cnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)s1 1837720258 NHXVKQABFUGNON-OAQYLSRUSA-N 459.333 -0.231 50 20 JBGD COC[C@H](NC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)CBr)C2)C1 1837727443 KUHWEGOWYHSGLX-DHSIGJKJSA-N 464.357 -0.375 50 20 JBGD Cc1nc(F)ccc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1838263405 HQKJOWIZGVQPHC-JOCHJYFZSA-N 457.267 -0.407 50 20 JBGD Cn1c(=O)c2c(ncn2CC(=O)N2CCCC23CN(C(=O)CCBr)C3)n(C)c1=O 1841984420 UKUYHCYFQBMEFR-UHFFFAOYSA-N 467.324 -0.578 50 20 JBGD C[C@H](NS(C)(=O)=O)C(=O)NN=C1C(=O)N(CC(=O)N(C)C)c2ccc(Br)cc21 728435329 YIVAQFKDKFWYFC-VIFPVBQESA-N 474.337 -0.358 50 20 JBGD O=C(NNS(=O)(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1)[C@@H]1CCS(=O)(=O)C1 906467683 ZSXBOJGPMIQARG-CYBMUJFWSA-N 465.575 -0.395 50 20 JBGD C[C@H]1CN(CCC(=O)NNC(=O)CNS(=O)(=O)c2ccc3c(c2)OCCCO3)C[C@@H](C)O1 912918898 GINICMRPQMNZIR-GASCZTMLSA-N 470.548 -0.227 50 20 JBGD CCS(=O)(=O)N[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnccc2C(=O)NN)C1 1779371531 XOWCVIJHZQEBCC-AVBTWRTFSA-N 496.590 -0.860 50 20 JBGD CC(=O)N/C(=C\c1ccco1)C(=O)N1CC[C@]2(C1)CN(C(=O)c1cnccc1C(=O)NN)CCO2 1781865636 SOZIISUEWDLDFA-NSYTUHEQSA-N 482.497 -0.101 50 20 JBGD CN1CCCn2nc(C(=O)N3CCO[C@@]4(CCN(C(=O)CCC(=O)NN(C)C)C4)C3)cc2C1 1783937049 NXJWDFGEJKFMQB-JOCHJYFZSA-N 461.567 -0.465 50 20 JBGD CS(=O)(=O)c1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)nc1 1786980101 JHKKIVHKNPGYHA-QSFXBCCZSA-N 487.343 -0.928 50 20 JBGD Cn1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)c(C(F)F)n1 1787735660 VBDYUTZQVCFKGT-QRTARXTBSA-N 462.262 -0.055 50 20 JBGD CN(CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](CCl)NC(=O)OC(C)(C)C)C(=O)C(=O)O 1793879079 GOGYIHKWIJJZOT-XFMPKHEZSA-N 490.941 -0.749 50 20 JBGD CN[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc([N+](=O)[O-])ccc1OC(C)=O)C2)C(=O)O 1795643416 KUGJWOMNBSHHJN-UESRRSCYSA-N 478.458 -0.214 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncn(-c3cccc(F)c3)n1)C2)c1cccc(B(O)O)c1 1795737196 BZUDSZHKALYILD-CWPLJXCYSA-N 479.277 -0.397 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1ON=C(c3ccccc3)O1)C2)c1cccc(B(O)O)c1 1795738758 DYEZWBXELUXJTB-PDPLOHQNSA-N 465.271 -0.696 50 20 JBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C1\C(=O)Nc3ccccc31)C2 1797751512 BWIUZRDARBLTQV-LVSFQLNMSA-N 476.493 -0.076 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(=O)nc3cccnn13)C2 1798440010 SKEMTVKGBWHQAV-BTTYYORXSA-N 462.470 -0.346 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)[C@H]1CCc2ccccc2O1 1800948040 IDXIHVBSEAPOJR-GMQQQROESA-N 450.300 -0.037 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H](CNC(=O)CN2CC(=O)NC2=O)[C@H]1c1cccnc1 1804187356 ONDBEYKTLQJJGK-KFTGWRNYSA-N 494.512 -0.227 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)CNCP(=O)(O)O)[C@@H]1c1cccnc1 1807027879 DJPVUPGQYBLGCA-KXBFYZLASA-N 470.467 -0.815 50 20 JBGD CCS(=O)(=O)N[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807359246 GJHMGAYBEVGBDH-XFQXTVEOSA-N 488.375 -0.591 50 20 JBGD CCOC(=O)N[C@H](O)C(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807361099 OUBMTUGMWZFFIG-IMFGXOCKSA-N 470.291 -0.855 50 20 JBGD CC[C@H](NC(N)=O)C(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807365029 VFZGPXUWMWUCEY-WDSOQIARSA-N 453.308 -0.472 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@H]1CCN(C(=O)Cn2cnnn2)[C@@H]1c1cccnc1 1810302201 IADRHJGZTVHQHA-RDTXWAMCSA-N 450.463 -0.914 50 20 JBGD CN1CCC(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)CC1 1829890618 KFQUOIXODCEBDE-JOCHJYFZSA-N 460.535 -0.903 50 20 JBGD Cc1c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)cn2[nH]cnc(=O)c12 1830730641 BSCCVIWXFAUQJJ-KUHUBIRLSA-N 453.883 -0.999 50 20 JBGD CCC(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C2)C1 1831181538 MLPPFNRDCGWCQD-YREFKLKQSA-N 476.534 -0.509 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)c3cc4n(n3)CCCC4)C2)C1 1835936882 HSLZITWRENCLRF-HSZRJFAPSA-N 468.319 -0.717 50 20 JBGD O=C(Cn1cc([N+](=O)[O-])cn1)N1CCC(OC2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1837136186 JGFRXURCCJPMHF-UHFFFAOYSA-N 485.306 -0.217 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(=O)oc3)C2)C1 1837457063 UPMZTYHANVDYAA-OAQYLSRUSA-N 457.443 -0.978 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cccnc3)C2)C1 1837457770 QPFVGKBEMLHLTO-HSZRJFAPSA-N 468.514 -0.217 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(-n3cccn3)nc1)CCO2 1838117214 DUTOQJGFFSAYFZ-XMMPIXPASA-N 491.313 -0.669 50 20 JBGD CC[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1839965084 MKCWVYLVDGLOML-KXBFYZLASA-N 484.351 -0.071 50 20 JBGD CC(C)(C)OC(=O)N[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1)C(C)(C)O 1840916724 ZSVIXGHDCOTSNR-PDSXEYIOSA-N 493.985 -0.293 50 20 JBGD CN(CC(=O)N1CC2(CCCN2C(=O)[C@@H](O)N2CCOCC2)C1)NC(=O)NCc1ccccc1 1844296988 NPOVADAGIAWQHH-HXUWFJFHSA-N 474.562 -0.813 50 20 JBGD Cc1nc(S(=O)(=O)NCC(=O)NNC(=O)c2ccc(CSc3nncn3C)cc2)cn1C 725882196 XNHVYIGZOASOSZ-UHFFFAOYSA-N 478.560 -0.111 50 20 JBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)CN(C)[C@@H]3CCS(=O)(=O)C3)cc2)CC1 728214938 VDKSPXCGALLPOU-MRXNPFEDSA-N 459.594 -0.815 50 20 JBGD NS(=O)(=O)c1ccc(N2CCN(C(=O)NNC(=O)C3CCN(c4ncccn4)CC3)CC2)cc1 728960420 YKQLRMYDHZSHSM-UHFFFAOYSA-N 488.574 -0.097 50 20 JBGD CC(C)NS(=O)(=O)c1ccc(NNC(=O)NCCS(=O)(=O)N2CCOCC2)nc1 748106275 MRQOXBAVBJRKFC-UHFFFAOYSA-N 450.543 -0.944 50 20 JBGD C[C@H]1CN(CCC(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)C[C@H](C)O1 912920836 DZLSGNYPLWYKSD-HOTGVXAUSA-N 454.549 -0.032 50 20 JBGD COc1ccc(C(=O)NNC(=O)CCN2C[C@H](C)O[C@@H](C)C2)cc1S(=O)(=O)N1CCOCC1 912924643 DWKYOVYWZJCQPM-HOTGVXAUSA-N 484.575 -0.024 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1cnc(OCF)cn1 1785685040 BFUQYAKXRKHCGV-ZVZYQTTQSA-N 458.255 -0.631 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](F)Br)[C@H]2C1 1789926174 PTSGCDWQVXBMPW-HBEIAFGSSA-N 458.288 -0.031 50 20 JBGD CC(=O)N/C(=C\c1ccco1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1790178391 BKOGZNQPABMGEL-OBKPZPLISA-N 481.314 -0.270 50 20 JBGD C[C@@H](NC(=O)c1ccc(F)cc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795735313 YPJUVTSBSNGXEJ-WMIGDMCZSA-N 483.305 -0.473 50 20 JBGD COc1ccc(OCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)cc1 1795737636 FBDBAXBPRDKUBL-FAQVEIGNSA-N 454.288 -0.343 50 20 JBGD COc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)ccc1[N+](=O)[O-] 1801837283 DVZWSVUYDFHGOE-CWPLJXCYSA-N 469.259 -0.200 50 20 JBGD C[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2 1802116540 PCXVXOAYONBDDF-JWVYWZTKSA-N 459.547 -0.233 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1CCN(C(=O)CN2CCOC2=O)[C@@H]1c1cccnc1 1810295000 PEGLKMOLPRBKRL-HNAYVOBHSA-N 467.486 -0.148 50 20 JBGD CCS(=O)(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)Br)C2)C1 1831329713 QTTRTANDIWLCFZ-ZENOOKHLSA-N 470.386 -0.446 50 20 JBGD CC(C)(C)OC(=O)N1CCOC[C@@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1832004916 RNHSUEKBSSVSJO-VWKPWSFCSA-N 491.969 -0.322 50 20 JBGD O=C(CCBr)N1CCO[C@]2(COCCN(C(=O)c3nc4ncccn4n3)C2)C1 1834821248 DPBUDMNAMAHXSG-QGZVFWFLSA-N 453.297 -0.021 50 20 JBGD O=C(COc1ccc(O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835926618 VELHAWGVASKECD-HSZRJFAPSA-N 470.287 -0.779 50 20 JBGD CCc1ncccc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835935047 CZGYKUOFZRBHDW-HSZRJFAPSA-N 453.304 -0.292 50 20 JBGD O=C(Cc1ccc(F)cc1)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835935686 MHSOEVOLPHUXPV-QHCPKHFHSA-N 456.279 -0.182 50 20 JBGD CN(C)c1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)cn1 1838192764 KGQXRJMEIAMPFA-HSZRJFAPSA-N 468.319 -0.789 50 20 JBGD C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1)N1CCN(C)CC1 1839103202 ITRAPPDAUNRHED-RKVPGOIHSA-N 465.364 -0.231 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(O)ccc1O)CCO2 1839447003 CZPJVWHEEWUAOI-JOCHJYFZSA-N 456.260 -0.839 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CCOC[C@]2(CN(C(=O)CCC(N)=O)CCO2)C1 1839861891 MODJUKNAVXRENS-XOBRGWDASA-N 476.958 -0.160 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)O)CCO2 1840025840 QYYNXOZJYGMEPQ-XCLFUZPHSA-N 451.432 -0.029 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1C[C@H]3CC[C@@H]1O3)CCO2 1840050036 XZRJAXRMKSFHPJ-PCLSUMPVSA-N 459.503 -0.677 50 20 JBGD CN(CC(=O)N1CCCC12CN(C(=O)CCN1C(=O)C=CC1=O)C2)NC(=O)NCc1ccccc1 1845038329 QEESTIGHYDFVFQ-UHFFFAOYSA-N 482.541 -0.149 50 20 JBGD Cn1cc(S(N)(=O)=O)cc1C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 27229163 VQLOOIPUZKDIKV-UHFFFAOYSA-N 455.518 -0.468 50 20 JBGD CCn1cnc2c1c(=O)n(CC(=O)NNC(=O)CCN1CCOCC1)c(=O)n2Cc1ccccc1 768971658 YHHLNCNZJHIPAB-UHFFFAOYSA-N 483.529 -0.702 50 20 JBGD COC(=O)c1c(S(=O)(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)n[nH]c1C 912520497 BBXLGEGNRAKPCF-UHFFFAOYSA-N 471.517 -0.087 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](N)Cc1cccnc1)CCO2 1779030077 GUMFHHYALFDYOU-AVRDEDQJSA-N 453.503 -0.906 50 20 JBGD COC[C@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1CCN(C(C)=O)CC1)C2 1782175010 ADNFVUWQUJASOV-WAOWUJCRSA-N 458.987 -0.082 50 20 JBGD Cc1cc(C(=O)N2CC[C@@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)nc2nccn12 1782353177 UTAZSPMZANSCRY-JOCHJYFZSA-N 464.486 -0.206 50 20 JBGD CC(=O)N/C(=C\c1ccco1)C(=O)N1CCO[C@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783934679 KIIKDJPCOSADDL-CHMLTUNVSA-N 461.519 -0.041 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CCBr)C[C@@H]21)c1cc(=O)n2[nH]cnc2n1 1786974538 KCZDPKQTQSUCPS-GVXVVHGQSA-N 453.297 -0.204 50 20 JBGD Cc1nn2cc(CC(=O)N3CC[C@H]4CO[C@@H](CNC(=O)c5cnccc5C(=O)NN)[C@H]4C3)nc2s1 1788611709 SWVWYAINMXRMTA-KKXDTOCCSA-N 498.569 -0.066 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=C/c3cnccn3)[C@H]2C1 1791697890 JBLIHUUVCHIOHM-RHXIJFNCSA-N 451.487 -0.218 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccccc1-n1nccn1 1799671042 MGJHMAIVWIKHGB-YVWYUNDQSA-N 476.497 -0.217 50 20 JBGD CC(=O)N1CCN(CC(=O)N2CC[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)CC1 1807373929 DKFWKAGTWUQBKC-XUZZJYLKSA-N 493.373 -0.755 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1CCN(C(=O)[C@@H]2C[C@H](O)CN2)[C@H]1c1cccnc1 1808416156 FZXCXWFEDPPVOK-NXOVAROOSA-N 467.530 -0.056 50 20 JBGD C[C@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cnccc2C(=O)NN)[nH]n1)n1cnnn1 1822859897 ZXBCBHXWRNGRGX-ABAIWWIYSA-N 453.467 -0.038 50 20 JBGD CN(CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cnccc2C(=O)NN)CC1)C(=O)C(=O)O 1831165459 OVSNDQHKDGDLCN-QGZVFWFLSA-N 474.518 -0.539 50 20 JBGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCc3nc(O)nc(O)c3C1)CCO2 1833028083 KEAIQEGMWFPVGM-VWVPQACVSA-N 484.937 -0.297 50 20 JBGD COc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)c(OC)c1 1835931702 XZHLQIYQCATEBE-DEOSSOPVSA-N 484.314 -0.233 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)c3cnc4ccccn34)C2)C1 1835937475 YWIMYXSYGKBFON-HSZRJFAPSA-N 464.287 -0.602 50 20 JBGD COc1ccccc1C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835939438 QQKODUJZWJTVAD-QHCPKHFHSA-N 454.288 -0.241 50 20 JBGD C[C@@H](Cc1ccco1)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835939759 GMDBXJWWJDVIGN-SBUREZEXSA-N 456.304 -0.092 50 20 JBGD CN(CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCCO3)C2)C1)NC(=O)NCc1ccccc1 1839054280 QYNWCNQBRTTZCR-GBXCKJPGSA-N 489.573 -0.032 50 20 JBGD C[C@@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3ccncc3=O)CCO2)C1 1839662601 VTJIXQKZBHMUFW-KSSFIOAISA-N 457.325 -0.269 50 20 JBGD CC(=O)O[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1)C(C)C 1840184409 KOZGJDMVYOPSPN-CTNGQTDRSA-N 456.540 -0.597 50 20 JBGD CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)C1 1840218974 WBIKCRZFGPULSS-ONGXBYRLSA-N 491.969 -0.586 50 20 JBGD CS(=O)(=O)c1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)cc1F 1840771623 IKIBQDKGEAJXBX-HNAYVOBHSA-N 478.926 -0.101 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC2(CCCN2C(=O)[C@H](CCO)NC(=O)OC(C)(C)C)C1 1841432148 GTRBYVJIBSHZCK-HNNXBMFYSA-N 455.556 -0.162 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CCCC12CN(C(=O)C[C@H]1NC(=O)NC1=O)C2 1841924178 DTDLFGVRWLACJJ-NEPJUHHUSA-N 457.915 -0.080 50 20 JBGD Cc1c(/C=C(/C#N)C(=O)N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)cc(C#N)n1C 919986584 IVKDBKIMKWUCQP-YZIPPPLESA-N 465.557 -0.227 50 20 JBGD Cc1cc(C)n2ncc(C(=O)N3CC[C@]4(CN(C(=O)c5cccc(B(O)O)c5)CCO4)C3)c2n1 1777775604 HSIFVCYIYXFUJL-HSZRJFAPSA-N 463.303 -0.217 50 20 JBGD COc1ccnc(C(=O)N2CCO[C@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)c1OC 1779032146 CFNOTOPQBHIUKD-QFIPXVFZSA-N 470.486 -0.145 50 20 JBGD CN(CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nc[nH]n3)[C@H]2C1)NC(=O)NCc1ccccc1 1787222765 LLIFXHUBFFRBCL-BZSNNMDCSA-N 470.534 -0.256 50 20 JBGD CC[C@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN(CCO)CCO)[C@H]2C1 1790912037 YCUFWMKIFDVXTI-VGWMRTNUSA-N 450.374 -0.574 50 20 JBGD COc1cnc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)c(F)c1 1797749763 POUTZWPMHQFPBE-DPIQGUFMSA-N 458.450 -0.255 50 20 JBGD C[C@H](NC(=O)c1ccccn1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797754012 OVESITKMWOVJQF-ZTENYAIWSA-N 481.513 -0.898 50 20 JBGD COC(=O)[C@@H]1CCC[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)C1 1797754201 NLMZXCMFZUFQDH-WPECMILSSA-N 473.530 -0.132 50 20 JBGD Cc1onc(-c2ccncn2)c1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1798488208 FXXQPMOUPBKRHF-CWPLJXCYSA-N 477.286 -0.363 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCCS1(=O)=O 1800391162 ISEPQMSVRHGXSW-WGCSPTNMSA-N 465.532 -0.713 50 20 JBGD COC(=O)c1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)cc1 1801012236 PEGLLKSKLLLYAG-OPMZPASUSA-N 460.531 -0.022 50 20 JBGD CCOC(=O)N[C@H](O)C(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807361103 OUBMTUGMWZFFIG-XKGZKEIXSA-N 470.291 -0.855 50 20 JBGD O=C(NC[C@@H]1CCN(C(=O)Cn2ccncc2=O)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807373135 NFFMIVCUDBVWLI-PGRDOPGGSA-N 461.287 -0.662 50 20 JBGD CCNC(=S)NCC(=O)N1CC[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1813075209 XWFHRPBEVIGFMC-JXFKEZNVSA-N 463.608 -0.056 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827051714 ANCNLQKHZDKOTB-NRFANRHFSA-N 479.346 -0.088 50 20 JBGD Nc1c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)sc2nccnc12 1830723078 KZRLFPDDZBNYKD-ADLMAVQZSA-N 455.924 -0.057 50 20 JBGD Cc1ccn2c(=O)c(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)[C@@H](O)CCl)CCO4)cnc2c1 1830728014 NDAAGZMEIZRLKC-HRAATJIYSA-N 464.906 -0.327 50 20 JBGD CCC(=O)N[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3cnccc3C(=O)NN)CC2)CC1 1833419881 IJRKJIHOKFSWCP-OAHLLOKOSA-N 473.578 -0.215 50 20 JBGD CC(=O)NCC(C)(C)C(=O)NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1833544334 GIMTXFDUSAOFHM-UHFFFAOYSA-N 472.395 -0.286 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)C3(Br)CC3)C2)C1 1835939547 SDOFDWKDKBDWIT-SFHVURJKSA-N 467.125 -0.636 50 20 JBGD Cc1n[nH]c(C)c1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837459695 WOPQMLXWQMJJGZ-OAQYLSRUSA-N 457.491 -0.591 50 20 JBGD CN[C@H](CC(=O)N1CCC(OC2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1)C(=O)O 1837885682 LDGTYYYJVUGRMT-LJQANCHMSA-N 461.324 -0.959 50 20 JBGD N[C@@H](Cc1cccnc1)C(=O)N1CCC(OC2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1837920190 GYYGHTJYWMFCPJ-QHCPKHFHSA-N 480.374 -0.056 50 20 JBGD Cc1nccn1CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1840388808 MLSVTYNZXBWHJI-JOCHJYFZSA-N 464.567 -0.199 50 20 JBGD C/C(=C\c1cccnc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1840412940 VBTZYRUUXNMYQU-FTCDTSOASA-N 465.315 -0.065 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CCCC12CN(C(=O)c1cc(=O)n3[nH]nnc3n1)C2 1841924409 IJZHFAQNXJKPCH-LBPRGKRZSA-N 480.913 -0.238 50 20 JBGD C[C@@H](CBr)C(=O)N1CC2(CCCN2C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)C1 1841984170 QRHIKOUPHPOUTO-LBPRGKRZSA-N 481.351 -0.332 50 20 JBGD NC(=O)COc1ccc(C(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 28581023 QSJZPTCPRGMDDP-UHFFFAOYSA-N 490.538 -0.035 50 20 JBGD CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NNC(=O)N3CCOCC3)CC2)o1 745986231 ONYKBMOGJLFCPX-UHFFFAOYSA-N 458.493 -0.070 50 20 JBGD O=C(NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)C1=CC=CN2CCS(=O)(=O)N=C12 761658292 YBTAGTGFJZWPQY-UHFFFAOYSA-N 479.540 -0.270 50 20 JBGD Cc1ccc(C(=O)NNC(=O)COC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)cc1 912685037 QLGDXEDWMIKEOC-UHFFFAOYSA-N 474.495 -0.266 50 20 JBGD CC(=O)N1CCN(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](F)Br)[C@H]3C2)CC1 1789926369 VHFRNASXERWVDK-QBYUYEEZSA-N 463.348 -0.179 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc2c1NC(=O)C2=O 1797541250 DZWKUUWORYPGAL-DPIQGUFMSA-N 478.465 -0.663 50 20 JBGD COc1ncccc1CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797749657 IXBGIUPNGRMUAX-CWPLJXCYSA-N 468.514 -0.075 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1cccc(N2CCOCC2)c1 1799610787 ORUYIRYZMZTWDB-JHDGKUDLSA-N 479.342 -0.280 50 20 JBGD CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1801962687 LELNCXJBHPQAMG-UKBAYJJMSA-N 475.351 -0.127 50 20 JBGD CN[C@H](CC(=O)N1CC[C@@H](CNC(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1)C(=O)O 1810301629 AVGMPWZSVRJJFR-POZUXBRTSA-N 469.502 -0.538 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1 1817480025 ZOMQYTJLVDPULC-QGZVFWFLSA-N 456.312 -0.232 50 20 JBGD C[C@@H](O)[C@H](NC(=O)c1ccccc1)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1830352680 MBTOTYDFYGUMLT-XNGFIGEISA-N 483.949 -0.778 50 20 JBGD CCC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(=O)n4[nH]cnc4n3)C2)C1 1831647250 SVMYRNLESOKNRC-DJJJIMSYSA-N 452.899 -0.105 50 20 JBGD COCCn1ccc(C(=O)N2CCC(N3CCC(NC(=O)c4cccc(B(O)O)c4)CC3)CC2)n1 1834800225 ZSWBCFKCYPLAHO-UHFFFAOYSA-N 483.378 -0.292 50 20 JBGD CNC(=S)NCCC(=O)N1CCC(N2CCC(NC(=O)c3cnccc3C(=O)NN)CC2)CC1 1835738212 ZUBONMQSSAFVCT-UHFFFAOYSA-N 490.634 -0.646 50 20 JBGD COc1nccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)c1F 1836236382 RBIVOWNBRDSRGS-JOCHJYFZSA-N 473.266 -0.707 50 20 JBGD O=C1COc2ccc(C(=O)N3CCO[C@]4(COCCN(C(=O)[C@@H](O)CCl)C4)C3)cc2N1 1836988862 GJYQFTLLEPTRRN-MGPUTAFESA-N 453.879 -0.313 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cccc([N+](=O)[O-])c3)C2)C1 1837457146 YHSXYQLURQRWHF-HSZRJFAPSA-N 498.496 -0.094 50 20 JBGD C[C@H](Nc1ccccn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1837746447 BFGMIOHRSOKNCC-HTAPYJJXSA-N 462.551 -0.289 50 20 JBGD CC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4c3CS(=O)(=O)C4)C2)C1 1839144163 SAAZTCQTRMHDRZ-UGSOOPFHSA-N 460.940 -0.075 50 20 JBGD CC(=O)OC[C@H](OC(C)=O)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839200817 QJAGCIIDIOVHBZ-ZQIUZPCESA-N 483.287 -0.372 50 20 JBGD C[C@H](NC(=O)c1ccccn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1839665953 GYZPNQJYQALIKV-NBQZKYEYSA-N 454.911 -0.744 50 20 JBGD NC[C@H](N)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](Br)Cc1ccccc1)CCO2 1839801835 FQFMXTXVMPCNFO-ZWOKBUDYSA-N 469.380 -0.265 50 20 JBGD COc1cncc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)CCC(=O)NN(C)C)CCO3)c1 1840182749 SCCCXBSFUPKTSM-QHCPKHFHSA-N 477.562 -0.148 50 20 JBGD O=C(c1n[nH]c2c1CS(=O)(=O)C2)N1CCOC[C@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1840188147 QWYOKGDUXYGXNB-INIZCTEOSA-N 467.331 -0.288 50 20 JBGD Cc1cn(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)Br)C3)C2)c(=O)nc1O 1840808459 YRKQCCODHKXGKX-UGSOOPFHSA-N 473.324 -0.503 50 20 JBGD CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N2CC3(CCCN3C(=O)c3cnccc3C(=O)NN)C2)C1 1844265260 LSCIGMMCQRJLTA-HSZRJFAPSA-N 488.545 -0.126 50 20 JBGD C[C@@H](C(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1)n1ccccc1=O 1779032541 SBNOCEQPSLICEF-NYHFZMIOSA-N 454.487 -0.449 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnncc3C(=O)O)C[C@@H]21 1788611175 NSRNAQBFSIFFGS-GOPGUHFVSA-N 469.458 -0.920 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]c(C2CC2)c1F 1794481360 GMGBRTQWFOLFPX-DRXBFXEBSA-N 457.466 -0.058 50 20 JBGD Cc1c(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cnccc2C(=O)NN)cn2[nH]cnc(=O)c12 1798439974 QQNINEHBCQUOFM-BTTYYORXSA-N 464.486 -0.105 50 20 JBGD CC(=O)N(C)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN(C)NC(=O)NCc1ccccc1 1799095397 QQLVWMCXEVKLEY-JHDGKUDLSA-N 488.589 -0.209 50 20 JBGD COC(=O)[C@@H]1CCC[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)C1 1800963294 CPPNXWZYDDIDFA-ILCCUAOLSA-N 458.320 -0.451 50 20 JBGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(N3CCCNC(=O)C3)n1)C2 1800973790 GUCIXSJVYWECCF-QOIOWGMHSA-N 479.965 -0.135 50 20 JBGD O=C(NC[C@H]1CCN(C(=O)CCN2C(=O)C=CC2=O)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807360924 DEDSXPSPSSUQKN-JPYJTQIMSA-N 476.298 -0.604 50 20 JBGD COC[C@@H](NC(C)=O)C(=O)N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815360818 OHDIBEXIOULRGI-GOEBONIOSA-N 460.321 -0.800 50 20 JBGD NNC(=O)c1ccncc1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)Cn1ccncc1=O)CC2 1819800103 LRGXYAPQGPQUBS-NSHDSACASA-N 468.499 -0.376 50 20 JBGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@H](O)N1CCOCC1)CC2 1826088656 ZEEQWLKEYQHJPG-XIKOKIGWSA-N 454.553 -0.921 50 20 JBGD O=C(NCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2)c1ccccc1 1830738468 QBHUSSBYJVSDQG-UTKZUKDTSA-N 453.923 -0.137 50 20 JBGD COc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)cn1 1831950769 IALBFOVEJCZWBF-QFIPXVFZSA-N 455.276 -0.846 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C[C@H](N)c1cccnc1)CCO2 1835836736 UYIKUENLTMZIAG-PGRDOPGGSA-N 462.551 -0.699 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)c3ccc4[nH]ccc4n3)C2)C1 1835936763 BSWJZEODLMFHPW-HSZRJFAPSA-N 464.287 -0.374 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cnnn3)CCO2)C1 1836148548 LFGGEODOWOGZGJ-HXUWFJFHSA-N 489.445 -0.723 50 20 JBGD CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1836213730 PMFGQFSJWBMWAJ-OSAWLIQMSA-N 491.969 -0.587 50 20 JBGD CC(=O)Nc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)cc1 1836662993 YHOFPFMNEWTKPQ-RUZDIDTESA-N 495.341 -0.363 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnn(C)c1Cl)CCO2 1838310817 CZUKSICDHUUEBP-IBGZPJMESA-N 456.931 -0.484 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc([N+](=O)[O-])[nH]3)CCO2)C1 1838827230 ZCDMFQQTQQXPTB-HXUWFJFHSA-N 473.446 -0.695 50 20 JBGD COc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)ccc1O 1838973257 WKUBAQFISLNSFM-QHCPKHFHSA-N 470.287 -0.536 50 20 JBGD CC[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nccnc3C(N)=O)C2)C1 1839965738 IWYOJSOEBRCSSI-KZULUSFZSA-N 470.324 -0.181 50 20 JBGD O=C(CNC(=O)c1ccco1)NNC(=O)NCc1ccccc1CS(=O)(=O)N1CCOCC1 725873100 UQMSEZGNAVPDBL-UHFFFAOYSA-N 479.515 -0.298 50 20 JBGD CCN(CC)S(=O)(=O)N1CCN(C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)CC1 728960476 ZSTRWMQXDBAVTR-UHFFFAOYSA-N 468.584 -0.362 50 20 JBGD C[C@@H](C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1)N1C(=O)c2ccc(Br)cc2C1=O 919890018 YLCRPNLGJHBJKH-WPRPVWTQSA-N 473.305 -0.049 50 20 JBGD CC(=O)N[C@@H](C(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1)C(C)(C)C 1779028665 HIZRHYHYMGNNQP-JTSKRJEESA-N 460.535 -0.321 50 20 JBGD CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C(=O)N3CC[C@]4(CN(C(=O)c5cccc(B(O)O)c5)CCO4)C3)[C@@H]2C1 1783467283 JNZJVDIPODGXJG-XZWCOCNFSA-N 499.373 -0.077 50 20 JBGD COc1ncc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)cc1C 1786984589 QJXCFUHGBWGRSA-VDGAXYAQSA-N 453.304 -0.014 50 20 JBGD CC(=O)N[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1)c1ccc(F)cc1 1786984816 MQXVQCXSFHMCLA-FDTGPBLFSA-N 497.332 -0.024 50 20 JBGD CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1 1796191788 XLHYLNKMPOHRHQ-FCGDIQPGSA-N 475.351 -0.106 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnn2ccncc12 1797060165 UKUJPBAZZAHKNJ-IVWMJMPLSA-N 450.459 -0.755 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1ccc(-n2cccn2)nc1 1798212697 RNTRIWIBJRGPEI-RMFSNUHRSA-N 461.287 -0.536 50 20 JBGD O=C(CN1CCOC1=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1803334481 KKKCUQVHZJPHKY-FXAWDEMLSA-N 452.276 -0.467 50 20 JBGD O=C(O)c1cc(C(=O)NC[C@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)ncn1 1804966285 KNDCINDBHMYYKJ-OXQOHEQNSA-N 475.270 -0.117 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1CCN(C(=O)[C@@H]2C[C@H](O)CN2)[C@@H]1c1cccnc1 1810306317 WADMEBOQHPDVEI-STEAMIEHSA-N 453.503 -0.878 50 20 JBGD COC(=O)NCC(=O)NC[C@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1813266431 FDWXTGGZIZKWCP-KDOFPFPSSA-N 455.475 -0.244 50 20 JBGD COc1ccc([C@@H](O)C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)cc1 1830216482 DIYHYPLGDTZKIV-HYBUGGRVSA-N 499.524 -0.503 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc[n+]([O-])c1)CCO2 1833273392 JDIVQRWXXIDIBO-ZHNJOBQTSA-N 470.486 -0.476 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](CN)c1ccccc1)CCO2 1835822847 LLRNMGVGGANYCU-WMZHIEFXSA-N 461.563 -0.442 50 20 JBGD CCn1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)n1 1837456933 PYBFENJIPBSEBD-OAQYLSRUSA-N 457.491 -0.715 50 20 JBGD CC(C)(C)n1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)nn1 1837460169 WRITZLSDIIHLTM-QFIPXVFZSA-N 486.533 -0.585 50 20 JBGD Cc1nccn1[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837461578 YZQACVGUZKXQEX-IVZQSRNASA-N 471.518 -0.479 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(CN(C(=O)/C=C/c3ccc(O)c(O)c3O)CCO2)C1 1840881329 PHZNVFMCTLPDRV-ILHLOOHCSA-N 492.529 -0.354 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC2(CCCN2C(=O)c2nc3c(=O)[nH]c4ccccc4n3n2)C1 1843809758 SGLYPIBGGBOEMB-UHFFFAOYSA-N 466.502 -0.239 50 20 JBGD CC1(C)CN(CCNC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)CCO1 726262727 MNBJUUQGHUWRJX-UHFFFAOYSA-N 469.564 -0.238 50 20 JBGD O=C(c1nc2c(=O)[nH]c3ccccc3n2n1)N1CC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1778053223 KUERXKXGKRIXBV-XOBRGWDASA-N 460.878 -0.386 50 20 JBGD CCNC(=O)N[C@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)C2 1779326089 WCNHSKGZTQRXQQ-WHSLLNHNSA-N 454.572 -0.419 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)Cn2cccc([N+](=O)[O-])c2=O)C1 1781562317 GMGFOJQCWZLBTD-VGOFRKELSA-N 492.533 -0.357 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CSc3ncccn3)[C@H]2C1 1787076917 GEQRBPJEMIRNSS-JYJNAYRXSA-N 450.565 -0.079 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21 1791291147 NYKAOJHIGLNEMC-MQBISMTMSA-N 453.540 -0.132 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COc3cccnn3)[C@H]2C1 1791603986 URADLSOPQCPVDS-JQFCIGGWSA-N 455.475 -0.853 50 20 JBGD CN(CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ncc[nH]1)NC(=O)NCc1ccccc1 1794501647 FSDTXWPFDGEGLR-IZZQQSIFSA-N 455.519 -0.041 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(Cl)c(O)cc1O)C2)c1cccc(B(O)O)c1 1795739716 FKZDQHPKITUBSH-DBWKPXFBSA-N 460.679 -0.052 50 20 JBGD O=C(NC[C@@H]1CCN(C(=O)[C@@H]2CCCS2(=O)=O)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807372274 DAJRABJFEJYTSF-YSIASYRMSA-N 471.344 -0.342 50 20 JBGD NC(=O)c1nccnc1C(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807375433 OQPYEKSFWSOUHZ-OXJNMPFZSA-N 474.286 -0.716 50 20 JBGD O=C(Cn1ccccc1=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807439705 XNDNTOJYNJJIFP-WMZHIEFXSA-N 460.299 -0.057 50 20 JBGD O=C(Nc1cc([C@H]2CCCCN2C(=O)[C@@H](O)N2CCOCC2)[nH]n1)c1cccc(B(O)O)c1 1817476455 SMBYBVHRDGTSLO-YLJYHZDGSA-N 457.296 -0.954 50 20 JBGD COC[C@H](NC(C)=O)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1 1817477050 XKAOYGGLPYOCJS-ZWKOTPCHSA-N 457.296 -0.454 50 20 JBGD O=C(COc1ccc(O)nn1)Nc1nc2c(s1)C[C@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1824557435 INHWMBGYDXAHFM-CYBMUJFWSA-N 469.288 -0.377 50 20 JBGD NC(=O)c1nccnc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827052623 SMNNCLAHMHKKOV-SFHVURJKSA-N 465.319 -0.198 50 20 JBGD C[C@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3C(=O)CNC3=O)C2)C1 1830535389 NJFHKPZSPHWKCS-PXAZEXFGSA-N 461.313 -0.974 50 20 JBGD O=C(CCN1C(=O)Cc2ccccc2C1=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830719901 OAPXJLFCKXTCPB-JPYJTQIMSA-N 493.944 -0.342 50 20 JBGD CC[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)CCN3C(=O)C=CC3=O)CCO2)C1 1832025504 ZARAWPKCDLFQIO-KUHUBIRLSA-N 472.336 -0.069 50 20 JBGD CC(C)(C)n1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)n1 1833585693 QFXLFDGSBNUIJT-QHCPKHFHSA-N 470.335 -0.298 50 20 JBGD CN(CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ncc[nH]1)CCO2)NC(=O)NCc1ccccc1 1833721193 WQRHPXLIXRIKFM-QHCPKHFHSA-N 485.545 -0.174 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(CN(C(=O)C(=O)c3ccccc3)CCO2)C1 1834705677 XNJHFLIFIQNHEL-QHCPKHFHSA-N 467.482 -0.362 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)COc3cccnn3)CC2)CC1)c1cccc(B(O)O)c1 1834801445 JXNOIKCGQUQQDQ-UHFFFAOYSA-N 467.335 -0.579 50 20 JBGD N[C@@H](Cc1cscn1)C(=O)NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1835048932 FHRAOKCYUVPSPV-NRFANRHFSA-N 485.419 -0.422 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC1CCN(C2CCN(C(=O)c3cccnn3)CC2)CC1 1835737820 DYTDXNFUHMETSN-UHFFFAOYSA-N 452.519 -0.026 50 20 JBGD CN1CCC(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)CC1 1835926549 RCZGHFNBIXOMMF-QHCPKHFHSA-N 459.352 -0.832 50 20 JBGD O=C(/C=C/C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2)c1cccs1 1835928324 KRXQFXADCQXNME-NDEDVSTASA-N 484.339 -0.063 50 20 JBGD CC(=O)N1CCN(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](F)Br)C3)C2)CC1 1836767198 FPTJLXIGEHMUBV-FUHWJXTLSA-N 479.347 -0.703 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccncc3)C2)C1 1837459601 LKFLIVRZXOLGQF-QFIPXVFZSA-N 454.487 -0.607 50 20 JBGD CN[C@@H](CC(=O)N1CCC(OC2CCN(C(=O)c3cnccc3C(=O)NN)CC2)CC1)C(=O)O 1837884333 BAZNMOAYHADSQC-SFHVURJKSA-N 476.534 -0.640 50 20 JBGD CN(CC(=O)N1CCO[C@]2(COCCN(C(=O)C3CC(O)C3)C2)C1)NC(=O)NCc1ccccc1 1839054025 CFJFMAUBJQUWCV-ZSHKSDETSA-N 489.573 -0.440 50 20 JBGD Cc1cccn2ncc(C(=O)N3CCO[C@@]4(COCCN(C(=O)c5ccc(B(O)O)cc5)C4)C3)c12 1839611005 RPJNBKJWEDGUPB-XMMPIXPASA-N 478.314 -0.294 50 20 JBGD COc1ccc(F)cc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1840688161 LXBUVZKJTFDOGE-HSZRJFAPSA-N 472.278 -0.102 50 20 JBGD C[C@@H]1CN(CCNC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)CCO1 726257863 BDDHDPKFPNCVET-OAHLLOKOSA-N 455.537 -0.628 50 20 JBGD CSCC[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 729277267 XQFZHZBBNNPPGN-CMPLNLGQSA-N 470.570 -0.689 50 20 JBGD Cn1cc(S(=O)(=O)NCC(=O)NNC(=O)c2ccc(CSc3nncn3C)cc2)cn1 915638669 SAHXWULMAOZHBP-UHFFFAOYSA-N 464.533 -0.420 50 20 JBGD COc1c(F)cc(CC(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)cc1S(N)(=O)=O 916123211 QBOKXUOOQCMKRH-UHFFFAOYSA-N 463.447 -0.268 50 20 JBGD Cc1cc(NC(=O)CC(=O)N2CCO[C@@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)no1 1779030792 XIXOKECHSOVINR-NRFANRHFSA-N 471.474 -0.546 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)COC(=O)C(F)(F)F)C2 1779372634 QIVROHMCWNEVLG-AUUYWEPGSA-N 487.435 -0.082 50 20 JBGD O=C(OCCO)c1ccccc1C(=O)N1CC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1780156691 SUGKNHWAJFSHOP-XMMPIXPASA-N 482.298 -0.727 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](CCN)NC(=O)OC(C)(C)C)CCO2 1783933992 QQUJTWNQUINBMQ-ZHRRBRCNSA-N 484.598 -0.569 50 20 JBGD Cc1ccc(=O)n(C(C)(C)C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]32)n1 1788733289 BMBVPAUVHBIDKU-BZSNNMDCSA-N 476.578 -0.360 50 20 JBGD Cc1cn(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](F)Br)[C@H]3C2)c(=O)nc1O 1789926813 GFJRNKCOWKQTOF-ZJQBRPOHSA-N 461.288 -0.072 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc(C(F)(F)F)cn1)C2)c1cccc(B(O)O)c1 1795739086 VHVPWGXGTQJRFM-FVCICTRLSA-N 464.209 -0.308 50 20 JBGD CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc(B(O)O)c2)C1 1796191677 NHKFTXLSGSKWFG-USYVTKNRSA-N 487.362 -0.154 50 20 JBGD C[C@H](NC(=O)c1cnccn1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)Br)C2 1797871519 XOHAQNFSYMXMLC-GEJOOGBSSA-N 454.325 -0.032 50 20 JBGD CN1CCC(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)CC1 1830000790 MZGQMWSMULEOBI-HSZRJFAPSA-N 459.352 -0.832 50 20 JBGD Cc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)cn1 1833129824 KZCWCKHIQXFFSH-QHCPKHFHSA-N 453.304 -0.617 50 20 JBGD Cc1ccc(S(=O)(=O)CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)cc1 1835184446 WRSGKOYMOLNZTD-XLIONFOSSA-N 474.963 -0.175 50 20 JBGD CN1Cc2ccccc2C[C@H]1C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835927224 MSWIYARWLVXPNQ-JYFHCDHNSA-N 493.369 -0.507 50 20 JBGD COc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)c(O)c1 1835931391 QBCQGXPESMNFPI-QHCPKHFHSA-N 470.287 -0.536 50 20 JBGD COc1ccnc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)c1 1835938559 YKSBLQJGGBGMBC-JOCHJYFZSA-N 455.276 -0.846 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnc(F)c3)C2)C1 1837456202 KULIPNWSZFWPLM-NRFANRHFSA-N 458.450 -0.397 50 20 JBGD C[C@@H](Oc1ccccn1)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837460414 FXNUCJBCPHNBGZ-WAIKUNEKSA-N 484.513 -0.382 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)c1c(F)ccc(O)c1F)CCO2 1839411061 SXQKKJQOKIXBCG-JOCHJYFZSA-N 476.241 -0.266 50 20 JBGD CC(C)N1CCC[C@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1840583018 QEGGSGRUMZORKT-NZQKXSOJSA-N 459.352 -0.691 50 20 JBGD COCCn1cnc2c1c(=O)n(CC(=O)NNC(=O)[C@H]1CCCOC1)c(=O)n2Cc1ccccc1 727726230 XFQZAIMVUDPTRW-KRWDZBQOSA-N 484.513 -0.372 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1CCC(=O)NC1)C2 1779371359 RROGCAAUPKKFTP-UZSYQUHHSA-N 458.519 -0.661 50 20 JBGD C[C@@H](NC(=O)OCc1ccccc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795741423 WKQQVZIQTAHPIK-ALOBAPJISA-N 495.341 -0.116 50 20 JBGD CN(C)c1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)cn1 1797751572 IFDJDACKMSJJIG-CCWDJLKJSA-N 453.503 -0.337 50 20 JBGD CC(=O)N(C)CCC(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1804067417 MPCLJBNINWJERZ-UGKGYDQZSA-N 452.320 -0.051 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCC2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)CC1 1809976596 JFLRUDRRRIHZSK-UHFFFAOYSA-N 450.109 -0.795 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@H]1CCN(C(=O)c2cc(O)nc(O)n2)[C@H]1c1cccnc1 1810302921 NSGAKTOBIMEAJK-ACJLOTCBSA-N 478.469 -0.085 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1CCN(C(=O)[C@H]2CCNC(=O)C2)[C@H]1c1cccnc1 1810305386 KXCQBSMBVUZVOG-UVFQYZLESA-N 465.514 -0.074 50 20 JBGD CN1CCN(CC(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(B(O)O)cc3)n[nH]2)CC1 1817471552 IIGWNVKBMPTBPV-IBGZPJMESA-N 454.340 -0.357 50 20 JBGD O=C1CC(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCN3C(=O)OCc2ccccc2)=NN1 1828551112 JAXVOBFXFQKZCZ-HTAPYJJXSA-N 491.932 -0.086 50 20 JBGD O=C(c1cccc(N2CCOCC2)n1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830728068 OGGUZLYCBUNROJ-UTKZUKDTSA-N 468.938 -0.412 50 20 JBGD Cc1ncccc1CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1832637015 CEPLVIQPMNCCBQ-XMMPIXPASA-N 467.331 -0.227 50 20 JBGD O=C(c1ccc(N2CCOCC2)cn1)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1833614843 GZANNLZUUUHACN-WIYYLYMNSA-N 468.938 -0.412 50 20 JBGD Cc1cc(C(=O)NCC(=O)NC2CCN(C3CCN(C(=O)[C@H](O)CCl)CC3)CC2)no1 1835773893 PXLKCCMZGMJZRX-QGZVFWFLSA-N 455.943 -0.116 50 20 JBGD C[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(=O)n4[nH]cnc4n3)CCO2)C1 1835926159 RAFUTPPNIXEMGH-PIGZYNQJSA-N 469.296 -0.729 50 20 JBGD Cn1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)c(C(F)F)n1 1835928724 WVAVRHQGXXJXOM-OAQYLSRUSA-N 478.261 -0.579 50 20 JBGD CCc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)n(C)n1 1835938098 KWBIBKKOSXMSSA-QFIPXVFZSA-N 456.308 -0.954 50 20 JBGD O=C(COc1cc(Cl)ccn1)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835938487 WEUMEAIDMVGNST-QFIPXVFZSA-N 489.721 -0.436 50 20 JBGD C/C(=C\c1cccnc1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835939773 HBGIJLJRFLUPEP-IRUWDQCASA-N 465.315 -0.065 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1nc3ccccn3n1)CCO2 1836396409 QOWUNOJNKOLUEB-VUEBRRCKSA-N 494.512 -0.067 50 20 JBGD CC(=O)Nc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)o1 1837453115 VEAIMXHOYAUJII-JOCHJYFZSA-N 486.485 -0.380 50 20 JBGD Cn1nc2c(c1C(=O)N1CCOC[C@@]3(CN(C(=O)c4cnccc4C(=O)NN)CCO3)C1)CCC2 1837459826 NJPAQCTXFXATDZ-HSZRJFAPSA-N 483.529 -0.709 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1nn[nH]c1C(F)(F)F)CCO2 1838767561 LCPSMSAQDNWPHM-KRWDZBQOSA-N 477.444 -0.734 50 20 JBGD N#Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)cc1 1838951220 DSMVKTTXEFTTIO-HSZRJFAPSA-N 464.482 -0.059 50 20 JBGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)C[C@H](O)CNC(=O)OC(C)(C)C)CCO2)C1 1839210609 WDCBHMWNYIJDRA-CKJXQJPGSA-N 493.985 -0.028 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cn4c(F)cccc4n3)C2)C1 1840185711 VVTUQENATWRZTF-JOCHJYFZSA-N 476.509 -0.084 50 20 JBGD CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc1 14870814 XJPBLXWLWKKKST-GFCCVEGCSA-N 453.564 -0.539 50 20 JBGD CCn1cnc2c1c(=O)n(CC(=O)NNC(=O)[C@@H]1CCCN(C(C)=O)C1)c(=O)n2Cc1ccccc1 789855612 YRDMQOAQTWPRII-GOSISDBHSA-N 495.540 -0.166 50 20 JBGD COc1cc2c(cc1OC)[C@H](CC(=O)NNC(=O)[C@@H]1CCN(C)C(=O)C1)N(S(C)(=O)=O)CC2 910848243 NKGJIZJGTODVNW-ZBFHGGJFSA-N 482.559 -0.032 50 20 JBGD CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)NNC(=O)CCN3C[C@H](C)O[C@@H](C)C3)cc2)CC1 920279868 PCHKYPIWIJVFEK-IRXDYDNUSA-N 495.602 -0.200 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc4n(n3)CCCNC4=O)C2)C1 1778380581 WYIKEHAMKJSIMN-XQQQEEOESA-N 496.528 -0.406 50 20 JBGD C[C@H](Oc1cccnc1)C(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779034769 UULJGXZYRHGRRA-NYHFZMIOSA-N 454.487 -0.009 50 20 JBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2)c1cc(=O)nc2cccnn12 1780038935 MUXIHZQBNBJJIH-NTKDMRAZSA-N 491.313 -0.789 50 20 JBGD CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H](O)CCl)CCO2)C1 1785515151 JKJMAZVQFBQZOE-MNVSYLFESA-N 477.942 -0.128 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)C[C@@H]21 1791291537 YCVRXLLHISMJGF-BZSNNMDCSA-N 487.623 -0.989 50 20 JBGD CN(CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(=O)n1O)C2)NC(=O)NCc1ccccc1 1799095309 MSFNPDDWLSSGFM-OPMZPASUSA-N 498.540 -0.365 50 20 JBGD CC(=O)OC[C@H](OC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](F)Br 1799350117 QRVUMISPDVMNBH-NDKCEZKHSA-N 453.261 -0.239 50 20 JBGD O=C(CN1C(=O)CSC1=S)N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815364464 UMBLNEGGZODGGW-LBPRGKRZSA-N 490.397 -0.091 50 20 JBGD CS(=O)(=O)c1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)c1 1830178202 CQUXEVCCKXQWGP-VQIMIIECSA-N 460.936 -0.240 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)c1ncc(F)cc1F)CCO2 1831961262 CVZFLUFBFSLQDS-NRFANRHFSA-N 461.230 -0.577 50 20 JBGD CNC(=O)CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](CCl)NC(=O)OC(C)(C)C)CCO2 1832549633 OVGIUKVKQIXFOZ-VBKZILBWSA-N 476.958 -0.289 50 20 JBGD CN1CCC(C(=O)NC2CCN(C3CCN(C(=O)c4ccc(B(O)O)cc4)CC3)CC2)CC1 1833103746 XAUMOZNOEWMNLJ-UHFFFAOYSA-N 456.396 -0.107 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCC(N2CCC(NC(=O)[C@H]3CCC(=O)N3)CC2)CC1 1834588332 CGGGUQODYVSGGA-GOSISDBHSA-N 457.535 -0.851 50 20 JBGD Cc1nnc(CC(=O)NC2CCN(C3CCN(C(=O)c4cccc(B(O)O)c4)CC3)CC2)s1 1834852912 RHGHTRQEHRRXDQ-UHFFFAOYSA-N 471.392 -0.046 50 20 JBGD Cc1noc(C)c1CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835927264 NEWBEGINIOZYDP-HSZRJFAPSA-N 471.319 -0.326 50 20 JBGD Cn1ncc(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)c1C(F)(F)F 1835927707 XMLPLJDMNPIBLX-FQEVSTJZSA-N 496.251 -0.498 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CC(c4ccccc4)=NN3)C2)C1 1835931808 DBWHZKJJSKPZEF-WIOPSUGQSA-N 492.341 -0.797 50 20 JBGD O=C(C[C@H]1COc2ccccc2O1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835934361 XSCUXVHSDWEXHX-NBGIEHNGSA-N 496.325 -0.334 50 20 JBGD O=C(c1cc(O)c(O)c(Cl)c1)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835939424 QFBUJAPWWHWFFU-QFIPXVFZSA-N 490.705 -0.185 50 20 JBGD COC[C@H](NC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1837733888 IZIASRJAOIKFIU-XEZPLFJOSA-N 454.293 -0.716 50 20 JBGD O=C(Cn1cc([N+](=O)[O-])cn1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839198552 HZKUTTCVEDHHMG-DZGCQCFKSA-N 464.248 -0.062 50 20 JBGD O=C(O)c1cnncc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839200429 KNRVBMZZZDXBPQ-WBMJQRKESA-N 461.244 -0.065 50 20 JBGD CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N2CCCC23CN(C(=O)c2ccc(B(O)O)cc2)C3)[C@@H](O)C1 1841026357 ZQLGLTKHOBQRBX-MOPGFXCFSA-N 487.362 -0.199 50 20 JBGD Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)C1 729299327 OXJFPFHUAITCNI-HNNXBMFYSA-N 473.519 -0.136 50 20 JBGD NS(=O)(=O)c1cc(C(=O)NNC(=O)CNC(=O)c2ccc3c(c2)OCO3)ccc1Cl 915789174 WDVAFQRXNMZASJ-UHFFFAOYSA-N 454.848 -0.093 50 20 JBGD COCCn1nccc1C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779030056 FUNNTRWZLHIRII-OAQYLSRUSA-N 457.491 -0.715 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)c3cnn4cccc(F)c34)C2)C1 1782552125 KLHKDRQSHIFXMA-JOCHJYFZSA-N 452.251 -0.090 50 20 JBGD C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786978685 LHGGPZPIQFTROQ-CBVHJVASSA-N 475.351 -0.127 50 20 JBGD CC(=O)O[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1)C(C)C 1788610981 DAUGWIZIAUYBPI-UDTPNQRGSA-N 461.519 -0.134 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1ccc(-n2cccn2)nc1 1788983538 LSTPVHOXLSERCU-JBACZVJFSA-N 475.314 -0.146 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CC[C@H]2CO[C@@H](CNC(=O)C3(Br)CC3)[C@H]2C1 1789930521 MJORATIKSYPRSL-BPUTZDHNSA-N 451.126 -0.113 50 20 JBGD C[C@H](Oc1cccnc1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1791651654 NYNKDURRODSSDO-OQRYQMPQSA-N 453.304 -0.178 50 20 JBGD CN(CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnnn1C)NC(=O)NCc1ccccc1 1794228473 FZGSAZFQXPLLEQ-XEMDLRDOSA-N 470.534 -0.636 50 20 JBGD COc1ccc([C@H](O)C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)cc1 1795732871 PSVHTGFDZXAKOR-JWWGGVBKSA-N 454.288 -0.688 50 20 JBGD Cc1nc2ccc(F)cn2c1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795736303 XMFBKMUNEIJXTI-CWPLJXCYSA-N 466.278 -0.021 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1Cc3[nH]nc(C(F)(F)F)c3C1)C2)c1ccc(B(O)O)cc1 1795736993 STHDWXYECRQWQZ-ZUMXRPEOSA-N 492.263 -0.274 50 20 JBGD COc1ncc(Cl)cc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795737028 UNNMMRKMIMQDCZ-ZSBFGKGUSA-N 459.695 -0.060 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1cc(-c2ccncc2)[nH]n1 1798147532 WFEYMQUQJORBGT-UPHUGPLXSA-N 461.287 -0.332 50 20 JBGD CCS(=O)(=O)N[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1803508731 KKWSMOCZNBPTKC-XFQXTVEOSA-N 488.375 -0.591 50 20 JBGD O=C(NC[C@H]1CCN(C(=O)CN2C(=O)C=CC2=O)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807364537 FVTIJROEEVVXQN-VGOFRKELSA-N 462.271 -0.994 50 20 JBGD O=C(COc1cccnn1)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1813389097 NNMCPNUOGLPOHR-PGRDOPGGSA-N 461.287 -0.050 50 20 JBGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1cc(=O)nc3cccnn13)CC2)c1cccc(B(O)O)c1 1815360726 MSRISJRUWXDLHP-CQSZACIVSA-N 490.310 -0.235 50 20 JBGD COC[C@H](NC(C)=O)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 1829114275 RINDEQBASYAAHF-LEWJYISDSA-N 459.352 -0.249 50 20 JBGD C[C@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4n(n3)CCNC4=O)C2)C1 1830537984 SHKAHBLEGIFTAE-BFUOFWGJSA-N 484.351 -0.273 50 20 JBGD CC(C)(C)OC(=O)N1CCOC[C@H]1C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](O)CCl)CCO2)C1 1830727928 KPNFETZQUWAAIE-MRUHUIDDSA-N 491.969 -0.322 50 20 JBGD O=C(CCS(=O)(=O)c1ccccc1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1835142858 ZHJSDQXLLRBBKX-PXNSSMCTSA-N 474.963 -0.094 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1c(F)cncc1F)CCO2 1838164304 AIAKVHLLPCBUPL-OAQYLSRUSA-N 461.230 -0.577 50 20 JBGD C[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)COc3ccc(O)nn3)CCO2)C1 1839670763 ZVGBDIGEYMXNSN-YVEFUNNKSA-N 459.297 -0.199 50 20 JBGD C[C@@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1cc2c(cc1Br)OCCO2 728510585 PSELCOVRTKWYDF-SSDOTTSWSA-N 458.312 -0.533 50 20 JBGD NC(=O)c1ccc(CNC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1 916531117 XSVHJADPSQAHST-UHFFFAOYSA-N 461.500 -0.049 50 20 JBGD Cc1cnc2c(C(=O)N3CC[C@]4(CN(C(=O)c5cnccc5C(=O)NN)CCO4)C3)cnn2c1 1778523618 DDAKKFVFSTVILW-JOCHJYFZSA-N 464.486 -0.206 50 20 JBGD O=C1COc2ccc(C(=O)N3CC[C@@]4(CN(C(=O)c5ccc(B(O)O)cc5)CCO4)C3)cc2N1 1778573059 DMSRFXHPEQFWFW-QHCPKHFHSA-N 465.271 -0.545 50 20 JBGD COc1cc(C(=O)N2CC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)c([N+](=O)[O-])cc1O 1780195856 WELRAXKMQIACFN-JOCHJYFZSA-N 485.258 -0.254 50 20 JBGD Cc1cc(C(=O)NCC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CCC(=O)NN(C)C)C2)no1 1782214243 JBGBHNOPVGAPGJ-VGOFRKELSA-N 478.550 -0.400 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CSCC(=O)O)C1 1782223535 TWDPOBBMNNVVEK-FOIQADDNSA-N 465.532 -0.370 50 20 JBGD O=C(Cc1ccc2c(c1)OCO2)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1786600067 HXUGROKMSAGRRS-JLMWRMLUSA-N 466.299 -0.069 50 20 JBGD COC(=O)c1ccc(OCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)cc1 1786982183 QLUYLVXUVWJGTA-NYVOZVTQSA-N 496.325 -0.175 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(-n4cnnc4)cc3)C[C@@H]21)c1cccc(B(O)O)c1 1786984543 SBBUQMXWMBDYNT-NYVOZVTQSA-N 475.314 -0.146 50 20 JBGD CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](Cc3ccc(B(O)O)cc3)NC(=O)OC(C)(C)C)[C@H]2C1 1787519124 ZXANKMBUXSIOBC-VMXMFDLUSA-N 489.378 -0.198 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc(O)n4c3CCCC4)C[C@@H]21 1788611209 OTUYTDUSNAQQAA-OWQGQXMQSA-N 483.529 -0.169 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1cccc(-n2cncn2)c1 1790248492 SGHJPFRYJYIYHG-NYVOZVTQSA-N 475.314 -0.146 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCc3ccc(O)nn3)[C@H]2C1 1790566263 JLVLSUSLDDIRPQ-KKXDTOCCSA-N 469.502 -0.593 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(B(O)O)cc1)C2 1793246125 KVIQPSDGAQUHBJ-RDGPPVDQSA-N 475.351 -0.106 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(=O)nc2sccn12 1798415124 MXFPKCIETHKJCZ-DPIQGUFMSA-N 483.510 -0.729 50 20 JBGD Cc1onc(-c2ccncn2)c1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1798489909 WOMRXINTCWAWRW-HBCWATKFSA-N 492.496 -0.044 50 20 JBGD CC[C@H](NC(C)=O)C(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1802544213 JSKZHYKYLQEQPU-GIVPXCGWSA-N 452.320 -0.004 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)CN2CCS(=O)(=O)CC2)[C@H]1c1cccnc1 1804195637 GERRDCIEPMXOLB-PGRDOPGGSA-N 494.618 -0.809 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807368720 XLBNJJVGPZJCSD-PGRDOPGGSA-N 467.335 -0.546 50 20 JBGD CC(=O)OC[C@@H](OC(C)=O)C(=O)N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815356865 UVDNYIYJDJLNSV-DOTOQJQBSA-N 489.315 -0.457 50 20 JBGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)[C@@H]2CCCS2(=O)=O)[nH]n1)c1cccc(B(O)O)c1 1817476905 GSJGDXNTPBSZKF-IRXDYDNUSA-N 460.321 -0.027 50 20 JBGD Cc1cn(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(B(O)O)cc3)CC2)c(=O)nc1O 1827054656 IYJHQMXIRLVHIA-FQEVSTJZSA-N 482.346 -0.129 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCC([C@H]2CCCCN2C(=O)c2cc(=O)n3[nH]nnc3n2)CC1 1827398965 SDKGNYWIRLDFJP-GOSISDBHSA-N 479.306 -0.961 50 20 JBGD COc1ccc([C@@H](O)C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)cc1 1830213433 HXCINQGJLPWPER-ZJSXRUAMSA-N 484.314 -0.821 50 20 JBGD C[C@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(O)nc3O)C2)C1 1830538356 CVLXXASKNJIRAP-DIFFPNOSSA-N 459.297 -0.011 50 20 JBGD Cc1ncccc1CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1832637762 TWIDYYYSJDUKRK-XMMPIXPASA-N 467.331 -0.227 50 20 JBGD Cc1ccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)cn1 1832901860 FZEWNPCDHGBIFK-DEOSSOPVSA-N 467.331 -0.227 50 20 JBGD COc1ncccc1CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1833000122 IDZMBJFSUVPEDG-XMMPIXPASA-N 483.330 -0.527 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)c3ccnc4c3OCO4)CC2)CC1)c1ccc(B(O)O)cc1 1834798327 IBPRCGCSQGVBRM-UHFFFAOYSA-N 480.330 -0.011 50 20 JBGD Cc1cc(CC(=O)N2CCC(N3CCC(NC(=O)c4ccc(B(O)O)cc4)CC3)CC2)n[nH]1 1834798388 OPRZGQCRMLYSDG-UHFFFAOYSA-N 453.352 -0.174 50 20 JBGD CC(C)(C)OC(=O)NCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835933591 CSCPSEWLIQSQSR-QHCPKHFHSA-N 491.350 -0.649 50 20 JBGD CCC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(=O)n4[nH]nnc4n3)CCO2)C1 1836403417 GZOKCNXJNPNCPZ-XIKOKIGWSA-N 453.887 -0.710 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(Cl)ncn3)C2)C1 1837459661 VJZZWQTXJWUONI-FQEVSTJZSA-N 475.893 -0.488 50 20 JBGD COc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)cc1OC 1838931150 KXLAJEKPBSJPFB-XMMPIXPASA-N 484.314 -0.233 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc3ccnn3c1)CCO2 1839569736 XFRALIDHDWMHAF-HSZRJFAPSA-N 464.287 -0.602 50 20 JBGD O=C(Cc1ccc(F)cc1F)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1839978623 RDMYHELNEVGGKL-HSZRJFAPSA-N 474.269 -0.043 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cncc(O)c1)CCO2 1840061795 WBKZUSYBKKHZCK-BHSKHCGUSA-N 470.486 -0.009 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3ncc[nH]3)CCO2)C1 1840325147 HTZSFLVTOVGTKT-OAQYLSRUSA-N 457.491 -0.889 50 20 JBGD C=CCNC(=S)NNC(=O)Cn1c(=O)c2c(ncn2CCOC)n(Cc2ccccc2)c1=O 16310826 FIUOGWVACMGLJN-UHFFFAOYSA-N 471.543 -0.264 50 20 JBGD COc1ccc(CCN2C[C@@H](C(=O)NNC(=O)[C@@H]3CCS(=O)(=O)C3)CC2=O)cc1OC 728382564 YLAFCNNPKQDLPG-CABCVRRESA-N 453.517 -0.323 50 20 JBGD O=C(CN1CCS(=O)(=O)CC1)NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 916145469 RZIHBRHSXPGJAH-UHFFFAOYSA-N 480.568 -0.344 50 20 JBGD O=C(CCc1ccc(O)nn1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2 1781467190 VAIWNSCGRSRJOV-AUSIDOKSSA-N 468.319 -0.378 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)C3CCC4(CC3)OCCO4)C2)C1 1782940263 CKRJJAWCHGIDTJ-JOCHJYFZSA-N 458.320 -0.257 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)Cc3ccccc3)C[C@@H]21)c1ccc(B(O)O)cc1 1786983620 OLQBPBVXNRTRQT-UVUJQTEASA-N 452.316 -0.437 50 20 JBGD O=C(COC(=O)C(F)(F)F)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1788529223 CCPAIJDWGQNOJB-QEJZJMRPSA-N 458.198 -0.935 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)Cc3ccccc3)C[C@@H]21 1788609828 MFDGCBDTYDNSBX-DVWBAYGPSA-N 467.526 -0.118 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COc3cccnn3)[C@H]2C1 1791602006 BEYVQRLRZBEYIP-GZERKGCBSA-N 469.502 -0.031 50 20 JBGD CC(C)(C)OC(=O)N1[C@H]2C[C@@H](C[C@@H]2O)[C@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)CCl 1792982536 HLAAVIKLZPXLHO-YBCDSMPPSA-N 487.981 -0.066 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN1Cc3ccccc3C1=O)C2)c1cccc(B(O)O)c1 1795738992 LHTGZNHLKBAMLX-BBIADKPPSA-N 477.326 -0.384 50 20 JBGD CN(CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN)C(=O)c1ccccc1 1797748555 HSNFCYNXKOCENT-UPHUGPLXSA-N 480.525 -0.340 50 20 JBGD CN(CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(=O)ccn1C)C2)NC(=O)NCc1ccccc1 1799097151 FLWUMQLLIIRZHZ-BBIADKPPSA-N 496.568 -0.065 50 20 JBGD C[C@H](NC(=O)c1ccc(F)cc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C 1801012515 MJNURUMZKVLVCY-WGVRVLLMSA-N 477.537 -0.093 50 20 JBGD CC(C)(C)OC(=O)N1[C@H]2C[C@H]2C[C@@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1802138169 RRTVUFNHTGXOCZ-DHTLZVBUSA-N 499.373 -0.033 50 20 JBGD O=C1CC[C@H](C(=O)NC[C@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)CN1 1802611921 QZWBWIDQAHLFDK-LVCYWYKZSA-N 450.304 -0.393 50 20 JBGD COC[C@H](Cl)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@@H](N)CN)C2)C1 1829341202 YGNBKMNOUWEYJR-SPEDKVCISA-N 481.981 -0.022 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1)c1ccc(O)nn1 1834070124 GKEFLTDRHHTUDD-UHFFFAOYSA-N 453.308 -0.639 50 20 JBGD CN1CCN(CCC(=O)N2CCC(N3CCC(NC(=O)c4ccc(B(O)O)cc4)CC3)CC2)CC1 1834797845 DATVZCFXCVOTNS-UHFFFAOYSA-N 485.438 -0.811 50 20 JBGD CC(=O)NCC(C)(C)C(=O)N1CCC(N2CCC(NC(=O)c3cccc(B(O)O)c3)CC2)CC1 1834799769 AIYDGRNMMYGMIT-UHFFFAOYSA-N 472.395 -0.286 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)[C@H](O)CCl)CC2)CC1)c1cc2n(n1)CCCNC2=O 1835516396 XMAPMHIEAGGPRT-GOSISDBHSA-N 466.970 -0.199 50 20 JBGD N=C(N)NCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](Br)Cc3ccccc3)C2)C1 1835578422 VYIFYRJTIMAMQK-OXJNMPFZSA-N 482.379 -0.068 50 20 JBGD Cc1cc(C(=O)NCC(=O)NC2CCN(C3CCN(C(=O)c4ccc(B(O)O)cc4)CC3)CC2)no1 1835774768 CTLXMSXHUPGXHD-UHFFFAOYSA-N 497.361 -0.722 50 20 JBGD CN(C)c1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)cc1 1835931023 CSBQCEVCUHMODF-XMMPIXPASA-N 467.331 -0.184 50 20 JBGD Cc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)nc2nccn12 1835939426 QGCUJMODYYPFKN-HSZRJFAPSA-N 479.302 -0.899 50 20 JBGD Cc1cn(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)Br)CCO3)c(=O)nc1O 1840036099 FGAZPCGLLBJWDE-SCLBCKFNSA-N 473.324 -0.503 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(Cl)nc3)C2)C1 1840183246 WDPOBQFKRYIKSB-IBGZPJMESA-N 454.915 -0.427 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1840183899 HFRDMTUEINUQDH-OAQYLSRUSA-N 452.556 -0.902 50 20 JBGD CCN(CC)C[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840185035 JXDKRHWWLWKADE-GCJKJVERSA-N 455.600 -0.206 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CC2(CCCN2C(=O)C[C@@H]2NC(=O)NC2=O)C1 1841957821 DMQGXXDGLKKVNG-RYUDHWBXSA-N 457.915 -0.080 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)CCNC(=O)c3ccccc3)C2)C1 1785331826 DGMJBFZEXONBLL-DEOSSOPVSA-N 480.525 -0.051 50 20 JBGD C[C@@H](CBr)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786982707 FCKUMICYPKRUIU-CSFVBSKPSA-N 453.142 -0.009 50 20 JBGD CN(CC(=O)NC1(c2ccc(NC(=O)c3ccc(B(O)O)cc3)cc2)CCC1)C(=O)C(=O)O 1788143435 CXQJGLKQESDSNV-UHFFFAOYSA-N 453.260 -0.343 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCNC(=O)c3ccc[nH]3)C[C@@H]21 1791288069 UFXYZFOJOKKNJU-BQFCYCMXSA-N 462.551 -0.513 50 20 JBGD CN(CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(=O)N(C)C)NC(=O)NCc1ccccc1 1795463787 MHPSYHGEDGAIJM-IZZQQSIFSA-N 460.535 -0.990 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(N3CCCC3)ccn1)C2)c1cccc(B(O)O)c1 1795738759 DDEZPPSFESGQTK-OPMZPASUSA-N 464.331 -0.121 50 20 JBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3c(c1)OCCO3)C2 1797750741 OSKIVPQLTFCVEC-YVWYUNDQSA-N 467.482 -0.027 50 20 JBGD CN(CC(=O)N1CC[C@@H](CNC(=O)C(O)O)[C@H]1c1cccnc1)NC(=O)NCc1ccccc1 1802923518 QPXSWSJRKMTUMC-AZUAARDMSA-N 470.530 -0.256 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H](CNC(=O)CCc2nc(N)n[nH]2)[C@@H]1c1cccnc1 1810149826 BUFUECHJPMQQEJ-KUHUBIRLSA-N 478.517 -0.267 50 20 JBGD O=C(NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1)c1cc(CO)on1 1811589848 KYUIPNZPAKVKKL-OXQOHEQNSA-N 450.260 -0.125 50 20 JBGD COC[C@H](NC(C)=O)C(=O)N[C@H]1CCc2nc(NC(=O)CCC(=O)NN(C)C)sc2C1 1826087843 LSGBXRZCBIDKFW-JSGCOSHPSA-N 454.553 -0.421 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)CC[C@@H](N)C(N)=O)CC1 1826934203 VBZHTMHEUKSJMS-MSOLQXFVSA-N 459.551 -0.489 50 20 JBGD COc1ccccc1C(=O)N1CC(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)C1 1830719250 AZYPTKOBUBOPFQ-MBSDFSHPSA-N 495.960 -0.177 50 20 JBGD CC(C)(C)OC(=O)NCCOCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830733398 LEXVKKFOJJLWLP-FOIQADDNSA-N 479.958 -0.416 50 20 JBGD CC(C)[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1831493474 SHLJJSDVCMNVAD-JXFKEZNVSA-N 451.549 -0.291 50 20 JBGD CC(C)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCS(=O)(=O)CC3)CCO2)C1 1832483075 FIJMLKBNOUCEDT-LJQANCHMSA-N 466.000 -0.562 50 20 JBGD C[C@@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCS(=O)(=O)CC3)CCO2)C1 1832483826 RUJUVMGSTHQQGP-MAUKXSAKSA-N 496.424 -0.796 50 20 JBGD O=C(Cn1cc([N+](=O)[O-])cn1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1832799811 DFPVNIKTYFHOTR-HIFRSBDPSA-N 464.248 -0.062 50 20 JBGD N[C@@H](C(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1)c1ccccn1 1834797888 IMSYLTILSZVDLI-JOCHJYFZSA-N 465.363 -0.353 50 20 JBGD O=C(CCN1CCOCC1)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1835447990 IDTGDBYXXNBUSG-NVXWUHKLSA-N 452.321 -0.144 50 20 JBGD C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1)n1ccccc1=O 1837691139 HRAMSTYRWLFVLV-VGSWGCGISA-N 463.535 -0.761 50 20 JBGD COc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)c(O)c1 1838888177 RYXQIQQHCBBMNF-HSZRJFAPSA-N 470.287 -0.536 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839202984 VWKCBVIUOQCLKD-GOEBONIOSA-N 453.309 -0.494 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)c1cc(O)ccc1O)CCO2 1839447004 CZPJVWHEEWUAOI-QFIPXVFZSA-N 456.260 -0.839 50 20 JBGD Cc1ccn2c(C(=O)N3CCO[C@@]4(COCCN(C(=O)c5ccc(B(O)O)cc5)C4)C3)cnc2c1 1839601304 QWIOZGLVFIUMAC-XMMPIXPASA-N 478.314 -0.294 50 20 JBGD CC[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1839964365 PLURQOSUSGIAIM-APWZRJJASA-N 469.141 -0.390 50 20 JBGD CC[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3C(=O)C=CC3=O)CCO2)C1 1840264033 FHFLDLSBZMRQLI-FZKQIMNGSA-N 458.309 -0.459 50 20 JBGD CN(CC(=O)N1CC2(CCCN2C(=O)CCN2C(=O)C=CC2=O)C1)NC(=O)NCc1ccccc1 1841757441 DYHUPKVYUBTUBF-UHFFFAOYSA-N 482.541 -0.149 50 20 JBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)[C@@H]3CC(=O)N(CCN4CCOCC4)C3)cc2)CC1 728216130 SBGBTCZOQXLZEI-GOSISDBHSA-N 494.618 -0.754 50 20 JBGD COc1ccc(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc1S(=O)(=O)NC1CCCC1 729277229 WKCDDJWPZMRCJN-NSHDSACASA-N 462.550 -0.385 50 20 JBGD CC(C)NC(=O)C(=O)NNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Br 744447365 DEGCAGGMNLQOSF-UHFFFAOYSA-N 477.337 -0.244 50 20 JBGD CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NNC(=O)C(=O)N3CCCC3)CC2)o1 748241324 WJRPYTZZNNBHDU-UHFFFAOYSA-N 470.504 -0.373 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3ON=C(c4ccccc4)O3)C2)C1 1778874684 MUGZZMUUVWERRR-FGZHOGPDSA-N 459.503 -0.076 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cnc3c(c1)NC(=O)CS3)CCO2 1783937637 WZUMVHRESAJSOZ-NRFANRHFSA-N 476.559 -0.058 50 20 JBGD O=C(CCBr)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(=O)n4[nH]nnc4n3)C[C@@H]21 1786406159 VIFDOMBQLQMRHW-NHCYSSNCSA-N 454.285 -0.809 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3Cc4ccccc4O3)C[C@@H]21)c1ccc(B(O)O)cc1 1786979804 RFEVXKLHFFAZPV-UDDWMFPDSA-N 450.300 -0.037 50 20 JBGD Cc1cn2c(=O)c(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)c5cccc(B(O)O)c5)C[C@@H]43)cnc2s1 1788036181 SEYLAFIIARIDRW-SNRMKQJTSA-N 496.354 -0.349 50 20 JBGD CS(=O)(=O)N1CCC(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](O)CCl)C[C@@H]32)CC1 1788109503 MQLBSQKQJLOASA-VGWMRTNUSA-N 451.973 -0.763 50 20 JBGD COc1ccc([C@H](O)C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)cc1 1797748135 JIKZBUZOIODIQX-VZJWBNGJSA-N 469.498 -0.370 50 20 JBGD COC(=O)[C@H]1CC=CC[C@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1800955783 SJKGPTOELCVCAF-IHRRBPCASA-N 471.514 -0.356 50 20 JBGD CCS(=O)(=O)N[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807359245 GJHMGAYBEVGBDH-MOXGXCLJSA-N 488.375 -0.591 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H](CNC(=O)[C@@H]2C[C@H](O)CN2)[C@@H]1c1cccnc1 1807694839 GIWKOBOVPBXVGT-SMRZIQSBSA-N 467.530 -0.056 50 20 JBGD CN(CC(=O)N1CC[C@H](CNC(=O)[C@@H](N)CN)[C@H]1c1cccnc1)NC(=O)NCc1ccccc1 1808266128 DMMVOUQPUMESIT-RZUBCFFCSA-N 482.589 -0.280 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCC([C@@H]2CCCCN2C(=O)[C@H](O)N2CCOCC2)CC1 1828965528 FJPPTKLBMWEISV-UNMCSNQZSA-N 459.352 -0.750 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(Cl)cnc1O)CCO2 1829560212 ICEHVEKSOJPBNC-OAQYLSRUSA-N 475.694 -0.496 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCC(N2CCC(NC(=O)CN3CCOC3=O)CC2)CC1 1833386507 CASQNAURKOFREK-UHFFFAOYSA-N 473.534 -0.678 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)c1ccccc1)CCO2 1835298695 PNGKIPJAXHIDIF-AUSIDOKSSA-N 469.498 -0.511 50 20 JBGD Cc1cc(C)n(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)n1 1835939522 ABKALXLBCAOGDO-HSZRJFAPSA-N 470.335 -0.660 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccn3cncc13)CCO2 1837109582 PDQHJYWVGUQDAY-HSZRJFAPSA-N 464.287 -0.602 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(Cl)nn3)C2)C1 1837458847 FNASDUOLSHUDBC-HXUWFJFHSA-N 475.893 -0.488 50 20 JBGD CNC(=S)NCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839200985 ULFDLDZOTYSCPP-DOMZBBRYSA-N 455.350 -0.383 50 20 JBGD O=C(COc1ccccc1F)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1839969013 UANUCRFIGDBDGB-QHCPKHFHSA-N 472.278 -0.346 50 20 JBGD C[C@H](Oc1cccnc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1840453563 KIUIMEIJPMOEMQ-HJPURHCSSA-N 484.513 -0.382 50 20 JBGD O=C(NCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1)c1ccccc1 1840799923 WRWBXLGJBDURAT-RUZDIDTESA-N 495.341 -0.744 50 20 JBGD CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843012037 XOSJPBCWXYACDZ-QGZVFWFLSA-N 461.324 -0.541 50 20 JBGD CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2ccc(B(O)O)cc2)[C@@H](O)C1 1847233615 BPLJFJGMWVXGOL-FYQPLNBISA-N 487.362 -0.200 50 20 JBGD O=C(CC(F)(F)C(=O)O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2 1778011020 WEEQECASVXLVRL-DNVCBOLYSA-N 454.235 -0.396 50 20 JBGD Cc1c(C(=O)N2CCO[C@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)cn2[nH]cnc(=O)c12 1783935914 YEUWVSBCMWTCCH-NRFANRHFSA-N 459.507 -0.852 50 20 JBGD COc1nn(C)cc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C(C)=N/NC(=O)c1ccc[nH]1)C2 1794581274 PIRMETOQJBDIDJ-NDMOTNCASA-N 457.491 -0.234 50 20 JBGD Nc1c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)sc2nccnc12 1795703926 DVTXOVOEJMLSOB-YWVIFJGQSA-N 467.316 -0.530 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CC(=O)N(C3CCCC3)C1)C2)c1cccc(B(O)O)c1 1795737331 SMCIWJDVSNKGOM-QSNWEANLSA-N 469.347 -0.639 50 20 JBGD COC(=O)c1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)s1 1795739767 LHPQMTSJEDGJPW-YVWYUNDQSA-N 472.328 -0.340 50 20 JBGD Cn1c(=O)c2c(ncn2CC(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@H](O)CCl)[nH]n2)n(C)c1=O 1815797246 ICCLVDMZQVYOMK-QWHCGFSZSA-N 492.924 -0.551 50 20 JBGD COC[C@H](NC(C)=O)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1819607363 GAQLNBWDAABRKG-ZWKOTPCHSA-N 457.296 -0.454 50 20 JBGD COC[C@@H](NC(C)=O)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cnccc2C(=O)NN)[nH]n1 1819611364 YGMJAKVDEHTFIM-SJORKVTESA-N 472.506 -0.135 50 20 JBGD NCC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCN2C(=O)OCc1ccccc1 1829001609 YRQQGGPIMXDERT-DEOSSOPVSA-N 480.330 -0.609 50 20 JBGD O=C(COc1ccc(O)cc1)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1830342263 GFBXEYXEXQDKBB-HSZRJFAPSA-N 470.287 -0.779 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cc(C)n(C)n3)CCO2)C1 1830950490 OFTJEPSWHCSLEM-VAHWYXDJSA-N 485.545 -0.139 50 20 JBGD Cc1cccnc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1831834271 VFXFLUXVTWPBSW-QFIPXVFZSA-N 454.487 -0.228 50 20 JBGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CCNC(=O)c3ccc[nH]3)CCO2)C1 1832881777 SFZJBEVKXIUJND-MGPUTAFESA-N 456.927 -0.155 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnccc1N(C)C)CCO2 1833665869 JAHQCJMXNCMFLE-QFIPXVFZSA-N 462.551 -0.409 50 20 JBGD COc1cnc(C(=O)NC2CCN(C3CCN(C(=O)c4cccc(B(O)O)c4)CC3)CC2)cn1 1834314805 HNXBVAPOHGCDRK-UHFFFAOYSA-N 467.335 -0.336 50 20 JBGD C[C@H](C(=O)N1CCC(N2CCC(NC(=O)c3cccc(B(O)O)c3)CC2)CC1)n1cncn1 1834801501 PWVGNQLWBPVVFY-MRXNPFEDSA-N 454.340 -0.596 50 20 JBGD CN[C@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)CBr)C2)C1)C(=O)O 1835752845 UZVZGVIPCOCQJV-PBFPGSCMSA-N 450.330 -0.464 50 20 JBGD O=C(CC12CCCN1CCC2)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835931063 FCXVPVNFPKXMPF-DEOSSOPVSA-N 471.363 -0.545 50 20 JBGD O=C(c1cnc(Cl)nc1)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835933822 GKALPPXGFIRMCX-FQEVSTJZSA-N 460.683 -0.806 50 20 JBGD O=C(C1=NO[C@H](c2ccccc2)C1)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1836588307 WPXOWBSVBZWFKA-WIOPSUGQSA-N 493.325 -0.046 50 20 JBGD C[C@H](CBr)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)N1CCOCC1)CCO2 1837512389 JTGMEVYVYJXDCX-UWWQBHOKSA-N 464.357 -0.876 50 20 JBGD C[Si](C)(C)OCC(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCS(=O)(=O)CC3)C2)C1 1837710148 LGSWKNCVZSFRNG-LJQANCHMSA-N 477.656 -0.975 50 20 JBGD C[Si](C)(C)OCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1837715341 LMLKHBHTPPRRBS-FQEVSTJZSA-N 465.583 -0.393 50 20 JBGD CN(C)c1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)cc1 1838962134 CMTOYRYMYWIFAA-XMMPIXPASA-N 467.331 -0.184 50 20 JBGD C[C@H](NC(=O)c1cnccn1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)Br)CCO2 1840034035 YLBCHTXWPZJXSS-BIENJYKASA-N 484.351 -0.165 50 20 JBGD CC[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)CN3C(=O)C=CC3=O)CCO2)C1 1840264035 FHFLDLSBZMRQLI-UGSOOPFHSA-N 458.309 -0.459 50 20 JBGD COc1cc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)ccc1OCC(N)=O 24153951 OLLXDIQSZBGLPL-UHFFFAOYSA-N 492.510 -0.345 50 20 JBGD COC(=O)C12CC(C(=O)N3CCO[C@@]4(CCN(C(=O)c5cnccc5C(=O)NN)C4)C3)(C1)C2 1779033855 FYDRTFDRQVYQKY-LZBANZJXSA-N 457.487 -0.528 50 20 JBGD COC(=O)c1ccc(OCC(=O)N2CCO[C@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)cc1 1779035176 AIZCVXREWHKRDL-XMMPIXPASA-N 497.508 -0.006 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)c3cccc(-n4cncn4)c3)C2)C1 1782014067 COUNSBCSJMOBIZ-HSZRJFAPSA-N 461.287 -0.296 50 20 JBGD O=C1CC[C@@H](C(=O)N2CSC[C@@H]2C(=O)N2CCO[C@@]3(CCN(C(=O)C(Cl)Cl)C3)C2)N1 1783949283 IWEFRZITZUFNCZ-VNBZBWLYSA-N 479.386 -0.200 50 20 JBGD COC(=O)c1ccc(OCC(=O)N2CC[C@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)cc1 1785719896 MLPRMHWENADRRH-DEOSSOPVSA-N 482.298 -0.325 50 20 JBGD COc1ccc(CCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)cn1 1786980113 KHWWANNYVDOWBC-JBACZVJFSA-N 467.331 -0.004 50 20 JBGD C[C@@H]1Oc2ccc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)c5cccc(B(O)O)c5)[C@H]4C3)cc2NC1=O 1786984855 RDBVOGZMYFSLLR-DHKPLTOSSA-N 493.325 -0.007 50 20 JBGD CC[S@](=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1 1788611245 QPLSELWXEHXMPB-YOZJXMOJSA-N 451.549 -0.563 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@@H]2CCC(=O)N2C1 1799149168 WVEPELGZXYBMIF-FBSOPKPWSA-N 470.530 -0.711 50 20 JBGD C[C@H](NC(=O)c1cnccn1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)Br 1800758982 BLQZYADVAHBDGS-GEJOOGBSSA-N 454.325 -0.032 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@H]1CCN(C(=O)CCc2nc(N)n[nH]2)[C@@H]1c1cccnc1 1810303298 SZGHACZVJHOFJR-AUUYWEPGSA-N 478.517 -0.267 50 20 JBGD Cc1nn[nH]c1C(=O)NC1CCN(C2CCN(C(=O)c3cnccc3C(=O)NN)CC2)CC1 1834932420 AIIHDKXQNOMLRW-UHFFFAOYSA-N 455.523 -0.389 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)c3cccc4ccnn34)C2)C1 1835932112 OCUXWWSBNRTOHS-HSZRJFAPSA-N 464.287 -0.602 50 20 JBGD O=C(c1ccc(CO)c(F)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835942164 ZRFKUFBLVNRVEA-HSZRJFAPSA-N 472.278 -0.618 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ncccc1F)CCO2 1838249431 WICQWDOWOSCLMC-OAQYLSRUSA-N 458.450 -0.397 50 20 JBGD C[C@H](NC(=O)c1cnccn1)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](F)Br)CCO2)C1 1839200578 MMTZAOIGCXHOLF-WRSAYESZSA-N 488.314 -0.258 50 20 JBGD CCN(CC)C[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840185037 JXDKRHWWLWKADE-XMSQKQJNSA-N 455.600 -0.206 50 20 JBGD CCOC(=O)N1CCC(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)CC1 1840816600 CBQJTRDAAKWMFT-JXFKEZNVSA-N 461.943 -0.089 50 20 JBGD CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843012560 ARPWXCYWPQKDEE-QGZVFWFLSA-N 489.334 -0.360 50 20 JBGD CN(CC(=O)N1CCCC12CN(C(=O)CC[C@H](N)C(N)=O)C2)NC(=O)NCc1ccccc1 1845038832 YPXFNCNQEIDWOX-KRWDZBQOSA-N 459.551 -0.871 50 20 JBGD CN(CC(=O)N1CCCC12CN(C(=O)CCc1nc(N)n[nH]1)C2)NC(=O)NCc1ccccc1 1845038867 BSGLHEOMFCPAFD-UHFFFAOYSA-N 469.550 -0.131 50 20 JBGD Cn1c(CCC(=O)NNC(=O)CN2CCCC2=O)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 789856925 OABJZTRYDYXENC-UHFFFAOYSA-N 492.558 -0.703 50 20 JBGD O=C(CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)NNC(=O)CN1CCCC1=O 789858366 WUMTVQNJSYJGNE-UHFFFAOYSA-N 465.532 -0.931 50 20 JBGD COc1cc(C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)ccc1OCC(N)=O 791885520 QMBADKZFRIDFHW-KRWDZBQOSA-N 459.411 -0.297 50 20 JBGD CCOC(=O)N[C@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C(C)=N/NC(=O)c3ccc[nH]3)[C@H]2C1 1787508470 JYFHNAYCFGRLLD-UZUNWLJYSA-N 478.506 -0.835 50 20 JBGD Cc1nn2cc(CC(=O)N3CC[C@H]4CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]4C3)nc2s1 1791288081 VQXXMOOUWRLLRL-XIRDDKMYSA-N 477.591 -0.006 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CC(=O)NC1=O 1793834714 JIKXJPQYRAVVAL-DBWKPXFBSA-N 489.441 -0.725 50 20 JBGD CN(CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnn(C)c1)NC(=O)NCc1ccccc1 1794751942 JVYFAPXHDQTCKO-CEQLMSFQSA-N 469.546 -0.031 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@@H]1COc3ccccc3O1)C2)c1ccc(B(O)O)cc1 1795732695 AXZXUZINIUHCPZ-PDPLOHQNSA-N 466.299 -0.200 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc3cc([N+](=O)[O-])ccc3[nH]1)C2)c1ccc(B(O)O)cc1 1795735926 KIPLDIFEBIJFFK-HBCWATKFSA-N 479.258 -0.332 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(-n3cncn3)c1)C2)c1ccc(B(O)O)cc1 1795736231 OYXNJANUOHEMOJ-RMFSNUHRSA-N 461.287 -0.536 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(Br)nc1)C2)c1cccc(B(O)O)c1 1795739685 AJMKZVINBVZRIX-CWPLJXCYSA-N 488.147 -0.030 50 20 JBGD COc1cc(OC)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)c1 1795739717 FLELFADPEUIHGA-UPHUGPLXSA-N 454.288 -0.099 50 20 JBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(O)c([N+](=O)[O-])c1)C2 1797753115 TXMMZIASJNBBNP-IVWMJMPLSA-N 470.442 -0.184 50 20 JBGD Cn1c(=O)c2c(CC(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)[C@H](F)Cl)C4)csc2n(C)c1=O 1799064638 WYAWIJPSIHOXMA-JLUCKKNBSA-N 472.926 -0.035 50 20 JBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@]1(NC(=O)OC(C)(C)C)CCOC1 1799333578 LEHNYTJIVBHWRP-KOCGSJPCSA-N 497.593 -0.367 50 20 JBGD C[C@@H](Oc1cccnc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1801401347 CVMFNVCXRGPICX-BKEDOTJMSA-N 454.487 -0.249 50 20 JBGD CCNC(=S)NCC(=O)N1CC[C@H](CNC(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1810304884 GVIKSWGKTZWOLQ-DNVCBOLYSA-N 484.586 -0.116 50 20 JBGD CCS(=O)(=O)N[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1815162700 KZQBYPTVLXRGJO-SUMWQHHRSA-N 477.352 -0.277 50 20 JBGD O=C(CCN1CCOC1=O)N[C@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815344278 QZYWZXCQHWTGLL-AWEZNQCLSA-N 458.305 -0.109 50 20 JBGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1)[C@H](O)N1CCOCC1 1819444652 ZDXPPGOIDJRKOO-UWJYYQICSA-N 457.296 -0.954 50 20 JBGD Cc1ccn2c(=O)c(C(=O)N3CCOC[C@]4(C3)CN(C(=O)[C@@H](O)CCl)CCO4)cnc2c1 1830728017 NDAAGZMEIZRLKC-KKSFZXQISA-N 464.906 -0.327 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)Cc3cncnc3)CC2)CC1)c1ccc(B(O)O)cc1 1834797402 INJVXVHTNPXIEE-UHFFFAOYSA-N 451.336 -0.416 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)c3ccnc4c3OCO4)CC2)CC1)c1cccc(B(O)O)c1 1834801287 WEBRXLLZJUENLU-UHFFFAOYSA-N 480.330 -0.011 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)c3cccn4cncc34)C2)C1 1835930193 ATGCVBKLOLQXAO-HSZRJFAPSA-N 464.287 -0.602 50 20 JBGD C[C@@H]1CCc2c(C(=O)N3CCOC[C@]4(CN(C(=O)c5ccc(B(O)O)cc5)CCO4)C3)n[nH]c21 1835930570 NMCXKKNPUJIHGD-CMJOXMDJSA-N 468.319 -0.477 50 20 JBGD O=C(CCc1ccc(O)nn1)NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1836502477 VRSMWYJBESAKSC-UHFFFAOYSA-N 481.362 -0.320 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1Cc3ccccc3O1)CCO2 1836654053 MGLGNBHBSUHDDH-WMZHIEFXSA-N 460.531 -0.181 50 20 JBGD O=C1NCCCn2nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)[C@H](F)Br)C4)C3)cc21 1836781612 UKMJCVBSQOXTKH-KSSFIOAISA-N 488.314 -0.223 50 20 JBGD CCS(=O)(=O)N[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1 1836846041 GCDVDKVKXQVEBP-MRXNPFEDSA-N 489.639 -0.314 50 20 JBGD C[C@H]1CCc2c(C(=O)N3CCOC[C@]4(CN(C(=O)c5cnccc5C(=O)NN)CCO4)C3)n[nH]c21 1837459439 PAWYHZXOZCLVFF-PSLXWICFSA-N 483.529 -0.158 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1nccnc1C)CCO2 1838213997 YKXJDSDMWCSSKM-SYOQMXFQSA-N 469.502 -0.011 50 20 JBGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)C[C@H](O)CNC(=O)OC(C)(C)C)CCO2)C1 1839210610 WDCBHMWNYIJDRA-QYWGDWMGSA-N 493.985 -0.028 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc([N+](=O)[O-])cc1F)CCO2 1839277914 REFBGOXBLYWRJT-QFIPXVFZSA-N 487.249 -0.203 50 20 JBGD Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)nc2nccn12 1839549752 JBBIVIFUSDHBHI-QFIPXVFZSA-N 473.534 -0.519 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1Cc3ccccc3N1)CCO2 1839736083 UJNBHLFNCCCLDZ-GBXCKJPGSA-N 480.525 -0.208 50 20 JBGD O=C(CCBr)N1CCOC[C@]2(C1)CN(C(=O)CNC(=O)C(F)(F)F)CCO2 1840202402 UDCQNOAQXZNKJO-AWEZNQCLSA-N 460.247 -0.094 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC12CN(C(=O)c1cc3n(n1)CCNC3=O)C2 1843415678 ZZZIDFHPVYYEPE-ZMOGYAJESA-N 452.475 -0.423 50 20 JBGD CN(CC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)[C@H]1CCS(=O)(=O)C1 914532979 YMGZOVLUKNWRGE-HNNXBMFYSA-N 458.562 -0.649 50 20 JBGD COCCCNC(=O)NNC(=O)c1cc(S(=O)(=O)N2CCOCC2)cc(OC)c1OC 920863042 SZGLGTPMMOWZQX-UHFFFAOYSA-N 460.509 -0.295 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccn3c(O)nnc13)C2 1782212120 WAKQUMKZTFGYKM-OPAMFIHVSA-N 473.534 -0.065 50 20 JBGD C[C@H](CC(N)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN(C)NC(=O)NCc3ccccc3)C[C@@H]21 1784600084 KKFINOKDGSOHHC-GTAWCEEGSA-N 488.589 -0.176 50 20 JBGD O=C(CSc1ncccn1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1787072739 LSSHRANITPJJPQ-SZMVWBNQSA-N 456.333 -0.458 50 20 JBGD CC(C)(C)OC(=O)N1CC[C@H]2C[C@]21C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795740953 ROPOSDQEQCIYOI-QRSWUFQOSA-N 499.373 -0.031 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2nncn2c1 1797463190 OIXQFECWCZBAGN-ZSBFGKGUSA-N 450.459 -0.755 50 20 JBGD C[C@H](Cn1cncn1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN(C)NC(=O)NCc1ccccc1)C2 1797899862 VLKZJRHVUHVDAR-RPUPUWCGSA-N 498.588 -0.150 50 20 JBGD CCS(=O)(=O)N[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1803505671 BDAFGQRXUWNMOF-OXFYSEKESA-N 482.607 -0.212 50 20 JBGD CN1CCN(CCC(=O)NC[C@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)CC1 1806910477 DOZJPUPNWCRZTQ-QPPBQGQZSA-N 479.390 -0.282 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1CCN(C(=O)C2=NNC(=O)C2)[C@H]1c1cccnc1 1810303596 WKZYPYBPTWSOOA-UGSOOPFHSA-N 450.459 -0.724 50 20 JBGD CCOC(=O)N[C@H](O)C(=O)N1CC[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1813073007 JAMOPVVKPQXEHZ-ZYSHUDEJSA-N 464.523 -0.475 50 20 JBGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)[C@H]2CCCS2(=O)=O)[nH]n1)c1cccc(B(O)O)c1 1817476903 GSJGDXNTPBSZKF-DLBZAZTESA-N 460.321 -0.027 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CNC2=O)CC1 1824905376 YMWZAWWUONKZPH-MRXNPFEDSA-N 450.540 -0.469 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCC(N2CCC(NC(=O)Cn3cncn3)CC2)CC1 1834872889 YTTRFVIYOBVMDI-UHFFFAOYSA-N 455.523 -0.838 50 20 JBGD COCCOCC(=O)N1CCO[C@]2(COCCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C2)C1 1835245275 QTTPBANAZDEXCU-BQNPTPDXSA-N 465.507 -0.760 50 20 JBGD CC(=O)N1CCN(CC(=O)NC2CCN(C3CCN(C(=O)[C@@H](O)CCl)CC3)CC2)CC1 1835510455 NADCGEVXJQWQJN-IBGZPJMESA-N 458.003 -0.678 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)[C@@H](O)CCl)CC2)CC1)c1cc(=O)nc2cccnn12 1836100080 ZLZVXDPORFUBJB-KRWDZBQOSA-N 462.938 -0.126 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc3[nH]ccc3n1)CCO2 1836903292 DOCUQHJCKPZNFT-HSZRJFAPSA-N 464.287 -0.374 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)c1cn3cc(F)ccc3n1)CCO2 1836959692 ZNKFMYWQTUOPEE-QHCPKHFHSA-N 482.277 -0.463 50 20 JBGD Cc1noc(C)c1CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnccc1C(=O)NN)CCO2 1837456864 OKDYZKCSFHFMTC-QHCPKHFHSA-N 486.529 -0.007 50 20 JBGD Cn1nc(C(F)(F)F)cc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1838078202 CTFGQOWPMDUFMH-HXUWFJFHSA-N 496.251 -0.498 50 20 JBGD Cc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)c1 1839451652 HSQUHJAWQHOKPA-XMMPIXPASA-N 463.299 -0.070 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)C(F)(F)c1ccco1)CCO2 1839689656 QHAZGQTXNSRVOZ-HXUWFJFHSA-N 464.230 -0.179 50 20 JBGD COCCOCCOCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](Cl)COC)C2)C1 1840077917 SPNHODPIOZJCIS-PXNSSMCTSA-N 466.959 -0.234 50 20 JBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)C[C@H](O)CNC(=O)OC(C)(C)C)C2)C1 1840155252 VGWGTBDOOVYNNI-QYWGDWMGSA-N 493.985 -0.028 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)nc(Cl)c3)C2)C1 1840183411 CNUZCCGHXHVCKM-HXUWFJFHSA-N 469.926 -0.116 50 20 JBGD O=C(c1ccc(N2C(=O)C=CC2=O)cc1)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1840770943 UBOJRNWXEREWIW-VGOFRKELSA-N 477.901 -0.214 50 20 JBGD COc1cc2c(cc1OC)[C@@H](CC(=O)NNC(=O)CN1CSCC1=O)N(S(C)(=O)=O)CC2 726104586 SSMFZVDTDSCZRN-CQSZACIVSA-N 486.572 -0.367 50 20 JBGD COC[C@H](NC(C)=O)C(=O)N1CC[C@@]2(CN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)CCO2)C1 1779312371 GDLRNCLQNDKJRO-NXUSNIPQSA-N 462.507 -0.899 50 20 JBGD CC[C@H](Br)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CN(CCO)CCO)C1 1781840528 BCPZSEZBIOCGGO-FRQCXROJSA-N 464.401 -0.040 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H]1COCCN1C(=O)OC(C)(C)C)CCO2 1783933013 AHXQAPGSWSDFKQ-UZUQRXQVSA-N 497.593 -0.175 50 20 JBGD O=C(CCNC(=O)c1ccccc1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1792120350 IUKYOZDQRARPSS-BVSLBCMMSA-N 479.342 -0.220 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)[C@H]1CCc2ccccc2[C@H]1O 1793035188 JTGZFCWCNORNPH-HYEPPUOFSA-N 464.327 -0.134 50 20 JBGD O=C1CC(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)=Cc2ccccc2N1 1798437477 IDIQITHWCYYQMA-BBIADKPPSA-N 475.310 -0.005 50 20 JBGD Cc1cn(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cnccc2C(=O)NN)C3)c(=O)nc1O 1804093449 JPRTXBJPOFOYIO-BTTYYORXSA-N 455.475 -0.792 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCC2(CCCN(C(=O)C[C@@H]3NC(=O)NC3=O)C2)CC1 1806847721 CAGKCDZGHXQCNZ-HNNXBMFYSA-N 457.491 -0.872 50 20 JBGD O=C(CN1CCOCC1)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1806904855 WJRCRIQFUHLODV-KNQAVFIVSA-N 452.320 -0.587 50 20 JBGD CC(=O)OC[C@H](OC(C)=O)C(=O)NC[C@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1 1810340075 FNUUQPPUJWRFRD-DXIQSLLYSA-N 491.545 -0.045 50 20 JBGD Cc1cc(C(=O)NCC(=O)N[C@@H]2CCc3nc(NC(=O)c4ccc(B(O)O)cc4)sc3C2)no1 1815344109 IHVGAOXAOVSLPZ-CQSZACIVSA-N 483.315 -0.225 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCC([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827050723 FMMSPAVWJIIMOW-JOCHJYFZSA-N 464.136 -0.407 50 20 JBGD C[C@H](NNc1ccccc1)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1829807105 IFWGTJDUPGUJIB-MHECFPHRSA-N 482.346 -0.558 50 20 JBGD CN[C@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)CBr)CCO2)C(=O)O 1830538066 VATAHFSXWSYECU-XNJGSVPQSA-N 450.330 -0.464 50 20 JBGD C[C@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3ccncc3=O)C2)C1 1830543773 CNRUIISSBTWDJU-KDOFPFPSSA-N 457.325 -0.269 50 20 JBGD Cn1c(C(=O)NC2CCN(C3CCN(C(=O)c4cnccc4C(=O)NN)CC3)CC2)cccc1=O 1834085707 MNKFOZKPFOHQQO-UHFFFAOYSA-N 481.557 -0.117 50 20 JBGD CC1CCN(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)CC1 1835927500 QHFMOOYYMJSTOB-QHCPKHFHSA-N 459.352 -0.832 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)c3ccc(OC(F)F)cn3)C2)C1 1835935227 IZYBIQPMFRXLIJ-JOCHJYFZSA-N 491.256 -0.253 50 20 JBGD COc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)c(O)c1 1838888028 JPBVCRAGOXSCKO-QHCPKHFHSA-N 470.287 -0.536 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(O)c(F)c3)CCO2)C1 1839304770 ZUEANYPJARGUPK-JOCHJYFZSA-N 473.461 -0.086 50 20 JBGD CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)N1CC2(CCCN2C(=O)c2cnccc2C(=O)NN)C1 1844264743 CHEYZMVVAPIQRN-MRXNPFEDSA-N 476.534 -0.222 50 20 JBGD COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)NNC(=O)C(=O)N2CCCC2)c1OC 748246590 MIFZIYBFCYRDLH-UHFFFAOYSA-N 470.504 -0.892 50 20 JBGD CCn1cnc2c1c(=O)n(CC(=O)NNC(=O)CCn1cccn1)c(=O)n2Cc1ccccc1 918254158 AAVCMSSTLXRHHL-UHFFFAOYSA-N 464.486 -0.138 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](CO)NC(=O)OC(C)(C)C)C1 1777966268 IPHXFLAESFKLRG-YGKZAACZSA-N 499.609 -0.241 50 20 JBGD CN(CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)C(=O)OC(C)(C)C 1786624635 UQEOEPCRBDPZMA-WDSOQIARSA-N 475.351 -0.173 50 20 JBGD COc1ccnc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)c1OC 1789411242 ZPSJJWHRFHBDFO-IEZWGBDMSA-N 469.303 -0.314 50 20 JBGD O=C(/C=C/C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)NCc1ccccc1 1792940491 NQVCHZSZFGWHNX-FDXFOXQZSA-N 477.326 -0.558 50 20 JBGD CC(C)(C)c1cnc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)cn1 1795738959 MWKQYHUBFMOILQ-CWPLJXCYSA-N 452.320 -0.029 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807375482 PEKQDAVWBBISFO-UTKZUKDTSA-N 488.313 -0.607 50 20 JBGD CC(C)(C)OC(=O)N[C@H](O)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1811506320 BNMDSIQLVBLHFQ-HFSMHLIXSA-N 498.345 -0.076 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)Cn2ccncc2=O)[C@H]1c1cccnc1 1812345182 LSVPQDFXQHIMMI-HTAPYJJXSA-N 455.519 -0.283 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCC([C@H]2CCCCN2C(=O)[C@H](O)N2CCOCC2)CC1 1828965524 FJPPTKLBMWEISV-IRLDBZIGSA-N 459.352 -0.750 50 20 JBGD COc1ncc(Cl)cc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1829584175 JWAMKZTVUDBBSS-QFIPXVFZSA-N 489.721 -0.193 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccnc(F)c3)CCO2)C1 1831902580 KIZLHBHGTDEGJZ-OAQYLSRUSA-N 458.450 -0.397 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)c1ncc(F)cc1F)CCO2 1831962284 VPYBXWZEMFMWJP-NRFANRHFSA-N 461.230 -0.577 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(=O)n1O)CCO2 1833471211 CBYDRAWNJHTGBG-VCOZGABYSA-N 486.485 -0.710 50 20 JBGD CO[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1)c1ccccc1 1834922027 AOOLEJQSSTXIKN-ZJSXRUAMSA-N 468.315 -0.176 50 20 JBGD C[Si](C)(C)OCC(=O)N1CCOC[C@]2(CN(C(=O)CNCP(=O)(O)O)CCO2)C1 1835539731 VMUGPDXHEPACMZ-INIZCTEOSA-N 453.505 -0.981 50 20 JBGD C[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1)n1cccc1C=O 1835928636 UBKYJAHOYFRORV-GAJHUEQPSA-N 469.303 -0.688 50 20 JBGD CCn1nc(C)cc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835928727 WWNLPWHGWUEQFJ-JOCHJYFZSA-N 456.308 -0.725 50 20 JBGD CCc1nn(C)c(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)c1Cl 1835935253 KJDCHNIEJCORHZ-JOCHJYFZSA-N 490.753 -0.301 50 20 JBGD Cc1ncc(/C=C/C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)s1 1835940156 XCRATQCVTPLEOA-BDNZGDGKSA-N 471.344 -0.085 50 20 JBGD O=C(c1cc(=O)nc2cccnn12)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1838501466 GSTBQBQGJUPCAJ-CRAIPNDOSA-N 484.282 -0.150 50 20 JBGD CN(CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn(C)c3)C2)C1)NC(=O)NCc1ccccc1 1839054128 ILYGJZLEPXONQW-DEOSSOPVSA-N 499.572 -0.164 50 20 JBGD CN1CCN(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@](C)(Cl)CCl)CCO3)CC1 1839152863 MTVNSXFIWIDEFO-OALUTQOASA-N 451.395 -0.074 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(CN(C(=O)CSCC(=O)O)CCO2)C1 1840192629 SHVNPYOIXMQXJZ-ISXGRJCASA-N 481.531 -0.605 50 20 JBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@H]2CCCO2)c1 729275281 MYYSANSFYXWEOP-CMPLNLGQSA-N 482.968 -0.504 50 20 JBGD CCn1cnc2c1c(=O)n(CC(=O)NNC(=O)[C@H]1CC(=O)N(C)C1)c(=O)n2Cc1ccccc1 914755781 XIXXJQJTTIZNCD-HNNXBMFYSA-N 467.486 -0.946 50 20 JBGD C[C@@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)C2)[C@@H]1SC(=N)NC1=O 1778084056 ULPPLKRMFUVUEG-COESMTMPSA-N 482.607 -0.324 50 20 JBGD Cc1ccc(=O)n(C(C)(C)C(=O)N2CC[C@@]3(CN(C(=O)c4cnccc4C(=O)NN)CCO3)C2)n1 1779236205 BXMKQAXFILIBCU-HSZRJFAPSA-N 483.529 -0.571 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@]2(CCN(C(=O)COCCO)C2)C1 1781317649 BTZDNLOVIGZKTA-FQEVSTJZSA-N 451.432 -0.028 50 20 JBGD O=C1CC[C@@H](C(=O)N2CSC[C@@H]2C(=O)N2CC[C@]3(CN(C(=O)C(Cl)Cl)CCO3)C2)N1 1782873362 RAXYRZFMLWLFDF-VNBZBWLYSA-N 479.386 -0.200 50 20 JBGD Cc1cc(NC(=O)CC(=O)N2CCO[C@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)no1 1783934348 FLNISTUXYCYDDM-FQEVSTJZSA-N 450.496 -0.485 50 20 JBGD CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]3C2)C1 1784095336 BEBJCKXFGXLBER-GVZUZGFXSA-N 475.970 -0.062 50 20 JBGD C[C@H](NC(=O)c1ccccc1)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1785555964 FXHSOOKDVJFDMU-XDHUDOTRSA-N 465.315 -0.372 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NN(C)C(=O)CC3)C[C@@H]21 1787506533 DLDUMLJLMKNFGG-ARQYOALSSA-N 471.518 -0.292 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COC(=O)C(F)(F)F)[C@H]2C1 1788532330 AOUNKEHSJJIEAE-AVGNSLFASA-N 452.430 -0.555 50 20 JBGD C[C@@H](O)[C@H](NC(=O)c1ccccc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)CCl 1792975814 ZAJVGDMPAMICJA-HMGSXCDBSA-N 453.923 -0.645 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC(F)(F)C(=O)O)C2 1796440449 MEDYUGLQUYLVPL-IGRYJHFFSA-N 455.418 -0.180 50 20 JBGD O=C(CN1CCOCC1)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1806904770 VSENSBBMYKREJS-DENIHFKCSA-N 452.320 -0.587 50 20 JBGD CN[C@H](CC(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1)C(=O)O 1807205298 KYNILJCNAHDHNF-YVWKXTFCSA-N 454.292 -0.856 50 20 JBGD O=C1CC[C@H](C(=O)N2CC[C@H](CNC(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)CN1 1807366071 SBGMTHUIEDPDAA-LQWHRVPQSA-N 450.304 -0.393 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)Cn1cnnn1)CC2 1817279825 HTYOOJFGPMTISN-BPDROILWSA-N 456.492 -0.124 50 20 JBGD CNC(=O)CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc([N+](=O)[O-])ccc3OC(C)=O)C2)C1 1831274470 GQBSBNBSGZQZHD-NRFANRHFSA-N 478.458 -0.274 50 20 JBGD CSCC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1831533284 SFQGKAGALIKYRF-OAQYLSRUSA-N 450.366 -0.174 50 20 JBGD Cc1nn2cc(CC(=O)N3CCO[C@]4(COCCN(C(=O)CCC(=O)NN(C)C)C4)C3)nc2s1 1832109831 FMNCOLLDFKGVDH-NRFANRHFSA-N 493.590 -0.529 50 20 JBGD COc1cccnc1CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1832863757 XHVSBSZPIUWRBV-DEOSSOPVSA-N 483.330 -0.527 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3ccco3)CCO2)C1 1833049146 PMKTYUSQPGAWCU-JOCHJYFZSA-N 457.487 -0.019 50 20 JBGD COc1nccnc1C(=O)NC1CCN(C2CCN(C(=O)c3cnccc3C(=O)NN)CC2)CC1 1833970109 SRUMUNGNCHJJBT-UHFFFAOYSA-N 482.545 -0.017 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)CCN3CCOCC3)CC2)CC1)c1cccc(B(O)O)c1 1834801086 OBEZOCJOIGBGQU-UHFFFAOYSA-N 472.395 -0.726 50 20 JBGD Cc1ccn2ncc(C(=O)N3CCOC[C@]4(CN(C(=O)c5ccc(B(O)O)cc5)CCO4)C3)c2c1 1835928309 KCCCYKCZMRIGAH-DEOSSOPVSA-N 478.314 -0.294 50 20 JBGD O=C(COc1ccc(F)cc1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835929442 OUSVUVJFCGSJPD-HSZRJFAPSA-N 472.278 -0.346 50 20 JBGD O=C(c1ccc(-n2cccn2)nc1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835938325 RYMLHEAACLZOMO-XMMPIXPASA-N 491.313 -0.669 50 20 JBGD NC(=O)[C@H](N)CCC(=O)N1CCC(N2CCC(NC(=O)[C@H](F)Br)CC2)CC1 1836412775 UNYIYGZSGJERII-HIFRSBDPSA-N 450.353 -0.159 50 20 JBGD CC(=O)N1CCN(CC(=O)N2CCO[C@]3(COCCN(C(=O)CO[Si](C)(C)C)C3)C2)CC1 1836767028 BOIDWLIICZUNLD-OAQYLSRUSA-N 470.643 -0.542 50 20 JBGD C[C@@H](C(=O)N1CCC(OC2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1)n1ccnn1 1837920066 IMGQHOPKXAOCHR-INIZCTEOSA-N 455.324 -0.169 50 20 JBGD CN(CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3nccn3C)C2)C1)NC(=O)NCc1ccccc1 1839054166 JIZJGAJHXCXRLB-DEOSSOPVSA-N 499.572 -0.164 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)c1cnc3ccc(F)cn13)CCO2 1839591167 JNVWPXZNCHBOCE-QHCPKHFHSA-N 482.277 -0.463 50 20 JBGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C2)C1 1840152863 WZTNLUASWQBDDI-MELARPHDSA-N 469.926 -0.169 50 20 JBGD COc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)c(O)c1 1840185537 OVNNXLANHQRRKF-JOCHJYFZSA-N 464.519 -0.156 50 20 JBGD CC(C)(C)OC(=O)N1CC[C@H](C(=O)N2CCCC23CN(C(=O)c2ccc(B(O)O)cc2)C3)[C@H](O)C1 1841026361 ZQLGLTKHOBQRBX-RBUKOAKNSA-N 487.362 -0.199 50 20 JBGD CCn1nc(C(=O)NNC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)c2ccccc2c1=O 914457237 OWSPPWADJFMYQL-CHWSQXEVSA-N 461.500 -0.787 50 20 JBGD Cn1nc(C(=O)N2CCO[C@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)c2c1CCC2 1779032397 QEXOFSWIMTUWII-QFIPXVFZSA-N 453.503 -0.335 50 20 JBGD CN(CC(=O)N1CCO[C@@]2(CCN(C(=O)Cn3ccncc3=O)C2)C1)NC(=O)NCc1ccccc1 1782667115 ULZVRGDKSNDIOC-XMMPIXPASA-N 497.556 -0.581 50 20 JBGD COC(OC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN(C)NC(=O)NCc3ccccc3)[C@H]2C1 1789725115 XTWGCZUPBWSQBO-FHWLQOOXSA-N 477.562 -0.069 50 20 JBGD COC(=O)[C@@H]1CC=CC[C@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C 1801012193 MRTYLQYMBQIETK-QRXRQMIZSA-N 450.536 -0.296 50 20 JBGD NC(=O)c1nccnc1C(=O)N[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815344392 XBZSBZYPKQNNND-GFCCVEGCSA-N 466.288 -0.749 50 20 JBGD Cc1cc(C(=O)NCC(=O)NC2CCN(C3CCN(C(=O)c4cccc(B(O)O)c4)CC3)CC2)no1 1835774791 GVIPGQWYFPGJEH-UHFFFAOYSA-N 497.361 -0.722 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCC(N2CCC(NC(=O)c3n[nH]cc3[N+](=O)[O-])CC2)CC1 1835868607 UWSJEWJURJRKGX-UHFFFAOYSA-N 485.505 -0.185 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCC(F)(F)C3)C2)C1 1835926000 GYQJNVRCTJQGSO-OXJNMPFZSA-N 452.263 -0.128 50 20 JBGD O=C(c1ccc2n[nH]cc2c1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835935363 CDHLKDKMFVTCJL-HSZRJFAPSA-N 464.287 -0.374 50 20 JBGD C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1)n1cccc1C=O 1835958080 IMMDVFDXVRKPTM-VGSWGCGISA-N 463.535 -0.309 50 20 JBGD Cc1nccnc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1838215367 CGMPFKZQMALTTE-NRFANRHFSA-N 455.475 -0.833 50 20 JBGD Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)c(O)n1 1838671423 HYXOWIVHHSKMDL-QFIPXVFZSA-N 470.486 -0.522 50 20 JBGD CCOC(=O)c1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)ccn1 1838723768 LFNDZLDDUQFMJW-QHCPKHFHSA-N 491.545 -0.299 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)n1cncn1)CCO2 1840418396 XWAVLIYIHHBAGU-SBSONNNVSA-N 472.506 -0.571 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC2(CCCN2C(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)C1 1845231648 ALDTUGDZZZYJEL-OAHLLOKOSA-N 455.556 -0.162 50 20 JBGD CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 728372119 DBNURCRBEGSEAY-JSGCOSHPSA-N 456.546 -0.278 50 20 JBGD CS(=O)(=O)CC[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NNC(=O)C(=O)N1CCCC1 748246472 APAZWOUEBQXTQD-CQSZACIVSA-N 458.924 -0.357 50 20 JBGD CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CC[C@@]2(CN(C(=O)[C@H](F)Br)CCO2)C1 1784373566 PTZYJRZSAQJCFU-KEYYUXOJSA-N 460.304 -0.023 50 20 JBGD CC(C)(C)OC(=O)NCC1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)CC1 1792543987 ALIPYSYJSNCJCJ-IZZQQSIFSA-N 487.362 -0.126 50 20 JBGD CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1 1796188490 NESSIETZHDDRPM-FCGDIQPGSA-N 475.351 -0.106 50 20 JBGD Cn1c(=O)c2c(ncn2CC(=O)Nc2cc([C@H]3CCCCN3C(=O)[C@H](O)CCl)[nH]n2)n(C)c1=O 1815797240 ICCLVDMZQVYOMK-CHWSQXEVSA-N 492.924 -0.551 50 20 JBGD CC(=O)N1CCN(CC(=O)N2CCCC[C@H]2c2cc(NC(=O)CCC(=O)NN(C)C)n[nH]2)CC1 1822415826 JEQAVKZNOMQPMB-SFHVURJKSA-N 476.582 -0.061 50 20 JBGD O=C(CCN1C(=O)Cc2ccccc2C1=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830719900 OAPXJLFCKXTCPB-FDDCHVKYSA-N 493.944 -0.342 50 20 JBGD O=C(OCCO)c1ccccc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830732604 UHVRIDIYYBHNQA-DYESRHJHSA-N 470.906 -0.495 50 20 JBGD CN(C)c1ncc(C(=O)N2CCC(N3CCC(NC(=O)c4cccc(B(O)O)c4)CC3)CC2)o1 1834799818 DBVDDYUEYUJYMQ-UHFFFAOYSA-N 469.351 -0.081 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1)c1cc(O)nc(O)n1 1835075489 FTFJOAPLBVVFCK-UHFFFAOYSA-N 469.307 -0.933 50 20 JBGD O=C(Cc1noc2ccccc12)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835935440 FEUAVKNEZBYTQL-DEOSSOPVSA-N 479.298 -0.180 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)c3cnc(C(F)(F)F)cn3)C2)C1 1835935453 FQWHBAKLIKIALY-FQEVSTJZSA-N 494.235 -0.441 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc3nc[nH]c3c1)CCO2 1836930413 CZEOCAZZEIIWED-HSZRJFAPSA-N 464.287 -0.374 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(Cl)c3nncn3c1)CCO2 1837372672 GYLJHVBOSIUXGY-OAQYLSRUSA-N 493.952 -0.174 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc4c3NC(=O)C4)C2)C1 1837459249 ACSIBRFFYPRWKW-XMMPIXPASA-N 494.508 -0.437 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(F)cn3)C2)C1 1840184070 PXRUNKCOPVLFJP-NRFANRHFSA-N 451.499 -0.407 50 20 JBGD C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840185464 QNPPGQXSBXASDR-OPAMFIHVSA-N 485.582 -0.271 50 20 JBGD CC(C)CS(=O)(=O)CCC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 916029986 LJMDLULDDGOEAW-UHFFFAOYSA-N 461.562 -0.071 50 20 JBGD O=C(CN1CCCC1=O)NNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 920432436 ADZHHPOAHHMSKP-ZDUSSCGKSA-N 453.477 -0.235 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)COc3ccc(O)cc3)CCO2)C1 1779028697 INGROOZWCPTFCN-JOCHJYFZSA-N 455.471 -0.087 50 20 JBGD COCCOCCOCCOCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](Cl)COC)C2)C1 1783879515 WFGYIBREQCASSJ-PXNSSMCTSA-N 466.959 -0.234 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc4n(n3)CCNC4=O)[C@H]2C1 1786258839 FJZALTVWYLKMJY-WZXGEXOSSA-N 496.528 -0.646 50 20 JBGD C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1792758849 CERIUTFAPFFYJE-SCNOPHJPSA-N 461.324 -0.517 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2nonc2c1 1796884842 WQXORQCLIADBDC-IVWMJMPLSA-N 451.443 -0.262 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)NC(=O)OC(C)(C)C 1799680952 HYBHDJRTEFGWQW-LAGKQEBRSA-N 492.533 -0.447 50 20 JBGD CN(C)NC(=O)CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H]1CSCN1C(=O)[C@@H]1CCC(=O)N1)C2 1802338606 SKZDOFIAILVJPF-BQJWPVKWSA-N 494.618 -0.822 50 20 JBGD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)n2)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807365163 WUQMAQXASDXGHW-BEFAXECRSA-N 463.259 -0.404 50 20 JBGD O=C(CCN1CCOC1=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1809531619 YFMODLNSGTUXSH-RXVVDRJESA-N 466.303 -0.077 50 20 JBGD O=C(Nc1cc([C@H]2CCCCN2C(=O)[C@H]2CCCS2(=O)=O)[nH]n1)c1ccc(B(O)O)cc1 1817475984 YMFOKYXUJMJTOY-IAGOWNOFSA-N 460.321 -0.027 50 20 JBGD NC[C@H](N)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCN2C(=O)OCc1ccccc1 1828551465 PNWRTXMLRWTXBY-FIKGOQFSSA-N 467.954 -0.676 50 20 JBGD C[C@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(=O)n4[nH]cnc4n3)C2)C1 1830537135 CADYEEGGAQSVSS-KZULUSFZSA-N 483.323 -0.481 50 20 JBGD NC(=O)c1ncccc1C(=O)NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1833919296 GPKQVAITMBRMJV-UHFFFAOYSA-N 479.346 -0.641 50 20 JBGD CC(C)c1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)no1 1834495622 LHZOLQQXDNOVSJ-JOCHJYFZSA-N 457.292 -0.138 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)c3cnn4ccncc34)CC2)CC1)c1cccc(B(O)O)c1 1834799930 FOYPJZFBSOCJCM-UHFFFAOYSA-N 476.346 -0.092 50 20 JBGD COc1ncccc1CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835927098 FIDDSNNLDRVTJO-XMMPIXPASA-N 483.330 -0.527 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1)c1cc2cccnn2n1 1836077408 PRWVJNOVUWPWBQ-UHFFFAOYSA-N 476.346 -0.092 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnn3cccnc13)CCO2 1836850772 AKWXEUJEZBKFOU-NRFANRHFSA-N 459.507 -0.828 50 20 JBGD C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1837399198 OAKKXIVIVYPFME-VGSWGCGISA-N 461.519 -0.672 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c(C4CC4)c3F)C2)C1 1837456184 DTJPNIQZAIDIKP-QFIPXVFZSA-N 487.492 -0.192 50 20 JBGD NC(=O)c1nccnc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839200550 MJUUEEOONXMFBT-MLGOLLRUSA-N 460.260 -0.664 50 20 JBGD CC(=O)N/C(=C\c1ccco1)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1839389485 RRILGIUQMVYFOI-DNQIBQKISA-N 497.313 -0.793 50 20 JBGD CCn1cnc2c1c(=O)n(CC(=O)NNC(=O)[C@H]1CCCN(C(C)=O)C1)c(=O)n2Cc1ccccc1 789855613 YRDMQOAQTWPRII-SFHVURJKSA-N 495.540 -0.166 50 20 JBGD COc1ccc(C(=O)NNC(=O)COC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cc1OC 821698116 PTRVKAPRASZRTB-UHFFFAOYSA-N 476.467 -0.253 50 20 JBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1CCS(=O)(=O)CC1)C2)[C@H](F)Br 1780771073 RTUQFBAGRMATML-UKPHBRMFSA-N 484.388 -0.079 50 20 JBGD COC(=O)c1ccc(CC(=O)N2CC[C@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)s1 1780896985 XZDINEQBPGAEEQ-QFIPXVFZSA-N 472.328 -0.099 50 20 JBGD COC(=O)c1ccc(CC(=O)N2CC[C@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)cc1 1784157483 WFFYDGJCWVUDJO-DEOSSOPVSA-N 466.299 -0.161 50 20 JBGD CC(=O)N[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1)c1ccc(F)cc1 1786984817 MQXVQCXSFHMCLA-QGQQZZQASA-N 497.332 -0.024 50 20 JBGD CN[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](CCl)NC(=O)OC(C)(C)C)C2)C(=O)O 1795638636 GGWJMIJLXSWQHT-YMSVYLFOSA-N 476.958 -0.229 50 20 JBGD Nc1c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)sc2nccnc12 1795734534 LHNBHHONFZUODE-YWVIFJGQSA-N 467.316 -0.530 50 20 JBGD C[C@H]1CCc2c(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)c3cnccc3C(=O)NN)C4)n[nH]c21 1796974125 SGVOSAOHJPZXKZ-JWXAPSBJSA-N 453.503 -0.025 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1ccc(-n2cccn2)nc1 1798212735 VSDBHIWYEKFCAY-RMFSNUHRSA-N 461.287 -0.536 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1cn2c(F)cccc2n1 1799998219 LTFBBMPEJUWHQV-YVWYUNDQSA-N 452.251 -0.330 50 20 JBGD O=C(NC[C@@H]1CCN(C(=O)CN2CCOC2=O)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807363437 DTXROLHFQCVMII-FXAWDEMLSA-N 452.276 -0.467 50 20 JBGD CC(=O)N(C)[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1808429791 UBKKQXJNBJZNSB-VMRPVKRXSA-N 452.320 -0.052 50 20 JBGD CC(=O)N1CCN(CC(=O)N2CC[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2c2cccnc2)CC1 1813069800 CXYSWYLVHXWRND-GBXCKJPGSA-N 487.605 -0.376 50 20 JBGD Cc1cn(CC(=O)N2CC[C@H](CNC(=O)CCC(=O)NN(C)C)[C@@H]2c2cccnc2)c(=O)nc1O 1813073036 FKCPMZYWAAIDLB-UTKZUKDTSA-N 485.545 -0.269 50 20 JBGD CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCOC[C@]2(CN(C(=O)CCBr)CCO2)C1 1834826616 SFPJSEONRKDQIU-APWZRJJASA-N 486.367 -0.302 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)C3(c4ccc(O)cc4)CC3)C2)C1 1835926156 HQSJCCRUGRDOHV-DEOSSOPVSA-N 480.326 -0.126 50 20 JBGD O=C(c1ccc(OCCCO)cc1)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835937973 CXWCQCURZUGANL-VWLOTQADSA-N 498.341 -0.489 50 20 JBGD Cc1n[nH]c(C)c1CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835939651 WRVSDFKHGBJCIV-QFIPXVFZSA-N 456.308 -0.981 50 20 JBGD Cc1cc(C)n(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)n1 1837456886 PJUFGGYSNUAOCP-QFIPXVFZSA-N 471.518 -0.731 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3coc(Cl)n3)C2)C1 1837456984 RQSFUGQBEVZETF-IBGZPJMESA-N 464.866 -0.290 50 20 JBGD C[C@H](Nc1cccnc1)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837457444 BWDMDBHPRKBSMH-QMHKHESXSA-N 483.529 -0.349 50 20 JBGD COC(=O)c1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)cc1 1840277474 DFNNVOMSJZKOFB-RUZDIDTESA-N 496.325 -0.534 50 20 JBGD C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1)n1cccn1 1840441950 MCBIXZBAIPVUKP-YCRPNKLZSA-N 457.491 -0.787 50 20 JBGD COc1ccc(C(=O)NNC(=O)COC(=O)CN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)cc1OC 845922773 GOGGELPBPBBTNB-KFMSBCHRSA-N 457.439 -0.185 50 20 JBGD O=C(NNS(=O)(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1)N[C@H]1CCS(=O)(=O)C1 919960706 BXQGMKBEYRARMT-ZDUSSCGKSA-N 480.590 -0.459 50 20 JBGD O=C(CNC(=O)C(F)(F)F)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2 1782235145 GDLMHTMLEHILSZ-DNVCBOLYSA-N 471.241 -0.828 50 20 JBGD C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21)N1C[C@H]2C[C@@H]2C1 1788512635 CYECBPLJYYSCGD-CRODYANQSA-N 456.547 -0.381 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@H](N)c3cccnc3)C[C@@H]21 1788610561 GLRJERPNARDZJM-KNTRFNDTSA-N 467.530 -0.237 50 20 JBGD C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21 1789891201 KDHVUSDUJLALIM-WBAXXEDZSA-N 459.503 -0.212 50 20 JBGD CN(CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)C(=O)OC(C)(C)C 1795336546 PMFSENMVGHRAJM-HGKCTWBKSA-N 461.324 -0.564 50 20 JBGD O=C(CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1)Nc1ccc(F)cc1 1795735023 JNARLHCAGXTTLE-MFKICJERSA-N 469.278 -0.263 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Br)C2)c1cc(=O)nc2cccnn12 1798498420 WJVATZRJQPZPFO-OWLDWWDNSA-N 454.256 -0.017 50 20 JBGD O=C(CCN1C(=O)C=CC1=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1803916408 NOOJKZIXFXDRAZ-MBSDFSHPSA-N 476.298 -0.604 50 20 JBGD O=C(NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1)c1cc2n(n1)CCNC2=O 1806080364 MYLJUSOEJDPJIP-UTKZUKDTSA-N 488.313 -0.665 50 20 JBGD CCOC(=O)N[C@H](O)C(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807361107 OUBMTUGMWZFFIG-YVWKXTFCSA-N 470.291 -0.855 50 20 JBGD CC(=O)OC[C@H](OC(C)=O)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)CBr)CCO2)C1 1830540160 PEABTJCFTJXPFI-AZOIQLNYSA-N 493.351 -0.031 50 20 JBGD O=C(c1ccc(N2C(=O)C=CC2=O)cc1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830737173 BSWOFOMXJHLGPW-JTSKRJEESA-N 477.901 -0.214 50 20 JBGD CCS(=O)(=O)CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)CBr)C2)C1 1831331421 BHAFTTWBJDXETA-CZUORRHYSA-N 455.371 -0.092 50 20 JBGD Cc1cn(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)c(=O)nc1O 1832774470 ZVHZJRLMJLMPQV-HXUWFJFHSA-N 482.346 -0.129 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3cnc[nH]3)CCO2)C1 1832808080 AIUBUGDOVRTUKB-XDEFOSFOSA-N 471.518 -0.067 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCC(N2CCC(NC(=O)CCN3CCOC3=O)CC2)CC1 1835453886 RIEZLMHXLVJPSS-UHFFFAOYSA-N 487.561 -0.287 50 20 JBGD C[Si](C)(C)OCC(=O)N1CCOC[C@@]2(CN(C(=O)CNCP(=O)(O)O)CCO2)C1 1835539732 VMUGPDXHEPACMZ-MRXNPFEDSA-N 453.505 -0.981 50 20 JBGD Cc1cccc(C)c1NC(=O)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835931654 VYPDDIOGCJVQAG-VWLOTQADSA-N 495.341 -0.308 50 20 JBGD Cc1ccccc1OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835935412 DSCSXVKVOCELGB-DEOSSOPVSA-N 468.315 -0.176 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnccc3F)CCO2)C1 1836315670 BVWYEBQZYFLPNP-NRFANRHFSA-N 458.450 -0.397 50 20 JBGD C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1)N1CSCSC1 1837573863 IAVUTSBOXVLIAV-OXQOHEQNSA-N 489.664 -0.141 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(O)ccc3O)CCO2)C1 1839448233 WXRYRSLFAGSFDI-QFIPXVFZSA-N 471.470 -0.520 50 20 JBGD C[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)C[C@@](C)(O)CC(=O)O)CCO2)C1 1840182106 WPIIZWIPIPZWCG-VUCTXSBTSA-N 451.314 -0.158 50 20 JBGD COC(=O)c1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)cc1 1840279562 UUQQOWQXUBZFLR-XMMPIXPASA-N 490.557 -0.155 50 20 JBGD CN(CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN1CCOC1=O)NC(=O)NCc1ccccc1 1847692412 KGFXXMVHHRSECN-ROUUACIJSA-N 458.519 -0.013 50 20 JBGD COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NNC(=O)CNC(=O)c1ccco1 751203920 AGXMCLQPBQTSIW-UHFFFAOYSA-N 466.472 -0.500 50 20 JBGD Cn1c(=O)c2c(ncn2CCC(=O)OCC(=O)NNC(=O)c2cccc(Cl)c2)n(C)c1=O 760937074 QINFHZCNHOBUAF-UHFFFAOYSA-N 462.850 -0.518 50 20 JBGD CN(CC(=O)N1CC[C@]2(C1)CN(C(=O)C1=NN(C)C(=O)CC1)CCO2)NC(=O)NCc1ccccc1 1780970447 YGCDFSWFIPTCQA-DEOSSOPVSA-N 499.572 -0.229 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3O)C2)C1 1781116063 ZUHQLVDYVKPYNG-SAHWJRBASA-N 497.593 -0.583 50 20 JBGD CC(C)(C)OC(=O)NCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cnccc1C(=O)NN)CCO2 1783398954 YQJXODWVHVIBKI-OAQYLSRUSA-N 462.507 -0.347 50 20 JBGD Cc1nc[nH]c1CSCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786979636 GEUKWXPVYXKYJX-QRFRQXIXSA-N 472.376 -0.075 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)[C@@H]1ON=C(c2ccccc2)O1 1788520637 PONHILDKQJTECI-CDSYHYPYSA-N 479.298 -0.306 50 20 JBGD CC(C)(C)OC(=O)N1CC(=O)C[C@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)CCl 1792975450 SDYRARINPUTCCM-FSNAAORZSA-N 459.927 -0.246 50 20 JBGD CC(C)(C)OC(=O)N1CC(F)(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)C1 1795736954 PUVVDLPWTWCYSG-ALXJQNPVSA-N 491.325 -0.471 50 20 JBGD C[C@H](NC(=O)c1ccccn1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1 1796189965 FVJZXXBBYNEVFR-FZDIXFNVSA-N 450.304 -0.168 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(=O)n2[nH]nnc2n1 1796571348 QSYKKSZBIPQIMA-PNEZKNQNSA-N 466.462 -0.802 50 20 JBGD Cn1c(=O)n(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)c2ccccc21 1797750886 UKJGIAQMESPFGE-USGNIVHTSA-N 493.524 -0.758 50 20 JBGD CC(=O)N1CCN(CC(=O)NC[C@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)CC1 1809669391 QLWLCXTXGRWEFN-ZJSXRUAMSA-N 493.373 -0.755 50 20 JBGD CCNC(=S)NCC(=O)NC[C@@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1812331929 XGJUOKJCXURURU-HNAYVOBHSA-N 484.586 -0.116 50 20 JBGD O=C(CNC(=O)c1cccnc1)N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815350337 QOFDTPOTYGKSSP-INIZCTEOSA-N 479.327 -0.126 50 20 JBGD O=C(CN1C(=O)CSC1=S)N[C@@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815364463 UMBLNEGGZODGGW-GFCCVEGCSA-N 490.397 -0.091 50 20 JBGD C[C@H](C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1ccc(B(O)O)cc1)CC2)[C@H]1SC(=N)NC1=O 1817252868 VGBANDJGMYVJJG-TURKWSHLSA-N 487.372 -0.149 50 20 JBGD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1)[C@H]1CCCS1(=O)=O 1821834316 YCHSNESJLATMCE-IAGOWNOFSA-N 460.321 -0.027 50 20 JBGD Cc1cccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)n1 1830916198 GGBNHRIKBXOKEK-QHCPKHFHSA-N 468.514 -0.299 50 20 JBGD C[C@@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CC(=O)NC3=O)CCO2)C1 1832471962 RIOHKMRLNIPUTF-SJCJKPOMSA-N 461.313 -0.974 50 20 JBGD COc1ncccc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1834128829 JGCJCYBCOMNCFT-JOCHJYFZSA-N 455.276 -0.846 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccnn1C)CCO2 1834233900 NLKLBSHGGUVRQP-SGSZHJQISA-N 457.491 -0.376 50 20 JBGD Cc1noc(CC(=O)N2CCC(N3CCC(NC(=O)c4ccc(B(O)O)cc4)CC3)CC2)n1 1834797842 CLFHUZVXZAUYLE-UHFFFAOYSA-N 455.324 -0.514 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)c3cc(F)cnc3Cl)C2)C1 1835930324 GPNZGSDVZKCDBC-OAQYLSRUSA-N 477.685 -0.062 50 20 JBGD N#Cc1cc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)ccc1F 1835930980 BOFTYOZSTBASRW-XMMPIXPASA-N 481.289 -0.310 50 20 JBGD CC(=O)O[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1)C(C)C 1835937949 CDOAVAXKYYYDSP-DENIHFKCSA-N 462.308 -0.976 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)C1(C(F)(F)F)CC1)CCO2 1836716317 RUGQSESAGFXTBB-GOSISDBHSA-N 456.226 -0.221 50 20 JBGD C[C@](Cl)(CCl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837459794 NEAPEKXQLVOSIQ-OALUTQOASA-N 474.345 -0.009 50 20 JBGD C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1)c1ccccn1 1837460497 GVFYNXPFBGJLLZ-QMHKHESXSA-N 468.514 -0.046 50 20 JBGD Cn1ccc(=O)cc1C(=O)N1CCC(OC2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1837921289 VEWHSDCPTWOZAN-UHFFFAOYSA-N 467.331 -0.009 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccn(C(F)F)n3)CCO2)C1 1838037233 UCOYKVJJXDKYFI-FQEVSTJZSA-N 479.444 -0.340 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(Cl)c(O)cc1O)CCO2 1839252746 XDLNNJJHCQJELA-JOCHJYFZSA-N 490.705 -0.185 50 20 JBGD O=C(CCBr)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCCS1(=O)=O)CCO2 1839781027 CUDNTYJAYPEJRK-CJNGLKHVSA-N 453.355 -0.195 50 20 JBGD CC(C)c1nc(CC(=O)N2CCOC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)no1 1840182715 QXASWGWVXMQGLQ-NRFANRHFSA-N 466.539 -0.435 50 20 JBGD CC[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840185979 VEJUMNRFXSOHJU-KSSFIOAISA-N 463.373 -0.011 50 20 JBGD C/C(=C\c1cccnc1)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1840412988 YGZMRTGGFQUEFI-IRUWDQCASA-N 465.315 -0.065 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)CCN2C(=O)c3ccccc3C2=O)C1 1841910191 XWRPTAQBGSANFG-UHFFFAOYSA-N 461.283 -0.130 50 20 JBGD CN(CCOCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O)C(=O)CBr 116567406 YIOVDOKPDMVMCM-UHFFFAOYSA-N 497.339 -0.097 50 20 JBGD O=C(CNC(=O)c1cccs1)NNC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 751211926 YMJARRMRPVQDGJ-UHFFFAOYSA-N 452.514 -0.040 50 20 JBGD COc1cc(N2C[C@H](C(=O)NNC(=O)N[C@H]3CCS(=O)(=O)C3)CC2=O)cc(OC)c1OC 919888717 GLPCULHPUXUXIK-NEPJUHHUSA-N 470.504 -0.417 50 20 JBGD Cn1c(=O)n(C)c2cc(C(=O)N3CC[C@]4(CN(C(=O)c5cccc(B(O)O)c5)CCO4)C3)ccc21 1777865555 GJSUXMPFAYCPAU-XMMPIXPASA-N 478.314 -0.686 50 20 JBGD CCNC(=O)N[C@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2 1779317028 MAHJDIYXXOOOOP-YBOAYWMSSA-N 460.340 -0.799 50 20 JBGD C[C@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cnccc1C(=O)NN)C2)n1ccnn1 1781548001 MVOQNUJIACBAPK-SOIKWTOOSA-N 456.507 -0.335 50 20 JBGD CC[C@@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)c3cc(=O)n4[nH]nnc4n3)CCO2)C1 1783343686 WICQHWHJUWEXMV-HWPZZCPQSA-N 454.285 -0.570 50 20 JBGD COc1ncc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)cc1F 1785638306 OIVZRIVNXFFKSC-FNHZYXHNSA-N 457.267 -0.184 50 20 JBGD CC(=O)N/C(=C\c1ccco1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786985210 QWSYTZPNTQFUML-OBKPZPLISA-N 481.314 -0.270 50 20 JBGD COCCOCCOCCOCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)CCl 1792978612 IROCHTBRNYUNJA-ZMMAXQRCSA-N 466.959 -0.738 50 20 JBGD CC(C)(C)OC(=O)N1C[C@H]2C[C@@]2(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)C1 1795737162 ZDICMVBGYGEEPJ-ZTDQHOIESA-N 499.373 -0.173 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1cc(Cl)ccn1)C2)c1cccc(B(O)O)c1 1795740269 MOWGIMCELAMRNK-YVWYUNDQSA-N 459.695 -0.303 50 20 JBGD Cn1nc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)c2c1CCC2 1797750577 JIQOCAQROGSXDZ-IVWMJMPLSA-N 453.503 -0.576 50 20 JBGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1)[C@@H]1CCCS1(=O)=O 1812495844 IYMGHNZMMHUSEV-IHPCNDPISA-N 471.344 -0.342 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)c2cc(=O)n3[nH]cnc3n2)[C@H]1c1cccnc1 1813070497 IBRXJDPHXFTPJL-QRWLVFNGSA-N 481.517 -0.495 50 20 JBGD CNC(=S)NCCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CCC(=O)NN(C)C)CC2 1819811043 NRDCNIOUQXDOEY-NSHDSACASA-N 455.610 -0.088 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CC(=O)N(C3CCCC3)C1)CCO2 1832358202 WPUMMUNONMDVOO-UQBPGWFLSA-N 499.373 -0.773 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cncnc3)CCO2)C1 1833120236 YNBHWGXJPCFSFN-XDEFOSFOSA-N 469.502 -0.391 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cncc(N(C)C)c1)CCO2 1833366166 RYZQZVRDDUTPLP-JOCHJYFZSA-N 462.551 -0.409 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)c3ccn(C(F)F)n3)C2)C1 1835931707 YJBYWIHBRKPHTK-HXUWFJFHSA-N 464.234 -0.658 50 20 JBGD O=C(Cc1c(F)cccc1F)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835939666 XHOYIKKXVBVEJC-HSZRJFAPSA-N 474.269 -0.043 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c(O)cc(O)cc3O)C2)C1 1837459279 BALAYKNTAGXRTO-QFIPXVFZSA-N 487.469 -0.814 50 20 JBGD CN(CC(=O)N1CCO[C@]2(COCCN(C(=O)c3nc[nH]n3)C2)C1)NC(=O)NCc1ccccc1 1839054126 IHDDTTBCLVUEHK-JOCHJYFZSA-N 486.533 -0.779 50 20 JBGD CC(C)NC(=O)OC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1839072506 GERUFABIGRVWSD-HSZRJFAPSA-N 491.350 -0.650 50 20 JBGD CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1839209544 HYIOSWBATPICLV-QEEYODRMSA-N 479.958 -0.682 50 20 JBGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1cc(I)ccc1-n1cnnn1 728384905 SCYYHCPTGBTADG-MRVPVSSYSA-N 476.256 -0.537 50 20 JBGD C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)NNC(=O)c3cccc(C#N)c3)CC2)C[C@@H](C)O1 728953431 PIJMNNAASVBCKP-HUUCEWRRSA-N 450.521 -0.116 50 20 JBGD O=C(COC(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)NNC(=O)[C@H]1COc2ccccc2O1 794505291 QXXWDBULIRBCOV-HOYKHHGWSA-N 494.460 -0.090 50 20 JBGD CN(CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3C[C@@H](O)C3)C2)C1)NC(=O)NCc1ccccc1 1778132199 FHFARNIQFWLVOC-YYDVJCTNSA-N 459.547 -0.067 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H]2C[C@H](O)CN2)C1 1780601925 KATREEXXPPZTTP-RUFJDDBZSA-N 460.535 -0.643 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cnc3c(c1)NC(=O)CS3)CCO2 1783937638 WZUMVHRESAJSOZ-OAQYLSRUSA-N 476.559 -0.058 50 20 JBGD C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786981971 IVKIRRHJBAHRNQ-VMXMFDLUSA-N 499.373 -0.124 50 20 JBGD COC(=O)[C@H]1CCC[C@@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)C1 1791241702 DYFVXQXLYSMRQS-SVZPGXKISA-N 472.347 -0.061 50 20 JBGD COC(=O)[C@H]1CC[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)C1 1792966075 AKUGXJDKRJQAIE-IBTNMTNLSA-N 459.503 -0.522 50 20 JBGD CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](O)CCl)C1 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O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)[C@H](O)Cc1ccccc1 1790954857 JXQWJJPYBVSKIA-UVUJQTEASA-N 452.316 -0.437 50 20 JBGD CN(CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCn3ccnn3)[C@H]2C1)NC(=O)NCc1ccccc1 1791648139 VXVCMRFBVCLKPC-ACRUOGEOSA-N 498.588 -0.006 50 20 JBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN(C)C(=O)c1ccccc1 1793230280 ZVBGMBYZAJRCEN-OPMZPASUSA-N 459.547 -0.279 50 20 JBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(F)CN(C(=O)OC(C)(C)C)C1)C2 1801014023 AOTFWSMNMSTPJO-JLVBRIDZSA-N 485.557 -0.092 50 20 JBGD CC(=O)Nc1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)c1 1801785985 KYTHOGSPVXJJMX-RMFSNUHRSA-N 451.288 -0.158 50 20 JBGD O=C1CC[C@H](C(=O)NC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)CN1 1802611987 SAYZCFURSFHJJC-WFXMLNOXSA-N 450.304 -0.393 50 20 JBGD COC(=O)CSCC(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807360616 TULHOWDLTZKJPW-UWJYYQICSA-N 471.344 -0.013 50 20 JBGD O=C(CNC(=O)C(F)(F)F)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1813096778 FJJLUJZNJBNRQY-QAPCUYQASA-N 478.236 -0.241 50 20 JBGD Cc1noc(C)c1CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1832556909 KHQQCMPGNSIOPB-JOCHJYFZSA-N 472.502 -0.397 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(=O)oc3)CCO2)C1 1834594512 XGQXCTGVKYLXTC-NRFANRHFSA-N 457.443 -0.978 50 20 JBGD Cc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)cc1 1835081844 GXVADPINNZTXGF-XMMPIXPASA-N 452.316 -0.012 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)c3cc(-c4ccco4)no3)C2)C1 1835928288 IJLXOOZZIHNBPT-QHCPKHFHSA-N 481.270 -0.002 50 20 JBGD O=C(Cc1ccc2c(c1)OCO2)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835935451 FPRLBDIJSCSAEX-XMMPIXPASA-N 482.298 -0.592 50 20 JBGD Cc1nccn1[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835939958 QLVWLMHBEBRPTA-AOMKIAJQSA-N 456.308 -0.797 50 20 JBGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(CS(C)(=O)=O)nc3)CCO2)C1 1836380683 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O=C1CN(C(=O)c2ccc(CNC(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)cc2)CCN1 916391624 IJCPKMNYIIVZRC-UHFFFAOYSA-N 463.458 -0.622 50 20 JBGD Cc1c(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2ccc(B(O)O)cc2)C3)cn2[nH]cnc(=O)c12 1780018656 OIIZZMJGTXBVID-NTKDMRAZSA-N 493.329 -0.548 50 20 JBGD CN(CC(=O)N1CC[C@]2(C1)CN(C(=O)C1CC(O)C1)CCO2)NC(=O)NCc1ccccc1 1780969430 LWXKGQDDBXDRAO-XWEVFREBSA-N 459.547 -0.067 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)c3cccc(-n4cncn4)c3)C2)C1 1782014068 COUNSBCSJMOBIZ-QHCPKHFHSA-N 461.287 -0.296 50 20 JBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H](O)CN1C(=O)OC(C)(C)C 1795894681 BTBBKCMWPUSGEG-WFNPHZEWSA-N 497.593 -0.681 50 20 JBGD CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1 1796191731 SJOGBJWABHTJNM-FCGDIQPGSA-N 475.351 -0.106 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC12CCCN1CCC2 1799212135 NVJKSKXQBRQGGM-CWPLJXCYSA-N 456.547 -0.093 50 20 JBGD CC(=O)OC[C@@H](OC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](F)Br 1799350118 QRVUMISPDVMNBH-XVIXHAIJSA-N 453.261 -0.239 50 20 JBGD CS(=O)(=O)c1ccc(F)c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)c1 1799857722 KUKMWYZTVYXNMG-YVWYUNDQSA-N 490.318 -0.574 50 20 JBGD COC[C@H](Cl)C(=O)N1CCC2(CCCN(C(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)C2)CC1 1806900220 BFLOUJKBEYSWFB-HNNXBMFYSA-N 494.980 -0.081 50 20 JBGD O=C1C[C@H](C(=O)N2CC[C@H](CNC(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)CCN1 1807368017 PKYKOLRCDHBNEW-BLIXFSHQSA-N 450.304 -0.393 50 20 JBGD CNC(=S)NCCC(=O)NC[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1 1810312276 UIODZHZZPXQUFW-JXFKEZNVSA-N 463.608 -0.056 50 20 JBGD COC[C@H](NC(C)=O)C(=O)N[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815344139 KASRHIBNRFRHGF-ZBFHGGJFSA-N 460.321 -0.800 50 20 JBGD CN(CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2)NC(=O)NCc1ccccc1 1830733952 XEZSJFULWYOAGD-PGRDOPGGSA-N 497.980 -0.611 50 20 JBGD CCOC(=O)N1CCC(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)CC1 1830737315 CZZBSFQXZLXKQT-UZLBHIALSA-N 461.943 -0.089 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)C[C@H]2NC(=O)NC2=O)CC1 1831871998 YQVDLSWNRGHXAE-CVEARBPZSA-N 450.540 -0.423 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCC(N2CCC(NC(=O)Cn3cc([N+](=O)[O-])cn3)CC2)CC1 1833786785 KUSRSMVKTPLXFM-UHFFFAOYSA-N 478.554 -0.264 50 20 JBGD CCOC(=O)/C=C/C(=O)N1CCO[C@]2(COCCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C2)C1 1834772164 NORMUYMBPIJMNQ-CJUZGDCTSA-N 475.502 -0.304 50 20 JBGD CNc1nsnc1C(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834798065 QDSXLQWHCSMDOD-UHFFFAOYSA-N 472.380 -0.241 50 20 JBGD Cc1c(F)ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)c1N 1835928267 HQPJSOJQDKWXDJ-HSZRJFAPSA-N 471.294 -0.220 50 20 JBGD CC(C)n1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)n1 1835931355 NUEDZLLKXYYYEC-JOCHJYFZSA-N 456.308 -0.472 50 20 JBGD C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1)n1cccc1C=O 1835935536 JQRIOUABOKHXFN-UZUQRXQVSA-N 469.303 -0.688 50 20 JBGD CO[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1)c1ccccc1 1835935857 VEAGQFUDIMEDFJ-QPPBQGQZSA-N 468.315 -0.176 50 20 JBGD O=C(c1ccc2ncoc2c1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835937128 QAFSGBBJODLRPS-HSZRJFAPSA-N 465.271 -0.109 50 20 JBGD CNC(=S)NCCC(=O)N1CCC(OC2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1837919174 MWVQEOHPUUJPTR-UHFFFAOYSA-N 476.408 -0.537 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCC(OC2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1837921209 MDIXLJAXNHVFFY-UHFFFAOYSA-N 495.345 -0.709 50 20 JBGD COc1cccc(OC)c1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1838881829 VJXOPMPEHHARKD-XMMPIXPASA-N 484.314 -0.233 50 20 JBGD COc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)ccc1O 1838975369 IFSDFSHTKGUTCT-QFIPXVFZSA-N 464.519 -0.156 50 20 JBGD Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)ccc1O 1839307171 BETNCPWZNBTVPS-QHCPKHFHSA-N 454.288 -0.236 50 20 JBGD Cn1cc2cc(C(=O)N3CCO[C@@]4(COCCN(C(=O)c5cccc(B(O)O)c5)C4)C3)ccc2n1 1839504463 GZQOZGYUHBBBSW-XMMPIXPASA-N 478.314 -0.363 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/C(=O)NCc3ccco3)C2)C1 1840185447 LZEQYGHAVWLMGF-BVBLWJPBSA-N 491.545 -0.719 50 20 JBGD C[C@@H](NC(=O)c1ccccc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1840901687 QLKQVMVXGUOVDS-CJAUYULYSA-N 495.341 -0.745 50 20 JBGD C[C@@H](O)[C@H](NC(=O)c1ccccc1)C(=O)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843010543 ZMQIZKMWUIFCOD-UZLBHIALSA-N 465.315 -0.637 50 20 JBGD COCCOCCOCCOCCC(=O)N1CC2(CCCN2C(=O)CCC(=O)NN(C)C)C1 1846385441 GUANMBKVUGXJIT-UHFFFAOYSA-N 472.583 -0.351 50 20 JBGD COCCCNC(=O)[C@@H](C)N1CCN(C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)CC1 728961809 QJEMGNUVVXCCGH-QGZVFWFLSA-N 476.582 -0.407 50 20 JBGD COc1cc(N2C[C@H](C(=O)NNC(=O)[C@@H]3CCS(=O)(=O)C3)CC2=O)cc(OC)c1OC 914445035 LCITXXODZOBGTQ-VXGBXAGGSA-N 455.489 -0.353 50 20 JBGD C[C@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2)N1CCN(C)CC1 1780639959 WLLJZKHVCZVDGP-MEKIYTOJSA-N 472.395 -0.870 50 20 JBGD COc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)ccc1O 1786984741 DSECHZKIVOEWGK-MDKPJZGXSA-N 454.288 -0.012 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CC[C@H]4CCC(=O)N4C3)[C@H]2C1 1789769522 NWNUAWXKSPEHGA-UKSSEWCLSA-N 484.557 -0.321 50 20 JBGD Cn1nc(C(F)(F)F)cc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1798188924 YUUKQQPXVKSMQZ-FVCICTRLSA-N 466.225 -0.364 50 20 JBGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cn3c(nc1=O)SCC3)C2 1800977836 YZXUTBBFMOFBLR-FQLMCAECSA-N 456.952 -0.265 50 20 JBGD NC(=O)c1ncccc1C(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807360687 CSVONHZPENOJJA-DYESRHJHSA-N 473.298 -0.111 50 20 JBGD C[C@@H](NC=O)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](CCl)NC(=O)OC(C)(C)C)CCO2 1832551292 HRYFEWBZVXRPLB-QEEYODRMSA-N 476.958 -0.291 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4ccc(F)cc34)C2)C1 1835936768 BTGQYAHIAOCXDL-QHCPKHFHSA-N 482.277 -0.234 50 20 JBGD CCS(=O)(=O)CC(=O)N1CCC(OC2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1 1836848722 UFCNIIHNCHFWFA-UHFFFAOYSA-N 460.597 -0.207 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)N1C[C@H]3C[C@@H]3C1)CCO2 1837284241 QRZWTBOHYSFESN-ZTQYAQQFSA-N 486.573 -0.083 50 20 JBGD COc1ncc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)cc1C 1837455978 ALXHDJDYMBDQQK-HSZRJFAPSA-N 484.513 -0.219 50 20 JBGD CCc1[nH]nc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cnccc4C(=O)NN)CCO3)C2)c1F 1837456622 LJKCJIVOKSNKAJ-OAQYLSRUSA-N 475.481 -0.507 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c[nH]c4cnccc34)C2)C1 1837459497 SDHHVVGZZIXERV-HSZRJFAPSA-N 479.497 -0.055 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnc(Cl)n3)C2)C1 1837460005 YRNRJKCCBUYNTE-HXUWFJFHSA-N 475.893 -0.488 50 20 JBGD CN(CC(=O)N1CCCC12CN(C(=O)[C@H](CCl)NC(=O)OC(C)(C)C)C2)C(=O)C(=O)O 1845808902 SPNHXZPDCPPBAS-LBPRGKRZSA-N 460.915 -0.135 50 20 JBGD C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)nnc12 729276056 WIIHRWACOZCAMV-NSHDSACASA-N 479.544 -0.593 50 20 JBGD O=C(CN1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1)NNC(=O)c1ccc(F)cc1 731356211 UYJBIOYHKUDVRU-UHFFFAOYSA-N 491.501 -0.076 50 20 JBGD C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NNC(=O)[C@H]3CCS(=O)(=O)C3)nnc12 800504335 AUBWVXWMDXGXGD-LBPRGKRZSA-N 476.540 -0.096 50 20 JBGD NS(=O)(=O)c1ccc(F)c(C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)c1 825151125 WUOVSMGQOUHNHV-OAHLLOKOSA-N 453.404 -0.383 50 20 JBGD O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 912638336 AKTTVNFYDCIQJM-KODHJQJWSA-N 488.522 -0.724 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H]1CC(=O)N(C3CCCC3)C1)CCO2 1783933655 UQVLYQHAYUETNX-GAJHUEQPSA-N 463.579 -0.020 50 20 JBGD C[C@@H](CC(N)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN(C)NC(=O)NCc3ccccc3)C[C@@H]21 1784600088 KKFINOKDGSOHHC-LEAZDLGRSA-N 488.589 -0.176 50 20 JBGD COc1cc(CCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)ccn1 1785103964 QBMQJZXFPLMCOD-JBACZVJFSA-N 467.331 -0.004 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1cc(O)cc([N+](=O)[O-])c1 1790215170 LGZWUWVGHSHNRB-GKCIPKSASA-N 469.259 -0.113 50 20 JBGD CS(=O)(=O)Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc(B(O)O)c2)C3)cn1 1796538130 QVHVXPWVKICZBI-ACDBMABISA-N 471.344 -0.128 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1cc([N+](=O)[O-])cc2c1OCC2 1798519849 NCGFPIZLDDPVNV-CWPLJXCYSA-N 481.270 -0.274 50 20 JBGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1csc2c1c(=O)n(C)c(=O)n2C 1799062802 PXNGLRZOVVEZSP-UMPJEAMMSA-N 498.989 -0.315 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)c2cnc(O)nc2O)[C@@H]1c1cccnc1 1813071531 UEHOSXSJULUDAV-KBXCAEBGSA-N 457.491 -0.025 50 20 JBGD CCS(=O)(=O)N[C@@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815350366 SHAQYGUJWJXXGC-FZMZJTMJSA-N 480.377 -0.624 50 20 JBGD CCOC(=O)N[C@H](O)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CCC(=O)NN(C)C)CC2 1819473023 NIARVBZIHWPHEP-MGPLVRAMSA-N 456.525 -0.507 50 20 JBGD NNC(=O)c1ccncc1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1c[nH]c(=O)cn1)CC2 1819797862 NHMVCNYYMVGKDU-VIFPVBQESA-N 454.472 -0.236 50 20 JBGD C[C@@H](O)[C@H](NC(=O)c1ccccc1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830719777 KHOGNADWJVCFCB-VIRVFLBCSA-N 483.949 -0.778 50 20 JBGD CCS(=O)(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1 1831324274 RWOULNASSCNVTL-CRAIPNDOSA-N 465.645 -0.378 50 20 JBGD Cc1ccncc1CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1833009824 MQPMTDJQJLDCFU-XMMPIXPASA-N 467.331 -0.227 50 20 JBGD N[C@@H](Cc1cccnc1)C(=O)NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1835095655 FHGIRQAWUSEVKN-QHCPKHFHSA-N 479.390 -0.483 50 20 JBGD CCC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(=O)n4[nH]cnc4n3)CCO2)C1 1835921112 SYSFUTUMAZPUTN-ORAYPTAESA-N 452.899 -0.105 50 20 JBGD O=C(c1ccc2ncoc2c1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835930723 WDSOFFIHPWZTIA-QHCPKHFHSA-N 465.271 -0.109 50 20 JBGD O=C(CCc1cccc([N+](=O)[O-])c1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835934438 ZRUFCHKCQGEWSH-XMMPIXPASA-N 497.313 -0.023 50 20 JBGD Cn1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)c2cccnc21 1837189594 WXVYMGGYNCDIOT-DEOSSOPVSA-N 493.524 -0.044 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1ON=C(c3ccccc3)O1)CCO2 1837293048 SVVVZQJYECRUQK-RPWUZVMVSA-N 495.297 -0.829 50 20 JBGD Cc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)cn1 1837457082 VGLCXBPMYGLMAO-HSZRJFAPSA-N 468.514 -0.299 50 20 JBGD O=C(CNC(=O)C(F)(F)F)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839202663 MHZCZSYZFQVEKU-MFKMUULPSA-N 464.210 -0.188 50 20 JBGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)NC(=O)OC(C)(C)C)CCO2 1839388371 PAULYZFQMITZGK-NJSLBKSFSA-N 465.931 -0.460 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)C3(NC(=O)OC(C)(C)C)CC3)C2)C1 1840187035 IEFNIOHZWFZYQQ-QFIPXVFZSA-N 497.593 -0.127 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1840187294 RFSDWULZPIHXPH-KURNWNDPSA-N 492.529 -0.354 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN1CCS(=O)(=O)CC1 1848070206 GPJOPXTYXPZAQY-SLKXRBMJSA-N 464.548 -0.947 50 20 JBGD O=C(NNC(=O)c1c(F)ccc(S(=O)(=O)NC2CC2)c1F)N[C@@H]1CCS(=O)(=O)C1 729841500 ZJWKVUMNHLXHEI-SECBINFHSA-N 452.461 -0.463 50 20 JBGD COc1cc(N2C[C@@H](C(=O)NNC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2=O)cc(OC)c1OC 919888722 GLPCULHPUXUXIK-NWDGAFQWSA-N 470.504 -0.417 50 20 JBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)N[C@@H]3CCCN(S(C)(=O)=O)C3)nc2)CC1 920240219 NQUOHMSLYXJQKV-CQSZACIVSA-N 475.597 -0.932 50 20 JBGD COCCN1C(=O)/C(=C/NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)C(=O)NC1=S 920978050 RJPXVSYTTIKSLN-GXDHUFHOSA-N 469.545 -0.990 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CC[C@@H](N)C(N)=O)C2 1778090969 AGIBZTUHKZBQFD-DCWONSCOSA-N 475.550 -0.773 50 20 JBGD C[C@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cnccc1C(=O)NN)C2)N1CCN(C)CC1 1780639289 ZKHWQALYJFJSHM-WSCWJOSJSA-N 487.605 -0.552 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)[C@H]1COc2ccccc2O1 1785038762 MFUHJVIWCHQNBN-KCOOCBJMSA-N 466.299 -0.200 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3ccncc3=O)C[C@@H]21 1787507540 AVUQRCGYUJKTHT-GZERKGCBSA-N 469.502 -0.643 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COC(=O)C(F)(F)F)C[C@@H]21 1791291286 ROHSROHOEYRTAO-AVGNSLFASA-N 452.430 -0.555 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc3ncnn3c1)C2 1796441736 WVJIKKVRLAMNKZ-FKWFMORESA-N 478.513 -0.005 50 20 JBGD O=C(CCN1C(=O)C=CC1=O)N1CCC2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)CC1 1809977204 AAISBEJQKIYPNA-UHFFFAOYSA-N 453.304 -0.474 50 20 JBGD CNC(=S)NCCC(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834798518 FSTYKZGJHKGYFY-UHFFFAOYSA-N 475.424 -0.964 50 20 JBGD CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1835677997 UAXAWCSZEXBRJY-QFIPXVFZSA-N 473.534 -0.963 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)c3cccn(C(F)F)c3=O)C2)C1 1835930337 GUCZWUTVNPBQOF-QFIPXVFZSA-N 491.256 -0.693 50 20 JBGD CSc1ncccc1C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835930950 ARIJXGWYBSTDGJ-QFIPXVFZSA-N 471.344 -0.133 50 20 JBGD N#CCc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)cc1 1835932255 WRQPWHLGYCLFNN-XMMPIXPASA-N 463.299 -0.184 50 20 JBGD COc1cccnc1CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835935284 MRMYFEYEQJUYCL-XMMPIXPASA-N 483.330 -0.527 50 20 JBGD CC(C)(C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1)c1ccccn1 1835939867 LITDBBQUXBUWQX-XMMPIXPASA-N 467.331 -0.191 50 20 JBGD Cc1cnc2c(C(=O)N3CCO[C@@]4(COCCN(C(=O)c5ccc(B(O)O)cc5)C4)C3)cnn2c1 1836947164 ORAIOZBHRPNFIF-HSZRJFAPSA-N 479.302 -0.899 50 20 JBGD CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837459515 HGQXFKQUYPTTKV-VFNWGFHPSA-N 462.507 -0.444 50 20 JBGD COC(=O)c1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)s1 1839035371 LFJDXEVPBMDHJQ-JOCHJYFZSA-N 496.586 -0.093 50 20 JBGD CC[C@H](Cl)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](Cc1cnc[nH]1)NC(C)=O)CCO2 1840371544 PNMSJLZXHQWXGA-QKLQHJQFSA-N 455.943 -0.069 50 20 JBGD Cn1c(=O)c2c(ncn2CCC(=O)NNC(=O)COc2ccc(Br)cc2)n(C)c1=O 16225674 RNUVCBNSLFHCQA-UHFFFAOYSA-N 479.291 -0.187 50 20 JBGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)[C@@H]2CCCN2C(=O)CNC(C)=O)c1 728512085 MFRVPLHLIKYPAN-KRWDZBQOSA-N 467.548 -0.395 50 20 JBGD COCCn1cnc2c1c(=O)n(CC(=O)NNC(=O)c1cccc[n+]1[O-])c(=O)n2Cc1ccccc1 916147762 CCKYFNDOZCFBHZ-UHFFFAOYSA-N 493.480 -0.851 50 20 JBGD COc1cc(F)c(S(=O)(=O)NNC(=O)C(C)C)cc1S(=O)(=O)NNC(=O)C(C)C 921295497 PEMZJZOHGJABRC-UHFFFAOYSA-N 454.502 -0.235 50 20 JBGD CC(=O)N(C)[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnccc2C(=O)NN)C1 1779373144 GDSHLVIIOAVRQX-JPEVHGAISA-N 460.535 -0.321 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)c3cn4c(F)cccc4n3)C2)C1 1782371199 RNWDSYOGMOSANM-QFIPXVFZSA-N 452.251 -0.090 50 20 JBGD CN(CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3CCNC(=O)C3)C2)C1)NC(=O)NCc1ccccc1 1784042453 ZUMMBROFTRLDQV-DVECYGJZSA-N 486.573 -0.311 50 20 JBGD CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21 1791108216 XHIMTRIFQQBKBZ-DBWAAGBOSA-N 475.970 -0.064 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1Cc3[nH]nc(C(F)(F)F)c3C1)C2)c1ccc(B(O)O)cc1 1795736991 STHDWXYECRQWQZ-FLTUCWPJSA-N 492.263 -0.274 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC(F)(F)C(=O)O 1796350716 DALIPJLMNVSOIE-IGRYJHFFSA-N 455.418 -0.180 50 20 JBGD CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](O)CCl)C3)C1 1797119416 FWXYTRCVZSYYCZ-PHPOFCCKSA-N 475.970 -0.206 50 20 JBGD COc1cc(OC)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)c1 1798896715 WUEYZTURQITJDY-UPHUGPLXSA-N 454.288 -0.099 50 20 JBGD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(C(=O)O)ncn1)CC2)c1cccc(B(O)O)c1 1815354741 CAMVCWAMSSGJGO-LBPRGKRZSA-N 467.272 -0.149 50 20 JBGD CC(=O)N1CCN(CC(=O)Nc2nc3c(s2)C[C@@H](NC(=O)CCC(=O)NN(C)C)CC3)CC1 1818898231 BECWNZPYGMHEKU-HNNXBMFYSA-N 479.607 -0.408 50 20 JBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1CCc2nc(NC(=O)COc3ccc(O)nn3)sc2C1 1824561372 IUHRPGANYLBHOZ-SNVBAGLBSA-N 484.498 -0.058 50 20 JBGD CN1CCCn2nc(C(=O)N3CCOC[C@]4(C3)CN(C(=O)[C@H](O)CCl)CCO4)cc2C1 1830735061 CPEPWWARBQIINR-XLIONFOSSA-N 455.943 -0.612 50 20 JBGD O=C(CCBr)NC1CCN(C2CCN(C(=O)[C@H](O)N3CCOCC3)CC2)CC1 1834423642 BSSNWZOTWQMNMB-IBGZPJMESA-N 461.401 -0.006 50 20 JBGD Cn1cccc1C(=O)C(=O)N1CCC(N2CCC(NC(=O)c3cccc(B(O)O)c3)CC2)CC1 1834801561 XROXQMBSSZOIFZ-UHFFFAOYSA-N 466.347 -0.227 50 20 JBGD CC[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)CNCP(=O)(O)O)CCO2)C1 1835542684 ZSQSPDVNZCDSQK-WFASDCNBSA-N 472.273 -0.659 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)c3cccc4[nH]ncc34)C2)C1 1835935841 UWGDRXHJLAWUSU-HSZRJFAPSA-N 464.287 -0.374 50 20 JBGD Cc1cnc2c(C(=O)N3CCOC[C@@]4(CN(C(=O)c5cccc(B(O)O)c5)CCO4)C3)cnn2c1 1835936942 LFONMMXELDADOD-HSZRJFAPSA-N 479.302 -0.899 50 20 JBGD Cc1cccc2c(C(=O)N3CCOC[C@@]4(CN(C(=O)c5cccc(B(O)O)c5)CCO4)C3)n[nH]c12 1835939142 GPDOAKGOAWGAEZ-XMMPIXPASA-N 478.314 -0.065 50 20 JBGD C[C@@H](NC(=O)c1ccccc1)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835941149 JARRGYJOMDMTBP-IQGLISFBSA-N 495.341 -0.745 50 20 JBGD Cc1c(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cnccc4C(=O)NN)CCO3)C2)cnn1C 1837456895 PLPMFEGTLFPLNM-NRFANRHFSA-N 457.491 -0.889 50 20 JBGD Cc1ncc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)s1 1837459630 UCJHJXWLNWPJCA-HXUWFJFHSA-N 460.516 -0.166 50 20 JBGD Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)n[nH]1 1837588320 KANRSHXYTZDCBY-NRFANRHFSA-N 457.491 -0.971 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)O)C2)C1 1838528153 ICFMCWWOZMZSDW-ZUOKHONESA-N 451.432 -0.029 50 20 JBGD CC(=O)N1CCN(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@](C)(Cl)CCl)CCO3)CC1 1839152626 GMVYNDRLQHYHRR-PMACEKPBSA-N 479.405 -0.157 50 20 JBGD C[C@H](Oc1cccnc1)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1840454713 QGHQIZWVCFZIOX-JTSKRJEESA-N 463.535 -0.322 50 20 JBGD CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)N1CCCC12CN(C(=O)c1ccc(B(O)O)cc1)C2 1843104205 APJDDDNJXGZSBI-ROUUACIJSA-N 473.335 -0.446 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCCC12CN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O)C2 1846385614 ZYELHTUISWOEPY-CVEARBPZSA-N 467.567 -0.209 50 20 JBGD CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 728455300 GAOYIZXEWAIDHZ-QGZVFWFLSA-N 465.532 -0.641 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)[C@H]3Cc4[nH]nc(C(F)(F)F)c4C3)C2)C1 1782845499 IRDVORWUTHTOCH-SPLOXXLWSA-N 492.263 -0.033 50 20 JBGD CCC[C@H](NC(C)=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2 1783185320 XWWASSNYWULKQJ-MIZPHKNDSA-N 459.352 -0.201 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1ncn(-c2ccccc2)n1 1787584160 QEGCZZHBXKJENB-YYWHXJBOSA-N 475.314 -0.146 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)[C@@H]1CC(c2ccccc2)=NO1 1793280100 WMFWIBFHRXQCLK-UDKICSLYSA-N 463.299 -0.237 50 20 JBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc3c1NC(=O)C3=O)C2 1801011568 OAERSMKPHFFLJT-IVWMJMPLSA-N 457.487 -0.602 50 20 JBGD O=C(NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1)c1cc(=O)nc2cccnn12 1811336447 RWGQKYHGKXERJS-JPYJTQIMSA-N 498.308 -0.202 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H](CNC(=O)CN(CCO)CCO)[C@@H]1c1cccnc1 1812713986 HXWXAILUWZKJGM-YEYZRDMLSA-N 499.572 -0.492 50 20 JBGD CCOc1ncccc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1829539472 AXCNOEPEJYGUCG-HSZRJFAPSA-N 469.303 -0.456 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C4CC4)on3)CCO2)C1 1830196751 YDLDIESMFDCEMX-QFIPXVFZSA-N 470.486 -0.066 50 20 JBGD Cn1c(=O)n(C)c2cc(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)[C@@H](O)CCl)CCO4)ccc21 1830727791 FHAXRKQGAYALNP-LAUBAEHRSA-N 466.922 -0.453 50 20 JBGD CC(C)(C)OC(=O)N1CCOC[C@H]1C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](O)CCl)CCO2)C1 1830727927 KPNFETZQUWAAIE-GCKMJXCFSA-N 491.969 -0.322 50 20 JBGD CC(C)(C)OC(=O)N[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](O)CCl)CCO2)C1)C(C)(C)O 1830738961 WLXQQPCFHMLDBO-PZPWOCDFSA-N 493.985 -0.293 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)CC(N)=O)CCO2 1831603571 KTSCVRLNXXMYKI-OECUGOBDSA-N 462.507 -0.912 50 20 JBGD NC(=O)c1ncccc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1833315239 PFGYBDCPEUGAEL-SUMWQHHRSA-N 459.272 -0.059 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnc(C)cn1)CCO2 1834082359 VVABBGLMJLNSKQ-XDEFOSFOSA-N 469.502 -0.011 50 20 JBGD CN(CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1nccn1C)CCO2)NC(=O)NCc1ccccc1 1834397242 IJXOSZFKQKZJFT-XMMPIXPASA-N 499.572 -0.164 50 20 JBGD COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)cc1 1835067025 LGEZOXOKJOWZNI-DEOSSOPVSA-N 468.315 -0.312 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)c3cc4n(n3)CCCC4)C2)C1 1835930212 BZHQIHKTHMGTCL-QHCPKHFHSA-N 468.319 -0.717 50 20 JBGD C[C@H](Nc1ccccn1)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835930568 NIYPEWCXEQUWQY-SBUREZEXSA-N 468.319 -0.668 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)c3cccc4c3OCCO4)C2)C1 1835937418 VGHFACQIBAMAER-XMMPIXPASA-N 482.298 -0.479 50 20 JBGD Cc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)c(O)n1 1835938168 NZTNBYUHGSANMD-QFIPXVFZSA-N 455.276 -0.841 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc3cccnc3n1)CCO2 1836831261 ONKUKKNLVCPXLP-XMMPIXPASA-N 476.298 -0.307 50 20 JBGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(=O)nc4cccnn34)CCO2)C1 1838503521 YKLOWLQQRAONLR-VBKZILBWSA-N 465.894 -0.587 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cc[nH]n3)CCO2)C1 1839721116 SLUZQJISLLRTNU-MNQDVBFDSA-N 457.491 -0.457 50 20 JBGD CCOC(=O)O[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840184962 IGISGHLRKZFCJT-QRWLVFNGSA-N 458.512 -0.623 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cnc4ccccc43)C2)C1 1840185238 MRDQMAAZQUNHEC-QHCPKHFHSA-N 472.546 -0.134 50 20 JBGD Cn1cccc1C(=O)NNC(=O)C1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 733368401 FCDGLTADRXLYTL-UHFFFAOYSA-N 469.545 -0.466 50 20 JBGD O=C(/C=C1\C(=O)Nc2ccccc21)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1788534510 IVKGHZYGBHTSCF-DFFOJIANSA-N 475.310 -0.005 50 20 JBGD CCC[C@@H](NC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1 1788611363 XAWAJFJYDAFCMP-FZDIXFNVSA-N 460.535 -0.417 50 20 JBGD O=C(Cc1cn2c(nc1=O)SCC2)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21 1789708902 KMHIENOAVGPXAW-MHEUCROKSA-N 456.952 -0.529 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CNC(=O)C1)C2 1793879258 SRKJXRXTNIUWJM-HAFSJTIUSA-N 458.943 -0.156 50 20 JBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CC[C@@H]3CCC(=O)N3C1)C2 1797752813 IJJIFFJBUGOKPQ-SGWZHLPASA-N 470.530 -0.711 50 20 JBGD COCCOCCOCCOCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(B(O)O)c1)C2 1802097490 FBANHQXDDPZFED-WKCHPHFGSA-N 478.351 -0.686 50 20 JBGD CC[C@H](NC(C)=O)C(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807360995 UQFGRTDETYQUOP-JBACZVJFSA-N 452.320 -0.004 50 20 JBGD O=C(NC[C@H]1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807369624 QLNCNSYQTSWUDT-UTKZUKDTSA-N 478.274 -0.114 50 20 JBGD O=C(NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1)c1cc(O)nc(O)n1 1808294835 CGOYWIWNVZEKFR-BEFAXECRSA-N 463.259 -0.404 50 20 JBGD CN1CCN(CC(=O)N[C@H]2CCc3nc(NC(=O)c4cnccc4C(=O)NN)sc3C2)CC1 1819796733 BGTOLXUVPSSHKU-ZDUSSCGKSA-N 472.575 -0.385 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)c1cc(Cl)cnc1O)CCO2 1829560303 MLXXEBFEQLUQRI-NRFANRHFSA-N 475.694 -0.496 50 20 JBGD O=C(c1ccc2ccnn2c1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835931810 DDDARIILURUIKV-HSZRJFAPSA-N 464.287 -0.602 50 20 JBGD CCn1nc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)cc1C 1835938304 RSNFLNUIOFEIGA-JOCHJYFZSA-N 456.308 -0.725 50 20 JBGD CCCC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1837679935 XQFKADXRFNFORS-IERDGZPVSA-N 455.556 -0.879 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1cnn3cccc(F)c13)CCO2 1839619200 YWPPRRJQPCIXFD-HSZRJFAPSA-N 482.277 -0.463 50 20 JBGD C[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1840031809 CQSCHQNFYYRWNX-ACJLOTCBSA-N 455.114 -0.780 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(O)c([N+](=O)[O-])c3)C2)C1 1840184905 FHYQFMLLVDGKMS-OAQYLSRUSA-N 479.490 -0.257 50 20 JBGD CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1CCCC12CN(C(=O)c1ccc(B(O)O)cc1)C2 1845229618 KOBMNIMOEPPZSR-QGZVFWFLSA-N 461.324 -0.541 50 20 JBGD COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1 750195359 PPVOEXIHOJILQV-UGSOOPFHSA-N 493.494 -0.107 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)c3ccc4c(c3)CNC4=O)CCO2)C1 1779032341 NPSDVDUWSZWCOK-QHCPKHFHSA-N 464.482 -0.314 50 20 JBGD COC[C@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(=O)n3[nH]nnc3n1)C2 1782170550 PXXVECASWAISMM-WHWRDJHUSA-N 453.887 -0.806 50 20 JBGD CC(C)(C)OC(=O)N1CCN(CC(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)CC1 1785346044 YKPUJKYADKDDLK-KKSFZXQISA-N 474.986 -0.031 50 20 JBGD O=C1CCc2ccc(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)c5ccc(B(O)O)cc5)C[C@@H]43)nc2N1 1787267230 ACXYAEMFEUPJPP-QRFRQXIXSA-N 478.314 -0.447 50 20 JBGD CC(C)(C)OC(=O)N1CCOC[C@@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2 1793603900 HXNJLELQFCMVFS-YIDVYQOGSA-N 461.943 -0.188 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1 1796192928 YUFPEBAJYKNEAS-MHORFTMASA-N 488.350 -0.613 50 20 JBGD COC(=O)c1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(=O)NN(C)C)C3)cc1 1801145526 ZKLVWGDTSMJCHV-OPMZPASUSA-N 460.531 -0.022 50 20 JBGD C[C@H](CC(N)=O)C(=O)NC[C@@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1803666818 LXOVFQCYPWXHMN-FRIZHTMISA-N 453.503 -0.089 50 20 JBGD NCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cnccc1C(=O)NN)CCN2C(=O)OCc1ccccc1 1829134310 ZFOULEQOJDRHKH-DEOSSOPVSA-N 495.540 -0.291 50 20 JBGD CC(C)(C)OC(=O)N[C@H](CCO)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](O)CCl)CCO2)C1 1830719812 LIKDPADNCBMBBE-QEEYODRMSA-N 479.958 -0.682 50 20 JBGD CCOC(=O)c1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)ccn1 1830730883 FLZDIMGICAMZTF-UZLBHIALSA-N 455.895 -0.072 50 20 JBGD CC[C@H](Br)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)NS(=O)(=O)CC)CCO2 1831330715 VFWQKWPUJFSKEB-ZQIUZPCESA-N 484.413 -0.056 50 20 JBGD CCS(=O)(=O)N[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](O)CCl)CC2)CC1 1833306656 VVHYQZAJSCMXMZ-CJNGLKHVSA-N 453.005 -0.515 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(O)cn1)CCO2 1834586909 PQRMMKNLSXYHIT-IBUSPFOHSA-N 470.486 -0.009 50 20 JBGD C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)CCBr)CCO2)C1)N1CCN(C)CC1 1834824006 QUJNAJQTVWGJRD-APWZRJJASA-N 461.401 -0.136 50 20 JBGD C[C@@H](C(=O)N1CCC(N2CCC(NC(=O)c3cnccc3C(=O)NN)CC2)CC1)n1ccnn1 1835738225 NEOYCBLJZUTKGV-HNNXBMFYSA-N 469.550 -0.277 50 20 JBGD O=C(Cc1ccc(F)cc1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835935685 MHSOEVOLPHUXPV-HSZRJFAPSA-N 456.279 -0.182 50 20 JBGD O=C(c1cc[n+]([O-])cc1)N1CCC(OC2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1837921324 ZSGRMIUJLVOCSP-UHFFFAOYSA-N 453.304 -0.074 50 20 JBGD CCS(=O)(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](F)Br)CCO2)C1 1839198600 KDZPSPNZYKXBBB-JMSVASOKSA-N 474.349 -0.539 50 20 JBGD Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)cc1O 1839266370 XLTVSVKGDBNMBO-QHCPKHFHSA-N 454.288 -0.236 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1n[nH]c3ccc(C#N)cc13)CCO2 1839489424 UYVJPWCDUAETFD-QHCPKHFHSA-N 483.529 -0.122 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1Cc3ccccc3N1)CCO2 1839735140 OWMVUFKMWDEEAF-XUZZJYLKSA-N 465.315 -0.527 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(C(F)(F)F)cn3)C2)C1 1840184057 PISPDYSIIVHFSM-LJQANCHMSA-N 488.467 -0.062 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4n(n3)CCCO4)C2)C1 1840184351 HPXJORXKYQLGLW-NRFANRHFSA-N 464.523 -0.891 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCCC12CN(C(=O)C[C@H](O)CNC(=O)OC(C)(C)C)C2 1846385484 LVKLGNGELWAJGL-HNNXBMFYSA-N 455.556 -0.162 50 20 JBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)cc1 23075877 MRAPXDIYNZLHLW-UHFFFAOYSA-N 474.499 -0.978 50 20 JBGD COc1cc(C=NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)cc(Cl)c1OCC(N)=O 745988745 JNKYMIKUGSDEPP-UHFFFAOYSA-N 470.895 -0.753 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)c3ccc4c(c3)NC(=O)CO4)CCO2)C1 1779031714 DUGLSCCFWUKTCN-HSZRJFAPSA-N 480.481 -0.227 50 20 JBGD CCOC(=O)/C=C/C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnccc2C(=O)NN)C1 1779371222 TWNJUXOUTHAMHV-VRJXGNDESA-N 459.503 -0.068 50 20 JBGD COC(=O)[C@@H]1CC=CC[C@H]1C(=O)N1CC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1783851325 MJFCTXZNTSLOAF-DNVFCKCGSA-N 456.304 -0.435 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc4nc(CO)[nH]c4c3)C[C@@H]21)c1ccc(B(O)O)cc1 1786979713 NITGGBVYTZTSHU-MDKPJZGXSA-N 478.314 -0.358 50 20 JBGD Cc1nnc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cnccc4C(=O)NN)C[C@@H]32)s1 1787057521 XANCBKDVINAZJI-RCBQFDQVSA-N 459.532 -0.319 50 20 JBGD O=C(CCN1C(=O)c2ccccc2C1=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1793863024 JSRPSBYCIGGCHN-FAQVEIGNSA-N 491.309 -0.744 50 20 JBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc3c1OCCO3)C2 1797750517 DNGFURFUPPLWRG-HBCWATKFSA-N 467.482 -0.027 50 20 JBGD COC(=O)c1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)cn1 1797750970 XKNRKNUFJQVALH-ZSBFGKGUSA-N 468.470 -0.616 50 20 JBGD CC(C)(C)OC(=O)N1C[C@](C)(O)C[C@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2 1800825309 LPEXURMDUSGIPO-PNVHDIKGSA-N 475.970 -0.064 50 20 JBGD NC(=O)c1nccnc1C(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1811185016 OKRYXCROERZVCS-OXQOHEQNSA-N 474.286 -0.716 50 20 JBGD COC[C@@H](NC(C)=O)C(=O)N[C@H]1CCc2nc(NC(=O)c3cnccc3C(=O)NN)sc2C1 1819798048 RWRJVSJVIFRSEW-XHDPSFHLSA-N 475.531 -0.482 50 20 JBGD CN[C@@H](CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cnccc2C(=O)NN)CC1)C(=O)O 1826944787 CQZUNVGQPXKRJG-ZWKOTPCHSA-N 460.535 -0.019 50 20 JBGD CC(C)(C)OC(=O)NCCOCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830726857 USKMPJOTGLIHDT-IIBYNOLFSA-N 493.985 -0.026 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCC(=O)N3)C2)C1 1832549460 PWYSHJSHEKCYIQ-VFCRVFHLSA-N 488.969 -0.147 50 20 JBGD C[C@](Cl)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)C[C@@H]3NC(=O)NC3=O)CCO2)C1 1832696615 FECZKVDVYDHSML-MZPVMMEZSA-N 451.307 -0.723 50 20 JBGD COc1ncccc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1834128429 BOLZFJXQGGAGCY-JOCHJYFZSA-N 470.486 -0.528 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)Cc3ncccn3)CC2)CC1)c1cccc(B(O)O)c1 1834800076 STWJCXSFTIPLIG-UHFFFAOYSA-N 451.336 -0.416 50 20 JBGD Cc1nc(N)sc1C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1835808401 VXKFQAJAODKFRC-LJQANCHMSA-N 454.553 -0.523 50 20 JBGD CC(C)c1nc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)no1 1835927890 ZTIGGJHKILGENL-QFIPXVFZSA-N 472.307 -0.815 50 20 JBGD CC(=O)Nc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)o1 1835937907 AWXLYZYTHFRFBR-JOCHJYFZSA-N 471.275 -0.698 50 20 JBGD Cc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cnccc4C(=O)NN)CCO3)C2)n(C)n1 1837456590 KVVSKIONCYMNEC-OAQYLSRUSA-N 457.491 -0.889 50 20 JBGD C[C@@H](Cn1cncn1)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1837919219 RBNAYCFHCAXWLX-KRWDZBQOSA-N 469.351 -0.094 50 20 JBGD O=C(COc1ccc(O)nn1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839202881 SFVDZLKPOVUPBY-HOCLYGCPSA-N 463.260 -0.292 50 20 JBGD C[C@@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)CN(C)NC(=O)NCc3ccccc3)C2)C1 1840026261 FUKZTJCTFJXUAW-VGSWGCGISA-N 463.535 -0.830 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(CN(C(=O)CC3(O)CCC3)CCO2)C1 1840593604 WUTQXKGRXQGQAL-ZHNJOBQTSA-N 461.519 -0.118 50 20 JBGD COc1cc2c(cc1OC)[C@H](CC(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1)N(S(C)(=O)=O)CC2 731761578 SCERLHOPXKYXIN-ZFWWWQNUSA-N 489.572 -0.465 50 20 JBGD CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NNC(=O)CNC(=O)c2cccs2)c1 751209402 POOMLLOOHRPOEZ-UHFFFAOYSA-N 469.545 -0.482 50 20 JBGD O=C(COC(=O)CCn1nnc2ccccc2c1=O)NNC(=O)[C@H]1COc2ccccc2O1 753841738 DFGLHMSJWVETAC-QGZVFWFLSA-N 453.411 -0.288 50 20 JBGD Cc1cc(C)n(CC(=O)NNC(=O)c2cccc(C(=O)NNC(=O)Cn3nc(C)cc3C)n2)n1 917391662 CLAWOULBYJAXOB-UHFFFAOYSA-N 467.490 -0.369 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1CCCS1(=O)=O)C2 1779374133 CAVQJECLDVCCOG-CSODHUTKSA-N 479.559 -0.610 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(=O)N(C)C 1792627333 ZEXMPDSCJLVFGP-HBCWATKFSA-N 477.474 -0.006 50 20 JBGD CCS(=O)(=O)N[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)CBr 1792868829 QUZIEYRSAOVYGN-YHQUGGNUSA-N 454.387 -0.065 50 20 JBGD COc1cccc(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)n1 1794014029 JECPNANJVIZTAH-FAQVEIGNSA-N 453.304 -0.394 50 20 JBGD O=C1CSc2cc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)c3ccc(B(O)O)cc3)ccc2N1 1795734567 SYMJMESLMKBVQT-VPTLXERWSA-N 481.339 -0.072 50 20 JBGD COC(=O)c1ccccc1CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795737752 PVTUIIHCQHWFRK-BBIADKPPSA-N 480.326 -0.011 50 20 JBGD C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C 1801014044 BMNPNZXJGFCVSM-AXVVYFOYSA-N 479.578 -0.134 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H](CNC(=O)CC[C@@H](N)C(N)=O)[C@@H]1c1cccnc1 1807192944 YUDUADVKZZBONF-XWMQAAEKSA-N 482.545 -0.186 50 20 JBGD NC(=O)c1nccnc1C(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807361405 PPFUUNNXOCUXFS-UZLBHIALSA-N 474.286 -0.716 50 20 JBGD O=C(/C=C\C(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)NC1CC1 1807375494 PNWKCRKXQHQULP-IKZVLANPSA-N 462.315 -0.084 50 20 JBGD CC(=O)N[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1810305936 QOZTYLGSMHKSTQ-VVFCZOMOSA-N 453.503 -0.076 50 20 JBGD NNC(=O)c1ccncc1C(=O)N[C@H]1CCc2nc(NC(=O)c3nccnc3C(N)=O)sc2C1 1821036866 PSPVWTFISSOVOT-VIFPVBQESA-N 481.498 -0.430 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CN2CC(=O)NC2=O)CC1 1828923639 QNZZTLQCHRFXRJ-QGZVFWFLSA-N 471.518 -0.530 50 20 JBGD C[C@@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1830544147 OJABKBMDAFRVCU-KSSFIOAISA-N 463.373 -0.153 50 20 JBGD Cc1nn(C)cc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1831872487 LDXSNIYDGCXTEI-OAQYLSRUSA-N 457.491 -0.889 50 20 JBGD Cc1cccnc1CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1832775978 IBMURPUPEYWOOJ-DEOSSOPVSA-N 467.331 -0.227 50 20 JBGD C[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1)c1ccc(O)cc1 1835931644 VRSYYGNOOSHKHE-MZNJEOGPSA-N 468.315 -0.054 50 20 JBGD Cc1nc(F)ccc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835931688 XGUDYQCPPABFCK-JOCHJYFZSA-N 457.267 -0.407 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)c3ncc(F)cc3F)C2)C1 1835934108 OGDWWNYQMXBBRP-OAQYLSRUSA-N 461.230 -0.577 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)[C@H]3Cc4ccccc4CN3)C2)C1 1835936918 JVIGXSILJQLNEZ-RCZVLFRGSA-N 479.342 -0.849 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)c1cnc(Cl)s1)CCO2 1838156553 XFJFILYPVFJRDE-IBGZPJMESA-N 465.724 -0.140 50 20 JBGD CCOC(=O)C1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)CC1 1839761500 MWJALCMFWWBZSS-NRFANRHFSA-N 475.502 -0.902 50 20 JBGD CC[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1)N(CC)CC 1840182557 NPVDRPBXTBWCCW-XMSQKQJNSA-N 455.600 -0.064 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc4ccc(F)cn34)C2)C1 1840185375 PDWFQQMDZDYNTK-JOCHJYFZSA-N 476.509 -0.084 50 20 JBGD COc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)c(O)c1OC 1840185855 ZFFVVVVKGOUHAU-QHCPKHFHSA-N 494.545 -0.148 50 20 JBGD O=C1CN(S(=O)(=O)c2cccc(C(=O)NNC(=O)C3CCN(c4ncccn4)CC3)c2)CCN1 728847340 BAMUXINJRLVURM-UHFFFAOYSA-N 487.542 -0.725 50 20 JBGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)NC2CCN(CC(=O)NC)CC2)c1 916517197 YFBCDRSRJWZKPJ-UHFFFAOYSA-N 468.580 -0.129 50 20 JBGD C[C@@H](NC(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)C(=O)N(C)C 916577538 KDMFPZYXRNNTAI-CQSZACIVSA-N 455.537 -0.553 50 20 JBGD CC(C)(C)OC(=O)N[C@H](CCN)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]2C1 1784090096 QWJQXZAKATYYCY-QMHWVQJVSA-N 462.975 -0.192 50 20 JBGD Cc1nn2cc(CC(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)c5cnccc5C(=O)NN)C[C@@H]43)nc2s1 1784849885 GXQFEBZZEVQIRC-KKXDTOCCSA-N 498.569 -0.066 50 20 JBGD C[C@H](NC(=O)c1ccccn1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21 1790586420 OPEDUXZIHJZMJJ-OFVDUGFESA-N 495.540 -0.508 50 20 JBGD CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](O)CCl)C[C@@H]32)C1 1791329722 CIILCRKKYPAYAB-GVZUZGFXSA-N 475.970 -0.062 50 20 JBGD CC(C)(C)OC(=O)N[C@]1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](O)CCl)CCOC1 1792978491 DKGBTGRFKUDQEJ-YJVQVXSTSA-N 461.943 -0.141 50 20 JBGD N#Cc1ccc2[nH]nc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)c3cccc(B(O)O)c3)c2c1 1795741302 STNFKBKBFBIQRR-CWPLJXCYSA-N 459.271 -0.369 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2c(c1)NC(=O)CO2 1797450312 DDJZAKMJHSUMQW-VTEUUUEMSA-N 480.481 -0.467 50 20 JBGD COC(=O)[C@@H]1CC[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)C1 1797748495 FJYBRTVPRIIQAL-KCTHJMFYSA-N 459.503 -0.522 50 20 JBGD COc1ccc2[nH]cc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)c3ccc(B(O)O)cc3)C4)c2n1 1798483174 GSBYQRUOQVZKSE-YVWYUNDQSA-N 464.287 -0.232 50 20 JBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C[C@H](O)CN1C(=O)OC(C)(C)C)C2 1801013322 NXXFRKDXWUAZPU-WFNPHZEWSA-N 497.593 -0.681 50 20 JBGD COc1cc(F)ccc1CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1802178158 LPAAPDXJJMYUKB-FAQVEIGNSA-N 456.279 -0.040 50 20 JBGD O=C(CN1CCS(=O)(=O)CC1)N1CCC([C@H]2CCCCN2C(=O)[C@@H](O)CCl)CC1 1824178559 IUBDKVUAFJRIQY-SJORKVTESA-N 450.001 -0.064 50 20 JBGD O=C(CCc1cnc[nH]1)NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1833787801 BQAPVLJZHAWTHD-UHFFFAOYSA-N 453.352 -0.093 50 20 JBGD O=C(Nc1cccnc1)C(=O)N1CCC(N2CCC(NC(=O)c3cccc(B(O)O)c3)CC2)CC1 1834801278 VECFIVDRTNRAHE-UHFFFAOYSA-N 479.346 -0.415 50 20 JBGD CN(CC(=O)N1CCC(N2CCC(NC(=O)[C@@H](N)CN)CC2)CC1)NC(=O)NCc1ccccc1 1835068258 XCURVMBKEQDULQ-NRFANRHFSA-N 488.637 -0.810 50 20 JBGD O=C(CCc1ccc2c(c1)OCO2)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1835180519 KCYUCJQXAQKHKD-RUZDIDTESA-N 496.325 -0.202 50 20 JBGD CNc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)cc1 1835604801 HNBMUGCTWVJQBY-QHCPKHFHSA-N 453.304 -0.208 50 20 JBGD O=C(Cc1cccc(F)c1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835929382 NFBMQXYHTQABIF-QHCPKHFHSA-N 456.279 -0.182 50 20 JBGD COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)c1 1835938149 NGHUDBTWRKACLT-DEOSSOPVSA-N 479.298 -0.370 50 20 JBGD CN(C)c1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)nc1 1837456632 LTAGGHRPHYAYGS-HSZRJFAPSA-N 483.529 -0.470 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ccoc3)C2)C1 1837461604 ZOOJZZLQMNHSCX-JOCHJYFZSA-N 457.487 -0.019 50 20 JBGD Cn1nc(C(F)(F)F)cc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1838078324 KDYHUNWGWZVXBY-HXUWFJFHSA-N 496.251 -0.498 50 20 JBGD CC(C)(C)n1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)nn1 1838756501 INNMWTMHILIIEN-QFIPXVFZSA-N 471.323 -0.903 50 20 JBGD CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1839209548 HYIOSWBATPICLV-STXHMFSFSA-N 479.958 -0.682 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)c1cn3c(F)cccc3n1)CCO2 1839555004 UVXZVMMDZRQJHV-HSZRJFAPSA-N 482.277 -0.463 50 20 JBGD O=C(c1cnc2c(c1)CCNCC2)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1839692293 NKKXMIXAUIZRLM-GHTZIAJQSA-N 452.939 -0.561 50 20 JBGD CC(C)N[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1)C(C)C 1840183890 HDFCQYHVJBXGOY-IFMALSPDSA-N 455.600 -0.162 50 20 JBGD Cc1cn(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)CBr)C3)C2)c(=O)nc1O 1840805960 KTFVAJFYQCDCES-ORAYPTAESA-N 487.351 -0.255 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCCC12CN(C(=O)c1ccc(-n3c(O)nnc3O)cc1)C2 1846385205 CSRLAYOUPGGUOG-UHFFFAOYSA-N 457.491 -0.132 50 20 JBGD CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)o1 915141534 JGEZZWHGSFNDQM-VXGBXAGGSA-N 477.517 -0.809 50 20 JBGD COCCCNC(=O)NNC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 920862487 LAUNYEPOVJFMLJ-UHFFFAOYSA-N 469.564 -0.025 50 20 JBGD CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]2C1 1784094979 XWOHVZGXUKEKSQ-FQMQPWHVSA-N 475.970 -0.064 50 20 JBGD CN(CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3c[nH]c(=O)cn3)C[C@@H]21)NC(=O)NCc1ccccc1 1789726906 ZPHZTQWVPRYWLV-BJLQDIEVSA-N 497.556 -0.291 50 20 JBGD CN(CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1)C(=O)OC(C)(C)C 1795734782 PRQWPKRAFCPLQE-HGKCTWBKSA-N 461.324 -0.564 50 20 JBGD CC(C)(C)OC(=O)N1C[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](O)CCl)C3)[C@@H](O)C1 1799197244 WNWQBBSRETZADW-KARBZBNUSA-N 461.943 -0.597 50 20 JBGD CC[C@H](NC(N)=O)C(=O)NC[C@@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1808231634 ZNCAJRRNSQOXCF-WBAXXEDZSA-N 468.518 -0.153 50 20 JBGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1)c1cc(O)nc(O)n1 1808298236 XMVDFWLPCKJLKP-HNAYVOBHSA-N 463.259 -0.404 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(=O)n3[nH]cnc3n2)n[nH]1 1817469054 LYMDGWIEBCPTBI-OAHLLOKOSA-N 491.472 -0.241 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1832551390 MCYXZAOIGGSPIY-VBKZILBWSA-N 473.910 -0.337 50 20 JBGD CCc1ncccc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1833514274 MZSMRASQOLHKCP-QHCPKHFHSA-N 453.304 -0.292 50 20 JBGD Cn1cc(C(=O)NC2CCN(C3CCN(C(=O)c4cnccc4C(=O)NN)CC3)CC2)cn1 1834192353 NMICWNBDSQXVGB-UHFFFAOYSA-N 454.535 -0.082 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)CN3CCS(=O)(=O)CC3)CC2)CC1)[C@@H](F)Cl 1835079063 LCBSACWYHCZSKM-QGZVFWFLSA-N 452.980 -0.177 50 20 JBGD CN(C)c1ccncc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835929209 HQKFPZFTJAOKCE-HSZRJFAPSA-N 468.319 -0.789 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)c1cnc3[nH]ncc3c1)CCO2 1836809773 CUIYDANGHCJCEL-QFIPXVFZSA-N 465.275 -0.979 50 20 JBGD Cn1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)c2cccnc21 1837186578 OYMGLOGFYBCNOK-DEOSSOPVSA-N 478.314 -0.363 50 20 JBGD C[C@](Cl)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3nccnc3C(N)=O)CCO2)C1 1838330488 GKOXGPLIJKRKII-ZWKOTPCHSA-N 460.318 -0.118 50 20 JBGD Cc1c(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)cn2[nH]cnc(=O)c12 1838469008 XMZLIKBMOMWDFZ-LIRRHRJNSA-N 453.883 -0.999 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3ccnn3)C2)C1 1838528110 FXUANQAMSHVXSW-NRFANRHFSA-N 488.457 -0.118 50 20 JBGD CN(CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccn3)C2)C1)NC(=O)NCc1ccccc1 1839054190 KVVHSNQPJGJEQT-DEOSSOPVSA-N 497.556 -0.107 50 20 JBGD C[C@@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN(C)NC(=O)NCc3ccccc3)C2)C1 1840026260 FUKZTJCTFJXUAW-VGOFRKELSA-N 463.535 -0.830 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCCC12CN(C(=O)CN1CCN(C(=O)OC(C)(C)C)CC1=O)C2 1846386411 IYKHRYOAPLEYSA-UHFFFAOYSA-N 494.593 -0.358 50 20 JBGD Cc1nc(S(=O)(=O)NCC(=O)NNC(=O)COc2ccc(Br)cc2)cn1C 725877564 AHYOZWTVVIVSOD-UHFFFAOYSA-N 460.310 -0.004 50 20 JBGD CCS(=O)(=O)N1CCC[C@H](C(=O)NNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)C1 918549010 MXWXZUUAQQXRJJ-NSHDSACASA-N 452.942 -0.190 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2nc3ncccn3n2)C1 1778590215 RPTVDVVNUKSMNB-QVKFZJNVSA-N 458.523 -0.375 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(C1)CN(C(=O)c1cccc3c1NC(=O)C3=O)CCO2 1779031977 IIOMXNPWQHPTIM-HSZRJFAPSA-N 478.465 -0.423 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3(N4CCN(C)CC4)CC3)[C@H]2C1 1789806842 NFDAWSZKHYTUGF-INOWORCRSA-N 499.616 -0.120 50 20 JBGD CC(C)(C)OC(=O)NCC1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)CC1 1795736903 NSDDHXYTTGHGOV-IZZQQSIFSA-N 487.362 -0.126 50 20 JBGD COc1ccc([C@H](O)C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)cc1 1795737800 UWRXKLVSQRBWKT-JWWGGVBKSA-N 454.288 -0.688 50 20 JBGD CCS(=O)(=O)N[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C(C)=N/NC(=O)c1ccc[nH]1 1796439708 YBTSHANKYMKSRZ-DQRILPGFSA-N 482.563 -0.962 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1cccc2c1OCCO2 1796960867 HENGSIBPFCOIOG-CWPLJXCYSA-N 452.272 -0.345 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)cc([N+](=O)[O-])c1 1799731648 FBSNUFBZQCGDIY-IVWMJMPLSA-N 470.442 -0.184 50 20 JBGD C[C@H](CS(C)(=O)=O)C(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807360303 QUQAEIHXXRRSOT-ZTNFWEORSA-N 473.360 -0.238 50 20 JBGD O=C1C[C@H](C(=O)N2CC[C@H](CNC(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)CCN1 1807374808 OCBXCTJFWOVNFX-BLIXFSHQSA-N 450.304 -0.393 50 20 JBGD COC[C@H](NC(C)=O)C(=O)NC[C@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1810565677 SAQWQPIRWBPPBB-LVCYWYKZSA-N 462.551 -0.389 50 20 JBGD O=C(/C=C\C(=O)N[C@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1)NC1CC1 1815344029 CSHOZICAAMGYEF-KVPUOBJLSA-N 454.317 -0.117 50 20 JBGD O=C(Cn1cccc([N+](=O)[O-])c1=O)N[C@@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815359793 GBQGGYNDQBBAHC-CQSZACIVSA-N 497.298 -0.181 50 20 JBGD CC[C@H](Br)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)NS(=O)(=O)CC)CCO2 1831330710 VFWQKWPUJFSKEB-GRDNDAEWSA-N 484.413 -0.056 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCC(=O)N1CCCC1)CCO2 1832425112 DDOVPDYLNQNYQA-QFIPXVFZSA-N 467.567 -0.782 50 20 JBGD COc1cccnc1CCC(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1832870341 FGSKKLZQWPRUKE-QHCPKHFHSA-N 477.562 -0.148 50 20 JBGD CS(=O)(=O)N1CCC(C(=O)N2CCOC[C@]3(CN(C(=O)CCBr)CCO3)C2)CC1 1834821239 CWJRTYIWIHOCLV-SFHVURJKSA-N 496.424 -0.101 50 20 JBGD Cc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)cc1O 1835939346 NDNJWEVJLFMYGK-HSZRJFAPSA-N 454.288 -0.236 50 20 JBGD CN(CC(=O)N1CCOC[C@]2(CN(C(=O)Cc3cnc[nH]3)CCO2)C1)NC(=O)NCc1ccccc1 1836488319 NYQMQHIHFYCXRJ-DEOSSOPVSA-N 499.572 -0.245 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCC(OC2CCN(C(=O)CCN3C(=O)C=CC3=O)CC2)CC1 1836994800 UOCCYGROQXEZOJ-UHFFFAOYSA-N 498.540 -0.388 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)c1c[nH]c3cnccc13)CCO2 1837176144 YLDMFSLCVCSTOJ-QHCPKHFHSA-N 464.287 -0.374 50 20 JBGD Nc1n[nH]c(CCC(=O)N2CCC(OC3CCN(C(=O)c4cccc(B(O)O)c4)CC3)CC2)n1 1837921198 KYIJPGYJVGQIAV-UHFFFAOYSA-N 470.339 -0.688 50 20 JBGD CS(=O)(=O)c1ccc(F)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)c1 1839476564 VCNJXTSPIOUHIL-APWZRJJASA-N 478.926 -0.101 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CC(c3ccccc3)=NN1)CCO2 1839635703 BZOFEKUQWXJNJX-RDPSFJRHSA-N 486.573 -0.418 50 20 JBGD COC(=O)[C@H]1CC[C@H](C(=O)N2CCOC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)CC1 1840182510 KNJMNOILAWEUQL-BSRJHKFKSA-N 482.578 -0.205 50 20 JBGD Cc1nccn1[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1840491668 ZEGYQVDGMRYKPR-KSFYIVLOSA-N 456.308 -0.797 50 20 JBGD O=C(CN1CCN(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)CC1)NCc1ccccc1 22423019 CBJPMBFFFSTBRP-UHFFFAOYSA-N 463.502 -0.049 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1779032788 YLIOBBLCAWQLGL-NWKSEYAWSA-N 460.491 -0.342 50 20 JBGD C[C@@H](Br)C(=O)N1CC[C@]2(CN(C(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)CCO2)C1 1783528757 AFPXBGJLAQCPNN-BLVKFPJESA-N 497.350 -0.953 50 20 JBGD O=C(NCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1)c1ccccc1 1786981974 JAKGRGOLEWJHCD-BVSLBCMMSA-N 479.342 -0.220 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](N)Cc3cccnc3)[C@H]2C1 1787473414 RANYXZMVKFMZMF-KNTRFNDTSA-N 467.530 -0.757 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3c(O)cc(O)cc3O)[C@H]2C1 1790158285 LVZOPQGKOLLIJF-JDFRZJQESA-N 450.492 -0.230 50 20 JBGD Cc1onc(-c2ccncn2)c1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795735242 RMXMMSAYMLKIAB-CWPLJXCYSA-N 477.286 -0.363 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(O)c([N+](=O)[O-])c1)C2)c1ccc(B(O)O)cc1 1795736278 VKHQZKUFTCLAHB-CCWDJLKJSA-N 455.232 -0.503 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1cc(-c2cccnc2)[nH]n1 1798157923 UEQWPCMORJMXTA-UPHUGPLXSA-N 461.287 -0.332 50 20 JBGD CC[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1)N(CC)CC 1831674604 JJAQYESHWUMSSF-PGRDOPGGSA-N 455.600 -0.064 50 20 JBGD CC(C)N1CCC(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)CC1 1832412830 UJESYBFXWXQHBT-DEOSSOPVSA-N 473.379 -0.443 50 20 JBGD CC(C)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(=O)n4[nH]cnc4n3)CCO2)C1 1835918723 MYNZFUOILGDHLL-LJQANCHMSA-N 452.899 -0.247 50 20 JBGD CCOc1cccc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)c1O 1835939059 CSUXDAYYSKTBEV-XMMPIXPASA-N 484.314 -0.146 50 20 JBGD O=C(CCCn1ccnc1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835940020 SZWADCKDEQFWLZ-JOCHJYFZSA-N 456.308 -0.887 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)c1cnc3snnc3c1)CCO2 1838509884 LLOXFGWFFKARGO-OAQYLSRUSA-N 483.315 -0.850 50 20 JBGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(N3CCN(C)CC3)CC1)CCO2 1839108803 RHDLQCRLJXZIKV-FXAWDEMLSA-N 458.987 -0.523 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CC(c3ccccc3)=NN1)CCO2 1839634863 BUTVPJFUZNBJFD-WIOPSUGQSA-N 492.341 -0.797 50 20 JBGD C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1)N1CSCSC1 1840185944 WWXLCTNNIZFGNB-UZLBHIALSA-N 489.664 -0.141 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CCCC12CN(C(=O)CN1C(=O)CNC1=O)C2 1841923981 KRGRACFXZALXAP-LBPRGKRZSA-N 457.915 -0.126 50 20 JBGD C[C@H](O)C(=O)N1CC2(CCCN2C(=O)[C@H](Cc2ccc(B(O)O)cc2)NC(=O)OC(C)(C)C)C1 1843428558 AEQPDGNKINYGMM-YJBOKZPZSA-N 475.351 -0.614 50 20 JBGD NS(=O)(=O)c1ccc(SCC(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1 728339372 MAOZVBANHUTTCU-INIZCTEOSA-N 481.508 -0.043 50 20 JBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)NCCc2ccc(S(N)(=O)=O)cc2)c1 915884083 RNHMOKTWQUMAMX-UHFFFAOYSA-N 469.545 -0.229 50 20 JBGD C[C@H](NC(=O)c1ccccn1)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779037314 VOSGNYSUKVOWSO-NPMXOYFQSA-N 481.513 -0.658 50 20 JBGD Cc1ccc(=O)n(C(C)(C)C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cccc(B(O)O)c2)C3)n1 1779506744 OMUYQTXSVRUSCR-CJFMBICVSA-N 496.373 -0.206 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cccc3c1NC(=O)C3=O)CCO2 1783935024 NGECLYSUPAFFBL-JOCHJYFZSA-N 457.487 -0.362 50 20 JBGD Cn1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)c(C(F)F)n1 1786982968 IVXDUBZYAQTOMC-QRTARXTBSA-N 462.262 -0.055 50 20 JBGD C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21)[C@@H]1SC(=N)NC1=O 1787496551 YJMBQIYBELMUNI-FQDAJMMCSA-N 489.558 -0.919 50 20 JBGD O=C1CN(c2cccc(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)c3ccc(B(O)O)cc3)n2)CCCN1 1796188241 FQMCSYRGBBOSFN-ACDBMABISA-N 491.357 -0.347 50 20 JBGD Cn1ccc2c(O)ncc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)c3ccc(B(O)O)cc3)C4)c21 1798428395 DWEZVNJMZWBHDM-CCWDJLKJSA-N 464.287 -0.524 50 20 JBGD O=C(NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807375936 WMYSFFRQNRKVKR-JXFKEZNVSA-N 498.395 -0.059 50 20 JBGD NC(=O)c1nccnc1C(=O)N1CCC2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)CC1 1809978148 ZDAMOVSDEIITES-UHFFFAOYSA-N 451.292 -0.586 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@H]1CCN(C(=O)CN2CCOC2=O)[C@H]1c1cccnc1 1810294994 PEGLKMOLPRBKRL-BEFAXECRSA-N 467.486 -0.148 50 20 JBGD NNC(=O)c1ccncc1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CCN1C(=O)C=CC1=O)CC2 1819794070 XXMXHCBFEURHKN-NSHDSACASA-N 483.510 -0.318 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827055393 YBJPJIYMNPHXQI-QFIPXVFZSA-N 464.136 -0.407 50 20 JBGD COc1cncc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)c1 1832915244 QFQZXKUBODPDAP-XMMPIXPASA-N 498.540 -0.209 50 20 JBGD CCS(=O)(=O)N[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCBr)CCO2)C1 1834818735 DCQWHUQSJSSACK-BBRMVZONSA-N 470.386 -0.444 50 20 JBGD CS(=O)(=O)N1CCC(C(=O)NC2CCN(C3CCN(C(=O)[C@@H](O)CCl)CC3)CC2)CC1 1835441056 XGAKYHXIMFMOKQ-SFHVURJKSA-N 479.043 -0.171 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)c3[nH]nc4ccncc34)C2)C1 1835935549 KUCUWFJWBIROMS-JOCHJYFZSA-N 465.275 -0.979 50 20 JBGD CN(CC(=O)NC1CCN(C2CCN(C(=O)CO[Si](C)(C)C)CC2)CC1)C(=O)C(=O)O 1836512886 OIZUEJAZYLHRMN-UHFFFAOYSA-N 456.616 -0.048 50 20 JBGD Cc1ncc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)cn1 1837457213 YAMYCQOASBKAAA-NRFANRHFSA-N 455.475 -0.833 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccnc3c1OCO3)CCO2 1838479865 JJJPOIQGGJMHAH-OAQYLSRUSA-N 463.491 -0.747 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc3cccnn3c1)CCO2 1839560360 LTCRKADDSMAIIV-HSZRJFAPSA-N 464.287 -0.602 50 20 JBGD CCn1nc(C)cc1C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840183790 ALRUJOZABKUCLX-NRFANRHFSA-N 450.540 -0.346 50 20 JBGD CS(=O)(=O)Cc1ncccc1C(=O)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843010675 QKMMXAUVGGTYCZ-UHFFFAOYSA-N 457.317 -0.563 50 20 JBGD CCn1cnc2c1c(=O)n(CC(=O)NNC(=O)c1ccn(C)n1)c(=O)n2Cc1ccccc1 727369572 SIIPJHLNZHKVKI-UHFFFAOYSA-N 450.459 -0.377 50 20 JBGD CCn1nc(C(=O)NNC(=O)NCCS(=O)(=O)N2CCOCC2)c2ccccc2c1=O 748111203 JIXJMPHPMYMXBU-UHFFFAOYSA-N 452.493 -0.978 50 20 JBGD COCCN1C(=O)c2ccc(C(=O)NNC(=O)CNC(=O)c3ccco3)cc2S1(=O)=O 751203854 STGGDJJIWAWTCO-UHFFFAOYSA-N 450.429 -0.739 50 20 JBGD NS(=O)(=O)c1ccc(F)c(C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c1 825151124 WUOVSMGQOUHNHV-HNNXBMFYSA-N 453.404 -0.383 50 20 JBGD C[C@@H]1CN(CCC(=O)NNC(=O)CNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)C[C@@H](C)O1 916557671 MRCRJXVSGOZNRL-HUUCEWRRSA-N 469.564 -0.687 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779030681 TXSAWHYCDVKVBW-KSFYIVLOSA-N 492.533 -0.986 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1c[nH]c(=O)cn1)C2 1779372595 MHYVMWKJDVCGCU-IIBYNOLFSA-N 455.475 -0.790 50 20 JBGD CN(CC(=O)N1CC[C@]2(C1)CN(C(=O)c1c[nH]c(=O)cn1)CCO2)NC(=O)NCc1ccccc1 1780969011 RZEWTZFIRRVWIQ-QHCPKHFHSA-N 483.529 -0.440 50 20 JBGD CC(=O)N/C(=C\c1ccco1)C(=O)N1CC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1781866161 ABFRZWFUZWTAMG-CHMLTUNVSA-N 461.519 -0.041 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc(O)n4c3CCCC4)C[C@@H]21)c1ccc(B(O)O)cc1 1786981088 QOBHQJCXIVVSPY-IEZWGBDMSA-N 468.319 -0.488 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3=NNC(=O)C3)[C@H]2C1 1788552511 MHBGCRWRVPREFT-JURCDPSOSA-N 471.942 -0.026 50 20 JBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1)c1nc2c(=O)[nH]c3ccccc3n2n1 1796191375 FACVCBDSLAEBHE-BJWYYQGGSA-N 486.297 -0.184 50 20 JBGD Cc1c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)ccc2c1OCCO2 1796249130 ICEAHHHOCUQLNT-UPHUGPLXSA-N 466.299 -0.037 50 20 JBGD CN(CC(=O)NC[C@H]1CCN(C(=O)C(O)O)[C@H]1c1cccnc1)NC(=O)NCc1ccccc1 1807455134 XDOJHUXVPJKGSA-QUCCMNQESA-N 470.530 -0.256 50 20 JBGD CNC(=S)NCCC(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1810305158 ARAVXVYULDWLPI-XLIONFOSSA-N 469.376 -0.435 50 20 JBGD O=C(CSc1nc[nH]n1)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1813343865 BEFFVDCPPDMFAG-LPHOPBHVSA-N 466.332 -0.009 50 20 JBGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1cc(=O)n3[nH]cnc3n1)CC2)c1ccc(B(O)O)cc1 1815339377 BTXXPUGGLDSLBG-GFCCVEGCSA-N 479.287 -0.907 50 20 JBGD CN1C(=O)CC[C@H]1C(=O)N[C@H]1CCc2nc(NC(=O)c3cnccc3C(=O)NN)sc2C1 1819800537 PSLSRONFGVKBNE-HZMBPMFUSA-N 457.516 -0.012 50 20 JBGD CC(=O)OC[C@H](OC(C)=O)C(=O)N[C@@H]1CCc2nc(NC(=O)CCC(=O)NN(C)C)sc2C1 1826088022 NSRKCPMPNWRNFJ-HIFRSBDPSA-N 483.547 -0.077 50 20 JBGD CN1N=C(C(=O)NC2CCN(C3CCN(C(=O)c4cnccc4C(=O)NN)CC3)CC2)CCC1=O 1833689292 JLSJAZOTQKSJSV-UHFFFAOYSA-N 484.561 -0.522 50 20 JBGD CC(=O)NCCC(=O)N1CCC(N2CCC(NC(=O)c3cnccc3C(=O)NN)CC2)CC1 1835738050 AFDXSXHDTQQWEL-UHFFFAOYSA-N 459.551 -0.604 50 20 JBGD O=C(c1ccc(Cl)nc1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835926650 WJFLINKYOBNCDR-NRFANRHFSA-N 459.695 -0.201 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)CN(CCO)CCO)CC2)CC1)[C@H](F)Br 1836413519 GEPANXIRQVURBZ-KRWDZBQOSA-N 467.380 -0.465 50 20 JBGD O=C([C@H](O)CCl)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CN(Cc3ccccc3)CCO1)CCO2 1836684755 JULBGBUCYDCSQC-ZRCGQRJVSA-N 481.977 -0.057 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(=O)cco3)C2)C1 1837457253 ZMDWUGZASVOCQM-NRFANRHFSA-N 457.443 -0.978 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc4ccccn4n3)C2)C1 1837457525 IDZZHQOUPCRHCE-QFIPXVFZSA-N 480.485 -0.888 50 20 JBGD CS(=O)(=O)CCC(=O)N1CCC(OC2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1837921063 WSYKWOGMGPYDDL-UHFFFAOYSA-N 466.365 -0.587 50 20 JBGD Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)c(C)n1C 1838381985 QCDMPMHMMCITSV-HSZRJFAPSA-N 455.320 -0.294 50 20 JBGD C[C@](Cl)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCS(=O)(=O)CC3)C2)C1 1839150683 UNZPLDKKQPZSIG-ZWKOTPCHSA-N 486.418 -0.591 50 20 JBGD CCn1nc(C(=O)N2CCOC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)cc1C 1840185482 NFRQZVHJZNCSGI-NRFANRHFSA-N 450.540 -0.346 50 20 JBGD CCOC(CC(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1)OCC 1840282322 LDFBYRLJJLRZHJ-NRFANRHFSA-N 458.556 -0.395 50 20 JBGD CN1C(=C(C#N)C(=O)COC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)N(C)c2ccccc21 11394761 IFPBMZJXSMIBOK-UHFFFAOYSA-N 463.454 -0.133 50 20 JBGD Cc1ccn2c(=O)c(C(=O)N3CCO[C@@]4(CCN(C(=O)c5cnccc5C(=O)NN)C4)C3)cnc2c1 1779032357 NZQLWMSFOPQFHL-XMMPIXPASA-N 491.508 -0.241 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3O)C2)C1 1781116067 ZUHQLVDYVKPYNG-YGKZAACZSA-N 497.593 -0.583 50 20 JBGD N#C/C(=C\c1ccc(F)cc1F)C(=O)N1CCO[C@@]2(CCN(C(=O)CN(CCO)CCO)C2)C1 1783261290 CAHQBOKTNDJPHO-JBSURENYSA-N 478.496 -0.012 50 20 JBGD COc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)c([N+](=O)[O-])cc1O 1786984893 VXXIWWWITGRBQT-LFRPXUGBSA-N 499.285 -0.104 50 20 JBGD C[S@](=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2 1792794277 SVVOJJCOUQXQCM-XCDSRHENSA-N 496.026 -0.162 50 20 JBGD CC(=O)Nc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)cc1 1795740604 CNVXFAKNIXRXKS-RMFSNUHRSA-N 451.288 -0.158 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1ccc(CCN2CCCC2)nc1 1796504196 RVANTZCZHCRSNO-RUMRUAAYSA-N 492.385 -0.083 50 20 JBGD C[C@](O)(CC(=O)O)CC(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807368622 WGUVGATYVFPROG-FRGLQRNOSA-N 469.303 -0.303 50 20 JBGD CN1C(=O)CC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1808758923 UQMLDMTWADJRLR-CUWPLCDZSA-N 450.304 -0.298 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)CN2CCS(=O)(=O)CC2)[C@H]1c1cccnc1 1813070774 LWGJRGDJWNHNEU-AVRDEDQJSA-N 494.618 -0.809 50 20 JBGD CN(C)NC(=O)CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)CN(CCO)CCO)[nH]n1 1822416764 NYHZOBSFHWKROZ-INIZCTEOSA-N 453.544 -0.939 50 20 JBGD O=C(C[C@@H]1COc2ccccc2O1)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1831228802 LGDFJOOYLFYEDD-CJFMBICVSA-N 496.325 -0.334 50 20 JBGD CS(=O)(=O)c1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)nc1 1833597080 QLUWNWSZJOBEQQ-CRAIPNDOSA-N 461.924 -0.845 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC1CCN(C2CCN(C(=O)Cc3cnccn3)CC2)CC1 1835734345 BOMPPPCIITYCIK-UHFFFAOYSA-N 466.546 -0.097 50 20 JBGD CN(CC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cn1cccn1)CCO2)NC(=O)NCc1ccccc1 1836172306 MLNLYOCAPAMNOM-DEOSSOPVSA-N 499.572 -0.314 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnn3c1OCCC3)CCO2 1839519002 PUXUDHMVXBNEND-NRFANRHFSA-N 464.523 -0.891 50 20 JBGD O=C(Cc1ccccc1O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1839907775 RMCKKUZIGPMMFK-QHCPKHFHSA-N 454.288 -0.615 50 20 JBGD CS(=O)(=O)Cc1ccc(C(=O)N2CC3(CCCN3C(=O)c3cnccc3C(=O)NN)C2)cn1 1844264230 WKQOTIVSLFCIGS-UHFFFAOYSA-N 472.527 -0.245 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)/C=C/C(=O)NCc2ccco2)C1 1844344256 WVSRNIPJMPRNBM-SNAWJCMRSA-N 452.471 -0.032 50 20 JBGD COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)c1ccc(B(O)O)cc1)C2 1846212251 QSZHEAUIYJAILF-KRWDZBQOSA-N 489.334 -0.360 50 20 JBGD CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NNC(=O)COc1ccccc1O 730780285 STVKXHOWXKNTHH-OAHLLOKOSA-N 485.540 -0.300 50 20 JBGD CC(C)Cn1cnc2c1c(=O)n(CC(=O)NNC(=O)c1cnn[nH]1)c(=O)n2Cc1ccccc1 918300227 FUYCPQDGLBMYES-UHFFFAOYSA-N 465.474 -0.357 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(C1)CN(C(=O)c1cccc3c1NC(=O)C3=O)CCO2 1779031979 IIOMXNPWQHPTIM-QHCPKHFHSA-N 478.465 -0.423 50 20 JBGD NC[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1ccccc1 1786922709 ZLYATUAMCHABHE-QESAQDPVSA-N 451.332 -0.298 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc4c(c3)NC(=O)CO4)[C@H]2C1 1788364161 WPVBMSAPHMSKQQ-BXWFABGCSA-N 473.530 -0.016 50 20 JBGD C[C@H](NC(=O)c1ccccn1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1 1791294021 YZONMFXGSOQUMX-DWRORGKVSA-N 474.562 -0.447 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CCc4nc[nH]c4C3)[C@H]2C1 1791529051 SECDPRIGOXGFGQ-BAGFXWCHSA-N 467.530 -0.193 50 20 JBGD C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN(C)NC(=O)NCc3ccccc3)C[C@@H]21)n1cnnn1 1791687463 LXTPFNMSPREYKC-GTAWCEEGSA-N 499.576 -0.440 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(OC3CCOCC3)n1)C2)c1cccc(B(O)O)c1 1795740361 XKGWVPDGIBEMHO-FEJSZKPUSA-N 495.341 -0.164 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1n[nH]c2c1CCc1ncccc1-2 1798476434 IBHPNUWIRVVGGN-VPTLXERWSA-N 487.325 -0.233 50 20 JBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CC(c3ccccc3)=NN1)C2 1801013096 VLTCVKJGWZUJFH-YZIUBNRHSA-N 456.547 -0.285 50 20 JBGD C[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN(C)NC(=O)NCc1ccccc1)C2)n1cnnn1 1801438110 UDNCFMQULLNODT-BOLBYERCSA-N 485.549 -0.830 50 20 JBGD O=C(O)c1cnncc1C(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1810795983 BXEYQUNXCDCVAQ-OXJNMPFZSA-N 475.270 -0.117 50 20 JBGD C[C@H](NC(=O)c1cnccn1)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1820020704 YCONTQKLYSGXIK-SWLSCSKDSA-N 494.342 -0.343 50 20 JBGD O=C([C@H](O)CCl)N1CCO[C@]2(COCCN(C(=O)[C@@H]3ON=C(c4ccccc4)O3)C2)C1 1830731455 LQGNPSDIGAPCPB-UIAACRFSSA-N 453.879 -0.223 50 20 JBGD CCS(=O)(=O)N[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCBr)C2)C1 1831325459 URGGFYBCEFEIOK-BBRMVZONSA-N 470.386 -0.444 50 20 JBGD Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)nc1C 1833690067 SPUBOMDINJEEAR-QHCPKHFHSA-N 453.304 -0.238 50 20 JBGD CN(CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccn(C)n1)CCO2)NC(=O)NCc1ccccc1 1834247496 CZSWGQLVDDUBJZ-DEOSSOPVSA-N 499.572 -0.164 50 20 JBGD CC[S@](=O)CCC(=O)NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1835655717 SATJUIPQZFFWSR-YTTGMZPUSA-N 463.409 -0.290 50 20 JBGD C[C@@H](C(=O)NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1)N1C[C@H]2C[C@H]2C1 1835669733 LYWCVQBETHITAB-YSIASYRMSA-N 468.407 -0.108 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(CN(C(=O)CCNC(C)C)CCO2)C1 1835883014 UGADDYBEFNQIST-ALAMRGAJSA-N 462.551 -0.035 50 20 JBGD Cc1cccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)n1 1835934338 VZVWOUJFQPQVGH-QHCPKHFHSA-N 453.304 -0.617 50 20 JBGD Cc1nccn1CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835940183 YICIRIISVBQAIN-QHCPKHFHSA-N 470.335 -0.578 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1[nH]cnc1C)CCO2 1836554228 SGXWBGZOZJAUKL-JAMLUQCHSA-N 457.491 -0.078 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc4[nH]ccc4n3)CCO2)C1 1836906516 IMZJXNLEGSRPON-QHCPKHFHSA-N 479.497 -0.055 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)c3ccccc3)C2)C1 1837457462 CZHZIFFQPVDDLV-AUSIDOKSSA-N 469.498 -0.511 50 20 JBGD Cc1ccn(C)c1C(=O)N1CCOC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837459898 OEERNOLNBDHSON-QFIPXVFZSA-N 456.503 -0.284 50 20 JBGD O=C(CN1CCCCC1=O)N1CCC(OC2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1837921541 LEDOWFLVJCISDU-UHFFFAOYSA-N 471.363 -0.009 50 20 JBGD CC(C)c1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)n[nH]1 1838701490 BYOZBHCYZXVXMP-OAQYLSRUSA-N 450.540 -0.024 50 20 JBGD CN(CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCOC3)C2)C1)NC(=O)NCc1ccccc1 1839054036 CPTUDGITQFJRIJ-GBXCKJPGSA-N 489.573 -0.175 50 20 JBGD COCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CN(C)NC(=O)NCc1ccccc1)CCO2 1839054098 GVCNOLAGSZVESB-HSZRJFAPSA-N 477.562 -0.175 50 20 JBGD C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1)n1cccn1 1840441948 MCBIXZBAIPVUKP-QVKFZJNVSA-N 457.491 -0.787 50 20 JBGD CN(CC(=O)N1CCCC12CN(C(=O)c1cc(=O)n3[nH]cnc3n1)C2)NC(=O)NCc1ccccc1 1845038810 WDEUZFVHDYZYMM-UHFFFAOYSA-N 493.528 -0.419 50 20 JBGD Cn1c(=O)c2c(ncn2CC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)CCBr)n(C)c1=O 1848151306 BLZNSBHKEVTAEU-RYUDHWBXSA-N 467.324 -0.580 50 20 JBGD CC(C)Cn1cnc2c1c(=O)n(CC(=O)NNC(=O)[C@@H]1CCC(=O)N1)c(=O)n2Cc1ccccc1 901395506 XAKBKLSSIYSENZ-INIZCTEOSA-N 481.513 -0.510 50 20 JBGD COc1cc2c(cc1OC)[C@@H](CC(=O)NNC(=O)CN1CCCNC1=O)N(S(C)(=O)=O)CC2 915259745 UCMBFWKXOASOPM-OAHLLOKOSA-N 483.547 -0.485 50 20 JBGD NS(=O)(=O)c1cc(C(=O)NNC(=O)CN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)ccc1Cl 915787711 PPLWONOVQPUSAQ-WDQYXFPCSA-N 452.876 -0.445 50 20 JBGD CC(=O)NCC(=O)N1CC[C@@]2(C1)CN(C(=O)CN(C)NC(=O)NCc1ccccc1)CCO2 1783142886 WCGVIQGSQFHYMG-JOCHJYFZSA-N 460.535 -0.701 50 20 JBGD COc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)c(O)c1OC 1786981661 DQOMRGSAQWZNTL-QSFXBCCZSA-N 484.314 -0.004 50 20 JBGD C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1792761630 FYCVKANUVGMABK-ZJOBFFGXSA-N 476.534 -0.199 50 20 JBGD C[C@@H](Cn1cncn1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN(C)NC(=O)NCc1ccccc1)C2 1797899859 VLKZJRHVUHVDAR-KMQSCTNJSA-N 498.588 -0.150 50 20 JBGD COC(=O)c1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)c([N+](=O)[O-])c1 1801012425 FNEXFSHZXRMXOU-YVWYUNDQSA-N 491.501 -0.042 50 20 JBGD O=C(O)CSCC(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1813084336 AXPBKTPMXYVUGD-OXJNMPFZSA-N 457.317 -0.101 50 20 JBGD CS(=O)(=O)CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cnccc1C(=O)NN)CC2 1814323905 ZRZFSIOKDDWNPZ-SECBINFHSA-N 452.518 -0.588 50 20 JBGD O=C(Nc1cc([C@H]2CCCCN2C(=O)CCN2C(=O)C=CC2=O)[nH]n1)c1cccc(B(O)O)c1 1817474307 PTRXLMDAHRJRLW-QGZVFWFLSA-N 465.275 -0.290 50 20 JBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1CCc2nc(NC(=O)[C@H]3CCNC(=O)C3)sc2C1 1826222269 NIRDSQKJXYYBRW-WDEREUQCSA-N 457.516 -0.106 50 20 JBGD C[C@H](O)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1829326759 SQQBVZJGOIIUIF-AVRWGWEMSA-N 495.341 -0.187 50 20 JBGD C[C@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCS(=O)(=O)CC3)C2)C1 1830535659 RTFHFRXKHDYSNN-QAPCUYQASA-N 496.424 -0.796 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)c1cnnc(Cl)c1)CCO2 1833206660 DKLQCLXYWCWZEF-FQEVSTJZSA-N 460.683 -0.806 50 20 JBGD CCS(=O)(=O)N[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@H](O)CCl)CC2)CC1 1833306658 VVHYQZAJSCMXMZ-XJKSGUPXSA-N 453.005 -0.515 50 20 JBGD COc1ccccc1OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835926560 RWNJOYPKIMUHHQ-DEOSSOPVSA-N 484.314 -0.476 50 20 JBGD O=C(Cc1cccc(F)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835929381 NFBMQXYHTQABIF-HSZRJFAPSA-N 456.279 -0.182 50 20 JBGD O=C(c1ccc2c(c1)COC2)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835936823 FNPYZNYEJOHWKE-XMMPIXPASA-N 466.299 -0.220 50 20 JBGD C[C@@](Cl)(CCl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835939025 BZIJXNVEUXQCOM-MOPGFXCFSA-N 459.135 -0.327 50 20 JBGD O=C(c1n[nH]c2c1CS(=O)(=O)C2)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1836259126 CKVUZWYHPJENMA-CJNGLKHVSA-N 495.327 -0.401 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1Cc3ccccc3O1)CCO2 1836647495 JBGLMVKJXASIEH-URXFXBBRSA-N 466.299 -0.560 50 20 JBGD Cc1cnc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)s1 1837456253 GILHFPPFRXBZBD-HXUWFJFHSA-N 460.516 -0.166 50 20 JBGD Cc1noc(C)c1C(=O)N1CCOC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837457249 ZGRIAXULVFXRDT-NRFANRHFSA-N 458.475 -0.326 50 20 JBGD CC(C)n1nccc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1838020397 GFLIJQDIRZXSJR-JOCHJYFZSA-N 456.308 -0.472 50 20 JBGD COc1ccccc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1838875798 LTVZXEODKBWWOG-HSZRJFAPSA-N 454.288 -0.241 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2 1839433798 BTEUAUBHVKBZGD-JOCHJYFZSA-N 490.705 -0.185 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc3nn[nH]c3c1)CCO2 1839628360 BCUBTZAPZMRYHA-QFIPXVFZSA-N 465.275 -0.979 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CC[C@@H]4CCC(=O)N4C3)C2)C1 1840184954 GMKXDGNPWHAMHY-PMAPCBKXSA-N 479.578 -0.783 50 20 JBGD C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1)c1ccccn1 1840501831 NHBZSBJSYPPJNW-GAJHUEQPSA-N 453.304 -0.365 50 20 JBGD COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C 728179101 OLHFZRJLLUEAER-CQSZACIVSA-N 461.562 -0.178 50 20 JBGD CCS(=O)(=O)N1CCC[C@H](C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)C1 918549737 NIPGNIMILVYQAR-INIZCTEOSA-N 488.588 -0.470 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)COCCNC(=O)OC(C)(C)C)CCO2 1783935578 VVGMGQIMNSKPDV-QFIPXVFZSA-N 485.582 -0.269 50 20 JBGD CS(=O)(=O)Cc1ncccc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(B(O)O)c1)C2 1794721513 KHRKTVSCWFFOMX-BCDXTJNWSA-N 471.344 -0.128 50 20 JBGD C=C(Oc1ccccc1O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1796433229 OPKHTKHPIJYEEK-UPHUGPLXSA-N 452.272 -0.132 50 20 JBGD C[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)[S@@](=O)c1ccccc1 1800213281 UXAHZLCSMUWNIF-VJSWGVQLSA-N 470.356 -0.234 50 20 JBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc3c(=O)[nH]c4ccccc4n3n1)C2 1801011204 AWZCWECDLYSGNH-HBCWATKFSA-N 496.528 -0.853 50 20 JBGD C[C@H](CS(C)(=O)=O)C(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807364741 JYEBFJIISYQBIF-XFQXTVEOSA-N 473.360 -0.238 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCC([C@@H]2CCCCN2C(=O)c2cc(=O)n3[nH]nnc3n2)CC1 1827399229 WNZMFOUCZASNMT-SFHVURJKSA-N 479.306 -0.961 50 20 JBGD NC[C@H](N)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@H](O)CCl)C2)C1 1829045050 UJISMUVWFRBFKS-CSODHUTKSA-N 467.954 -0.676 50 20 JBGD Cc1noc(C)c1CC(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1832561014 IVMVSPSKIHAIGJ-NRFANRHFSA-N 451.524 -0.337 50 20 JBGD Cc1nn(C)cc1C(=O)NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1833582024 PACXEIPNWCGTHN-UHFFFAOYSA-N 453.352 -0.093 50 20 JBGD C[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc4n(n3)CCNC4=O)CCO2)C1 1834564600 DBOIIIJPJGSBNC-XIKOKIGWSA-N 470.324 -0.520 50 20 JBGD CCOC(=O)/C=C/C(=O)N1CCO[C@@]2(COCCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C2)C1 1834772165 NORMUYMBPIJMNQ-IGXAAJLOSA-N 475.502 -0.304 50 20 JBGD CC(C)CNC(=O)C(=O)N1CCC(N2CCC(NC(=O)c3cnccc3C(=O)NN)CC2)CC1 1835736684 AVLFQIFZSHWSNA-UHFFFAOYSA-N 473.578 -0.358 50 20 JBGD CC(C)N[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1)C(C)C 1835894461 LZDXZMNXARHMJH-OFNKIYASSA-N 461.368 -0.541 50 20 JBGD O=C1Nc2c(cccc2C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)C1=O 1837135438 HPHKKNUPDMWPHX-VLIAUNLRSA-N 451.863 -0.509 50 20 JBGD C[Si](C)(C)c1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)co1 1837421959 DROQBNYPAMTWFD-QHCPKHFHSA-N 486.406 -0.112 50 20 JBGD Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)nn1C(F)F 1838705816 BAKYREMQLBXHGM-OAQYLSRUSA-N 478.261 -0.350 50 20 JBGD Cc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)c1 1839451651 HSQUHJAWQHOKPA-DEOSSOPVSA-N 463.299 -0.070 50 20 JBGD COC(=O)C12CC(C(=O)N3CCO[C@@]4(COCCN(C(=O)CCC(=O)NN(C)C)C4)C3)(C1)C2 1840007031 JLDUVDPBUSDWEH-LZBANZJXSA-N 466.535 -0.841 50 20 JBGD CC(=O)N1CCN(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)Br)CCO3)CC1 1840033345 AXONRRCRUPXKOH-HNAYVOBHSA-N 475.384 -0.610 50 20 JBGD COCCOCCOCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1840075868 GJNGSRWBDKWIIV-QFBILLFUSA-N 452.932 -0.888 50 20 JBGD CSCC[C@H](C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1)N1C(=O)c2ccccc2C1=O 920746371 WCFJKOSYBJBLKH-BXUZGUMPSA-N 454.530 -0.078 50 20 JBGD CN(CC(=O)N1CC[C@]2(C1)CN(C(=O)Cn1ccnn1)CCO2)NC(=O)NCc1ccccc1 1780969658 ILCOIMFFKXKSFS-QFIPXVFZSA-N 470.534 -0.546 50 20 JBGD CC(C)n1nc(C(=O)N2CCO[C@@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)cc1C(=O)O 1783936949 YSUYHGVLXXZNEU-OAQYLSRUSA-N 464.523 -0.021 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@@]2(CCN(C(=O)Cn3cc(C)c(O)nc3=O)C2)C1 1785351361 QFVXEYSJXIBVOP-BHSKHCGUSA-N 485.501 -0.779 50 20 JBGD COc1ccc([C@@H](O)C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)cc1 1786982345 ZFRVMFJKTFSSGK-AGOPTVSRSA-N 468.315 -0.298 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cn4cccnc4n3)[C@H]2C1 1788311205 XIQNTJGZXDKRGC-OWQGQXMQSA-N 464.486 -0.365 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CC(=O)NC1=O)C2 1793878204 DUSOOYZUVXTMBM-ZWUHOBOKSA-N 487.941 -0.740 50 20 JBGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCc2nc(O)nc(O)c2C1 1794111792 WDNWRIJDZGUQGA-YLLRLKMBSA-N 454.911 -0.164 50 20 JBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc(OCF)cn1)C2 1797749467 ARAOTXBFBDYDOR-DPIQGUFMSA-N 459.438 -0.702 50 20 JBGD O=C(NC[C@H]1CCN(C(=O)COc2cccnn2)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807367212 JYSPYFLWTLXCEK-GCJKJVERSA-N 461.287 -0.050 50 20 JBGD O=C(/C=C\C(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)NC1CC1 1807375490 PNWKCRKXQHQULP-AGPJLUPNSA-N 462.315 -0.084 50 20 JBGD C[C@@H](C(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1)N1CCN(C)CC1 1807892359 ILMREQXTVYXJGA-ZEYPLWLESA-N 479.390 -0.283 50 20 JBGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)[C@@H]1CCCS1(=O)=O)CC2)c1ccc(B(O)O)cc1 1815348122 DYXYLUPAOSUWDL-CJNGLKHVSA-N 463.346 -0.374 50 20 JBGD CN1CCN(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1828441699 DAWAUVCWRCKAJN-JOCHJYFZSA-N 456.396 -0.153 50 20 JBGD COc1ccc(OCC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)cc1 1830235435 JQLUPNJLELXEKR-DEOSSOPVSA-N 484.314 -0.476 50 20 JBGD O=C(CCS(=O)(=O)c1ccccc1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830722914 JEQNDTROVWSCCM-XLIONFOSSA-N 474.963 -0.094 50 20 JBGD Cc1nc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)c(C)s1 1833149080 VRVVWUBRJGAILY-QFIPXVFZSA-N 473.360 -0.248 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cn(C)cn1)CCO2 1834442810 HWOHDGBVYHYNLC-SGSZHJQISA-N 457.491 -0.376 50 20 JBGD CN(C)c1cccc(OCC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)c1 1835933954 IDKJZNNYMDIFEN-VWLOTQADSA-N 497.357 -0.419 50 20 JBGD Cn1ncc2c(C(=O)N3CCOC[C@]4(CN(C(=O)c5cccc(B(O)O)c5)CCO4)C3)cccc21 1835936842 GGMFYBRFGMLGTI-DEOSSOPVSA-N 478.314 -0.363 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(F)cn3)CCO2)C1 1836034818 ZFWQWHNMXYLRNA-JOCHJYFZSA-N 472.477 -0.468 50 20 JBGD Cc1cc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)nn1C 1837457001 VJJKVZSNLMOJNO-QFIPXVFZSA-N 471.518 -0.960 50 20 JBGD C[C@H](Nc1ccccn1)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837458771 BECPXGKAFWWMFQ-HJPURHCSSA-N 483.529 -0.349 50 20 JBGD CC(=O)NCCC(=O)N1CCC(OC2CCN(C(=O)c3cnccc3C(=O)NN)CC2)CC1 1838394755 UCKNGDZJKWMOSO-UHFFFAOYSA-N 460.535 -0.177 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(C)[nH]n1)CCO2 1838658159 AJIJIFRTXWBJLS-MNQDVBFDSA-N 457.491 -0.078 50 20 JBGD O=C(CCN1CCOC1=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839200494 IIMKYSXZVGRKLR-XJKSGUPXSA-N 452.277 -0.024 50 20 JBGD COCCOCCOCCOCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1839220413 LZWUYGXMUYJPDK-RXVVDRJESA-N 496.985 -0.871 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3ncc[nH]3)CCO2)C1 1840324907 SEOCYFCGYHDKJZ-XDEFOSFOSA-N 471.518 -0.067 50 20 JBGD Cc1ncc(/C=C/C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)s1 1840518270 FRGOBKPWSWHPDZ-BDNZGDGKSA-N 471.344 -0.085 50 20 JBGD Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12 16231271 JUSLFXLQRMPVAR-UHFFFAOYSA-N 474.499 -0.632 50 20 JBGD C#CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)NNC(=O)Cc2nc(C)cs2)c1 753658083 LKSBBOXFAUKQQD-UHFFFAOYSA-N 450.498 -0.090 50 20 JBGD COc1ccc(C(=O)NCC(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1OC 788093125 JNSSADIKTZWUOK-GOSISDBHSA-N 473.438 -0.036 50 20 JBGD CCOC(=O)c1c[nH]nc1S(=O)(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 818785940 LBCBOAVFICGVPH-UHFFFAOYSA-N 471.517 -0.006 50 20 JBGD O=C(COC(=O)CN1C(=O)c2ccccc2S1(=O)=O)NNC(=O)[C@@H]1COc2ccccc2O1 921178263 RVLZISBZUWHNHY-HNNXBMFYSA-N 475.435 -0.638 50 20 JBGD Cn1cc(C(=O)N2CC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)c(C(F)(F)F)n1 1779542332 KKZWRHZYJFEQAE-LJQANCHMSA-N 466.225 -0.124 50 20 JBGD N[C@@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1)c1cccnc1 1786984347 HQTDSIOQPLCAGB-VMXMFDLUSA-N 452.320 -0.555 50 20 JBGD O=C(CN1CCS(=O)(=O)CC1)NC1(c2ccc(NC(=O)c3cccc(B(O)O)c3)cc2)CCC1 1788145207 SDDGNIWMHKLANC-UHFFFAOYSA-N 485.371 -0.156 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(N4CCOCC4)n3)C[C@@H]21 1791291189 OAXCQDHBIZPXDC-BJLQDIEVSA-N 488.589 -0.116 50 20 JBGD COc1ccccc1C(=O)N1CC(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](O)CCl)C1 1792975564 VGKVTMDOOOMOAI-HIRMHNASSA-N 465.934 -0.044 50 20 JBGD CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](O)CCl)C1 1792981122 FLZCWQGNZYKTTD-IAFLNBNSSA-N 475.970 -0.206 50 20 JBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@H](N)c1cccnc1)C2 1797750481 HGCGOYRQVISZDB-ZDUSMZPESA-N 453.503 -0.627 50 20 JBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1[C@@H](O)CCN1Cc1ccccc1 1800298928 WSUOOGRYBUKUCQ-MLNGRUJYSA-N 487.601 -0.416 50 20 JBGD CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C(C)=N/NC(=O)c1ccc[nH]1)C2 1801285401 TXBGHBZTTJEIQU-VZBPNTPVSA-N 498.544 -0.820 50 20 JBGD COC[C@H](NC(C)=O)C(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807361224 PKCSSNSSTYVTFD-SESVDKBCSA-N 468.319 -0.768 50 20 JBGD O=C(NC[C@@H]1CCN(C(=O)Cn2ccncc2=O)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807365443 KBYTVYNWIMKSCU-AVRDEDQJSA-N 461.287 -0.662 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)CN2C(=O)CNC2=O)[C@@H]1c1cccnc1 1813067857 GYNGNJXDPSJLJT-FOIQADDNSA-N 459.507 -0.988 50 20 JBGD O=C(Nc1cc([C@H]2CCCCN2C(=O)CCN2C(=O)C=CC2=O)[nH]n1)c1ccc(B(O)O)cc1 1817470479 SCIQFHCKYJGWMB-QGZVFWFLSA-N 465.275 -0.290 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(Cl)nc1)CCO2 1829505569 FMTDVPOLXSHRDL-OAQYLSRUSA-N 459.695 -0.201 50 20 JBGD CC(C)(C)OC(=O)N1CC(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)C1 1830730435 ACWNDJMTLQPDIN-YWZLYKJASA-N 461.943 -0.091 50 20 JBGD Cc1nn2cc(CC(=O)N3CCO[C@]4(COCCN(C(=O)c5ccc(B(O)O)cc5)C4)C3)nc2s1 1832104785 XJJMNDBZNMFTRZ-JOCHJYFZSA-N 499.358 -0.908 50 20 JBGD Cc1ccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)cn1 1832901408 CBAGBQOAAMMJCJ-DEOSSOPVSA-N 467.331 -0.227 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCC(N2CCC(NC(=O)c3ncccn3)CC2)CC1 1834231508 MBRHTQSTNURMJE-UHFFFAOYSA-N 452.519 -0.026 50 20 JBGD C[C@H](C(=O)N1CCC(N2CCC(NC(=O)c3cccc(B(O)O)c3)CC2)CC1)N1C[C@H]2C[C@H]2C1 1834801007 GEXKHHRNUTYLNI-RLLQIKCJSA-N 468.407 -0.108 50 20 JBGD O=C(CCOc1ccccc1)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1834830807 UOABWTIRIKHTQR-DEOSSOPVSA-N 468.315 -0.095 50 20 JBGD O=C(CS[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835930205 BWPGWEDJJPFZQI-IFMALSPDSA-N 478.376 -0.304 50 20 JBGD O=C(Cc1ccc(F)cn1)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1836032404 MXZKUIYBCAPJRT-QFIPXVFZSA-N 457.267 -0.787 50 20 JBGD CN1CCN(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](F)Br)C3)C2)CC1 1836675918 MZBITMSUDCIGLY-RDJZCZTQSA-N 451.337 -0.619 50 20 JBGD CCc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)no1 1837459591 SLJZYNDOVIKUHV-OAQYLSRUSA-N 458.475 -0.381 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCC(OC2CCN(C(=O)CNCP(=O)(O)O)CC2)CC1 1837836330 XPLRBQIYUVJPDL-UHFFFAOYSA-N 477.499 -0.917 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(O)no1)CCO2 1838105258 GKMXVWMCDPAZLN-BOURKTIISA-N 460.447 -0.416 50 20 JBGD CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1839387735 SEVZAKLQZDYHTA-XWCIJXRUSA-N 484.319 -0.024 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc3ccnn13)CCO2 1839497775 HYJHIHIOJGSGOW-HSZRJFAPSA-N 464.287 -0.602 50 20 JBGD CN1CCCn2nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)[C@H](O)CCl)C4)C3)cc2C1 1839620634 NDDYQPPKMGWCCB-XLIONFOSSA-N 455.943 -0.612 50 20 JBGD COC(=O)CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1840235726 KMRMRNYULNWOMA-HSZRJFAPSA-N 476.335 -0.440 50 20 JBGD N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1840819919 ODDKNTQHCCKMTR-DEOSSOPVSA-N 494.508 -0.294 50 20 JBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)c1 14841577 NPQULYISRAEHLB-UHFFFAOYSA-N 485.522 -0.230 50 20 JBGD O=C(Cn1cnnn1)NNC(=O)c1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)cc1 726229423 FNHSFUYCSZNZRV-UHFFFAOYSA-N 484.542 -0.359 50 20 JBGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccc(Cl)c(S(=O)(=O)NC[C@H]2CCCO2)c1 818853373 JNQCDBJEMUFBJZ-CHWSQXEVSA-N 479.964 -0.007 50 20 JBGD COc1cc2c(cc1OC)[C@H](CC(=O)NNC(=S)NCC(=O)N(C)C)N(S(C)(=O)=O)CC2 918717188 NEFHDBFLANUOFA-AWEZNQCLSA-N 487.604 -0.464 50 20 JBGD COc1ccc(S(=O)(=O)N(C)CCCC(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)cc1 919889732 SCDGJQRVAMUALU-ZDUSSCGKSA-N 462.550 -0.387 50 20 JBGD CC(C)n1cnc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cccc(B(O)O)c2)C3)n1 1778283008 PRZVXVFEUKHWMN-XMSQKQJNSA-N 455.324 -0.020 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1CCc3nc[nH]c3C1)CCO2 1779034145 OIDHYOKZRURLSY-JLCFBVMHSA-N 453.503 -0.343 50 20 JBGD CN(CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2)NC(=O)NCc1ccccc1 1780969420 LSZHTTZMZAUYCV-DYESRHJHSA-N 467.954 -0.238 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](O)NC(=O)OC(C)(C)C)C1 1781050084 WJSFNMCJMZILLE-YIFZBPKDSA-N 485.582 -0.284 50 20 JBGD C[C@H](NC=O)C(=O)N1CC[C@@]2(CN(C(=O)CN(C)NC(=O)NCc3ccccc3)CCO2)C1 1781247093 FPCNRSCKWAOWMB-HTAPYJJXSA-N 460.535 -0.703 50 20 JBGD COCCOCCOCCOCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]2C1 1784092538 JXDFDCVUAOFMDE-OKYOBFRVSA-N 480.986 -0.348 50 20 JBGD CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CC[C@]2(CN(C(=O)[C@@H](F)Br)CCO2)C1 1784373560 PTZYJRZSAQJCFU-CKEIUWERSA-N 460.304 -0.023 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)ncn3)[C@H]2C1 1784665084 STHONDNWQDWLPV-XEDDXIFXSA-N 455.475 -0.091 50 20 JBGD Cc1cc(C)n2ncc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)c5cccc(B(O)O)c5)[C@H]4C3)c2n1 1786983627 YPIPKQDRGSKNSD-YYWHXJBOSA-N 477.330 -0.067 50 20 JBGD COCCn1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cnccc4C(=O)NN)C[C@@H]32)n1 1787637050 VSJCVUZDNYFMOQ-FNHZYXHNSA-N 471.518 -0.565 50 20 JBGD Cn1c(=O)n(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](O)CCl)C[C@@H]32)c2ccccc21 1788138541 AXFVANZITSHSPQ-USJZOSNVSA-N 450.923 -0.081 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1snnc1C1CC1 1796705936 UMUVAUGUWIEEHP-JJLQDPRZSA-N 457.516 -0.069 50 20 JBGD Cc1cn2c(=O)c(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)c3cnccc3C(=O)NN)C4)cnc2s1 1797064667 SNTNIEOYZXOCAO-FVCICTRLSA-N 497.537 -0.420 50 20 JBGD CCS(=O)(=O)N[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnccc1C(=O)NN 1798439698 YSVRMTDVOIHRLR-YIYPIFLZSA-N 452.537 -0.735 50 20 JBGD CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1799795995 RTFXYOZGOWFAQS-VPTLXERWSA-N 482.302 -0.142 50 20 JBGD O=C(NC[C@@H]1CCN(C(=O)c2cc3n(n2)CCNC3=O)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807370348 AVPLEXKSKVDPAA-UWJYYQICSA-N 488.313 -0.665 50 20 JBGD C[C@H](C(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1)[C@H]1SC(=N)NC1=O 1808397087 ZBBWPXJSYWPYNO-PTKHLAPESA-N 495.370 -0.117 50 20 JBGD CCNC(=O)N[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1810236972 DZNFWFHFIQDYRE-MOXGXCLJSA-N 467.335 -0.211 50 20 JBGD NNC(=O)c1ccncc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)C=CC2=O)[nH]n1 1819404715 VZKREBFIPUPIBQ-HNNXBMFYSA-N 466.458 -0.361 50 20 JBGD COC[C@H](NC(C)=O)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1819607361 GAQLNBWDAABRKG-ROUUACIJSA-N 457.296 -0.454 50 20 JBGD Cc1cn(CC(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cnccc3C(=O)NN)[nH]n2)c(=O)nc1O 1823367411 PITGZQSHMLDQAN-MRXNPFEDSA-N 495.500 -0.015 50 20 JBGD C[C@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCN(C)CC3)C2)C1 1830539906 KKJFSBJKTKGJRC-APWZRJJASA-N 461.401 -0.279 50 20 JBGD CC(C)n1nc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)cc1C(=O)O 1830726428 YOPKKWDHJHLXBD-KXBFYZLASA-N 458.899 -0.168 50 20 JBGD CN[C@H](CC(=O)N1CCC(N2CCC(NC(=O)/C(C)=N/NC(=O)c3ccc[nH]3)CC2)CC1)C(=O)O 1835118139 AEWPAFLEYRWMRS-PYNCTGKJSA-N 489.577 -0.245 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CNc4ccccc43)C2)C1 1835928766 YHTBFEDZDIDADR-RDPSFJRHSA-N 465.315 -0.354 50 20 JBGD COc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)cc(Cl)n1 1835938091 KGUUCBDABDWHQC-JOCHJYFZSA-N 489.721 -0.193 50 20 JBGD C[C@@H](Nc1ccccn1)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835938226 RDOFLDKVRMCVEO-HXOBKFHXSA-N 468.319 -0.668 50 20 JBGD Cc1ccc(OC(C)(C)C(=O)N2CCOC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)nc1 1835939324 MHFLFJALOJSGCC-RUZDIDTESA-N 497.357 -0.003 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCC(N2CCC(NC(=O)c3nccnc3C(N)=O)CC2)CC1 1836051581 OWMKUBAGPXBCDF-UHFFFAOYSA-N 474.566 -0.866 50 20 JBGD CC(=O)N1CCN(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)CBr)C3)C2)CC1 1836764638 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O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2)c1ccc2c(n1)OCCO2 1777952769 MULAYXROOKCQHB-HYBUGGRVSA-N 481.314 -0.026 50 20 JBGD COCCn1nccc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2 1778232408 SJKLGFSWRIOJER-NFBKMPQASA-N 470.335 -0.349 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)c3ccc4ncnn4c3)CCO2)C1 1779032482 QVOXGOPFUNENIE-NRFANRHFSA-N 450.459 -0.515 50 20 JBGD CC[C@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCS(=O)(=O)CC3)[C@H]2C1 1785037004 WSAXMXHWSQHQGL-VGWMRTNUSA-N 480.425 -0.130 50 20 JBGD CS(=O)(=O)c1cncc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)c1 1785585683 HFFDEMDLZFGIPK-YSSFQJQWSA-N 487.343 -0.928 50 20 JBGD COc1ccccc1OCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1792720436 UJCCZSRWOZZNEY-FAQVEIGNSA-N 454.288 -0.343 50 20 JBGD Cn1c(=O)c2c(ncn2CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CO[Si](C)(C)C)C3)n(C)c1=O 1794252749 LKFMDGUPHPAUNB-QDMKHBRRSA-N 476.610 -0.077 50 20 JBGD COc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)cc([N+](=O)[O-])c1OC 1795740745 KUOZYTXPHRAHAB-CWPLJXCYSA-N 499.285 -0.191 50 20 JBGD CCNC(=S)NCC(=O)NC[C@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1812331921 XGJUOKJCXURURU-BEFAXECRSA-N 484.586 -0.116 50 20 JBGD C[C@H](CS(C)(=O)=O)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815350391 UPFCPEOHBXWNLI-BXUZGUMPSA-N 465.362 -0.271 50 20 JBGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)C=CC2=O)[nH]n1)c1ccc(B(O)O)cc1 1817474932 JJYVHGSLQPGLNG-INIZCTEOSA-N 451.248 -0.680 50 20 JBGD COC[C@@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)[C@@H](N)CN)CCN2C(=O)OCc2ccccc2)C1 1829049669 ISKTYIOISOFIDK-KGVIQGDOSA-N 481.981 -0.022 50 20 JBGD Cn1c(=O)n(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)c2ccccc21 1830730634 CKZKGHZBIMHQME-LAUBAEHRSA-N 466.922 -0.604 50 20 JBGD Cc1c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)cn2[nH]cnc(=O)c12 1830730643 BSCCVIWXFAUQJJ-LIRRHRJNSA-N 453.883 -0.999 50 20 JBGD Cc1nn2cc(CC(=O)N3CCO[C@@]4(COCCN(C(=O)c5ccc(B(O)O)cc5)C4)C3)nc2s1 1832104787 XJJMNDBZNMFTRZ-QFIPXVFZSA-N 499.358 -0.908 50 20 JBGD COc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)n1 1833763594 OAZFQZHOCXQWGK-QFIPXVFZSA-N 455.276 -0.846 50 20 JBGD C[C@@H](Br)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](O)N3CCOCC3)CC2)CC1 1835763293 ANPSROPHHFFPPC-AUUYWEPGSA-N 461.401 -0.008 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)c3cn4ccsc4n3)C2)C1 1835930564 NGVKNXPHKVFBDH-NRFANRHFSA-N 470.316 -0.541 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)c3cc(=O)c4ccccc4o3)C2)C1 1835934091 MZZNWDXOKNYOHB-RUZDIDTESA-N 492.293 -0.143 50 20 JBGD Nc1nc2cc(C(=O)N3CCOC[C@]4(C3)CN(C(=O)c3cccc(B(O)O)c3)CCO4)ccc2s1 1835935874 VKBQADRQBSTTFT-QHCPKHFHSA-N 496.354 -0.058 50 20 JBGD O=C(c1cccc(-n2cncn2)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835939343 MSKWSSKMLGTSMO-XMMPIXPASA-N 491.313 -0.669 50 20 JBGD O=C(CCBr)N1CCOC[C@]2(C1)CN(C(=O)CS(=O)(=O)N1CCCC1)CCO2 1836516503 CSIGDPNHMRMYHR-KRWDZBQOSA-N 482.397 -0.347 50 20 JBGD O=C1COc2ccc(C(=O)N3CCO[C@@]4(COCCN(C(=O)c5ccc(B(O)O)cc5)C4)C3)cc2N1 1836991983 JXARKSYGZOBGCW-XMMPIXPASA-N 495.297 -0.919 50 20 JBGD Cc1nc(N)sc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837457521 HYVWRQDUGGAIPZ-HXUWFJFHSA-N 475.531 -0.584 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3c(F)cncc3F)C2)C1 1837458818 DWWOZWNMPWYJSX-OAQYLSRUSA-N 476.440 -0.258 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(c3)CC(=O)N4)C2)C1 1837459098 ITLDSBYEQPYANJ-DEOSSOPVSA-N 494.508 -0.437 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(Cl)nn3)CCO2)C1 1837838157 WGQFZNNOEGPXOE-FQEVSTJZSA-N 475.893 -0.488 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3C[C@H](O)CN3)C2)C1 1838528063 CFYQSPURSRBZKQ-ZJBJCVSYSA-N 492.485 -0.687 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(N)=O)C2)C1 1838528380 UPFVOJABCKBCII-NRFANRHFSA-N 478.458 -0.144 50 20 JBGD CC[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCN(C)CC3)C2)C1 1839965355 WNFPGVIXWUNRRV-QFBILLFUSA-N 461.401 -0.136 50 20 JBGD C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1840907054 OOMKFULDWIAACJ-MRUHUIDDSA-N 473.954 -0.041 50 20 JBGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)CCN1CCOCC1 912852464 WKFHLJCCAXVEEV-UHFFFAOYSA-N 454.549 -0.490 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nccnc3C(N)=O)C[C@@H]21 1787508874 YWJVKWUQJRTZGA-OELZIHBXSA-N 482.501 -0.697 50 20 JBGD CCOc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)nn1 1789396144 VIFBHBUQUNTHQS-IEZWGBDMSA-N 454.292 -0.538 50 20 JBGD CCC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 1793981094 SPJFJGKOYZYTHR-HLPPOEQASA-N 480.953 -0.569 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@H]1COc3ccccc3O1)C2)c1cccc(B(O)O)c1 1795737787 SZPZBMWZBZEIQE-ZQYRFBGISA-N 466.299 -0.200 50 20 JBGD COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)n1 1795738849 IMKHDAWCJHWUBV-ZSBFGKGUSA-N 470.247 -0.805 50 20 JBGD C[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]c2c1CS(=O)(=O)C2 1795930245 WKPRUXBCXYJOOK-ORXSELOVSA-N 461.338 -0.175 50 20 JBGD C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN(C)NC(=O)NCc1ccccc1)C2)n1ccnn1 1800268150 WGHVEGFGKFNRKM-RDPOXOKHSA-N 484.561 -0.225 50 20 JBGD C[C@H](Br)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)CS(C)(=O)=O)CCO2 1831463069 BYINMBLJYACSGH-HEHGZKQESA-N 455.371 -0.093 50 20 JBGD CC[S@](=O)CCC(=O)N1CCC(N2CCC(NC(=O)c3cccc(B(O)O)c3)CC2)CC1 1834801028 HBHLLTCROZMQEC-YTTGMZPUSA-N 463.409 -0.290 50 20 JBGD CCCNC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnccc1C(=O)NN)CCO2 1837456598 OQIUQGRVDJLUQK-QFIPXVFZSA-N 476.534 -0.939 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc4c(c3)OCO4)C2)C1 1837457432 AYDNDRISICRUAT-DEOSSOPVSA-N 497.508 -0.274 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@H](N)c3cccnc3)C2)C1 1837457458 CSRZRMVDOAZCDH-WMZHIEFXSA-N 483.529 -0.760 50 20 JBGD COC[C@@H](NC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)CCBr)C2)C1 1837729739 KSUQQEVSOUODKI-PBHICJAKSA-N 450.330 -0.621 50 20 JBGD Cc1cc(C(=O)NCC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](F)Br)CCO3)no1 1839200828 QNLWKSBGVNEGAS-PBHICJAKSA-N 477.287 -0.140 50 20 JBGD CC[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCS(=O)(=O)CC3)C2)C1 1839963080 ZLJKKNSORKZSPM-YJBOKZPZSA-N 496.424 -0.653 50 20 JBGD CC(C)N1CCC[C@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1840583019 QEGGSGRUMZORKT-REWPJTCUSA-N 459.352 -0.691 50 20 JBGD CC(C)(C)OC(=O)N1CCN(CC(=O)N2CCCC23CN(C(=O)c2ccc(B(O)O)cc2)C3)CC1 1846968878 HSCFDWSCNNPTOL-UHFFFAOYSA-N 486.378 -0.264 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](O)N1CCOCC1 1848099516 SDCYSYIEUSUQKJ-JKQORVJESA-N 460.959 -0.029 50 20 JBGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2cc(S(N)(=O)=O)cn2C)c1 21330884 IXLSMLBNWDIHHL-UHFFFAOYSA-N 457.534 -0.222 50 20 JBGD CCCn1c(CCC(=O)NNC(=O)c2cnn[nH]2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 729456831 KCJIWBZKLLLLLW-UHFFFAOYSA-N 490.546 -0.021 50 20 JBGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)NCCNC(=O)C1CC1 915906509 QTVGRERBQXGMFJ-UHFFFAOYSA-N 467.548 -0.503 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)c3cc(-n4ccnc4)ccn3)C2)C1 1780387046 OHSICSKSIMQJIE-QHCPKHFHSA-N 461.287 -0.296 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C3(Br)CC3)C[C@@H]21)c1ccc(B(O)O)cc1 1786981975 UPKJAWVBBPNEKN-BPUTZDHNSA-N 451.126 -0.113 50 20 JBGD CN(CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CNC(=O)C3)[C@H]2C1)NC(=O)NCc1ccccc1 1790860406 XRAYUMFLTMAKBA-YRPNKDGESA-N 486.573 -0.552 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1ncn(-c2cccc(F)c2)n1 1794286190 VEABGNHBKXNECM-CWPLJXCYSA-N 479.277 -0.397 50 20 JBGD CC(=O)Nc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)cc1 1795739049 MXZHMAIDVXXLHP-BBIADKPPSA-N 465.315 -0.229 50 20 JBGD CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1 1796191334 ZSWGNOUIRFLHGX-WPVAHCMFSA-N 487.362 -0.012 50 20 JBGD CC(=O)N[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN)c1ccc(F)cc1 1797752722 BCFBHZLXMRQJTB-GQSCTRQFSA-N 498.515 -0.095 50 20 JBGD CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(B(O)O)c1)C2 1800166945 NLGLZZDBFAIPNT-RDGPPVDQSA-N 475.351 -0.106 50 20 JBGD O=C(NC[C@H]1CCN(C(=O)CNC(=O)C(F)(F)F)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807364736 GBPAHZCNIVYUNS-CRAIPNDOSA-N 478.236 -0.241 50 20 JBGD CN1CCN(CCC(=O)N2CCCC3(CCN(C(=O)c4cccc(B(O)O)c4)CC3)C2)CC1 1809551532 WEGGHRKQLORPCX-UHFFFAOYSA-N 456.396 -0.151 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1CCN(C(=O)[C@@H]2CCNC(=O)C2)[C@@H]1c1cccnc1 1810305384 KXCQBSMBVUZVOG-PTSWNOGYSA-N 465.514 -0.074 50 20 JBGD CCS(=O)(=O)N[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827048848 AKWZXLGMPZCMRU-JXFKEZNVSA-N 479.408 -0.073 50 20 JBGD O=C1NC(=O)[C@@H](CC(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(B(O)O)cc3)CC2)N1 1827050665 SWJOWOADSCHIQN-QZTJIDSGSA-N 456.308 -0.802 50 20 JBGD Cc1cc2nnc(C(=O)N3CCOC[C@]4(C3)CN(C(=O)[C@H](O)CCl)CCO4)c(C)n2n1 1830728468 UBHJEELZPZCADI-AUUYWEPGSA-N 452.899 -0.589 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3=NNC(=O)C3)C2)C1 1832549216 HOLHPCUSAXCDHH-VBKZILBWSA-N 487.941 -0.549 50 20 JBGD Cc1nn(C)c(C(=O)N2CCO[C@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)c1F 1833709059 OUZWCQWAIVKWQJ-FQEVSTJZSA-N 454.503 -0.689 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](C)n3cnnn3)CC2)CC1 1835118272 XDJXTVDOUMFHKX-KSXCTLEASA-N 484.565 -0.060 50 20 JBGD CN(C)C(=O)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](CCl)NC(=O)OC(C)(C)C)C2)C1 1835427302 GDTKVEHERNODBR-XOBRGWDASA-N 476.958 -0.337 50 20 JBGD CCOC(=O)c1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)ccn1 1835931632 ULDXWRXSXTXZSB-XMMPIXPASA-N 497.313 -0.678 50 20 JBGD O=C(c1ccc2nccnc2c1)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835937063 NDUTUUPLTFJAOU-DEOSSOPVSA-N 476.298 -0.307 50 20 JBGD COc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)ccn1 1835938353 SSRSGYJTCYDWHO-QFIPXVFZSA-N 455.276 -0.846 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1Cc3ccccc3O1)CCO2 1836647494 JBGLMVKJXASIEH-QPPBQGQZSA-N 466.299 -0.560 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)c1cc3cn[nH]c3cn1)CCO2 1837197533 LPPIHFADDLWFKC-QFIPXVFZSA-N 465.275 -0.979 50 20 JBGD C[C@@](O)(C(=O)N1CCOC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1)C(F)(F)F 1837455968 GZUPGTCNJWPDOB-MSOLQXFVSA-N 475.424 -0.932 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn4ccncc34)C2)C1 1837459651 VEOFCLVSYQHIDB-JOCHJYFZSA-N 480.485 -0.888 50 20 JBGD CCc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)c4cnccc4C(=O)NN)CCO3)C2)n(C)n1 1837459666 VMBMEOKSFMRNGY-QFIPXVFZSA-N 471.518 -0.635 50 20 JBGD O=C(O)c1cnncc1C(=O)N1CCC(OC2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1837921249 QGSLQZFEQDCXKZ-UHFFFAOYSA-N 482.302 -0.219 50 20 JBGD Cc1ncncc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1838095222 ZZEZLIYIRVUJIE-NRFANRHFSA-N 455.475 -0.833 50 20 JBGD CN1CCN(C2(C(=O)N3CCOC[C@@]4(CN(C(=O)[C@H](F)Br)CCO4)C3)CC2)CC1 1839201611 COEYYIPDOHDWRB-MAUKXSAKSA-N 477.375 -0.087 50 20 JBGD C[C@@H](Oc1ccccn1)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1840425901 GYMFBTNPWBCJPA-WAIKUNEKSA-N 484.513 -0.382 50 20 JBGD CN(CC(=O)N1CCCC12CN(C(=O)c1cnccc1C(=O)NN)C2)NC(=O)NCc1ccccc1 1845039029 VLAZBEFPSHJMCR-UHFFFAOYSA-N 494.556 -0.152 50 20 JBGD C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)NNC(=O)[C@@H]3CCS(=O)(=O)C3)cc2)C[C@@H](C)O1 9930810 IMGJMBRWUXCOIR-VNHYZAJKSA-N 459.546 -0.320 50 20 JBGD O=C(Cn1ncc2ccccc2c1=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 912893511 KJVFCWOAZXETBJ-UHFFFAOYSA-N 471.495 -0.121 50 20 JBGD O=C(CCCN1C(=O)CCC1=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 915635742 FWYBPTTVGLBFRI-UHFFFAOYSA-N 480.543 -0.283 50 20 JBGD Cc1ccc(=O)n(C(C)(C)C(=O)N2CCO[C@@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)n1 1779032335 NMTQNKPBZFTRNY-HSZRJFAPSA-N 483.529 -0.571 50 20 JBGD C[C@@H]1Oc2ccc(C(=O)N3CC[C@@]4(CN(C(=O)c5ccc(B(O)O)cc5)CCO4)C3)cc2NC1=O 1780175283 GIKWBAGUILHFTA-OWJWWREXSA-N 479.298 -0.157 50 20 JBGD CN(CC(=O)N1CC[C@]2(C1)CN(C(=O)Cn1ccncc1=O)CCO2)NC(=O)NCc1ccccc1 1780967884 AYWZVIGUVILTIW-DEOSSOPVSA-N 497.556 -0.581 50 20 JBGD COc1ccc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)c([N+](=O)[O-])c1 1781412609 KZODLTNVRDUJSR-HSZRJFAPSA-N 483.286 -0.031 50 20 JBGD COCCOCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN(C)NC(=O)NCc3ccccc3)C[C@@H]21 1786642162 JAZCBPXTLYUZJZ-ACRUOGEOSA-N 491.589 -0.025 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC[C@H](N)C(N)=O)C[C@@H]21 1789222148 ARRHJTIMHUNNNH-UHEFJODHSA-N 491.501 -0.294 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)c1ccccc1Cl)C2)c1cccc(B(O)O)c1 1795740661 GVEZDVWQADXDTQ-HRYATBACSA-N 458.707 -0.043 50 20 JBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nnsc1C1CC1)C2 1797750451 ABSJEYSDHPVSCQ-JJLQDPRZSA-N 457.516 -0.069 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1cc(F)cc([N+](=O)[O-])c1 1799628564 NUWPKOXEFLYJMY-CCWDJLKJSA-N 457.223 -0.069 50 20 JBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc2cccnc2nc1O 1799922368 NJPVAIPEPLQMBC-CCWDJLKJSA-N 456.503 -0.088 50 20 JBGD CC(=O)N1CCN(CC(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cnccc3C(=O)NN)n[nH]2)CC1 1819403345 FWPLKUCMDMVHSS-LJQANCHMSA-N 497.560 -0.122 50 20 JBGD O=C(CCN1C(=O)c2ccccc2C1=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830725595 KSSZZTYAGCLAEZ-HTAPYJJXSA-N 479.917 -0.271 50 20 JBGD Cc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)c(O)n1 1835931353 NSVZHNYXBUGFPU-JOCHJYFZSA-N 455.276 -0.841 50 20 JBGD COc1cccc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)n1 1835935229 JCUKVDYQCWRHQN-JOCHJYFZSA-N 455.276 -0.846 50 20 JBGD C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1)c1ccc(O)cc1 1839168773 JFAYOGPBRZYCQH-XDHUDOTRSA-N 468.315 -0.054 50 20 JBGD CCOC(=O)c1ncn2c1CC[C@H](C(=O)N1CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C1)C2 1839739264 WMJGLYFXJYGECT-YHEJKZAPSA-N 498.964 -0.322 50 20 JBGD CC(C)N1CCC[C@H]1C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840184745 DQSMSWBHIRKJTG-AVRDEDQJSA-N 453.584 -0.311 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN1CC(=O)NC1=O 1848067376 MOVOGKCHMBXYBD-GJZGRUSLSA-N 459.415 -0.113 50 20 JBGD CC(=O)NCC(=O)N1CCC[C@H]1C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 728455299 GAOYIZXEWAIDHZ-KRWDZBQOSA-N 465.532 -0.641 50 20 JBGD C[C@H]1CN(CCC(=O)NNC(=O)CNS(=O)(=O)c2ccc3c(c2)OCCCO3)C[C@H](C)O1 912918899 GINICMRPQMNZIR-GJZGRUSLSA-N 470.548 -0.227 50 20 JBGD CC(=O)Nc1ccc(C(=O)N2CC[C@@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)o1 1779026374 LGLHAUWVLJKFNE-OAQYLSRUSA-N 456.459 -0.006 50 20 JBGD C[C@H](Oc1ccccn1)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779034788 UWJMQKIYXADEIO-OYHNWAKOSA-N 454.487 -0.009 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](C)N3CCN(C)CC3)C2)C1 1781094690 LCIQMSCGYCTIAZ-UAZFOLIYSA-N 473.578 -0.414 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](O)NC(=O)OC(C)(C)C)C2)C1 1781858269 SMFNOKKZTQHSJZ-QACWDQBZSA-N 492.533 -0.207 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)C2)C1 1781938024 XQVNYCGIEOINKO-OAQYLSRUSA-N 455.232 -0.263 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)c3nc4cc([N+](=O)[O-])ccc4[nH]3)C2)C1 1782182670 WTNHXPZZHGIARA-QFIPXVFZSA-N 479.258 -0.092 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nnc(-c3ccccc3)o1)C2)c1ccc(B(O)O)cc1 1795734464 PISDSHJVMDPSDH-IZZQQSIFSA-N 462.271 -0.067 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc3c1OCCO3)C2)c1cccc(B(O)O)c1 1795739258 XODOYDVMKWASDD-CWPLJXCYSA-N 452.272 -0.345 50 20 JBGD Cc1nc[nH]c1CSCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797751683 OIOIBHPZTYVKAP-HBCWATKFSA-N 473.559 -0.147 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H](CNC(=O)[C@H]2CCNC(=O)C2)[C@H]1c1cccnc1 1813134494 CPHSZJWZFJBRJE-YYFZDKIDSA-N 465.514 -0.074 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)c1ccco1)CCO2 1829823957 KPZWEIJFNFYUGW-UTKZUKDTSA-N 459.459 -0.918 50 20 JBGD C[C@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)nc(O)n3)C2)C1 1830538544 IVXHWMWRFPDPBP-DIFFPNOSSA-N 459.297 -0.011 50 20 JBGD C[C@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3nc(N)n[nH]3)C2)C1 1830539266 FWCRCHDSLTUIOH-SJKOYZFVSA-N 459.345 -0.193 50 20 JBGD CC(=O)N[C@H](Cc1cccc(F)c1)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](O)CCl)CCO2)C1 1830737120 AKDVYSOHNZVYEI-DXIQSLLYSA-N 485.940 -0.071 50 20 JBGD CC(C)(C)OC(=O)N[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](O)CCl)CCO2)C1)C(C)(C)O 1830738963 WLXQQPCFHMLDBO-VTJXTGGHSA-N 493.985 -0.293 50 20 JBGD CN(CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc[nH]n1)CCO2)NC(=O)NCc1ccccc1 1831767008 TYJRLZOZUCQPLP-HSZRJFAPSA-N 485.545 -0.174 50 20 JBGD COc1cc(C(=O)N2CCC(N3CCC(NC(=O)c4cccc(B(O)O)c4)CC3)CC2)n(C)n1 1834800196 YPMFDLFTXRYPOF-UHFFFAOYSA-N 469.351 -0.393 50 20 JBGD NC[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1)c1ccccc1 1835817338 VFQXDVCHIAYCLL-YADARESESA-N 482.541 -0.502 50 20 JBGD O=C(c1cc(=O)n2[nH]cnc2n1)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1835923812 GZODTNYGHQYJAX-LRDDRELGSA-N 473.259 -0.822 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)C3CCC4(CC3)OCCO4)C2)C1 1835932207 TZDCNFDOXRFREG-QHCPKHFHSA-N 488.346 -0.630 50 20 JBGD CCN1CCC(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)CC1 1835933897 IIMWLNNLOYNHLT-QHCPKHFHSA-N 459.352 -0.832 50 20 JBGD C[C@H](Nc1nccs1)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835936962 MBIOTNOWWBPSFP-BTYIYWSLSA-N 474.348 -0.607 50 20 JBGD COc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)cc1OC 1835939263 JHFMSYDNWWRKAA-XMMPIXPASA-N 484.314 -0.233 50 20 JBGD Cn1cc(C(=O)N2CCOC[C@]3(CN(C(=O)c4cnccc4C(=O)NN)CCO3)C2)c2cccnc21 1837458957 GNHJVILFFGSNDA-XMMPIXPASA-N 493.524 -0.044 50 20 JBGD Cc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)nc2nccn12 1837459590 LAZYPNWGAUNAQA-HSZRJFAPSA-N 494.512 -0.580 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccnc(Cl)n1)CCO2 1837928128 JNBWZGTUWGTXID-LJQANCHMSA-N 454.915 -0.427 50 20 JBGD CC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](Cc3cnc[nH]3)NC(C)=O)C2)C1 1839148987 PLMNKPPJVUNIFK-SQGPQFPESA-N 455.943 -0.069 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(O)c([N+](=O)[O-])c1)CCO2 1839273135 BWKIUYCCJPOWBQ-QFIPXVFZSA-N 485.258 -0.636 50 20 JBGD CC[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)NS(=O)(=O)CC)C2)C1 1839963112 ZZXKQGJJIGGMLI-ZQIUZPCESA-N 484.413 -0.056 50 20 JBGD COC(=O)C12CC(C(=O)N3CCO[C@]4(COCCN(C(=O)c5cnccc5C(=O)NN)C4)C3)(C1)C2 1840005760 RTIIEFOACFMNDQ-VNXZQDSDSA-N 487.513 -0.902 50 20 JBGD C[C@@H](Nc1cccnc1)C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840183925 HZZMNLRSFVQLHG-VGSWGCGISA-N 462.551 -0.289 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(c3)OCO4)C2)C1 1840184162 ASTAMLBYZJSXKT-JOCHJYFZSA-N 462.503 -0.142 50 20 JBGD CC(C)n1nccc1C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840184873 BOVCOHFKYDEGOA-NRFANRHFSA-N 450.540 -0.093 50 20 JBGD C[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1)n1cccc1 1840352730 LSGFOIPRRYZXNR-AOMKIAJQSA-N 456.503 -0.182 50 20 JBGD COCCn1cnc2c1c(=O)n(CC(=O)NNC(=O)c1cnn(C)c1)c(=O)n2Cc1ccccc1 10161657 CQMACMJRITTXFR-UHFFFAOYSA-N 480.485 -0.751 50 20 JBGD CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NNC(=O)c2csc(N3CCOCC3)n2)c1 12802138 PJYCVVOFSTTYKJ-UHFFFAOYSA-N 498.587 -0.367 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1CC(=O)N(C3CCCC3)C1)CCO2 1779029460 XSYAJAMDSYEHCG-FYSMJZIKSA-N 484.557 -0.080 50 20 JBGD Cn1c(=O)n(C)c2cc(C(=O)N3CCO[C@]4(CCN(C(=O)c5cnccc5C(=O)NN)C4)C3)ccc21 1779030230 KYOZAFSODQGNOI-DEOSSOPVSA-N 493.524 -0.367 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)c3cc(-c4ccncc4)[nH]n3)C2)C1 1779591711 XDSDULABWHXYSV-HSZRJFAPSA-N 461.287 -0.091 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3cn4c(nc3=O)SCC4)C[C@@H]21)[C@@H](O)CCl 1784092697 MHHXMXUCLXYRLQ-MXAVVETBSA-N 456.952 -0.529 50 20 JBGD CCS(=O)(=O)N[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](F)Br)C[C@@H]21 1784445325 IAMFYRRIQUURNA-MOLYVOAJSA-N 458.350 -0.016 50 20 JBGD Nc1c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)sc2nccnc12 1786984316 CIHYSPKZJYWZKN-BPUTZDHNSA-N 481.343 -0.140 50 20 JBGD COC(=O)c1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cnccc4C(=O)NN)[C@H]3C2)cn1 1788610202 JSZRKPGWADDJJM-FNHZYXHNSA-N 482.497 -0.226 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1nc(N)n[nH]1)C2 1796442049 PJLUBPGUAWOKRT-GPVAFHQSSA-N 457.495 -0.957 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1n[nH]c2c1CCc1ncccc1-2 1798476545 VMNRJVUJOQAQHX-VPTLXERWSA-N 487.325 -0.233 50 20 JBGD CN(CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1CC(O)C1)C2)NC(=O)NCc1ccccc1 1799095390 QBQTYWCKPAOKHB-XUOIZXLYSA-N 459.547 -0.307 50 20 JBGD COCCOCCOCCOCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnccc1C(=O)NN)C2 1802102739 GZUNBWSKVZNEJC-BCDXTJNWSA-N 493.561 -0.367 50 20 JBGD CC(=O)NC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807361703 XASDTDPECCSUOB-AZUAARDMSA-N 452.320 -0.004 50 20 JBGD O=C(NC[C@H]1CCN(C(=O)CN2CCOC2=O)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807363449 DTXROLHFQCVMII-YLJYHZDGSA-N 452.276 -0.467 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@H]1CCN(C(=O)Cn2cnnn2)[C@H]1c1cccnc1 1810302198 IADRHJGZTVHQHA-KDOFPFPSSA-N 450.463 -0.914 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1CCc2nc(NC(=O)Cn3cnnn3)sc2C1 1815680945 UJSBMBVPAKSYDL-BPDROILWSA-N 456.492 -0.124 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)CS(C)(=O)=O)CCO2 1831455769 CCDKESMDCBIONR-PPWPJBLKSA-N 497.574 -0.743 50 20 JBGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CCNC(=O)c3ccc[nH]3)CCO2)C1 1832881779 SFZJBEVKXIUJND-YWZLYKJASA-N 456.927 -0.155 50 20 JBGD CCC(=O)N[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3cnccc3C(=O)NN)CC2)CC1 1833419879 IJRKJIHOKFSWCP-HNNXBMFYSA-N 473.578 -0.215 50 20 JBGD Cc1nc(C)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)s1 1834072702 POAKTTHJHJRJKK-OAQYLSRUSA-N 459.333 -0.176 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)[C@@H]3CC[C@@H]4CCC(=O)N4C3)CC2)CC1)c1ccc(B(O)O)cc1 1834798273 AYZUMBDKQKSDIH-AUSIDOKSSA-N 496.417 -0.047 50 20 JBGD CC(C)CNC(=O)C(=O)NC1CCN(C2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1 1835129289 OJGKTTUUCIDKOM-UHFFFAOYSA-N 452.600 -0.297 50 20 JBGD C[C@@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(=O)n4[nH]cnc4n3)CCO2)C1 1835919389 SFMHPAZLGBTJRJ-SGTLLEGYSA-N 483.323 -0.481 50 20 JBGD COC(=O)[C@H]1CC[C@H](C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)CC1 1835927172 JXVKCUYMDCBDPB-ROMRWMGNSA-N 488.346 -0.584 50 20 JBGD C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1)n1cccc1C=O 1835955524 KLQCBKLCHFDBAA-QMHKHESXSA-N 484.513 -0.370 50 20 JBGD CN(CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCCO1)CCO2)NC(=O)NCc1ccccc1 1836223457 VILJLJAUJVXNRP-YKSBVNFPSA-N 489.573 -0.032 50 20 JBGD C[Si](C)(C)OCC(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)C(F)(F)F)C2)C1 1837718070 WYKGHZHEWNENKK-MRXNPFEDSA-N 455.506 -0.027 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(Cl)cn1)CCO2 1837894692 ZEYQBHNKWIBDHZ-OAQYLSRUSA-N 459.695 -0.201 50 20 JBGD CC[C@H](Br)C(=O)N1CC2(CCCN2C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)C1 1841985230 JSYRZPKBHZPTJO-LBPRGKRZSA-N 481.351 -0.189 50 20 JBGD CCn1cnc2c1c(=O)n(CC(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1)c(=O)n2Cc1ccccc1 15639559 OEEIWPHAEOQFRF-HNNXBMFYSA-N 488.526 -0.990 50 20 JBGD Cn1cc(S(=O)(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1C(=O)O 912979326 IAHMTYGRWQEHHN-UHFFFAOYSA-N 472.501 -0.633 50 20 JBGD C[C@H](C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1)N1C(=O)c2ccc(Br)cc2C1=O 919890016 YLCRPNLGJHBJKH-SCZZXKLOSA-N 473.305 -0.049 50 20 JBGD COC[C@H](Cl)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CN2CCN(C(C)=O)CC2)C1 1778910641 QYLXAFPWCBBJLR-WAOWUJCRSA-N 458.987 -0.082 50 20 JBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(CCN(C(=O)Cc3cn4c(nc3=O)SCC4)C2)C1 1780940014 ODCVDUDFGLJPLT-IFXJQAMLSA-N 456.952 -0.025 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)C3CCC4(CC3)OCCO4)C2)C1 1782940289 DZLOTWLZNIGZKQ-JOCHJYFZSA-N 458.320 -0.257 50 20 JBGD CN1CC(C(=O)N2CC[C@@]3(CN(C(=O)CN(C)NC(=O)NCc4ccccc4)CCO3)C2)C1 1784784294 OUSGTACGPVLFBI-HSZRJFAPSA-N 458.563 -0.276 50 20 JBGD CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21 1787127069 XHIMTRIFQQBKBZ-UYLCUJDWSA-N 475.970 -0.064 50 20 JBGD CN(CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1nc(N)n[nH]1)NC(=O)NCc1ccccc1 1797625821 VBOIBGLCHWRYAR-UPHUGPLXSA-N 499.576 -0.745 50 20 JBGD CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1800736791 SSJRMBJGLWLVNL-WTOCRXRJSA-N 499.373 -0.318 50 20 JBGD CC[C@H](NC(N)=O)C(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1808228404 CZHKRUPYXVIFBC-NEWSRXKRSA-N 453.308 -0.472 50 20 JBGD COC[C@H](Cl)C(=O)NC[C@@H]1CCN(C(=O)c2cc(=O)n3[nH]nnc3n2)[C@@H]1c1cccnc1 1813030083 DIXZDHMVKIQUFB-HEHGZKQESA-N 460.882 -0.219 50 20 JBGD O=C(c1n[nH]cc1I)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830731553 LYXXZDDIDOKENV-NHYWBVRUSA-N 498.705 -0.316 50 20 JBGD Cc1noc(C)c1CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1832555731 WIRSERHEYZUICU-QFIPXVFZSA-N 457.292 -0.716 50 20 JBGD Cc1nnc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)s1 1833021037 ITLPLVHVTDSJQO-NRFANRHFSA-N 489.558 -0.452 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)c1ccccc1)CCO2 1835287045 PUIUMAKYFFJUQR-REWPJTCUSA-N 454.288 -0.830 50 20 JBGD N#C/C(=C\c1ccc(F)cc1F)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](N)CCC(N)=O)CCO2 1835564421 MQLTZRJIXKWTOE-WCPBPTQFSA-N 491.495 -0.079 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC1CCN(C2CCN(C(=O)CSc3nc[nH]n3)CC2)CC1 1835738356 YUTNUDUYGPIYDK-UHFFFAOYSA-N 487.590 -0.219 50 20 JBGD O=C(c1ccc2c(c1)OCCO2)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835928270 HRUXWEFJZVKWEC-XMMPIXPASA-N 482.298 -0.479 50 20 JBGD COc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)cc(Cl)n1 1835931602 SMJHWZTZVXLNTB-JOCHJYFZSA-N 489.721 -0.193 50 20 JBGD O=C(CCCn1cccc1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835934159 NGQRFJMPSOKVIZ-QHCPKHFHSA-N 455.320 -0.282 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCC(N2CCC(NC(=O)c3cc(=O)ccn3C)CC2)CC1 1836110347 GZVIJQKZUJRINN-UHFFFAOYSA-N 460.579 -0.057 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)c1cnc3[nH]ncc3c1)CCO2 1836810121 MPYAXUXAEYDZFJ-QFIPXVFZSA-N 465.275 -0.979 50 20 JBGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)NC(=O)c3ccccn3)CCO2)C1 1839667269 GTOVNWSMMAOWAT-MRUHUIDDSA-N 468.938 -0.090 50 20 JBGD CC[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1839964312 NLGIKQLLSMUGNS-VQIMIIECSA-N 469.141 -0.390 50 20 JBGD C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1840089552 UFIKLDVQCYOHIB-WAIKUNEKSA-N 491.350 -0.650 50 20 JBGD CC(C)(C)OC(=O)N1CCC(O)(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2ccc(B(O)O)cc2)CC1 1847978121 NASWDZBBXFQPHQ-OALUTQOASA-N 487.362 -0.056 50 20 JBGD CCCNC(=S)NNC(=O)Cn1c(=O)c2c(ncn2CCOC)n(Cc2ccccc2)c1=O 15763278 FZJNCJGUPIZDDM-UHFFFAOYSA-N 473.559 -0.040 50 20 JBGD CCNC(=O)CCC(=O)NNC(=O)Cn1c(=O)c2c(ncn2CC)n(Cc2ccccc2)c1=O 729259787 IDHZULNKPHRSMH-UHFFFAOYSA-N 469.502 -0.508 50 20 JBGD Cc1ccc(S(=O)(=O)N2CCC(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)CC2)cc1C 729277026 RRSKCHPDTTVINT-CQSZACIVSA-N 460.578 -0.211 50 20 JBGD NC(=O)CC[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)NNC(=O)c1ccccc1F 771789520 XCJSAFGGSDIWEX-OAHLLOKOSA-N 480.474 -0.030 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(C1)CN(C(=O)c1cccn(C(F)F)c1=O)CCO2 1779032770 YCIDVDAUVBXELW-NRFANRHFSA-N 476.440 -0.001 50 20 JBGD CC(C)(C)OC(=O)N1CC(F)(C(=O)N2CC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)C1 1785684125 PGVKYBUPWIFWKW-JOCHJYFZSA-N 491.325 -0.231 50 20 JBGD COC(=O)[C@H]1CC[C@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cnccc4C(=O)NN)[C@H]3C2)C1 1788607942 YDNPGURJPMBVFO-FLKCQLHMSA-N 473.530 -0.132 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1nc2ccc(F)cn2n1 1790528492 WPPBEDHDLGAKSV-WBAXXEDZSA-N 467.266 -0.545 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)[C@@H]1CC(c2ccccc2)=NN1 1790549717 QNWJTRNTAMHXQR-HMNCIZAVSA-N 476.342 -0.274 50 20 JBGD CC(C)(C)OC(=O)N[C@H](CCN)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(B(O)O)cc1)C2 1796029856 GZLPVYIETOQEJV-FCGDIQPGSA-N 474.367 -0.140 50 20 JBGD CC(C)(C)OC(=O)N[C@]1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](O)CCl)C3)CCOC1 1799331635 XQQJPCNUHKHMLZ-YJVQVXSTSA-N 461.943 -0.141 50 20 JBGD CC(C)(C)OC(=O)NCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1801955687 COWQWABRMLWWOV-ZSBFGKGUSA-N 476.534 -0.197 50 20 JBGD O=C(CCN1C(=O)C=CC1=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1803916317 LYLRMCNZFREWME-WZONZLPQSA-N 476.298 -0.604 50 20 JBGD O=C(NC[C@H]1CCN(C(=O)COc2cccnn2)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807376468 ZSXBIEVGPAWSMX-GCJKJVERSA-N 461.287 -0.050 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)c2cc(O)nc(O)n2)[C@@H]1c1cccnc1 1808303964 NAPKKKSOMUFHQS-KUHUBIRLSA-N 457.491 -0.025 50 20 JBGD O=C(CS(=O)(=O)N1CCCC1)N1CCC2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)CC1 1809978624 ZZOPZZPTTXWGGY-UHFFFAOYSA-N 477.392 -0.363 50 20 JBGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1)c1cc(=O)nc2cccnn12 1811336445 RWGQKYHGKXERJS-FDDCHVKYSA-N 498.308 -0.202 50 20 JBGD O=C(Cn1ccncc1=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1812342210 VOZTWRNUTQLWSW-AVRDEDQJSA-N 461.287 -0.662 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H](CNC(=O)COc2ccc(O)nn2)[C@@H]1c1cccnc1 1812351907 OZBOXSFDVKODIL-VFNWGFHPSA-N 492.496 -0.026 50 20 JBGD C[C@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(O)nc3O)C2)C1 1830538358 CVLXXASKNJIRAP-PIGZYNQJSA-N 459.297 -0.011 50 20 JBGD C[C@H](NC(=O)c1ccccc1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830738721 SJFVVNPWAMXORT-HZUJVAHNSA-N 453.923 -0.139 50 20 JBGD CC(=O)N[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1)C(C)(C)C 1831093147 FKXWQPOUQCBGLU-UGKGYDQZSA-N 469.583 -0.633 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)CC(N)=O)CCO2 1831603567 KTSCVRLNXXMYKI-DIJUQXPGSA-N 462.507 -0.912 50 20 JBGD CN1N=C(C(=O)N2CCC(N3CCC(NC(=O)c4ccc(B(O)O)cc4)CC3)CC2)CCC1=O 1834797361 GIVLAUCYARIOEA-UHFFFAOYSA-N 469.351 -0.840 50 20 JBGD C[C@H](Cc1ccccn1)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835933637 FBGHUMRIXYTFTJ-KOSHJBKYSA-N 467.331 -0.290 50 20 JBGD Cn1ccc2c(O)ncc(C(=O)N3CCOC[C@]4(CN(C(=O)c5cccc(B(O)O)c5)CCO4)C3)c21 1835937894 AHHICONFULJMRH-DEOSSOPVSA-N 494.313 -0.658 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)c3cc(Cl)ccn3)C2)C1 1835937995 DNDNAVAFPZMPHN-NRFANRHFSA-N 459.695 -0.201 50 20 JBGD COc1ccc(COCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)cc1 1835939847 KVSRATJVHNPPKK-RUZDIDTESA-N 498.341 -0.338 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)C3Cc4ccccc4C3)C2)C1 1835940885 CRGISFOBARJGLE-VWLOTQADSA-N 464.327 -0.149 50 20 JBGD C[C@H](CBr)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)N1CCOCC1)CCO2 1837512386 JTGMEVYVYJXDCX-HFTRVMKXSA-N 464.357 -0.876 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)CCO2 1838827921 DAXJTPLABWHQPG-IBGZPJMESA-N 452.468 -0.634 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)c1onc3ccccc13)CCO2 1839545251 WKOBVXZHQZIIEX-HSZRJFAPSA-N 465.271 -0.109 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)c3cccs3)C2)C1 1840182760 SZVVVRGJFNQYDA-NRFANRHFSA-N 481.575 -0.693 50 20 JBGD COC1(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)CCC1 1840616985 UCZVFIWXFDGCBU-QFIPXVFZSA-N 461.519 -0.286 50 20 JBGD C[C@]1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)CC1(F)F 1840826972 DSKQYVFMWZKJAR-MOPGFXCFSA-N 453.446 -0.200 50 20 JBGD CC(C)C(=O)Nc1nc(O)c2ncn(CC(=O)N3CCCC34CN(C(=O)[C@@H](O)CCl)C4)c2n1 1845884118 BBKLNEUQDMRTKF-LBPRGKRZSA-N 479.925 -0.071 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](O)N1CCOCC1 1848099517 SDCYSYIEUSUQKJ-QBYUYEEZSA-N 460.959 -0.029 50 20 JBGD CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 728385202 PWIUZUSLOOGHTM-GUYCJALGSA-N 489.572 -0.267 50 20 JBGD O=C(CNC(=O)c1cccs1)NNS(=O)(=O)c1ccc(N2C[C@H](C(=O)O)CC2=O)cc1 751278860 DDDBYUDDXGXALC-LLVKDONJSA-N 466.497 -0.075 50 20 JBGD O=C(COC(=O)CN1C(=O)NC2(CCCCC2)C1=O)NNC(=O)[C@@H]1COc2ccccc2O1 794173984 FGDAXONQQOXJCF-HNNXBMFYSA-N 460.443 -0.228 50 20 JBGD O=C1Nc2ccccc2/C1=C/C(=O)N1CC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1778901323 MKRKALGUWGOLEP-NAJSETDRSA-N 461.283 -0.154 50 20 JBGD C[C@@H](C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1)N1CSCSC1 1779144172 BAKSVGSWMIQOAT-YWZLYKJASA-N 465.406 -0.147 50 20 JBGD CC[S@@](=O)CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnccc2C(=O)NN)C1 1779372216 CBBJNEBKMLAIHV-HWVJKLMQSA-N 465.576 -0.029 50 20 JBGD CS(=O)(=O)Cc1ncccc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]2C1 1784086152 GUSBUNSADBWFRE-CSFVBSKPSA-N 459.952 -0.181 50 20 JBGD COCCn1nccc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786983614 YGWUNUTVWMYREZ-QRFRQXIXSA-N 456.308 -0.884 50 20 JBGD O=C1Cc2cc(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)c5ccc(B(O)O)cc5)C[C@@H]43)ccc2N1 1788261495 WFAIPQWAYMSBNJ-LRQRDZAKSA-N 463.299 -0.232 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)c1ccc(B(O)O)cc1 1795736286 WBDAOKVXMLQJLD-ZSBFGKGUSA-N 460.679 -0.052 50 20 JBGD CC(C)(C)OC(=O)N1[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)C[C@H]2C[C@H]21 1802136681 RRTVUFNHTGXOCZ-JFLLUYDKSA-N 499.373 -0.033 50 20 JBGD CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](O)CCl)C3)C1 1802233211 JQHLWUVSKMVPNE-YIDVYQOGSA-N 461.943 -0.188 50 20 JBGD CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(B(O)O)cc1)C2 1802839018 LUEGBSRFZODZFY-GSEOLPGOSA-N 453.308 -0.911 50 20 JBGD O=C(NC[C@H]1CCN(C(=O)c2cc(O)nc(O)n2)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807375135 MXDFSTBTRCJNLA-DNVCBOLYSA-N 463.259 -0.404 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)c2cnc(O)nc2O)[C@@H]1c1cccnc1 1808279339 BZNOEEWYJRQJIR-KSSFIOAISA-N 457.491 -0.025 50 20 JBGD CC(=O)NCCC(=O)NC[C@@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1812661730 KCYTWADICBZRHO-JXFKEZNVSA-N 453.503 -0.074 50 20 JBGD O=C(CN1C(=O)C=CC1=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827055117 QLFJQBPQVRXLRN-LJQANCHMSA-N 453.304 -0.475 50 20 JBGD C[C@H](CS(C)(=O)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1 1831461722 ZXXWQIWJVJCXLA-CRAIPNDOSA-N 450.630 -0.025 50 20 JBGD Cc1cccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)n1 1832611339 BTVODJZFHLHOGY-DEOSSOPVSA-N 467.331 -0.227 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3cnc[nH]3)CCO2)C1 1832808072 AIUBUGDOVRTUKB-SYOQMXFQSA-N 471.518 -0.067 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnn(C)c1)CCO2 1834171767 QRNRWMRXAYUAGL-SGSZHJQISA-N 457.491 -0.376 50 20 JBGD CN(C)c1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)nc1 1835935265 LMCWNDVFNVBWOT-HSZRJFAPSA-N 468.319 -0.789 50 20 JBGD CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1836213731 PMFGQFSJWBMWAJ-VCAMNPENSA-N 491.969 -0.587 50 20 JBGD CN1CCN(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](F)Br)C3)C2)CC1 1836675917 MZBITMSUDCIGLY-NVXWUHKLSA-N 451.337 -0.619 50 20 JBGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cn4c(nc3=O)SCC4)CCO2)C1 1839044775 XHZSIPTYJMQAFD-MGPUTAFESA-N 486.978 -0.398 50 20 JBGD CN(CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@](C)(Cl)CCl)C2)C1)C(=O)C(=O)O 1839703891 LJBYLOFJWDLDPQ-SJORKVTESA-N 454.307 -0.778 50 20 JBGD COc1cncc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)CCC(=O)NN(C)C)CCO3)c1 1840182748 SCCCXBSFUPKTSM-HSZRJFAPSA-N 477.562 -0.148 50 20 JBGD C[C@H](Cn1cccn1)C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840183478 GUFCCQWFHHKEHE-UTKZUKDTSA-N 450.540 -0.651 50 20 JBGD CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 732308313 WWWYSOSEUDLCNL-UKRRQHHQSA-N 463.603 -0.023 50 20 JBGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)CN(C)S(=O)(=O)c1cccnc1 915109600 LYQCSOZDVLKDTJ-UHFFFAOYSA-N 454.534 -0.235 50 20 JBGD CN(CC(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1)C(=O)OC(C)(C)C 1779030657 GNCIQPUBBDOQOA-QFIPXVFZSA-N 476.534 -0.005 50 20 JBGD CN(CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1CCC(=O)N1)CCO2)NC(=O)NCc1ccccc1 1780969958 PLOFOXBFSSSLMJ-FDDCHVKYSA-N 472.546 -0.559 50 20 JBGD NC(=O)c1ccccc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2 1780990367 NJCJDEYCOPLQRQ-HYBUGGRVSA-N 465.315 -0.093 50 20 JBGD COc1ccc(CC(=O)N2CC[C@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)c(C#N)c1 1781173631 HPSUOPROLWRJAX-DEOSSOPVSA-N 463.299 -0.067 50 20 JBGD COC[C@@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)Cc3cn4c(nc3=O)SCC4)CCO2)C1 1783880772 FNGDBDTYXYBWRG-KUHUBIRLSA-N 456.952 -0.025 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21 1788611399 ZGAKQPJCKOFGPE-KLWAUTOCSA-N 474.518 -0.193 50 20 JBGD N#Cc1ccc2[nH]nc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)c3cnccc3C(=O)NN)c2c1 1797754108 WEIADAWKRAOAAH-HBCWATKFSA-N 474.481 -0.050 50 20 JBGD C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2)N1CSCSC1 1797843384 KKRJFUDBWWBMFU-VWPFQQQWSA-N 480.616 -0.069 50 20 JBGD Cc1ccc(=O)n(C(C)(C)C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(=O)NN(C)C)C3)n1 1797910929 GBOJTJZDRMTQGA-CWPLJXCYSA-N 462.551 -0.751 50 20 JBGD C[Si](C)(C)OCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]c3c1CS(=O)(=O)C3)C2 1797954721 BROYZQZONZLBRV-DRXBFXEBSA-N 456.597 -0.107 50 20 JBGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1csc2c1c(=O)n(C)c(=O)n2C 1799062801 PXNGLRZOVVEZSP-LOUJCGABSA-N 498.989 -0.315 50 20 JBGD CC[C@@H](NC(N)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN(C)NC(=O)NCc1ccccc1 1799094958 MNDHOFSYDIAFKL-AJYBTWMASA-N 489.577 -0.631 50 20 JBGD CC(=O)N/C(=C\c1ccco1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1799686256 SSHVBZYHCSQLGW-UTPKTXBFSA-N 467.287 -0.660 50 20 JBGD CC(=O)N[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C)c1ccc(F)cc1 1801012446 GNMFZDFLRYNBCS-YVCBRDFCSA-N 477.537 -0.035 50 20 JBGD 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GHRLPKGQQGVCMD-DEOSSOPVSA-N 467.331 -0.227 50 20 JBGD O=C(Cc1ccc(F)cn1)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835935576 LLLUEDWWAXHJFT-QFIPXVFZSA-N 457.267 -0.787 50 20 JBGD C[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1)n1cccc1C=O 1835955471 UOSKQFDHJIGBIX-SBUREZEXSA-N 469.303 -0.688 50 20 JBGD C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1)n1cccc1C=O 1835955526 KLQCBKLCHFDBAA-WAIKUNEKSA-N 484.513 -0.370 50 20 JBGD CCCC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C2)C1 1837673483 DBXICFHFTAKHFZ-FIZADHFMSA-N 490.561 -0.118 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccncc1O)CCO2 1837817671 FTZHASBOZZNLMC-IBUSPFOHSA-N 470.486 -0.009 50 20 JBGD CC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CS(=O)(=O)N3CCCC3)C2)C1 1839144935 OOVWYHNJSPTABE-YJBOKZPZSA-N 451.973 -0.114 50 20 JBGD Cc1nc(S(=O)(=O)NCCC(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cn1C 750658275 GDRJPWLUUJLELP-UHFFFAOYSA-N 472.549 -0.892 50 20 JBGD C[C@@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2)[C@@H]1SC(=N)NC1=O 1778081642 PUMJJKKMRCQNTB-DAAPVNGYSA-N 488.375 -0.704 50 20 JBGD CCOC(=O)N[C@H](O)C(=O)N1CC[C@@]2(CN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)CCO2)C1 1778785320 XHRQPIHRCOMHSI-RTMXIDJKSA-N 464.479 -0.985 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)/C=C/C(=O)NCc3ccco3)C2)C1 1779210573 HMOSJYPXEGAQKN-HVPBSWBLSA-N 461.519 -0.345 50 20 JBGD CS(=O)(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cnccc1C(=O)NN)C2 1782720941 VRJZKPKIIUVHDS-OXQOHEQNSA-N 467.548 -0.753 50 20 JBGD COC[C@@H](NC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](CCl)NC(=O)OC(C)(C)C 1793880257 VRSVKKSNKDJMQQ-NNXHMXCWSA-N 490.985 -0.141 50 20 JBGD COc1cncc(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)c1 1794054079 YSBRCTMYHHKFDI-VPTLXERWSA-N 468.514 -0.075 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnn3cccc(F)c13)C2)c1cccc(B(O)O)c1 1795740508 COXRQKWJBFDHIX-CCWDJLKJSA-N 452.251 -0.330 50 20 JBGD COC(=O)[C@H]1CC=CC[C@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1800949985 BJOGUSNEIGKZFA-LWASTNQWSA-N 456.304 -0.675 50 20 JBGD CN1CCN(CCC(=O)NC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)CC1 1806910478 DOZJPUPNWCRZTQ-URXFXBBRSA-N 479.390 -0.282 50 20 JBGD O=C(Cn1cccc([N+](=O)[O-])c1=O)N1CCC2(CCCN(C(=O)c3ccc(B(O)O)cc3)C2)CC1 1809973229 BJDIBFCWFWMLQT-UHFFFAOYSA-N 482.302 -0.019 50 20 JBGD O=C(Cn1ccccc1=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1815442974 LSIOIHSKSWUKEG-HNNXBMFYSA-N 452.301 -0.089 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CC[C@@H](N)C(N)=O)CC1 1828926330 GHQCSGVGWQKDBL-QZTJIDSGSA-N 459.551 -0.489 50 20 JBGD C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1)n1ccnc1 1830979944 HGTNEYJGDYNRAS-QVKFZJNVSA-N 457.491 -0.787 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@](C)(O)C(F)(F)F)CCO2 1832157300 WOQVLLLLMVFVED-WPXQYKPHSA-N 489.451 -0.110 50 20 JBGD CC(C)c1nc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)no1 1832791742 METLYCUODFQNCL-OAQYLSRUSA-N 466.539 -0.435 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(CN(C(=O)CCc3cnc[nH]3)CCO2)C1 1832811467 OPWRYWSSJBVFNX-NRFANRHFSA-N 457.491 -0.889 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCC(N2CCC(NC(=O)[C@@H](N)Cc3cscn3)CC2)CC1 1835050049 WCMHBCOIIVBOSX-IBGZPJMESA-N 479.651 -0.043 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnc(N)s1)CCO2 1835841494 WFPZADGHENHHCP-FINLKQIMSA-N 475.531 -0.071 50 20 JBGD COc1cscc1C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835928688 VSJSYANJWGCJAR-NRFANRHFSA-N 460.317 -0.180 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cn1cc(Cl)cn1)CCO2 1835976615 SFJNOBWNJMCGFI-LJQANCHMSA-N 456.931 -0.634 50 20 JBGD CS(=O)(=O)Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)cn1 1836378365 JUTUMDDLNXSONH-APWZRJJASA-N 475.951 -0.704 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc3n(n1)CCCO3)CCO2 1836968202 GPDMZCLGBMDSIN-DZQSVEARSA-N 499.528 -0.130 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3Cc4ccccc4O3)C2)C1 1837458807 DJVVWINMTOWKKT-RDPSFJRHSA-N 481.509 -0.241 50 20 JBGD Cc1cc(C(=O)NCC(=O)N2CCO[C@]3(COCCN(C(=O)CCBr)C3)C2)no1 1837547232 WTUGKTUXPBLPRT-SFHVURJKSA-N 473.324 -0.046 50 20 JBGD O=C1Cc2cccc(C(=O)N3CCO[C@@]4(COCCN(C(=O)c5cccc(B(O)O)c5)C4)C3)c2N1 1839573156 NIGQSAUJAMZCGB-XMMPIXPASA-N 479.298 -0.755 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CC(c3ccccc3)=NN1)CCO2 1839635394 RGVIOYDUDHYFNR-RDGATRHJSA-N 492.341 -0.797 50 20 JBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cncc(S(C)(=O)=O)c3)C2)C1 1840151229 YFQOMSCRMDYGGP-QFBILLFUSA-N 475.951 -0.191 50 20 JBGD Cc1cn(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](F)Br)C3)C2)c(=O)nc1O 1840807947 AJZYMOHHNOXBDE-GUYCJALGSA-N 477.287 -0.596 50 20 JBGD COc1ccc(C(=O)NNC(=O)COC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)cc1OC 21853919 ALPPGAXSRXLPKV-UHFFFAOYSA-N 464.456 -0.494 50 20 JBGD CN[C@H](CC(=O)N1CCO[C@]2(CCN(C(=O)CN(C)NC(=O)NCc3ccccc3)C2)C1)C(=O)O 1780970529 XAWMYJDNWUIZLP-JPYJTQIMSA-N 490.561 -0.775 50 20 JBGD CC(C)(C)OC(=O)NCCOCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1781201230 ATACLLPVXGZFQS-HSZRJFAPSA-N 491.350 -0.649 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(=O)nc3cccnn13)C2 1782212099 HQUVHMBJIBXEFR-UZUQRXQVSA-N 485.545 -0.410 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccnc3C(N)=O)[C@H]2C1 1785519861 HWKMYVLKROEEEK-ZLIFDBKOSA-N 467.486 -0.914 50 20 JBGD COc1nccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)c1F 1786984715 ZVZXDLJANJNWAQ-WBAXXEDZSA-N 457.267 -0.184 50 20 JBGD COc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)c(O)c1 1786984790 JXPZOOBHTQDZSR-ZRCAFCQKSA-N 454.288 -0.012 50 20 JBGD Cc1cc(C(N)=O)cc(C)c1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1797732719 BLPOOZHGQGPVPE-RMFSNUHRSA-N 465.315 -0.401 50 20 JBGD C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN(C)NC(=O)NCc1ccccc1)n1ccnn1 1799097623 QSTVHXQQMJIFRD-RDPOXOKHSA-N 484.561 -0.225 50 20 JBGD O=C(/C=C\C(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1)NC1CC1 1807360529 KWLRXFOURGYIPR-AZKGVKDRSA-N 462.315 -0.084 50 20 JBGD C=CC(=O)N[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1810527174 NORPVWFEQHKOEC-YWMUFLPLSA-N 450.304 -0.228 50 20 JBGD CC(=O)N1CCN(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)CBr)CCO3)CC1 1830539975 LIOBXJRJLBWNBX-JXFKEZNVSA-N 489.411 -0.362 50 20 JBGD COC(=O)CSCC(=O)N1CCO[C@]2(COCCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C2)C1 1831442596 FAEDODISWZSSRJ-CPOKCXMASA-N 495.558 -0.517 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CC(=O)OC(C)(C)C)CCO2 1831995009 STGWXYQEYWUVLC-NRFANRHFSA-N 456.540 -0.452 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3nccn3)C2)C1 1832551896 UUNHWWVWIJICGF-MGPUTAFESA-N 486.957 -0.133 50 20 JBGD COc1ncccc1CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1833003061 MUOKNAGSIRNZEN-XMMPIXPASA-N 498.540 -0.209 50 20 JBGD CN(CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1)C(=O)OC(C)(C)C 1835210909 OXZDZUCRBWADQQ-QHCPKHFHSA-N 491.350 -0.697 50 20 JBGD C[C@H](NNc1ccccc1)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835934409 YYFSBNNVAGSUFY-UUOWRZLLSA-N 482.346 -0.558 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)c3cc4ncsc4[nH]3)C2)C1 1835938203 PYMVVIAGVDPLPY-NRFANRHFSA-N 470.316 -0.312 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)c3cc(O)ccc3F)C2)C1 1835939017 BWCLHQKYHAIKNH-JOCHJYFZSA-N 458.251 -0.405 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCC(OC2CCN(C(=O)c3cc(O)ncn3)CC2)CC1 1836939025 VNSCEJLUYOMDJV-UHFFFAOYSA-N 454.292 -0.212 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCC(OC2CCN(C(=O)c3cccc(=O)n3O)CC2)CC1 1837284009 SBXOUHNCRBZJQV-UHFFFAOYSA-N 469.303 -0.309 50 20 JBGD COc1cccc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)n1 1837457236 YRDZZDUGOYVEKL-XMMPIXPASA-N 498.540 -0.209 50 20 JBGD COC(=O)c1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)cn1 1837457904 VMMISIRBXSNZHC-HSZRJFAPSA-N 498.496 -0.750 50 20 JBGD CCc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)n(C)n1 1838042325 UNQURTQJPPELAX-QFIPXVFZSA-N 456.308 -0.954 50 20 JBGD O=C([C@H](F)Br)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCCS3(=O)=O)C2)C1 1839203101 ZUAZDBSNNRPEDW-TYNCELHUSA-N 457.318 -0.290 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc3ccnn13)CCO2 1839497853 LXNYRNRQPXZGFC-HSZRJFAPSA-N 464.287 -0.602 50 20 JBGD O=C(CCN1C(=O)c2ccccc2C1=O)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843013076 FXETYXVQBPALGC-UHFFFAOYSA-N 461.283 -0.130 50 20 JBGD Cn1c(=O)n(CC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c2ccccc21 14232052 AESLOQICHJNKOM-UHFFFAOYSA-N 473.511 -0.178 50 20 JBGD CNS(=O)(=O)c1ccc(S(=O)(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)cc1 906375930 XCIJMFDJPMKYNW-UHFFFAOYSA-N 490.585 -0.467 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(C1)CN(C(=O)c1cnn3ncccc13)CCO2 1779030045 FMRKFSFFYZRYLE-OAQYLSRUSA-N 450.459 -0.515 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)c3cn4ncccc4n3)CCO2)C1 1779032071 LHAQGYVZRFADHQ-OAQYLSRUSA-N 450.459 -0.515 50 20 JBGD CN(CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc(O)nn1)CCO2)NC(=O)NCc1ccccc1 1780969504 HPTGKKJZLIWJGR-HSZRJFAPSA-N 483.529 -0.028 50 20 JBGD CN(CC(=O)N1CCO[C@]2(CCN(C(=O)Cn3nccn3)C2)C1)NC(=O)NCc1ccccc1 1781420206 BOWFCDREMWSZRK-QFIPXVFZSA-N 470.534 -0.546 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc3c(c1)n(C)c(=O)n3C)CCO2 1783935117 PDANGOQISGWLSC-QHCPKHFHSA-N 472.546 -0.307 50 20 JBGD CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)[C@H](O)CCl)CCO2)C1 1785515149 JKJMAZVQFBQZOE-JZKQVHKSSA-N 477.942 -0.128 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/C(=O)NCc3ccco3)C[C@@H]21 1791291201 POUKTKRYNDEVHZ-ANHNSEMMSA-N 475.546 -0.195 50 20 JBGD CC(C)(C)OC(=O)N1[C@H]2C[C@@H](C[C@@H]2O)[C@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)CCl 1792982535 HLAAVIKLZPXLHO-CBSPKOPJSA-N 487.981 -0.066 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)[C@H]1CC(c2ccccc2)=NO1 1793279620 LWUOKNTZOAGGGW-GMQQQROESA-N 463.299 -0.237 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCNC1=N 1795580929 HQTPBRRFCRPRCW-HBCWATKFSA-N 474.474 -0.437 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCc3ccccc3[C@H]1O)C2)c1ccc(B(O)O)cc1 1795732762 HBLIKGFUQIMILM-NQDIBGKZSA-N 464.327 -0.134 50 20 JBGD O=C(CN1CCOC1=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1803335726 XQJOCJLKSINDIL-YLJYHZDGSA-N 452.276 -0.467 50 20 JBGD CC(=O)NC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807363382 DNFZXTLSEZTPOA-AZUAARDMSA-N 452.320 -0.004 50 20 JBGD O=C(CCN1C(=O)C=CC1=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827055517 ASUFZGLCWJXCOL-HXUWFJFHSA-N 467.331 -0.085 50 20 JBGD C[C@H](C(=O)NC1CCN(C2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1)[C@@H]1SC(=N)NC1=O 1835113054 AYLJDDKCDDVKBS-LIRRHRJNSA-N 495.650 -0.267 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)c3ncc(Cl)cn3)C2)C1 1835929460 PULAECZWILFUDY-FQEVSTJZSA-N 460.683 -0.806 50 20 JBGD O=C(c1ccc2nccnc2c1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835930529 LGSVFGWHDAULSB-XMMPIXPASA-N 476.298 -0.307 50 20 JBGD COc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)cc1OC 1835931404 QXDAMZIDWBXFQX-XMMPIXPASA-N 484.314 -0.233 50 20 JBGD COc1cc(F)ccc1CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835933627 DVUOIMRAISPSMO-DEOSSOPVSA-N 486.305 -0.173 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)c1ccn3nccc3c1)CCO2 1837157724 XRLZCYANJVLMRR-QHCPKHFHSA-N 464.287 -0.602 50 20 JBGD CCNC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C2)C1 1837380815 DXBICZRJBFCCDF-SGYJIEFDSA-N 491.549 -0.716 50 20 JBGD CCc1[nH]nc(C(=O)N2CCOC[C@]3(CN(C(=O)c4cnccc4C(=O)NN)CCO3)C2)c1F 1837456619 LJKCJIVOKSNKAJ-NRFANRHFSA-N 475.481 -0.507 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn4cccc(F)c34)C2)C1 1837460109 VNUNBMRSDGEDTP-HSZRJFAPSA-N 497.487 -0.144 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCC(=O)N3)C2)C1 1838528249 MQGHRBVBAIRSLH-VGSWGCGISA-N 490.469 -0.131 50 20 JBGD COc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)c([N+](=O)[O-])cc1O 1838601997 HRBVNWGAZHEGAL-DNVCBOLYSA-N 473.866 -0.021 50 20 JBGD CC[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCN(C)CC3)C2)C1 1839965354 WNFPGVIXWUNRRV-LPHOPBHVSA-N 461.401 -0.136 50 20 JBGD CC(=O)N1CCN(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)Br)CCO3)CC1 1840033346 AXONRRCRUPXKOH-KXBFYZLASA-N 475.384 -0.610 50 20 JBGD CN1CCC(CC(=O)N2CCOC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)CC1 1840182392 BTNVJPQCIWCMCV-QFIPXVFZSA-N 453.584 -0.452 50 20 JBGD COC(=O)c1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)c(C)c1 1840785501 FTXUQYWSGOKYRE-VWLOTQADSA-N 496.325 -0.155 50 20 JBGD O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 856530756 VHDMUMNFORWZAO-GOSISDBHSA-N 490.586 -0.488 50 20 JBGD COCCN1C(=O)/C(=C\NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)C(=O)NC1=S 920978051 RJPXVSYTTIKSLN-UVTDQMKNSA-N 469.545 -0.990 50 20 JBGD CC(=O)OC[C@H](OC(C)=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCC(=O)NN(C)C)C1 1782214092 CCDPKYHECUQQJK-NJNPRVFISA-N 484.550 -0.632 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)CS(C)(=O)=O)[C@H]2C1 1784516757 BUBUEBPUCAAQDA-BLSIWXNBSA-N 481.575 -0.219 50 20 JBGD O=C(CCn1c(=O)oc2ccccc21)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1785194311 IRFWPZOCYNDRKG-JLMWRMLUSA-N 493.325 -0.042 50 20 JBGD C[C@H](Nc1nccs1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1787485627 PDHMSUORSBKTNH-IKICRFKJSA-N 458.349 -0.083 50 20 JBGD COc1cc(N2CCC(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)[C@@H](O)CCl)C4)CC2)ncn1 1793132345 HZENDEASBGDNHC-RCJHGTSTSA-N 467.954 -0.109 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)[C@H]1CC(=O)N(Cc2cccs2)C1 1793973640 FMWAPJRSLMCARN-AYMMHLMVSA-N 497.382 -0.320 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN(CCO)CCO)C2 1798523216 XLTARNUHBRPLPX-VPTLXERWSA-N 494.501 -0.990 50 20 JBGD CC(C)n1nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)cc1C(=O)O 1833604788 IXBLZWKIAULUGQ-BEFAXECRSA-N 458.899 -0.168 50 20 JBGD NC[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1)c1ccccc1 1835935915 XFKKHWYTHIHKTA-QPPBQGQZSA-N 467.331 -0.821 50 20 JBGD O=C(c1ccn2nccc2c1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835938383 UFZVOCQPKVPQGA-HSZRJFAPSA-N 464.287 -0.602 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])o3)C2)C1 1837456185 KFQHJEWBDWLTTK-HXUWFJFHSA-N 474.430 -0.430 50 20 JBGD Cc1cc(/C=C/C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)no1 1837555267 IGPIDSZEJSTXDP-ZZTDINLMSA-N 470.486 -0.235 50 20 JBGD CSc1ncccc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1838284039 RAHWCIJCGKUVNE-QFIPXVFZSA-N 471.344 -0.133 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(O)cc1F)CCO2 1839315872 PSPQCMOSOLPVHS-JOCHJYFZSA-N 458.251 -0.405 50 20 JBGD O=C(CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 912638627 YWUAFROBHHHHCA-IRXDYDNUSA-N 478.527 -0.356 50 20 JBGD CN[C@@H](CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C(C)=N/NC(=O)c2ccc[nH]2)C1)C(=O)O 1778091490 SINLRAWLMWLAJM-AMSWIDODSA-N 476.534 -0.303 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)c3ccc(OCCCO)cc3)C2)C1 1780123149 SCFVQYQTJFTJQW-XMMPIXPASA-N 468.315 -0.115 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCS3(=O)=O)C2)C1 1782956265 JBHJNXBHMBBYLO-WVTHRUQGSA-N 465.532 -0.473 50 20 JBGD CCOC(=O)C1(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cnccc4C(=O)NN)C[C@@H]32)CC1 1790719805 VBGWKKFDBRNAAN-JQFCIGGWSA-N 459.503 -0.378 50 20 JBGD O=C1CN(c2cccc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)[C@H](O)CCl)C4)n2)CCCN1 1794504488 PLSIUYPMPDVZMY-QHHYFVSCSA-N 465.938 -0.789 50 20 JBGD COc1ncccc1CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795737259 LLBWOWLRNHCFFW-RMFSNUHRSA-N 453.304 -0.394 50 20 JBGD Cn1ncc(Br)c1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797750967 WXBYPYVZRGFQNV-QHBPRCKVSA-N 492.334 -0.302 50 20 JBGD CN(CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN1C(=O)CNC1=O)C2)NC(=O)NCc1ccccc1 1799865978 UJVCHOUBYPZKSD-BCDXTJNWSA-N 485.545 -0.477 50 20 JBGD Cc1cc(C(=O)NCC(=O)N2CC[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)no1 1807359793 DUQAQSVROSDVBL-AVRDEDQJSA-N 491.313 -0.193 50 20 JBGD O=C(NC[C@@H]1CCN(C(=O)c2cc(=O)nc3cccnn23)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807375306 NWVJCGVPXFPUEQ-MBSDFSHPSA-N 498.308 -0.202 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1CCN(C(=O)[C@@H]2CNC(=O)C2)[C@@H]1c1cccnc1 1810304581 FJKZJOOZASXZRH-YZVOILCLSA-N 451.487 -0.464 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCC([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827055389 YBJPJIYMNPHXQI-JOCHJYFZSA-N 464.136 -0.407 50 20 JBGD CN1CCN(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1828442444 ZBEODFSCIKDNIN-JOCHJYFZSA-N 456.396 -0.153 50 20 JBGD C[C@@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)CN3C(=O)CNC3=O)CCO2)C1 1832320143 HFRYSAIYGSOUPK-SJCJKPOMSA-N 461.313 -0.974 50 20 JBGD O=C(c1ccc2ncncc2c1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835930551 MSDRMGNJQKVSIV-XMMPIXPASA-N 476.298 -0.307 50 20 JBGD Cc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)cnc1C 1835934980 AEILYKAENJRMRZ-QHCPKHFHSA-N 453.304 -0.238 50 20 JBGD C[C@H]1CCc2c(C(=O)N3CCOC[C@@]4(CN(C(=O)c5cccc(B(O)O)c5)CCO4)C3)n[nH]c21 1835936910 JIXDTUUUCVYUDV-NPMXOYFQSA-N 468.319 -0.477 50 20 JBGD O=C(c1ccn2nccc2c1)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835938386 UFZVOCQPKVPQGA-QHCPKHFHSA-N 464.287 -0.602 50 20 JBGD CC(C)Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)n(C)n1 1836337271 VNTKXNBATMJSBJ-XMMPIXPASA-N 484.362 -0.318 50 20 JBGD CC(=O)N1CCN(CC(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)CCl)C3)C2)CC1 1836762603 VCKFEOQUPFESFZ-NRFANRHFSA-N 458.987 -0.128 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(F)nc3)CCO2)C1 1837846692 ZNWJGMFTYCEOLF-NRFANRHFSA-N 458.450 -0.397 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(O)c([N+](=O)[O-])c1)CCO2 1839273501 QEQRMGFKXWUCCG-JOCHJYFZSA-N 485.258 -0.636 50 20 JBGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)NC(=O)c3cnccn3)C2)C1 1840034036 YLBCHTXWPZJXSS-CKFHNAJUSA-N 484.351 -0.165 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1840183898 HFRDMTUEINUQDH-NRFANRHFSA-N 452.556 -0.902 50 20 JBGD Cc1ccc(C(=O)NCC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)cc1 1840903921 NMUIFFSFMLZJKG-UTKZUKDTSA-N 453.923 -0.219 50 20 JBGD COc1cc2c(cc1OC)[C@@H](CC(=O)NNC(=O)CCN1C(=O)CCC1=O)N(S(C)(=O)=O)CC2 726102488 JDYXHCMFIZRZTI-OAHLLOKOSA-N 496.542 -0.361 50 20 JBGD NS(=O)(=O)c1cc(C(=O)NNC(=O)CCCS(=O)(=O)N2CCCC2)ccc1Cl 917919108 LRCJMJUBUOJWSE-UHFFFAOYSA-N 452.942 -0.046 50 20 JBGD CN(C)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779028873 PEFREHONBXLCGC-QFIPXVFZSA-N 453.503 -0.097 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@]3(NC(=O)OC(C)(C)C)CCOC3)C2)C1 1781311781 MQRXRHBHYZPZAW-XZOQPEGZSA-N 497.593 -0.127 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CSCC(=O)O)C[C@@H]21 1787508056 AVQRNEOYRGZWEH-DVBSWERSSA-N 465.532 -0.082 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCN(C)CC3)C[C@@H]21 1787508876 YYAILTLBCBEKQB-RWRPXTCXSA-N 473.578 -0.653 50 20 JBGD CC(C)(C)n1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)nn1 1789354370 PEPSZNLCMTVNMO-IEZWGBDMSA-N 455.324 -0.380 50 20 JBGD CC(=O)N(C)CCC(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807362826 MHJCLPYIRAWEOL-UGKGYDQZSA-N 452.320 -0.051 50 20 JBGD CCNC(=O)N[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807374623 IKLHLJRAVOFJTJ-ZTNFWEORSA-N 467.335 -0.211 50 20 JBGD CN(C)NC(=O)CCC(=O)N[C@H]1CCc2nc(NC(=O)c3n[nH]c4c3CS(=O)(=O)C4)sc2C1 1815854392 OJGDOKWUKTYOCO-JTQLQIEISA-N 495.587 -0.107 50 20 JBGD O=C(/C=C\C(=O)NC1CC1)Nc1nc2c(s1)C[C@@H](NC(=O)c1cccc(B(O)O)c1)CC2 1819526216 SYORCHRWMMCBEB-CDNLZTBQSA-N 454.317 -0.117 50 20 JBGD COc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1830227699 UJKXVISJIHUQBJ-DEOSSOPVSA-N 484.314 -0.476 50 20 JBGD CCc1[nH]nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)c1F 1833739718 IXVNKKSBBAXKPM-HXUWFJFHSA-N 454.503 -0.446 50 20 JBGD O=C(O)c1cc(C(=O)NC2CCN(C3CCN(C(=O)c4cccc(B(O)O)c4)CC3)CC2)ncn1 1833967234 QDLFEYGLLYXANP-UHFFFAOYSA-N 481.318 -0.646 50 20 JBGD C[C@H](Cn1cncn1)C(=O)NC1CCN(C2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1 1835810654 VIMPDEVPIUEAQN-QGZVFWFLSA-N 462.599 -0.141 50 20 JBGD COc1ccsc1C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835938161 NVUPXGHCOLKANS-NRFANRHFSA-N 460.317 -0.180 50 20 JBGD CC(C)N1CCC(C(=O)N2CCOC[C@]3(CN(C(=O)c4cnccc4C(=O)NN)CCO3)C2)CC1 1837456939 SUXPDBZUYHBLIC-XMMPIXPASA-N 488.589 -0.125 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)CCN3CCCCC3)C2)C1 1837457490 FAUPAAWJUVZBAN-HSZRJFAPSA-N 474.562 -0.369 50 20 JBGD C[C@](Cl)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1839153671 OAFCYAIOIZYAHN-OALUTQOASA-N 474.345 -0.009 50 20 JBGD CC[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1839965083 MKCWVYLVDGLOML-HNAYVOBHSA-N 484.351 -0.071 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)CCNC(=O)c3ccccc3)C2)C1 1840186639 BWWBVOSPFBESLH-DEOSSOPVSA-N 489.573 -0.364 50 20 JBGD Cc1cn(CC(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)CCl)C3)C2)c(=O)nc1O 1840806346 VGJVKCQCWFOKDX-FQEVSTJZSA-N 456.927 -0.021 50 20 JBGD CC(C)(C)OC(=O)N1CC(=O)C[C@H]1C(=O)N1CCCC12CN(C(=O)c1cccc(B(O)O)c1)C2 1841433243 FCZXCEGNJFVZSL-SFHVURJKSA-N 471.319 -0.238 50 20 JBGD CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)N1CCCC12CN(C(=O)c1cccc(B(O)O)c1)C2 1843104277 KNZGVTOSYSFTPO-ROUUACIJSA-N 473.335 -0.446 50 20 JBGD CCOC(=O)C1CCN(C(=O)CN(C)C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)CC1 728945174 UMSAUFKPSHCYDR-UHFFFAOYSA-N 458.479 -0.250 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)c3cc(-c4cccnc4)[nH]n3)C2)C1 1779609124 VSZZFFBFHMSVLP-QHCPKHFHSA-N 461.287 -0.091 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)Cc1cn3c(nc1=O)SCC3)CCO2 1783934201 AFDNDDLSQPRXKD-OAQYLSRUSA-N 478.575 -0.906 50 20 JBGD COC(=O)[C@H]1CC[C@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)CC1 1786980129 MHWKVXGNHJUZQW-OEUJLIAZSA-N 472.347 -0.061 50 20 JBGD Cc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)nc2nccn12 1790408554 OSMWPHVMRQLUAM-QRFRQXIXSA-N 463.303 -0.375 50 20 JBGD Cc1ccc(C(=O)NCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)cc1 1795740756 FZOCXYFKSAJNQA-HATOLVCRSA-N 465.315 -0.692 50 20 JBGD CN(CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1cnnn1)NC(=O)NCc1ccccc1 1796297694 KCHLHIQZPYWOAD-BCDXTJNWSA-N 455.523 -0.343 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCN(C)CC1 1797236834 XMOFNOCQBZHKNQ-FAQVEIGNSA-N 489.529 -0.029 50 20 JBGD CC(=O)N1CCN(CC(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc(B(O)O)c3)[nH]n2)CC1 1818965559 NHKNJOYZYZPLPH-FQEVSTJZSA-N 482.350 -0.441 50 20 JBGD CCOC(=O)N[C@@H](O)C(=O)N[C@@H]1CCc2nc(NC(=O)CCC(=O)NN(C)C)sc2C1 1826087811 LQYLELLSTHROOQ-HWPZZCPQSA-N 456.525 -0.507 50 20 JBGD CCOC(=O)N[C@@H](O)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cnccc2C(=O)NN)CC1 1828761735 OHLPVJSRKITQEZ-MJGOQNOKSA-N 476.534 -0.017 50 20 JBGD N#Cc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)cc1 1829902366 OGIIWBILSAFBNN-DEOSSOPVSA-N 463.299 -0.449 50 20 JBGD C[C@@H](C(=O)NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1)n1ccccc1=O 1835826551 VPEPIDIEQRBEIH-SFHVURJKSA-N 480.374 -0.026 50 20 JBGD COc1ccc([C@@H](O)C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)cc1 1835926483 ORXKGMCMEYOZQY-ZJSXRUAMSA-N 484.314 -0.821 50 20 JBGD CC(=O)O[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1)C(C)C 1837224416 PFVLKQVGJLYUHM-TZIWHRDSSA-N 456.540 -0.597 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4[nH]ccc4n3)C2)C1 1837459448 PKBXDQJGOQNKEZ-QHCPKHFHSA-N 479.497 -0.055 50 20 JBGD CCCC(=O)N[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1837674870 OPXPRGCCMWTSRK-OYHNWAKOSA-N 476.534 -0.940 50 20 JBGD O=C(c1n[nH]cc1I)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1837963589 QWZDIPMIJUCVCA-IAQYHMDHSA-N 498.705 -0.316 50 20 JBGD CCNC(=S)NCC(=O)N1CCO[C@@]2(COCCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C2)C1 1839654341 LXCZRECKQWCPPD-XAOCGEIJSA-N 493.590 -0.939 50 20 JBGD CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](C)Br)CCO2)C1 1840036038 CKENMKGKJMBLAK-NRXGSXMXSA-N 486.367 -0.303 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(C(=O)N(C)C)c3)C2)C1 1840187383 WQHBTZJPBGTNSX-DEOSSOPVSA-N 489.573 -0.169 50 20 JBGD CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843011019 GBLAYONLPJQHCO-ROUUACIJSA-N 473.335 -0.446 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CCCC12CN(C(=O)C[C@@H]1NC(=O)NC1=O)C2 1844692161 OJSIRZJKBWRTNL-AWEZNQCLSA-N 459.415 -0.065 50 20 JBGD Cc1nc2n(n1)C[C@@H](NC(=O)NNC(=O)c1cccc(S(=O)(=O)N3CCOCC3)c1)CC2 727229068 MAGUKZLZVPDRAI-HNNXBMFYSA-N 463.520 -0.434 50 20 JBGD COc1ccc(C(=O)NNC(=O)COC(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)cc1OC 914652569 FWPRZTIIJPOJCI-UONOGXRCSA-N 483.499 -0.956 50 20 JBGD CNC(=O)COc1ccc(C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1OC 919738119 REZBWWHPBKFNIJ-SFHVURJKSA-N 473.438 -0.036 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)c3ccc4nc(CO)[nH]c4c3)C2)C1 1777705268 XXNOFGBBBUGPEP-HSZRJFAPSA-N 464.287 -0.508 50 20 JBGD O=C(c1nc2c(=O)[nH]c3ccccc3n2n1)N1CC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1778053211 KUERXKXGKRIXBV-JLTOFOAXSA-N 460.878 -0.386 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccnc1C(N)=O)C2 1779371050 KJZKQOPJFYQBST-UZUQRXQVSA-N 481.513 -0.380 50 20 JBGD COC(=O)[C@@H]1CC=CC[C@H]1C(=O)N1CC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1783851369 OYPBXTFANPKMJS-SEPYTNNBSA-N 471.514 -0.116 50 20 JBGD CSCC[C@@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1 1788609768 IPZHRYUASOHPQY-SJWGOKEGSA-N 451.549 -0.608 50 20 JBGD C[C@@H](Nc1cnccn1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1788626412 TZGKDWAECBDSLR-XIVBQZFQSA-N 453.308 -0.750 50 20 JBGD CN1CC(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CN(C)NC(=O)NCc4ccccc4)[C@H]3C2)C1 1789727699 MGDARENKRUNKIA-JBACZVJFSA-N 472.590 -0.126 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccn2c(O)nnc12 1796287449 TWZGIGVUYNJXNN-LVTGYEAHSA-N 480.485 -0.228 50 20 JBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCNC(=O)c1ccccc1)C2 1801014330 MKFDLSUGEIVASX-OPMZPASUSA-N 459.547 -0.231 50 20 JBGD COC(=O)CSCC(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1803575634 OYLVOPZHZFIWPL-DYESRHJHSA-N 471.344 -0.013 50 20 JBGD C[C@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3C(=O)CNC3=O)C2)C1 1830535393 NJFHKPZSPHWKCS-SJKOYZFVSA-N 461.313 -0.974 50 20 JBGD C[C@@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCN(C)CC3)C2)C1 1830539910 KKJFSBJKTKGJRC-QFBILLFUSA-N 461.401 -0.279 50 20 JBGD O=C1CC[C@H](C(=O)N2CCC(N3CCC(NC(=O)c4ccc(B(O)O)cc4)CC3)CC2)CN1 1834798155 XHFVQNXYIIVYCQ-KRWDZBQOSA-N 456.352 -0.922 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC1CCN(C2CCN(C(=O)Cn3cncn3)CC2)CC1 1835736723 FGBRFJPBHWGEJT-UHFFFAOYSA-N 455.523 -0.838 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)c3cc4cccn4cn3)C2)C1 1835930591 OBQUZJHAMWMQEO-QHCPKHFHSA-N 464.287 -0.602 50 20 JBGD C[C@H](CS(C)(=O)=O)C(=O)N1CCC(OC2CCN(C(=O)c3cnccc3C(=O)NN)CC2)CC1 1836876995 OWWAFGYXAVSPOW-OAHLLOKOSA-N 495.602 -0.022 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1c[nH]nc1C)CCO2 1838680301 QNNVSJJAZDGYHL-JAMLUQCHSA-N 457.491 -0.078 50 20 JBGD CN(CC(=O)N1CCO[C@@]2(COCCN(C(=O)CC#N)C2)C1)NC(=O)NCc1ccccc1 1839054068 FQTVMVKEZHXOOF-JOCHJYFZSA-N 458.519 -0.297 50 20 JBGD C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)CCBr)C2)C1)N1CCN(C)CC1 1839101644 NOZDOPMWCXBWAA-VQIMIIECSA-N 461.401 -0.136 50 20 JBGD O=C(Cc1ccccc1O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1839907509 AWVAQLJGIKHBAJ-QHCPKHFHSA-N 454.288 -0.615 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)C3(Br)CC3)C2)C1 1840184941 GIIJXBUTGHFZKJ-QGZVFWFLSA-N 461.357 -0.257 50 20 JBGD CCOC(=O)c1ncn2c1CC[C@H](C(=O)N1CC3(CCCN3C(=O)c3cccc(B(O)O)c3)C1)C2 1843014989 WMLNDBRLGDHDLZ-KRWDZBQOSA-N 480.330 -0.181 50 20 JBGD COC(=O)/C=C/c1cc(OC)c(OC)c(S(=O)(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)c1 921021536 UYGUVGAWTVLKTD-ITKZLYELSA-N 462.502 -0.366 50 20 JBGD COc1nccc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)c1F 1779030249 LUNGKMOLOQJDPK-OAQYLSRUSA-N 458.450 -0.015 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@]2(CCN(C(=O)COc3ccc(O)nn3)C2)C1 1782674252 DGCDGXVPGRPHQY-VSIOZEBNSA-N 471.474 -0.475 50 20 JBGD COC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)C[C@@H]21 1791253494 BOTKVOVIGCOBJC-QAETUUGQSA-N 466.000 -0.109 50 20 JBGD N#Cc1ccc2[nH]nc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)c3ccc(B(O)O)cc3)c2c1 1795735764 DPMWIDZJOVMPSE-CWPLJXCYSA-N 459.271 -0.369 50 20 JBGD CC(C)(C)OC(=O)N1CC[C@H]2C[C@]21C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1800772011 HAZZQEMKVIRGEZ-QRSWUFQOSA-N 499.373 -0.031 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)[C@H](O)c1ccccc1Cl 1801198594 JHJWZWJDKFCGBS-HRYATBACSA-N 458.707 -0.043 50 20 JBGD CN1CCN(CC(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2ccc(B(O)O)cc2)CC3)CC1 1818798329 HNDSYLXECJSQQS-INIZCTEOSA-N 457.365 -0.704 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)CN2C(=O)CNC2=O)CC1 1828923702 UVTJLRYDXUKWJY-KRWDZBQOSA-N 471.518 -0.530 50 20 JBGD C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C2)C1 1831392672 GFGRZSLWLJXSMM-KTUMRIBQSA-N 459.503 -0.385 50 20 JBGD Cc1nn2cc(CC(=O)N3CCO[C@@]4(COCCN(C(=O)c5cccc(B(O)O)c5)C4)C3)nc2s1 1832104273 PURFUPJQDMULQG-QFIPXVFZSA-N 499.358 -0.908 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(CN(C(=O)C3=NN(C)C(=O)CC3)CCO2)C1 1832375003 NZEIRUUOWYGZBL-NMWDDECMSA-N 487.517 -0.815 50 20 JBGD CC(C)(C)n1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)n1 1833585955 ZHIYELTXCJXBQV-QHCPKHFHSA-N 470.335 -0.298 50 20 JBGD CO[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1)c1ccccc1 1835929179 FLZOMNSIJHPDFX-XUZZJYLKSA-N 468.315 -0.176 50 20 JBGD N#Cc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)cc1 1835934428 ZQCGLTUTSOJSDT-XMMPIXPASA-N 463.299 -0.449 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc4c(c3)OCO4)C2)C1 1837457433 AYDNDRISICRUAT-XMMPIXPASA-N 497.508 -0.274 50 20 JBGD O=C(OCCO)c1ccccc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1838567648 HYVOSKNNEXKZBU-DYESRHJHSA-N 470.906 -0.495 50 20 JBGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc4ncnn4c3)CCO2)C1 1839049833 YQJHSRNQNIYIHL-JXFKEZNVSA-N 451.911 -0.018 50 20 JBGD C[C@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)CN(C)NC(=O)NCc3ccccc3)CCO2)C1 1839054100 GYZNWUXWMLKDPB-HTAPYJJXSA-N 463.535 -0.830 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)O)CCO2 1840025841 QYYNXOZJYGMEPQ-ZUOKHONESA-N 451.432 -0.029 50 20 JBGD COc1nc(C)ccc1C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840184825 BILAYZCAESDOKC-QFIPXVFZSA-N 463.535 -0.158 50 20 JBGD CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCO[C@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1 1840371668 WQXWSNYXCAGYFO-NQIIRXRSSA-N 481.626 -0.235 50 20 JBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)cc1 726278644 XBGFICZPEPAYOU-SFHVURJKSA-N 482.607 -0.111 50 20 JBGD COCCn1cnc2c1c(=O)n(CC(=O)NNC(=O)c1cc[nH]n1)c(=O)n2Cc1ccccc1 916148200 ZNIPGADOZSKHNL-UHFFFAOYSA-N 466.458 -0.761 50 20 JBGD O=C(NCCC(=O)N1CCOCC1)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 916251504 WVILRBBAIACMBX-UHFFFAOYSA-N 453.521 -0.336 50 20 JBGD C[C@H]1CN(CCC(=O)NNC(=O)CNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)C[C@H](C)O1 916557670 MRCRJXVSGOZNRL-GJZGRUSLSA-N 469.564 -0.687 50 20 JBGD Cc1cnc2c(C(=O)N3CCO[C@@]4(CCN(C(=O)c5cnccc5C(=O)NN)C4)C3)cnn2c1 1779032622 VSAJMHOIIBDLII-JOCHJYFZSA-N 464.486 -0.206 50 20 JBGD Cc1ccc(C(=O)NCC(=O)N2CC[C@@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)cc1 1785559030 CVVMEJLTZWONAB-XMMPIXPASA-N 465.315 -0.452 50 20 JBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(=O)nc3sccn13)C2 1797751900 XYWZVLBMHFPWRK-DPIQGUFMSA-N 483.510 -0.729 50 20 JBGD COc1ccccc1C(=O)N1CC(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)C1 1830719253 AZYPTKOBUBOPFQ-WZONZLPQSA-N 495.960 -0.177 50 20 JBGD CS(=O)(=O)Cc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)cn1 1830722558 DDYHRZBTYMFUTP-APWZRJJASA-N 475.951 -0.704 50 20 JBGD CSCC[C@@H](O)C(=O)N1CCC(N2CCC(NC(=O)c3cnccc3C(=O)NN)CC2)CC1 1835738222 MQANUBLIBMSUEK-LJQANCHMSA-N 478.619 -0.016 50 20 JBGD NC[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1)c1ccccc1 1835811628 JSXHNWUHMIIQFU-QPPBQGQZSA-N 467.331 -0.821 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)c3ccccc3Cl)C2)C1 1835940003 RVSFLSOQHUUAQP-OFNKIYASSA-N 488.733 -0.177 50 20 JBGD N#CCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)cc1 1839362084 WSZOTDYKQYIBLX-DEOSSOPVSA-N 463.299 -0.184 50 20 JBGD O=C(CCBr)N1CCOC[C@]2(C1)CN(C(=O)COc1ccc(O)nn1)CCO2 1839668733 LWVKKBPGQQLAOX-KRWDZBQOSA-N 459.297 -0.198 50 20 JBGD C[C@@H](C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)Br)CCO2)N1CCN(C)CC1 1840034788 XJTMGBICBHQBOK-GJYPPUQNSA-N 461.401 -0.138 50 20 JBGD COC(=O)CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1840236341 JWASRORULPJNQQ-QFIPXVFZSA-N 470.567 -0.061 50 20 JBGD Cc1cn(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@](C)(Cl)CCl)C3)C2)c(=O)nc1O 1840808377 VBQDQJRROUSYEL-OALUTQOASA-N 477.345 -0.050 50 20 JBGD O=C(CNC(=O)c1cccs1)NNS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 751280729 UNOHQVZROMNZRP-UHFFFAOYSA-N 488.569 -0.492 50 20 JBGD COc1cc2c(cc1OC)[C@@H](CC(=O)NNC(=O)NCCCn1cncn1)N(S(C)(=O)=O)CC2 916376096 AYPOWKXFAORVMD-MRXNPFEDSA-N 495.562 -0.035 50 20 JBGD CC(C)CN1C(=O)/C(=C/NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)C(=O)NC1=S 920976511 VZWQGJZMSDQIHH-LFIBNONCSA-N 495.583 -0.275 50 20 JBGD Cc1cc2nnc(C(=O)N3CC[C@]4(CN(C(=O)CCC(=O)NN(C)C)CCO4)C3)c(C)n2n1 1777784084 JTKDTFCXILDWSA-NRFANRHFSA-N 458.523 -0.442 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)C(=O)Nc3cccnc3)CCO2)C1 1779032392 QBQWEZYLPONDEA-NRFANRHFSA-N 453.459 -0.838 50 20 JBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](F)Br)C2)[C@@H](O)N1CCOCC1 1779415402 JCFKYYYCSMCETP-DLTLXFJOSA-N 452.321 -0.159 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@]2(CN(C(=O)CN(C)C(=O)C(=O)O)CCO2)C1 1780098865 XAGJLLMTFOXVOL-OAQYLSRUSA-N 492.441 -0.493 50 20 JBGD CC(=O)N[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)CN(C)NC(=O)NCc3ccccc3)C2)C1 1780968726 PGTOMJRLOXOYGX-SBUREZEXSA-N 474.562 -0.313 50 20 JBGD C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](Cc1ccc(B(O)O)cc1)NC(=O)OC(C)(C)C)CCO2 1783049348 UZAHHDULLMKAGR-CYFREDJKSA-N 485.346 -0.735 50 20 JBGD Cn1c(=O)n(C)c2cc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)c3ccc(B(O)O)cc3)ccc21 1795734144 FXRPIESNDXJVCV-UPHUGPLXSA-N 478.314 -0.926 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@H]1CCN(C(=O)CN(C)C(=O)C(=O)O)[C@H]1c1cccnc1 1808416438 NOXXAJBAMDSCKP-VQMZYRHSSA-N 497.512 -0.236 50 20 JBGD O=C(O)CSCC(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1813084340 AXPBKTPMXYVUGD-UZLBHIALSA-N 457.317 -0.101 50 20 JBGD CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)NC[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1 1813337854 JZRKTRGGFOAWDP-NOXFTYBFSA-N 498.588 -0.069 50 20 JBGD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1)c1n[nH]c2c1CS(=O)(=O)C2 1817682288 GHDRHAUXUAGZCY-QGZVFWFLSA-N 498.330 -0.139 50 20 JBGD COC[C@@H](Cl)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@@H](N)CN)C2)C1 1829341200 YGNBKMNOUWEYJR-KGVIQGDOSA-N 481.981 -0.022 50 20 JBGD CCC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCS(=O)(=O)CC3)CCO2)C1 1832483882 TVSQONAGQRIBRO-VQIMIIECSA-N 466.000 -0.419 50 20 JBGD Cn1c(=O)c2c(ncn2CC(=O)NC2CCN(C3CCN(C(=O)[C@@H](F)Cl)CC3)CC2)n(C)c1=O 1833776616 HCGSFTHBLNWGIE-QGZVFWFLSA-N 497.959 -0.460 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CNc3ccccc31)CCO2 1835716574 YKEOCVUYZZSQTN-RDPSFJRHSA-N 465.315 -0.354 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)c3ccc(F)nc3F)C2)C1 1835926168 HWDKANKGGWAJQU-OAQYLSRUSA-N 461.230 -0.577 50 20 JBGD CCc1[nH]nc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)c1F 1835929621 YVMXPQUDBXWOQG-OAQYLSRUSA-N 460.271 -0.825 50 20 JBGD Cc1cc(C(N)=O)cc(C)c1C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835930510 KWKVJNMVIDORAN-VWLOTQADSA-N 495.341 -0.534 50 20 JBGD CC(=O)N1CCN(CC(=O)N2CCO[C@@]3(COCCN(C(=O)C(Cl)Cl)C3)C2)CC1 1836770014 XEEQUZMSKCTRHY-SFHVURJKSA-N 451.351 -0.589 50 20 JBGD CC(=O)OC[C@H](OC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1837499943 SKLZQDBDGJHMGM-JJRVBVJISA-N 483.287 -0.372 50 20 JBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(CS(C)(=O)=O)nc3)C2)C1 1840151645 JOMPGDJZUHHYRN-FXAWDEMLSA-N 489.978 -0.050 50 20 JBGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)c3cc(C)on3)C2)C1 1840153513 QNMRGUQYSBVGGH-AUUYWEPGSA-N 458.899 -0.577 50 20 JBGD COc1ccc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)CCC(=O)NN(C)C)CCO3)cn1 1840182763 TUPZGYPBQWDWEX-QHCPKHFHSA-N 477.562 -0.148 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3Cc4ccccc4CN3)C2)C1 1840183829 CEUWBWGOCCDHRN-HYBUGGRVSA-N 473.574 -0.470 50 20 JBGD Cc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)nc2nccn12 1840185747 WQAOSRAPEJWRET-JOCHJYFZSA-N 473.534 -0.519 50 20 JBGD Cc1csc(CC(=O)NNC(=O)COC(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)n1 728722321 FBKTZKWPJMXUHE-UHFFFAOYSA-N 495.539 -0.881 50 20 JBGD COC(OC)C(=O)N1CCO[C@]2(CCN(C(=O)CN(C)NC(=O)NCc3ccccc3)C2)C1 1780970423 XZARWTGNUOGPLB-QFIPXVFZSA-N 463.535 -0.219 50 20 JBGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3CSCN3C(=O)[C@@H]3CCC(=O)N3)C2)C1 1782873156 HRAXELKFCSRTHK-IGMJJTELSA-N 488.994 -0.750 50 20 JBGD CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N2CC[C@]3(CN(C(=O)[C@@H](O)CCl)CCO3)C2)C1 1784007315 PGZZJXKWBRAOIU-PNHOKKKMSA-N 461.943 -0.212 50 20 JBGD COCCOCCOCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21 1791136218 WYXYBWRTAUWJIM-FHWLQOOXSA-N 472.583 -0.591 50 20 JBGD COc1cc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)cc(OC)c1OC 1795732779 IXYQTIJASFCCGD-FEJSZKPUSA-N 498.341 -0.162 50 20 JBGD COc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)c(O)c1OC 1795736298 WXZURXZUSFJFDT-CCWDJLKJSA-N 470.287 -0.394 50 20 JBGD Cn1c(=O)c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)nc2ccccc21 1795738707 CBSWDBCLCPVSKI-CWPLJXCYSA-N 476.298 -0.870 50 20 JBGD COC(=O)C12CC(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)c3cnccc3C(=O)NN)(C1)C2 1797753902 LAKRWNHCBZSARX-YOBNMJBOSA-N 457.487 -0.768 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1nc(O)n2c1CCCC2 1797984113 BIECQSSPASHEPH-JLVBRIDZSA-N 454.292 -0.878 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1cc2cccnc2nc1O 1799922153 RMQRZQAWTKPOSV-HGKCTWBKSA-N 462.271 -0.468 50 20 JBGD O=C(CN1C(=O)C=CC1=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1813172002 HXLZHMJRKMQYFI-VGOFRKELSA-N 462.271 -0.994 50 20 JBGD CS(=O)(=O)c1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)cc1 1830723458 NZROLWDZHALGHB-PXNSSMCTSA-N 474.963 -0.311 50 20 JBGD CC1CCN(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)CC1 1831107506 JUDOGWWEWPIOJX-JOCHJYFZSA-N 453.584 -0.452 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CN1CCc3sccc3C1)CCO2 1832590591 HWJNMMLUOMNIIM-HSZRJFAPSA-N 493.630 -0.064 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnnn1C)CCO2 1833230962 MYYQXTJVBLFGQD-BTVXTAIASA-N 458.479 -0.981 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)c3nc(Cl)ccc3F)C2)C1 1835927601 UXRIYJVMIWOVDJ-OAQYLSRUSA-N 477.685 -0.062 50 20 JBGD O=C(CCc1c[nH]c2ncccc12)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835933520 AZJDRRXWTVLEII-RUZDIDTESA-N 492.341 -0.055 50 20 JBGD CC(=O)Nc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)cc1 1835933659 FWJJODBUGOKSJF-XMMPIXPASA-N 481.314 -0.291 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CC(c4ccccc4)=NO3)C2)C1 1835933764 CKXQHDJQBOYYQP-DHLKQENFSA-N 493.325 -0.370 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnc(C(F)(F)F)cn1)CCO2 1836377720 KLTHKGJRKAKIKZ-LJQANCHMSA-N 488.467 -0.062 50 20 JBGD COc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)ccn1 1837459107 IWJFXXOLMGBZND-JOCHJYFZSA-N 470.486 -0.528 50 20 JBGD COC[C@@H](NC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCBr)C2)C1 1837729740 KSUQQEVSOUODKI-RHSMWYFYSA-N 450.330 -0.621 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)c1cnc3snnc3c1)CCO2 1838509879 LLOXFGWFFKARGO-NRFANRHFSA-N 483.315 -0.850 50 20 JBGD Cc1cccc(C)c1NC(=O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1839157500 RPXLFOPSTQNLCV-VWLOTQADSA-N 495.341 -0.308 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](Cc1ccc(B(O)O)cc1)C(=O)N1CC2(CCCN2C(=O)c2ncon2)C1 1844592567 UMYHRHDHDQYUKG-KRWDZBQOSA-N 499.333 -0.298 50 20 JBGD O=C(OCCO)c1ccccc1C(=O)N1CCCC12CN(C(=O)c1ccc(B(O)O)cc1)C2 1844718868 ZMJAHHXJKQRAOJ-UHFFFAOYSA-N 452.272 -0.354 50 20 JBGD CN(C)N(C(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1)[C@@H]1CCS(=O)(=O)C1 728178097 BLXCNADMXJBKNZ-CYBMUJFWSA-N 451.592 -0.196 50 20 JBGD O=C(CNC(=O)c1ccco1)NNS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 751282990 SAVZBCHEBTZAFV-UHFFFAOYSA-N 472.501 -0.960 50 20 JBGD COCCN1C(=O)c2ccc(C(=O)NNC(=O)c3csc(N4CCOCC4)n3)cc2S1(=O)=O 916746362 OARRBVWOBOEPOE-UHFFFAOYSA-N 495.539 -0.155 50 20 JBGD Cn1ccc2c(O)ncc(C(=O)N3CC[C@@]4(CN(C(=O)c5cccc(B(O)O)c5)CCO4)C3)c21 1779975709 NBEAOJWZGAOVOW-QHCPKHFHSA-N 464.287 -0.284 50 20 JBGD CNC(=O)CC(=O)N1CCO[C@@]2(CCN(C(=O)CN(C)NC(=O)NCc3ccccc3)C2)C1 1780970181 UEWAXRLBVLXVCL-JOCHJYFZSA-N 460.535 -0.701 50 20 JBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C2)C1 1785609161 QWUXXAIFWDLMQG-YRVVQQKDSA-N 476.958 -0.161 50 20 JBGD O=C(/C=N/O[C@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1788658172 LZCRRNFICLLRIE-NWYPOARBSA-N 459.308 -0.511 50 20 JBGD COC(=O)c1ccccc1CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1793092352 MXWADRSQGMKRSH-BBIADKPPSA-N 480.326 -0.011 50 20 JBGD O=C1CCc2ccc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)c3cccc(B(O)O)c3)C4)nc2N1 1796104048 UJBBBTDGKSIOSY-CWPLJXCYSA-N 464.287 -0.837 50 20 JBGD CC(C)n1nc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)cc1C(=O)O 1797749801 VBZQKKANLLFEAI-IVWMJMPLSA-N 485.501 -0.322 50 20 JBGD COc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)ccc1O 1797753206 XOLMDCYWXQICRW-HBCWATKFSA-N 455.471 -0.084 50 20 JBGD CCOC(=O)N1CCC(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)CC1 1797753969 GKAXOXBLRINALS-HGKCTWBKSA-N 488.545 -0.243 50 20 JBGD CN(CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CC[C@H](N)C(N)=O)C2)NC(=O)NCc1ccccc1 1799864705 JNGJVWPPHUOSIB-RDGPPVDQSA-N 473.578 -0.436 50 20 JBGD CC(C)(C)OC(=O)N[C@H](O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnccc1C(=O)NN)C2 1800596538 GUNODPHOEFGZRA-SJBDTSRBSA-N 462.507 -0.220 50 20 JBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1sc3nccnc3c1N)C2 1801013425 VVFIYXRFTNSXSN-DRXBFXEBSA-N 461.548 -0.150 50 20 JBGD O=C(O)CSCC(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807366928 IIIVOVPPCRHKDG-OXQOHEQNSA-N 457.317 -0.101 50 20 JBGD CC(C)CNC(=O)C(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807373846 CPCDAHOIVJFRIY-QUCCMNQESA-N 452.320 -0.147 50 20 JBGD COC[C@H](NC(C)=O)C(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1810559777 ODYXFBFMNIGVIB-HLAWJBBLSA-N 468.319 -0.768 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)CN2CCS(=O)(=O)CC2)n[nH]1 1815672841 HINRFTCSRHMIDT-INIZCTEOSA-N 483.595 -0.495 50 20 JBGD CN(C)NC(=O)CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1822414604 WUJBITDKVJFLMW-QGZVFWFLSA-N 456.312 -0.232 50 20 JBGD O=C([C@H](O)CCl)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@@H]3C[C@H](O)CN3)C2)C1 1828551081 HZYURENDTSJYPM-XWQURZDVSA-N 494.976 -0.239 50 20 JBGD O=C(O)c1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](F)Br)C3)C2)ncn1 1833497796 RPNIAABXKZQQRK-LRDDRELGSA-N 461.244 -0.065 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1)c1n[nH]cc1[N+](=O)[O-] 1835866554 IGCUEJWBOXQGHJ-UHFFFAOYSA-N 470.295 -0.503 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)c3cc(F)cnc3Cl)C2)C1 1835938103 LCSOWMYIJFQIKU-NRFANRHFSA-N 477.685 -0.062 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CCOC[C@@]2(CN(C(=O)C3=NNC(=O)C3)CCO2)C1 1837364516 SUDDBKBJHZGGEO-NRFANRHFSA-N 489.441 -0.534 50 20 JBGD CC(=O)Nc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)ccn1 1837458836 FGFHVJIDXIJBRH-HSZRJFAPSA-N 497.512 -0.578 50 20 JBGD CN(CC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cc[nH]n3)C2)C1)NC(=O)NCc1ccccc1 1839054396 WULDTLLMGCYHHH-DEOSSOPVSA-N 499.572 -0.245 50 20 JBGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@@](C)(O)CC(=O)O)C2)C1 1840036774 QZFCYTHRUZQMAH-JCURWCKSSA-N 451.314 -0.158 50 20 JBGD CCC(=O)C(=O)N1CC2(CCCN2C(=O)[C@H](Cc2ccc(B(O)O)cc2)NC(=O)OC(C)(C)C)C1 1843428832 SWVWUKGJCHIHSZ-SFHVURJKSA-N 487.362 -0.015 50 20 JBGD CCn1cnc2c1c(=O)n(CC(=O)NNC(=O)c1cccn(C)c1=O)c(=O)n2Cc1ccccc1 729260060 MBJDBMISMPSGDG-UHFFFAOYSA-N 477.481 -0.412 50 20 JBGD O=C(CNS(=O)(=O)c1ccc(Br)s1)NNC(=O)N[C@H]1CCS(=O)(=O)C1 749848668 XSQKKNVCGYUMDZ-ZETCQYMHSA-N 475.368 -0.694 50 20 JBGD CCN(CC)S(=O)(=O)c1ccc(N2C[C@H](C(=O)NNC(=O)CN3CCCC3=O)CC2=O)cc1 789857112 PJONSODUIJWCHM-OAHLLOKOSA-N 479.559 -0.160 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)c3cn4cccnc4n3)CCO2)C1 1779032600 VMVOVIJOAMNUBE-OAQYLSRUSA-N 450.459 -0.515 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3COc4ccccc4O3)C[C@@H]21)c1ccc(B(O)O)cc1 1786980216 WPCIGDVFCRVYCE-DBXVSBKESA-N 466.299 -0.200 50 20 JBGD C[C@@H](Nc1ccccn1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786984220 REWJUMOUNMXKNE-LQJIQPLVSA-N 452.320 -0.145 50 20 JBGD COC(=O)C12CC(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)c5cnccc5C(=O)NN)[C@H]4C3)(C1)C2 1788610045 YNGYFSLLVXYMMO-QZHBBCCASA-N 471.514 -0.378 50 20 JBGD COC[C@@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C[C@@H]21 1791258417 OBMHNFXALSJUEU-QMHWVQJVSA-N 490.985 -0.011 50 20 JBGD CC(=O)N/C(=C\c1ccco1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797754257 ZTOMPFNHQUURTQ-VJBPLNIYSA-N 482.497 -0.342 50 20 JBGD CC[C@H](NC(C)=O)C(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1802544214 JSKZHYKYLQEQPU-HLAWJBBLSA-N 452.320 -0.004 50 20 JBGD CC(=O)N1CCN(CC(=O)N2CC[C@H](CNC(=O)[C@H](O)CCl)[C@@H]2c2cccnc2)CC1 1803142551 FKTRPPHNMNIYTJ-GGPKGHCWSA-N 451.955 -0.149 50 20 JBGD O=C(NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1)c1cc(CO)on1 1811590041 OTRFKMHJEQFGHP-JXFKEZNVSA-N 450.260 -0.125 50 20 JBGD C[C@H](C(=O)N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1)[C@H]1SC(=N)NC1=O 1815354554 IJBDAXQRSWVMQZ-ONENECBXSA-N 487.372 -0.149 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cnnn3)C2)C1 1832549652 WIDHSULGAQPJQO-LIRRHRJNSA-N 487.945 -0.738 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)c3cnn4cccnc34)CC2)CC1)c1ccc(B(O)O)cc1 1834798665 WHEGOFGPAPXXAY-UHFFFAOYSA-N 476.346 -0.092 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)CN3CCCCC3=O)CC2)CC1)c1ccc(B(O)O)cc1 1834798852 FEUIWJIAPOQCMZ-UHFFFAOYSA-N 470.379 -0.436 50 20 JBGD CNC(=S)NCCC(=O)NC1CCN(C2CCN(C(=O)c3cnccc3C(=O)NN)CC2)CC1 1835738796 ALJARPAYLGQNOF-UHFFFAOYSA-N 490.634 -0.646 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)COCc3ccccc3)C2)C1 1837457913 VUGPTIMPHAAWFN-XMMPIXPASA-N 483.525 -0.028 50 20 JBGD Cn1cc2cc(C(=O)N3CCOC[C@]4(C3)CN(C(=O)c3cnccc3C(=O)NN)CCO4)ccc2n1 1837460272 YZZHZSAOSKXJNE-DEOSSOPVSA-N 493.524 -0.044 50 20 JBGD CCOC(=O)c1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)cc1 1839443799 FMYROSRCMHPBSU-VWLOTQADSA-N 496.325 -0.073 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)C3CN(C(=O)OC(C)(C)C)C3)C2)C1 1840184259 FTSJYEAHHULBNE-QHCPKHFHSA-N 497.593 -0.317 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(CN(C(=O)C(=O)c3cccn3C)CCO2)C1 1840482633 ORMFFQXXCMXEOE-DZQSVEARSA-N 484.513 -0.202 50 20 JBGD COc1cc(N2CCC(C(=O)N3CCCC34CN(C(=O)c3cccc(B(O)O)c3)C4)CC2)ncn1 1841460036 IEANRKVJWARHDW-UHFFFAOYSA-N 479.346 -0.101 50 20 JBGD O=C(Cn1cc(Br)c(=O)[nH]c1=O)NNC(=O)c1csc(N2CCOCC2)n1 24292030 SJDYVZHGINCZDD-UHFFFAOYSA-N 459.282 -0.947 50 20 JBGD O=C1CC[C@@H](C(=O)N2CSC[C@@H]2C(=O)N2CC[C@]3(CN(C(=O)[C@@H](F)Cl)CCO3)C2)N1 1782873374 SASQPGFWIIUYMT-NMFBSDBYSA-N 462.931 -0.469 50 20 JBGD CC(=O)NCCC(=O)N1CC[C@@]2(C1)CN(C(=O)CN(C)NC(=O)NCc1ccccc1)CCO2 1783188926 OLRNUAIEBSZEBF-HSZRJFAPSA-N 474.562 -0.311 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cncc(S(C)(=O)=O)c1)CCO2 1783936209 IPFFFXNUKYNQSF-HXUWFJFHSA-N 467.548 -0.698 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCBr)C2)c1n[nH]c2c1CS(=O)(=O)C2 1795931893 RJYXLKBHYKPABP-WDAIWFPHSA-N 461.338 -0.174 50 20 JBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1)[C@@H]1CCc2nc(O)nc(O)c2C1 1796190827 PWYCAXBKXUBVFM-VDNDLQMASA-N 466.303 -0.376 50 20 JBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc2c(c1)CCNCC2 1800245686 DEELYWNQPNJJGC-OPMZPASUSA-N 458.563 -0.654 50 20 JBGD CC[C@H](NC(C)=O)C(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1802543821 GJRHQUNOUBMSAM-GIVPXCGWSA-N 452.320 -0.004 50 20 JBGD CCC(=O)N[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807360369 RXKMNWGSGOCDAN-FPDPHYFHSA-N 452.320 -0.004 50 20 JBGD C[C@H](C(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1)N1CCN(C)CC1 1807364644 GONKCCDNWPSLTP-JMUQELJHSA-N 479.390 -0.283 50 20 JBGD O=C(NC[C@@H]1CCN(C(=O)CCN2CCOC2=O)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807377087 XFKMJTONAQCWAP-RXVVDRJESA-N 466.303 -0.077 50 20 JBGD O=C(CN1C(=O)CSC1=S)N[C@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815347607 GLSNIHFNKODEJX-LBPRGKRZSA-N 490.397 -0.091 50 20 JBGD CC(=O)N1CCN(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1828491370 LCDYIXKJTXMMMG-HSZRJFAPSA-N 484.406 -0.236 50 20 JBGD CC(C)(C)OC(=O)N1CCOC[C@@H]1C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](O)CCl)CCO2)C1 1830725593 KPNFETZQUWAAIE-XFQAVAEZSA-N 491.969 -0.322 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)c3n[nH]c4c3CS(=O)(=O)C4)CC2)CC1)[C@@H](O)CCl 1833310685 PQWFAPBPNVGBIV-INIZCTEOSA-N 473.983 -0.377 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCc4ccccc4[C@H]3O)C2)C1 1835926695 ZCCVAQANJOIDIM-PPJWLVRDSA-N 494.353 -0.268 50 20 JBGD O=C(CCc1cnc2[nH]ccc2c1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835939942 PTXWCKSFVSOOAQ-RUZDIDTESA-N 492.341 -0.055 50 20 JBGD O=Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)s1 1835943598 WEWMNMHZWBJAIY-OAQYLSRUSA-N 458.301 -0.376 50 20 JBGD COc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)c([N+](=O)[O-])cc1O 1838601999 HRBVNWGAZHEGAL-KXBFYZLASA-N 473.866 -0.021 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)c2ccc(-n3c(O)nnc3O)cc2)C1 1844739208 GDWCXFZGRLOPPB-UHFFFAOYSA-N 463.259 -0.511 50 20 JBGD CC(C)(C)OC(=O)N1C[C@@](C)(O)C[C@H]1C(=O)N1CCCC12CN(C(=O)c1cccc(B(O)O)c1)C2 1846230426 NHMDNJVQDKFYAA-MBSDFSHPSA-N 487.362 -0.056 50 20 JBGD CN(C)C(=O)CNC(=S)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 918717405 SLEIEVPFANZXJB-UHFFFAOYSA-N 457.578 -0.776 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(O)nn1)C2 1779370982 BAXVDBUPBMUCIF-IIBYNOLFSA-N 455.475 -0.378 50 20 JBGD Cc1c(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cccc(B(O)O)c2)C3)cn2[nH]cnc(=O)c12 1780018701 VLLXSMHJIORYJL-NTKDMRAZSA-N 493.329 -0.548 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)COc2ccc(O)nn2)C1 1781493965 FYVCARYXJKJGJJ-OPAMFIHVSA-N 485.501 -0.613 50 20 JBGD O=C1CC[C@@H](C(=O)N2CSC[C@@H]2C(=O)N2CC[C@]3(C2)CN(C(=O)[C@H](F)Cl)CCO3)N1 1782873373 SASQPGFWIIUYMT-JPVZDGGYSA-N 462.931 -0.469 50 20 JBGD C[C@H](Oc1ccccn1)C(=O)N1CC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1784491979 XQYFFRUGSZYOJP-NYHFZMIOSA-N 454.487 -0.009 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CC(=O)N(C4CCCC4)C3)C[C@@H]21)c1ccc(B(O)O)cc1 1786980246 ZOJXGLISAWMNGU-UDKICSLYSA-N 483.374 -0.249 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3Cc4ccccc4CN3)[C@H]2C1 1787413048 IWRHDKQXIZSGRR-MQGJPIDWSA-N 478.553 -0.007 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(=O)nc4cccnn34)[C@H]2C1 1789201137 JLPLQJAJOSJTRI-ZOBUZTSGSA-N 471.518 -0.944 50 20 JBGD CC(C)(C)OC(=O)N1CC=C(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)C1 1795737609 AOQZRUBJQUZFRL-OPVJXMOQSA-N 485.346 -0.253 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=C3c4ccccc4C(=O)N3CC1)C2)c1cccc(B(O)O)c1 1795740341 VPPUVMLRNACMCH-FAQVEIGNSA-N 487.321 -0.160 50 20 JBGD C[C@@H](Oc1ccccn1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797754482 YWSOFCBMOGADKB-BKEDOTJMSA-N 454.487 -0.249 50 20 JBGD C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)[S@](=O)c1ccccc1 1800213296 VCYAZZWCCCYEEO-SUWCKCOHSA-N 470.356 -0.234 50 20 JBGD COC(=O)[C@@H]1CC=CC[C@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1800955787 SJKGPTOELCVCAF-VLKZTRAZSA-N 471.514 -0.356 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@@H](CNC(=O)[C@@H](N)CCC(N)=O)[C@H]1c1cccnc1 1807040130 GOULBJJDYMKEPI-HJNBRIKBSA-N 482.545 -0.186 50 20 JBGD O=C(NC[C@@H]1CCN(C(=O)CN2CCOC2=O)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807359980 NVBUGPSCZJLAPH-PXNSSMCTSA-N 452.276 -0.467 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCC([C@H]2CCCCN2C(=O)[C@@H](O)N2CCOCC2)CC1 1828967928 TYNXYLSZHXUKIM-IFMALSPDSA-N 459.352 -0.750 50 20 JBGD O=C(CCS(=O)(=O)c1ccccc1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830722912 JEQNDTROVWSCCM-FXAWDEMLSA-N 474.963 -0.094 50 20 JBGD O=C([C@@H]1[C@@H](O)CCN1Cc1ccccc1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830736053 QQZUUFAVAHUCMH-IHFIDZABSA-N 481.977 -0.322 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1Cc3ccccc3CN1C)CCO2 1832471562 ITLRWLGSQAFLNP-BWKNWUBXSA-N 487.601 -0.128 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)c3ccnnc3O)CC2)CC1)c1cccc(B(O)O)c1 1834801075 JIYKAXARWUBRPQ-UHFFFAOYSA-N 453.308 -0.639 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3csc(N)n3)CCO2)C1 1835795598 BVWPDCDIKRZCKR-IBGZPJMESA-N 461.504 -0.892 50 20 JBGD C[C@@H](Cn1cncn1)C(=O)NC1CCN(C2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1 1835810653 VIMPDEVPIUEAQN-KRWDZBQOSA-N 462.599 -0.141 50 20 JBGD CC[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1)N(CC)CC 1835927040 CCBGMDQFOAYEPK-NFBKMPQASA-N 461.368 -0.443 50 20 JBGD COc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)nc1 1835928773 YOXXZURPRFXZSJ-QFIPXVFZSA-N 455.276 -0.846 50 20 JBGD CC(=O)Nc1ccccc1C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835934582 ZROXIFNQESVWOQ-DEOSSOPVSA-N 481.314 -0.291 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CNc4ccccc43)C2)C1 1835935407 DRVZFRGMQILZFP-RDPSFJRHSA-N 465.315 -0.354 50 20 JBGD O=C(c1cccc(-n2cncn2)c1)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835939342 MSKWSSKMLGTSMO-DEOSSOPVSA-N 491.313 -0.669 50 20 JBGD CCOC(CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2)OCC 1835939818 JLTSRZUJPKQHJR-QFIPXVFZSA-N 464.324 -0.774 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn4ccncc34)C2)C1 1837459652 VEOFCLVSYQHIDB-QFIPXVFZSA-N 480.485 -0.888 50 20 JBGD C=C(C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnccc1C(=O)NN)CCO2)C(F)(F)F 1837460339 BUNPZJQAZBCEJX-SFHVURJKSA-N 457.409 -0.126 50 20 JBGD COc1nc(C)ccc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1838174424 BNOHVTBFXRCXQY-QHCPKHFHSA-N 469.303 -0.538 50 20 JBGD CN(CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncc[nH]3)C2)C1)NC(=O)NCc1ccccc1 1839054071 FWTHDQZTJQLYRF-QHCPKHFHSA-N 485.545 -0.174 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CC[C@@H]3CCC(=O)N3C1)CCO2 1839084514 FNMAJZRWGLQGRY-PNCHPQGNSA-N 479.578 -0.783 50 20 JBGD CC[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)NS(=O)(=O)CC)C2)C1 1839963111 ZZXKQGJJIGGMLI-KEYYUXOJSA-N 484.413 -0.056 50 20 JBGD O=C(Cn1cnc2ccccc21)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1840101385 IBDFIDGODIJYBN-DEOSSOPVSA-N 478.314 -0.514 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)CN(C)C(=O)c3ccccc3)C2)C1 1840182829 VRGNGJYBHHPISO-DEOSSOPVSA-N 489.573 -0.412 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3Cc4ccccc4CN3C)C2)C1 1840183051 ZTZDCIZSZPRULM-PXDATVDWSA-N 487.601 -0.128 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnnc(Cl)c3)C2)C1 1840183540 LFKHVYCLJFWRGW-IBGZPJMESA-N 454.915 -0.427 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccn4cncc34)C2)C1 1840184363 IGLPJXGWEXQDIF-JOCHJYFZSA-N 458.519 -0.223 50 20 JBGD Cc1cc(C)n2ncc(C(=O)N3CCOC[C@]4(CN(C(=O)CCC(=O)NN(C)C)CCO4)C3)c2n1 1840184580 VYUAZINIJRDUQE-QHCPKHFHSA-N 487.561 -0.211 50 20 JBGD Cn1cc(S(=O)(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1C(N)=O 912980521 LPEMDKOFTLGKSC-UHFFFAOYSA-N 499.571 -0.913 50 20 JBGD COC(=O)CSCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCC(=O)NN(C)C)C1 1782210038 BMTWQAGOGVOGLQ-FOIQADDNSA-N 458.581 -0.221 50 20 JBGD O=C(CN1C(=O)CSC1=S)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2 1783245925 KVIGQYVJURMSCD-IIBYNOLFSA-N 491.400 -0.646 50 20 JBGD COC(=O)[C@@H]1CC[C@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)C1 1784082049 QQTMYXIWFIBZLD-MFMLGXQFSA-N 458.320 -0.451 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3ON=C(c4ccccc4)O3)C[C@@H]21)c1ccc(B(O)O)cc1 1786979812 RHMOUXMDNQJHBY-CDSYHYPYSA-N 479.298 -0.306 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=O)c3cccnc3)C[C@@H]21 1791287899 BEDFTVAJQVGHQM-BZSNNMDCSA-N 460.535 -0.836 50 20 JBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CC[C@H]3CCC(=O)N3C1)C2 1797752815 IJJIFFJBUGOKPQ-YTKSKTJISA-N 470.530 -0.711 50 20 JBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc3c1NC(=O)C3)C2 1797754093 UFALLYAWNYVNAF-HBCWATKFSA-N 464.482 -0.303 50 20 JBGD CC(C)(C)OC(=O)N1[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)C[C@H]2C[C@H]21 1802136875 ZRWIHTCNHCXTOS-JFLLUYDKSA-N 499.373 -0.033 50 20 JBGD CC(=O)N1CCN(CC(=O)N2CC[C@H](CNC(=O)[C@H](O)CCl)[C@H]2c2cccnc2)CC1 1803142557 FKTRPPHNMNIYTJ-QWFCFKBJSA-N 451.955 -0.149 50 20 JBGD CCNC(=O)N[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807362263 VCSKWUOAJISQNW-XFQXTVEOSA-N 467.335 -0.211 50 20 JBGD CN(CC(=O)NC[C@@H]1CCN(C(=O)C(O)O)[C@@H]1c1cccnc1)NC(=O)NCc1ccccc1 1807455132 XDOJHUXVPJKGSA-AZUAARDMSA-N 470.530 -0.256 50 20 JBGD O=C(N[C@H]1CCc2nc(NC(=O)[C@@H]3CCCS3(=O)=O)sc2C1)c1ccc(B(O)O)cc1 1824929072 VOEBLWBZOWKDBX-BBRMVZONSA-N 463.346 -0.374 50 20 JBGD C[C@@H](Cn1cccn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1833203950 UVQVCJRMINNPOQ-LAUBAEHRSA-N 450.540 -0.651 50 20 JBGD O=C(c1ccc(Cl)nc1)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835934211 PRIKVIXVJHNBPN-NRFANRHFSA-N 459.695 -0.201 50 20 JBGD O=C(CCCn1ccnc1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835934488 VOFALXCAZSXGRH-JOCHJYFZSA-N 456.308 -0.887 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc3n(n1)CCCO3)CCO2 1836968199 GPDMZCLGBMDSIN-AJPHYDNBSA-N 499.528 -0.130 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837446482 CFACQTVCTYIQKQ-PIUNUONSSA-N 452.556 -0.713 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cc(Cl)cn3)C2)C1 1837457514 HSCVTJOTWLMFNG-FQEVSTJZSA-N 477.909 -0.695 50 20 JBGD CCCC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837459467 QXAZJLVKOMSZJP-IVZQSRNASA-N 476.534 -0.940 50 20 JBGD CCN1CCC(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)CC1 1840928154 WLVNIGFDWQURID-HSZRJFAPSA-N 459.352 -0.832 50 20 JBGD CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccccc1)C(=O)NNC(=O)Cn1cnc2ccccc21 17405867 WHKOBKVBKYZFQZ-KRWDZBQOSA-N 493.567 -0.035 50 20 JBGD Cc1cc(S(N)(=O)=O)sc1C(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1 728339860 ZIZGPKHNTDRXPX-GFCCVEGCSA-N 455.470 -0.152 50 20 JBGD COc1ccc(C(=O)NNC(=O)COC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)cc1OC 914652571 FWPRZTIIJPOJCI-ZIAGYGMSSA-N 483.499 -0.956 50 20 JBGD CN(CC(=O)N1CC[C@]2(CN(C(=O)/C=C\C(=O)NC3CC3)CCO2)C1)NC(=O)NCc1ccccc1 1780969032 SPSYJJOQIQAMEO-HAAQQRBASA-N 498.584 -0.003 50 20 JBGD CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]3C2)C1 1784093439 YZSMSYJQVZAQND-HAEOWDPNSA-N 475.970 -0.206 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1ccc2nonc2c1 1787879586 OXVOCQXYMPJKNV-KNBMTAEXSA-N 450.260 -0.190 50 20 JBGD 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C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1800863634 FYCVKANUVGMABK-VWPFQQQWSA-N 476.534 -0.199 50 20 JBGD O=C(NC[C@H]1CCN(C(=O)Cn2ccccc2=O)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807371098 PLSFWSHXFNOGJN-XXBNENTESA-N 460.299 -0.057 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)[C@@H]1c1cccnc1 1813069821 CMRHDLHQYUWYRR-YZVOILCLSA-N 459.507 -0.942 50 20 JBGD C[C@@H](C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc(B(O)O)cc1)CC2)N1CCN(C)CC1 1822685648 SYGTUXIIEFMIJK-YOEHRIQHSA-N 471.392 -0.315 50 20 JBGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H](O)N1CCOCC1)CC2 1826088644 ZEEQWLKEYQHJPG-KPZWWZAWSA-N 454.553 -0.921 50 20 JBGD O=C(c1cc(=O)nc2sccn12)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830731478 JYYZJFFRNXQFAT-FZKQIMNGSA-N 456.908 -0.574 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCC(=O)N1)CCO2 1835308072 UDRSDCYQQLDAIX-VGOFRKELSA-N 490.469 -0.131 50 20 JBGD 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1835738086 CVNGQYNTAQNVNW-HSZRJFAPSA-N 490.561 -0.514 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(CN(C(=O)C[C@H](N)c3cccnc3)CCO2)C1 1835834332 QFUHZAVTAHILGO-CVDCTZTESA-N 483.529 -0.760 50 20 JBGD COc1ncc(Cl)cc1C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835934501 WAWKCKOQHIHNDK-QFIPXVFZSA-N 489.721 -0.193 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)c3cccnc3OCC3CC3)C2)C1 1835935049 DAQIYJOHYOUQSB-RUZDIDTESA-N 495.341 -0.066 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)[C@H]3ON=C(c4ccccc4)O3)C2)C1 1835938070 IEEBFDLYRIRNPN-DNQXCXABSA-N 495.297 -0.829 50 20 JBGD CC(=O)O[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1)C(C)C 1837221949 MQBKCVYGNKZYBJ-PGRDOPGGSA-N 477.518 -0.657 50 20 JBGD CCc1noc(C)c1C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1838060591 TUUSJRBGIFXPHV-NRFANRHFSA-N 451.524 -0.012 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(CN(C(=O)c3cc4cccnn4n3)CCO2)C1 1838425446 JYLGMTFEFNHPGN-JOCHJYFZSA-N 480.485 -0.888 50 20 JBGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCNC(=O)OC(C)(C)C)CCO2 1839204226 LISHVPIEKQRGKS-GCKMJXCFSA-N 493.985 -0.028 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(O)ccc1O)CCO2 1839447097 KMVXVWFQUHIBNW-JOCHJYFZSA-N 456.260 -0.839 50 20 JBGD CN1CCC(CC(=O)N2CCOC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)CC1 1840182387 BTNVJPQCIWCMCV-JOCHJYFZSA-N 453.584 -0.452 50 20 JBGD O=C(NCCCN1CCCS1(=O)=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 726276344 CGLTZTXXQXGUBM-UHFFFAOYSA-N 473.577 -0.159 50 20 JBGD CS(=O)(=O)CCNC(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 727943000 SYGSUMYTMFEFGZ-UHFFFAOYSA-N 462.550 -0.985 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)c3cccc(N4CCOCC4)c3)C2)C1 1781734958 KFGBLRMIRHHCGE-RUZDIDTESA-N 479.342 -0.040 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc(-n3c(O)nnc3O)cc1)CCO2 1783935415 RHCQGFAJOXQGSV-JOCHJYFZSA-N 487.517 -0.505 50 20 JBGD O=C(CCBr)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCS(=O)(=O)CC3)C[C@@H]21 1786401127 QCFQOLUWQUHDNE-KKUMJFAQSA-N 466.398 -0.519 50 20 JBGD Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](O)CCl)C3)cc1 1793009354 BSSGZQNBVFRFEU-DTJSUFBGSA-N 473.979 -0.149 50 20 JBGD COc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)cc1F 1795737016 SNGBKZXAVPNINR-FAQVEIGNSA-N 456.279 -0.040 50 20 JBGD C[C@H]1CCc2c(C(=O)N3CCOC[C@]4(CN(C(=O)c5ccc(B(O)O)cc5)CCO4)C3)n[nH]c21 1835930573 NMCXKKNPUJIHGD-WNSKOXEYSA-N 468.319 -0.477 50 20 JBGD COc1cccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)c1C 1835939930 PLAMUOFUKIFTQM-RUZDIDTESA-N 482.342 -0.004 50 20 JBGD CC(=O)N1CCN(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)Br)C3)C2)CC1 1836768620 HKTRCTYHVROKMU-BEFAXECRSA-N 475.384 -0.610 50 20 JBGD Cn1nc(C(=O)N2CCC(OC3CCN(C(=O)c4cccc(B(O)O)c4)CC3)CC2)cc1O 1837269999 WIXQZMGPJBOLQV-UHFFFAOYSA-N 456.308 -0.269 50 20 JBGD CCc1oncc1C(=O)N1CCOC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837456197 FEYOOCHXUBLYOZ-OAQYLSRUSA-N 458.475 -0.381 50 20 JBGD O=C(Cn1ccccc1=O)N1CCC(OC2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1837921015 RRLSVGKGFAMRJK-UHFFFAOYSA-N 467.331 -0.160 50 20 JBGD CC[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)CN(C)C(=O)C(=O)O)C2)C1 1839966834 RAFXRZLSSZNUHU-SJCJKPOMSA-N 464.313 -0.841 50 20 JBGD C[C@@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840182680 PQHMEVLVSSTHTN-KSSFIOAISA-N 463.373 -0.153 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3nnsc3C3CC3)C2)C1 1840184428 LMOCKIPGQCMPDG-HXUWFJFHSA-N 466.564 -0.142 50 20 JBGD Cc1nccn1[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840185966 UPRACWYMFUAIKJ-KKSFZXQISA-N 450.540 -0.418 50 20 JBGD C[C@H](CO)NS(=O)(=O)c1ccc(C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1 728328486 VARXRYAWKRAQSS-ACJLOTCBSA-N 493.494 -0.510 50 20 JBGD Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NNC(=O)N[C@@H]3CCS(=O)(=O)C3)C2)cc1 915880273 DEYORZJDUDCNLI-HUUCEWRRSA-N 458.562 -0.087 50 20 JBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](F)Br)C2)[C@H](O)N1CCOCC1 1779415404 JCFKYYYCSMCETP-OSRSDYAFSA-N 452.321 -0.159 50 20 JBGD Cc1onc(-c2ccncn2)c1C(=O)N1CC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1780048536 WAQIOMMHKWSEJL-HSZRJFAPSA-N 477.286 -0.123 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)c3cccc(-n4cncn4)c3)C2)C1 1782014398 LATXVBAYBZEEPL-QHCPKHFHSA-N 461.287 -0.296 50 20 JBGD Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)c(-n2nccn2)c1 1798629484 JVYVCEJLRXDSFM-OPMZPASUSA-N 475.314 -0.227 50 20 JBGD COc1cccc(OC)c1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1798825627 FPRMZWRFNWNNEF-VPTLXERWSA-N 454.288 -0.099 50 20 JBGD CC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cnc3c1c(=O)n(C)c(=O)n3C)C2 1799263531 PDOZIRPQICEFIS-QVHKTLOISA-N 466.926 -0.959 50 20 JBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(=O)nc3sccn13)C2 1801011788 DLSHCIPTNVIRRA-IVWMJMPLSA-N 462.532 -0.668 50 20 JBGD COc1ccc(COCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)cc1 1801106784 GZHMMQYXBUBKNH-BBIADKPPSA-N 468.315 -0.205 50 20 JBGD O=C(NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807367430 ZNIXZQMJOJICGT-JXFKEZNVSA-N 498.395 -0.059 50 20 JBGD C[C@H](C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1ccc(B(O)O)cc1)CC2)N1CCN(C)CC1 1822685645 SYGTUXIIEFMIJK-RHSMWYFYSA-N 471.392 -0.315 50 20 JBGD Cc1ncc(C(=O)N2CCC(N3CCC(NC(=O)c4ccc(B(O)O)cc4)CC3)CC2)cn1 1834797323 CJSWXPKODNJOQQ-UHFFFAOYSA-N 451.336 -0.036 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)[C@H](O)c3ccco3)CC2)CC1)c1cccc(B(O)O)c1 1834800675 XPCGLOAKSULKDI-OAQYLSRUSA-N 455.320 -0.122 50 20 JBGD O=C(c1ccc(-n2cnnc2)cc1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835929130 BCGNQYHQOCDLQH-XMMPIXPASA-N 491.313 -0.669 50 20 JBGD O=C(CNc1ccc(F)cc1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835929379 NDOTTZZTHACROM-HSZRJFAPSA-N 471.294 -0.312 50 20 JBGD Cc1nccn1CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835940182 YICIRIISVBQAIN-HSZRJFAPSA-N 470.335 -0.578 50 20 JBGD C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1)n1cccc1C=O 1835954609 MSQHURCKIAMJRV-UZUQRXQVSA-N 469.303 -0.688 50 20 JBGD C[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1)n1cccc1 1837461591 ZBWJFCOAGHBCLD-KSFYIVLOSA-N 456.503 -0.182 50 20 JBGD CCNC(=S)NCC(=O)N1CCC(OC2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1837921748 XPJXQJUFUSNXMM-UHFFFAOYSA-N 476.408 -0.537 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccn(C(F)F)n1)CCO2 1838039492 PONPGJMVYXYOBN-LJQANCHMSA-N 458.466 -0.279 50 20 JBGD CNC(=S)NCCC(=O)N1CCC(OC2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1 1838395831 REGGROMKWJQBPC-UHFFFAOYSA-N 470.640 -0.158 50 20 JBGD Cc1ccn2c(C(=O)N3CCO[C@]4(COCCN(C(=O)c5cccc(B(O)O)c5)C4)C3)cnc2c1 1839601401 XDTYVXHBQUWFGI-DEOSSOPVSA-N 478.314 -0.294 50 20 JBGD COC[C@H](NC(C)=O)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)Br)CCO2)C1 1840033881 UFCNEPNYEXIUIM-JDFRZJQESA-N 450.330 -0.623 50 20 JBGD CC(=O)Nc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)c1 1840729536 QIQUHCAPOXLZFS-XMMPIXPASA-N 481.314 -0.291 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)CCN2C(=O)Cc3ccccc3C2=O)C1 1841401596 CAPKIXWADHAGDM-UHFFFAOYSA-N 475.310 -0.201 50 20 JBGD O=C(COC(=O)CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)NNC(=O)[C@H]1COc2ccccc2O1 845919000 RNOHDRUVPDUKJG-JLXSXFOYSA-N 455.423 -0.676 50 20 JBGD COc1ccc(S(=O)(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1[C@@]1(C)NC(=O)NC1=O 917717319 PENXOSJLGBXXNU-OXQOHEQNSA-N 476.467 -0.101 50 20 JBGD O=C(CCN1C(=O)c2ccc(Br)cc2C1=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 919888820 HAZQKRLKXKRBIP-JTQLQIEISA-N 473.305 -0.047 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)c3nn[nH]c3C(F)(F)F)C2)C1 1780360428 APCZYERGQRXCMM-QGZVFWFLSA-N 453.186 -0.739 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)CN(C)C(=O)c1ccccc1)CCO2 1783933793 YMTFHJPJXJWWDT-HSZRJFAPSA-N 459.547 -0.039 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)CCO2 1783934717 KVMXSTWZAJHCJO-HSZRJFAPSA-N 470.530 -0.018 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc(S(C)(=O)=O)cn1)CCO2 1783935740 CUMGHDMXSVICEA-FQEVSTJZSA-N 467.548 -0.698 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)[C@@H]1Cc2ccccc2O1 1788183010 QWLNBDMACFXVRQ-UDDWMFPDSA-N 450.300 -0.037 50 20 JBGD COc1ccc([C@@H](O)C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)cc1 1792713243 NQSFDQGOWVUJDK-HRQSHJORSA-N 454.288 -0.688 50 20 JBGD CC(C)(C)OC(=O)N[C@]1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](O)CCl)CCOC1 1792978489 DKGBTGRFKUDQEJ-SGQRUEDASA-N 461.943 -0.141 50 20 JBGD COc1nccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)c1F 1795910991 JHBWMOUPPOPPMF-DPIQGUFMSA-N 458.450 -0.255 50 20 JBGD CC(=O)Nc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)cc1O 1799846216 DRPJGFAQVZFZPD-UPHUGPLXSA-N 467.287 -0.453 50 20 JBGD CS(=O)(=O)CC(=O)NC[C@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1806768425 JTUYXECAJGMMTR-KDOFPFPSSA-N 460.516 -0.556 50 20 JBGD CN1CCN(CC(=O)Nc2nc3c(s2)C[C@H](NC(=O)CCC(=O)NN(C)C)CC3)CC1 1818805016 OAJFUNOMRFCMFO-CQSZACIVSA-N 451.597 -0.325 50 20 JBGD CN1CCC(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)CC1 1830010405 YSWGQUPEDGDKSP-JOCHJYFZSA-N 453.584 -0.452 50 20 JBGD CCOc1cnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)cn1 1833433442 AJTPNLWPUXEZSZ-JOCHJYFZSA-N 485.501 -0.742 50 20 JBGD CC(=O)OC[C@H](OC(C)=O)C(=O)NC1CCN(C2CCN(C(=O)[C@H](O)CCl)CC2)CC1 1835754164 USVPHGUDLLYWFX-MSOLQXFVSA-N 461.943 -0.348 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CNc4ccccc43)C2)C1 1835928767 YHTBFEDZDIDADR-YKSBVNFPSA-N 465.315 -0.354 50 20 JBGD O=C(Cc1ccc2c(c1)OCO2)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835929267 HZMYIHCHFQNEDX-XMMPIXPASA-N 482.298 -0.592 50 20 JBGD O=C(c1cc(Cl)c2nncn2c1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835930726 WOBUCEJSQWOQCT-JOCHJYFZSA-N 499.720 -0.554 50 20 JBGD C[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835932226 UWEKRLJFUVAAHE-SCLBCKFNSA-N 455.114 -0.780 50 20 JBGD O=C(c1cnc(Cl)nc1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835933824 GKALPPXGFIRMCX-HXUWFJFHSA-N 460.683 -0.806 50 20 JBGD CC(=O)Nc1cccc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)n1 1835935075 FKAXMFVXJHUIAP-HSZRJFAPSA-N 482.302 -0.896 50 20 JBGD Cc1cc(C)n2ncc(C(=O)N3CCOC[C@]4(CN(C(=O)c5cccc(B(O)O)c5)CCO4)C3)c2n1 1835936769 CFKBIUNYIHRVHU-DEOSSOPVSA-N 493.329 -0.590 50 20 JBGD CN1CCC[C@H](C(=O)N2CCOC[C@]3(CN(C(=O)c4cnccc4C(=O)NN)CCO3)C2)C1 1837459344 DEAKVXKHCWBUGW-KSFYIVLOSA-N 460.535 -0.903 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCc4nc[nH]c4C3)C2)C1 1837460329 BLMQZPHXMCUOOR-WNSKOXEYSA-N 483.529 -0.717 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(O)nc3)CCO2)C1 1838649857 PBSCNEVNQDHNNH-NRFANRHFSA-N 456.459 -0.831 50 20 JBGD COc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)c1 1838927206 HGBGVSYKGHJQGK-HSZRJFAPSA-N 454.288 -0.241 50 20 JBGD C[C@](Cl)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(=O)n4[nH]cnc4n3)C2)C1 1839151922 IGHLTFSDUBHQSK-ROUUACIJSA-N 473.317 -0.276 50 20 JBGD C[C@@H](C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2)N1CCN(C)CC1 1839202109 VBUCOLIDMPQSIN-MPGHIAIKSA-N 465.364 -0.231 50 20 JBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)NC(=O)c3ccccn3)C2)C1 1840155778 HXAXQAIDQIOKQS-QYWGDWMGSA-N 468.938 -0.090 50 20 JBGD CCN1CCC(C(=O)N2CCOC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)CC1 1840187193 LUDUFGZXWBMLKE-QFIPXVFZSA-N 453.584 -0.452 50 20 JBGD CC(C)(C)OC(=O)N1CC[C@H](O)[C@@H](C(=O)N2CCCC23CN(C(=O)c2ccc(B(O)O)cc2)C3)C1 1843823165 MXOFDEFDWAAOMO-OALUTQOASA-N 487.362 -0.199 50 20 JBGD Cn1c(=O)n(CC(=O)N2CCCC23CN(C(=O)c2cnccc2C(=O)NN)C3)c2ccccc21 1843859923 CGGFMXGLLKNTMY-UHFFFAOYSA-N 463.498 -0.144 50 20 JBGD CC(=O)N[C@H](C(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)C(C)C 25166622 RFNYMMJAEWPUSC-IBGZPJMESA-N 454.549 -0.052 50 20 JBGD C[C@H](C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1)N1C(=O)c2ccc(Br)cc2C1=O 919890015 YLCRPNLGJHBJKH-PSASIEDQSA-N 473.305 -0.049 50 20 JBGD CC(C)(C)OC(=O)NCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786984988 GPEHXLKDEFLWFJ-SZMVWBNQSA-N 461.324 -0.516 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1ncn(-c2ccccc2)n1 1787584093 NFZFDMJKHZYLAX-YYWHXJBOSA-N 475.314 -0.146 50 20 JBGD COC(=O)[C@H]1CC[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)CC1 1795737672 IPLLWPAXZKBLQH-PKVNAZAGSA-N 458.320 -0.451 50 20 JBGD CS(=O)(=O)c1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)cc1F 1795740757 KUBQNNYYYQFVHD-CWPLJXCYSA-N 490.318 -0.574 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1cnc(C(F)(F)F)cn1 1796068014 MSWOHSKJSKUCFO-FVCICTRLSA-N 464.209 -0.308 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(=O)nc3cccnn13)C2 1796441376 DSSVBQDTICZAOQ-DFZQMDCHSA-N 492.496 -0.573 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(N2CCOCC2)n1 1796617936 INMWDLOVQYTONA-VPTLXERWSA-N 495.540 -0.566 50 20 JBGD COC(=O)[C@H]1CC=CC[C@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2 1800962406 TYVXJGVYEVGBGN-QOSLBHJFSA-N 450.536 -0.296 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@@H](CNC(=O)CN2C(=O)CNC2=O)[C@@H]1c1cccnc1 1804090990 MUZUOTHMQZWEMM-IRBZMGECSA-N 494.512 -0.227 50 20 JBGD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@@H](NC(=O)c1cccc(B(O)O)c1)CC2 1828242682 RWIJFGDVSAKJID-LBPRGKRZSA-N 490.397 -0.091 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)CNCP(=O)(O)O)CC1 1828925800 SNLRMQVJXSPVQB-KRWDZBQOSA-N 482.478 -0.357 50 20 JBGD C[C@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3ccncc3=O)C2)C1 1830543775 CNRUIISSBTWDJU-RDTXWAMCSA-N 457.325 -0.269 50 20 JBGD Cc1cn2c(=O)c(C(=O)N3CCOC[C@]4(C3)CN(C(=O)[C@@H](O)CCl)CCO4)cnc2s1 1830727661 APBBMCJOIJTLLP-LIRRHRJNSA-N 470.935 -0.266 50 20 JBGD CC[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1)N(CC)CC 1831663486 IFGXBGQVENEJEX-NZQKXSOJSA-N 461.368 -0.443 50 20 JBGD COc1cccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)n1 1832823637 FXHOADULEBLSSV-DEOSSOPVSA-N 498.540 -0.209 50 20 JBGD Cn1nc(C(=O)NC2CCN(C3CCN(C(=O)c4ccc(B(O)O)cc4)CC3)CC2)cc1O 1833944888 ONDKTRMEFMQPCM-UHFFFAOYSA-N 455.324 -0.696 50 20 JBGD CCOC(=O)/C=C/C(=O)NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1834402107 ZXHISCFCIDCLLJ-VOTSOKGWSA-N 457.336 -0.329 50 20 JBGD O=C(c1ccc2n[nH]cc2c1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835928126 FKQMGVKABPYJNX-QHCPKHFHSA-N 464.287 -0.374 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)c3c[nH]c4cnccc34)C2)C1 1835930214 CPTXAHBOBGOIQP-QHCPKHFHSA-N 464.287 -0.374 50 20 JBGD Cc1cnc2c(C(=O)N3CCOC[C@]4(CN(C(=O)c5ccc(B(O)O)cc5)CCO4)C3)cnn2c1 1835930789 ZQXWVUINESRKMH-QHCPKHFHSA-N 479.302 -0.899 50 20 JBGD CCN1CCC(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)CC1 1835933895 IIMWLNNLOYNHLT-HSZRJFAPSA-N 459.352 -0.832 50 20 JBGD O=C(CSc1ncccn1)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1836112627 HSXDHOVFCZBNJE-NRFANRHFSA-N 472.332 -0.981 50 20 JBGD CCCNC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnccc1C(=O)NN)CCO2 1837456581 OQIUQGRVDJLUQK-JOCHJYFZSA-N 476.534 -0.939 50 20 JBGD COC(=O)Nc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)c1 1839244860 OKSSEUZYVIUHNQ-XMMPIXPASA-N 497.313 -0.072 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(O)c(F)c3)CCO2)C1 1839304771 ZUEANYPJARGUPK-QFIPXVFZSA-N 473.461 -0.086 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2 1839434255 XGFWENMPSCHPKB-QFIPXVFZSA-N 490.705 -0.185 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1ccc3c(c1)CCO3)CCO2 1839999743 QWOPMUCADFPRRX-DEOSSOPVSA-N 474.558 -0.007 50 20 JBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCNC(=O)OC(C)(C)C)C2)C1 1840154689 CQPPDXYUGYMZKY-MRUHUIDDSA-N 493.985 -0.028 50 20 JBGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1 1840155721 HAKFNQHSNOFLOZ-AUUYWEPGSA-N 472.882 -0.533 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)CSc3ncccn3)C2)C1 1840184061 PKNVXJXIVNNCOD-HXUWFJFHSA-N 466.564 -0.602 50 20 JBGD Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)no1 1840368199 AOTYVSFDQNZWFO-NRFANRHFSA-N 458.475 -0.706 50 20 JBGD COc1ccccc1OCC(=O)NNC(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 726710868 WDYPGCYFSWERKT-UHFFFAOYSA-N 457.491 -0.067 50 20 JBGD O=C(CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21)NNC(=O)N1CCOCC1 745991727 GBBGJEYPQFTDJG-UHFFFAOYSA-N 467.504 -0.158 50 20 JBGD O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 746387260 JHEOUDFZJMSYHH-FQEVSTJZSA-N 472.590 -0.473 50 20 JBGD CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NNC(=O)CNC(=O)c3cccs3)c2)CC1 751210742 ILOXFLMSUMJPJR-UHFFFAOYSA-N 493.567 -0.208 50 20 JBGD COc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)C1=NC=CN2CCS(=O)(=O)N=C12 844199469 FQLBKYNMNLIWBU-UHFFFAOYSA-N 469.863 -0.378 50 20 JBGD CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)NNC(=O)CCN2C[C@H](C)O[C@H](C)C2)cc1 912924759 LZAMHCRBZKTYSP-OKILXGFUSA-N 455.537 -0.430 50 20 JBGD CCCNC(=O)CN1CCC(NC(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)CC1 916518765 JXHQMTHKKZQFMQ-UHFFFAOYSA-N 496.638 -0.366 50 20 JBGD O=C(CN1CCCC1=O)NNC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 920435540 IWMFHSBDZFDEFL-OAHLLOKOSA-N 453.477 -0.092 50 20 JBGD O=C(COC(=O)CCNS(=O)(=O)c1ccc(Cl)nc1)NNC(=O)[C@H]1COc2ccccc2O1 928978450 JNVGSSLQLYTHHG-OAHLLOKOSA-N 498.901 -0.066 50 20 JBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)Cn3nc4n(c3=O)CCCCC4)cc2)CC1 1322437686 XANCBMGXMDQPLY-UHFFFAOYSA-N 463.564 -0.149 50 20 JBGD CN(CC(=O)N1CCO[C@@]2(CCN(C(=O)C3=NNC(=O)C3)C2)C1)NC(=O)NCc1ccccc1 1778940638 VOUYXCOFNSZGCY-QFIPXVFZSA-N 471.518 -0.962 50 20 JBGD O=C(Cn1cccc([N+](=O)[O-])c1=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](O)CCl)C2 1781560869 KUJCHKWEUJZFGE-SPYBWZPUSA-N 456.883 -0.130 50 20 JBGD Cc1cc(NC(=O)CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]32)no1 1787493220 SXXDTIKBICTQIU-JYJNAYRXSA-N 464.523 -0.336 50 20 JBGD O=C(C[C@H]1COc2ccccc2O1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1793266913 KRWHPYOTCDPQMG-ZQYRFBGISA-N 466.299 -0.200 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1ccc2sccc2c1=O 1794044119 OHKAGMJMUKXMAF-VTEUUUEMSA-N 496.549 -0.035 50 20 JBGD C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2)n1ccccc1=O 1797933497 IIXUBJZBEZPZNH-BKEDOTJMSA-N 454.487 -0.689 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc2ncnn2c1 1799082731 SALFHRQGGCWBPY-YVWYUNDQSA-N 464.486 -0.826 50 20 JBGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1)c1nc2ncccn2n1 1809231524 MZLBATRNQDYHSV-HKUYNNGSSA-N 471.286 -0.168 50 20 JBGD O=C(Cn1ccncc1=O)Nc1nc2c(s1)C[C@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1824532336 WXQQRAJCLKEUFR-CQSZACIVSA-N 453.289 -0.694 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(B(O)O)c2)CC1 1828926893 UDEHTIQLKWKJTR-NRFANRHFSA-N 479.346 -0.088 50 20 JBGD C[C@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)N3CCOCC3)C2)C1 1830540093 MVWHPPIITYTCHQ-QGPMSJSTSA-N 464.357 -0.876 50 20 JBGD Cc1cc(CC(=O)NC2CCN(C3CCN(C(=O)c4cccc(B(O)O)c4)CC3)CC2)nn1C 1833366055 JIRVUTGSXPMXGZ-UHFFFAOYSA-N 467.379 -0.164 50 20 JBGD O=C(Nc1cccnc1)C(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834798278 BIGWXZVQXYBVSQ-UHFFFAOYSA-N 479.346 -0.415 50 20 JBGD O=C(CCOc1ccccc1)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1834829827 IRCTXPDJDQQUEB-DEOSSOPVSA-N 468.315 -0.095 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)c3cccnc3S)C2)C1 1835933701 AKPFMKFRCODCRO-OAQYLSRUSA-N 457.317 -0.566 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(O)n3)C2)C1 1837457226 YIBQVDNWOCCDHQ-NRFANRHFSA-N 456.459 -0.831 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(-c3ccncc3)[nH]n1)CCO2 1838011860 CILHQWNSWDRMMG-QHCPKHFHSA-N 485.545 -0.085 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)c1cnn3cccc(F)c13)CCO2 1839618996 MVHROXTVRSQHBU-HSZRJFAPSA-N 482.277 -0.463 50 20 JBGD O=C(Cc1ccc2c(c1)CCO2)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1839998240 KBJRXZIIKLHBSE-RUZDIDTESA-N 480.326 -0.386 50 20 JBGD CC(C)NC(=O)OC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840185672 UXFNUJFRHUTJQE-QFIPXVFZSA-N 485.582 -0.271 50 20 JBGD O=C(CCCCCNS(=O)(=O)c1ccc2c(c1)OCCO2)NNC(=O)[C@H]1CCS(=O)(=O)C1 788022785 HVZSPQPETCXWRZ-AWEZNQCLSA-N 489.572 -0.121 50 20 JBGD COCCN1C(=O)c2ccc(C(=O)NNC(=O)c3nn(C)c(=O)c4ccccc34)cc2S1(=O)=O 917387503 XDLRZEJPLJYDBQ-UHFFFAOYSA-N 485.478 -0.201 50 20 JBGD COC(=O)[C@@H]1CC[C@@H](C(=O)N2CCO[C@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)C1 1779029390 RDFOATJYDJEYOT-HLFMIMNKSA-N 459.503 -0.282 50 20 JBGD O=C(Cn1cccc([N+](=O)[O-])c1=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2 1781560644 XNMNSFXDQASUDI-AUSIDOKSSA-N 498.301 -0.736 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)c3cnc4c(c3)NC(=O)CS4)C2)C1 1782425246 JXYHBKCMUZDLAZ-QFIPXVFZSA-N 497.537 -0.118 50 20 JBGD CCC[C@@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)C[C@@H]21 1784615922 DDZMJTOVNKBKSV-JONQDZQNSA-N 494.980 -0.179 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21 1787508154 KVGJNJJMTSZILA-SMKMMKTPSA-N 475.550 -0.527 50 20 JBGD CN(CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1cnccn1)NC(=O)NCc1ccccc1 1793137928 OHXHTUNYZLUQHH-BBIADKPPSA-N 481.557 -0.045 50 20 JBGD Cc1cc(C(=O)NCC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cnccc2C(=O)NN)no1 1798440549 POHOKTVKTXTQAZ-BTTYYORXSA-N 455.475 -0.337 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN1C(=O)CSC1=S)C2 1798442927 XJPBXLHLCWCNDW-ZSBIGDGJSA-N 462.557 -0.203 50 20 JBGD CCOC(=O)N1CCC(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(=O)NN(C)C)C3)CC1 1801990575 SRFBFJWRPDUXIG-XEMDLRDOSA-N 467.567 -0.183 50 20 JBGD Cc1cn(CC(=O)N2CC[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)c(=O)nc1O 1807373327 BLZYILPZWVGNJT-GHTZIAJQSA-N 491.313 -0.648 50 20 JBGD NC(=O)c1nccnc1C(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1811184085 FBUBCHPJSBAOIY-JXFKEZNVSA-N 474.286 -0.716 50 20 JBGD CCS(=O)(=O)CC(=O)N[C@@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815349969 BBRHVEBRHVTLNT-CYBMUJFWSA-N 451.335 -0.517 50 20 JBGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1)[C@@H](O)N1CCOCC1 1819444649 ZDXPPGOIDJRKOO-LAUBAEHRSA-N 457.296 -0.954 50 20 JBGD CCS(=O)(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1831330271 QKTQRHJGGGEHJH-XUJVJEKNSA-N 474.349 -0.539 50 20 JBGD CC(=O)N(C)CCC(=O)NC1CCN(C2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1 1833671421 XJEDMQVGVHYNAF-UHFFFAOYSA-N 452.600 -0.201 50 20 JBGD O=C(CCN1CCOCC1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1835447995 IDTGDBYXXNBUSG-WBVHZDCISA-N 452.321 -0.144 50 20 JBGD N[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1)c1cccc(Cl)c1 1835731080 SQZQECXEYHHOIX-REWPJTCUSA-N 487.749 -0.210 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)c3ccc(Cl)nc3F)C2)C1 1835927548 SNYDCAVOSGETNB-OAQYLSRUSA-N 477.685 -0.062 50 20 JBGD Cc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)n(C(F)F)n1 1835931097 GATNCJVLDVVQMR-OAQYLSRUSA-N 478.261 -0.350 50 20 JBGD C[C@@H](NC(=O)c1ccccc1)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835934125 LJOADSMFFUEMGC-IQGLISFBSA-N 495.341 -0.745 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCC(F)(F)C3)C2)C1 1835934572 ZOMDSYGEKLJIGE-JXFKEZNVSA-N 452.263 -0.128 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)c3cncn3-c3ccncc3)C2)C1 1835935209 HJBXJPRUZZDZBA-DEOSSOPVSA-N 491.313 -0.669 50 20 JBGD O=C(/C=C/C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2)c1cccs1 1835936950 LQIUUWCXDIRDOR-BMOUEYTDSA-N 484.339 -0.063 50 20 JBGD O=C(C[C@@H]1CNc2ccccc2O1)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1837351645 UATLVUVDIQRMEK-NLFFAJNJSA-N 495.341 -0.300 50 20 JBGD C[C@H](C(=O)N1CCC(OC2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1)N1CCN(C)CC1 1837921763 YMAJAVJSSZWWMN-LJQANCHMSA-N 486.422 -0.386 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCC(OC2CCN(C(=O)c3cnc(O)nc3O)CC2)CC1 1838077946 DADJUBMHYITUBY-UHFFFAOYSA-N 464.523 -0.127 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)c1cc(-n3ccnc3)ccn1)CCO2 1838794065 AEIVATASIUAOHT-DEOSSOPVSA-N 491.313 -0.669 50 20 JBGD C[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](F)Br)CCO2)C1)N1CCN(C)CC1 1839202106 VBUCOLIDMPQSIN-DAYGRLMNSA-N 465.364 -0.231 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn(C)c3Cl)C2)C1 1840184822 BBGRYGIEYMXVMU-IBGZPJMESA-N 456.931 -0.484 50 20 JBGD Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)s1 919889446 MDCUVYOUEDYCLN-VXGBXAGGSA-N 450.564 -0.273 50 20 JBGD COCc1oncc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2 1778342257 KZEFOWYFSDYNIV-DENIHFKCSA-N 457.292 -0.058 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)c3cccc4c3NC(=O)C4=O)C2)C1 1778710625 FIEOWZOBXULYLS-QHCPKHFHSA-N 478.465 -0.423 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc4ncnn4c3)C2)C1 1778740476 WMXJRJWFHSEYBM-OAQYLSRUSA-N 450.459 -0.515 50 20 JBGD C=CC(=O)N[C@@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cnccc1C(=O)NN)C2 1779533807 HDOYNIYBTTZMJP-WTBBCNCBSA-N 458.519 -0.497 50 20 JBGD CN(CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](N)CN)C2)NC(=O)NCc1ccccc1 1780559531 PWCDKNYHGBQELR-YCRNBWNJSA-N 475.594 -0.868 50 20 JBGD CC(=O)Nc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cnccc4C(=O)NN)C[C@@H]32)ccn1 1787774437 GBEKGWBIFGIURI-SNRMKQJTSA-N 481.513 -0.054 50 20 JBGD Cc1cnc2c(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)c5cccc(B(O)O)c5)C[C@@H]43)cnn2c1 1788335991 OBVOFBPECOGAQG-VDGAXYAQSA-N 463.303 -0.375 50 20 JBGD C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN(C)NC(=O)NCc3ccccc3)[C@H]2C1)n1cnnn1 1789726564 AFAQIUOWHVWBRQ-GTAWCEEGSA-N 499.576 -0.440 50 20 JBGD C[C@@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(=O)n4[nH]nnc4n3)C[C@@H]21 1791057830 QRJWSUYEPKHVET-WDCWCFNPSA-N 454.285 -0.811 50 20 JBGD COC(=O)[C@@H]1CC=CC[C@H]1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1791233622 CUALHZWYGPNIOU-MYGYKHERSA-N 470.331 -0.285 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]c3c(F)cccc13)C2)c1ccc(B(O)O)cc1 1795734725 XIAZYSUBPDDBPN-ZSBFGKGUSA-N 452.251 -0.101 50 20 JBGD O=C(NCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1)c1ccccc1 1795736756 FMCWDYKSAFTATE-HATOLVCRSA-N 465.315 -0.610 50 20 JBGD CN(C)c1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)c1 1798538402 GIVGBADYVQJAOY-VPTLXERWSA-N 482.302 -0.142 50 20 JBGD CN1CCN(C2(C(=O)N3CC[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3c3cccnc3)CC2)CC1 1807363133 ATKVZHZMUIFDLH-JTHBVZDNSA-N 491.401 -0.139 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@H]1CCN(C(=O)CNC(N)=O)[C@@H]1c1cccnc1 1808425212 ZKSUZLYATOYAJB-PRBGLLFOSA-N 454.491 -0.110 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)CCN2C(=O)C=CC2=O)[C@@H]1c1cccnc1 1813068072 IHCGSUJYAYIKJV-GAJHUEQPSA-N 470.530 -0.225 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)CNCP(=O)(O)O)[C@H]1c1cccnc1 1813070818 LEJAGNQTQHCPIS-KXBFYZLASA-N 470.467 -0.815 50 20 JBGD Cc1cn(CC(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2ccc(B(O)O)cc2)CC3)c(=O)nc1O 1827990285 OUWXFTMEXKVCFA-CQSZACIVSA-N 483.315 -0.680 50 20 JBGD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830738533 QTMQJCKHGWXMNO-FFKDTVBMSA-N 456.879 -0.127 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1COc3ccccc3O1)CCO2 1832493515 RPEIKOPBUAGLGX-ZJSXRUAMSA-N 482.298 -0.724 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CNC(=O)c1cccs1)CCO2 1833032961 DPMIUKOQDGSTKZ-OAQYLSRUSA-N 481.575 -0.693 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1835100204 GKKFHZCHWOMYHM-XMMPIXPASA-N 463.494 -0.193 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)c3cc(Cl)ccn3)C2)C1 1835937996 DNDNAVAFPZMPHN-OAQYLSRUSA-N 459.695 -0.201 50 20 JBGD CC(C)[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837456854 QYPNXLKZWKRQBG-OXQOHEQNSA-N 451.549 -0.291 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(F)cc([N+](=O)[O-])c1)CCO2 1839352948 AKQJGRPJBGGJAW-JOCHJYFZSA-N 487.249 -0.203 50 20 JBGD C[C@@H](Cc1ccccn1)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1840331658 CPQOCRFSYVWGFG-MHECFPHRSA-N 467.331 -0.290 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCCC12CN(C(=O)[C@H](CCO)NC(=O)OC(C)(C)C)C2 1846383878 DRMZVDUIRAQXAI-HNNXBMFYSA-N 455.556 -0.162 50 20 JBGD Cn1ncc2c(O)nc(CCC(=O)OCC(=O)NNC(=O)[C@H]3COc4ccccc4O3)nc21 728314287 NIZNGNTVBWKCQZ-CQSZACIVSA-N 456.415 -0.468 50 20 JBGD COCCNS(=O)(=O)c1cccc(C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c1 728323186 KQFOFKLHICSHIE-SFHVURJKSA-N 493.494 -0.245 50 20 JBGD CNS(=O)(=O)c1cc(C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)ccc1OC 787533852 OGGZNDJSIXBSGM-MRXNPFEDSA-N 479.467 -0.253 50 20 JBGD CCn1c(=O)c(C(=O)/C(C#N)=C\c2cn(C)c(=O)n(C)c2=O)c(N)n(Cc2ccccc2)c1=O 884047975 SUANVJUYBPPLDN-GDNBJRDFSA-N 462.466 -0.152 50 20 JBGD CC(C)NC(=O)C(=O)NNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1I 916040840 KNFOPGVGYJAQDB-UHFFFAOYSA-N 482.300 -0.173 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CN(C)C(=O)C(=O)O)C1 1781541809 ONWPOPZDBWBPTA-VZNSRISSSA-N 490.517 -0.823 50 20 JBGD COC(=O)c1ccc(C(=O)N2CC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)c([N+](=O)[O-])c1 1782090148 PELBAKRQCOOONW-QHCPKHFHSA-N 497.269 -0.182 50 20 JBGD C[C@H](NC(=O)c1cnccn1)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCC(=O)NN(C)C)C1 1782214078 BGVKZNGNWVVHTE-PRCFCKQXSA-N 489.577 -0.518 50 20 JBGD CCOC(=O)N1CCC(C(=O)N2CC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)CC1 1785373294 QOMXURUPCMLPEH-QHCPKHFHSA-N 473.335 -0.322 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C3(Br)CC3)C[C@@H]21)c1cccc(B(O)O)c1 1786984805 LFIYNSLAHVUHIW-BPUTZDHNSA-N 451.126 -0.113 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnn4c3OCCC4)C[C@@H]21)c1cccc(B(O)O)c1 1786985102 MIXPWHJCDIVPKK-SNRMKQJTSA-N 454.292 -0.748 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nc4ncccn4n3)[C@H]2C1 1787937309 MGICZVPYZPIKKG-RCBQFDQVSA-N 465.474 -0.970 50 20 JBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1ccc(O)cc1)C2 1797748439 AUMDVTLDTIKXCI-VTEUUUEMSA-N 455.471 -0.327 50 20 JBGD Cc1nn(C)c(C)c1CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797754496 ZYEQRKNPVHQFFM-YVWYUNDQSA-N 455.519 -0.519 50 20 JBGD C[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C)N1CSCSC1 1801011343 HWLIGBDCWHLSDR-AFIMGQEJSA-N 459.638 -0.008 50 20 JBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(N2C(=O)C=CC2=O)cc1 1801868420 RCIDTUYSOZQMBL-GPVSGQMNSA-N 483.525 -0.308 50 20 JBGD C[C@](O)(CC(=O)O)CC(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1813065709 PLDHESGKZLIMNH-ODOSVJCGSA-N 469.303 -0.303 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)C[C@H]2NC(=O)NC2=O)CC1 1831872002 YQVDLSWNRGHXAE-HZPDHXFCSA-N 450.540 -0.423 50 20 JBGD O=C(CCN1C(=O)c2ccccc2C1=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1832531656 RRIAQXQAUHMIFH-VGOFRKELSA-N 479.917 -0.271 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)c3cc(CO)on3)CC2)CC1)c1ccc(B(O)O)cc1 1834798328 IPULBGOMCRIRHG-UHFFFAOYSA-N 456.308 -0.654 50 20 JBGD Cc1nccn1CC(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834798836 DHRGEZBEPADMTR-UHFFFAOYSA-N 453.352 -0.243 50 20 JBGD C[C@H](Cn1cncn1)C(=O)NC1CCN(C2CCN(C(=O)c3cnccc3C(=O)NN)CC2)CC1 1835810378 OETDIUDCDLTSGH-MRXNPFEDSA-N 483.577 -0.202 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC(c4ccccc4)=NO3)C2)C1 1835927312 NGNTYPWRJBJAFD-RCZVLFRGSA-N 493.325 -0.370 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)c3cccc4c[nH]nc34)C2)C1 1835928615 SNSOBLTXFDVEPH-HSZRJFAPSA-N 464.287 -0.374 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)c3ccnn3-c3ccccc3)C2)C1 1835937058 MPJGSEZVZQIWMM-VWLOTQADSA-N 490.325 -0.064 50 20 JBGD COc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)c(F)c1 1835939004 BAYWIPZAPJYVAW-HSZRJFAPSA-N 472.278 -0.102 50 20 JBGD Cn1ncc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)c1Cl 1838307387 JAHMQCIUOVAYPC-FQEVSTJZSA-N 462.699 -0.863 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnn(C)c1Cl)CCO2 1838310818 CZUKSICDHUUEBP-LJQANCHMSA-N 456.931 -0.484 50 20 JBGD CCN(C)[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C2)C1 1839640363 ZSGHVMRMCHFXGK-KTUMRIBQSA-N 462.551 -0.083 50 20 JBGD O=C(CCBr)N1CCOC[C@@]2(C1)CN(C(=O)COc1ccc(O)nn1)CCO2 1839668734 LWVKKBPGQQLAOX-QGZVFWFLSA-N 459.297 -0.198 50 20 JBGD O=C(COc1ccccc1)NCC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 15524945 HCKNMBKYWQOMBG-UHFFFAOYSA-N 476.511 -0.336 50 20 JBGD O=C(Cn1ccc(=O)[nH]c1=O)NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 15664629 DYZPXFYREMRIRZ-UHFFFAOYSA-N 457.468 -0.524 50 20 JBGD COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc1 916041619 RCGBVPNLTQOXFN-OAHLLOKOSA-N 477.561 -0.834 50 20 JBGD O=C(COC(=O)CN1C(=O)c2ccccc2S1(=O)=O)NNC(=O)[C@H]1COc2ccccc2O1 921178265 RVLZISBZUWHNHY-OAHLLOKOSA-N 475.435 -0.638 50 20 JBGD CC(=O)N1CCN(C(=O)CCNC(=O)NNC(=O)c2sc(N3CCOCC3)nc2C)CC1 1318347615 LSSIYTIVRNFULD-UHFFFAOYSA-N 467.552 -0.687 50 20 JBGD C[C@H]1Oc2ccc(C(=O)N3CC[C@]4(CN(C(=O)c5ccc(B(O)O)cc5)CCO4)C3)cc2NC1=O 1780175287 GIKWBAGUILHFTA-OYLFLEFRSA-N 479.298 -0.157 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](O)NC(=O)OC(C)(C)C)C2)C1 1781858273 SMFNOKKZTQHSJZ-ZLMOUHMRSA-N 492.533 -0.207 50 20 JBGD COc1ccc([C@@H](O)C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)cc1 1783770448 IEBKTVRGTQKAAS-AGOPTVSRSA-N 468.315 -0.298 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnn4ncccc34)C[C@@H]21 1788610178 IDQZVGBPKHWDCH-IXDGSTSKSA-N 464.486 -0.365 50 20 JBGD CC(C)(C)OC(=O)N1[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)C[C@@H]2C[C@@H]21 1795732832 NVFGSBJGYRGALZ-ICLLYECISA-N 499.373 -0.033 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(CO)c(F)c1 1801901667 YFYWVTKZXDOEGN-CCWDJLKJSA-N 457.462 -0.167 50 20 JBGD O=C(CN1CCCC1=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1806921982 YLMYOUDNCWKIHO-XMSQKQJNSA-N 450.304 -0.297 50 20 JBGD CC[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1)N(CC)CC 1831674602 JJAQYESHWUMSSF-GCJKJVERSA-N 455.600 -0.064 50 20 JBGD Cc1cc(C(=O)NCC(=O)N2CCC(N3CCC(NC(=O)c4ccc(B(O)O)cc4)CC3)CC2)no1 1834798563 LGBKNRYXCDVRIU-UHFFFAOYSA-N 497.361 -0.722 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)c1cccn3cncc13)CCO2 1837109337 HBYGBECEWLNHCN-QHCPKHFHSA-N 464.287 -0.602 50 20 JBGD CN(CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1)NC(=O)NCc1ccccc1 1839054330 UOLKQBQXSKQPNF-AVRDEDQJSA-N 497.980 -0.611 50 20 JBGD Cc1cnn([C@H](C)C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)c1 1840403770 OYYMORSNKOJVCZ-VGSWGCGISA-N 456.308 -0.797 50 20 JBGD C[C@@H](Br)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 1848150085 GHKOROPHQAAHRF-WOPDTQHZSA-N 467.324 -0.581 50 20 JBGD O=C(NNC(=O)c1cc(I)ccc1-n1cnnn1)C(=O)N1CCCC1 748240002 OWESDQQIYOROFT-UHFFFAOYSA-N 455.216 -0.350 50 20 JBGD CCOc1ccc(S(=O)(=O)NCC(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)cc1OCC 751360935 HDZWVMHXOVGJRU-LBPRGKRZSA-N 478.549 -0.720 50 20 JBGD CN(CC(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1)S(=O)(=O)c1ccccc1 914823930 SRFGQXPKGGAIBU-KRWDZBQOSA-N 463.468 -0.162 50 20 JBGD COCCn1cnc2c1c(=O)n(CC(=O)NNC(=O)[C@@H](C)OC)c(=O)n2Cc1ccccc1 917705256 YENJQBDWZVGMLT-CQSZACIVSA-N 458.475 -0.763 50 20 JBGD CNS(=O)(=O)c1ccc(Br)c(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)c1 1115818495 CIRJYICYOCMJNZ-QMMMGPOBSA-N 454.324 -0.447 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CC[C@H](N)C(N)=O)C2 1778090967 AGIBZTUHKZBQFD-ACEPNWDCSA-N 475.550 -0.773 50 20 JBGD COc1ccc([C@@H](O)C(=O)N2CCO[C@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)cc1 1779029176 MJEWMEQPMFKPJQ-XXBNENTESA-N 469.498 -0.129 50 20 JBGD Cc1ccc(=O)n(C(C)(C)C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2ccc(B(O)O)cc2)C3)n1 1779506852 XZPVSNABLDAQEK-CJFMBICVSA-N 496.373 -0.206 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1C[C@H](O)CN1)CCO2 1780098266 HHGKUSWYJQRIKQ-HZUJVAHNSA-N 462.459 -0.314 50 20 JBGD O=C(CN1CCCCC1=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2 1782104464 VPCPHYDJKDHDRD-AUSIDOKSSA-N 457.336 -0.494 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1)CCO2 1783939576 JUFOQQYHJXNBNO-UZUQRXQVSA-N 497.593 -0.175 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@@](C)(O)CC(=O)O)C[C@@H]21 1787508115 GXPMCOHRSYONPG-IHRCTHJSSA-N 477.518 -0.284 50 20 JBGD O=C1NCCn2nc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)[C@H](F)Br)[C@H]4C3)cc21 1789922476 KMXGHXFOJYOYNV-NUZBWSBOSA-N 458.288 -0.090 50 20 JBGD C[C@@H](Oc1ccccn1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1791621964 YEFCJMJWYWVWCV-LQJIQPLVSA-N 453.304 -0.178 50 20 JBGD COc1ccc(OCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)cc1 1792725115 AXKNHGUSOMRXNE-FAQVEIGNSA-N 454.288 -0.343 50 20 JBGD C[C@H](NC(=O)c1cnccn1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(B(O)O)cc1)C2 1798550418 RHVKOFXWZFTATE-RUGDWHBFSA-N 451.292 -0.773 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1ccc([N+](=O)[O-])c2c1OCO2 1798626475 UDKANBHATBDUSS-ZSBFGKGUSA-N 483.242 -0.480 50 20 JBGD C[C@@H](Br)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cn1cnc3c1c(=O)n(C)c(=O)n3C)C2 1801958762 LJRAFZWCIMAMAH-FVCCEPFGSA-N 481.351 -0.145 50 20 JBGD C[C@@H](C(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1)N1CCN(C)CC1 1807364628 GONKCCDNWPSLTP-AVCGJXAMSA-N 479.390 -0.283 50 20 JBGD C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807366922 VXWBDWQRRAFCML-SFAKIEOFSA-N 462.315 -0.061 50 20 JBGD Cc1cc(C(=O)NCC(=O)N2CC[C@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)no1 1807375716 PNBMSCQMIQXUNH-XMSQKQJNSA-N 491.313 -0.193 50 20 JBGD CC(=O)NCCC(=O)NC[C@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1812661732 KCYTWADICBZRHO-OXQOHEQNSA-N 453.503 -0.074 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)CNCP(=O)(O)O)[C@@H]1c1cccnc1 1813070816 LEJAGNQTQHCPIS-DNVCBOLYSA-N 470.467 -0.815 50 20 JBGD CS(=O)(=O)CCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1827204028 IQMLZLCEDFJAMR-ZDUSSCGKSA-N 451.335 -0.517 50 20 JBGD CCOC(=O)N1CCC(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)CC1 1830737313 CZZBSFQXZLXKQT-OXQOHEQNSA-N 461.943 -0.089 50 20 JBGD C[C@H](C(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1)N1CCN(C)CC1 1834798322 HDEATTKYBXNMLU-LJQANCHMSA-N 485.438 -0.813 50 20 JBGD N[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1)c1cccc(Cl)c1 1835731078 SQZQECXEYHHOIX-NZQKXSOJSA-N 487.749 -0.210 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)c3cnc(C(F)(F)F)cn3)C2)C1 1835928048 CJPWWACSRKPPKG-FQEVSTJZSA-N 494.235 -0.441 50 20 JBGD C[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1)n1cccc1C=O 1835935535 JQRIOUABOKHXFN-SBUREZEXSA-N 469.303 -0.688 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)c3ccnc4ncccc34)C2)C1 1835939578 UEDOENKBFDORHF-XMMPIXPASA-N 476.298 -0.307 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)C(Cl)(Cl)Cl)C2)C1 1835940173 XMOLADAFKZAPFZ-MRXNPFEDSA-N 465.526 -0.193 50 20 JBGD Cn1cccc(C(=O)N2CCC(OC3CCN(C(=O)c4ccc(B(O)O)cc4)CC3)CC2)c1=O 1836969395 DILJARBWFKMOIO-UHFFFAOYSA-N 467.331 -0.009 50 20 JBGD COC[C@@H](NC(C)=O)C(=O)N1CCC(OC2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1 1838433858 DWBUXMLMHVRTTF-LJQANCHMSA-N 469.583 -0.491 50 20 JBGD COc1ccccc1OCC(=O)NNC(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 916516123 FYLRPLPCUKZFHX-UHFFFAOYSA-N 492.558 -0.049 50 20 JBGD Cn1c(=O)c2cc(C(=O)NNC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)n(C)c2n(C)c1=O 919692618 UDLKVLCEEFMEJR-UHFFFAOYSA-N 488.526 -0.565 50 20 JBGD CC(C)(C)OC(=O)N1CC[C@H](O)[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](O)CCl)C1 1792981119 FLZCWQGNZYKTTD-FQMQPWHVSA-N 475.970 -0.206 50 20 JBGD CC(C)(C)OC(=O)N1CCN(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](O)CCl)CC1 1792983392 KJEKNEDZOUHWAE-DFGXFYAUSA-N 474.986 -0.272 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(N3CCOCC3)cc1)C2)c1cccc(B(O)O)c1 1795738838 IDAWUVHQGUEBMD-JHDGKUDLSA-N 479.342 -0.280 50 20 JBGD CN[C@H](CC(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1)C(=O)O 1807361627 BSWAKPGJYZAPLP-YVWKXTFCSA-N 454.292 -0.856 50 20 JBGD CC(C)(C)OC(=O)N1CC(=O)C[C@H]1C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](O)CCl)CCO2)C1 1830719478 DJBHVJMTVOXUFD-GCKMJXCFSA-N 489.953 -0.379 50 20 JBGD C[C@@H](CS(C)(=O)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1 1831461725 ZXXWQIWJVJCXLA-YJBOKZPZSA-N 450.630 -0.025 50 20 JBGD O=C(c1ccc(N2CCOCC2)cn1)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1833614841 GZANNLZUUUHACN-NQIIRXRSSA-N 468.938 -0.412 50 20 JBGD COCC(=O)N1CCO[C@@]2(COCCN(C(=O)CN(C)NC(=O)NCc3ccccc3)C2)C1 1834974849 PGEDGEFYHPJBEP-JOCHJYFZSA-N 463.535 -0.565 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](N)CCC(N)=O)CC2)CC1 1835118255 KTTWAYXRGVFPKE-UEYIPHHSSA-N 488.593 -0.715 50 20 JBGD C[C@@](Cl)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)CNCP(=O)(O)O)CCO2)C1 1835540966 JXRZVRYXNFGFTL-HUUCEWRRSA-N 462.267 -0.596 50 20 JBGD Cc1ccccc1OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835935414 DSCSXVKVOCELGB-XMMPIXPASA-N 468.315 -0.176 50 20 JBGD Cn1ncc(C(=O)N2CCOC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)c1Cl 1835938105 LKNUJQLRHJNDLA-FQEVSTJZSA-N 462.699 -0.863 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1835939601 UXQZHOUKWCTKBV-YOEHRIQHSA-N 459.077 -0.873 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3ncc(F)cc3F)C2)C1 1837456325 KXDMQACAGLPWJN-OAQYLSRUSA-N 476.440 -0.258 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCC(OC2CCN(C(=O)C3=NNC(=O)C3)CC2)CC1 1838102936 HEKVOKIBIPFRLK-ZVHZXABRSA-N 471.518 -0.005 50 20 JBGD CC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4c3CS(=O)(=O)C4)C2)C1 1839144162 SAAZTCQTRMHDRZ-SCLBCKFNSA-N 460.940 -0.075 50 20 JBGD CCNC(=S)NCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1839655078 DCLVSNJJRKTXCL-DOMZBBRYSA-N 455.350 -0.383 50 20 JBGD CCS(=O)(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](Cl)COC)CCO2)C1 1840150744 QHRLZPJCBGSTFL-CPUCHLNUSA-N 455.961 -0.976 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(CN(C(=O)C[C@](C)(O)CC(=O)O)CCO2)C1 1840179256 ILQLDJQAJZWUFT-VJBYBGNYSA-N 493.517 -0.807 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cnc4ccccn34)C2)C1 1840182661 PKHRFQDSXNYMBX-HSZRJFAPSA-N 472.546 -0.294 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(CO)c(F)c1)CCO2 1840783192 XWHBUQIZOVQLEM-HSZRJFAPSA-N 472.278 -0.618 50 20 JBGD Cn1cnnc1SCc1ccc(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 26751213 JEADQRUUXPLYFW-UHFFFAOYSA-N 483.514 -0.684 50 20 JBGD COc1cc2ncn(CCCC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c(=O)c2cc1OC 729274757 CCJDYMJQBIABNR-NSHDSACASA-N 455.493 -0.721 50 20 JBGD C[C@H]1CN(S(=O)(=O)c2cc(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)ccc2Cl)C[C@@H](C)O1 729276199 YWNMVLKEJTZNHD-TUAOUCFPSA-N 496.995 -0.163 50 20 JBGD Cc1c(NC(=O)CSCC(=O)NNC(=O)CN2CCCC2=O)c(=O)n(-c2ccccc2)n1C 789856642 JBUSWJBYZQCXOP-UHFFFAOYSA-N 474.543 -0.074 50 20 JBGD O=C1CN(C(=O)c2ccc(CNC(=O)NNC(=O)[C@@H]3COc4ccccc4O3)cc2)CCN1 916391925 NIRUPSYHJUUYIU-SFHVURJKSA-N 453.455 -0.071 50 20 JBGD CCn1cnc2c1c(=O)n(CC(=O)NNC(=O)CCn1ccccc1=O)c(=O)n2Cc1ccccc1 918017308 SFLBWASDKQFMTG-UHFFFAOYSA-N 491.508 -0.173 50 20 JBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)c1 921234217 WHZMRGFHTGVKBY-UHFFFAOYSA-N 453.502 -0.805 50 20 JBGD Cc1ccn2c(=O)c(C(=O)N3CC[C@]4(CN(C(=O)c5ccc(B(O)O)cc5)CCO4)C3)cnc2c1 1777995714 OXBUKRDWBPVSJM-XMMPIXPASA-N 476.298 -0.560 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2nc[nH]c2[N+](=O)[O-])C1 1778063390 KOLYDZUEQRMMTB-BFUOFWGJSA-N 451.484 -0.182 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)c3cc(-c4ccccn4)[nH]n3)C2)C1 1779627730 JDXKDTWKERIWII-HSZRJFAPSA-N 461.287 -0.091 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)c3cnc4snnc4c3)C2)C1 1780070148 TZYDJRKPVABIQI-HXUWFJFHSA-N 453.289 -0.477 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)c3ccc(-n4c(O)nnc4O)cc3)C2)C1 1780201294 HAMHTFZWHJHBSA-HSZRJFAPSA-N 493.285 -0.884 50 20 JBGD C[C@H](NC(=O)c1ccccn1)C(=O)N1CCO[C@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783937083 OPXAYIPOFXQDBL-AOMKIAJQSA-N 460.535 -0.597 50 20 JBGD CC(=O)N(C)[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C(C)=N/NC(=O)c3ccc[nH]3)[C@H]2C1 1787508567 BCLCMLKQGPENOS-LAYRSHILSA-N 460.535 -0.033 50 20 JBGD Cn1ncc(Br)c1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1787776995 ZJKZWLBMRRNGOI-QRTARXTBSA-N 491.151 -0.231 50 20 JBGD COc1ncc(Cl)cc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1792401312 IWVGKPXQSPLUTG-ZSBFGKGUSA-N 459.695 -0.060 50 20 JBGD C[C@@H](O)[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2 1792780132 BIZDTTJEZMGDMB-WVIAUDPISA-N 489.573 -0.872 50 20 JBGD Cc1cc(C)n2ncc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)c3cnccc3C(=O)NN)c2n1 1797750587 KIDLISUYRRFGSN-CCWDJLKJSA-N 478.513 -0.138 50 20 JBGD COCCOCCOCCOCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2 1799383708 FOQVNHXZDWDSCY-SFNKJDCFSA-N 466.959 -0.738 50 20 JBGD O=C(NC[C@H]1CCN(C(=O)CCN2CCOCC2)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807362336 GNPXYALUMBOSLN-NFBKMPQASA-N 466.347 -0.197 50 20 JBGD O=C(NC[C@@H]1CCN(C(=O)CN2CCOCC2)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807365982 XFDWHXMJSOHKCP-UGKGYDQZSA-N 452.320 -0.587 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1CCN(C(=O)CN2CCOCC2)[C@H]1c1cccnc1 1810297737 DAOADYJUSJJCHI-UWJYYQICSA-N 467.530 -0.268 50 20 JBGD O=C(NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1)[C@@H]1CCCS1(=O)=O 1812495668 BRNWNYSZBYTVNI-IHPCNDPISA-N 471.344 -0.342 50 20 JBGD CCS(=O)(=O)CC(=O)N1CC[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1813067769 DBJYMCWQAJFEBE-JXFKEZNVSA-N 453.565 -0.105 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CN1CC(=O)NC1=O)CC2 1817277081 HTVLTPVVSJTYOX-VCEHOBFASA-N 486.514 -0.259 50 20 JBGD NCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1828956312 IJWJIHPPEVWWRC-DEOSSOPVSA-N 480.330 -0.609 50 20 JBGD CCCNC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1831200754 NIZKPMNQDNRJFU-JOCHJYFZSA-N 476.534 -0.939 50 20 JBGD CCC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(=O)n4[nH]nnc4n3)C2)C1 1831645688 FHEAIJGEBJQNJF-KPZWWZAWSA-N 453.887 -0.710 50 20 JBGD CC[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1)N(CC)CC 1831663615 LDIHUTCIONVISY-REWPJTCUSA-N 461.368 -0.443 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1)[C@H](O)c1ccco1 1833090106 CNDVYWVVCJYCAB-OAQYLSRUSA-N 455.320 -0.122 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cncc(F)c3)CCO2)C1 1834356889 AACGRIIZTTYHGE-OAQYLSRUSA-N 458.450 -0.397 50 20 JBGD O=C(Cn1ccccc1=O)NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834823173 OVQSGBZEFDPFMC-UHFFFAOYSA-N 466.347 -0.587 50 20 JBGD COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)cc1C 1835927194 LEPPPOMEVXIRPL-VWLOTQADSA-N 482.342 -0.004 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)c3ncc(Cl)cn3)C2)C1 1835935300 NMERHJZAYAYBGV-HXUWFJFHSA-N 460.683 -0.806 50 20 JBGD CCc1ccnc(C(=O)N2CCOC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)c1 1835936002 ZSVGRPMNEMLFPJ-QHCPKHFHSA-N 453.304 -0.292 50 20 JBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](Cc3cnc[nH]3)NC(C)=O)C2)C1 1840156036 MJEITBXXMLSMIF-SQGPQFPESA-N 471.942 -0.833 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4cccn4cn3)C2)C1 1840184434 MFLRYLUITNIWEN-QFIPXVFZSA-N 458.519 -0.223 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc4ncccn34)C2)C1 1840184516 RRRTXNHNDIDHSH-OAQYLSRUSA-N 459.507 -0.828 50 20 JBGD CC(C)(C)OC(=O)N[C@H](CCN)C(=O)N1CCCC12CN(C(=O)c1cnccc1C(=O)NN)C2 1842911685 LUENCQSVJDDLEP-MRXNPFEDSA-N 475.550 -0.256 50 20 JBGD CS(=O)(=O)N1CCC(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)CC1 14232058 VXVMGZAARFYBJE-UHFFFAOYSA-N 474.561 -0.860 50 20 JBGD C[C@@H]1CN(CCC(=O)NNC(=O)CNS(=O)(=O)c2ccc3c(c2)OCCCO3)C[C@@H](C)O1 912918900 GINICMRPQMNZIR-HUUCEWRRSA-N 470.548 -0.227 50 20 JBGD O=C(/C=C/C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2)NCc1ccco1 1779492255 WZJIXJIPHGLUIM-RXMIYNDUSA-N 495.341 -0.041 50 20 JBGD CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1781339349 RYKFPYNQLRWBDH-JPYJTQIMSA-N 491.350 -0.914 50 20 JBGD CN(C)c1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)cn1 1786984227 RRHYQDCFEPICBP-IHPCNDPISA-N 452.320 -0.266 50 20 JBGD COc1cc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)cc(OC)c1OC 1793659259 RJNZDFGUAROPFG-FEJSZKPUSA-N 498.341 -0.162 50 20 JBGD CC(C)(C)OC(=O)N1CC(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)C1 1797750836 RXBOGBTUKLIDSS-JLVBRIDZSA-N 488.545 -0.245 50 20 JBGD O=C1CC[C@@H](C(=O)N2CSC[C@@H]2C(=O)N2CCC3(CCCN(C(=O)[C@@H](O)CCl)C3)CC2)N1 1805525614 AZTMTWYRRGANHD-XHSDSOJGSA-N 487.022 -0.003 50 20 JBGD CC(=O)N1CCN(CC(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(B(O)O)cc3)n[nH]2)CC1 1817471744 LQAYNRXHICHJHM-FQEVSTJZSA-N 482.350 -0.441 50 20 JBGD Cc1cc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)ccn1 1832621810 RDGNICHREFAFTR-DEOSSOPVSA-N 467.331 -0.227 50 20 JBGD COc1cnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C(C)=N/NC(=O)c4ccc[nH]4)C3)C2)cn1 1834528702 XVPYQUNKESICDE-QVGKIPNLSA-N 485.501 -0.311 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4ccccc34)C2)C1 1835937438 WJZCIYUESLLNOR-QHCPKHFHSA-N 464.287 -0.374 50 20 JBGD COc1ccc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)cn1 1837456216 KUNATNYLSLAMMG-XMMPIXPASA-N 498.540 -0.209 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc(O)n4c3CCCC4)C2)C1 1837459451 PLKYVJZWLSVZJJ-HSZRJFAPSA-N 499.528 -0.693 50 20 JBGD C[Si](C)(C)OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnccc1C(=O)NN)CCO2 1837460039 ZQKJWPLJOUNNON-FQEVSTJZSA-N 465.583 -0.393 50 20 JBGD CN1CCN(CCC(=O)N2CCC(OC3CCN(C(=O)c4cccc(B(O)O)c4)CC3)CC2)CC1 1837807037 ZGMZEOCKHVCRRV-UHFFFAOYSA-N 486.422 -0.384 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1[nH]cc3c1CCC3)CCO2 1838453831 RPZOTYAEUXLPQM-QHCPKHFHSA-N 468.514 -0.114 50 20 JBGD O=C1CCc2ccc(C(=O)N3CCO[C@@]4(COCCN(C(=O)c5cccc(B(O)O)c5)C4)C3)cc21 1839528474 CDEIEZKXVVQNEA-RUZDIDTESA-N 478.310 -0.121 50 20 JBGD CC[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNCP(=O)(O)O)C2)C1 1839963222 DXBLQWNTVQWKTF-IUODEOHRSA-N 472.273 -0.659 50 20 JBGD C[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCN3CCN(C)CC3)C2)C1 1840032324 VLBMVZADZJLVJS-VQIMIIECSA-N 461.401 -0.136 50 20 JBGD CC(C)(C)OC(=O)N1CCC(O)(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2cccc(B(O)O)c2)CC1 1847978115 MQFBREVCYMBNBP-OALUTQOASA-N 487.362 -0.056 50 20 JBGD CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc1 9931144 JWXJOPYEZPXTCI-CQSZACIVSA-N 474.561 -0.971 50 20 JBGD CC(C)(C)NC(=O)CCNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 728133960 FVNUHJQGCNJTCB-UHFFFAOYSA-N 455.537 -0.044 50 20 JBGD Cc1csc(CC(=O)NNC(=O)COC(=O)CNS(=O)(=O)c2ccccc2C#N)n1 761130335 SXCBVOIDUQTASR-UHFFFAOYSA-N 451.486 -0.465 50 20 JBGD CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)NNC(=O)CN1CCCC1=O)n2C 920827214 WCZMIHINDKHRLF-UHFFFAOYSA-N 450.521 -0.474 50 20 JBGD CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779029556 UHGUSJZXHHRXLF-KSFYIVLOSA-N 492.533 -0.986 50 20 JBGD C[C@H](C(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1)n1ccccc1=O 1779032543 SBNOCEQPSLICEF-QRQCRPRQSA-N 454.487 -0.449 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]2C1 1784083927 IGIXZKHNAQWIOP-GVRJEKJASA-N 463.959 -0.159 50 20 JBGD O=C(CCBr)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(=O)n4[nH]cnc4n3)C[C@@H]21 1786406109 RHDWWQAKWWKSAW-GVXVVHGQSA-N 453.297 -0.204 50 20 JBGD CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](Cc1ccc(B(O)O)cc1)NC(=O)OC(C)(C)C)C2 1795108546 NAGBQDDHLNQWPY-NZGUISNBSA-N 489.378 -0.198 50 20 JBGD N[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1)c1cccc(Cl)c1 1795734848 ZCBXENNPJNQPQB-JSJNYSNDSA-N 457.723 -0.077 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1ON=C(c2ccccc2)O1 1797643228 JQEWBJVHWKJHBM-JVXPPLNDSA-N 480.481 -0.377 50 20 JBGD CC(C)(C)OC(=O)N1[C@H]2C[C@@H](C[C@@H]2O)[C@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2 1800787421 XFUHBPVIPYJFGU-YBCDSMPPSA-N 487.981 -0.066 50 20 JBGD COCCOCCOCCOCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](Cl)COC)C2 1800849211 PTEHRTGUVWITRJ-ZMMAXQRCSA-N 466.959 -0.474 50 20 JBGD CC[C@H](NC(C)=O)C(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807366291 SQMUHIYEYQXWGB-SESVDKBCSA-N 452.320 -0.004 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1 1813075222 YGNNFTAHCQPTFD-JTSKRJEESA-N 461.567 -0.167 50 20 JBGD O=C(CCN1CCOCC1)Nc1nc2c(s1)C[C@@H](NC(=O)c1cccc(B(O)O)c1)CC2 1814639233 QHTNHQSZFVCGGX-INIZCTEOSA-N 458.349 -0.229 50 20 JBGD CC(C)n1nc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)cc1C(=O)O 1830726425 YOPKKWDHJHLXBD-HNAYVOBHSA-N 458.899 -0.168 50 20 JBGD O=C(CSc1ccncc1)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1832706064 OFJHAPPEYYRGNU-QFIPXVFZSA-N 471.344 -0.376 50 20 JBGD Cc1ccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)cn1 1832901862 FZEWNPCDHGBIFK-XMMPIXPASA-N 467.331 -0.227 50 20 JBGD C[Si](C)(C)OCC(=O)N1CCC(N2CCC(NC(=O)CN3C(=O)CNC3=O)CC2)CC1 1833677687 YAVWZNVBISJOHO-UHFFFAOYSA-N 453.616 -0.039 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)c3cc4ccccn4n3)C2)C1 1835928145 FUOSOAONGLLIJW-QHCPKHFHSA-N 464.287 -0.602 50 20 JBGD Cc1nc[nH]c1CSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835930625 QJYFMHUHINYNJP-QFIPXVFZSA-N 488.375 -0.599 50 20 JBGD O=C(c1cccc(-n2cncn2)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835931856 DYSFYBVOJXIUOG-XMMPIXPASA-N 491.313 -0.669 50 20 JBGD COC(=O)[C@@H]1CCC[C@H](C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)C1 1835934365 QQOILMFTYCEKIV-XLNZFTOWSA-N 488.346 -0.584 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)c3cnnc4ccccc34)C2)C1 1835937179 RHZCNURWWJCOQT-DEOSSOPVSA-N 476.298 -0.307 50 20 JBGD CCOC(=O)N[C@@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)CCBr)C2)C1 1837205320 WHPWXGBMNXVFES-BBRMVZONSA-N 452.302 -0.708 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(F)c1[N+](=O)[O-])CCO2 1839356511 FNVKRGKRYRMNHB-QFIPXVFZSA-N 487.249 -0.203 50 20 JBGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3C(=O)CSC3=S)C2)C1 1840156263 LYEVNZBUATWCKH-PXAZEXFGSA-N 465.981 -0.443 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3COc4ccccc4O3)C2)C1 1840182253 ASJUZVUIUKHXJA-CVDCTZTESA-N 476.530 -0.344 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(-n4cncn4)c3)C2)C1 1840185694 VFEOPXJXNQBMMI-HSZRJFAPSA-N 485.545 -0.290 50 20 JBGD CC(C)(C)OC(=O)N[C@H](CCCNC(=N)N)C(=O)N1CCCC12CN(C(=O)[C@H](O)CCl)C2 1842872448 ZNXGTEJGCCNZCC-ZIAGYGMSSA-N 474.990 -0.054 50 20 JBGD CC(C)(C)OC(=O)N[C@H](C(=O)N1CCCC12CN(C(=O)c1cccc(B(O)O)c1)C2)C(C)(C)O 1847089615 MSEHHCSBXYWNJP-QGZVFWFLSA-N 475.351 -0.152 50 20 JBGD O=C(CNS(=O)(=O)c1ccc(Br)s1)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 749848667 XSQKKNVCGYUMDZ-SSDOTTSWSA-N 475.368 -0.694 50 20 JBGD CCC(=O)N[C@H](C)C(=O)NNC(=O)Cn1c(=O)c2c(ncn2CC)n(Cc2ccccc2)c1=O 920444202 BKVDTLNLJFRCFU-CQSZACIVSA-N 469.502 -0.510 50 20 JBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2)c1nc2ccccn2n1 1777815420 XLUGKLOAGUWXHY-WZONZLPQSA-N 463.303 -0.150 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC[C@@H](N)C(N)=O)C[C@@H]21 1785076523 PGMLHUNNVFESLJ-QMHWVQJVSA-N 490.001 -0.309 50 20 JBGD COc1cc(CCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)ccn1 1785103794 IDFKSCQJKVHIRZ-JBACZVJFSA-N 467.331 -0.004 50 20 JBGD Cn1c(=O)c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)nc2ccccc21 1787974330 FYAAGPYRDNDSED-MDKPJZGXSA-N 490.325 -0.480 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1cc2n(n1)CCCO2 1788351096 YZYHSXQWRHQIHO-IEZWGBDMSA-N 454.292 -0.748 50 20 JBGD O=C(NC1(c2ccc(NC(=O)[C@H](O)N3CCOCC3)cc2)CCC1)c1ccc(B(O)O)cc1 1789554334 CEYTWWUTXIVQRO-QFIPXVFZSA-N 453.304 -0.235 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc(O)n3c1CCCC3)C2)c1ccc(B(O)O)cc1 1795734088 BLHRRNHOMBDRAV-JLVBRIDZSA-N 454.292 -0.878 50 20 JBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc([N+](=O)[O-])c3c1OCO3)C2 1801011861 MJBWXHJJJNVZLE-IVWMJMPLSA-N 477.474 -0.100 50 20 JBGD O=C(NC[C@H]1CCN(C(=O)CCN2CCOCC2)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807362348 GNPXYALUMBOSLN-OFNKIYASSA-N 466.347 -0.197 50 20 JBGD O=C1C[C@H](C(=O)NC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)CCN1 1813134194 WTAOBMFGBRXWEI-YWMUFLPLSA-N 450.304 -0.393 50 20 JBGD Cc1cn(CC(=O)N2CCC(N3CCC(NC(=O)[C@H](O)CCl)CC3)CC2)c(=O)nc1O 1833313665 OWLDLXGLNWMNIY-MRXNPFEDSA-N 455.943 -0.571 50 20 JBGD O=C(O)c1cc(C(=O)NC2CCN(C3CCN(C(=O)c4ccc(B(O)O)cc4)CC3)CC2)ncn1 1833967187 NDKALTWHYVRWAI-UHFFFAOYSA-N 481.318 -0.646 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)c3ccc(Cl)nn3)C2)C1 1835930653 SARXPXJNSPKJQR-HXUWFJFHSA-N 460.683 -0.806 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)c3cc4ncccc4[nH]3)C2)C1 1835939300 LLXMQBWAJDYRCW-HSZRJFAPSA-N 464.287 -0.374 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3COc4ccccc4O3)C2)C1 1837455648 BQMYUTCJEHQKNJ-YKSBVNFPSA-N 497.508 -0.405 50 20 JBGD Cc1ccc(=O)n(C(C)(C)C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)n1 1837655921 GHKIZXXRISDXJL-QRWLVFNGSA-N 456.927 -0.657 50 20 JBGD COc1ccc2[nH]cc(C(=O)N3CCO[C@@]4(COCCN(C(=O)c5cccc(B(O)O)c5)C4)C3)c2n1 1838487966 RTVYQFZFZAGPGM-XMMPIXPASA-N 494.313 -0.365 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)c1cc3ccoc3cn1)CCO2 1839484819 OKCCIWPHDGUYRC-QHCPKHFHSA-N 465.271 -0.109 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1c3c(nn1C)CCC3)CCO2 1839584461 RKIGJMRONHOIRQ-QFIPXVFZSA-N 462.551 -0.648 50 20 JBGD O=C(CCc1cccc(O)c1)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1840265970 JZUOIFJTEICLJM-XMMPIXPASA-N 468.315 -0.225 50 20 JBGD CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cnccc1C(=O)NN 1847511067 HCPQBCQIBVNJFG-HRCADAONSA-N 462.507 -0.614 50 20 JBGD COc1cc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)cc(OC)c1OC 906472910 AOCSFIZIUBJEIB-UHFFFAOYSA-N 492.510 -0.092 50 20 JBGD COC(=O)NCC(=O)NNC(=O)Cn1c(=O)c2c(ncn2CC(C)C)n(Cc2ccccc2)c1=O 919702834 HTIIIUZFDOQRRL-UHFFFAOYSA-N 485.501 -0.433 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc4c(c3)NC(=O)CO4)C2)C1 1778574533 IVRQXAVPCWIVDO-QHCPKHFHSA-N 480.481 -0.227 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)c3ccc([N+](=O)[O-])c4c3OCO4)C2)C1 1780235164 RKWVDUJLVNYFFA-QFIPXVFZSA-N 483.242 -0.239 50 20 JBGD CC(C)(C)OC(=O)NCCOCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1781201231 ATACLLPVXGZFQS-QHCPKHFHSA-N 491.350 -0.649 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1CCc3nc(O)nc(O)c3C1)CCO2 1783933495 MEOVEIHYVDMSIG-FPTDNZKUSA-N 476.534 -0.804 50 20 JBGD O=C(/C=C/C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1)NCc1ccco1 1786981006 KMPLUGVBRJZKFY-AMGBKHEMSA-N 481.314 -0.575 50 20 JBGD C[C@@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc2n(n1)CCNC2=O 1794970872 WTPRXDVOFWPGCD-OHTBPHCPSA-N 454.325 -0.139 50 20 JBGD CCC(=O)N[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN(C)NC(=O)NCc1ccccc1 1799094870 FLSLQPOGWIRDGT-UYZIEWPDSA-N 488.589 -0.163 50 20 JBGD Cc1nn(C)c(C)c1CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1801379008 IUTFZZYITYNTJT-YVWYUNDQSA-N 455.519 -0.519 50 20 JBGD O=C(O)c1cc(C(=O)NC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)ncn1 1804966281 KNDCINDBHMYYKJ-JXFKEZNVSA-N 475.270 -0.117 50 20 JBGD CC[C@H](NC(C)=O)C(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807366273 SQMUHIYEYQXWGB-GIVPXCGWSA-N 452.320 -0.004 50 20 JBGD COC[C@H](NC(C)=O)C(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1810559776 ODYXFBFMNIGVIB-GIVPXCGWSA-N 468.319 -0.768 50 20 JBGD O=C(CCN1C(=O)C=CC1=O)N[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815337290 QYHQDYFVPMWCHI-CQSZACIVSA-N 468.300 -0.636 50 20 JBGD COC[C@@H](NC(C)=O)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1819608711 XCOYNJZNJAQDCC-MSOLQXFVSA-N 457.296 -0.454 50 20 JBGD O=C(COc1ccc(O)nn1)Nc1nc2c(s1)C[C@H](NC(=O)c1cccc(B(O)O)c1)CC2 1824557980 XFJIFNNFEZQRCL-CYBMUJFWSA-N 469.288 -0.377 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(=O)n3[nH]nnc3n2)CC1 1828926519 MBCQUGJZDVQUMU-KRWDZBQOSA-N 494.516 -0.642 50 20 JBGD C[C@H](NC(=O)c1cnccn1)C(=O)N1CCC(N2CCC(NC(=O)[C@H](O)CCl)CC2)CC1 1833312327 LCDBAWAZNLFGIR-KBXCAEBGSA-N 466.970 -0.234 50 20 JBGD C[C@@H](Nc1cnccn1)C(=O)NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1835747230 GHKQOCCFZRBQBF-QGZVFWFLSA-N 480.378 -0.158 50 20 JBGD CC[C@@H](NC)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN(C)NC(=O)NCc3ccccc3)C2)C1 1835913317 YNBCGCKCVCDLBS-HYBUGGRVSA-N 490.605 -0.213 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC(=O)N(C4CCCC4)C3)C2)C1 1835927055 CFSQSJOVDUWWNA-DFBJGRDBSA-N 499.373 -0.773 50 20 JBGD O=C(Cc1ccc(F)c(F)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835935988 ZDDZRKBIBOVTBA-HSZRJFAPSA-N 474.269 -0.043 50 20 JBGD Cc1c(C(=O)N2CCOC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)nc2ccccn12 1835936811 FFQWBLQYKUXNRS-DEOSSOPVSA-N 478.314 -0.294 50 20 JBGD COc1nccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)c1F 1836239218 CIHPYBDFDMNVLD-NRFANRHFSA-N 467.498 -0.328 50 20 JBGD CC(C)n1nccc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837459471 QXTMNAZEDYJPJI-JOCHJYFZSA-N 471.518 -0.154 50 20 JBGD Cc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)o1 1837460343 BXRLMANLJCMUPR-QFIPXVFZSA-N 457.487 -0.101 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCC(OC2CCN(C(=O)CNC(N)=O)CC2)CC1 1838103018 VEYSTFYTTYSOSS-AFUMVMLFSA-N 461.523 -0.213 50 20 JBGD O=C(c1ccc([N+](=O)[O-])c2c1OCO2)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1838626138 IYSULNOQHAMZMT-LIRRHRJNSA-N 471.850 -0.007 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3ccc(O)nn3)CCO2)C1 1839650675 MOKXZQRNDJHNTJ-DZQSVEARSA-N 499.528 -0.295 50 20 JBGD C[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1)n1ccccc1=O 1840185652 RUMRAOHEKNKESW-JTSKRJEESA-N 463.535 -0.761 50 20 JBGD C[C@@H](Oc1ccccn1)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1840427622 MMBUNVFLUWHBBV-VGSWGCGISA-N 463.535 -0.322 50 20 JBGD CC(C)(C)OC(=O)N1CCN(CC(=O)N2CC3(CCCN3C(=O)[C@@H](O)CCl)C2)C(=O)C1 1841354727 RAPHSKIHPIWPTM-AWEZNQCLSA-N 458.943 -0.131 50 20 JBGD CCn1cnc2c1c(=O)n(CC(=O)NNC(=O)c1cnn(C)c1C)c(=O)n2Cc1ccccc1 10126658 MNVSJEPRWQNOKW-UHFFFAOYSA-N 464.486 -0.069 50 20 JBGD CNC(=O)c1ccc(S(=O)(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)cc1 15756396 PFNSPRFOPUKDSX-UHFFFAOYSA-N 454.530 -0.015 50 20 JBGD O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)s1)NNC(=O)c1ccc(-n2cnnn2)cc1 838616745 MPNHGWNWKUXMCL-UHFFFAOYSA-N 492.543 -0.111 50 20 JBGD COCCn1cnc2c1c(=O)n(CC(=O)NNC(=O)[C@H]1CCOC1)c(=O)n2Cc1ccccc1 921203341 ZSSUFJZERQCBIM-INIZCTEOSA-N 470.486 -0.762 50 20 JBGD COC(=O)c1ccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cccc(B(O)O)c2)C3)cn1 1778204947 CGCUBNFKNNUPCK-HYBUGGRVSA-N 481.314 -0.011 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)c3ccc4c(n3)NC(=O)CC4)CCO2)C1 1779030212 KDRRQZHRODAKMD-HSZRJFAPSA-N 479.497 -0.278 50 20 JBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2)c1cc(=O)nc2sccn12 1779987082 WPPWBCCFHAEUGF-WZONZLPQSA-N 496.354 -0.123 50 20 JBGD Cc1cn(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cnccc2C(=O)NN)C3)c(=O)nc1O 1783113697 UZTPFDVCJKTWPM-UZUQRXQVSA-N 499.528 -0.916 50 20 JBGD COC(=O)C12CC(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)c5ccc(B(O)O)cc5)[C@H]4C3)(C1)C2 1786983733 RJBYUTABQZGHBT-KXSMRGEYSA-N 456.304 -0.697 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc(O)n4c3CCCC4)C[C@@H]21)c1cccc(B(O)O)c1 1786983954 HJZPLNVONDBHQS-IEZWGBDMSA-N 468.319 -0.488 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3ccc(O)nn3)C[C@@H]21)c1cccc(B(O)O)c1 1786985222 SIGJUJSTHQBPPP-SNRMKQJTSA-N 454.292 -0.912 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc([N+](=O)[O-])[nH]3)[C@H]2C1 1789389808 BPWCKXUHOMDOSU-PJODQICGSA-N 457.447 -0.172 50 20 JBGD CCOC(=O)O[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21 1790608761 TZQIKBPQHREVLA-OQUILHJVSA-N 463.491 -0.160 50 20 JBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1)c1ccc(-n2c(O)nnc2O)cc1 1796188482 MOFJTKYYZWVVSU-GGPHIMKMSA-N 477.286 -0.076 50 20 JBGD CC[C@H](NC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN(C)NC(=O)NCc1ccccc1 1799095372 PMOVKRFCMTXSDC-IIZPIQPGSA-N 488.589 -0.163 50 20 JBGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cn3c(nc1=O)SCC3)C2 1800977838 YZXUTBBFMOFBLR-HLPPOEQASA-N 456.952 -0.265 50 20 JBGD O=C(CCN1C(=O)C=CC1=O)N1CCCC2(CCN(C(=O)c3cccc(B(O)O)c3)CC2)C1 1806383607 AXVHFNGHIKLPSL-UHFFFAOYSA-N 453.304 -0.474 50 20 JBGD O=C(CN1CCCC1=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1806921978 YLMYOUDNCWKIHO-GCJKJVERSA-N 450.304 -0.297 50 20 JBGD O=C(CCN1CCOCC1)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1806950417 HDIRTZJROPDSQF-NFBKMPQASA-N 466.347 -0.197 50 20 JBGD CCOC(=O)N[C@H](O)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1810094128 JXOZHMYAAYJJDK-ILZDJORESA-N 470.291 -0.855 50 20 JBGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1826085389 QEQFPSROQKUVBR-AWEZNQCLSA-N 459.337 -0.578 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)c1nc(Cl)ccc1F)CCO2 1833243841 ZZWMIDKNJYHGHW-OAQYLSRUSA-N 477.685 -0.062 50 20 JBGD CN(CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1)C(=O)OC(C)(C)C 1835210313 LNGWIUXDAPKNOK-QHCPKHFHSA-N 491.350 -0.697 50 20 JBGD C[C@H](NC(=O)c1cnccn1)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](O)CCl)CC2)CC1 1835794912 AKOXWFJBIVGRSN-KSSFIOAISA-N 466.970 -0.234 50 20 JBGD CC(C)N1CCC[C@H]1C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835933843 HKJOUSHJNOKOMV-REWPJTCUSA-N 459.352 -0.691 50 20 JBGD CC(C)n1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)n1 1838789301 CJFQQOZHBIGTIJ-NRFANRHFSA-N 450.540 -0.093 50 20 JBGD O=C(/C=C/c1cccc(O)c1)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1839924954 PQCJZZINJULUSM-PRSVDJLGSA-N 466.299 -0.145 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(CN(C(=O)CC3(O)CCC3)CCO2)C1 1840593603 WUTQXKGRXQGQAL-OLCUMFGGSA-N 461.519 -0.118 50 20 JBGD O=C(NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)C1=CN2CCS(=O)(=O)N=C2C=C1 17515005 DPSDDTLCZAIHTJ-UHFFFAOYSA-N 479.540 -0.270 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CC(=O)N(C3CCCC3)C1)CCO2 1779029464 XSYAJAMDSYEHCG-GYCJOSAFSA-N 484.557 -0.080 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(C(=O)O)ncn1)C2 1779371286 ZMMFKRNJZGYIRK-VGOFRKELSA-N 483.485 -0.385 50 20 JBGD O=C(c1ccc(-n2c(O)nnc2O)cc1)N1CC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1780197609 QHBIQHZUEHPVPN-KUHUBIRLSA-N 451.867 -0.278 50 20 JBGD CN(CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3CCNC(=O)C3)C2)C1)NC(=O)NCc1ccccc1 1784042451 ZUMMBROFTRLDQV-CYFREDJKSA-N 486.573 -0.311 50 20 JBGD Cc1nn2cc(CC(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]43)nc2s1 1784853169 ZRADDRQFZPWTOX-XIRDDKMYSA-N 477.591 -0.006 50 20 JBGD Cc1nnc(CCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)s1 1785322485 AMQNAGQTSAGSOV-SZMVWBNQSA-N 458.349 -0.248 50 20 JBGD C[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1)n1ccccc1=O 1786984209 QNZRGGZMHSINRZ-UHMOLFJZSA-N 453.304 -0.617 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1cnc2snnc2c1 1789202389 KOTAEQOKYRZSQS-OWQGQXMQSA-N 467.316 -0.327 50 20 JBGD Cn1ncc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)c1C(F)(F)F 1795737258 LETCQYGSLHOEBO-YWVIFJGQSA-N 466.225 -0.364 50 20 JBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC13CCCN1CCC3)C2 1797752891 LSFOCYRMLRGUOG-CWPLJXCYSA-N 456.547 -0.093 50 20 JBGD CN(CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(N)=O)C2)NC(=O)NCc1ccccc1 1799097910 WPGAVAXSZUUEAA-UPHUGPLXSA-N 460.535 -0.812 50 20 JBGD C=CC(=O)N[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1810527173 NORPVWFEQHKOEC-FYINFDKHSA-N 450.304 -0.228 50 20 JBGD C[C@H](CS(C)(=O)=O)C(=O)N[C@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815335845 TZUNZYYUERLPOX-RISCZKNCSA-N 465.362 -0.271 50 20 JBGD Cc1cn(CC(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(B(O)O)cc3)[nH]n2)c(=O)nc1O 1823366936 GCBRHBUMOHGBFG-QGZVFWFLSA-N 480.290 -0.334 50 20 JBGD CNC(=O)CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc([N+](=O)[O-])ccc3OC(C)=O)C2)C1 1831274472 GQBSBNBSGZQZHD-OAQYLSRUSA-N 478.458 -0.274 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)CSc3nc[nH]n3)CC2)CC1)c1cccc(B(O)O)c1 1834801426 IBUYNCSGIAAQMT-UHFFFAOYSA-N 472.380 -0.538 50 20 JBGD O=C(c1ccc2nccnc2c1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835930528 LGSVFGWHDAULSB-DEOSSOPVSA-N 476.298 -0.307 50 20 JBGD O=C(c1ccc(O)c(F)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835931760 BYDLKNGTJDXAHN-JOCHJYFZSA-N 458.251 -0.405 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)C3(c4ccc(O)cc4)CC3)C2)C1 1835934350 XDSSZOAJDHBLAP-XMMPIXPASA-N 480.326 -0.126 50 20 JBGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc4n(n3)CCCNC4=O)CCO2)C1 1836780875 JMBXUZYRPOZEKD-XOBRGWDASA-N 469.926 -0.660 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)C1 1837461371 VGFISSLHNZNPDP-MTZLEEOVSA-N 459.503 -0.677 50 20 JBGD CN1CC(C(=O)N2CCOC[C@]3(CN(C(=O)CN(C)NC(=O)NCc4ccccc4)CCO3)C2)C1 1839054230 MMHDKSMWLMBFEJ-DEOSSOPVSA-N 488.589 -0.649 50 20 JBGD CC(=O)N1CCN(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](F)Br)CCO3)CC1 1839201326 VCCBGCVHQAPIQI-AEFFLSMTSA-N 479.347 -0.703 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)nc(Cl)c3)C2)C1 1840183410 CNUZCCGHXHVCKM-FQEVSTJZSA-N 469.926 -0.116 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnc(Cl)n3)C2)C1 1840185964 XYAFTPDTPWWKTR-IBGZPJMESA-N 454.915 -0.427 50 20 JBGD Cc1ccc(C(=O)NCC(=O)N2CCOC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)cc1 1840187183 LJOBDBUIMAYAJB-DEOSSOPVSA-N 489.573 -0.446 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CC2(CCCN2C(=O)CN2C(=O)CNC2=O)C1 1841848212 HTOOAQUVBQMHCD-UHFFFAOYSA-N 459.415 -0.111 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)c1ccccc1C(=O)OCCO)C2 1844264596 LZRDBAKPLUJOAR-UHFFFAOYSA-N 467.482 -0.035 50 20 JBGD CCS(=O)(=O)CCNC(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 727944322 XTGNCOGAMZVTAZ-UHFFFAOYSA-N 476.577 -0.595 50 20 JBGD CCS(=O)(=O)N1CCC(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)(c2ccccc2)CC1 728388125 GAJRXRFNVKSAHI-OAHLLOKOSA-N 457.574 -0.048 50 20 JBGD COCCn1cnc2c1c(=O)n(CC(=O)NNC(=O)c1ccon1)c(=O)n2Cc1ccccc1 747150059 SKXAJXPEAPUADQ-UHFFFAOYSA-N 467.442 -0.496 50 20 JBGD Cc1csc(CC(=O)NNC(=O)COC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)n1 760633973 RYUJPAMFPFHHCQ-UHFFFAOYSA-N 451.486 -0.465 50 20 JBGD CCOC(=O)c1c(S(=O)(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)n[nH]c1C 917719329 DWUIGVRSGOVXFY-UHFFFAOYSA-N 459.506 -0.232 50 20 JBGD Cc1nc2ccccn2c1C(=O)NNC(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 918776289 MPHKIPOVUPZNPC-UHFFFAOYSA-N 464.552 -0.893 50 20 JBGD Cc1ccn2c(=O)c(C(=O)N3CC[C@]4(CN(C(=O)c5cnccc5C(=O)NN)CCO4)C3)cnc2c1 1777994301 GORSEQMWCJLFIR-XMMPIXPASA-N 491.508 -0.241 50 20 JBGD CN(C)C(=O)c1cccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)c1 1792100072 BCDIDKPYNUXKOX-BVSLBCMMSA-N 479.342 -0.025 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)CS(C)(=O)=O 1793368813 WVDNCXILZOHFRJ-GWLPNEETSA-N 467.548 -0.609 50 20 JBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(S(C)(=O)=O)cn1 1794429049 LWHQAXXXBOKRHF-HBCWATKFSA-N 467.548 -0.939 50 20 JBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)C2 1797754098 VAQZNTMNAHZNAY-IVWMJMPLSA-N 470.442 -0.184 50 20 JBGD Cn1c(=O)c2c(ncn2CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C(Cl)Cl)n(C)c1=O 1802342149 WPJSICMBVLCABQ-JGPRNRPPSA-N 457.318 -0.124 50 20 JBGD O=C1CC[C@H](C(=O)NC[C@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)CN1 1802611918 QZWBWIDQAHLFDK-LQWHRVPQSA-N 450.304 -0.393 50 20 JBGD O=C(NC[C@H]1CCN(C(=O)c2cnncc2C(=O)O)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807375261 NOQXSVNKKFVCOP-OXQOHEQNSA-N 475.270 -0.117 50 20 JBGD O=C([C@H](O)CCl)N1CCC([C@H]2CCCCN2C(=O)CN2CCS(=O)(=O)CC2)CC1 1824975611 AVMFMKMWYGHNPQ-IAGOWNOFSA-N 450.001 -0.064 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCC([C@H]2CCCCN2C(=O)C[C@@H]2NC(=O)NC2=O)CC1 1825074750 PQIPNSRQRZZYOI-DLBZAZTESA-N 471.518 -0.484 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H](O)N2CCOCC2)CC1 1828974122 PVLGISXRTCHJQN-NQIIRXRSSA-N 453.584 -0.370 50 20 JBGD CCS(=O)(=O)N[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1 1833450888 NDHWJSDLARORLG-INIZCTEOSA-N 488.655 -0.741 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccccc3O)CCO2)C1 1833755581 WCUNMDHMPPCLBB-QFIPXVFZSA-N 455.471 -0.226 50 20 JBGD C[Si](C)(C)OCC(=O)N1CCC(N2CCC(NC(=O)c3cc(=O)n4[nH]nnc4n3)CC2)CC1 1834974004 LQVVTZPFFSFWEO-UHFFFAOYSA-N 476.614 -0.151 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(CO)o3)CCO2)C1 1837969345 UPLBXXRHVNQNAV-OAQYLSRUSA-N 459.459 -0.846 50 20 JBGD C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1)N1CCN(C)CC1 1839103201 ITRAPPDAUNRHED-IIDMSEBBSA-N 465.364 -0.231 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCc3nc[nH]c3C1)CCO2 1840365415 JSMLPLRPFOTEKS-KSFYIVLOSA-N 462.551 -0.656 50 20 JBGD CN(CC(=O)N1CC2(CCCN2C(=O)CN2CC(=O)NC2=O)C1)NC(=O)NCc1ccccc1 1841892320 VLRMHZPQPGHBSA-UHFFFAOYSA-N 471.518 -0.912 50 20 JBGD Cc1cn2c(=O)c(C(=O)N3CC[C@]4(CN(C(=O)c5ccc(B(O)O)cc5)CCO4)C3)cnc2s1 1777990086 ISYQEBNIVXGDBV-JOCHJYFZSA-N 482.327 -0.498 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)c3ccc(N4CCOCC4)cn3)CCO2)C1 1779029352 WBLPBFKKNLURCY-XMMPIXPASA-N 495.540 -0.326 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)[C@]3(NC(=O)OC(C)(C)C)CCOC3)C2)C1 1781311780 MQRXRHBHYZPZAW-PKTZIBPZSA-N 497.593 -0.127 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)c3cccc(N4CCOCC4)c3)C2)C1 1781736049 YXQIGARKWXYMEQ-RUZDIDTESA-N 479.342 -0.040 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(=O)c3cccnc3)[C@H]2C1 1785167591 BTXVJKJABZCEEG-WEMFUYDZSA-N 495.540 -0.075 50 20 JBGD CC(=O)Nc1cccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cnccc4C(=O)NN)C[C@@H]32)n1 1785532765 GIQHHYGKSKOEGE-FNHZYXHNSA-N 481.513 -0.054 50 20 JBGD C[C@@H](NC(=O)c1ccccc1)C(=O)N1CC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1785558229 WZBSGMWXCCWWPF-OSPHWJPCSA-N 465.315 -0.372 50 20 JBGD CC[S@@](=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1 1788611244 QPLSELWXEHXMPB-VONVBCESSA-N 451.549 -0.563 50 20 JBGD CS(=O)(=O)Cc1ncccc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1 1796190729 FARNJAZSNQHXAV-BCDXTJNWSA-N 471.344 -0.128 50 20 JBGD CCNC(=O)N[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C(C)=N/NC(=O)c1ccc[nH]1 1796441941 JAGZPYFBIZSXOI-CGEVSQDCSA-N 461.523 -0.582 50 20 JBGD CN(CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCNC(=O)C1)C2)NC(=O)NCc1ccccc1 1799097132 DXKCAVBYOZNVGK-NXWNEQKCSA-N 486.573 -0.552 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CNC(=O)C1 1800521108 IFEHILKUFJPZMZ-USRAEIGSSA-N 458.943 -0.156 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)CN2C(=O)CNC2=O)[C@H]1c1cccnc1 1804096644 XKGJXRLLSQFIGQ-FOIQADDNSA-N 459.507 -0.988 50 20 JBGD O=C(NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1)c1cnc(O)nc1O 1808279586 QGVHMGMNTJYQLP-CRAIPNDOSA-N 463.259 -0.404 50 20 JBGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1)[C@@H](O)N1CCOCC1 1819445285 UGCBJHCQWSBNFC-LAUBAEHRSA-N 457.296 -0.954 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCC([C@@H]2CCCCN2C(=O)CN2CCS(=O)(=O)CC2)CC1 1824974265 JYZNXAJYOJJSSZ-NRFANRHFSA-N 491.419 -0.670 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCC(F)(F)C1)CCO2 1829650322 ORESNKNWHBOXMK-OXQOHEQNSA-N 452.263 -0.128 50 20 JBGD CC(C)n1nc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)cc1C(=O)O 1830726413 YOPKKWDHJHLXBD-BEFAXECRSA-N 458.899 -0.168 50 20 JBGD O=C([C@H](O)CCl)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC(=O)N(C4CCCC4)C3)C2)C1 1830726862 UTQOQOMNWQOZDY-XPIZARPCSA-N 457.955 -0.166 50 20 JBGD Cc1ncsc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1834269037 SXDTUNGUXZAQCU-FQEVSTJZSA-N 460.516 -0.166 50 20 JBGD C[C@H](Cc1ccco1)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835939760 GMDBXJWWJDVIGN-UZUQRXQVSA-N 456.304 -0.092 50 20 JBGD C[C@@H](Nc1ccccc1)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1837336223 FSJATWXCMBOFJJ-HOYKHHGWSA-N 467.331 -0.063 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(Cl)nn1)CCO2 1837839527 LULVETHFFKUQSR-IBGZPJMESA-N 454.915 -0.427 50 20 JBGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4c3CS(=O)(=O)C4)C2)C1 1840151919 RORPKNHSXHZKCL-ACJLOTCBSA-N 476.939 -0.838 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(CN(C(=O)CSc3nc[nH]n3)CCO2)C1 1840380066 LXAYPHUZPSTAIK-LSCMLXDISA-N 490.546 -0.513 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCNC(=O)OC(C)(C)C)CCO2 1840802896 KLUWFTCKGUKLEC-QFIPXVFZSA-N 485.582 -0.269 50 20 JBGD COc1cc2c(cc1OC)[C@@H](CC(=O)NNS(=O)(=O)c1ccnn1C)N(S(C)(=O)=O)CC2 727351889 RCPMWDFAMIGXDA-CQSZACIVSA-N 487.560 -0.304 50 20 JBGD O=C(NNC(=O)c1sccc1S(=O)(=O)N1CCOCC1)c1ccc(-n2cnnn2)cc1 818515402 VOAKPFLDZRDWMV-UHFFFAOYSA-N 463.501 -0.181 50 20 JBGD COc1c(F)cc(CC(=O)NNC(=O)c2csc(N3CCOCC3)n2)cc1S(N)(=O)=O 915597076 HNLQLKSYHSWGPT-UHFFFAOYSA-N 473.508 -0.222 50 20 JBGD COCCn1cnc2c1c(=O)n(CC(=O)NNC(=O)c1ccnc(C)n1)c(=O)n2Cc1ccccc1 917392733 OUAYTVCCWPZLPQ-UHFFFAOYSA-N 492.496 -0.386 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)c3ccc4nc(CO)[nH]c4c3)C2)C1 1777704712 DJBVRYJIFDVAHF-HSZRJFAPSA-N 464.287 -0.508 50 20 JBGD O=C(COC(=O)C(F)(F)F)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2 1779277917 NMUHRLIBRRKEKR-DNVCBOLYSA-N 472.225 -0.401 50 20 JBGD COc1ccc(CCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)cn1 1785095127 ZQOFKAHYGWCMOB-JBACZVJFSA-N 467.331 -0.004 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](N)c3ccccn3)[C@H]2C1 1786869451 QGMBLABTTGFPBJ-FDARSICLSA-N 453.503 -0.627 50 20 JBGD CC[C@H](NC(N)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C(C)=N/NC(=O)c3ccc[nH]3)[C@H]2C1 1787509043 QQPKUTZKCJVFFY-YZSJLHEHSA-N 461.523 -0.453 50 20 JBGD CN1Cc2ccccc2C[C@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1793828903 MHFFUQAVLXTURT-MQFRRQCYSA-N 463.343 -0.374 50 20 JBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccnc1CS(C)(=O)=O 1794405648 XFXLADMCOSBLQQ-YVWYUNDQSA-N 481.575 -0.798 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1cc(N2CCCC2)ccn1 1796581157 DQUFJEDXHVTQEF-OPMZPASUSA-N 464.331 -0.121 50 20 JBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCNC(=O)OC(C)(C)C 1801958161 PHBNARWBCQSUOK-CCWDJLKJSA-N 455.556 -0.136 50 20 JBGD CC(=O)NC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1803591224 FEQGDLGBQCFGQW-QUCCMNQESA-N 452.320 -0.004 50 20 JBGD O=C(CN1CCS(=O)(=O)CC1)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1815671087 CTBMLIHHOBYJGZ-GOSISDBHSA-N 489.363 -0.874 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CC(c3ccccc3)=NO1)CCO2 1831254828 MYFWJKYYDCCWKE-RDGATRHJSA-N 493.325 -0.370 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(CN(C(=O)CCc3cc(F)ccn3)CCO2)C1 1832850953 VAAQUFXSLYKUAZ-QHCPKHFHSA-N 486.504 -0.078 50 20 JBGD O=C(CN1CCOC1=O)NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1833385951 HBDFVQJRHQKLRB-UHFFFAOYSA-N 458.324 -0.996 50 20 JBGD COc1nccnc1C(=O)N1CCO[C@]2(COCCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C2)C1 1833506030 RIBWNQXEXLEBRS-WGLQLPMYSA-N 485.501 -0.311 50 20 JBGD Cc1c(F)ccc(C(=O)N2CCOC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)c1N 1835935327 AWSLIIMSXCKQFX-QHCPKHFHSA-N 471.294 -0.220 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc4ncnn4c3)C2)C1 1837459555 JZBXFPGZCUDLKG-HSZRJFAPSA-N 494.512 -0.960 50 20 JBGD O=C(O)c1cnncc1C(=O)N1CCC(OC2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1837919087 CNBAYJMLXRQTEJ-UHFFFAOYSA-N 482.302 -0.219 50 20 JBGD N#Cc1ccc(F)c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)c1 1839420304 APBZYBZRSOXAJS-QHCPKHFHSA-N 467.262 -0.239 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)c1cn3c(F)cccc3n1)CCO2 1839555005 UVXZVMMDZRQJHV-QHCPKHFHSA-N 482.277 -0.463 50 20 JBGD COc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)c(O)c1 1840185542 OVNNXLANHQRRKF-QFIPXVFZSA-N 464.519 -0.156 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc4c(c3)CCNCC4)C2)C1 1840186059 YATGIFBNOBERIW-DEOSSOPVSA-N 488.589 -0.787 50 20 JBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)CCNC(=O)c1cc(F)ccc1Br 729276557 GTASHOOBFOXEFI-QMMMGPOBSA-N 453.290 -0.207 50 20 JBGD COCCn1cnc2c1c(=O)n(CC(=O)NNc1ncccn1)c(=O)n2Cc1ccccc1 913044064 NFOFQPSGDIIERM-UHFFFAOYSA-N 450.459 -0.012 50 20 JBGD COc1ccnc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)c1OC 1779032145 CFNOTOPQBHIUKD-JOCHJYFZSA-N 470.486 -0.145 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](O)Cc1ccccc1)CCO2 1779033806 FDCGYNRHUBTWHI-AUSIDOKSSA-N 453.499 -0.268 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccnnc1O)C2 1779372592 LWLOUONZIKXISI-IIBYNOLFSA-N 455.475 -0.378 50 20 JBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2)[C@@H]1CC[C@H]2CCC(=O)N2C1 1780605900 SYBXLAGTEBEOAJ-AFPVUDKHSA-N 483.374 -0.105 50 20 JBGD O=C(CN1CCS(=O)(=O)CC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](F)Br)C[C@@H]21 1785037557 XFFKOWZRUKRJNI-PWNZVWSESA-N 470.361 -0.613 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccn4c(O)nnc34)C[C@@H]21)c1cccc(B(O)O)c1 1786983488 VTNHIMOSOWOIJH-WBAXXEDZSA-N 465.275 -0.978 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)[C@@H]1C[C@@]12C(=O)Nc1ccccc12 1791064472 HJLBIVJLISGXMH-GHVLPECXSA-N 489.337 -0.130 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(-n2cnnc2)cc1 1795493562 BEJOZINPJRIROY-CWPLJXCYSA-N 476.497 -0.217 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1nccnc1C(N)=O)C2 1796891678 FWBATHVCZGDPAM-BTSNSQKGSA-N 452.475 -0.039 50 20 JBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1)C2 1801014426 PSVJZUJSYBMZAS-AXVVYFOYSA-N 497.593 -0.415 50 20 JBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCC(=O)N1C(=O)OC(C)(C)C 1801161252 ZQIXMURNGZBSLC-UIVXKWKOSA-N 495.577 -0.125 50 20 JBGD CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1 1817472620 XLSHCEHYRDLFOH-RTBURBONSA-N 486.290 -0.110 50 20 JBGD CN1N=C(C(=O)N[C@@H]2CCc3nc(NC(=O)c4cnccc4C(=O)NN)sc3C2)CCC1=O 1819793562 PSRHXVXEZMQXLN-SNVBAGLBSA-N 470.515 -0.024 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)CC(N)=O)CCO2 1831603569 KTSCVRLNXXMYKI-MTBUWAEZSA-N 462.507 -0.912 50 20 JBGD C[C@@](Cl)(CCl)C(=O)N1CCOC[C@]2(CN(C(=O)CCN3C(=O)C=CC3=O)CCO2)C1 1832026985 WFNBEWFYZAGCLE-MOPGFXCFSA-N 462.330 -0.006 50 20 JBGD O=C(/C=C/c1cccnc1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835927211 MJZXVCSDNBNWGU-DHXBXMGCSA-N 451.288 -0.455 50 20 JBGD O=C(c1ccc2ncoc2c1)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835937130 QAFSGBBJODLRPS-QHCPKHFHSA-N 465.271 -0.109 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)c1n[nH]c3ccccc13)CCO2 1836939942 UOAQPCHRJZVNTF-QHCPKHFHSA-N 464.287 -0.374 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)CCBr)C2)C1 1837457162 WYASGUSVJIUGFT-GOSISDBHSA-N 470.324 -0.460 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCCCC3)C2)C1 1837457909 VNTKHNRYDFNDER-QFIPXVFZSA-N 460.535 -0.759 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837531130 WWPHWOPPXUMETK-XUYQLWACSA-N 469.539 -0.655 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCC(OC2CCN(C(=O)CN3CCOCC3)CC2)CC1 1837803441 HFWLDHFBFYGOFI-UHFFFAOYSA-N 474.562 -0.371 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)c1c(F)ccc(O)c1F)CCO2 1839411096 VDOIZGMLMPGHRW-QFIPXVFZSA-N 476.241 -0.266 50 20 JBGD Cc1nn(C)c(C)c1C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840182529 MSNSJSUILVCGAX-OAQYLSRUSA-N 450.540 -0.520 50 20 JBGD CCn1cnc2c1c(=O)n(CC(=O)NNC(=O)Cn1cc(C)cn1)c(=O)n2Cc1ccccc1 109113808 UKCAKBZYBSVWQZ-UHFFFAOYSA-N 464.486 -0.220 50 20 JBGD C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NNC(=O)[C@@H]3CCS(=O)(=O)C3)nnc12 800504334 AUBWVXWMDXGXGD-GFCCVEGCSA-N 476.540 -0.096 50 20 JBGD COc1cc(N2C[C@@H](C(=O)NNC(=O)[C@@H]3CCS(=O)(=O)C3)CC2=O)cc(OC)c1OC 914445026 LCITXXODZOBGTQ-NEPJUHHUSA-N 455.489 -0.353 50 20 JBGD NC[C@@H](C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1)c1ccccc1 1779031781 XRWOSDGINHZGHJ-WZONZLPQSA-N 452.515 -0.129 50 20 JBGD CN(CC(=O)N1CCO[C@]2(CCN(C(=O)COCCO)C2)C1)NC(=O)NCc1ccccc1 1781317672 DHESBVULYHRULP-QFIPXVFZSA-N 463.535 -0.829 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCOC3=O)[C@H]2C1 1784279626 IXFIOCTZJFJHOA-GLYSVQQSSA-N 460.491 -0.448 50 20 JBGD O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1788658393 QRQVDXIVPZNLSR-OIRWYUSJSA-N 459.308 -0.511 50 20 JBGD COc1cccc(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)n1 1795732997 VFMIDDNLATZDAK-FAQVEIGNSA-N 453.304 -0.394 50 20 JBGD C[C@@H](NNc1ccccc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797748178 MCBBIXFEQOUSQU-IHSNIMORSA-N 467.530 -0.107 50 20 JBGD O=C(NC[C@@H]1CCN(C(=O)c2cccc(=O)n2O)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807362324 JZTHFXOGOIALQJ-LAUBAEHRSA-N 462.271 -0.206 50 20 JBGD CC(=O)N1CCN(CC(=O)N2CCC3(CCCN(C(=O)c4cccc(B(O)O)c4)C3)CC2)CC1 1809978255 AJIMWGBMNWMKPR-UHFFFAOYSA-N 470.379 -0.625 50 20 JBGD O=C(COc1cccnn1)N[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815347503 ADNYESUPUIOPHZ-CQSZACIVSA-N 453.289 -0.082 50 20 JBGD C[C@@H](O)[C@H](NC(=O)c1ccccc1)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1830352678 MBTOTYDFYGUMLT-OBUYZQBDSA-N 483.949 -0.778 50 20 JBGD C[C@@](O)(C(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1)C(F)(F)F 1834797322 CJHQRIUGNLBZJZ-HXUWFJFHSA-N 471.285 -0.135 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)c3cc(-n4ccnc4)ccn3)C2)C1 1835931000 BWRKGECCBINATL-XMMPIXPASA-N 491.313 -0.669 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)c3ccn(C(F)F)n3)C2)C1 1835931706 YJBYWIHBRKPHTK-FQEVSTJZSA-N 464.234 -0.658 50 20 JBGD CC(C)n1nccc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835938129 MYWTYXSFMRHEIK-JOCHJYFZSA-N 456.308 -0.472 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ccc(F)cn1)CCO2 1836035633 ACLHIDBEVDUHKL-OAQYLSRUSA-N 451.499 -0.407 50 20 JBGD CN(CC(=O)N1CCC(N2CCC(NC(=O)[C@H](F)Br)CC2)CC1)C(=O)C(=O)O 1836413410 AKRBJCOMJZVAMM-AWEZNQCLSA-N 465.320 -0.209 50 20 JBGD CC[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCN(C(C)=O)CC3)CCO2)C1 1836769130 MTLMVWVGPUGBTD-FXAWDEMLSA-N 489.411 -0.220 50 20 JBGD C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1)N1C[C@H]2C[C@@H]2C1 1837287898 CGXKTSCVMQJRFC-IDVKNYFZSA-N 451.568 -0.844 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)c3ccccc3)C2)C1 1837457464 CZHZIFFQPVDDLV-WMZHIEFXSA-N 469.498 -0.511 50 20 JBGD CC[C@@H](NC(N)=O)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1837919367 JJBASBPZGCLXMX-LJQANCHMSA-N 460.340 -0.575 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCC(=O)N1C)CCO2 1839213841 BZVKSDFCYMGMSF-CUZKIXHZSA-N 474.518 -0.802 50 20 JBGD O=C([C@H](O)CCl)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1[C@@H](O)CCN1Cc1ccccc1)CCO2 1839726703 AYXCEZBEMVRMED-FAKFISEUSA-N 481.977 -0.322 50 20 JBGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCCS3(=O)=O)C2)C1 1840035509 UMLROTYPVNZCBA-XEZPLFJOSA-N 453.355 -0.197 50 20 JBGD CCOc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)nn1 1840184996 DBCPXFVDPBYKPZ-NRFANRHFSA-N 464.523 -0.682 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(CN(C(=O)/C=C/c3cnccn3)CCO2)C1 1840486464 FZPGWXZNAXPLFQ-RDUCDJESSA-N 467.486 -0.742 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](Cc1ccc(B(O)O)cc1)C(=O)N1CCCC12CN(C(=O)c1ncon1)C2 1843428825 SFDWTJQXCHYDIT-KRWDZBQOSA-N 499.333 -0.298 50 20 JBGD CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CC2(CCCN2C(=O)c2cnccc2C(=O)NN)C1 1844263288 NRYGNYHFUFKAJK-HNNXBMFYSA-N 462.507 -0.612 50 20 JBGD CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NNC(=O)CCN3C[C@H](C)O[C@H](C)C3)c2)CC1 912920144 VXUCSUCAGMSOOG-CALCHBBNSA-N 495.602 -0.200 50 20 JBGD O=C(CCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)NNC(=O)N[C@H]1CCS(=O)(=O)C1 920212844 VXPRUPPNMSROGA-JTQLQIEISA-N 488.466 -0.229 50 20 JBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2)[C@@H]1CC[C@@H]2CCC(=O)N2C1 1780605607 PWBKTEJSSOISLZ-GUQHISFFSA-N 483.374 -0.105 50 20 JBGD CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1781350889 FKISHVGOPDLGML-MBSDFSHPSA-N 491.350 -0.914 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@@H](O)CN3C(=O)OC(C)(C)C)C2)C1 1783614974 IMWPKBYPPMBRCY-SAHWJRBASA-N 497.593 -0.440 50 20 JBGD COC(=O)c1ccc(OCC(=O)N2CC[C@@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)cc1 1785720086 BBDHXNAWIRMJSB-XMMPIXPASA-N 497.508 -0.006 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)[C@H]1Cc2ccccc2CN1 1787452368 YQBMPIDCSMPYCK-SNJCGAMXSA-N 463.343 -0.326 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc4c(n3)OCCO4)C[C@@H]21 1788610095 CXMJRQNSWDQTBF-AXHNFQJDSA-N 482.497 -0.242 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1ccc([N+](=O)[O-])c2c1OCO2 1789288315 ZENKYHIHMBLGNV-FNHZYXHNSA-N 497.269 -0.090 50 20 JBGD CC(C)n1nc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)cc1C(=O)O 1795737293 PQXFSOUUEBLEAU-CCWDJLKJSA-N 470.291 -0.641 50 20 JBGD C[C@@H](NC(=O)c1ccc(F)cc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797752896 LYZSTSFFVGYOJE-BCEDRHLLSA-N 498.515 -0.154 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2)c1n[nH]cc1I 1798115322 HXOATHBMGFYZQM-OEIWMXHLSA-N 468.679 -0.183 50 20 JBGD CNC(=O)CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN(C)NC(=O)NCc1ccccc1 1799095410 RXHCHWKYOYASJA-UPHUGPLXSA-N 460.535 -0.942 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)[C@H]1Cc2[nH]nc(C(F)(F)F)c2C1 1800321637 WQIANLDCNQSZMT-ZUMXRPEOSA-N 492.263 -0.274 50 20 JBGD CC(=O)OC[C@H](OC(C)=O)C(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807373553 BNWYSQZAYJEQSK-ILWGZMRPSA-N 497.313 -0.424 50 20 JBGD CC(=O)OC[C@H](OC(C)=O)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)CBr)CCO2 1830540158 PEABTJCFTJXPFI-AXHNFQJDSA-N 493.351 -0.031 50 20 JBGD Cc1nn2cc(CC(=O)N3CCOC[C@@]4(C3)CN(C(=O)[C@H](O)CCl)CCO4)nc2s1 1830726946 XLGIXJVNPBCJFX-RDTXWAMCSA-N 457.940 -0.302 50 20 JBGD O=C(/C=C/c1ccc([N+](=O)[O-])o1)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1830906873 HMXSHVUJHSDYII-UKKYDJSUSA-N 485.258 -0.349 50 20 JBGD O=C(CCc1ccc(F)nc1)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1832831914 ZDUYIRXBEVMIRS-HSZRJFAPSA-N 471.294 -0.397 50 20 JBGD CC(=O)N1CCN(CC(=O)N2CCC(N3CCC(NC(=O)[C@@H](O)CCl)CC3)CC2)CC1 1833310137 KLSNFMONMXEXIP-IBGZPJMESA-N 458.003 -0.678 50 20 JBGD CN(CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cncnc1)CCO2)NC(=O)NCc1ccccc1 1834306603 FOZVRPXAWUYXRL-DEOSSOPVSA-N 497.556 -0.107 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC1CCN(C2CCN(C(=O)[C@H](O)CCl)CC2)CC1 1835734453 JQYPOZRQJYNBOJ-QGZVFWFLSA-N 452.943 -0.530 50 20 JBGD C[C@@H](Cc1ccncc1)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835932325 ZJSXBIDFZSGRDN-UUOWRZLLSA-N 467.331 -0.290 50 20 JBGD COC(=O)c1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)c(C)c1 1835934171 OEMTUYDCPFHAEM-VWLOTQADSA-N 496.325 -0.155 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cc(Cl)cn3)CCO2)C1 1835973738 QJQPFPXCDFLCSL-FQEVSTJZSA-N 477.909 -0.695 50 20 JBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)C3CCN(S(C)(=O)=O)CC3)C2)C1 1840152316 FIYPCRZDAKLCRM-LPHOPBHVSA-N 481.999 -0.632 50 20 JBGD COc1cccc(CC(=O)N2CCOC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)n1 1840182301 FUVIBTOVYSKVRG-QFIPXVFZSA-N 463.535 -0.538 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccn4cncc4c3)C2)C1 1840184594 WMEVQPIKFDUNAJ-QFIPXVFZSA-N 458.519 -0.223 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3ncc[nH]3)CCO2)C1 1840324906 SEOCYFCGYHDKJZ-SYOQMXFQSA-N 471.518 -0.067 50 20 JBGD Cc1nn(C)c(C)c1CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1840436739 WKPDRNXVCXQQNA-QHCPKHFHSA-N 485.545 -0.652 50 20 JBGD CC(=O)Nc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)c1 1840729379 IKIPWGZJRFUWAN-DEOSSOPVSA-N 481.314 -0.291 50 20 JBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2ccc(CS(N)(=O)=O)cc2)cc1 748831544 WFFUECWOLCEVMN-UHFFFAOYSA-N 454.530 -0.135 50 20 JBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NC[C@@]3(N4CCOCC4)CCSC3)nc2)CC1 916636931 PWIBUOLJZNFENC-FQEVSTJZSA-N 499.663 -0.148 50 20 JBGD COc1ccc(C(=O)N2CCC[C@H]2C(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)c(OC)c1 919886167 PRVJHTAQBZJVJR-WFASDCNBSA-N 454.505 -0.174 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)[C@@H]3ON=C(c4ccccc4)O3)C2)C1 1778867285 ISWSRXDIASYVJX-GOTSBHOMSA-N 465.271 -0.455 50 20 JBGD CN(CC(=O)N1CC[C@@]2(CN(C(=O)CNC(=O)N(C)C)CCO2)C1)NC(=O)NCc1ccccc1 1780968145 AXJVQKPJJHRNQP-QHCPKHFHSA-N 489.577 -0.566 50 20 JBGD CC(=O)N[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)C(C)(C)C 1784313820 FGSADZCLTWLXNW-LEAZDLGRSA-N 459.352 -0.490 50 20 JBGD COc1ccc([C@@H](O)C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)cc1 1786978729 NXYMRBMNVFAYOT-AGOPTVSRSA-N 468.315 -0.298 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(CO)on3)[C@H]2C1 1789377227 JBKXFBJFVKLXPS-IMFBWOCLSA-N 458.475 -0.106 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)[C@@H]1CC(=O)N(Cc2ccccc2)C1 1793206650 WMMKCDONHCTQCA-IUBSTNSRSA-N 491.353 -0.382 50 20 JBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN1Cc3ccccc3C1=O)C2 1797750939 WGRTYFLNBAHOET-FAQVEIGNSA-N 492.536 -0.066 50 20 JBGD C[C@H]1Oc2ccc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)CCC(=O)NN(C)C)cc2NC1=O 1801011854 LTEHGVGZRCWVLB-IDZOXIJSSA-N 473.530 -0.018 50 20 JBGD CCC(=O)N[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1803429654 CZXWPCKWJDRJSH-FYINFDKHSA-N 452.320 -0.004 50 20 JBGD O=C(NC[C@H]1CCN(C(=O)CCN2C(=O)C=CC2=O)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807365400 ORYWBXJYDZBNCI-WZONZLPQSA-N 476.298 -0.604 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)CN(C)C(=O)C(=O)O)CC1 1831874882 NUONBTKBNLTDJU-INIZCTEOSA-N 453.540 -0.478 50 20 JBGD CCS(=O)(=O)N[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](O)CCl)CC2)CC1 1833306655 VVHYQZAJSCMXMZ-BBRMVZONSA-N 453.005 -0.515 50 20 JBGD CS(=O)(=O)N1CCC(C(=O)NC2CCN(C3CCN(C(=O)[C@H](O)CCl)CC3)CC2)CC1 1835441055 XGAKYHXIMFMOKQ-GOSISDBHSA-N 479.043 -0.171 50 20 JBGD CCC(=O)N[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3cnccc3C(=O)NN)CC2)CC1 1835734680 PHXPPSSCJSKDMP-OAHLLOKOSA-N 473.578 -0.215 50 20 JBGD Cc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)cc1 1835935474 GSXJLLVKHSBBPL-XMMPIXPASA-N 452.316 -0.012 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc3cncn3c1)CCO2 1837123864 DRTYORRAHRITID-QFIPXVFZSA-N 458.519 -0.223 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc3cn[nH]c3cn1)CCO2 1837197531 LPPIHFADDLWFKC-JOCHJYFZSA-N 465.275 -0.979 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)C[C@H](N)c3cccnc3)C2)C1 1837457457 CSRZRMVDOAZCDH-CVDCTZTESA-N 483.529 -0.760 50 20 JBGD CCc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)n(C)n1 1838042376 XSKYWVHBCQHTKE-JOCHJYFZSA-N 456.308 -0.954 50 20 JBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@H](O)CNC(=O)OC(C)(C)C)C2)C1 1840155251 VGWGTBDOOVYNNI-CKJXQJPGSA-N 493.985 -0.028 50 20 JBGD CC(=O)N[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1)C(C)(C)C 1840183043 ZRSMWBFEPPOALU-UGKGYDQZSA-N 469.583 -0.633 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)C3CCC4(CC3)OCCO4)C2)C1 1840186073 ZBYMRTNKUPVWPG-JOCHJYFZSA-N 482.578 -0.251 50 20 JBGD COCCn1cnc2c1c(=O)n(CC(=O)NNC(=S)NC1CC1)c(=O)n2Cc1ccccc1 15666789 KQVHDATVRRAJGP-UHFFFAOYSA-N 471.543 -0.288 50 20 JBGD CN(CC(=O)NNC(=O)c1csc(N2CCOCC2)n1)C1=NS(=O)(=O)c2ccccc21 20910911 NFMYNBWNLFOFQK-UHFFFAOYSA-N 464.529 -0.178 50 20 JBGD O=C(NCc1ccccc1CS(=O)(=O)N1CCOCC1)NNC(=O)C(=O)N1CCCC1 748444141 ICUBQMSUIBQNCU-UHFFFAOYSA-N 453.521 -0.699 50 20 JBGD O=C(COC(=O)CCNS(=O)(=O)c1cccs1)NNC(=O)[C@H]1COc2ccccc2O1 800940645 XTHROKBNHAEKDN-CQSZACIVSA-N 469.497 -0.053 50 20 JBGD COc1cc2c(cc1OC)[C@H](CC(=O)NNC(=O)NC[C@@H]1COCCO1)N(S(C)(=O)=O)CC2 918108489 KHMWPFPAFROXNP-ZBFHGGJFSA-N 486.547 -0.302 50 20 JBGD O=C(NNC(=O)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1)N[C@H]1CCS(=O)(=O)C1 919886131 VCLXZBODEIPWIZ-ZDUSSCGKSA-N 480.515 -0.117 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CC(c3ccccc3)=NN1)CCO2 1779037062 MBYSJEDABPIGFM-RDPSFJRHSA-N 477.525 -0.105 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C[C@H](O)CN1C(=O)OCc1ccccc1)C2)[C@H](O)CCl 1792983103 DAGNUVQWYXMBEW-APNJTCTJSA-N 495.960 -0.052 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)C2 1796443961 SNRJWLKBRBUKKR-IHHIPJHASA-N 499.484 -0.520 50 20 JBGD O=C1COc2ccc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)c3ccc(B(O)O)cc3)C4)cc2N1 1797450149 QYZAJAARKFKTDQ-VPTLXERWSA-N 465.271 -0.786 50 20 JBGD CN(CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cnc[nH]1)C2)NC(=O)NCc1ccccc1 1799094665 CPRVIQCBMLGWBZ-OPMZPASUSA-N 469.546 -0.112 50 20 JBGD O=C1CCc2ccc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)c3cccc(B(O)O)c3)C4)cc2N1 1800099938 LHPOYFPKNMYPET-OPMZPASUSA-N 463.299 -0.232 50 20 JBGD C[C@](O)(CC(=O)O)CC(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807368620 WGUVGATYVFPROG-AMHTUMDSSA-N 469.303 -0.303 50 20 JBGD CCOC(=O)N[C@H](O)C(=O)N[C@H]1CCc2nc(NC(=O)CCC(=O)NN(C)C)sc2C1 1826087829 LQYLELLSTHROOQ-MGPLVRAMSA-N 456.525 -0.507 50 20 JBGD CN[C@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)CBr)CCO2)C(=O)O 1830538065 VATAHFSXWSYECU-PBFPGSCMSA-N 450.330 -0.464 50 20 JBGD C[C@@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc4n(n3)CCNC4=O)CCO2)C1 1834560552 LGTDYPMPVHQAOI-ORAYPTAESA-N 484.351 -0.273 50 20 JBGD COc1cccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)n1 1837456856 OJPPSUNHCDFHCK-QFIPXVFZSA-N 470.486 -0.528 50 20 JBGD CC(C)n1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)n1 1838783571 FFTMEQYZHCVLEG-QFIPXVFZSA-N 456.308 -0.472 50 20 JBGD CCN(CC)C[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1839679989 VABOJZCSTJYQNT-PGRDOPGGSA-N 455.600 -0.206 50 20 JBGD O=C(Cn1cccc([N+](=O)[O-])c1=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1839718567 BLIGLLYHUANDAT-YOEHRIQHSA-N 491.270 -0.097 50 20 JBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](COC(C)=O)OC(C)=O)C2)C1 1840153168 GKTKZFPMKMEKAZ-TXPKVOOTSA-N 464.899 -0.809 50 20 JBGD Cc1cnn([C@@H](C)C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)c1 1840403768 OYYMORSNKOJVCZ-JTSKRJEESA-N 456.308 -0.797 50 20 JBGD CC(C)(C)OC(=O)N1CC[C@@H](O)[C@H](C(=O)N2CC3(CCCN3C(=O)c3cccc(B(O)O)c3)C2)C1 1843014115 YPPDJOAPMIGKEA-RTBURBONSA-N 487.362 -0.199 50 20 JBGD CN(CC(=O)N1CCCC12CN(C(=O)CC[C@@H](N)C(N)=O)C2)NC(=O)NCc1ccccc1 1845038833 YPXFNCNQEIDWOX-QGZVFWFLSA-N 459.551 -0.871 50 20 JBGD O=C(CC[C@H]1NC(=O)NC1=O)NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 913430477 CUDZESUEEPAUJJ-MRXNPFEDSA-N 459.484 -0.086 50 20 JBGD COC(=O)N(C)CC(=O)NNC(=O)Cn1c(=O)c2c(ncn2CC(C)C)n(Cc2ccccc2)c1=O 919702849 JPZXIGFDCCPQNQ-UHFFFAOYSA-N 499.528 -0.090 50 20 JBGD CC(C)(C)n1cc(C(=O)N2CC[C@@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)nn1 1780354537 FIUMANMLKIFSHM-OAQYLSRUSA-N 456.507 -0.211 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C(F)(F)C(F)(F)C(=O)O)C[C@@H]21)c1cccc(B(O)O)c1 1786982809 IJGYPYCOOPKXQG-UBHSHLNASA-N 476.188 -0.685 50 20 JBGD C[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21)[C@H]1SC(=N)NC1=O 1787496552 YJMBQIYBELMUNI-GVNCQOTDSA-N 489.558 -0.919 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1cncn1-c1ccncc1 1794464653 UBMDCDDXSDFUOA-UPHUGPLXSA-N 461.287 -0.536 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CC(=O)N(Cc3ccccc3)C1)C2)c1ccc(B(O)O)cc1 1795732747 FZJSNCPQQGTSHB-IUBSTNSRSA-N 491.353 -0.382 50 20 JBGD CCOC(=O)N(CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1)Cc1ccco1 1795736843 MCEXWXSHPBIWSH-OPMZPASUSA-N 499.329 -0.179 50 20 JBGD C[C@@H](Nc1ccccn1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797751790 SGIWNLKIPOGCMK-BKEDOTJMSA-N 453.503 -0.216 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1cccc(-n2cncn2)c1 1799774747 OFQRMJKOQNDAHR-RMFSNUHRSA-N 461.287 -0.536 50 20 JBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(S(C)(=O)=O)ccc1F 1799863002 SHTZAGJOEOGEMO-VTEUUUEMSA-N 484.550 -0.195 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@H]1CCN(C(=O)CN2CC(=O)NC2=O)[C@H]1c1cccnc1 1808410767 XKMNYWBOQACVMA-FYRPCYDASA-N 494.512 -0.227 50 20 JBGD O=C(CS(=O)(=O)N1CCCC1)N[C@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815340662 NPHWFWAFJYLMIZ-HNNXBMFYSA-N 492.388 -0.526 50 20 JBGD NNC(=O)c1ccncc1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H]1CCNC(=O)C1)CC2 1819800877 TUKJUSAEFZEGSH-MNOVXSKESA-N 457.516 -0.106 50 20 JBGD O=C1NCCn2nc(C(=O)N3CCC([C@@H]4CCCCN4C(=O)c4ccc(B(O)O)cc4)CC3)cc21 1827051016 KSTPIPFERWUPEV-FQEVSTJZSA-N 479.346 -0.147 50 20 JBGD N#Cc1ccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)cc1 1829631977 NGLBJMOKPAIPGF-VWLOTQADSA-N 477.326 -0.059 50 20 JBGD CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830722450 BVLRVVFIPIUYGB-OSAWLIQMSA-N 491.969 -0.587 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1)c1cc(O)ncn1 1833554209 OPAUWCHYOMTESF-UHFFFAOYSA-N 453.308 -0.639 50 20 JBGD COc1cnc(C(=O)NC2CCN(C3CCN(C(=O)c4ccc(B(O)O)cc4)CC3)CC2)cn1 1834314809 HSKZRTQIPPFQKO-UHFFFAOYSA-N 467.335 -0.336 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)ccc3O)C2)C1 1835931831 DLESUWYAZPTVEN-QFIPXVFZSA-N 456.260 -0.839 50 20 JBGD N#Cc1cccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)c1 1837459284 BDYAGNZVMZOGLX-HSZRJFAPSA-N 464.482 -0.059 50 20 JBGD CC(=O)O[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1)C(C)C 1837459397 OBXSJVUPKOKNBH-PGRDOPGGSA-N 477.518 -0.657 50 20 JBGD COCc1c[nH]c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)c1 1837460004 QLDMJDNKHNUIBX-JOCHJYFZSA-N 472.502 -0.457 50 20 JBGD CN1CCN(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](F)Br)CCO3)CC1 1839199760 UAXAZRSDEXRTSK-AEFFLSMTSA-N 465.364 -0.229 50 20 JBGD COC(=O)CCCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCC(=O)NN(C)C)CCO2 1840186051 XDTLEUPBSJOUKV-JOCHJYFZSA-N 470.567 -0.061 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C(N)=O)cc3)C2)C1 1840186931 GRTXGZMKEPTRFF-QFIPXVFZSA-N 461.519 -0.772 50 20 JBGD CCOC(=O)N1CCC(C(=O)N2CCOC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)CC1 1840187387 WTBAIWFVKVZISB-HSZRJFAPSA-N 497.593 -0.316 50 20 JBGD Cn1nc(SCC(=O)NN=C2C(=O)Nc3c(Br)cc(F)cc32)c(=O)n(C)c1=O 730568835 DLVDWBMAKQKFMM-UHFFFAOYSA-N 471.268 -0.055 50 20 JBGD CC(C)Cn1cnc2c1c(=O)n(CC(=O)NNC(=O)Cn1cncn1)c(=O)n2Cc1ccccc1 849208645 KJYHLHSIKMKADW-UHFFFAOYSA-N 479.501 -0.497 50 20 JBGD C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21 1783531259 KDZSCOSZJJISKO-SPYIXANLSA-N 456.503 -0.863 50 20 JBGD COC(=O)[C@@H]1CC[C@@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cnccc4C(=O)NN)C[C@@H]32)C1 1784080490 OFFUCJABVDFVTR-GVYRHCHYSA-N 473.530 -0.132 50 20 JBGD Nc1c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)sc2nccnc12 1786951646 LXHAVGDZELOYFJ-BPUTZDHNSA-N 481.343 -0.140 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc(OCF)cn3)C[C@@H]21)c1ccc(B(O)O)cc1 1786980044 CFXFTGPGFNKPAJ-ZVZYQTTQSA-N 458.255 -0.631 50 20 JBGD CN1CCCn2nc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)c5ccc(B(O)O)cc5)[C@H]4C3)cc2C1 1786983891 VOFGYZYCHOVQLF-XJABCFGWSA-N 481.362 -0.695 50 20 JBGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807363553 MGSKFDQMWSJRDK-UGKGYDQZSA-N 473.103 -0.925 50 20 JBGD CN[C@H](CC(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1)C(=O)O 1807370410 CVWAZAJTZRHPEK-ILZDJORESA-N 454.292 -0.856 50 20 JBGD O=C(NC[C@@H]1CCN(C(=O)CSc2nc[nH]n2)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807375863 VXBNZXOZSFNVTA-LPHOPBHVSA-N 466.332 -0.009 50 20 JBGD COC[C@@H](NC(C)=O)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cnccc1C(=O)NN)CC2 1820193472 XGADDYNBFOOQKA-IAQYHMDHSA-N 475.531 -0.482 50 20 JBGD C[C@@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)CN(C)C(=O)C(=O)O)C2)C1 1830543901 HECALVBMVBLXLA-SJCJKPOMSA-N 464.313 -0.983 50 20 JBGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)CCO2 1830885880 MPLOUGAYFGPTRD-GCKMJXCFSA-N 493.985 -0.028 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(CN(C(=O)c3cnnc(Cl)c3)CCO2)C1 1833207947 IDYGEPVSAAVHEG-FQEVSTJZSA-N 475.893 -0.488 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)[C@H]3Cc4ccccc4CN3)C2)C1 1835928332 KXMIJHOUAXYDGI-RCZVLFRGSA-N 479.342 -0.849 50 20 JBGD O=C(c1ccc2nccn2c1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835930718 VYUOCMVOANPUFY-HSZRJFAPSA-N 464.287 -0.602 50 20 JBGD COc1ccc(COCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)cc1 1835934560 YQXXTSXNQCZFQB-RUZDIDTESA-N 498.341 -0.338 50 20 JBGD CCC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(=O)n4[nH]nnc4n3)CCO2)C1 1836403411 GZOKCNXJNPNCPZ-KPZWWZAWSA-N 453.887 -0.710 50 20 JBGD C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1)N1CSCSC1 1837570213 GZODKPBKDUTCQM-IIBYNOLFSA-N 495.432 -0.521 50 20 JBGD C[C@](O)(CC(=O)O)CC(=O)N1CCO[C@]2(COCCN(C(=O)CCBr)C2)C1 1840178670 OOQRQKZDUJZOLI-SJORKVTESA-N 451.314 -0.156 50 20 JBGD COc1cc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)CCC(=O)NN(C)C)CCO3)ccn1 1840182781 UEFYFBJUWMJJNH-QHCPKHFHSA-N 477.562 -0.148 50 20 JBGD CC[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3C(=O)C=CC3=O)CCO2)C1 1840264034 FHFLDLSBZMRQLI-SCLBCKFNSA-N 458.309 -0.459 50 20 JBGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2ccc(=O)n(CCOC)n2)c1 29490105 IJXVFEAUHCTEON-UHFFFAOYSA-N 451.505 -0.005 50 20 JBGD CCCn1nc(C(=O)NNC(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)c2ccccc2c1=O 746308350 IVRQAIBGLDWCNR-MRXNPFEDSA-N 470.530 -0.252 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(C1)CN(C(=O)c1cccn3c(O)nnc13)CCO2 1779029937 BZNVKYJGFPVECB-OAQYLSRUSA-N 466.458 -0.809 50 20 JBGD CC(=O)N[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21)C(C)(C)C 1784312779 RTTNPJIKQWFUHC-BOSXTWCSSA-N 453.584 -0.110 50 20 JBGD N[C@@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1cccnc1 1786930005 PNNRURDRMOQAHK-VMXMFDLUSA-N 452.320 -0.555 50 20 JBGD COC[C@H](NC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C(C)=N/NC(=O)c3ccc[nH]3)[C@H]2C1 1787508790 UJANOBIDCMZNQU-TULIZUNBSA-N 476.534 -0.749 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1C(=O)C=CC1=O)C2 1793879125 JVZUQIVEBIVEFL-AHXJXLJNSA-N 484.937 -0.367 50 20 JBGD CC(C)(C)OC(=O)N1CC[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)C1 1795734289 LMHMNWYMVANFEE-GNBUJSLZSA-N 487.362 -0.173 50 20 JBGD Nc1c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)sc2nccnc12 1795737424 FOIMWNNLALSJJD-YWVIFJGQSA-N 467.316 -0.530 50 20 JBGD O=C1CC[C@@H](C(=O)N2CSC[C@@H]2C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](F)Cl)N1 1796370449 KJKDKXOGWVONTC-JWAKXMNJSA-N 462.931 -0.710 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@@H]1NC(=O)NC1=O)C2 1798522742 SRKJOHGJPDDIPZ-TYYYEBLRSA-N 489.441 -0.679 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cc(C)n(C)n3)CCO2)C1 1830950465 OFTJEPSWHCSLEM-QADUPLGGSA-N 485.545 -0.139 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCC(N2CCC(NC(=O)[C@@H](N)c3ccccn3)CC2)CC1 1834724230 HBBXWMKODBYFMB-NRFANRHFSA-N 480.573 -0.035 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)c1ccccc1)CCO2 1835287029 OSYSFBWHMXQQTG-REWPJTCUSA-N 454.288 -0.830 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC1CCN(C2CCN(C(=O)c3ccncn3)CC2)CC1 1835736710 DWQOZGMEZQPMIL-UHFFFAOYSA-N 452.519 -0.026 50 20 JBGD CC(C)c1cc(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)no1 1835929539 UYHJNKDIVYQTPO-QFIPXVFZSA-N 457.292 -0.138 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(O)cn3)C2)C1 1837461150 PMHPHLWWXMTICW-QFIPXVFZSA-N 470.486 -0.902 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnn3c1CCC3)CCO2 1839532587 NKIFFXBSXCJMRG-QFIPXVFZSA-N 469.502 -0.788 50 20 JBGD COC(=O)c1ccc(CC(=O)N2CCOC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)s1 1840185847 ZDWQOPZLSZKKHV-JOCHJYFZSA-N 496.586 -0.093 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N1CCCC12CN(C(=O)c1cnccc1C(=O)NN)C2 1847090222 ZOERSFRXTZQIQO-HNNXBMFYSA-N 489.533 -0.729 50 20 JBGD O=C(CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)NNC(=O)N1CCOCC1 745992268 YDCPJTOJUHGTIT-UHFFFAOYSA-N 453.521 -0.627 50 20 JBGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)[C@@]12CCC(=O)N1CCS2 811914602 NUIOBFVQDRTROT-FQEVSTJZSA-N 482.584 -0.147 50 20 JBGD COC(=O)c1ccc(Br)c(S(=O)(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)c1 919960699 BDQWOWACQXBLMM-VIFPVBQESA-N 470.323 -0.085 50 20 JBGD CSCC[C@H](C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 920744153 ASZYYRFPWYAPLP-YIYPIFLZSA-N 460.578 -0.199 50 20 JBGD O=C(CS(=O)(=O)N1CCCC1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](O)CCl)C2 1778088589 SJQONGKTMDAGGK-IIDMSEBBSA-N 451.973 -0.474 50 20 JBGD Cc1nc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)c(=O)[nH]c1C 1779029616 ZXIRWWMTNSCQLT-OAQYLSRUSA-N 455.475 -0.857 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1779382830 YDDBUMNMTWYUHW-VVJWVBNBSA-N 458.435 -0.105 50 20 JBGD Cn1ccc(=O)cc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2 1780057706 DKHBCAAJHFBUFV-NFBKMPQASA-N 453.304 -0.494 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](C)n2cnnn2)C1 1782607219 YEOKAGKEAHIGIP-KJGJOIRFSA-N 471.522 -0.118 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CCc4nc[nH]c4C3)C2)C1 1784352418 SKCSBDUXPUGOMB-PEBXRYMYSA-N 453.503 -0.343 50 20 JBGD COc1cccc(OC)c1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795739936 SOZXPOALLXGBEI-VPTLXERWSA-N 454.288 -0.099 50 20 JBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1ccc3sccc3c1=O)C2 1797749824 XEKDGGGIAUAFLL-VTEUUUEMSA-N 496.549 -0.035 50 20 JBGD C[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)N1CSCSC1 1797842356 PFUYNYPJZNSHSV-SCNOPHJPSA-N 465.406 -0.387 50 20 JBGD CCOC(=O)c1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)ccn1 1798684528 MQDTWWBBMHHJIG-XEMDLRDOSA-N 467.287 -0.545 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Cl)C2 1802148556 GQHJDROSFXTGOF-WTNWGCMGSA-N 450.895 -0.121 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H](CNC(=O)c2cc(O)nc(O)n2)[C@@H]1c1cccnc1 1808303744 SCJMGUHXJZQAIR-ACJLOTCBSA-N 478.469 -0.085 50 20 JBGD C[C@H](C(=O)N1CC[C@@H](CNC(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1)n1cnnn1 1810308733 NEUQYCXZSNJTDA-XUWXXGDYSA-N 464.490 -0.353 50 20 JBGD CC[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)CCN3C(=O)C=CC3=O)CCO2)C1 1832025506 ZARAWPKCDLFQIO-LIRRHRJNSA-N 472.336 -0.069 50 20 JBGD O=C(CCN1C(=O)c2ccccc2C1=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1832531653 RRIAQXQAUHMIFH-JTSKRJEESA-N 479.917 -0.271 50 20 JBGD COc1nccnc1C(=O)NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1833969630 JAURXGNGBJWWNI-UHFFFAOYSA-N 467.335 -0.336 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1)c1cnn2cccnc12 1835534772 QWHFKRUFALAWAE-UHFFFAOYSA-N 476.346 -0.092 50 20 JBGD COC(=O)CSCC(=O)N1CCC(N2CCC(NC(=O)c3cnccc3C(=O)NN)CC2)CC1 1835734758 UFWIJNVKRWNJQF-UHFFFAOYSA-N 492.602 -0.224 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc(N)s3)CCO2)C1 1835843036 DPIBJQAHZUPGIX-IBGZPJMESA-N 461.504 -0.892 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCC(F)(F)C3)C2)C1 1835926001 GYQJNVRCTJQGSO-OXQOHEQNSA-N 452.263 -0.128 50 20 JBGD O=C(C#CC1(O)CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835938221 QUNNGKUXELCBAC-DEOSSOPVSA-N 470.331 -0.865 50 20 JBGD O=C(c1ccc2nn[nH]c2c1)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835939442 QZRWPBBUDWWMFZ-QFIPXVFZSA-N 465.275 -0.979 50 20 JBGD O=C(Cc1ccc(F)cc1F)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835939841 KPRQRZBPNXLACA-HSZRJFAPSA-N 474.269 -0.043 50 20 JBGD Cc1[nH]nc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cnccc4C(=O)NN)CCO3)C2)c1F 1837457029 SUKYLNDQMKMKSC-HXUWFJFHSA-N 461.454 -0.760 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(Cl)ncn3)CCO2)C1 1838257370 KUVQIUJXHWZCOO-HXUWFJFHSA-N 475.893 -0.488 50 20 JBGD COCc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)c1 1838515771 ZQGOTIYYGDOTRH-JOCHJYFZSA-N 472.502 -0.457 50 20 JBGD O=C1CCc2ccc(C(=O)N3CCO[C@@]4(COCCN(C(=O)c5cccc(B(O)O)c5)C4)C3)cc2N1 1839608379 ASDKLJACUUPXTQ-RUZDIDTESA-N 493.325 -0.365 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(OCCCO)cc3)C2)C1 1840186039 ZREOERHDFOQMHM-DEOSSOPVSA-N 492.573 -0.109 50 20 JBGD CC[C@H](O)C(=O)N1CCCC12CN(C(=O)[C@H](Cc1ccc(B(O)O)cc1)NC(=O)OC(C)(C)C)C2 1841280520 FYEVNVLWSYEQIN-OALUTQOASA-N 489.378 -0.224 50 20 JBGD CS(=O)(=O)c1ccc(CC(=O)N2CCCC23CN(C(=O)c2cccc(B(O)O)c2)C3)cc1 1842810557 HRRDQXICTMKKTQ-UHFFFAOYSA-N 456.329 -0.170 50 20 JBGD CS(=O)(=O)Cc1ncccc1C(=O)N1CC2(CCCN2C(=O)c2cnccc2C(=O)NN)C1 1844263755 QXKXSBAWOQWILQ-UHFFFAOYSA-N 472.527 -0.245 50 20 JBGD CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NNC(=O)C(=O)Nc2ccc(C)cc2)c1 15813667 KVBCNWDCCPCVQH-UHFFFAOYSA-N 463.516 -0.027 50 20 JBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2cc(S(=O)(=O)N3CCOCC3)cn2C)c1 16226038 HVXKFVSZNFTAOO-UHFFFAOYSA-N 499.571 -0.629 50 20 JBGD Cc1[nH]c2ccnn2c(=O)c1CC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 729165273 CQPATEDIBJTBTP-UHFFFAOYSA-N 474.499 -0.644 50 20 JBGD NC(=O)c1ccc(/C=C\C(=O)N2CCC[C@@H]2C(=O)NNC(=O)CNC(=O)c2ccco2)cc1 751203338 MFNRURVVKPLCDB-BSDKJSHOSA-N 453.455 -0.040 50 20 JBGD COc1cc2c(cc1OC)[C@@H](CC(=O)NNC(=O)c1nccnc1N)N(S(C)(=O)=O)CC2 824202035 DLAOXJJRCJQHTH-CYBMUJFWSA-N 464.504 -0.214 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(C1)CN(C(=O)c1ccccc1C(=O)OCCO)CCO2 1779032170 DTSVAWUEJVSQHQ-DEOSSOPVSA-N 497.508 -0.409 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(C1)CN(C(=O)c1c(O)cc(O)cc1O)CCO2 1779036718 DAQMAZREHIFJFS-NRFANRHFSA-N 457.443 -0.441 50 20 JBGD COc1ncccc1CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786980201 VBWUFHFVJIUPKT-JBACZVJFSA-N 467.331 -0.004 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21)c1ncn2nc(N3CCOCC3)ccc12 1787176137 MTSKZPGNMFGPAV-LAQRGFTBSA-N 492.964 -0.241 50 20 JBGD CN(CC(=O)Nc1ccc(C2(NC(=O)c3cccc(B(O)O)c3)CCC2)cc1)C(=O)C(=O)O 1791095394 RPRDUGSYGHPIPF-UHFFFAOYSA-N 453.260 -0.343 50 20 JBGD CN(CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1)C(=O)c1ccccc1 1795737801 UZXPZEBHKPTIGS-HATOLVCRSA-N 465.315 -0.658 50 20 JBGD CC[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(=O)n2[nH]nnc2n1 1796110556 DWDYGHITZYFEMY-WJZNIJOASA-N 454.285 -0.811 50 20 JBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@H](O)CNC(=O)OC(C)(C)C)C2 1801012604 RORIDNDIKBQRNY-QOIOWGMHSA-N 485.582 -0.775 50 20 JBGD O=C(NC[C@@H]1CCN(C(=O)c2cc(CO)on2)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807360261 JDSKJTKPDLKFGQ-JXFKEZNVSA-N 450.260 -0.125 50 20 JBGD CNC(=S)NCCC(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807362312 VFIIRAGTZYHJCE-YLJYHZDGSA-N 469.376 -0.435 50 20 JBGD O=C1NCCn2nc(C(=O)N3CCCC4(CCN(C(=O)c5ccc(B(O)O)cc5)CC4)C3)cc21 1808819067 KGJHYGRCXMFFQA-UHFFFAOYSA-N 465.319 -0.535 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1CCc2nc(NC(=O)[C@@H](O)N3CCOCC3)sc2C1 1819883369 AHMXXWJTYISENC-JSKJRFHCSA-N 489.558 -0.160 50 20 JBGD O=C(C(O)O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](Br)Cc3ccccc3)C2)C1 1830404791 SGQRNQYSBQLCHP-HNAYVOBHSA-N 457.321 -0.240 50 20 JBGD CNC(=O)CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](CCl)NC(=O)OC(C)(C)C)CCO2 1832549636 OVGIUKVKQIXFOZ-XOBRGWDASA-N 476.958 -0.289 50 20 JBGD COc1nn(C)cc1C(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834797384 HREDRLNLUPZNIU-UHFFFAOYSA-N 469.351 -0.393 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)Cc3cncnc3)CC2)CC1)c1cccc(B(O)O)c1 1834800023 QIUCCUSFDCAQEY-UHFFFAOYSA-N 451.336 -0.416 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)c3ccc(=O)oc3)CC2)CC1)c1cccc(B(O)O)c1 1834801054 LBSGFNFYXGGHDG-UHFFFAOYSA-N 453.304 -0.181 50 20 JBGD CC(C)CNC(=O)C(=O)NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1835127713 CQIAQPYRTLCNDU-UHFFFAOYSA-N 458.368 -0.676 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)c3cn4ccsc4n3)C2)C1 1835930565 NGVKNXPHKVFBDH-OAQYLSRUSA-N 470.316 -0.541 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)c3ccc4cccnc4n3)C2)C1 1835930620 QATZTFKPGLJTMM-DEOSSOPVSA-N 476.298 -0.307 50 20 JBGD CN1CCN(C2(C(=O)NC3CCN(C4CCN(C(=O)[C@@H](O)CCl)CC4)CC3)CC2)CC1 1836376830 JHNKYHKQIFHKSN-IBGZPJMESA-N 456.031 -0.062 50 20 JBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)c3cccnc3)C2)C1 1840150572 NUBSRMWXFWEZFH-OXJNMPFZSA-N 454.911 -0.478 50 20 JBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=O)c3cc(C)on3)C2)C1 1840153516 QNMRGUQYSBVGGH-LIRRHRJNSA-N 458.899 -0.577 50 20 JBGD O=C(CN1C(=O)CSC1=S)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1840897132 MUFJACLDKHJRRG-DOMZBBRYSA-N 484.369 -0.006 50 20 JBGD CCn1cnc2c1c(=O)n(CC(=O)NNC(=O)[C@H]1CSCN1C(C)=O)c(=O)n2Cc1ccccc1 921021269 JSRHRHVXOLWTSB-MRXNPFEDSA-N 499.553 -0.503 50 20 JBGD CC(=O)N[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN(C)NC(=O)NCc3ccccc3)C[C@@H]21 1790868479 UFZCOSZBMXNSSX-FIRPJDEBSA-N 488.589 -0.163 50 20 JBGD C[C@@H](Oc1cccnc1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1791651651 NYNKDURRODSSDO-GWKIZSTFSA-N 453.304 -0.178 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)[C@@H]1CCc2ccccc2[C@@H]1O 1793035186 JTGZFCWCNORNPH-DDFUWSPLSA-N 464.327 -0.134 50 20 JBGD CC(C)(C)OC(=O)N1CC[C@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795737816 WHTLEMJQJNXCLX-NBMJBFSESA-N 473.335 -0.421 50 20 JBGD CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1 1796191789 XLHYLNKMPOHRHQ-RDGPPVDQSA-N 475.351 -0.106 50 20 JBGD O=C(CN1C(=O)C=CC1=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1813173614 WXAJVNWSQONNDN-VGOFRKELSA-N 462.271 -0.994 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)CN2C(=O)C=CC2=O)[C@H]1c1cccnc1 1813178451 IFMZMIUICAJGRX-OPAMFIHVSA-N 456.503 -0.615 50 20 JBGD Cc1nc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)c(C)s1 1833149150 YSSSVHCCCNQFEB-QFIPXVFZSA-N 473.360 -0.248 50 20 JBGD CC(C)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc4n(n3)CCNC4=O)CCO2)C1 1834561140 ZWLCEBMYQKDCDP-HXUWFJFHSA-N 453.927 -0.039 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1ccc3c(c1)OCO3)CCO2 1835173176 YJXOADGQLKUFAI-QHCPKHFHSA-N 476.530 -0.213 50 20 JBGD COc1cccc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)c1F 1835934552 YKEDIKFQGYGHOR-HSZRJFAPSA-N 472.278 -0.102 50 20 JBGD COc1cc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)ccn1 1837457049 WHQFFHPDOCYRRS-XMMPIXPASA-N 498.540 -0.209 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3snnc3C3CC3)C2)C1 1837457752 PNKGYDVKNHKPIC-NRFANRHFSA-N 487.542 -0.202 50 20 JBGD COc1ccc2[nH]cc(C(=O)N3CCO[C@]4(COCCN(C(=O)c5ccc(B(O)O)cc5)C4)C3)c2n1 1838487661 BQWAWRNGSQVUDZ-DEOSSOPVSA-N 494.313 -0.365 50 20 JBGD COC(=O)C1(C(=O)N2CCO[C@]3(COCCN(C(=O)/C(C)=N/NC(=O)c4ccc[nH]4)C3)C2)CC1 1839897025 TYABBBBPJGZKMZ-SGSZHJQISA-N 475.502 -0.470 50 20 JBGD O=C(/C=C/c1cccc(O)c1)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1839924888 MYRSYPQCYZOCEY-QMASLXIKSA-N 466.299 -0.145 50 20 JBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C2)C1 1840152861 WZTNLUASWQBDDI-BUFPBVFASA-N 469.926 -0.169 50 20 JBGD COC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)c1ccc(B(O)O)cc1)C2 1846212252 QSZHEAUIYJAILF-QGZVFWFLSA-N 489.334 -0.360 50 20 JBGD Cn1nc(SCC(=O)N/N=C2/C(=O)Nc3ccc(Br)cc32)c(=O)n(C)c1=O 18887067 AZAPIRQTRWFTPN-UHFFFAOYSA-N 453.278 -0.194 50 20 JBGD C[C@@H]([C@@H](C)NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)N1CCOCC1 729623384 KSPQGDYYUPHQCJ-CVEARBPZSA-N 469.564 -0.239 50 20 JBGD CCn1cnc2c1c(=O)n(CC(=O)NNC(=O)CCCS(C)(=O)=O)c(=O)n2Cc1ccccc1 731183908 IZZHZXSPCCPRJY-UHFFFAOYSA-N 490.542 -0.600 50 20 JBGD Cc1csc(CC(=O)NNC(=O)COC(=O)c2cc(S(=O)(=O)N3CCOCC3)cn2C)n1 760760881 CZVQOZCJVFAESK-UHFFFAOYSA-N 485.544 -0.642 50 20 JBGD O=C(CCCN1C(=O)CNC1=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 920213788 PWPHYMIMVWZYEG-UHFFFAOYSA-N 481.531 -0.881 50 20 JBGD O=C(CN1CCCC1=O)NNC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O 920433102 NUAYAOHMDVXNOO-ZDUSSCGKSA-N 450.473 -0.607 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)C[C@H](N)c3cccnc3)CCO2)C1 1779030911 KBSBXKOMUIRVIB-AVRDEDQJSA-N 453.503 -0.386 50 20 JBGD CCOC(=O)C1(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cccc(B(O)O)c2)C3)CC1 1781622278 FNBFVHOQEFHCIJ-XMSQKQJNSA-N 458.320 -0.163 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](N)CCC(N)=O)C[C@@H]21 1785076484 LRLGCGYKWRVJTJ-QXKUPLGCSA-N 490.001 -0.309 50 20 JBGD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1785508873 KQLDYKACPMFFLN-BVBLWJPBSA-N 468.271 -0.360 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)CS(C)(=O)=O)C[C@@H]21 1787506939 UYAJCWMCBYZRCF-BLSIWXNBSA-N 481.575 -0.219 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CC[C@H]4CCC(=O)N4C3)[C@H]2C1 1789769520 NWNUAWXKSPEHGA-MWTROVGWSA-N 484.557 -0.321 50 20 JBGD O=C(Cn1ccc2sccc2c1=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1794041750 KHBYFOJIKXHXNH-VPTLXERWSA-N 481.339 -0.354 50 20 JBGD COC(=O)[C@H]1CCC[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)C1 1800963300 CPPNXWZYDDIDFA-LZRWSTQFSA-N 458.320 -0.451 50 20 JBGD CN(C)C(=O)c1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)c1 1801913965 ORJFDJWZGJGCNA-CEQLMSFQSA-N 465.315 -0.415 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H](CNC(=O)CN2C(=O)CNC2=O)[C@@H]1c1cccnc1 1804090987 MUZUOTHMQZWEMM-FYRPCYDASA-N 494.512 -0.227 50 20 JBGD O=C(NC[C@@H]1CCN(C(=O)CSc2nc[nH]n2)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807363797 BSAZZCWCCWOSLC-LPHOPBHVSA-N 466.332 -0.009 50 20 JBGD CCNC(=O)N[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1810236974 DZNFWFHFIQDYRE-ZTNFWEORSA-N 467.335 -0.211 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H](CNC(=O)CNC(N)=O)[C@@H]1c1cccnc1 1814224137 FMPRQAJRIDUJAX-FRXQJERCSA-N 454.491 -0.110 50 20 JBGD CS(=O)(=O)CC(=O)N[C@H]1CCc2nc(NC(=O)c3cnccc3C(=O)NN)sc2C1 1819795204 JTNQONNGZVVPGL-VIFPVBQESA-N 452.518 -0.588 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCC([C@H]2CCCCN2C(=O)CN(CCO)CCO)CC1 1831488587 RDBPHFKBQSMPAX-LJQANCHMSA-N 455.600 -0.734 50 20 JBGD COc1cc(C(=O)NC2CCN(C3CCN(C(=O)c4cccc(B(O)O)c4)CC3)CC2)n(C)n1 1833953118 LJFFVMYAZIHPGP-UHFFFAOYSA-N 469.351 -0.393 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc(N)s3)CCO2)C1 1835843037 DPIBJQAHZUPGIX-LJQANCHMSA-N 461.504 -0.892 50 20 JBGD 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451.387 -0.288 50 20 JBGD CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](C(=O)N2CC3(CCCN3C(=O)c3cccc(B(O)O)c3)C2)C1 1843014514 RSVQIFPEHMWZLR-QZTJIDSGSA-N 473.335 -0.589 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C[C@@H]1NC(=O)NC1=O 1848095597 CIBNUKZCERSVOT-CYDGBPFRSA-N 457.915 -0.082 50 20 JBGD O=C(CNC(=O)c1ccco1)NNC(=O)NCc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 725871375 KEMLTMVBIAOZGL-OAHLLOKOSA-N 479.515 -0.003 50 20 JBGD Cn1nnnc1SCCC(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 917933861 RGCRPIRPOTXZTC-UHFFFAOYSA-N 483.576 -0.507 50 20 JBGD O=C(CCNS(=O)(=O)c1ccc(Br)cc1)NNC(=O)N[C@H]1CCS(=O)(=O)C1 920212397 IBCJHUFAEWKTJK-NSHDSACASA-N 483.366 -0.365 50 20 JBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](O)CCl)C2)c1n[nH]c2c1CS(=O)(=O)C2 1777711649 GTMYPOYMJWJZOH-PMUMKWKESA-N 460.940 -0.435 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]c4c3CCCC4)C[C@@H]21)c1ccc(B(O)O)cc1 1786979938 RFSXVIDANBCVIV-QSFXBCCZSA-N 452.320 -0.125 50 20 JBGD 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CC(C)(C)OC(=O)N1CCN(CC(=O)N2CC3(CCCN3C(=O)c3cccc(B(O)O)c3)C2)CC1 1843015300 BMAWSVWKGUZKHN-UHFFFAOYSA-N 486.378 -0.264 50 20 JBGD O=C(COC(=O)CNS(=O)(=O)c1ccc2c(c1)COC2)NNC(=O)[C@@H]1COc2ccccc2O1 728343088 UGNUXIXZFCWQJG-SFHVURJKSA-N 491.478 -0.474 50 20 JBGD COc1cc2c(cc1OC)[C@H](CC(=O)NNC(=O)CCCS(C)(=O)=O)N(S(C)(=O)=O)CC2 731223810 OVULLPNYRDUEHM-HNNXBMFYSA-N 491.588 -0.075 50 20 JBGD COc1cc2c(cc1OC)[C@H](CC(=O)NNC(=O)[C@H]1CCN(C)C(=O)C1)N(S(C)(=O)=O)CC2 910848242 NKGJIZJGTODVNW-HOCLYGCPSA-N 482.559 -0.032 50 20 JBGD CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1783612083 MZEMZXAJCFMEAL-XGKMFUNXSA-N 461.943 -0.214 50 20 JBGD CC(=O)N[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)C(C)(C)C 1784315659 XWOQNUBQJJPNCZ-FRYIKTPZSA-N 459.352 -0.490 50 20 JBGD COc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cnccc4C(=O)NN)C[C@@H]32)cn1 1784761393 DVHNEIGPTDHQAK-WBAXXEDZSA-N 454.487 -0.004 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc4c(c3)OCO4)C[C@@H]21)c1ccc(B(O)O)cc1 1786979395 DDBSMFDHHCFXPO-JLMWRMLUSA-N 466.299 -0.069 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc4c3NC(=O)C4=O)[C@H]2C1 1788436682 IRMSOMWFIZIKFJ-JQFCIGGWSA-N 471.514 -0.212 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)[C@H]1COc2ccccc2O1 1793840833 XHJRJVUJKQBTPS-VAKZPMALSA-N 452.272 -0.590 50 20 JBGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCc2nc(O)nc(O)c2C1 1794111788 WDNWRIJDZGUQGA-JNZVMSIHSA-N 454.911 -0.164 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CS(=O)(=O)N1CCCC1)C2 1798440497 XVDNUIYVVPUVKD-QDMKHBRRSA-N 464.548 -0.638 50 20 JBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(-n2c(O)nnc2O)cc1)c1ccc(B(O)O)cc1 1799309858 AJDFOVVLIVXHAS-GGPHIMKMSA-N 477.286 -0.076 50 20 JBGD CC(C)(C)OC(=O)N1CC[C@H]2C[C@]21C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1800772674 NMNBISHDRLBOSX-QRSWUFQOSA-N 499.373 -0.031 50 20 JBGD CCNC(=O)N[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807362249 VCSKWUOAJISQNW-BPAFIMBUSA-N 467.335 -0.211 50 20 JBGD CCS(=O)(=O)N[C@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)c3cnccc3C(=O)NN)sc2C1 1819792946 FFAFIIXXXUBLHU-MNOVXSKESA-N 495.587 -0.305 50 20 JBGD O=C([C@H](O)CCl)N1CCO[C@@]2(COCCN(C(=O)C(F)(F)C(F)(F)C(=O)O)C2)C1 1830726964 YLVURKRRNZQKBQ-RNCFNFMXSA-N 450.769 -0.602 50 20 JBGD CCc1ncccc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1833514270 MZSMRASQOLHKCP-HSZRJFAPSA-N 453.304 -0.292 50 20 JBGD Cn1ccc(=O)cc1C(=O)N1CCC(N2CCC(NC(=O)c3cccc(B(O)O)c3)CC2)CC1 1834801062 IPNBKYNJFJZNCZ-UHFFFAOYSA-N 466.347 -0.436 50 20 JBGD C[C@@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)CNCP(=O)(O)O)CCO2)C1 1835537468 KIQNVTOEIPEMGE-WFASDCNBSA-N 472.273 -0.801 50 20 JBGD C[C@@H](NNc1ccccc1)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835926258 JKMHOSGUEPAPPW-KOSHJBKYSA-N 482.346 -0.558 50 20 JBGD COc1cccc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)n1 1835926969 AOBXBXROTSIMHP-DEOSSOPVSA-N 483.330 -0.527 50 20 JBGD CCOc1cccc(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)c1O 1835932090 NKGJATWTYLUIRR-DEOSSOPVSA-N 484.314 -0.146 50 20 JBGD C[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835932227 UWEKRLJFUVAAHE-UGSOOPFHSA-N 455.114 -0.780 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)CSc3ncccn3)C2)C1 1837457567 JLBSSGALOMZZKU-OAQYLSRUSA-N 487.542 -0.663 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3c(O)cc(O)cc3O)C2)C1 1837459278 BALAYKNTAGXRTO-JOCHJYFZSA-N 487.469 -0.814 50 20 JBGD CNC(=S)NCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1837467109 XNOOKRMPVBQPCH-IUODEOHRSA-N 455.350 -0.383 50 20 JBGD Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)n(C(F)F)n1 1838711901 DBYQXJBVVLWZRS-OAQYLSRUSA-N 478.261 -0.350 50 20 JBGD C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1840090051 UOEFAAZRTJXCEI-ZHRRBRCNSA-N 485.582 -0.271 50 20 JBGD CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843012350 GBLAYONLPJQHCO-MSOLQXFVSA-N 473.335 -0.446 50 20 JBGD COC[C@@H](NC(C)=O)C(=O)N1CCCC12CN(C(=O)CN(C)NC(=O)NCc1ccccc1)C2 1844386384 ZTJFRXKNZURKOC-LJQANCHMSA-N 474.562 -0.313 50 20 JBGD COc1cc(OC)cc(C(=O)NNC(=O)Cn2c(=O)oc3cc(S(N)(=O)=O)ccc32)c1 29456409 XDVMSPDSKYJENB-UHFFFAOYSA-N 450.429 -0.280 50 20 JBGD O=C(COC(=O)c1ccc(N2NC(=O)CCC2=O)cc1)NNC(=O)[C@@H]1COc2ccccc2O1 728333537 IQNUNYLALIUFKP-KRWDZBQOSA-N 468.422 -0.011 50 20 JBGD CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NNC(=O)C2CCN(c3ncccn3)CC2)c1 728845973 RJZAIPSSWXQNGM-UHFFFAOYSA-N 491.574 -0.267 50 20 JBGD Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)NNC(=O)N3CCOCC3)CC2)cc1 745992570 DLYIXJMLCPFNMA-UHFFFAOYSA-N 467.548 -0.319 50 20 JBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNS(=O)(=O)c2ccc(-n3cnnn3)cc2)c1 747410599 XWZLYSMGEDTONX-UHFFFAOYSA-N 451.490 -0.464 50 20 JBGD CS(=O)(=O)c1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)nc1 1779028913 PRTXNJMSUXSDNC-NRFANRHFSA-N 488.526 -0.759 50 20 JBGD COc1cc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cccc(B(O)O)c2)C3)nn1C 1780242704 LYQCDOSHYDQHKF-XMSQKQJNSA-N 456.308 -0.450 50 20 JBGD O=C(CS(=O)(=O)N1CCCC1)N1CCO[C@]2(CCN(C(=O)[C@@H](F)Br)C2)C1 1781331608 TWOPAFOTRVDYGH-UKRRQHHQSA-N 456.334 -0.068 50 20 JBGD C[C@H](Nc1nccs1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786979718 BOJVEFAPRMZZGA-IKICRFKJSA-N 458.349 -0.083 50 20 JBGD Cc1ccc(C(=O)NCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)cc1 1786986955 ZDNLWCYQBGEVDR-BVSLBCMMSA-N 479.342 -0.302 50 20 JBGD COc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)cc([N+](=O)[O-])c1OC 1799841366 CZLDCGCMQPLEHW-CWPLJXCYSA-N 499.285 -0.191 50 20 JBGD CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1801962683 LELNCXJBHPQAMG-NBMJBFSESA-N 475.351 -0.127 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H](CNC(=O)CN2CCOCC2)[C@@H]1c1cccnc1 1806904675 DGOAAPCPGVQEFE-UTKZUKDTSA-N 467.530 -0.268 50 20 JBGD O=C1NC(=O)[C@H](CC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)N1 1825071780 LGFZMSDINFMSEQ-ROUUACIJSA-N 456.308 -0.802 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)C[C@H]2NC(=O)NC2=O)CC1 1825074753 PQIPNSRQRZZYOI-SJORKVTESA-N 471.518 -0.484 50 20 JBGD Cc1cn(CC(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2ccc(B(O)O)cc2)CC3)c(=O)nc1O 1827990284 OUWXFTMEXKVCFA-AWEZNQCLSA-N 483.315 -0.680 50 20 JBGD CN1CCC(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)CC1 1830000791 MZGQMWSMULEOBI-QHCPKHFHSA-N 459.352 -0.832 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@](C)(O)C(F)(F)F)CCO2 1832166032 JWMXFQNBGFSAOZ-IAGOWNOFSA-N 454.446 -0.871 50 20 JBGD C[C@@](Cl)(CCl)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CC(=O)NC3=O)CCO2)C1 1832480188 BBDLORVZCUAINQ-SJORKVTESA-N 451.307 -0.769 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)c1cccnc1OCC1CC1)CCO2 1833625417 VJIIIAANEWFONA-VWLOTQADSA-N 495.341 -0.066 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCc4ccoc4C3)C2)C1 1835925924 AXZPAJVUKWQHLZ-DVECYGJZSA-N 468.315 -0.166 50 20 JBGD CCN(CC)C[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835932278 XTGNKHQYXTXSKI-FDDCHVKYSA-N 461.368 -0.586 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)c3ccccc3-n3nccn3)C2)C1 1835932310 YTAXYIPUFUMENG-DEOSSOPVSA-N 491.313 -0.669 50 20 JBGD CN1CCC(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)CC1 1835933746 CALNREQUUOXWPB-HSZRJFAPSA-N 459.352 -0.832 50 20 JBGD C[C@@H](Cc1ccco1)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835933971 KIIWNMJWODXTCL-SBUREZEXSA-N 456.304 -0.092 50 20 JBGD O=C(c1ccc2nc[nH]c2c1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835937411 UVVKJUGCAATSJV-HSZRJFAPSA-N 464.287 -0.374 50 20 JBGD CC(=O)O[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1)C(C)C 1837221952 MQBKCVYGNKZYBJ-XMSQKQJNSA-N 477.518 -0.657 50 20 JBGD COc1ccccc1OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnccc1C(=O)NN)CCO2 1837456136 JIKBXVVFRGPJTR-XMMPIXPASA-N 499.524 -0.157 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)Cc3ccccc3)C2)C1 1837460789 KPMGOPLMLQWAJB-YKSBVNFPSA-N 483.525 -0.641 50 20 JBGD CC(C)CNC(=O)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1837919286 BXDMGKMIMAKNEP-UHFFFAOYSA-N 459.352 -0.249 50 20 JBGD CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1839227065 IXACWUZYOQVDGX-QVKFZJNVSA-N 462.507 -0.444 50 20 JBGD C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840185426 QNEYFAMRHCNTBC-NRFANRHFSA-N 454.524 -0.675 50 20 JBGD Cc1cnn([C@@H](C)C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)c1 1840404928 FNWQZGJLILHPHC-KSFYIVLOSA-N 471.518 -0.479 50 20 JBGD C[C@@H](O)[C@H](NC(=O)c1ccccc1)C(=O)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843012856 NGKXVRCKYQSMKF-UZLBHIALSA-N 465.315 -0.637 50 20 JBGD CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)c1ccc(B(O)O)cc1)C2 1847041400 LYVKGYFMBNSJQJ-QGZVFWFLSA-N 489.334 -0.360 50 20 JBGD CC(=O)NCC(=O)N1CCC[C@H]1C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 728512561 ZNPYWXOKELDCOO-SFHVURJKSA-N 479.559 -0.251 50 20 JBGD C[C@@H](C(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)N1C(=O)CCC1=O 916033246 SDBYFEFLFHXUEH-AWEZNQCLSA-N 466.516 -0.675 50 20 JBGD CN1CCN(C(C)(C)CNC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)CC1 916259108 UQOFZXKACRQORZ-UHFFFAOYSA-N 482.607 -0.323 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@]2(CN(C(=O)CN3CCNC3=N)CCO2)C1 1780096733 GNWZJYAEOMZYHL-OAQYLSRUSA-N 474.474 -0.196 50 20 JBGD CC[C@@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(=O)n4[nH]nnc4n3)[C@H]2C1 1787271041 SDPHLKWRHBFWSS-KQXIARHKSA-N 468.312 -0.421 50 20 JBGD COCCn1nccc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C(C)=N/NC(=O)c1ccc[nH]1)C2 1796585596 OQLIXBFSKMJLMJ-LLJCUJCISA-N 471.518 -0.133 50 20 JBGD C=CC(=O)N[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN(C)NC(=O)NCc1ccccc1 1799097197 IEULFIXOUGJPSE-UYZIEWPDSA-N 486.573 -0.387 50 20 JBGD O=C(NC[C@H]1CCN(C(=O)CN2CCCC2=O)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807362787 JOCLCFBIWNMCTL-XMSQKQJNSA-N 450.304 -0.297 50 20 JBGD C[C@@H](Cn1cncn1)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1820065540 GDTVJVKXNVCRSN-WFASDCNBSA-N 454.321 -0.024 50 20 JBGD Cc1nc(CC(=O)N2CCO[C@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)cs1 1832972135 BAQVREMXSBOZNM-FQEVSTJZSA-N 453.565 -0.177 50 20 JBGD CS(=O)(=O)c1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)cc1 1835349811 ZIBUHHAXPZDHKP-XLIONFOSSA-N 474.963 -0.311 50 20 JBGD CC(=O)Nc1cccc(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)n1 1835927094 DYUYPZQUQTXMNC-QHCPKHFHSA-N 482.302 -0.896 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)c3cc4cnccc4[nH]3)C2)C1 1835930762 YTLNOQRRQHUOJY-HSZRJFAPSA-N 464.287 -0.374 50 20 JBGD N#Cc1ccccc1OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835934481 VIYMTDIFTMHRHO-XMMPIXPASA-N 479.298 -0.613 50 20 JBGD O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835939021 BYZBJVCTUFVVEZ-JOCHJYFZSA-N 487.249 -0.203 50 20 JBGD O=C1Cc2cccc(C(=O)N3CCOC[C@]4(CN(C(=O)c5cccc(B(O)O)c5)CCO4)C3)c2N1 1835939079 DSVDGSLHRZJYEU-DEOSSOPVSA-N 479.298 -0.755 50 20 JBGD O=C(CCc1cccc(O)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835939764 GUMBXAVUEXOROD-XMMPIXPASA-N 468.315 -0.225 50 20 JBGD CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1836213728 PMFGQFSJWBMWAJ-CMBDLQSPSA-N 491.969 -0.587 50 20 JBGD CC[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3nc(N)n[nH]3)C2)C1 1839965249 RXCLWKGWXINEGC-PXAZEXFGSA-N 459.345 -0.051 50 20 JBGD Cc1nn(C)c(C)c1CC(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1840437448 MPLGGAREJYZSLB-JOCHJYFZSA-N 464.567 -0.591 50 20 JBGD Cc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)o1 1840507300 CHALPTLWQRUOSA-JOCHJYFZSA-N 457.487 -0.101 50 20 JBGD COCCn1cnc2c1c(=O)n(CC(=O)NNC(=O)N1CCOCC1)c(=O)n2Cc1ccccc1 27337486 OAAKCCNLMJCEIQ-UHFFFAOYSA-N 485.501 -0.873 50 20 JBGD Cn1c(=O)c(C(=O)N2CC[C@@]3(CN(C(=O)c4cnccc4C(=O)NN)CCO3)C2)nc2ccccc21 1777887356 ABRPIFDIBQYEKI-DEOSSOPVSA-N 491.508 -0.311 50 20 JBGD COc1ccc(C(=O)N2CC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)c(O)c1OC 1781825380 IJCLOOOHEGPABD-HSZRJFAPSA-N 470.287 -0.154 50 20 JBGD NC[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1)c1ccccc1 1786980020 ZBUNDTLZKJKXNH-QESAQDPVSA-N 451.332 -0.298 50 20 JBGD COCCn1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)n1 1787636100 BQOFFVZKBMMJHS-QRFRQXIXSA-N 456.308 -0.884 50 20 JBGD Cc1c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]32)cn2[nH]cnc(=O)c12 1789177145 MUBXUPBCHKVYMQ-XIRDDKMYSA-N 473.534 -0.703 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NNC(=O)C3)C[C@@H]21 1789221789 DXZZTCICLIMAJF-QITLCBANSA-N 473.442 -0.011 50 20 JBGD COC(=O)CSCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C(C)=N/NC(=O)c1ccc[nH]1)C2 1793364103 NUQCEFAYZJPNGW-UXTUBLPOSA-N 465.532 -0.384 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CC(=O)N(Cc3cccs3)C1)C2)c1ccc(B(O)O)cc1 1795733035 ZPQHPWPKVHQQEX-AYMMHLMVSA-N 497.382 -0.320 50 20 JBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(Cl)c3nncn3c1)C2 1797751745 QZUGBURIEBFTFU-FVCICTRLSA-N 484.904 -0.102 50 20 JBGD COc1ccc(F)cc1CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1801098965 XBYAFTXISLRLPZ-FAQVEIGNSA-N 456.279 -0.040 50 20 JBGD O=C(NCC(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1)c1cccnc1 1807369704 RZZHKGCGORSVQH-WMZHIEFXSA-N 487.325 -0.094 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1CCN(C(=O)CC[C@H](N)C(N)=O)[C@H]1c1cccnc1 1808414673 KZLIEAZUIAIQIY-VCNDSEKESA-N 482.545 -0.186 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@H]1CCN(C(=O)[C@@H]2CCC(=O)N2)[C@@H]1c1cccnc1 1810299120 NPNYANORMGZTTD-DKSSEZFCSA-N 451.487 -0.322 50 20 JBGD O=C(O)c1cnncc1C(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1810796527 HGLWNAMFLWQHOR-UZLBHIALSA-N 475.270 -0.117 50 20 JBGD CC(C)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(=O)n4[nH]nnc4n3)C2)C1 1830357533 FPGNKUYOBHCDOU-SFHVURJKSA-N 453.887 -0.852 50 20 JBGD Cc1ccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)cn1 1832901411 CBAGBQOAAMMJCJ-XMMPIXPASA-N 467.331 -0.227 50 20 JBGD CCS(=O)(=O)CC(=O)NC1CCN(C2CCN(C(=O)c3cnccc3C(=O)NN)CC2)CC1 1833454180 VAOFRSTWIHIPEE-UHFFFAOYSA-N 480.591 -0.695 50 20 JBGD COc1ncc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)cc1F 1833487102 BPHUMFDZVOPYIM-OAQYLSRUSA-N 467.498 -0.328 50 20 JBGD CC(C)n1nc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)cc1C(=O)O 1833604789 IXBLZWKIAULUGQ-DNVCBOLYSA-N 458.899 -0.168 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3CCC(=O)N3)CCO2)C1 1835117341 DXIFFRGYCGSZLO-GXZWQRSESA-N 488.969 -0.147 50 20 JBGD CC(C)N1CCC[C@H]1C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835933842 HKJOUSHJNOKOMV-NZQKXSOJSA-N 459.352 -0.691 50 20 JBGD O=C(COc1cccnn1)N1CCC(OC2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1837921061 WRNBHHXKJPWTML-UHFFFAOYSA-N 468.319 -0.152 50 20 JBGD CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)N2CC3(CCCN3C(=O)c3cnccc3C(=O)NN)C2)C1 1844265261 LSCIGMMCQRJLTA-QHCPKHFHSA-N 488.545 -0.126 50 20 JBGD COCCNS(=O)(=O)c1ccc(CNC(=O)NNC(=O)CNC(=O)c2cccs2)cc1 725872545 DPHNHYSANAJWCQ-UHFFFAOYSA-N 469.545 -0.067 50 20 JBGD CS(=O)(=O)c1nc(C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c2ccccn12 728333654 KVRDUFWBFFVGIN-HNNXBMFYSA-N 474.451 -0.118 50 20 JBGD Cc1cc(C)n(CC(=O)NNC(=O)c2cncc(C(=O)NNC(=O)Cn3nc(C)cc3C)c2)n1 917391909 MLRLTATYLOLIAK-UHFFFAOYSA-N 467.490 -0.369 50 20 JBGD CN(CC(=O)NNC(=O)c1ccc(CSc2nncn2C)cc1)[C@@H]1CCS(=O)(=O)C1 1248595997 VUSNIJDBZVIUKX-OAHLLOKOSA-N 452.562 -0.013 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc[n+]([O-])c1)C2 1779371049 KHKMYJRDFWNWQS-XMSQKQJNSA-N 454.487 -0.240 50 20 JBGD C[C@H](NC(=O)c1ccccn1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2 1781488769 ASRIPJVJZNHIDD-SMTRDTIPSA-N 494.357 -0.293 50 20 JBGD CCS(=O)(=O)N[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C[C@@H]21 1784439801 CUCZCVQYEXUABK-BLSIWXNBSA-N 496.590 -0.572 50 20 JBGD C[C@H](NC(=O)c1ccccc1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1792247951 SOSCKSRIFJDNPM-PWZKMPOXSA-N 479.342 -0.222 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(F)(F)C(F)(F)C(=O)O 1793729783 VWUBLEQTMDEACZ-BZBKMWRSSA-N 477.371 -0.757 50 20 JBGD CS(=O)(=O)CCC(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807368267 RMPUDKCJOCMTET-PXNSSMCTSA-N 459.333 -0.484 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1813071101 NDCRVCKHACEIEJ-PGRDOPGGSA-N 467.335 -0.546 50 20 JBGD O=C1C[C@H](C(=O)NC[C@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)CCN1 1813134192 WTAOBMFGBRXWEI-FQELHTAISA-N 450.304 -0.393 50 20 JBGD CC(=O)N1CCN(CC(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1827051945 KVEAAHQZYWRLLG-HSZRJFAPSA-N 484.406 -0.236 50 20 JBGD O=C(C(O)O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCN2C(=O)OCc1ccccc1 1828548664 NSTRQVVTQPRRHJ-MGPUTAFESA-N 455.895 -0.651 50 20 JBGD Cn1cccc(C(=O)N2CCC(N3CCC(NC(=O)c4cccc(B(O)O)c4)CC3)CC2)c1=O 1834799845 HPVDPFOGKDEVBC-UHFFFAOYSA-N 466.347 -0.436 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)c3ncn(-c4ccccc4)n3)C2)C1 1835936960 LZZCLXPIFPIQCE-DEOSSOPVSA-N 491.313 -0.669 50 20 JBGD Cc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)cn1 1837457084 VGLCXBPMYGLMAO-QHCPKHFHSA-N 468.514 -0.299 50 20 JBGD Cn1nc2c(c1C(=O)N1CCOC[C@]3(CN(C(=O)c4cnccc4C(=O)NN)CCO3)C1)CCC2 1837459834 NJPAQCTXFXATDZ-QHCPKHFHSA-N 483.529 -0.709 50 20 JBGD C[C@H](Nc1cnccn1)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837459967 XMOMJFRCXKUJOG-NYHFZMIOSA-N 484.517 -0.954 50 20 JBGD O=C(Cc1cn2c(nc1=O)SCC2)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1 1839044811 ZJEWXGOBHOEADT-KDOFPFPSSA-N 460.915 -0.118 50 20 JBGD CN(CC(=O)N1CCO[C@@]2(COCCN(C(=O)C3CC(O)C3)C2)C1)NC(=O)NCc1ccccc1 1839054022 CFJFMAUBJQUWCV-IMQCZEGASA-N 489.573 -0.440 50 20 JBGD C[C@H](Br)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCCS1(=O)=O)CCO2 1839784598 RWMBESQEELCIMR-HEHGZKQESA-N 453.355 -0.197 50 20 JBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](CO)NC(=O)OC(C)(C)C)C2)C1 1840152905 YKDSFXJEHFVLHA-AUSJPIAWSA-N 479.958 -0.418 50 20 JBGD CC(=O)Nc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)cc1 1840726839 RSGNWTDYNRTWHP-XMMPIXPASA-N 481.314 -0.291 50 20 JBGD O=C(COC(=O)c1ccc(S(=O)(=O)CCO)cc1)NNC(=O)[C@H]1COc2ccccc2O1 728340104 UCTTZRDBTHCGKD-QGZVFWFLSA-N 464.452 -0.403 50 20 JBGD C[C@@H](Oc1ccccn1)C(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779034793 UWJMQKIYXADEIO-QRQCRPRQSA-N 454.487 -0.009 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)CCc3ccc(O)nn3)CCO2)C1 1779037076 MMYOYJISJRLCCT-NRFANRHFSA-N 455.475 -0.743 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc3c(n1)NC(=O)CC3)CCO2 1783933906 LZFDVSVSBQZPBK-QFIPXVFZSA-N 458.519 -0.217 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](O)CCNC(=O)OC(C)(C)C)CCO2 1783934756 LTHXLSOWIFYHNY-ZHRRBRCNSA-N 485.582 -0.535 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1nc3c(=O)[nH]c4ccccc4n3n1)CCO2 1783936379 VGJNNZLWWCVXCP-HSZRJFAPSA-N 496.528 -0.613 50 20 JBGD C[C@@H](NC(=O)c1ccccc1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786986952 YZEZIMCODZFWFE-XEHJXZTKSA-N 479.342 -0.222 50 20 JBGD CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21 1787127066 XHIMTRIFQQBKBZ-JNNCMOEMSA-N 475.970 -0.064 50 20 JBGD COc1ccc([C@H](O)C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)cc1 1792712985 MCGHYIAHOFFMME-JWWGGVBKSA-N 454.288 -0.688 50 20 JBGD C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807359824 LSMXOAXEMAPLTO-SXWFDJJXSA-N 462.315 -0.061 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807361461 QCTPTABBNLBPPI-DYESRHJHSA-N 488.313 -0.607 50 20 JBGD CN[C@H](CC(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)C(=O)O 1807370411 CVWAZAJTZRHPEK-POAQFYNOSA-N 454.292 -0.856 50 20 JBGD CNC(=S)NCCC(=O)N1CC[C@H](CNC(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1810302637 MACVFLJZOAYCBO-BEFAXECRSA-N 484.586 -0.116 50 20 JBGD CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1 1817476562 WSRPCGQDSNYKPQ-RTBURBONSA-N 486.290 -0.110 50 20 JBGD NNC(=O)c1ccncc1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CN1CCCC1=O)CC2 1819795209 KBJZUWHWJNDDJI-LLVKDONJSA-N 457.516 -0.010 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@](C)(O)C(F)(F)F)CCO2 1832157298 WOQVLLLLMVFVED-WLVOPDRHSA-N 489.451 -0.110 50 20 JBGD CN1Cc2ccccc2C[C@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1832468981 VAVDYHQPTIVHQI-JYFHCDHNSA-N 493.369 -0.507 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccn(C)n1)CCO2 1834245727 VUSWGSRQLJMOCK-VQYZLWMVSA-N 457.491 -0.376 50 20 JBGD C[C@@H](C(=O)N1CCC(N2CCC(NC(=O)c3cccc(B(O)O)c3)CC2)CC1)n1cncn1 1834801500 PWVGNQLWBPVVFY-INIZCTEOSA-N 454.340 -0.596 50 20 JBGD O=C(CCBr)N1CCO[C@@]2(COCCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1 1834824817 MXOUHRKHNJQKTK-SFHVURJKSA-N 487.307 -0.002 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)c3[nH]nc4ccncc34)C2)C1 1835928668 UTCHKVXJSPQHNN-JOCHJYFZSA-N 465.275 -0.979 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4ccccc34)C2)C1 1835930780 ZIBHYULLGUKVNK-HSZRJFAPSA-N 464.287 -0.374 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)c3ccnc4ncccc34)C2)C1 1835932149 QJSVHARTGVCNEG-XMMPIXPASA-N 476.298 -0.307 50 20 JBGD O=C(/C=C/c1cccc(O)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835940176 XWINANOLOCKROE-PRSVDJLGSA-N 466.299 -0.145 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc[nH]c3nccc1-3)CCO2 1836440933 NWQDZJFYNIIYRE-JOCHJYFZSA-N 458.519 -0.043 50 20 JBGD CCn1nc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)cc1C 1837458756 AGOKLWLISVWOQA-QFIPXVFZSA-N 471.518 -0.406 50 20 JBGD Cc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)nc2nccn12 1837459592 LAZYPNWGAUNAQA-QHCPKHFHSA-N 494.512 -0.580 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c(c3)OCCO4)C2)C1 1837459707 WVNFQXUWHUUJMY-XMMPIXPASA-N 497.508 -0.160 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CC13CCCN1CCC3)CCO2 1839119364 PMOREISLNYDGER-QHCPKHFHSA-N 465.595 -0.166 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)Cc1ccccc1)CCO2 1839959531 NCBRHPZZZFOHJA-HYBUGGRVSA-N 483.525 -0.641 50 20 JBGD C[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4n(n3)CCNC4=O)C2)C1 1840031752 BHAWOIJQVOILAJ-XIKOKIGWSA-N 470.324 -0.520 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(CN(C(=O)/C=C/c3cnc[nH]3)CCO2)C1 1840343342 RLRLFFSNQLYCIB-BTFLMBNSSA-N 455.475 -0.808 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC2(CCCN2C(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)C1 1845108798 SJSUJBSXKDLCOV-HZPDHXFCSA-N 467.567 -0.209 50 20 JBGD C[C@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1ccc(OCCCC(=O)O)c(Cl)c1 728509542 HQRSBHWPOALQMZ-VIFPVBQESA-N 457.914 -0.169 50 20 JBGD COCCn1cnc2c1c(=O)n(CC(=O)NNC(=O)NC1CCOCC1)c(=O)n2Cc1ccccc1 918233249 LKWBWOQPEWPRLK-UHFFFAOYSA-N 499.528 -0.436 50 20 JBGD CN(CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H]1CCC(=O)NC1)CCO2)NC(=O)NCc1ccccc1 1780970370 WUIGFACVSKTHHZ-YADARESESA-N 486.573 -0.311 50 20 JBGD COc1ccc([C@@H](O)C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)cc1 1783768229 CPLYNWGLBHYPTC-AGOPTVSRSA-N 468.315 -0.298 50 20 JBGD Cn1cccc1C(=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1 1788610912 DPQNWYQZHGMPPB-OWQGQXMQSA-N 454.487 -0.500 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)N3CCN(C)CC3)[C@H]2C1 1789799107 JEWXRFKEYACTAR-HVVFYZQTSA-N 487.605 -0.264 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(-n3cccn3)nc1)C2)c1ccc(B(O)O)cc1 1795734218 JHKBWTRZTSBMMD-RMFSNUHRSA-N 461.287 -0.536 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1Cc2ccccc2N1 1800316423 FIRLRIILICGJLU-VZJWBNGJSA-N 450.499 -0.075 50 20 JBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1)C2 1801010678 PSVJZUJSYBMZAS-CLWJZODNSA-N 497.593 -0.415 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)c2cc3n(n2)CCNC3=O)[C@@H]1c1cccnc1 1806084289 OBCHXYSYVRDPQV-KKSFZXQISA-N 482.545 -0.286 50 20 JBGD Nc1n[nH]c(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)n1 1828804052 DRJPZONURTXBFD-GOSISDBHSA-N 454.340 -0.067 50 20 JBGD COC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](O)CCl)CCO2)C1 1830728858 YSDIZTLUSKGMGM-MDOVXXIYSA-N 479.958 -0.418 50 20 JBGD C[C@H](C(=O)NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1)N1C[C@H]2C[C@H]2C1 1835669732 LYWCVQBETHITAB-RLLQIKCJSA-N 468.407 -0.108 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)C3CCC(CO)CC3)C2)C1 1835927253 NBKNYLBTWXTZRK-QPFKGPCDSA-N 460.336 -0.765 50 20 JBGD Cc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)ncc1[N+](=O)[O-] 1835937124 PSEVPGWKTHMENL-QFIPXVFZSA-N 484.274 -0.638 50 20 JBGD Cc1ncc(/C=C/C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)s1 1835940157 XCRATQCVTPLEOA-IOUFHMPJSA-N 471.344 -0.085 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)c1cc(-c3ccncc3)[nH]n1)CCO2 1838011217 NHDSUICNHIQLCS-DEOSSOPVSA-N 491.313 -0.465 50 20 JBGD COc1cccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)c1C 1840069958 OVWQHOXRYGVZCY-RUZDIDTESA-N 482.342 -0.004 50 20 JBGD C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1)n1ccccc1=O 1840185653 RUMRAOHEKNKESW-VGOFRKELSA-N 463.535 -0.761 50 20 JBGD COC(=O)CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1840236726 YFLWQDMDGMIGGQ-QHCPKHFHSA-N 491.545 -0.121 50 20 JBGD Cc1nccn1[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1840493030 PKZCHLBCIJMQTQ-IERDGZPVSA-N 450.540 -0.418 50 20 JBGD CCC[C@@H](NC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1840855768 TYEHSCUYBKYKFZ-DYESRHJHSA-N 455.556 -0.879 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)N1CCCC12CN(C(=O)c1ccc(B(O)O)cc1)C2 1841429816 BGNGRDWPAPXIGY-KRWDZBQOSA-N 461.324 -0.541 50 20 JBGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)c1 23075834 ZLSMOTAIDGCKMH-UHFFFAOYSA-N 488.526 -0.263 50 20 JBGD COc1cc(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)cc(OC)c1OCC(N)=O 24351862 NJPJKERCCXGMOE-UHFFFAOYSA-N 465.488 -0.064 50 20 JBGD O=C(CNC(=O)c1ccco1)NNC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 725872619 PNFQUHCTKFVDEO-UHFFFAOYSA-N 465.488 -0.439 50 20 JBGD CS(=O)(=O)CC[C@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)NNC(=O)N1CCOCC1 745995988 GUHQWGDCMVBATE-KAMPRCONSA-N 474.561 -0.547 50 20 JBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NC2CCN(S(C)(=O)=O)CC2)cc1 916238101 WKCUWHDQDOABHB-UHFFFAOYSA-N 461.566 -0.630 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCc1nc(N)n[nH]1)C2 1782214066 AIDRGYKMWCSYEN-JLTOFOAXSA-N 450.544 -0.794 50 20 JBGD COc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)c(O)c1OC 1786984949 CBNUOMHCQCWVEU-QSFXBCCZSA-N 484.314 -0.004 50 20 JBGD Cc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(=O)NN(C)C)C3)n(-c2cccc(=O)n2C)n1 1795933694 KBRPMHRVHQSNLU-GPVSGQMNSA-N 499.572 -0.544 50 20 JBGD N#Cc1ccc2[nH]nc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)c3ccc(B(O)O)cc3)C4)c2c1 1799883208 BCIQEIFHUHLTOL-CWPLJXCYSA-N 459.271 -0.369 50 20 JBGD CC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CSCN1C(=O)[C@@H]1CCC(=O)N1 1800336915 JKCUTHBBMWVLKJ-DLPJJRSVSA-N 472.995 -0.227 50 20 JBGD CCOC(=O)N[C@H](O)C(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1810097732 MFAFTUGUJKSXPW-ILZDJORESA-N 470.291 -0.855 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1CCN(C(=O)CN2CCOCC2)[C@@H]1c1cccnc1 1810297733 DAOADYJUSJJCHI-LAUBAEHRSA-N 467.530 -0.268 50 20 JBGD O=C(Cc1ccc(F)c(F)c1)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1835138632 WVXAHXSFQPKTEZ-HSZRJFAPSA-N 474.269 -0.043 50 20 JBGD O=C(COCc1ccccc1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835929368 MOGRLYVOENHKSO-XMMPIXPASA-N 468.315 -0.347 50 20 JBGD CCc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)nn1C 1835931198 IFAHDFARJCCKMN-JOCHJYFZSA-N 456.308 -0.954 50 20 JBGD O=C(c1ccc(CO)c(F)c1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835934248 QIFRTFBUORXLQH-QHCPKHFHSA-N 472.278 -0.618 50 20 JBGD COc1nccc(C(=O)N2CCOC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)c1F 1835935389 DJERIEKVHDBSMR-QFIPXVFZSA-N 473.266 -0.707 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)c3cc4ccoc4cn3)C2)C1 1835939265 JJWMCWUYINKZOK-QHCPKHFHSA-N 465.271 -0.109 50 20 JBGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](CO)NC(=O)OC(C)(C)C)CCO2)C1 1836473564 JHBBMEOEBJORMF-QEEYODRMSA-N 479.958 -0.418 50 20 JBGD COc1cccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)n1 1837456934 QCZLXKSLZCRCSC-HSZRJFAPSA-N 484.513 -0.599 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)n1ccccc1=O)CCO2 1837687069 RBYWTIGGWGJNMD-RSXZNIESSA-N 498.540 0.000 50 20 JBGD O=C(c1ccc(-n2c(O)nnc2O)cc1)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1838604388 NTPIBDBNAHRPMM-FOIQADDNSA-N 481.893 -0.652 50 20 JBGD COc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)cc1OC 1838931157 LLCFLRIUWJOVDU-DEOSSOPVSA-N 484.314 -0.233 50 20 JBGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc4ncnn4c3)CCO2)C1 1839049835 YQJHSRNQNIYIHL-OXQOHEQNSA-N 451.911 -0.018 50 20 JBGD CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)C1 1839108104 BIWVXXZEMGVJKP-FAPUVCABSA-N 491.969 -0.730 50 20 JBGD CC(C)NC(=O)C(=O)NNC(=O)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1 744440122 URCXOEMJUZYANH-UHFFFAOYSA-N 477.337 -0.244 50 20 JBGD CCS(=O)(=O)CC(=O)NNC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1S(C)(=O)=O 919744472 OGDZBDNMLOPAOQ-CQSZACIVSA-N 477.561 -0.465 50 20 JBGD Cn1cc(CNC(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cn1 919792754 CHFRQXXUORZBBN-UHFFFAOYSA-N 450.521 -0.096 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](O)NC(=O)OC(C)(C)C)C2 1782213560 WSLFABSJRMUBAM-YBOAYWMSSA-N 485.582 -0.284 50 20 JBGD CN(CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCCC1=O)NC(=O)NCc1ccccc1 1795450767 GYUOUVRLMLLFTK-BBIADKPPSA-N 486.573 -0.455 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(-n2cncn2)c1 1799775499 YMDYLNANYORPKH-CWPLJXCYSA-N 476.497 -0.217 50 20 JBGD O=C(NC[C@@H]1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807362386 KKGKEMVXBKSWOP-LAUBAEHRSA-N 478.274 -0.114 50 20 JBGD CC[C@H](NC(N)=O)C(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1808228108 CXOCLPJYSCJWEO-NEWSRXKRSA-N 453.308 -0.472 50 20 JBGD O=C(CCN1CCOC1=O)N[C@@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815357114 YXMYTCWJRCFDQE-CQSZACIVSA-N 458.305 -0.109 50 20 JBGD CN(CC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cnccc2C(=O)NN)n[nH]1)C(=O)C(=O)O 1819403850 JBRBHQKWSRBULG-AWEZNQCLSA-N 472.462 -0.743 50 20 JBGD C[C@H](NC(=O)c1cnccn1)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cccc(B(O)O)c1)CC2 1820020286 PKJOGONRSAGVMM-WFASDCNBSA-N 494.342 -0.343 50 20 JBGD CCS(=O)(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1831330266 QKTQRHJGGGEHJH-LALPHHSUSA-N 474.349 -0.539 50 20 JBGD O=C([C@H](O)CCl)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCc3nc(O)nc(O)c3C1)CCO2 1833024229 GKWVTDJKALZDDQ-VHPWJVAPSA-N 470.910 -0.951 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H]3CCC(=O)N3)CCO2)C1 1835303852 DXIFFRGYCGSZLO-LRAJWGHMSA-N 488.969 -0.147 50 20 JBGD CC(C)(C)c1cc(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)[nH]n1 1835931729 ZCZSHYCAFVOYFN-QHCPKHFHSA-N 470.335 -0.229 50 20 JBGD Cn1cc(C(=O)N2CCOC[C@]3(CN(C(=O)c4cnccc4C(=O)NN)CCO3)C2)c(C(F)F)n1 1837457961 YOJSYYZREQPWIR-OAQYLSRUSA-N 493.471 -0.260 50 20 JBGD C[C@H](CS(C)(=O)=O)C(=O)N1CCOC[C@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1 1837709922 AZYJJUYBQKHQNB-QAPCUYQASA-N 450.630 -0.025 50 20 JBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)NC(=O)OC(C)(C)C)C2)C1 1840154935 KUJUBSYAKOMBJN-CKFHNAJUSA-N 465.931 -0.460 50 20 JBGD C[C@@H](Oc1cccnc1)C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840185988 VJYRQSKFRMRCQO-VGSWGCGISA-N 463.535 -0.322 50 20 JBGD COc1ccc(NC(=S)NNC(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)cn1 729692496 JIUZHIIAGLCLKM-UHFFFAOYSA-N 464.529 -0.158 50 20 JBGD O=C(CN1C(=O)[C@H]2CCCC[C@H]2C1=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 912638626 YWUAFROBHHHHCA-CALCHBBNSA-N 478.527 -0.356 50 20 JBGD O=C(CNS(=O)(=O)c1ccc2c(c1)OCCCO2)NNC(=O)c1ccc(-n2cnnn2)cc1 913156030 PYPUMLXOPSPQKL-UHFFFAOYSA-N 473.471 -0.437 50 20 JBGD CN(CC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)S(=O)(=O)c1cccnc1 915109511 IBKRXWFPGHAHTM-UHFFFAOYSA-N 481.556 -0.052 50 20 JBGD CCN(CCCNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)S(C)(=O)=O 918119306 RYEVXZJIPNPCRS-UHFFFAOYSA-N 491.592 -0.677 50 20 JBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2)c1cnn2ccncc12 1778683639 OHHXLKCVNPIYIN-NFBKMPQASA-N 463.303 -0.150 50 20 JBGD C=CC(=O)N[C@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cnccc1C(=O)NN)C2 1779533800 HDOYNIYBTTZMJP-UZSYQUHHSA-N 458.519 -0.497 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)c3ccnc4c3OCO4)C2)C1 1780030635 WFJDQINNDWLMEB-NRFANRHFSA-N 454.443 -0.434 50 20 JBGD CCNC(=S)NCC(=O)N1CC[C@@]2(C1)CN(C(=O)/C(C)=N/NC(=O)c1ccc[nH]1)CCO2 1782644525 WGBSBZVHDHHREY-LSCMLXDISA-N 463.564 -0.566 50 20 JBGD COC[C@@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)C3CCN(S(C)(=O)=O)CC3)CCO2)C1 1783875008 NHFDITRDAZMZKA-QAPCUYQASA-N 451.973 -0.258 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4cccnc4nc3O)C[C@@H]21)c1cccc(B(O)O)c1 1786985115 MYCKNHVZTZHLGU-VDGAXYAQSA-N 476.298 -0.078 50 20 JBGD O=C(Nc1ccc(C2(NC(=O)[C@@H](O)N3CCOCC3)CCC2)cc1)c1ccc(B(O)O)cc1 1788142142 FHWIQHPIYMRUTO-JOCHJYFZSA-N 453.304 -0.235 50 20 JBGD C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1)N1CSCSC1 1795734175 HJBHFLBZEBEBMT-NYCLONFESA-N 465.406 -0.387 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1cc(Cl)cc2nn[nH]c12 1798616613 JBDNDBNIBZNUDH-IVWMJMPLSA-N 469.694 -0.192 50 20 JBGD COC(=O)c1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)cc1 1801141747 DRFWKNHMRVZIKH-HATOLVCRSA-N 466.299 -0.401 50 20 JBGD CCC(=O)N[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807360380 RXKMNWGSGOCDAN-YWMUFLPLSA-N 452.320 -0.004 50 20 JBGD CN1CCN(CC(=O)NC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)[C@@H]2c2cccnc2)CC1 1809604435 HAKUSCYIFYEUIN-WMZHIEFXSA-N 459.595 -0.292 50 20 JBGD COC(=O)NCC(=O)N1CC[C@H](CNC(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1810305914 QGDREKAOXBXBQT-KDOFPFPSSA-N 455.475 -0.244 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCC2(CCCN(C(=O)c3cc(=O)n4[nH]nnc4n3)C2)CC1 1810487685 GDPDYPPVBCTUBL-AFUMVMLFSA-N 494.516 -0.209 50 20 JBGD C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1830304476 UOEFAAZRTJXCEI-AOMKIAJQSA-N 485.582 -0.271 50 20 JBGD C[C@H](CS(C)(=O)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1831465365 ZLQAXQXFFCXSDM-TYNCELHUSA-N 459.334 -0.186 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@](C)(O)C(F)(F)F)CCO2 1832166034 JWMXFQNBGFSAOZ-SJORKVTESA-N 454.446 -0.871 50 20 JBGD CN(CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnn(C)c1)CCO2)NC(=O)NCc1ccccc1 1834173819 ZVWCSAUTWUPWJS-XMMPIXPASA-N 499.572 -0.164 50 20 JBGD CC(C)(CCl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(=O)n4[nH]cnc4n3)CCO2)C1 1835918722 MYNZFUOILGDHLL-IBGZPJMESA-N 452.899 -0.247 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)c3cc4cccnc4[nH]3)C2)C1 1835930382 IEETZWXIFZCNPM-HSZRJFAPSA-N 464.287 -0.374 50 20 JBGD O=C(c1cnnc(Cl)c1)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835935029 CIDCUXLGJOAHMY-FQEVSTJZSA-N 460.683 -0.806 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3nc(C)no3)CCO2)C1 1836069653 DHMUMLDVQGMCOO-GQBLCDNYSA-N 473.490 -0.489 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3c[nH]c4nccc-4c3)C2)C1 1837457907 VNMUKQZWCJDXFR-QHCPKHFHSA-N 479.497 -0.103 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4cccnn4n3)C2)C1 1837460000 QKNIFVMFOGYXPI-JOCHJYFZSA-N 480.485 -0.888 50 20 JBGD C=CC(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C2)C1 1837697298 LWNSYZPRIWVFNN-YREFKLKQSA-N 474.518 -0.733 50 20 JBGD O=C(CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1)Nc1ccc(F)cc1 1839029326 DVMXZGREKXBWLX-DEOSSOPVSA-N 499.304 -0.396 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccccc3-n3nccn3)C2)C1 1840185359 OKAWFVZBYDLPFI-HSZRJFAPSA-N 485.545 -0.290 50 20 JBGD Cc1c(C(=O)N2CC3(CCCN3C(=O)c3cnccc3C(=O)NN)C2)cn2[nH]cnc(=O)c12 1844264597 MIJHNUUBEWCVIJ-UHFFFAOYSA-N 450.459 -0.540 50 20 JBGD NC(=O)CC[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)N1CC[C@H](B(O)O)C1 864230997 IIDQMEIONVIVDS-WCQYABFASA-N 451.232 -0.307 50 20 JBGD CC(C)n1nc(C(=O)NNC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)c2ccccc2c1=O 914829750 QMSQGXRQSDSMSI-ZIAGYGMSSA-N 475.527 -0.226 50 20 JBGD Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NNC(=O)N[C@H]3CCS(=O)(=O)C3)C2)s1 919889652 QVMVSLFWGRNPIQ-STQMWFEESA-N 464.591 -0.025 50 20 JBGD C[C@@H](C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1)N1C(=O)c2ccc(Br)cc2C1=O 919890017 YLCRPNLGJHBJKH-WCBMZHEXSA-N 473.305 -0.049 50 20 JBGD C[C@H](NC(=O)c1ccccc1)C(=O)N1CC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1785558223 WZBSGMWXCCWWPF-BXKMTCNYSA-N 465.315 -0.372 50 20 JBGD O=C(Nc1ccc(C2(NC(=O)[C@H](O)N3CCOCC3)CCC2)cc1)c1ccc(B(O)O)cc1 1788142143 FHWIQHPIYMRUTO-QFIPXVFZSA-N 453.304 -0.235 50 20 JBGD C[C@@H](O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](Cc1ccc(B(O)O)cc1)NC(=O)OC(C)(C)C 1796907237 AJKFZAHFKCQYPH-QSWMPLQWSA-N 489.378 -0.179 50 20 JBGD CN1N=C(C(=O)NC[C@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)CCC1=O 1804120229 RPVGQMMCLOCBQZ-DYESRHJHSA-N 463.303 -0.311 50 20 JBGD CNC(=S)NCCC(=O)N1CC[C@H](CNC(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1813072232 CJXYZOPNPHOFLT-UZLBHIALSA-N 463.608 -0.056 50 20 JBGD COC(=O)NCC(=O)NC[C@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1813266436 FDWXTGGZIZKWCP-RDTXWAMCSA-N 455.475 -0.244 50 20 JBGD O=C(CCN1C(=O)C=CC1=O)N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815350305 PDOLOJNCCNRPIZ-AWEZNQCLSA-N 468.300 -0.636 50 20 JBGD COC[C@H](NC(C)=O)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)CBr)CCO2)C1 1830539292 GCPUDIJSBRSNEE-XUWXXGDYSA-N 464.357 -0.375 50 20 JBGD CC(C)n1nc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)cc1C(=O)O 1833604790 IXBLZWKIAULUGQ-HNAYVOBHSA-N 458.899 -0.168 50 20 JBGD CN(C)c1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)nc1 1833646846 WTZMUMSTTWBDPP-QHCPKHFHSA-N 468.319 -0.789 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCC(N2CCC(NC(=O)c3cc(O)n[nH]3)CC2)CC1 1834770823 VVFZDJBDAYFBQN-UHFFFAOYSA-N 456.507 -0.387 50 20 JBGD O=C(CCBr)N1CCO[C@]2(COCCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1 1834824815 MXOUHRKHNJQKTK-GOSISDBHSA-N 487.307 -0.002 50 20 JBGD CNC(=S)NCCC(=O)NC1CCN(C2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1 1835743009 FVBUHNIUPWKZLG-UHFFFAOYSA-N 469.656 -0.585 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)c3nnsc3C3CC3)C2)C1 1835928430 PUGKXGMAHXDIHC-OAQYLSRUSA-N 472.332 -0.521 50 20 JBGD Cc1cccc(/C=C/C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)n1 1835934232 QNNKMOSRGULTRV-KDLSMAQYSA-N 465.315 -0.147 50 20 JBGD CCOC(=O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835934545 XQRSHDKUJIGDHH-QFIPXVFZSA-N 462.308 -0.974 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)c3cc(-n4ccnc4)ccn3)C2)C1 1835937943 BNOXELAUMRJACQ-XMMPIXPASA-N 491.313 -0.669 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)CN3C(=O)CNC3=O)CC2)CC1)[C@H](F)Br 1836414222 ZHPSOYXNJCGLJN-HNNXBMFYSA-N 462.320 -0.200 50 20 JBGD CCc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)n[nH]1 1837457526 IFJNBIJOCWFVHM-NRFANRHFSA-N 457.491 -0.646 50 20 JBGD CC[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3nccnc3C(N)=O)CCO2)C1 1838330377 DCLDIWKCSXLUGY-KPZWWZAWSA-N 470.324 -0.181 50 20 JBGD C[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1)c1ccc(O)cc1 1839169969 WVAUTLAHRJULEP-OSPHWJPCSA-N 468.315 -0.054 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(-n3cncn3)c1)CCO2 1839437078 DTAHVCRGDQDXQC-HSZRJFAPSA-N 485.545 -0.290 50 20 JBGD COCCOCCOCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](Cl)COC)CCO2 1840156451 SJTNJXWRUSPOSW-FXAWDEMLSA-N 466.959 -0.234 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)CCN3CCCCC3)C2)C1 1840184003 NCQUIVYUNYKCQH-QFIPXVFZSA-N 453.584 -0.308 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ncn(-c4ccccc4)n3)C2)C1 1840184006 NMSYAPLJRHQGBF-HSZRJFAPSA-N 485.545 -0.290 50 20 JBGD Cn1nccc1S(=O)(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 727353382 RMQPDQYCJDXSBA-UHFFFAOYSA-N 457.534 -0.617 50 20 JBGD COc1cc2c(cc1OC)[C@@H](CC(=O)NNC(=O)CNC(=O)C1CC1)N(S(C)(=O)=O)CC2 914857726 VDYNHICTDOKDNC-OAHLLOKOSA-N 468.532 -0.374 50 20 JBGD COCCNS(=O)(=O)c1ccc(Br)c(C(=O)NNC(=O)CN2CCCC2=O)c1 920435632 LWGBRELESCKFQJ-UHFFFAOYSA-N 477.337 -0.243 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)c3cc4cn[nH]c4cn3)CCO2)C1 1779031465 AKHVBCGKHYCTJE-NRFANRHFSA-N 450.459 -0.286 50 20 JBGD COC[C@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)C3CCN(S(C)(=O)=O)CC3)CCO2)C1 1783875010 NHFDITRDAZMZKA-YJBOKZPZSA-N 451.973 -0.258 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1C[C@H](O)CN1C(=O)OC(C)(C)C)CCO2 1783933707 DUPRYUAYEDQXQN-QQMNAOGKSA-N 497.593 -0.440 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc4ccc(F)cn4n3)C[C@@H]21)c1ccc(B(O)O)cc1 1786983778 RWLKDPAMZQGREM-WBAXXEDZSA-N 467.266 -0.545 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@](C)(O)CC(=O)O)C[C@@H]21 1787508116 GXPMCOHRSYONPG-ZBTPNINWSA-N 477.518 -0.284 50 20 JBGD CCOC(=O)N[C@@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](CCl)NC(=O)OC(C)(C)C 1793879747 CSTSDIRWRUIASG-RGHULWKBSA-N 492.957 -0.227 50 20 JBGD COCCOCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN(C)NC(=O)NCc1ccccc1)C2 1795355194 OEWSDCURGUIRIC-HATOLVCRSA-N 477.562 -0.415 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2c(c1)OCO2 1796786241 BGMLJVZQVLRBST-HBCWATKFSA-N 453.455 -0.069 50 20 JBGD CCOC(=O)N[C@@H](O)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cnccc2C(=O)NN)CC1 1828924084 IOMBVOBBRUULBT-MJGOQNOKSA-N 476.534 -0.017 50 20 JBGD CCc1[nH]nc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)c1F 1833738209 YZDDLQAZCGCZTA-NRFANRHFSA-N 475.481 -0.507 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CN(C)C(=O)OC(C)(C)C)CCO2 1835212787 OXLHHRYAFHYPDI-QFIPXVFZSA-N 485.582 -0.317 50 20 JBGD C[Si](C)(C)c1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)co1 1837422367 RBSJLHPWZNMQEM-HSZRJFAPSA-N 486.406 -0.112 50 20 JBGD Cc1nnc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)s1 1837457914 VXFQQHALAKSYIK-FQEVSTJZSA-N 475.531 -0.842 50 20 JBGD CCOc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)nn1 1837459412 FKEYNSPCGVKTRT-QFIPXVFZSA-N 485.501 -0.742 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(F)n3)CCO2)C1 1837906441 QRHNYFSYCHVOJL-NRFANRHFSA-N 458.450 -0.397 50 20 JBGD C[C@H](CN)C(=O)N1CCOC[C@]2(CN(C(=O)CN(C)NC(=O)NCc3ccccc3)CCO2)C1 1839054347 VFBWFNXFZKYWJP-JPYJTQIMSA-N 476.578 -0.616 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4cccnn4n3)C2)C1 1840185642 RJIZEWMHOKMJTR-OAQYLSRUSA-N 459.507 -0.828 50 20 JBGD COCCCNC(=O)[C@H](C)N1CCN(C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)CC1 728961808 QJEMGNUVVXCCGH-KRWDZBQOSA-N 476.582 -0.407 50 20 JBGD Cc1nc(S(=O)(=O)NCC(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cn1C 750665276 VQGPMWUBLFHRRG-UHFFFAOYSA-N 484.560 -0.747 50 20 JBGD O=C(NCCC(=O)N1CCOCC1)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 916252743 MSNIKBQHIURNOF-UHFFFAOYSA-N 453.521 -0.336 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@]2(CN(C(=O)CC[C@@H](N)C(N)=O)CCO2)C1 1780096852 IVULLBROSBEEPV-IERDGZPVSA-N 477.474 -0.444 50 20 JBGD O=C(COc1ccc(O)nn1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2 1781491861 QWLTZYNXORGFLK-VGOFRKELSA-N 470.291 -0.932 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCN1CCOCC1)C2 1782210894 XBQJTAGJDGYNIT-XMSQKQJNSA-N 453.584 -0.404 50 20 JBGD C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1783708195 QKTIBVLDZIKAAT-IVZQSRNASA-N 461.324 -0.277 50 20 JBGD COCCn1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]32)n1 1787637640 JNOPFUZJIYFSST-BQFCYCMXSA-N 450.540 -0.504 50 20 JBGD CCc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cnccc4C(=O)NN)C[C@@H]32)n(C)n1 1788942317 UYUSTOOUDBNJDA-IXDGSTSKSA-N 455.519 -0.112 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C[C@@](C)(O)CC(=O)O)[C@H]2C1 1791284271 GDWRPLVDQJCFBG-IHRCTHJSSA-N 477.518 -0.284 50 20 JBGD CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)CCl 1792982747 MRSIRKMQQHBFJG-ZTYXSZCMSA-N 461.943 -0.454 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)[C@@H]1CC(=O)N(C2CCCC2)C1 1793777387 RQTVZYGDZAHAEE-QSNWEANLSA-N 469.347 -0.639 50 20 JBGD C[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C 1801008781 ARNPFRCFASPMPU-AFIMGQEJSA-N 455.556 -0.138 50 20 JBGD O=C(NC[C@H]1CCN(C(=O)c2nc3ncccn3n2)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807361794 JKQZHYCKPPRXJH-IEBWSBKVSA-N 471.286 -0.168 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)CCS(C)(=O)=O)[C@H]1c1cccnc1 1813577443 UFIDVQUUGOFCSZ-OXJNMPFZSA-N 453.565 -0.105 50 20 JBGD Cn1c(=O)c2c(ncn2CC(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@@H](O)CCl)CC2)n(C)c1=O 1824179370 RCELQKDVMDFMOB-HOTGVXAUSA-N 494.980 -0.347 50 20 JBGD CS(=O)(=O)c1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)cc1F 1830738399 OUPOHWWWXKNQJO-KXBFYZLASA-N 478.926 -0.101 50 20 JBGD CCC(=O)N[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C2)C1 1831181534 MLPPFNRDCGWCQD-MNEFJFGXSA-N 476.534 -0.509 50 20 JBGD C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C2)C1 1831392670 GFGRZSLWLJXSMM-ITSXBRTRSA-N 459.503 -0.385 50 20 JBGD CNc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)cc1 1835935782 QXDROXLKWZQWDF-QHCPKHFHSA-N 453.304 -0.208 50 20 JBGD O=C(Cc1ccc(F)c(F)c1)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835935991 ZDDZRKBIBOVTBA-QHCPKHFHSA-N 474.269 -0.043 50 20 JBGD Cc1noc(C)c1CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnccc1C(=O)NN)CCO2 1837456859 OKDYZKCSFHFMTC-HSZRJFAPSA-N 486.529 -0.007 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3noc4c3CCCC4)C2)C1 1837457992 ZWVIOWYSLPBADK-HSZRJFAPSA-N 484.513 -0.064 50 20 JBGD O=C(CS[C@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1837506461 OXNYPRLXOWYTMJ-RBBKRZOGSA-N 478.376 -0.304 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(O)c(F)c1)CCO2 1839304334 VYGDFCHKLNJFGC-JOCHJYFZSA-N 458.251 -0.405 50 20 JBGD CC[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3ccncc3=O)CCO2)C1 1839665317 YDACPBDIJDBZMX-KBXCAEBGSA-N 457.325 -0.127 50 20 JBGD CN(CC(=O)N1CCOC[C@]2(CN(C(=O)Cc3cc[nH]n3)CCO2)C1)NC(=O)NCc1ccccc1 1839722449 UEZJWSCDVKCLMK-DEOSSOPVSA-N 499.572 -0.245 50 20 JBGD CCOC(=O)N[C@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](Br)CC)CCO2)C1 1839964918 JCAYMKZZLVDRRP-OGHNNQOOSA-N 466.329 -0.319 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3Cc4ccccc4CN3)C2)C1 1840183828 CEUWBWGOCCDHRN-GBXCKJPGSA-N 473.574 -0.470 50 20 JBGD Cc1cc(NC(=O)CC(=O)N2CCOC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)no1 1840183860 FDJJDMRXQNBBPW-NRFANRHFSA-N 480.522 -0.859 50 20 JBGD COC(=O)[C@@H]1CCC[C@H](C(=O)N2CCOC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)C1 1840184691 BESRJFCDDOTHHA-IXFSTUDKSA-N 482.578 -0.205 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn4cccc(F)c34)C2)C1 1840184870 DOKJJQWUFBOJSZ-QFIPXVFZSA-N 476.509 -0.084 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](Cc1ccc(B(O)O)cc1)C(=O)N1CC2(CCCN2C(=O)CC#N)C1 1842622138 FOCXEHXOIFDETQ-SFHVURJKSA-N 470.335 -0.081 50 20 JBGD CN(CC(=O)N1CCCC12CN(C(=O)C[C@@H]1NC(=O)NC1=O)C2)NC(=O)NCc1ccccc1 1845038497 JGIBVZGIENHZHE-INIZCTEOSA-N 471.518 -0.866 50 20 JBGD CS(=O)(=O)CC[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NNC(=O)C(=O)N1CCCC1 748246471 APAZWOUEBQXTQD-AWEZNQCLSA-N 458.924 -0.357 50 20 JBGD CCn1cnc2c1c(=O)n(CC(=O)NNC(=O)CCc1nc(C)no1)c(=O)n2Cc1ccccc1 920444800 LHRIIOPRLVAOIB-UHFFFAOYSA-N 480.485 -0.100 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](O)Cc1ccccc1)CCO2 1779033812 FDCGYNRHUBTWHI-WMZHIEFXSA-N 453.499 -0.268 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)c3cccc4c3NC(=O)C4)C2)C1 1782413896 QTIAPXXGAKHTMB-QHCPKHFHSA-N 464.482 -0.063 50 20 JBGD CN(CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CSC(=N)N)[C@H]2C1)NC(=O)NCc1ccccc1 1786778716 GUBHNRYYFPODPD-BZSNNMDCSA-N 491.618 -0.061 50 20 JBGD Cc1cc(C)n2ncc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)c5ccc(B(O)O)cc5)[C@H]4C3)c2n1 1786979897 YDSWOXWMZSWMDM-YYWHXJBOSA-N 477.330 -0.067 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C[C@@H]21 1787506531 DDGJAXMFJOKJOG-NGTHKXITSA-N 486.489 -0.095 50 20 JBGD COCCOCCOCCOCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21 1791142806 LZSXPHDMEOOFMW-XSLAGTTESA-N 466.959 -0.738 50 20 JBGD COc1cncc(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)c1 1794052937 FUMYNAFPSOHAEP-OPMZPASUSA-N 453.304 -0.394 50 20 JBGD O=C1Nc2ccccc2/C1=C/C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795734664 VTKNNWGEEDLBOJ-GDWXXPKMSA-N 461.283 -0.395 50 20 JBGD CS(=O)(=O)c1cncc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(B(O)O)cc2)c1 1796188242 FRUHKFPSQKZSAD-BCDXTJNWSA-N 457.317 -0.270 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1796442213 VYTAIXHCGXZKJW-DWWIETNTSA-N 482.501 -0.978 50 20 JBGD CN1CCCn2nc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)c3cnccc3C(=O)NN)C4)cc2C1 1800128270 QLYHCLVZLVEXCU-YVWYUNDQSA-N 482.545 -0.766 50 20 JBGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2cc3n(n2)CCNC3=O)[nH]n1)c1ccc(B(O)O)cc1 1817470948 AJPMNEPPGGHODO-KRWDZBQOSA-N 477.290 -0.351 50 20 JBGD CC[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)CN(C)NC(=O)NCc3ccccc3)C2)C1 1830524601 GKLRJFTYUHBHBO-CVDCTZTESA-N 477.562 -0.440 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCc3ccoc3C1)CCO2 1830931742 UMHLSIKNBUVGBY-NTKDMRAZSA-N 468.315 -0.166 50 20 JBGD CC[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CC(=O)NC3=O)CCO2)C1 1832482252 KWKRWAYKBCYLRC-PXAZEXFGSA-N 461.313 -0.832 50 20 JBGD Cc1cc(C(=O)NCC(=O)N2CCC(N3CCC(NC(=O)[C@@H](O)CCl)CC3)CC2)no1 1833311726 BPPUROXBHURURQ-KRWDZBQOSA-N 455.943 -0.116 50 20 JBGD O=C1CN(CC(=O)NC2CCN(C3CCN(C(=O)CCBr)CC3)CC2)C(=O)N1 1833710294 APLIZWWUNPVYMX-UHFFFAOYSA-N 458.357 -0.105 50 20 JBGD COC(=O)CSCC(=O)N1CCC(N2CCC(NC(=O)c3cccc(B(O)O)c3)CC2)CC1 1834799830 FWSWAYKKQHNHKD-UHFFFAOYSA-N 477.392 -0.542 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(CN(C(=O)CCSC(=N)N)CCO2)C1 1835647983 LOQGSHYYTSPYID-PGLVWIQMSA-N 479.563 -0.406 50 20 JBGD Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)ncc1[N+](=O)[O-] 1836552630 SQPMWTQMHCILAV-JOCHJYFZSA-N 499.484 -0.319 50 20 JBGD CC(=O)O[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1)C(C)C 1837217226 MJNCKRVRKKHNGM-DENIHFKCSA-N 462.308 -0.976 50 20 JBGD Cc1nc(C(=O)N2CCC(OC3CCN(C(=O)c4ccc(B(O)O)cc4)CC3)CC2)c(=O)[nH]c1C 1837265242 GKXPXUWKMAPQIU-UHFFFAOYSA-N 482.346 -0.007 50 20 JBGD CC(=O)Nc1cccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)n1 1837456977 RPADDNZNCGCORY-HSZRJFAPSA-N 497.512 -0.578 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc4ncccn34)C2)C1 1837459022 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O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1ccc(-n2cnnc2)cc1 1795493225 RXCSJCGGYANKTG-RMFSNUHRSA-N 461.287 -0.536 50 20 JBGD CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795740522 DVMFCRBBYSDXKT-PIKOESSRSA-N 487.362 -0.031 50 20 JBGD C[Si](C)(C)OCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]c2c1CS(=O)(=O)C2 1795929893 BZIVWFFKBNPJGS-DRXBFXEBSA-N 456.597 -0.107 50 20 JBGD CN(CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C=CCN1)C2)NC(=O)NCc1ccccc1 1799095153 WAUWMJITKYVEPK-JTJHWIPRSA-N 456.547 -0.550 50 20 JBGD CC[C@H](NC(N)=O)C(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807365009 VFZGPXUWMWUCEY-NEWSRXKRSA-N 453.308 -0.472 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](N)CCC(N)=O)[C@H]1c1cccnc1 1808414580 KGELWHTXBQKCJC-VCNDSEKESA-N 482.545 -0.186 50 20 JBGD CNC(=S)NCCC(=O)NC[C@@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1810308871 CSECGIGFHSQNOD-KXBFYZLASA-N 484.586 -0.116 50 20 JBGD NNC(=O)c1ccncc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H](O)N2CCOCC2)[nH]n1 1819403364 GSFOCDAZTRDYBT-JXFKEZNVSA-N 472.506 -0.635 50 20 JBGD O=C([C@@H](O)N1CCOCC1)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827051988 LIESLLUMXBOXOY-NZQKXSOJSA-N 459.352 -0.750 50 20 JBGD C[C@@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCS(C)(=O)=O)C2)C1 1830545522 KEZRZIYEOYLUPS-XJKSGUPXSA-N 455.371 -0.092 50 20 JBGD CN1Cc2ccccc2C[C@@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1832468871 SUDLTNLVSUAXIZ-ZEQKJWHPSA-N 493.369 -0.507 50 20 JBGD Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)cnc1C 1833295880 MSSDHQPVYRQSIR-QHCPKHFHSA-N 453.304 -0.238 50 20 JBGD Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)n(C)n1 1834162083 ZVWMKPFARHGHIV-NRFANRHFSA-N 457.491 -0.889 50 20 JBGD CCCNC(=O)CCC(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834797774 DHMYSBPSPSSGLN-UHFFFAOYSA-N 472.395 -0.142 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(CN(C(=O)C[C@H](N)c3cccnc3)CCO2)C1 1835834333 QFUHZAVTAHILGO-WMZHIEFXSA-N 483.529 -0.760 50 20 JBGD Nc1c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)sc2nccnc12 1835877212 AWUAMBRMIBIQOR-QFIPXVFZSA-N 497.342 -0.663 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)c3cccn(C(F)F)c3=O)C2)C1 1835938521 XEIPKJMTEMTXSK-QFIPXVFZSA-N 491.256 -0.693 50 20 JBGD CCC(=O)N[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1836816793 VUJCQPNLUYEHFV-MRXNPFEDSA-N 459.352 -0.107 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCC(OC2CCN(C(=O)c3nc[nH]c3[N+](=O)[O-])CC2)CC1 1837920317 LUXWCMMHIHUCCD-UHFFFAOYSA-N 471.279 -0.076 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc4snnc4c3)CCO2)C1 1838508529 BUQSNZJANDTZMV-OAQYLSRUSA-N 498.525 -0.531 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=N)N)C2)C1 1838528301 OOLLYGUVKMFIDI-HXUWFJFHSA-N 478.462 -0.927 50 20 JBGD C[C@](Cl)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNCP(=O)(O)O)C2)C1 1839151843 FNJPRLMQWWGEEM-LSDHHAIUSA-N 462.267 -0.596 50 20 JBGD COC(=O)[C@@H]1CC=CC[C@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1840141564 KYABWNLSSVBFPY-REHUZNOOSA-N 486.330 -0.808 50 20 JBGD C[C@]1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)CC1(F)F 1840826975 DSKQYVFMWZKJAR-RTBURBONSA-N 453.446 -0.200 50 20 JBGD CN(CC(=O)N1CC2(CCCN2C(=O)c2nccnc2C(N)=O)C1)NC(=O)NCc1ccccc1 1844596342 KAPDSAKRMHWDKD-UHFFFAOYSA-N 480.529 -0.261 50 20 JBGD Cn1c(=O)c(C(=O)N2CC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)nc2ccccc21 1777888872 YXUDWNLZTQKPHR-XMMPIXPASA-N 476.298 -0.629 50 20 JBGD Cc1cn2c(=O)c(C(=O)N3CC[C@@]4(CN(C(=O)c5ccc(B(O)O)cc5)CCO4)C3)cnc2s1 1777990089 ISYQEBNIVXGDBV-QFIPXVFZSA-N 482.327 -0.498 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3CC(c4ccccc4)=NN3)C2)C1 1782600186 CCTJJDCQVVCGRE-HYBUGGRVSA-N 477.525 -0.105 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@@]2(CCN(C(=O)CN(CCO)CCO)C2)C1 1783258497 VGNKDLOJCUSWLH-JOCHJYFZSA-N 494.501 -0.750 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=O)N(C)C)C[C@@H]21 1787507517 ZARSAWJUEGFYGJ-RPIBGLMYSA-N 461.523 -0.629 50 20 JBGD COc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)ccc1[N+](=O)[O-] 1795736783 GMKBUAUMQKTNQV-CWPLJXCYSA-N 469.259 -0.200 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2c(n1)OCCO2 1796282962 CVDPBNTUOJLFPX-IVWMJMPLSA-N 468.470 -0.632 50 20 JBGD CC(C)(C)OC(=O)N1CC(C)(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)C1 1797275228 BKLYVVHZOCEJBP-IZZQQSIFSA-N 487.362 -0.173 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COC(=O)C(F)(F)F 1797653940 ANUBLZAHUNZMEV-TVAYQMQISA-N 473.408 -0.185 50 20 JBGD CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(B(O)O)c1)C2 1800179414 ZMEQWXHWLUWSBO-FCGDIQPGSA-N 475.351 -0.106 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnccc1N(C)C)CCO2 1833665868 JAHQCJMXNCMFLE-JOCHJYFZSA-N 462.551 -0.409 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC1CCN(C2CCN(C(=O)[C@@H]3C[C@H](O)CN3)CC2)CC1 1835117855 SDPTVVYNDNWHDP-UTEXMJKRSA-N 473.578 -0.585 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC1CCN(C2CCN(C(=O)[C@@H](O)CCl)CC2)CC1 1835734452 JQYPOZRQJYNBOJ-KRWDZBQOSA-N 452.943 -0.530 50 20 JBGD COc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)ccc1O 1835931718 YSHMTHMAJJMNKN-HSZRJFAPSA-N 470.287 -0.536 50 20 JBGD CCN(CC)C[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837459690 MHTLQKWHBARDDR-UZUQRXQVSA-N 476.578 -0.267 50 20 JBGD C[C@@H](Nc1ccccn1)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1837741330 OBOUTZZCIINHCU-UZUQRXQVSA-N 468.319 -0.668 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCC(OC2CCN(C(=O)Cn3cnnn3)CC2)CC1 1837967229 XSIKLGCRPYZTDX-BUVRLJJBSA-N 471.522 -0.194 50 20 JBGD C[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1)N1CCN(C)CC1 1839104885 XCBIXOQGQBSXOI-GHTZIAJQSA-N 456.660 -0.070 50 20 JBGD CC(=O)N1CCN(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@](C)(Cl)CCl)CCO3)CC1 1839152627 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CN(CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCOC1)CCO2)NC(=O)NCc1ccccc1 1840537882 PGZBCKLINJFQLN-HYBUGGRVSA-N 489.573 -0.175 50 20 JBGD CC(=O)Nc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)c1 1840729535 QIQUHCAPOXLZFS-DEOSSOPVSA-N 481.314 -0.291 50 20 JBGD CN(CC(=O)N1CC2(CCCN2C(=O)CC[C@H](N)C(N)=O)C1)NC(=O)NCc1ccccc1 1842946484 LNQCDRYXYACLSJ-KRWDZBQOSA-N 459.551 -0.871 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1CC2(CCCN2C(=O)c2cnccc2C(=O)NN)C1 1844264235 XAKHMJCCZFSORK-HNNXBMFYSA-N 462.507 -0.612 50 20 JBGD COC[C@@H](NC(C)=O)C(=O)N1CC2(CCCN2C(=O)CN(C)NC(=O)NCc2ccccc2)C1 1845039045 XUQWABDSPZOZDR-LJQANCHMSA-N 474.562 -0.313 50 20 JBGD CC(C)(C)OC(=O)N1CC[C@H](C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2cccc(B(O)O)c2)[C@@H](O)C1 1847233670 BSLXYJLMQZDPIE-MUGJNUQGSA-N 487.362 -0.200 50 20 JBGD O=C(NNC(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1)c1csc(N2CCOCC2)n1 914749304 MYLIHZFUZCAAGX-UHFFFAOYSA-N 471.517 -0.332 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H]1ON=C(c3ccccc3)O1)CCO2 1779032513 RDFBCGNJWKROMF-DHIUTWEWSA-N 480.481 -0.137 50 20 JBGD O=C(c1n[nH]c2c1CS(=O)(=O)C2)N1CCO[C@]2(CCN(C(=O)[C@@H](F)Br)C2)C1 1781330627 CXVXAFWGPUDIHY-DOMZBBRYSA-N 465.301 -0.028 50 20 JBGD C[C@@](O)(CC(=O)O)CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2 1782204566 PKVAMEHRFKDTNY-VOQZNFBZSA-N 462.308 -0.890 50 20 JBGD COc1nccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)c1F 1787136176 LEMCYQZLBNDLNC-WBAXXEDZSA-N 457.267 -0.184 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3ccncc3=O)[C@H]2C1 1790581220 VBIXHLPKGARJGM-GZERKGCBSA-N 469.502 -0.643 50 20 JBGD CN(CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ncccn1)NC(=O)NCc1ccccc1 1794190268 IREAMCCHAIOWSY-BBIADKPPSA-N 481.557 -0.045 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc3cc([N+](=O)[O-])ccc3[nH]1)C2)c1cccc(B(O)O)c1 1795741427 WVTYTVHPQXUEHL-HBCWATKFSA-N 479.258 -0.332 50 20 JBGD COC(=O)CSCC(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1803575638 OYLVOPZHZFIWPL-UTKZUKDTSA-N 471.344 -0.013 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H](CNC(=O)CN2C(=O)CNC2=O)[C@H]1c1cccnc1 1804090992 MUZUOTHMQZWEMM-KFTGWRNYSA-N 494.512 -0.227 50 20 JBGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807363549 MGSKFDQMWSJRDK-SIKLNZKXSA-N 473.103 -0.925 50 20 JBGD CC(C)(C)OC(=O)CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1831989420 DMTLJOXEGSZRJZ-QFIPXVFZSA-N 462.308 -0.832 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnn(C)c1C)CCO2 1834423545 GHSGJDYIBIAIAG-IBUSPFOHSA-N 471.518 -0.067 50 20 JBGD O=C1NCCCn2nc(C(=O)N3CCOC[C@]4(CN(C(=O)CCBr)CCO4)C3)cc21 1834821734 VVZPSHAWRSAEON-IBGZPJMESA-N 484.351 -0.128 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)c3cc4cccn4cn3)C2)C1 1835930590 OBQUZJHAMWMQEO-HSZRJFAPSA-N 464.287 -0.602 50 20 JBGD Cc1cc(C(=O)NCC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)Br)C3)C2)no1 1837550126 PAVZLJRPHGCEHC-UGSOOPFHSA-N 473.324 -0.047 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)c1cc(-c3ccccn3)[nH]n1)CCO2 1838050433 JKKPBUDZJSXFLJ-DEOSSOPVSA-N 491.313 -0.465 50 20 JBGD CC[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3ccncc3=O)CCO2)C1 1839665318 YDACPBDIJDBZMX-KDOFPFPSSA-N 457.325 -0.127 50 20 JBGD CCOC(=O)c1ncn2c1CC[C@H](C(=O)N1CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C1)C2 1839739262 WMJGLYFXJYGECT-JIGPKXGUSA-N 498.964 -0.322 50 20 JBGD Cc1nn(C)c(C)c1CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1840436251 UTANZMJGZMTGED-QHCPKHFHSA-N 470.335 -0.971 50 20 JBGD CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NNC(=O)[C@H]2COc3ccccc3O2)c1 26974438 NESRXCZVFCEBJO-QGZVFWFLSA-N 464.500 -0.134 50 20 JBGD Cc1cc(C=NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)c(C)n1CCN1CCOCC1 915958372 ALIKEYBNKCNRDS-UHFFFAOYSA-N 463.564 -0.528 50 20 JBGD CC(=O)N(C)[C@@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cnccc1C(=O)NN)C2 1778105848 SRDKFHKFBLWERI-GKIWIXTESA-N 460.535 -0.321 50 20 JBGD CC(=O)NC(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnccc2C(=O)NN)C1 1779371085 BTEKQZPAISNSAY-VGOFRKELSA-N 460.535 -0.273 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccnnc2O)C1 1779964875 LURREJDMIVJYDH-IIBYNOLFSA-N 455.475 -0.378 50 20 JBGD CC(=O)N/C(=C\c1ccco1)C(=O)N1CC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1781864002 FMFAIJQUIIBJQV-JPFXZVHCSA-N 467.287 -0.420 50 20 JBGD CCOc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cnccc4C(=O)NN)[C@H]3C2)nn1 1788610258 SUNMCKZAUWKQPW-OWQGQXMQSA-N 469.502 -0.219 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC[C@@H](N)C(N)=O 1795631855 RQOIJAYLCPETBK-YMSVYLFOSA-N 475.974 -0.699 50 20 JBGD COc1ccc(OCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)cc1 1795732615 CBMMWHMCBHYFRQ-FAQVEIGNSA-N 454.288 -0.343 50 20 JBGD CN(CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1nccn1)NC(=O)NCc1ccccc1 1799412723 OAYQRAKAJLTTJU-RMFSNUHRSA-N 470.534 -0.786 50 20 JBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(S(C)(=O)=O)c1)C2 1801009073 OIUCBUDDRAEISK-CWPLJXCYSA-N 466.560 -0.334 50 20 JBGD CN[C@H](CC(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)C(=O)O 1807204242 DQEGSAWHHWJRGG-ILZDJORESA-N 454.292 -0.856 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1CCN(C(=O)CN2CC(=O)NC2=O)[C@H]1c1cccnc1 1808410768 XKMNYWBOQACVMA-IRBZMGECSA-N 494.512 -0.227 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@H]1CCN(C(=O)c2cnc(O)nc2O)[C@H]1c1cccnc1 1810301577 ABUDYUDWYVJMDJ-DYVFJYSZSA-N 478.469 -0.085 50 20 JBGD Cc1cn(CC(=O)NC[C@H]2CCN(C(=O)CCC(=O)NN(C)C)[C@H]2c2cccnc2)c(=O)nc1O 1814036860 GFYHHBHOGMFFKV-UTKZUKDTSA-N 485.545 -0.269 50 20 JBGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1cc3n(n1)CCCNC3=O)CC2)c1cccc(B(O)O)c1 1815356956 WNYHKSPWONXQSM-CQSZACIVSA-N 494.342 -0.308 50 20 JBGD O=C(CSc1nc[nH]n1)Nc1nc2c(s1)C[C@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1826667179 KNNCDUJOHMGGMY-GFCCVEGCSA-N 458.334 -0.041 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(CN(C(=O)CCc3ccco3)CCO2)C1 1833049147 PMKTYUSQPGAWCU-QFIPXVFZSA-N 457.487 -0.019 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(OC(F)F)cn1)CCO2 1833639678 WTJMBSSWLPGZLX-QFIPXVFZSA-N 491.256 -0.253 50 20 JBGD CC(=O)N(C)CCC(=O)NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1833669700 FQMJLRNKAIVODX-UHFFFAOYSA-N 458.368 -0.580 50 20 JBGD C[C@@H](C(=O)N1CCC(N2CCC(NC(=O)c3cnccc3C(=O)NN)CC2)CC1)n1cnnn1 1835737283 FCHOKZICWFERSD-AWEZNQCLSA-N 470.538 -0.882 50 20 JBGD C[C@H](Oc1ccccc1)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835932088 NHSMILHEZWJXPK-MHECFPHRSA-N 468.315 -0.096 50 20 JBGD O=C(CN1C(=O)CSC1=S)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839203781 WFDPAGLMANRRSV-SWLSCSKDSA-N 484.369 -0.006 50 20 JBGD O=C(CN1C(=O)CSC1=S)N1CCOC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839203782 WFDPAGLMANRRSV-WFASDCNBSA-N 484.369 -0.006 50 20 JBGD CC[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3ccncc3=O)CCO2)C1 1839665320 YDACPBDIJDBZMX-RDTXWAMCSA-N 457.325 -0.127 50 20 JBGD C[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)N3CCN(C)CC3)C2)C1 1840034789 XJTMGBICBHQBOK-GPMSIDNRSA-N 461.401 -0.138 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)[C@H]2CCc3nc(O)nc(O)c3C2)C1 1842057607 RBOMHVHLAFXPBI-AWEZNQCLSA-N 452.276 -0.810 50 20 JBGD C[C@@H](O)[C@H](NC(=O)c1ccccc1)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CCC(=O)NN(C)C 1847436927 IUXHWZFGIBLKIB-NKMKZGIRSA-N 459.547 -0.259 50 20 JBGD COC(=O)/C=C/c1cc(OC)c(OC)c(S(=O)(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c1 728509340 CJZIEOUYVUMMGC-FGEFZZPRSA-N 465.506 -0.863 50 20 JBGD CNS(=O)(=O)c1cc(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)ccc1OC 912852060 GLPQMOHPJSJNBH-UHFFFAOYSA-N 455.518 -0.029 50 20 JBGD COc1ccc(C(=O)NNC(=O)COC(=O)Cc2ccc(S(N)(=O)=O)s2)cc1OC 914961288 JIJMEYBTIJKZSK-UHFFFAOYSA-N 457.486 -0.040 50 20 JBGD CC(C)[C@H](CNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)N1CCN(C)CC1 916258295 RCMGXUKMMGCFAU-FQEVSTJZSA-N 496.634 -0.077 50 20 JBGD O=C(CNS(=O)(=O)c1c[nH]c2ncccc12)NNC(=O)c1csc(N2CCOCC2)n1 918759379 WVSPCDCIHDHJNE-UHFFFAOYSA-N 465.517 -0.405 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)c3ccc([N+](=O)[O-])c4c3OCO4)C2)C1 1780235163 RKWVDUJLVNYFFA-JOCHJYFZSA-N 483.242 -0.239 50 20 JBGD COc1ccnc(C(=O)N2CC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)c1OC 1780448828 SZONMEJBDBBWQM-QFIPXVFZSA-N 455.276 -0.464 50 20 JBGD CC(=O)Nc1ccc(C(=O)N2CC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)cc1O 1782123855 FREKYLQBPRWJFW-QHCPKHFHSA-N 467.287 -0.212 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3nnc4ccccc43)[C@H]2C1 1784899829 HCCUEUQXDIAJDE-BXWFABGCSA-N 457.535 -0.216 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)N3CCN(C)CC3)[C@H]2C1 1789799106 JEWXRFKEYACTAR-CIAAACESSA-N 487.605 -0.264 50 20 JBGD CN(CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1CC(O)C1)NC(=O)NCc1ccccc1 1792892338 FUGHSZNBYPAPTM-XUOIZXLYSA-N 459.547 -0.307 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(N3CCOCC3)c1)C2)c1ccc(B(O)O)cc1 1795736274 UVINTAWRKLZBAN-JHDGKUDLSA-N 479.342 -0.280 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@@H]1COc3ccccc3O1)C2)c1cccc(B(O)O)c1 1795737786 SZPZBMWZBZEIQE-PDPLOHQNSA-N 466.299 -0.200 50 20 JBGD COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(=O)NN(C)C)C3)n1 1796719480 QVBQGZLPYWJOLX-IVWMJMPLSA-N 464.479 -0.425 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCc2nc[nH]c2C1 1801268302 HAGDIIGOVNDQIL-VYGYDYRJSA-N 453.503 -0.584 50 20 JBGD C[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1802111915 JPFHBNTTZDHFBS-RMYQPGKMSA-N 465.315 -0.612 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)c2cnc(O)nc2O)[C@H]1c1cccnc1 1813071535 UEHOSXSJULUDAV-KSSFIOAISA-N 457.491 -0.025 50 20 JBGD O=C(COC1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1830373758 HQHDAUWZUCGIRA-QHCPKHFHSA-N 460.336 -0.214 50 20 JBGD C[C@@](Cl)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CC(=O)NC3=O)CCO2)C1 1832480186 BBDLORVZCUAINQ-IAGOWNOFSA-N 451.307 -0.769 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC1CCN(C2CCN(C(=O)Cn3nccn3)CC2)CC1 1835117861 SPHLCXCZWGIZLF-JVWAILMASA-N 469.550 -0.016 50 20 JBGD CC(C)CNC(=O)C(=O)NC1CCN(C2CCN(C(=O)c3cnccc3C(=O)NN)CC2)CC1 1835129195 DTJPEKXNNWHOFK-UHFFFAOYSA-N 473.578 -0.358 50 20 JBGD CN1CCN(CCC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](F)Br)C3)C2)CC1 1835402843 SUCQSTHKLKVUBV-FUHWJXTLSA-N 465.364 -0.229 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC1CCN(C2CCN(C(=O)[C@@H]3CCNC(=O)C3)CC2)CC1 1835738274 RCTCZJKPSBCUNC-OAHLLOKOSA-N 471.562 -0.604 50 20 JBGD COc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)ccc1F 1835934475 VCVLTGBZZGHGNT-QHCPKHFHSA-N 472.278 -0.102 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnoc3C3CC3)C2)C1 1837456395 HIQRHICJHQEERG-QFIPXVFZSA-N 470.486 -0.066 50 20 JBGD CC(=O)N1CCN(CC(=O)N2CCC(OC3CCN(C(=O)CCC(=O)NN(C)C)CC3)CC2)CC1 1838301262 YTKBGKYGKYTTDE-UHFFFAOYSA-N 494.637 -0.478 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3C[C@H](O)CN3)CCO2)C1 1839076929 WURJWOQUHNLONS-OSAWLIQMSA-N 490.985 -0.702 50 20 JBGD C[C@@H](Cc1ccncc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1839658236 XFFKZMFJIPPXEQ-UUOWRZLLSA-N 467.331 -0.290 50 20 JBGD COC(=O)c1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)cc1 1840277475 DFNNVOMSJZKOFB-VWLOTQADSA-N 496.325 -0.534 50 20 JBGD Cc1cn(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)CBr)C3)C2)c(=O)nc1O 1840805959 KTFVAJFYQCDCES-DJJJIMSYSA-N 487.351 -0.255 50 20 JBGD CC(C)(C)OC(=O)N[C@H](CCCNC(=N)N)C(=O)N1CC2(CCCN2C(=O)[C@H](O)CCl)C1 1841350568 KMFZOVNWFBIICG-ZIAGYGMSSA-N 474.990 -0.054 50 20 JBGD CCn1cnc2c1c(=O)n(CC(=O)NNC(=O)CN1CSCC1=O)c(=O)n2Cc1ccccc1 10161305 RQXKCUNLKODRAM-UHFFFAOYSA-N 485.526 -0.892 50 20 JBGD CCN(CC)S(=O)(=O)c1cc(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)ccc1OC 729276174 YGPOXIBVAGTBCO-NSHDSACASA-N 450.539 -0.576 50 20 JBGD CNC(=O)CN1CCC(NC(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)CC1 916516581 DBOJNVXKSWLIFF-UHFFFAOYSA-N 454.553 -0.844 50 20 JBGD O=C(NCCC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2)c1ccccc1 1785327747 RSDVUNHKEQVTQA-DEOSSOPVSA-N 465.315 -0.370 50 20 JBGD COc1ncccc1CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786984390 CEAFEAYLZLLFRX-JBACZVJFSA-N 467.331 -0.004 50 20 JBGD CN1CCN(C2(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]43)CC2)CC1 1789807303 BGRAHMJEXLVJRI-FHWLQOOXSA-N 464.611 -0.881 50 20 JBGD COC(=O)[C@@H]1CCC[C@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)C1 1791241704 DYFVXQXLYSMRQS-YLDYLXSOSA-N 472.347 -0.061 50 20 JBGD CN(CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc(O)[nH]1)C2)NC(=O)NCc1ccccc1 1799097099 BICYXBBHISGHEZ-HGKCTWBKSA-N 471.518 -0.335 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(=O)c1cccn1C 1801442491 GHXGMJBTUIYYTB-FJABVQHVSA-N 454.487 -0.069 50 20 JBGD CCS(=O)(=O)CC(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1803515315 RDKIMLMRAUKIBT-PXNSSMCTSA-N 459.333 -0.484 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1CCN(C(=O)Cn2cnnn2)[C@@H]1c1cccnc1 1808415463 WRVCQJVIEGROAT-AMZMXHDESA-N 464.490 -0.092 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@H]1CCN(C(=O)CN(C)C(=O)C(=O)O)[C@@H]1c1cccnc1 1808416354 NOXXAJBAMDSCKP-RUVVGEKZSA-N 497.512 -0.236 50 20 JBGD COC[C@H](NC(C)=O)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1819608713 XCOYNJZNJAQDCC-ROUUACIJSA-N 457.296 -0.454 50 20 JBGD CC(=O)OC[C@@H](OC(C)=O)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cccc(B(O)O)c1)CC2 1819855460 KJFJPQVTSHQISG-DOTOQJQBSA-N 489.315 -0.457 50 20 JBGD O=C(c1cc(=O)n2[nH]nnc2n1)N1CCC([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827054960 QKOAFNSVFAISLV-GOSISDBHSA-N 479.306 -0.961 50 20 JBGD CCS(=O)(=O)CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)CBr)CCO2 1830535587 QOCZCVYYXSNHGE-CZUORRHYSA-N 455.371 -0.092 50 20 JBGD O=C(/C=C/C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2)NCc1ccco1 1830730866 GDBUQINJNRLROL-ZLSGJYCMSA-N 455.895 -0.492 50 20 JBGD CS(=O)(=O)Cc1ncccc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1833564212 VCWAKBCNBGMCFL-VQIMIIECSA-N 475.951 -0.704 50 20 JBGD O=C(c1ccc2n[nH]cc2c1)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835935364 CDHLKDKMFVTCJL-QHCPKHFHSA-N 464.287 -0.374 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c(C4CC4)c3F)C2)C1 1837456182 DTJPNIQZAIDIKP-JOCHJYFZSA-N 487.492 -0.192 50 20 JBGD CN1CCC(C(=O)N2CCOC[C@]3(CN(C(=O)c4cnccc4C(=O)NN)CCO3)C2)CC1 1837456502 NQTNWSDGHNMHLX-JOCHJYFZSA-N 460.535 -0.903 50 20 JBGD O=C(CCN1CCOCC1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839198841 DLRSNZCFMUMNQR-NVXWUHKLSA-N 452.321 -0.144 50 20 JBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)C3(N4CCN(C)CC4)CC3)C2)C1 1840154041 IWHANABZJBYTEX-FXAWDEMLSA-N 458.987 -0.523 50 20 JBGD C[C@](O)(CC(=O)O)CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1840181180 SEBSWLRJNMSOLU-FVQBIDKESA-N 455.277 -0.251 50 20 JBGD C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1)n1cccc1C=O 1840183915 HTZDJWZGPWLTTK-VGSWGCGISA-N 463.535 -0.309 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3nn[nH]c3C(F)(F)F)C2)C1 1840184936 CIDBQJKMXJSKAF-QGZVFWFLSA-N 477.444 -0.734 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1840185076 HSMQCRAIXBXBGS-QHCPKHFHSA-N 483.529 -0.122 50 20 JBGD NC(=O)CC[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)NNC(=O)c1ccccc1 769750622 CZGHNPGYMLNLTH-OAHLLOKOSA-N 462.484 -0.169 50 20 JBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNS(=O)(=O)c2ccc3c(c2)C(=O)N(C)C3=O)cc1 861548421 QHGHIQKPNWXCCU-UHFFFAOYSA-N 480.524 -0.149 50 20 JBGD O=C1CN(S(=O)(=O)c2cccc(C(=O)NNC(=O)c3cc(Br)c[nH]3)c2)CCN1 906555125 ZEHKCCZKTYPBRI-UHFFFAOYSA-N 470.305 -0.028 50 20 JBGD COc1cc2c(cc1OC)[C@H](CC(=O)NNC(=O)c1ccc(=O)n(C)n1)N(S(C)(=O)=O)CC2 913161257 GHFJHOJQHXFFCA-HNNXBMFYSA-N 479.515 -0.492 50 20 JBGD COC(=O)/C=C\c1cc(OC)c(OC)c(S(=O)(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)c1 921021542 UYGUVGAWTVLKTD-QMAVJUDZSA-N 462.502 -0.366 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=C\C(=O)NC2CC2)C1 1779230093 WWZDGOBQBQRMAD-FJIKSPBJSA-N 470.530 -0.353 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](O)N2CCOCC2)C1 1779414033 VBOLIVVTXKKSRX-CVZFPUQOSA-N 490.561 -0.715 50 20 JBGD CN(C)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1785756632 XRGYMGVSQGMZSM-LRQRDZAKSA-N 452.320 -0.266 50 20 JBGD O=C(CN1CCS(=O)(=O)CC1)NC1(c2ccc(NC(=O)c3ccc(B(O)O)cc3)cc2)CCC1 1788140065 DSGSRXVNMRIUEE-UHFFFAOYSA-N 485.371 -0.156 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccnc3CS(C)(=O)=O)C[C@@H]21 1791288884 ZPLLOMCCWCGJMG-IEZWGBDMSA-N 495.602 -0.408 50 20 JBGD COC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN(C)NC(=O)NCc1ccccc1)C2 1795134136 ZSZILYWBQJLWGK-OPMZPASUSA-N 475.546 -0.125 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cn3c(F)cccc3n1)C2)c1ccc(B(O)O)cc1 1795735991 NIPJOPULNYYWIT-YVWYUNDQSA-N 452.251 -0.330 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1cccn(C(F)F)c1=O 1797993119 STSAMRSNENBDCD-XOIINTDNSA-N 461.230 -0.560 50 20 JBGD C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1802128139 YYNDUFIDDGKUNT-PIKOESSRSA-N 485.346 -0.514 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)CN2C(=O)CNC2=O)[C@H]1c1cccnc1 1804096649 XKGJXRLLSQFIGQ-MGPUTAFESA-N 459.507 -0.988 50 20 JBGD O=C(NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1)c1cccc(=O)n1O 1804953444 ZVHVYRNNPJPMNP-UWJYYQICSA-N 462.271 -0.206 50 20 JBGD O=C(NC[C@@H]1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807369625 QLNCNSYQTSWUDT-UWJYYQICSA-N 478.274 -0.114 50 20 JBGD CC(C)CNC(=O)C(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807373847 CPCDAHOIVJFRIY-UYAOXDASSA-N 452.320 -0.147 50 20 JBGD CCOC(=O)N[C@H](O)C(=O)NC[C@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1 1810093778 IKBVKUOZLHAUOE-MOXGXCLJSA-N 464.523 -0.475 50 20 JBGD COC(=O)CSCC(=O)N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815350526 XFFYFMGJHODRDL-ZDUSSCGKSA-N 463.346 -0.045 50 20 JBGD CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N2CCOC[C@@]3(CN(C(=O)[C@@H](O)CCl)CCO3)C2)C1 1830738452 OZBLDEYSTJBLID-IWMITWMQSA-N 491.969 -0.586 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CNC(=O)C3)C2)C1 1832551485 PGZJGYLNHILJQU-VFCRVFHLSA-N 488.969 -0.289 50 20 JBGD O=C(Cc1cccc(Cl)n1)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1833174463 AJLAMTHDSHOLNA-QFIPXVFZSA-N 473.722 -0.273 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(O)nc(Cl)c1)CCO2 1833583057 JUXLSSXMAZIOCW-FQEVSTJZSA-N 469.926 -0.116 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccnn1C)CCO2 1834233899 NLKLBSHGGUVRQP-MNQDVBFDSA-N 457.491 -0.376 50 20 JBGD Cc1nc(CC(=O)N2CCC(N3CCC(NC(=O)c4cccc(B(O)O)c4)CC3)CC2)no1 1834800049 RHXDVVZDXQRNCP-UHFFFAOYSA-N 455.324 -0.514 50 20 JBGD Cc1nn(C)c(C)c1C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835927589 USXJYDUVTIUMRF-JOCHJYFZSA-N 456.308 -0.899 50 20 JBGD CSCC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835927876 ZFAZJSSGJMDBIW-OAQYLSRUSA-N 450.366 -0.174 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)c3cc(Cl)c(O)cc3O)C2)C1 1835931082 FIYYQNDTXDIHCP-JOCHJYFZSA-N 490.705 -0.185 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccn4nccc34)C2)C1 1837459390 FCWTZEHGAPCOQF-HSZRJFAPSA-N 479.497 -0.283 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)c1cc(-c3cccnc3)[nH]n1)CCO2 1838027611 DELDFCIGJHHJRI-DEOSSOPVSA-N 491.313 -0.465 50 20 JBGD CC(C)(C)n1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)nn1 1838756793 UALLJXSBHDPELK-QFIPXVFZSA-N 471.323 -0.903 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccn4nccc4c3)C2)C1 1840184650 ZPGZZLBDGROUIZ-QFIPXVFZSA-N 458.519 -0.223 50 20 JBGD O=C(c1cc(=O)nc2cccnn12)N1CCOC[C@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1840188894 JMQQEVICYBVYHH-SFHVURJKSA-N 456.286 -0.037 50 20 JBGD NC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)NNC(=O)CCOc3ccccc3)CC2)o1 747108258 RIJPUQQSDNMSEF-UHFFFAOYSA-N 465.488 -0.105 50 20 JBGD CC(C)Cn1cnc2c1c(=O)n(CC(=O)NNC(=O)[C@H]1CC(=O)N(C)C1)c(=O)n2Cc1ccccc1 914755945 BSQUAXJQSMKAQI-KRWDZBQOSA-N 495.540 -0.310 50 20 JBGD CC(C)(C)OC(=O)NC1(C(=O)N2CC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)CC1 1785711126 DRKKLJPZKXOSCT-JOCHJYFZSA-N 473.335 -0.133 50 20 JBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CC(=O)N(C2CCCC2)C1 1793779804 ONJIJVRKOBQDCW-DBHNTLKXSA-N 463.579 -0.260 50 20 JBGD COc1cccnc1CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1794030332 IDASSPDHGRSDPJ-USGNIVHTSA-N 468.514 -0.075 50 20 JBGD CS(=O)(=O)c1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)c1 1795737706 LGRKORHSFMAFPP-XEMDLRDOSA-N 472.328 -0.713 50 20 JBGD C[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)NC(=O)c1cnccn1 1797871518 XOHAQNFSYMXMLC-BAYHKCFCSA-N 454.325 -0.032 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@H](CNC(=O)CCN2C(=O)C=CC2=O)[C@@H]1c1cccnc1 1803917628 OJYPHZURWUMKTR-AOMKIAJQSA-N 491.508 -0.285 50 20 JBGD COc1ccc([C@H](O)C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)cc1 1830212974 CVCICDJMKJQIFX-XUZZJYLKSA-N 484.314 -0.821 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3cn[nH]c3)CCO2)C1 1832938672 QZLLQWPPJVECOD-SYOQMXFQSA-N 471.518 -0.067 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)c3cc(CO)on3)CC2)CC1)c1cccc(B(O)O)c1 1834801224 RQLKTHQTPMHQRC-UHFFFAOYSA-N 456.308 -0.654 50 20 JBGD COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)cc1C 1835934000 JVRIPFOHQUGNEG-RUZDIDTESA-N 482.342 -0.004 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)c3cc4cnccc4[nH]3)C2)C1 1835937189 RPQHTVSKHGMCKR-HSZRJFAPSA-N 464.287 -0.374 50 20 JBGD CCCC(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837459470 QXAZJLVKOMSZJP-QRQCRPRQSA-N 476.534 -0.940 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)Cc3ccccc3)C2)C1 1837460784 KPMGOPLMLQWAJB-HYBUGGRVSA-N 483.525 -0.641 50 20 JBGD O=C(CN1CCOCC1)N1CCC(OC2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1837803526 ZHBPKFZGVMOAIU-UHFFFAOYSA-N 459.352 -0.689 50 20 JBGD Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)c(O)n1 1838671422 HYXOWIVHHSKMDL-JOCHJYFZSA-N 470.486 -0.522 50 20 JBGD Cc1ccn(C)c1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1838819638 PVTHAGQOVHTWMV-QFIPXVFZSA-N 456.503 -0.284 50 20 JBGD O=C(c1cc(=O)n2[nH]cnc2n1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839199326 NGQXBKYLMCDLMK-MLGOLLRUSA-N 473.259 -0.822 50 20 JBGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCCS3(=O)=O)C2)C1 1840035508 UMLROTYPVNZCBA-WOSRLPQWSA-N 453.355 -0.197 50 20 JBGD CCS(=O)(=O)N[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnccc2C(=O)NN)C1 1779371533 XOWCVIJHZQEBCC-SOIKWTOOSA-N 496.590 -0.860 50 20 JBGD COC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783934245 CSWNFQJUCAZIOY-ZHRRBRCNSA-N 485.582 -0.271 50 20 JBGD CN(C)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786980136 MMOMETPJWXVGQB-LRQRDZAKSA-N 452.320 -0.266 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CC[C@@H]4CCC(=O)N4C3)C[C@@H]21)c1ccc(B(O)O)cc1 1786981873 NTVRDEXGNASWOR-WJRACZLCSA-N 469.347 -0.639 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4cccnc4nc3O)C[C@@H]21)c1ccc(B(O)O)cc1 1786982026 YUQZMHXEIDYXAN-VDGAXYAQSA-N 476.298 -0.078 50 20 JBGD Cc1cc(C)n(CCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)n1 1786986648 UVVNDVDKZMZYDL-JBACZVJFSA-N 454.336 -0.137 50 20 JBGD C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)n1cccc1C=O 1786993289 CAEPWTSZVGVHHZ-GWKIZSTFSA-N 453.304 -0.165 50 20 JBGD COc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)c(O)c1OC 1790161356 CAEPFOFEOQBRCQ-QSFXBCCZSA-N 484.314 -0.004 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCCn3ccnc3)[C@H]2C1 1791565426 XOTOUSPGJCQVGW-SNRMKQJTSA-N 455.519 -0.045 50 20 JBGD Cc1cc(C(=O)NCC(=O)N2CC[C@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)no1 1807359802 DUQAQSVROSDVBL-XMSQKQJNSA-N 491.313 -0.193 50 20 JBGD O=C(Cn1ccccc1=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807439702 XNDNTOJYNJJIFP-CVDCTZTESA-N 460.299 -0.057 50 20 JBGD CC[C@H](NC(N)=O)C(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1808228407 CZHKRUPYXVIFBC-NZSAHSFTSA-N 453.308 -0.472 50 20 JBGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](NC(=O)c3ccccc3)[C@@H](C)O)CCO2)C1 1830352929 UWPRHRBJEQLUHX-NZQNYPKQSA-N 497.976 -0.124 50 20 JBGD CS(=O)(=O)c1cncc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)c1 1833396198 GQHHFXGERNYAHS-QAPCUYQASA-N 461.924 -0.845 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)Cn3ccccc3=O)CC2)CC1)c1cccc(B(O)O)c1 1834801245 VRMFTTSNJPBZBW-UHFFFAOYSA-N 466.347 -0.587 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc3n(n1)CCCC3)CCO2 1836980558 IASILZGDZVJEKR-JOCHJYFZSA-N 462.551 -0.338 50 20 JBGD C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnccc1C(=O)NN)CCO2 1837459901 OUGJYKYRIOEQOZ-JOCHJYFZSA-N 475.502 -0.736 50 20 JBGD COc1ccnc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)c1 1837953135 IYULHDZTHWPCJG-QFIPXVFZSA-N 455.276 -0.846 50 20 JBGD O=C(c1ccc(N2C(=O)C=CC2=O)cc1)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1840770944 UBOJRNWXEREWIW-VGSWGCGISA-N 477.901 -0.214 50 20 JBGD CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N2CC3(CCCN3C(=O)c3ccc(B(O)O)cc3)C2)[C@H](O)C1 1843009745 DNBSVBXTGKHGQQ-RTBURBONSA-N 487.362 -0.199 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)c2ccc(-n3c(O)nnc3O)cc2)C1 1844739648 FINGRCHLAHNZDQ-UHFFFAOYSA-N 478.469 -0.192 50 20 JBGD CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NNC(=O)Cn1cnc2ccccc21 17405865 WHKOBKVBKYZFQZ-QGZVFWFLSA-N 493.567 -0.035 50 20 JBGD NC(=O)[C@H]1CC(C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)=NN1c1ccc(F)cc1 728314322 NZNQNKRJZSTUJZ-QAPCUYQASA-N 485.428 -0.224 50 20 JBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 729276141 XQWJNNZECVFELD-GFCCVEGCSA-N 498.539 -0.043 50 20 JBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)NCc2cccc(C(F)(F)F)c2)n(C)c1=O 742458343 XMSDDGHZMUDWCB-UHFFFAOYSA-N 453.381 -0.017 50 20 JBGD CNS(=O)(=O)c1cccc(S(=O)(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c1 747410194 RAOLNGRZDQDMTF-UHFFFAOYSA-N 476.558 -0.532 50 20 JBGD O=C(NNC(=O)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1)c1ccc(-n2cnnn2)cc1 918002227 WAYZUIPPIHFCSE-UHFFFAOYSA-N 481.498 -0.217 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)c3cnc(OCF)cn3)CCO2)C1 1779029532 YSNFIMQTNOHMCQ-HXUWFJFHSA-N 459.438 -0.462 50 20 JBGD COc1nn(C)cc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnccc2C(=O)NN)C1 1779371197 PTKCRYGGPOPODJ-VGOFRKELSA-N 471.518 -0.132 50 20 JBGD COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1783850584 GNASBTLLYQNCTB-YYDVJCTNSA-N 456.304 -0.435 50 20 JBGD CCS(=O)(=O)N[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)CBr)C2 1793309838 LAMFYALWANPSTC-XHJNMGKDSA-N 454.387 -0.065 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)[C@@H]1COc2ccccc2O1 1793840752 SSLZRRQOUAAMEH-GQSCTRQFSA-N 452.272 -0.590 50 20 JBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3cn[nH]c3cn1)C2 1797751573 IPFRFHJDZPGZIN-IVWMJMPLSA-N 450.459 -0.527 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1cnn2cccc(F)c12 1800121931 RBJBHMNBCLLQKX-CCWDJLKJSA-N 452.251 -0.330 50 20 JBGD Cc1nn2cc(CC(=O)N3CCO[C@@]4(COCCN(C(=O)[C@@H](O)CCl)C4)C3)nc2s1 1832101003 JGGAMYJYUIFITO-KSSFIOAISA-N 457.940 -0.302 50 20 JBGD C[C@H](NC=O)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](CCl)NC(=O)OC(C)(C)C)CCO2 1832551291 HRYFEWBZVXRPLB-AVYPCKFXSA-N 476.958 -0.291 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(CN(C(=O)CCc3ccccn3)CCO2)C1 1833186958 BUAPDTVLCIRXCH-QHCPKHFHSA-N 468.514 -0.217 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC1CCN(C2CCN(C(=O)[C@H]3CNC(=O)C3)CC2)CC1 1835118076 OKPBZNBFQSAHTJ-WJGWSCHNSA-N 471.562 -0.172 50 20 JBGD Cc1ccc(C(=O)NCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)cc1 1835933496 ARTDKQGTHMCZRX-RUZDIDTESA-N 495.341 -0.825 50 20 JBGD O=C(c1ccc(-n2cnnc2)cc1)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835935763 PYUDIVHXGDUQNL-DEOSSOPVSA-N 491.313 -0.669 50 20 JBGD O=C(C/N=C/c1ccco1)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1837563379 XLINVKXNWSLRSU-NWBNNPRYSA-N 455.276 -0.852 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CC(=O)Nc1ccc(F)cc1)CCO2 1839030267 IBHQLYJJWUEKGU-QHCPKHFHSA-N 493.536 -0.016 50 20 JBGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cn4c(nc3=O)SCC4)CCO2)C1 1839044777 XHZSIPTYJMQAFD-YWZLYKJASA-N 486.978 -0.398 50 20 JBGD COc1ncc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)cc1F 1840183657 RLZINBMWGXDMHH-OAQYLSRUSA-N 467.498 -0.328 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CC(c4ccccc4)=NN3)C2)C1 1840185741 WLHLBRAGKRRNKD-YKSBVNFPSA-N 486.573 -0.418 50 20 JBGD Cc1nccn1[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1840490822 MXNKEYHUQOVFTC-ZHRRBRCNSA-N 456.308 -0.797 50 20 JBGD CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NNC(=O)C(=O)N2CCCC2)o1 748240246 DBWFONORWWLQEJ-GFCCVEGCSA-N 456.477 -0.621 50 20 JBGD CCn1nc(C(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)c2ccccc2c1=O 914456890 DBHMTISNNJHKJS-UHFFFAOYSA-N 498.521 -0.388 50 20 JBGD CS(=O)(=O)NCCNC(=O)NNC(=O)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1 916294646 RKVLRWGLGJAZHM-UHFFFAOYSA-N 458.504 -0.118 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc4c(c3)n(C)c(=O)n4C)C2)C1 1777867560 HITJSRWIAPWSAK-QHCPKHFHSA-N 472.546 -0.307 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](O)Cc3ccccc3)C2)C1 1783341612 JAYDNAGONVEYFM-CVDCTZTESA-N 453.499 -0.268 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc(N3C(=O)C=CC3=O)cc1)CCO2 1783937378 HNZLNDYCQKCVPK-XMMPIXPASA-N 483.525 -0.068 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1cc(Cl)c2nncn2c1 1788558573 LQPWXAPHMTZTLM-FNHZYXHNSA-N 483.721 -0.030 50 20 JBGD CC(=O)N1CCC(N2CCC(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)[C@@H](O)CCl)C4)CC2)CC1 1797280963 QARRVCDVTIOQNK-YHELAOLJSA-N 485.025 -0.101 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@H]1CCN(C(=O)Cn2cnnn2)[C@H]1c1cccnc1 1808415470 WRVCQJVIEGROAT-RBIZEYAUSA-N 464.490 -0.092 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)C[C@H]2NC(=O)NC2=O)[C@@H]1c1cccnc1 1813069819 CMRHDLHQYUWYRR-QMTMVMCOSA-N 459.507 -0.942 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H](O)N2CCOCC2)n[nH]1 1819448766 DKXZEDBLYOUUAO-FOIQADDNSA-N 451.528 -0.575 50 20 JBGD NNC(=O)c1ccncc1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H]1CCC(=O)NC1)CC2 1819790052 DQYQSUPFMMQKCI-GHMZBOCLSA-N 457.516 -0.106 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827060110 BBOHGPWMRKFXTL-HXUWFJFHSA-N 458.368 -0.027 50 20 JBGD CC(C)(C)OC(=O)N1C(=O)CC[C@@H]1C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](O)CCl)CCO2)C1 1830738114 LXLYMVAOYRVOFH-PZPWOCDFSA-N 489.953 -0.031 50 20 JBGD CN(C)c1cncc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)c1 1833361144 KMRAYNZEOVOUIJ-HSZRJFAPSA-N 468.319 -0.789 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)CCc3cnccn3)CC2)CC1)c1cccc(B(O)O)c1 1834801450 KJSYFMLAMDTTNN-UHFFFAOYSA-N 465.363 -0.026 50 20 JBGD CC[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)CNCP(=O)(O)O)CCO2)C1 1835542683 ZSQSPDVNZCDSQK-SWLSCSKDSA-N 472.273 -0.659 50 20 JBGD CCCC(=O)N[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1835818354 FLSXTQHQWOPOEI-QGZVFWFLSA-N 472.395 -0.144 50 20 JBGD C[C@@H](Nc1nccs1)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835928327 KTJYWYDUGGCPLJ-VFNWGFHPSA-N 474.348 -0.607 50 20 JBGD COc1nccc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)c1F 1835935387 DJERIEKVHDBSMR-JOCHJYFZSA-N 473.266 -0.707 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4c(F)cccc34)C2)C1 1835937183 RIPYXDWNGMWBQZ-QHCPKHFHSA-N 482.277 -0.234 50 20 JBGD COc1ncccc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837455992 AMCPDUKRKCJNCZ-QFIPXVFZSA-N 470.486 -0.528 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cn4ccsc4n3)C2)C1 1837459680 WLSHUJPILOAMME-OAQYLSRUSA-N 485.526 -0.222 50 20 JBGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)n1nc(C)ccc1=O)CCO2 1837659227 VWGVCBCVKIODID-IIBYNOLFSA-N 470.954 -0.003 50 20 JBGD COC[C@H](NC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@](C)(Cl)CCl)C2)C1 1837733524 AYUOAFKDCDKWOH-WBAXXEDZSA-N 454.351 -0.170 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc([N+](=O)[O-])[nH]3)CCO2)C1 1838827229 ZCDMFQQTQQXPTB-FQEVSTJZSA-N 473.446 -0.695 50 20 JBGD CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](C(=O)N2CC3(CCCN3C(=O)c3ccc(B(O)O)cc3)C2)C1 1843011384 XVYDKPHHXKWPBI-MOPGFXCFSA-N 487.362 -0.199 50 20 JBGD C[C@H](Br)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 1848150082 GHKOROPHQAAHRF-SRVKXCTJSA-N 467.324 -0.581 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)c3cc(-c4ccncc4)[nH]n3)C2)C1 1779591643 UDZRJULNXLJXEW-HSZRJFAPSA-N 461.287 -0.091 50 20 JBGD C[C@@H](NC(=O)c1ccc(F)cc1)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1780906440 XVOBYSWMIORMOX-GYCJOSAFSA-N 483.305 -0.233 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)[C@@H]1CC(=O)N(C2CCCC2)C1 1784967868 PJDVWJFJVWMNLL-UDKICSLYSA-N 483.374 -0.249 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCOCC3)[C@H]2C1 1786724369 MZWGWXQNQYBGGU-MPKALDKKSA-N 460.535 -0.568 50 20 JBGD C[C@@H](Nc1cccnc1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786984517 OKQUOIBNWQHSQM-GWKIZSTFSA-N 452.320 -0.145 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1n[nH]c2c1CCCC2 1787314208 OIJFPFFBFBRFKL-QSFXBCCZSA-N 452.320 -0.125 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccn4c(O)nnc34)[C@H]2C1 1787385501 BJTCVBRDNJHBBU-ZLIFDBKOSA-N 480.485 -0.660 50 20 JBGD CN(CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(=O)n1C)NC(=O)NCc1ccccc1 1794587031 OBSWCDIBBQJBGR-BBIADKPPSA-N 496.568 -0.065 50 20 JBGD O=C(Cn1cccc([N+](=O)[O-])c1=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1 1796193203 UFMXMWIMHNNWGW-BJWYYQGGSA-N 454.248 -0.612 50 20 JBGD C[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN(C)NC(=O)NCc1ccccc1)C2)n1cncn1 1801359471 BOAGLSTUENKMNU-ROPHOZQPSA-N 484.561 -0.225 50 20 JBGD CC(=O)N(C)CCC(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1804067413 MPCLJBNINWJERZ-KNQAVFIVSA-N 452.320 -0.051 50 20 JBGD C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807359827 LSMXOAXEMAPLTO-XYTVPYNESA-N 462.315 -0.061 50 20 JBGD O=C(NC[C@H]1CCN(C(=O)CCN2CCOCC2)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807371513 WDSDRANQEXHOSF-OFNKIYASSA-N 466.347 -0.197 50 20 JBGD O=C(CS(=O)(=O)N1CCCC1)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1818108578 KLNBTPTYXIKDSG-SFHVURJKSA-N 489.363 -0.179 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)CN)C2)C1 1829356231 OOVCLNQRTGOYIX-HSZRJFAPSA-N 474.562 -0.230 50 20 JBGD C[C@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)C[C@H]3NC(=O)NC3=O)CCO2)C1 1832685649 QYMALFQXXREYOM-PSTGCABASA-N 461.313 -0.928 50 20 JBGD CCS(=O)(=O)N[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@H](O)CCl)CC2)CC1 1833449400 XJQSNZPUZDHQNG-XJKSGUPXSA-N 453.005 -0.515 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1)c1cnn2ccncc12 1835404412 ZJNYOIDCMCKCHD-UHFFFAOYSA-N 476.346 -0.092 50 20 JBGD COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)cc1O 1835926581 SUFYDGCRGHODAB-XMMPIXPASA-N 484.314 -0.607 50 20 JBGD COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)cc1O 1835934204 PPTAVEHZIHZHFT-XMMPIXPASA-N 484.314 -0.607 50 20 JBGD CN(CC(=O)N1CCC(N2CCC(NC(=O)[C@@H](F)Br)CC2)CC1)C(=O)C(=O)O 1836413411 AKRBJCOMJZVAMM-CQSZACIVSA-N 465.320 -0.209 50 20 JBGD O=C1COc2ccc(C(=O)N3CCO[C@]4(COCCN(C(=O)c5cccc(B(O)O)c5)C4)C3)cc2N1 1836991977 JVFDVTLAKFOYNF-DEOSSOPVSA-N 495.297 -0.919 50 20 JBGD CC[C@H](Br)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](COC)NC(C)=O)CCO2 1837735843 BAISKDOZILWWKX-DAYGRLMNSA-N 464.357 -0.233 50 20 JBGD CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)Br)CCO2)C1 1840036020 CKENMKGKJMBLAK-CRFBAAHOSA-N 486.367 -0.303 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cn1cnc3ccccc31)CCO2 1840103053 JWWJTOBQPCVQOV-QHCPKHFHSA-N 472.546 -0.134 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@](C)(O)C(F)(F)F)C2)C1 1840182316 GTFGAIZZNBLTKQ-DLBZAZTESA-N 454.446 -0.871 50 20 JBGD COc1ccc(S(=O)(=O)N2CCC(C(=O)NNC(=O)C(=O)NC(C)C)CC2)cc1OC 744446933 PJODWGSFZAYQOV-UHFFFAOYSA-N 456.521 -0.224 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)c3cnn4cccc(F)c34)C2)C1 1782553163 RHQSUQJTCUZFJR-QFIPXVFZSA-N 452.251 -0.090 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C[C@@H]21 1788611068 JCPSCJRHTHWFHS-XEGUGMAKSA-N 458.435 -0.777 50 20 JBGD CC(C)(C)OC(=O)NCC1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)CC1 1792544812 XFZFHDGUASVPKQ-IZZQQSIFSA-N 487.362 -0.126 50 20 JBGD CC(C)(C)OC(=O)N1CCC(O)(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](O)CCl)CC1 1792974783 CEUZYQJOQRJMIH-FZKCQIBNSA-N 475.970 -0.062 50 20 JBGD CCNC(=O)N[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C(C)=N/NC(=O)c1ccc[nH]1)C2 1797696866 BFVFCKLRNOIEPE-OFQQRBQPSA-N 461.523 -0.582 50 20 JBGD C[C@H](CS(C)(=O)=O)C(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807360301 QUQAEIHXXRRSOT-MOXGXCLJSA-N 473.360 -0.238 50 20 JBGD CN1CCN(CC(=O)NC[C@H]2CCN(C(=O)c3cnccc3C(=O)NN)[C@H]2c2cccnc2)CC1 1809599806 MZYXOMNPYJFTBV-GCJKJVERSA-N 480.573 -0.353 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCC2(CCCN(C(=O)c3n[nH]c4c3CS(=O)(=O)C4)C2)CC1 1810260476 DMVZPKXXQIEXQF-UHFFFAOYSA-N 486.359 -0.324 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc([N+](=O)[O-])o1)CCO2 1829489239 BMBJORMWVIOJPC-IBGZPJMESA-N 453.452 -0.369 50 20 JBGD O=C(c1c[nH]c2nccc-2c1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835928096 DMQVCYDCTBTLNL-QHCPKHFHSA-N 464.287 -0.422 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)c3cc(Cl)nc4n[nH]cc34)C2)C1 1835928301 JFSKDWQUGMLXHJ-JOCHJYFZSA-N 499.720 -0.325 50 20 JBGD C[C@H](Oc1cccnc1)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835933577 CGILWSCNOGUITD-SBUREZEXSA-N 469.303 -0.701 50 20 JBGD CC(=O)O[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1)C(C)C 1837217229 MJNCKRVRKKHNGM-KNQAVFIVSA-N 462.308 -0.976 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4ccccn4n3)C2)C1 1840184604 WUGNCIXCROMTKV-QFIPXVFZSA-N 458.519 -0.223 50 20 JBGD CC(C)N1CCC[C@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1840585080 WUKZHMWRYXWRQG-PGRDOPGGSA-N 453.584 -0.311 50 20 JBGD O=C(NNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F)c1ccc(-n2cnnn2)cc1 104741142 RHASCIIILDUEHH-UHFFFAOYSA-N 475.462 -0.103 50 20 JBGD C[C@H]1CN(CCNC(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CCO1 726256529 OEOXHPDORDKKPG-KRWDZBQOSA-N 483.591 -0.309 50 20 JBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 729276142 XQWJNNZECVFELD-LBPRGKRZSA-N 498.539 -0.043 50 20 JBGD Cn1c(CCC(=O)NNC(=O)c2cnn[nH]2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 729456690 BICYLJAGIPGQPT-UHFFFAOYSA-N 462.492 -0.894 50 20 JBGD COc1ccccc1NCC(=O)NNC(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C 825644035 PWTGWMYQUZLDEE-UHFFFAOYSA-N 451.505 -0.072 50 20 JBGD O=C(CCNS(=O)(=O)c1cccnc1)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 914830584 HSHGRBAYORGQKI-UHFFFAOYSA-N 481.556 -0.004 50 20 JBGD Cn1cc(S(=O)(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cn1 917728690 GZGMZPPNQLWFPT-UHFFFAOYSA-N 457.534 -0.617 50 20 JBGD CN(CC(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1)C(=O)OC(C)(C)C 1779030656 GNCIQPUBBDOQOA-JOCHJYFZSA-N 476.534 -0.005 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1C[C@H](O)CN1C(=O)OC(C)(C)C)CCO2 1783933706 DUPRYUAYEDQXQN-HKARXFIJSA-N 497.593 -0.440 50 20 JBGD CCOC(=O)c1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)ccn1 1786984803 LELLHPRKGZMZPL-CUWPLCDZSA-N 481.314 -0.155 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)N3CCN(C)CC3)C[C@@H]21 1787507792 UPOPSJBMXNEKBS-CIAAACESSA-N 487.605 -0.264 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1cc(=O)nc2sccn12 1789136636 VNBNTRGZHMHTQX-ZVZYQTTQSA-N 482.327 -0.657 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)[C@H]1CC(c2ccccc2)=NN1 1790550065 WSRSWZIIOJOLOL-MHADKKCISA-N 476.342 -0.274 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1cnn(-c2cccnc2)c1 1794443135 FSPMELULIIIUBS-RMFSNUHRSA-N 461.287 -0.536 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C1\C(=O)Nc2ccccc21 1797658757 LJSJDZIPXDIWKL-LVSFQLNMSA-N 476.493 -0.076 50 20 JBGD C[C@@H](C(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)N1CCN(C)CC1 1807892356 ILMREQXTVYXJGA-AVCGJXAMSA-N 479.390 -0.283 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCC2(CCCN(C(=O)c3cc(=O)n4[nH]cnc4n3)C2)CC1 1809963766 UGQNJBDMPILPKX-UHFFFAOYSA-N 464.291 -0.744 50 20 JBGD O=C(O)c1cnncc1C(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1810796526 HGLWNAMFLWQHOR-OXQOHEQNSA-N 475.270 -0.117 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H](O)N2CCOCC2)CC1 1828924326 PTGVFODBZWCOJC-WMZHIEFXSA-N 474.562 -0.431 50 20 JBGD COC[C@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)[C@@H](N)CN)CCN2C(=O)OCc2ccccc2)C1 1829049671 ISKTYIOISOFIDK-NPPFBWRTSA-N 481.981 -0.022 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1cnoc1C1CC1)CCO2 1834612731 QWQUCBWAPRGQQR-JOCHJYFZSA-N 455.276 -0.384 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)c3ccc4nncn4c3)CC2)CC1)c1cccc(B(O)O)c1 1834800143 SHICPBVYAALOPU-UHFFFAOYSA-N 476.346 -0.092 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1)c1ccc2nncn2c1 1835584492 WPBJUIRLXBNFRG-UHFFFAOYSA-N 476.346 -0.092 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)c3[nH]cnc3-c3cccnc3)C2)C1 1835931206 IMEJBAKBRGLYEX-DEOSSOPVSA-N 491.313 -0.465 50 20 JBGD COc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)ccc1F 1835941055 FCNFCPBOIHYCIN-QHCPKHFHSA-N 472.278 -0.102 50 20 JBGD CC[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCN(C)CC3)CCO2)C1 1836676651 MWUFQEXLZPWZBS-VQIMIIECSA-N 461.401 -0.136 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc3cncn3c1)CCO2 1837121753 YVUGSIXPVNPAPM-QHCPKHFHSA-N 464.287 -0.602 50 20 JBGD COc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)c(O)c1 1838890286 OSVVUYAROJUGAI-QFIPXVFZSA-N 464.519 -0.156 50 20 JBGD CO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CN(C)NC(=O)NCc3ccccc3)CCO2)C1 1839054277 QWWRVXLXSCBNDS-JPYJTQIMSA-N 477.562 -0.176 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc3cccnc3nc1O)CCO2 1839513164 WFKFXQSIOFBTOJ-XMMPIXPASA-N 492.297 -0.601 50 20 JBGD C[C@@H](Oc1cccnc1)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1840454715 QGHQIZWVCFZIOX-VGSWGCGISA-N 463.535 -0.322 50 20 JBGD Cn1c(=O)c2c(ncn2CC(=O)N2CC3(CCCN3C(=O)[C@H](F)Br)C2)n(C)c1=O 1845216298 IEMCADWYAVSFTH-LBPRGKRZSA-N 471.287 -0.672 50 20 JBGD COC(=O)[C@@H](CC(=O)N1CCCC12CN(C(=O)c1cccc(B(O)O)c1)C2)NC(=O)OC(C)(C)C 1846304400 ICABWFGJUWITRF-QGZVFWFLSA-N 489.334 -0.360 50 20 JBGD Cc1nc([N+](=O)[O-])cn1CC(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 743607015 DMXSPPKPOSRGER-UHFFFAOYSA-N 480.503 -0.099 50 20 JBGD C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)NNC(=O)N[C@@H]3CCS(=O)(=O)C3)c2)C[C@@H](C)O1 919886589 VEUSPQFIKFWXKM-VNHYZAJKSA-N 474.561 -0.384 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@]2(CCN(C(=O)CNC(=O)c3cc(C)on3)C2)C1 1779123654 GQPDCBLJZVQYDF-IBUSPFOHSA-N 485.501 -0.323 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCNC(=O)c1ccc[nH]1)C2 1779371116 DZSLCMPOHMEQHH-NTKDMRAZSA-N 497.556 -0.039 50 20 JBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2)c1n[nH]cc1[N+](=O)[O-] 1779601326 YWMQTTYZUVIQRG-OXQOHEQNSA-N 457.252 -0.561 50 20 JBGD CN(CC(=O)N1CC[C@@]2(C1)CN(C(=O)Cn1ccncc1=O)CCO2)NC(=O)NCc1ccccc1 1780967885 AYWZVIGUVILTIW-XMMPIXPASA-N 497.556 -0.581 50 20 JBGD C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C(C)=N/NC(=O)c1ccc[nH]1)C2 1792488743 QBWREUOYYBAZMI-NWGUGSGESA-N 456.503 -0.432 50 20 JBGD CC(C)(C)OC(=O)N[C@H](CCN)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1 1796187265 UPSATYUMGUVTFS-FCGDIQPGSA-N 474.367 -0.140 50 20 JBGD CN(CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1)NC(=O)NCc1ccccc1 1796191719 RBJXSPANGACJHB-KOUNCHBCSA-N 493.373 -0.036 50 20 JBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc3c(c1)CCNCC3)C2 1801012557 AKXKQFPXCZDPCW-OPMZPASUSA-N 458.563 -0.654 50 20 JBGD O=C(NC[C@@H]1CCN(C(=O)CCN2C(=O)C=CC2=O)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807360919 DEDSXPSPSSUQKN-FDDCHVKYSA-N 476.298 -0.604 50 20 JBGD O=C(NC[C@H]1CCN(C(=O)CN2C(=O)C=CC2=O)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807364544 FVTIJROEEVVXQN-VGSWGCGISA-N 462.271 -0.994 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@H]1CCN(C(=O)c2cnc(O)nc2O)[C@@H]1c1cccnc1 1810301573 ABUDYUDWYVJMDJ-CXAGYDPISA-N 478.469 -0.085 50 20 JBGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1)[C@H]1CCCS1(=O)=O 1812495845 IYMGHNZMMHUSEV-SXLOBPIMSA-N 471.344 -0.342 50 20 JBGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1cc3n(n1)CCCNC3=O)CC2)c1ccc(B(O)O)cc1 1815344395 XHWWUHSGSZACNJ-CQSZACIVSA-N 494.342 -0.308 50 20 JBGD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1nc3ncccn3n1)CC2)c1cccc(B(O)O)c1 1815356760 POJATHVDEBXLFK-ZDUSSCGKSA-N 463.288 -0.200 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H](O)N2CCOCC2)CC1 1828968402 PZUOHUVNQPBDPD-UGKGYDQZSA-N 474.562 -0.431 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCc3ccoc3C1)CCO2 1830931745 UMHLSIKNBUVGBY-YADARESESA-N 468.315 -0.166 50 20 JBGD COC[C@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)c3cc(=O)n4[nH]nnc4n3)CC2)CC1 1834973307 PMDIWOHFBMVVRX-AWEZNQCLSA-N 466.930 -0.748 50 20 JBGD O=C(c1ccc2c[nH]nc2c1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835928746 XRLYXXFCSATEDE-HSZRJFAPSA-N 464.287 -0.374 50 20 JBGD CCOC(=O)N[C@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)CBr)C2)C1 1837202714 WRLMIEVGCKDTCV-OGHNNQOOSA-N 466.329 -0.462 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cnc4ccccc43)C2)C1 1837461594 ZDGVARVEJGMXIX-DEOSSOPVSA-N 493.524 -0.195 50 20 JBGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)CCO2)C1 1839210611 WDCBHMWNYIJDRA-VWKPWSFCSA-N 493.985 -0.028 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnn3cccc(F)c13)CCO2 1839620205 FLVDTENQSJDHED-QFIPXVFZSA-N 476.509 -0.084 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(-n4ccnc4)ccn3)C2)C1 1840185277 IOSATQFORCHWBS-HSZRJFAPSA-N 485.545 -0.290 50 20 JBGD CC(=O)N[C@H](Cc1cccc(F)c1)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1840856039 CHFQDVAANOXYKO-DXIQSLLYSA-N 485.940 -0.071 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)c2cccc(N3CCOCC3)n2)C1 1843527154 PDXGTJCORQISBH-UHFFFAOYSA-N 450.304 -0.271 50 20 JBGD Cc1cc(NC(=O)CN2CCN(C(=O)NNC(=O)c3csc(N4CCOCC4)n3)CC2)no1 10259373 UTVDJWGOPBCQIV-UHFFFAOYSA-N 478.535 -0.113 50 20 JBGD CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccccc1)C(=O)NNC(=O)c1ccc2c(c1)OCO2 14800529 FONBMXKQJGLSKB-HNNXBMFYSA-N 483.524 -0.042 50 20 JBGD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)NNC(=O)C(=O)NC2CC2)CC1 17806004 YQFJKZVZCXABFY-UHFFFAOYSA-N 453.477 -0.270 50 20 JBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)CN3C(=O)N[C@@](C)(C4CC4)C3=O)cc2)CC1 728213076 DNNMCKGFUMJGKZ-FQEVSTJZSA-N 464.548 -0.214 50 20 JBGD O=C(NNC(=O)N1CCN(C(=O)CN2CCCC2)CC1)c1csc(N2CCOCC2)n1 728715274 UEJNUGNLMAVJJC-UHFFFAOYSA-N 451.553 -0.426 50 20 JBGD CSCC[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 729277270 XQFZHZBBNNPPGN-ZYHUDNBSSA-N 470.570 -0.689 50 20 JBGD O=C(COC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)NNC(=O)c1cccc(Cl)c1 914657417 WGPNSFYGXGFTNF-JSGCOSHPSA-N 457.892 -0.320 50 20 JBGD Cc1cc2nnc(C(=O)NC[C@@]34CCCO[C@@H]3CCN(C(=O)c3cccc(B(O)O)c3)C4)c(C)n2n1 1778560386 FKINIDNAEHJVPC-NTKDMRAZSA-N 492.345 -0.138 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)c3cnc4c(c3)NC(=O)CS4)CCO2)C1 1779036563 AWZHEQPGFKEORA-QFIPXVFZSA-N 497.537 -0.118 50 20 JBGD C[C@@H](C(=O)N1CC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1)N1CSCSC1 1779144170 BAKSVGSWMIQOAT-MGPUTAFESA-N 465.406 -0.147 50 20 JBGD C[C@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnccc2C(=O)NN)C1)n1ccnn1 1779374200 KASFIQJUZGQLMI-SOIKWTOOSA-N 456.507 -0.335 50 20 JBGD COC[C@H](NC(C)=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C(C)=N/NC(=O)c1ccc[nH]1)C2 1779554482 KWMWTIGMBSGCKB-WDOWIDIQSA-N 490.561 -0.215 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)[C@@]3(NC(=O)OC(C)(C)C)CCOC3)C2)C1 1781311778 MQRXRHBHYZPZAW-DHIUTWEWSA-N 497.593 -0.127 50 20 JBGD C[C@](O)(CC(=O)O)CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2 1782205104 YMPZDYBGWFVNBR-ZPMCFJSWSA-N 462.308 -0.890 50 20 JBGD O=C(CSc1nc[nH]n1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2 1782479849 OWPIFZNGQRNDPR-OXQOHEQNSA-N 459.337 -0.596 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3(O)CCCCC3)C[C@@H]21)c1ccc(B(O)O)cc1 1786979587 BAIPVEMSJZMXNI-JBACZVJFSA-N 454.332 -0.342 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cncn1)C2 1793880867 JCYMYWDDERBENG-FQLMCAECSA-N 456.931 0.000 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(O)c([N+](=O)[O-])c1)C2)c1cccc(B(O)O)c1 1795739983 ZEEUOUBDDVKHQY-CCWDJLKJSA-N 455.232 -0.503 50 20 JBGD C[C@@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(=O)n2[nH]nnc2n1 1796107628 YFGBXZVQYMXBDP-XHSYRHOGSA-N 454.285 -0.953 50 20 JBGD COCCOCCOCCOCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](Cl)COC)C2 1799382654 DFEBKYQMBLCRKC-DMUMMCEESA-N 480.986 -0.084 50 20 JBGD O=C1CC[C@H](C(=O)N2CC[C@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)CN1 1807366073 SBGMTHUIEDPDAA-LVCYWYKZSA-N 450.304 -0.393 50 20 JBGD O=C(NC[C@H]1CCN(C(=O)CNC(=O)C(F)(F)F)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807375799 VMZKFRCFTRBNLA-QAPCUYQASA-N 478.236 -0.241 50 20 JBGD O=C(COc1ccc(O)nn1)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1812351186 QNHRHWSYKOUTHX-JTSKRJEESA-N 477.286 -0.344 50 20 JBGD CN1CCN(CC(=O)N[C@H]2CCc3nc(NC(=O)c4ccc(B(O)O)cc4)sc3C2)CC1 1815344070 GBHRHUVZGPUFCH-INIZCTEOSA-N 457.365 -0.704 50 20 JBGD NC[C@H](N)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@@H](O)CCl)C2)C1 1829045053 UJISMUVWFRBFKS-XGHQBKJUSA-N 467.954 -0.676 50 20 JBGD CC(C)(C)OC(=O)N[C@]1(C(=O)N2CCOC[C@]3(CN(C(=O)[C@@H](O)CCl)CCO3)C2)CCOC1 1830733497 NLNKTVFEGZERRL-ONGXBYRLSA-N 491.969 -0.274 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CC(=O)N(C3CCCC3)C1)CCO2 1832356956 JOLIUQYHNOQCET-KBMIEXCESA-N 499.373 -0.773 50 20 JBGD Cc1ccn(CC(=O)NC2CCN(C3CCN(C(=O)c4cccc(B(O)O)c4)CC3)CC2)n1 1833856863 KHRHCBJSBUMCMD-UHFFFAOYSA-N 453.352 -0.243 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)[C@H](F)Br)CC2)CC1)[C@@H](O)N1CCOCC1 1835766676 MSMPSHIEJKUUJY-MAUKXSAKSA-N 465.364 -0.101 50 20 JBGD Cc1noc(C)c1CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835927870 ZDXYCVHIPQBKBE-QFIPXVFZSA-N 457.292 -0.716 50 20 JBGD CCOc1cccc(C(=O)N2CCOC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)c1O 1835939058 CSUXDAYYSKTBEV-DEOSSOPVSA-N 484.314 -0.146 50 20 JBGD COc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)cc1 1835939356 NTLNQRZXAHTRLQ-HSZRJFAPSA-N 454.288 -0.241 50 20 JBGD C[C@@H](CS(C)(=O)=O)C(=O)N1CCC(OC2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1836874420 SQSSWAJLZMDOJS-INIZCTEOSA-N 480.392 -0.341 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)c1nnc(-c3ccccc3)o1)CCO2 1837535819 OHDCCFZWLMNLFA-DEOSSOPVSA-N 492.297 -0.200 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccncc1Cl)CCO2 1837885050 PFXABZOSJVWMJH-OAQYLSRUSA-N 459.695 -0.201 50 20 JBGD COc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)c([N+](=O)[O-])cc1O 1838601998 HRBVNWGAZHEGAL-HNAYVOBHSA-N 473.866 -0.021 50 20 JBGD O=C(NNS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@H]1COc2ccccc2O1 916108721 UYSAGHVBBUJGQE-GOSISDBHSA-N 483.524 -0.143 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](CO)NC(=O)OC(C)(C)C)CCO2 1783934161 APQZNWOWZUFGKN-BTYIYWSLSA-N 471.555 -0.925 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)[C@@H]1CCc2nc[nH]c2C1 1791526847 QQWLTYREJPWMDQ-JQZBISMTSA-N 452.320 -0.512 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(=O)n1O 1794358669 MWYTYSHYVDXVEU-GBQKICQVSA-N 456.459 -0.577 50 20 JBGD C[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)NC(=O)OC(C)(C)C 1796387045 AGMFDEKYJMLFQD-DFYYWFRZSA-N 475.351 -0.127 50 20 JBGD CN(CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nccn1C)C2)NC(=O)NCc1ccccc1 1799094816 MCUWIUDMTPDIEE-OPVJXMOQSA-N 469.546 -0.031 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1813071373 ORWBHECZKBPTEN-XMSQKQJNSA-N 467.335 -0.546 50 20 JBGD C[C@@H](Cn1cncn1)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cccc(B(O)O)c1)CC2 1820064838 BDLQCCXYXHCMDH-WFASDCNBSA-N 454.321 -0.024 50 20 JBGD Cn1ncc(Br)c1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830728412 SZCSVINIUKZXHD-BLLLJJGKSA-N 465.732 -0.148 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)COc3cccnn3)CC2)CC1)c1ccc(B(O)O)cc1 1834798953 IWBQMVIXKKOIOP-UHFFFAOYSA-N 467.335 -0.579 50 20 JBGD N[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1)c1cccc(Cl)c1 1835731079 SQZQECXEYHHOIX-OFNKIYASSA-N 487.749 -0.210 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCC(N2CCC(NC(=O)c3cccnn3)CC2)CC1 1835894941 ULYLMDDCZCVWRS-UHFFFAOYSA-N 452.519 -0.026 50 20 JBGD COc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)s1 1835935057 DFAKMTDWOASWTK-NRFANRHFSA-N 460.317 -0.180 50 20 JBGD CO[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1)c1ccccc1 1835935859 VEAGQFUDIMEDFJ-URXFXBBRSA-N 468.315 -0.176 50 20 JBGD Cc1nc(C(=O)N2CCC(OC3CCN(C(=O)c4cccc(B(O)O)c4)CC3)CC2)c(=O)[nH]c1C 1837265544 QYPIJCXDIATMCB-UHFFFAOYSA-N 482.346 -0.007 50 20 JBGD COc1c(Cl)ccnc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1838726765 GOOIUEZMDFOMHG-JOCHJYFZSA-N 489.721 -0.193 50 20 JBGD CCN1CCC(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)CC1 1840928989 ULMYKJYMFQHWGX-QHCPKHFHSA-N 474.562 -0.513 50 20 JBGD O=C(NNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Br)C(=O)NC1CC1 744463798 PJWYGPREILOIHE-UHFFFAOYSA-N 475.321 -0.490 50 20 JBGD CCCn1nc(C(=O)NNC(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)c2ccccc2c1=O 746308349 IVRQAIBGLDWCNR-INIZCTEOSA-N 470.530 -0.252 50 20 JBGD O=C(CCNS(=O)(=O)c1cccc(Br)c1)NNC(=O)[C@@H]1CCS(=O)(=O)C1 788024026 QAYWZOZXAFJJGD-SNVBAGLBSA-N 468.351 -0.300 50 20 JBGD COC(=O)c1c[nH]nc1S(=O)(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 912522435 SZZFUVDXWKTMTC-UHFFFAOYSA-N 471.517 -0.006 50 20 JBGD COc1cc2c(cc1OC)[C@@H](CC(=O)NNC(=O)CCNS(C)(=O)=O)N(S(C)(=O)=O)CC2 920436482 OJVOGMBMNSOUJT-CQSZACIVSA-N 492.576 -0.961 50 20 JBGD O=C(NCCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2)c1ccccc1 1785327748 RSDVUNHKEQVTQA-XMMPIXPASA-N 465.315 -0.370 50 20 JBGD COc1ccccc1C(=O)N1CC(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](O)CCl)C3)C1 1792812616 MFFWYVOODBNPGD-HIRMHNASSA-N 465.934 -0.044 50 20 JBGD CC(C)(C)OC(=O)N1CC[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](O)CCl)[C@@H](O)C1 1792972414 OJSAVGCNHGGBEE-FQMQPWHVSA-N 475.970 -0.206 50 20 JBGD COc1cccnc1CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795733004 WGWSOEZRFBIUGA-FAQVEIGNSA-N 453.304 -0.394 50 20 JBGD COC(=O)N[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1)c1ccccc1 1795737669 IFXOPKJSKPBLEB-KOUHRCEDSA-N 481.314 -0.333 50 20 JBGD COC(=O)[C@H]1CC=CC[C@@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795740918 PWMKDYKHFIXQHP-DLRXZHIHSA-N 456.304 -0.675 50 20 JBGD CN(CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1C=CCN1)NC(=O)NCc1ccccc1 1796313169 OUJPJRHGTXGPAO-JTJHWIPRSA-N 456.547 -0.550 50 20 JBGD CCS(=O)(=O)N[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C(C)=N/NC(=O)c1ccc[nH]1 1796439710 YBTSHANKYMKSRZ-LIPWNHDFSA-N 482.563 -0.962 50 20 JBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1ON=C(c2ccccc2)O1 1797643223 OANIRFHSPNKVDF-LIWAJOSJSA-N 459.503 -0.316 50 20 JBGD Cn1c(=O)c2c(ncn2CC(=O)N2CCCC3(CCN(C(=O)[C@@H](O)CCl)CC3)C2)n(C)c1=O 1806899993 XSXHFZFEZXMGBS-AWEZNQCLSA-N 480.953 -0.735 50 20 JBGD O=C(NC[C@@H]1CCN(C(=O)[C@H]2CCCS2(=O)=O)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807365084 IPKDBPCBDPJSHA-DFQSSKMNSA-N 471.344 -0.342 50 20 JBGD CC(=O)N1CCN(CC(=O)N[C@H]2CCc3nc(NC(=O)c4ccc(B(O)O)cc4)sc3C2)CC1 1815344140 KGVCLTUYOBWZON-KRWDZBQOSA-N 485.375 -0.787 50 20 JBGD COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)cc1C 1832089423 UDRATGQOPWTNKN-RUZDIDTESA-N 482.342 -0.004 50 20 JBGD C[C@H](Br)C(=O)N1CCC(N2CCC(NC(=O)C[C@H]3NC(=O)NC3=O)CC2)CC1 1833765401 WENGUCAPRRKSGV-SMDDNHRTSA-N 458.357 -0.061 50 20 JBGD Cc1nc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)c(C)s1 1835934995 BGZISZYEZDMRKS-JOCHJYFZSA-N 473.360 -0.248 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)c3cc(-c4ccco4)no3)C2)C1 1835935471 GSRJDDJBDFCEES-HSZRJFAPSA-N 481.270 -0.002 50 20 JBGD O=C(c1ccc2c(c1)OCO2)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835936874 GZZZBVPWHNMNLL-HSZRJFAPSA-N 468.271 -0.521 50 20 JBGD O=C(c1n[nH]c2c1CS(=O)(=O)C2)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1836259122 CKVUZWYHPJENMA-BBRMVZONSA-N 495.327 -0.401 50 20 JBGD Cn1ncc2c(C(=O)N3CCOC[C@@]4(CN(C(=O)c5cnccc5C(=O)NN)CCO4)C3)cccc21 1837458809 DMPKTBSGTQXTIB-DEOSSOPVSA-N 493.524 -0.044 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCC(OC2CCN(C(=O)[C@@H]3CCNC(=O)C3)CC2)CC1 1838395515 YFCOFEZHNNTLHM-OAHLLOKOSA-N 472.546 -0.177 50 20 JBGD O=C(CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1)Nc1ccc(F)cc1 1839029605 VGRFSMYZEZZLNT-XMMPIXPASA-N 499.304 -0.396 50 20 JBGD CC(C)(C)OC(=O)N[C@]1(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)CCOC1 1839191288 CLIBXUIZDMHRGB-ONGXBYRLSA-N 491.969 -0.274 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)c1cc(F)cc([N+](=O)[O-])c1)CCO2 1839352949 AKQJGRPJBGGJAW-QFIPXVFZSA-N 487.249 -0.203 50 20 JBGD CC[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCN(C(C)=O)CC3)C2)C1 1839965295 TVCMJYISKCGPCF-XLIONFOSSA-N 489.411 -0.220 50 20 JBGD CCN1CCC(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)CC1 1840927867 CNUDHNROIVFEMA-QHCPKHFHSA-N 459.352 -0.832 50 20 JBGD CN[C@@H](CC(=O)N1CC2(CCCN2C(=O)CN(C)NC(=O)NCc2ccccc2)C1)C(=O)O 1845038761 QQBOFVCALXBXCG-KRWDZBQOSA-N 460.535 -0.401 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CC2(CCCN2C(=O)CN(C)C(=O)C(=O)O)C1 1845810051 YIGYENJTNIDAGG-UHFFFAOYSA-N 462.415 -0.120 50 20 JBGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)NCCS(=O)(=O)N2CCOCC2)c1 748111889 QKXLGGQTQDCLGT-UHFFFAOYSA-N 491.592 -0.677 50 20 JBGD COc1cc2c(cc1OC)[C@H](CC(=O)NNS(=O)(=O)c1cn(C)cn1)N(S(C)(=O)=O)CC2 751262782 GJVZDXIUPOLUEE-AWEZNQCLSA-N 487.560 -0.304 50 20 JBGD COc1ccc(CCN2C[C@@H](C(=O)NNC(=O)N[C@H]3CCS(=O)(=O)C3)CC2=O)cc1OC 919885555 LSEYILLUIPLYHL-GJZGRUSLSA-N 468.532 -0.388 50 20 JBGD C[C@H](NC(=O)c1ccccn1)C(=O)N1CCO[C@@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783937086 OPXAYIPOFXQDBL-KSFYIVLOSA-N 460.535 -0.597 50 20 JBGD Cc1nc(O)c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)nc1C 1785572693 BPHROIJHGBREHX-SZMVWBNQSA-N 454.292 -0.614 50 20 JBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1)c1cc2n(n1)CCCNC2=O 1796188946 FLTUYGUHPYGSFV-BJWYYQGGSA-N 451.292 -0.738 50 20 JBGD COc1cnc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C(C)=N/NC(=O)c2ccc[nH]2)cn1 1796440852 CATWVDNKTBDVCC-FXOZFUDCSA-N 455.475 -0.178 50 20 JBGD CS(=O)(=O)N1CCC(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(B(O)O)cc2)C3)CC1 1797705937 RRCWVAVMWKBCEJ-REPLKXPHSA-N 463.365 -0.710 50 20 JBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3c(c1)OCO3)C2 1797750571 IWLSHQKBIHMQPK-HBCWATKFSA-N 453.455 -0.069 50 20 JBGD CN(CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(=O)N(C)C)C2)NC(=O)NCc1ccccc1 1799095008 PQMJPKDWBVGCNY-IZZQQSIFSA-N 460.535 -0.990 50 20 JBGD COc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)ccc1[N+](=O)[O-] 1801837747 MLHITWIHXARGNT-CWPLJXCYSA-N 469.259 -0.200 50 20 JBGD O=C(NC[C@@H]1CCN(C(=O)c2cc3n(n2)CCNC3=O)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807361417 AKWVPRUTZFTINI-LAUBAEHRSA-N 488.313 -0.665 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@H](CNC(=O)CCc2nc(N)n[nH]2)[C@H]1c1cccnc1 1810149825 BUFUECHJPMQQEJ-IFXJQAMLSA-N 478.517 -0.267 50 20 JBGD CCS(=O)(=O)N[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(B(O)O)c2)CC1 1824459614 DQISLLQYDDVLAE-UZLBHIALSA-N 479.408 -0.073 50 20 JBGD CCOC(=O)N[C@H](O)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cnccc2C(=O)NN)CC1 1828761733 OHLPVJSRKITQEZ-IEBWSBKVSA-N 476.534 -0.017 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCC(=O)N1CCCC1)CCO2 1832425111 DDOVPDYLNQNYQA-JOCHJYFZSA-N 467.567 -0.782 50 20 JBGD O=C(c1ccc(-n2cnnc2)cc1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835929129 BCGNQYHQOCDLQH-DEOSSOPVSA-N 491.313 -0.669 50 20 JBGD N#CCc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)cc1 1835932254 WRQPWHLGYCLFNN-DEOSSOPVSA-N 463.299 -0.184 50 20 JBGD O=C(Cc1cnc2ccccn12)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835934295 UJLXMXNTKBHLLG-DEOSSOPVSA-N 478.314 -0.673 50 20 JBGD O=C(CS[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1837506468 PDKOXIDLWXKIIF-IRLDBZIGSA-N 478.376 -0.304 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCC(OC2CCN(C(=O)c3nccnc3C(N)=O)CC2)CC1 1838509561 HOXPGGUZKUDURN-UHFFFAOYSA-N 475.550 -0.439 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)n1ccnn1)CCO2 1839708301 PUSXNCJCHSTJFD-NGONFYQLSA-N 472.506 -0.571 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(N)=O)CCO2)C1 1839861890 MODJUKNAVXRENS-VBKZILBWSA-N 476.958 -0.160 50 20 JBGD Cn1c(=O)c2c(ncn2CC(=O)N2CCCC23CN(C(=O)[C@](C)(Cl)CCl)C3)n(C)c1=O 1841984960 GHRCGDWEEAXFIQ-GOSISDBHSA-N 471.345 -0.127 50 20 JBGD CN[C@H](CC(=O)N1CC2(CCCN2C(=O)CN(C)NC(=O)NCc2ccccc2)C1)C(=O)O 1845038762 QQBOFVCALXBXCG-QGZVFWFLSA-N 460.535 -0.401 50 20 JBGD COc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)Cn3ccc(=O)[nH]c3=O)c2)cc1 17396708 NBSVADBAUBUIMA-UHFFFAOYSA-N 473.467 -0.193 50 20 JBGD CCn1cnc2c1c(=O)n(CC(=O)NNC(=O)CNC(=O)C1CC1)c(=O)n2Cc1ccccc1 918015892 AUIYETRXKLQHDH-UHFFFAOYSA-N 467.486 -0.899 50 20 JBGD CCS(=O)(=O)N1CCC[C@H](C(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)C1 918552180 OSTQQBHFMBYPTB-HNNXBMFYSA-N 460.578 -0.175 50 20 JBGD CCC(=O)N[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnccc2C(=O)NN)C1 1779371375 UOYCEUGVVFOSPC-UZSYQUHHSA-N 460.535 -0.273 50 20 JBGD CC(=O)N1CCN(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CCC(=O)NN(C)C)C2)CC1 1782215206 YJGQOXKVWQIPOP-AUSIDOKSSA-N 480.610 -0.963 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CSc2nc[nH]n2)C1 1782482772 NVZAFMHNXVQHLW-AUUYWEPGSA-N 453.569 -0.216 50 20 JBGD C[C@@H]1Oc2ccc(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)c5cccc(B(O)O)c5)C[C@@H]43)cc2NC1=O 1789260284 HXAIEBRPMXKIIM-DHKPLTOSSA-N 493.325 -0.007 50 20 JBGD C[S@](=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2 1792794273 SVVOJJCOUQXQCM-WNLPPHIUSA-N 496.026 -0.162 50 20 JBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CCc2nc(O)nc(O)c2C1 1794385308 WGHVCWJGVJLHEZ-FQUUOJAGSA-N 481.513 -0.057 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1n[nH]c2cccc(F)c12 1800075917 NKOTWLBRYPGLFE-HBCWATKFSA-N 452.251 -0.101 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2)[C@@H]1[C@@H](O)CCN1C(=O)OCc1ccccc1 1800823081 UWKXHNKRCCCNMK-XSEPRYCASA-N 495.960 -0.052 50 20 JBGD CN1CCN(CCC(=O)NC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)CC1 1806910479 DOZJPUPNWCRZTQ-XUZZJYLKSA-N 479.390 -0.282 50 20 JBGD CCOC(=O)N[C@H](O)C(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1810097740 MFAFTUGUJKSXPW-IMFGXOCKSA-N 470.291 -0.855 50 20 JBGD CC(=O)N[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1810305933 QOZTYLGSMHKSTQ-ACWOFJMJSA-N 453.503 -0.076 50 20 JBGD Cc1cn(CC(=O)NC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)c(=O)nc1O 1814038935 IOTHFSKDHGQDCK-GHTZIAJQSA-N 491.313 -0.648 50 20 JBGD COc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1830232287 XIGGINCDYKJYOT-QHCPKHFHSA-N 478.546 -0.097 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)CCc3cnc[nH]3)CC2)CC1)c1cccc(B(O)O)c1 1834800047 RFMBTFFPFYWCBQ-UHFFFAOYSA-N 453.352 -0.093 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC1CCN(C2CCN(C(=O)c3ccnnc3O)CC2)CC1 1835738181 WOWFVJNPOHOLOK-UHFFFAOYSA-N 468.518 -0.320 50 20 JBGD C[C@](Cl)(CCl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(=O)n4[nH]cnc4n3)CCO2)C1 1835924179 OTRKHKOQCUDRFM-ROUUACIJSA-N 473.317 -0.276 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)c3ccc4cccnc4n3)C2)C1 1835936971 MMIBPZXMXJNBQD-XMMPIXPASA-N 476.298 -0.307 50 20 JBGD C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835939629 CCFVOJCCXMISBI-WAIKUNEKSA-N 491.350 -0.650 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCc4ccccc4O3)C2)C1 1835940202 YZKBOHWTDRCRIV-DHLKQENFSA-N 480.326 -0.170 50 20 JBGD Cc1nscc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837456938 QFPAKGAZLUUXGB-FQEVSTJZSA-N 460.516 -0.166 50 20 JBGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)n1nc(C)ccc1=O)CCO2 1837659228 VWGVCBCVKIODID-KKSFZXQISA-N 470.954 -0.003 50 20 JBGD CCCC(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C2)C1 1837673481 DBXICFHFTAKHFZ-AEOMXWHFSA-N 490.561 -0.118 50 20 JBGD CCc1cnc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)s1 1837720307 OBMNSFQOEYOVLO-NRFANRHFSA-N 459.333 -0.231 50 20 JBGD CCc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)n(C)n1 1838043118 FNPDPKQRGDKQAZ-JOCHJYFZSA-N 471.518 -0.635 50 20 JBGD CCNC(=S)NCC(=O)N1CCC(OC2CCN(C(=O)c3cnccc3C(=O)NN)CC2)CC1 1838394508 DYHOFTCQEZTOBY-UHFFFAOYSA-N 491.618 -0.219 50 20 JBGD CN(CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3C[C@@H](O)C3)C2)C1)NC(=O)NCc1ccccc1 1839054023 CFJFMAUBJQUWCV-JXALWOEJSA-N 489.573 -0.440 50 20 JBGD O=C(Cn1cccc([N+](=O)[O-])c1=O)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1839718566 BLIGLLYHUANDAT-WMLDXEAASA-N 491.270 -0.097 50 20 JBGD Cc1nnc(CC(=O)N2CCOC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)s1 1840183918 HWHTXHJLZQFVRJ-IBGZPJMESA-N 454.553 -0.782 50 20 JBGD CC(C)NC(=O)OC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840185671 UXFNUJFRHUTJQE-JOCHJYFZSA-N 485.582 -0.271 50 20 JBGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)c1 29334605 WYBSDJLNCHHDJD-UHFFFAOYSA-N 488.526 -0.263 50 20 JBGD C[C@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 728509500 GWYZSGLCRVZPHO-LBPRGKRZSA-N 468.579 -0.892 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(C1)CN(C(=O)c1[nH]nc3ncccc13)CCO2 1779030203 JFEBFWLWFJUVAL-OAQYLSRUSA-N 450.459 -0.286 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1CC(c3ccccc3)=NN1)CCO2 1779037063 MBYSJEDABPIGFM-YKSBVNFPSA-N 477.525 -0.105 50 20 JBGD C[C@@H](NNc1ccccc1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1783551984 BLXXKUNDUFRZCR-QQOZLPODSA-N 466.347 -0.035 50 20 JBGD C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1)N1C[C@H]2C[C@@H]2C1 1788611391 ZFEICDHPGLMTTQ-CRODYANQSA-N 456.547 -0.381 50 20 JBGD Cc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](O)CCl)C3)n(-c2cccc(=O)n2C)n1 1795933284 LLRSVPPBGKKBAR-QHHYFVSCSA-N 463.922 -0.318 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc(O)nc1O 1796345034 JKWPARXFSNBDCD-TVAYQMQISA-N 457.447 -0.775 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(B(O)O)cc1)C2 1796892347 XCYIMQAKTOSDQD-ZHPMUERVSA-N 451.292 -0.248 50 20 JBGD CCC(=O)N[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1803431734 WMWRGSXYVBLTDX-FPDPHYFHSA-N 452.320 -0.004 50 20 JBGD CN[C@H](CC(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1)C(=O)O 1807361623 BSWAKPGJYZAPLP-POAQFYNOSA-N 454.292 -0.856 50 20 JBGD O=C(O)c1cnncc1C(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1810796524 HGLWNAMFLWQHOR-JXFKEZNVSA-N 475.270 -0.117 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)CN(C)C(=O)C(=O)O)[C@@H]1c1cccnc1 1812394170 ZGRQJEGNSMYTFT-BEFAXECRSA-N 462.507 -0.997 50 20 JBGD CC(=O)N1CCN(CC(=O)Nc2cc([C@@H]3CCCCN3C(=O)CCC(=O)NN(C)C)[nH]n2)CC1 1818967238 OLMWLWUFOXRPSE-SFHVURJKSA-N 476.582 -0.061 50 20 JBGD NNC(=O)c1ccncc1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H]1CCCS1(=O)=O)CC2 1819800899 USZFGSCZFDJCLP-BMIGLBTASA-N 478.556 -0.055 50 20 JBGD C[C@H](NNc1ccccc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1829809445 VVMYHIUXGQUWNO-XDHUDOTRSA-N 497.556 -0.240 50 20 JBGD COc1cc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)ccn1 1832594832 RBDJVUPIDKSICG-DEOSSOPVSA-N 483.330 -0.527 50 20 JBGD Cc1nc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)ccc1F 1833462891 QRFBKJKUYFFHCG-QFIPXVFZSA-N 457.267 -0.407 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)[C@@H](O)c3ccco3)CC2)CC1)c1ccc(B(O)O)cc1 1834798139 WFFNOTQXRFNQPI-NRFANRHFSA-N 455.320 -0.122 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cccn3)CCO2)C1 1836166848 BNQJUPAESZMXKG-KCOUNZPASA-N 457.491 -0.527 50 20 JBGD Cn1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)c2cccnc21 1837189598 WXVYMGGYNCDIOT-XMMPIXPASA-N 493.524 -0.044 50 20 JBGD C[C@@H](Nc1ccccn1)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1837743632 PJNAKOIOQYEJTE-WAIKUNEKSA-N 483.529 -0.349 50 20 JBGD C[C@](O)(CC(=O)O)CC(=O)N1CCC(OC2CCN(C(=O)c3cnccc3C(=O)NN)CC2)CC1 1838395480 WBZSADXJVDOSIN-HSZRJFAPSA-N 491.545 -0.087 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc3cccnc3nc1O)CCO2 1839514139 ARZRFRPTCZLGDH-QHCPKHFHSA-N 486.529 -0.222 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4ccccn4n3)C2)C1 1840184603 WUGNCIXCROMTKV-JOCHJYFZSA-N 458.519 -0.223 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1 1840915569 NWQDVEWUIYITIO-PTAUBWNISA-N 480.921 -0.254 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)c2ccc(N3CCOCC3)cn2)C1 1842265539 GZTYZXFPOKHVLW-UHFFFAOYSA-N 450.304 -0.271 50 20 JBGD O=C(NNC(=O)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1)c1ccc(-n2cnnn2)cc1 109204605 SQJOYKFBJBKSDT-UHFFFAOYSA-N 462.517 -0.197 50 20 JBGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)NCCC(=O)N2CCOCC2)c1 916251407 MPVRJEMBLJKPKV-UHFFFAOYSA-N 455.537 -0.090 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](O)N1CCOCC1)C2 1778090925 HSDOJEJCZAMQSC-XCUGBIRQSA-N 490.561 -0.715 50 20 JBGD CCNC(=O)N[C@@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2 1779317024 MAHJDIYXXOOOOP-QXATTWAWSA-N 460.340 -0.799 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)c3cc(-c4ccncc4)[nH]n3)C2)C1 1779591712 XDSDULABWHXYSV-QHCPKHFHSA-N 461.287 -0.091 50 20 JBGD CN(CC(=O)N1CC[C@@]2(C1)CN(C(=O)Cn1ccnn1)CCO2)NC(=O)NCc1ccccc1 1780969651 ILCOIMFFKXKSFS-JOCHJYFZSA-N 470.534 -0.546 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CN2CCCCC2=O)C1 1782100282 LIBGWDJNSRZJNA-WZONZLPQSA-N 472.546 -0.175 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nn[nH]c3C(F)(F)F)C[C@@H]21)c1cccc(B(O)O)c1 1786984921 YRIHGSFQHBXUNT-UBHSHLNASA-N 467.213 -0.590 50 20 JBGD C[C@H](Oc1cccnc1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786986583 MOMGNFQMXOBVHE-OQRYQMPQSA-N 453.304 -0.178 50 20 JBGD CCS(=O)(=O)N[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnccc1C(=O)NN)C2 1793533297 ABVZSKCLPKULMQ-YIYPIFLZSA-N 452.537 -0.735 50 20 JBGD CN1Cc2ccccc2C[C@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797748610 MDDXQQUSKARUFX-UDKICSLYSA-N 478.553 -0.055 50 20 JBGD CC(C)NC(=O)OC(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2 1799130614 KMKWUCWSEZHMQH-JLVBRIDZSA-N 455.556 -0.138 50 20 JBGD CN1CCN(CC(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cnccc3C(=O)NN)[nH]n2)CC1 1818912851 JRVRIXDRZQVGGB-SFHVURJKSA-N 469.550 -0.039 50 20 JBGD Cc1nc(C(=O)N2CCC(N3CCC(NC(=O)c4ccc(B(O)O)cc4)CC3)CC2)c(=O)[nH]c1C 1834797496 PAPIMMJFFXLBDV-UHFFFAOYSA-N 481.362 -0.434 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)[C@H]3CC[C@H]4CCC(=O)N4C3)CC2)CC1)c1cccc(B(O)O)c1 1834801338 YVCBBHSQHZCJJE-CVDCTZTESA-N 496.417 -0.047 50 20 JBGD CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCOC[C@@]2(CN(C(=O)CCBr)CCO2)C1 1834826622 SFPJSEONRKDQIU-VQIMIIECSA-N 486.367 -0.302 50 20 JBGD Cc1cn(CC(=O)N2CCC(OC3CCN(C(=O)[C@@H](O)CCl)CC3)CC2)c(=O)nc1O 1836720468 UYXFYPOZVOWCHQ-INIZCTEOSA-N 456.927 -0.144 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc4c(c3)CCO4)C2)C1 1837461389 VIMMGZAKTOWWEJ-VWLOTQADSA-N 495.536 -0.067 50 20 JBGD COc1cc(OC)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)c1 1838933288 HPVYOZBBXSOOQX-XMMPIXPASA-N 484.314 -0.233 50 20 JBGD CCNC(=S)NCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)Br)C2)C1 1839655536 DPCULHFROCMBHM-MLGOLLRUSA-N 451.387 -0.290 50 20 JBGD COc1cccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)c1C 1840069866 KUQLUPKOCWVBMG-RUZDIDTESA-N 482.342 -0.004 50 20 JBGD O=C(CNC1=NS(=O)(=O)c2ccccc21)NNC(=O)c1csc(N2CCOCC2)n1 12800677 ARVRLGIMWYJKAY-UHFFFAOYSA-N 450.502 -0.521 50 20 JBGD Cn1nc(Br)c2c(=O)n(CC(=O)NNC(=O)[C@H]3COc4ccccc4O3)cnc21 727063025 FMXJAZHOVZVULW-LLVKDONJSA-N 463.248 -0.120 50 20 JBGD Cn1nc(SCC(=O)NN=Cc2c(N3CCCCC3)nc3ccccn3c2=O)c(=O)n(C)c1=O 730570290 FTISUHMKHGWIMG-UHFFFAOYSA-N 484.542 -0.280 50 20 JBGD CC[C@@]1(C)NC(=O)N(CC(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1=O 863949962 DBIGOEWOMDAUGA-OAQYLSRUSA-N 495.558 -0.492 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)c3ccc(OCCCO)cc3)C2)C1 1780123210 VPOFXKLVPDERFY-DEOSSOPVSA-N 468.315 -0.115 50 20 JBGD O=C(Cc1ccc2ncnn2c1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2 1780548444 KFPJSAPOOXUODM-HYBUGGRVSA-N 477.330 -0.221 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3c[nH]c(=O)cn3)C[C@@H]21 1787508826 WBNICDOEPXMJNY-XEDDXIFXSA-N 455.475 -0.503 50 20 JBGD C[C@H](Cn1cccn1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1 1788611648 OFQJWTKWXJJHOS-PDWMJMLSSA-N 455.519 -0.189 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(F)cc([N+](=O)[O-])c1)C2)c1ccc(B(O)O)cc1 1795736275 UVNXOBLZMYFPSF-CCWDJLKJSA-N 457.223 -0.069 50 20 JBGD CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)c3ccc(B(O)O)cc3)[C@@H]2C1 1795736914 QFBNSWQUFYMRIZ-MHDMWBPOSA-N 499.373 -0.318 50 20 JBGD CC1=NN(c2ccc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)c3cccc(B(O)O)c3)cc2)C(=O)C1 1795739974 XUNKNFJZHZQDML-BBIADKPPSA-N 490.325 -0.004 50 20 JBGD Cc1ccc(=O)n(C(C)(C)C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(B(O)O)cc2)n1 1796188724 LWOVBDNFAOYGKY-REPLKXPHSA-N 452.320 -0.081 50 20 JBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/C(=O)NCc1ccco1)C2 1797751851 VNNVAZUAGLBCHT-FPLQNCHWSA-N 482.497 -0.646 50 20 JBGD CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2 1802084424 IOXOYEJVMAVWCB-XLWJZTARSA-N 477.942 -0.368 50 20 JBGD O=C(NC[C@H]1CCN(C(=O)c2nc3ncccn3n2)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807375128 MSIKJSPCBGHBKS-IEBWSBKVSA-N 471.286 -0.168 50 20 JBGD CC[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1)N(CC)CC 1831663485 IFGXBGQVENEJEX-NFBKMPQASA-N 461.368 -0.443 50 20 JBGD O=C(CN1CCc2sccc2C1)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1832584644 IYPYYXVMBJOFKQ-XMMPIXPASA-N 499.398 -0.444 50 20 JBGD CCOc1cnc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)cn1 1833433443 AJTPNLWPUXEZSZ-QFIPXVFZSA-N 485.501 -0.742 50 20 JBGD COc1ncc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)cc1C 1834577128 ODAVRUKUMWHDKX-QHCPKHFHSA-N 469.303 -0.538 50 20 JBGD O=C(/C=C\C(=O)NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1)NC1CC1 1835659393 QXRWYKGIRZCIEE-FPLPWBNLSA-N 468.363 -0.614 50 20 JBGD O=C(COC1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835926241 IWOXIIYNPQYEMI-QHCPKHFHSA-N 460.336 -0.214 50 20 JBGD O=C(c1cc(O)c(O)c(Cl)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835931858 DYWJGWCAUGTXPA-JOCHJYFZSA-N 490.705 -0.185 50 20 JBGD N#Cc1ccc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)cc1 1835933549 BKFNORUCOUPYPQ-VWLOTQADSA-N 477.326 -0.059 50 20 JBGD C[C@@H](Cc1ccccn1)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835933638 FBGHUMRIXYTFTJ-MHECFPHRSA-N 467.331 -0.290 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)c3cc(-c4ccccn4)[nH]n3)C2)C1 1835938016 GKUYDWRJTHIGBB-XMMPIXPASA-N 491.313 -0.465 50 20 JBGD C[C@H](Cc1ccccn1)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835939720 FRHPXXYRENHXAH-KOSHJBKYSA-N 467.331 -0.290 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1nccc3nc[nH]c13)CCO2 1836457313 OHRZLNWIOGNURA-OAQYLSRUSA-N 459.507 -0.599 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccn3cncc3c1)CCO2 1837081351 AGDRHTWHFVZEBI-QFIPXVFZSA-N 458.519 -0.223 50 20 JBGD CN1CCCC[C@@H]1C(=O)N1CCOC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837456837 QPUBYAXDUDJKHL-GCJKJVERSA-N 460.535 -0.761 50 20 JBGD Cc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)nn1C(F)F 1837460163 WOGHWLBQGGVWAP-OAQYLSRUSA-N 493.471 -0.031 50 20 JBGD COc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)ccn1 1837977933 SXRCRXKLRZWBLT-QFIPXVFZSA-N 470.486 -0.528 50 20 JBGD CN(CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ncon1)CCO2)NC(=O)NCc1ccccc1 1838319850 QFEIAHINUMRFTI-QFIPXVFZSA-N 487.517 -0.514 50 20 JBGD CNCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CN(C)NC(=O)NCc1ccccc1)CCO2 1839054066 FLVGJIODWPHMBE-DEOSSOPVSA-N 490.605 -0.211 50 20 JBGD CC(=O)N1CCN(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@](C)(Cl)CCl)CCO3)CC1 1839152629 GMVYNDRLQHYHRR-WOJBJXKFSA-N 479.405 -0.157 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc4nccn34)C2)C1 1840185586 UKMHCUZSFYNRBR-QFIPXVFZSA-N 458.519 -0.223 50 20 JBGD CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NNC(=O)Cn3nc(C)cc3C)c2)CC1 15440326 QLJNPDYARVTOHI-UHFFFAOYSA-N 462.532 -0.186 50 20 JBGD O=C(COCC(=O)NNC(=O)[C@H]1Cc2ccccc2O1)NNC(=O)[C@@H]1Cc2ccccc2O1 729842611 IHHGCZYJKZKOJK-HDICACEKSA-N 454.439 -0.695 50 20 JBGD COc1cc(C(=O)NNC(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)cc(OC)c1OC 746308340 GVXAZXIGZRVJIX-OAHLLOKOSA-N 450.492 -0.346 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@@]2(CCN(C(=O)CCc3nc(N)n[nH]3)C2)C1 1778849068 JLDYMTUSMHOWHM-FINLKQIMSA-N 457.495 -0.717 50 20 JBGD COC(=O)C12CC(C(=O)N3CCO[C@]4(CCN(C(=O)c5cnccc5C(=O)NN)C4)C3)(C1)C2 1779033852 FYDRTFDRQVYQKY-HRTMPFAESA-N 457.487 -0.528 50 20 JBGD COc1nccnc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnccc2C(=O)NN)C1 1779371005 FURYFBJGIKGZEV-OPAMFIHVSA-N 469.502 -0.075 50 20 JBGD O=C(CCc1ccc(O)nn1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2 1781466535 JTBNLXBWECIDSQ-AUSIDOKSSA-N 468.319 -0.378 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccccc3C(N)=O)C2)C1 1781757863 KOLOOAFFFKNPJZ-JOCHJYFZSA-N 452.471 -0.459 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@@]2(CCN(C(=O)C[C@](C)(O)CC(=O)O)C2)C1 1783926560 NISUTHYAVICIMG-DDQAZAJHSA-N 463.491 -0.434 50 20 JBGD CC(=O)N[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1)c1ccc(F)cc1 1786981761 KHGHBQBQQVDQQN-FDTGPBLFSA-N 497.332 -0.024 50 20 JBGD CN(CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3nccn3)C[C@@H]21)NC(=O)NCc1ccccc1 1789726780 UVRDRCWYKDEHOC-UFYCRDLUSA-N 484.561 -0.396 50 20 JBGD O=C(/C=C/C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1)NCc1ccccc1 1795733051 YDFBNRSVLAEXCZ-FDXFOXQZSA-N 477.326 -0.558 50 20 JBGD CC(=O)Nc1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)c1 1795736921 OHRGQGUPWVQICK-RMFSNUHRSA-N 451.288 -0.158 50 20 JBGD C[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1)[S@@](=O)c1ccccc1 1795736964 RZAGSZAGDQJBAZ-VJSWGVQLSA-N 470.356 -0.234 50 20 JBGD Cc1ccn2c(=O)c(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)CCC(=O)NN(C)C)C4)cnc2c1 1797068383 UMCBMYBQHDLLGN-VPTLXERWSA-N 470.530 -0.421 50 20 JBGD C[C@H]1Oc2ccc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)c3cnccc3C(=O)NN)C4)cc2NC1=O 1798584040 PCIBWGSBTDIXIV-ZCQATVAHSA-N 494.508 -0.079 50 20 JBGD CN(CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(=O)n1C)C2)NC(=O)NCc1ccccc1 1799094974 NEWQJWOAHFTRLH-BBIADKPPSA-N 496.568 -0.065 50 20 JBGD COC(=O)[C@H]1CC=CC[C@@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2 1800962416 TYVXJGVYEVGBGN-WFNPHZEWSA-N 450.536 -0.296 50 20 JBGD O=C(c1cc(=O)n2[nH]nnc2n1)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827054962 QKOAFNSVFAISLV-SFHVURJKSA-N 479.306 -0.961 50 20 JBGD N[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1)c1cccc(Cl)c1 1835731040 RNFHNDOWXFJONK-REWPJTCUSA-N 487.749 -0.210 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1)c1ccncc1O 1835874959 YRURIFCSBVNPKY-UHFFFAOYSA-N 452.320 -0.034 50 20 JBGD COC(=O)[C@@H]1CCC[C@@H](C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)C1 1835934266 QQOILMFTYCEKIV-KHCICDEESA-N 488.346 -0.584 50 20 JBGD Cn1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)c2cccnc21 1835937932 BJZKNICVCATEMV-XMMPIXPASA-N 478.314 -0.363 50 20 JBGD O=C(CS[C@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835938263 RJKBBCCUCWFHSE-UNMCSNQZSA-N 478.376 -0.304 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccccn3)CCO2)C1 1836190137 KONTUUDFPYYHIM-JOCHJYFZSA-N 454.487 -0.607 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1[nH]nc3ccncc13)CCO2 1836449939 VXBZGWMJADNKLZ-QFIPXVFZSA-N 480.485 -0.660 50 20 JBGD CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCOC[C@@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1 1837717674 LRSQVIYXMJKBFW-WIYYLYMNSA-N 481.626 -0.235 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CC(c3ccccc3)=NN1)CCO2 1839635395 RGVIOYDUDHYFNR-WIOPSUGQSA-N 492.341 -0.797 50 20 JBGD CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)N2CC3(CCCN3C(=O)c3ccc(B(O)O)cc3)C2)C1 1843012365 IIICKUHISNCZCO-QHCPKHFHSA-N 473.335 -0.445 50 20 JBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NCCCN3CCC[C@H]3C(=O)N(C)C)nc2)CC1 726277713 QAJXPOLBLZUQKL-SFHVURJKSA-N 496.638 -0.414 50 20 JBGD O=C(NNS(=O)(=O)c1cc2c(cc1Br)OCCO2)N[C@H]1CCS(=O)(=O)C1 747072622 JSRRZPYXOCHHKI-QMMMGPOBSA-N 470.323 -0.100 50 20 JBGD Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)NNC(=O)CNC(=O)c2ccco2)C1 751204694 MSXXXCMLSYFIRW-CYBMUJFWSA-N 453.477 -0.137 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)COc2ccc(O)nn2)C1 1781498134 DMNQCKCJUNGAQM-QVKFZJNVSA-N 464.523 -0.552 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@]1(NC(=O)OC(C)(C)C)CCOC1)CCO2 1783935042 OXVQDKPUNFVSTJ-DHIUTWEWSA-N 497.593 -0.127 50 20 JBGD Cc1ccc(C(=O)NCC(=O)N2CC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)cc1 1785566537 JXJOLOKCAAKQMJ-QHCPKHFHSA-N 459.547 -0.072 50 20 JBGD O=C(CCn1c(=O)oc2ccccc21)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1793984908 DLLMLDBECGDSJK-FAQVEIGNSA-N 479.298 -0.432 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3nc(CO)[nH]c3c1)C2)c1ccc(B(O)O)cc1 1795734394 ODMPEKIOPLRBIB-VPTLXERWSA-N 464.287 -0.748 50 20 JBGD C[C@H]1Oc2ccc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)c3cccc(B(O)O)c3)C4)cc2NC1=O 1798583202 VKACLZWGKBUQJB-DBDYQOSUSA-N 479.298 -0.397 50 20 JBGD CC(C)(C)OC(=O)N[C@H]1C[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)C1 1802083750 IHSRRYRVCOFBRY-LHMCCDAXSA-N 487.362 -0.127 50 20 JBGD C[C@@H](NC(=O)c1ccccc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1802114314 NEKIHDHNJXPWBA-DFYYWFRZSA-N 480.525 -0.293 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)CN2CC(=O)NC2=O)[C@@H]1c1cccnc1 1804190829 OCPNFVVRIAYVHV-YWZLYKJASA-N 459.507 -0.988 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@H]1CCN(C(=O)COc2ccc(O)nn2)[C@@H]1c1cccnc1 1810304888 GZNODVPPYPETBC-QVKFZJNVSA-N 492.496 -0.026 50 20 JBGD CN1CCN(CC(=O)N[C@H]2CCc3nc(NC(=O)c4cccc(B(O)O)c4)sc3C2)CC1 1815356295 ATBKOBDBXLSJCF-INIZCTEOSA-N 457.365 -0.704 50 20 JBGD O=C(CS(=O)(=O)N1CCCC1)Nc1nc2c(s1)C[C@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1817272012 QVTSLEUKOXTJFL-OAHLLOKOSA-N 492.388 -0.526 50 20 JBGD NNC(=O)c1ccncc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CNC2=O)[nH]n1 1819401559 HYJXJOPZWLQCRM-AWEZNQCLSA-N 469.462 -0.734 50 20 JBGD C[C@H](O)C(=O)N1CC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCN2C(=O)OCc2ccccc2)C1 1829000533 JEAHNPPIWJEZAG-AVRWGWEMSA-N 495.341 -0.187 50 20 JBGD Cc1nnc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)s1 1833023337 NDUIPIXYBVHLQI-HXUWFJFHSA-N 468.580 -0.391 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)c3ccc[n+]([O-])c3)CC2)CC1)c1cccc(B(O)O)c1 1834800000 NMFQALFHZWZLFP-UHFFFAOYSA-N 452.320 -0.501 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)c3cc(=O)c4ccccc4o3)C2)C1 1835926629 VNMXFVXNPBNHLL-VWLOTQADSA-N 492.293 -0.143 50 20 JBGD O=C(C[C@@H]1COc2ccccc2O1)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835934362 XSCUXVHSDWEXHX-NLFFAJNJSA-N 496.325 -0.334 50 20 JBGD COc1ccc(F)c(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)c1 1835934494 VXFJUYNBIACWIE-HSZRJFAPSA-N 472.278 -0.102 50 20 JBGD CC(C)N[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1)C(C)C 1835935868 VEFVGJWCYRGJED-OFNKIYASSA-N 461.368 -0.541 50 20 JBGD C[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1)n1cccc1 1837461589 ZBWJFCOAGHBCLD-AOMKIAJQSA-N 456.503 -0.182 50 20 JBGD CC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4c3CS(=O)(=O)C4)C2)C1 1839144161 SAAZTCQTRMHDRZ-FZKQIMNGSA-N 460.940 -0.075 50 20 JBGD Cc1cn(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](F)Br)CCO3)c(=O)nc1O 1839203333 IMYJVCIDJSTECP-GUYCJALGSA-N 477.287 -0.596 50 20 JBGD Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)cc1O 1839266404 ZBDJCRFKWZUOJR-QHCPKHFHSA-N 454.288 -0.236 50 20 JBGD CC(C)c1nc(CC(=O)N2CCOC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)no1 1840182720 QXASWGWVXMQGLQ-OAQYLSRUSA-N 466.539 -0.435 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)CN(C)C(=O)c3ccccc3)C2)C1 1840182834 VRGNGJYBHHPISO-XMMPIXPASA-N 489.573 -0.412 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc4c3NC(=O)C4=O)C2)C1 1840184376 IZFGUUPOZITRJO-QHCPKHFHSA-N 487.513 -0.736 50 20 JBGD C[C@@H](O)[C@H](NC(=O)c1ccccc1)C(=O)N1CCCC12CN(C(=O)c1cnccc1C(=O)NN)C2 1841224163 PSUOHCZLNADOMU-BEFAXECRSA-N 480.525 -0.319 50 20 JBGD COc1cc(C(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)ccc1OCC(N)=O 731605176 CKXFMFGMRNCWRM-UHFFFAOYSA-N 464.500 -0.051 50 20 JBGD O=C(CCc1cnccn1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2 1782579841 TWJANYSTRRGOQB-NFBKMPQASA-N 452.320 -0.083 50 20 JBGD CC(=O)N[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)CN(C)NC(=O)NCc3ccccc3)CCO2)C1 1783179221 RUDNIBZZRNFDFB-SBUREZEXSA-N 474.562 -0.313 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)C[C@H](O)CNC(=O)OC(C)(C)C)CCO2 1783934347 FEBCAFXSFFHCML-KSFYIVLOSA-N 485.582 -0.535 50 20 JBGD CN(CC(=O)Nc1ccc(C2(NC(=O)c3ccc(B(O)O)cc3)CCC2)cc1)C(=O)C(=O)O 1791095456 YXSUCZCAKNUFPB-UHFFFAOYSA-N 453.260 -0.343 50 20 JBGD Cc1nc2sccn2c1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1797544690 QESONZTZKCWJFT-SCAQPMJSSA-N 454.317 -0.099 50 20 JBGD CC(=O)N[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1ccc(F)cc1 1799056118 QUTSDAWCZTWEDR-GMQQQROESA-N 483.305 -0.414 50 20 JBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O 1799196594 LHCLOPMRQWSYEJ-PHSQPZKOSA-N 497.593 -0.823 50 20 JBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3c(c1)n(C)c(=O)n3C)C2 1801011157 JHRQMCMWRQOOFR-VPTLXERWSA-N 472.546 -0.547 50 20 JBGD CN(C)C(=O)NCC(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1802677565 QQFUOGWEVNDYGI-YLJYHZDGSA-N 453.308 -0.648 50 20 JBGD CCS(=O)(=O)CC(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1803514643 MLZPJLSDDLKGKW-YLJYHZDGSA-N 459.333 -0.484 50 20 JBGD C[C@H](C(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)N1CCN(C)CC1 1807372547 GAYLLUSJYSIJJY-JZWVFAODSA-N 479.390 -0.283 50 20 JBGD COC[C@@H](NC(C)=O)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cnccc2C(=O)NN)[nH]n1 1819611362 YGMJAKVDEHTFIM-IAGOWNOFSA-N 472.506 -0.135 50 20 JBGD O=C(NCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2)c1ccccc1 1830738471 QBHUSSBYJVSDQG-UWJYYQICSA-N 453.923 -0.137 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1ncc(F)cc1F)CCO2 1831962287 VPYBXWZEMFMWJP-OAQYLSRUSA-N 461.230 -0.577 50 20 JBGD O=C(Cc1cccnc1Cl)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1832716976 PZCZXMWBCRQCTL-QFIPXVFZSA-N 473.722 -0.273 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1)c1cccn2c(O)nnc12 1835043071 BWCDUMVQACCHFO-UHFFFAOYSA-N 492.345 -0.386 50 20 JBGD C[C@@H](Nc1cccnc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1835686450 BVZFTVLVXXTDPA-HXOBKFHXSA-N 468.319 -0.668 50 20 JBGD CC(C)(C)n1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)cn1 1835927168 JVVGXGKKCUMEIF-QHCPKHFHSA-N 470.335 -0.298 50 20 JBGD NC[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1)c1ccccc1 1835928409 OFJMMQXQEZFATN-QPPBQGQZSA-N 467.331 -0.821 50 20 JBGD CCOC(=O)C1(C(=O)N2CCOC[C@]3(CN(C(=O)c4cnccc4C(=O)NN)CCO3)C2)CC1 1837459545 JKANNGOIJHKADE-NRFANRHFSA-N 475.502 -0.902 50 20 JBGD Cc1cc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)n[nH]1 1837459658 VFWOKOJCHCWSES-OAQYLSRUSA-N 457.491 -0.971 50 20 JBGD O=C1NCCCn2nc(C(=O)N3CCOC[C@]4(C3)CN(C(=O)[C@H](F)Br)CCO4)cc21 1839200032 AHHAOYUXVUOSDR-KSSFIOAISA-N 488.314 -0.223 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(N)=O)CCO2)C1 1840918882 XZEMCBBLIUEPGL-ORAYPTAESA-N 477.946 -0.757 50 20 JBGD CC(C)C(=O)Nc1nc(O)c2ncn(CC(=O)N3CCCC34CN(C(=O)[C@H](O)CCl)C4)c2n1 1845884117 BBKLNEUQDMRTKF-GFCCVEGCSA-N 479.925 -0.071 50 20 JBGD Cn1nc(SCC(=O)NN=C2C(=O)Nc3cccc(Br)c32)c(=O)n(C)c1=O 17682534 BSGOUDUFCBUVJN-UHFFFAOYSA-N 453.278 -0.194 50 20 JBGD COc1ccc([C@@]2(C)NC(=O)N(CC(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)C2=O)cc1 23787514 SOMOQGAJQJREAD-OAQYLSRUSA-N 464.442 -0.101 50 20 JBGD NC(=O)[C@@H]1CC(C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)=NN1c1ccccc1 728319614 VVHYODXNSBLAHX-YJBOKZPZSA-N 467.438 -0.363 50 20 JBGD CCS(=O)(=O)N1CCC[C@@H](C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)C1 728331157 CSMAXEVINCLKSG-CZUORRHYSA-N 455.489 -0.421 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@]2(CCN(C(=O)C[C@@](C)(O)CC(=O)O)C2)C1 1783926561 NISUTHYAVICIMG-FVSHYKRFSA-N 463.491 -0.434 50 20 JBGD C[C@@](O)(C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21)C(F)(F)F 1784875095 ZXGFNFSPZZYBHT-CQDXQUMASA-N 459.425 -0.408 50 20 JBGD COC(=O)[C@@H]1CC[C@@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)C1 1786978823 ZRXXIEQCLVAGPI-JOMPHRNESA-N 458.320 -0.451 50 20 JBGD COc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)c(O)c1 1789481766 HELSZCIDHWYLNB-ZRCAFCQKSA-N 454.288 -0.012 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]c3cccc(F)c13)C2)c1cccc(B(O)O)c1 1795740549 HJHJWHFLRQJZKT-HBCWATKFSA-N 452.251 -0.101 50 20 JBGD CN(C)NC(=O)CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1CCN(S(C)(=O)=O)CC1 1797707186 IUOWFZFTIWOKDR-BJWYYQGGSA-N 457.597 -0.331 50 20 JBGD CN1C(=O)CC[C@H]1C(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1808756687 BLKBPXMDVCTZSX-LMNJBCLMSA-N 450.304 -0.298 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@@H](CNC(=O)CN(CCO)CCO)[C@H]1c1cccnc1 1812713971 HXWXAILUWZKJGM-DXNGAEDLSA-N 499.572 -0.492 50 20 JBGD O=C1C[C@H](C(=O)NC[C@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)CCN1 1813134403 ZRMYYGWZQXDMCI-HGHGUNKESA-N 450.304 -0.393 50 20 JBGD C[C@](Cl)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)C[C@H]3NC(=O)NC3=O)CCO2)C1 1832696618 FECZKVDVYDHSML-ZTFRIQLXSA-N 451.307 -0.723 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCC(N2CCC(NC(=O)c3ccc(O)nn3)CC2)CC1 1834070206 NPXSBINYPOQPGW-UHFFFAOYSA-N 468.518 -0.320 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc4c(c3)OCO4)CCO2)C1 1835170195 SPGPCNIKDPDGKF-XMMPIXPASA-N 497.508 -0.274 50 20 JBGD Cc1cc(C)nc(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)c1 1835928171 GUXKXHWDJJEBOT-QHCPKHFHSA-N 453.304 -0.238 50 20 JBGD COc1ccc(C(=O)NC2CCN(C3CCN(C(=O)c4cccc(B(O)O)c4)CC3)CC2)nn1 1836056764 WUIKVDVQSQKVOK-UHFFFAOYSA-N 467.335 -0.336 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc4c(n3)OCCO4)CCO2)C1 1836470468 ZQOKETKCZAGUGI-HSZRJFAPSA-N 498.496 -0.765 50 20 JBGD CC[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCN(C(C)=O)CC3)CCO2)C1 1836769142 MTLMVWVGPUGBTD-XLIONFOSSA-N 489.411 -0.220 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)c1c[nH]c3cnccc13)CCO2 1837175936 SSJDAOYUQICVBD-HSZRJFAPSA-N 464.287 -0.374 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccncc3O)C2)C1 1837459719 WYWPKXXRJTYWCT-OAQYLSRUSA-N 456.459 -0.831 50 20 JBGD C[C@@H](Oc1ccccn1)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837460409 FXNUCJBCPHNBGZ-MWTRTKDXSA-N 484.513 -0.382 50 20 JBGD CCOc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)nn1 1838831925 ABCCSVBBFIZVFL-NRFANRHFSA-N 464.523 -0.682 50 20 JBGD C[C@](Cl)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)N3CCOCC3)C2)C1 1839153924 VYIOIKDECJUSNO-JLSDUUJJSA-N 454.351 -0.670 50 20 JBGD COc1ccc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)CCC(=O)NN(C)C)CCO3)cn1 1840182762 TUPZGYPBQWDWEX-HSZRJFAPSA-N 477.562 -0.148 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3nn[nH]c3C(F)(F)F)C2)C1 1840184923 CIDBQJKMXJSKAF-KRWDZBQOSA-N 477.444 -0.734 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1840185514 OJYFMOYZSZDRFX-QHCPKHFHSA-N 464.563 -0.486 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC2(CCCN2C(=O)c2cc3n(n2)CCNC3=O)C1 1842563318 AVVMNMAEKCOXLK-ZMOGYAJESA-N 452.475 -0.423 50 20 JBGD CN(CC(=O)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1)NC(=O)NCc1ccccc1 1843012042 XWDDZBFNPHUQMQ-UHFFFAOYSA-N 479.346 -0.470 50 20 JBGD COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)NNC(=O)N2CCOCC2)CC1 745996192 QGLWJDLDZBNKCM-UHFFFAOYSA-N 454.505 -0.053 50 20 JBGD COc1cc2c(cc1OC)[C@@H](CC(=O)NNC(=O)C1=COCCO1)N(S(C)(=O)=O)CC2 913161847 YPAXGZGDWJDEHE-CQSZACIVSA-N 455.489 -0.012 50 20 JBGD CCNC(=O)NNC(=O)[C@H](CCSC)NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 920858800 DOBMSFYHJKCVQN-INIZCTEOSA-N 487.604 -0.091 50 20 JBGD O=C1Nc2ccccc2/C1=C/C(=O)N1CC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1778901326 MKRKALGUWGOLEP-YSPNNUNSSA-N 461.283 -0.154 50 20 JBGD Cn1nc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)c2c1CCC2 1779032396 QEXOFSWIMTUWII-JOCHJYFZSA-N 453.503 -0.335 50 20 JBGD CN(CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CNC(N)=O)C2)NC(=O)NCc1ccccc1 1780559225 CZTOKJVNMKTHOU-WZONZLPQSA-N 489.577 -0.485 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1ccc2c(c1)OCCO2 1796788076 YNSJLPKNXXLYHT-UPHUGPLXSA-N 452.272 -0.345 50 20 JBGD C[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN)n1ccccc1=O 1797751907 YHQZAFZXGBVAOG-ZTENYAIWSA-N 454.487 -0.689 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]c3c1CS(=O)(=O)C3)C2)[C@H](F)Br 1799346645 UMUWQTQKYDIDLP-XXEYQXHCSA-N 465.301 -0.268 50 20 JBGD CC(C)(C)OC(=O)N1C[C@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(B(O)O)cc2)C3)[C@@H](O)C1 1799980505 BCAWFBOUMUEVAG-WPVAHCMFSA-N 487.362 -0.154 50 20 JBGD C[C@H](Cn1cncn1)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815356800 RSJCYHPMIIKTET-IUODEOHRSA-N 454.321 -0.024 50 20 JBGD CC(=O)N1CCN(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1828492193 ZCSVWAQAYFFFNI-HSZRJFAPSA-N 484.406 -0.236 50 20 JBGD O=C(c1ccc(N2CCOCC2)cn1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830726547 ZKATYUWQGJDABN-NQIIRXRSSA-N 468.938 -0.412 50 20 JBGD CC[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)CN3C(=O)CNC3=O)CCO2)C1 1832333785 BSIATAQUJJBILW-PXAZEXFGSA-N 461.313 -0.832 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC1CCN(C2CCN(C(=O)CC(F)(F)C(=O)O)CC2)CC1 1835736795 IHNDOBGVXZFOHP-UHFFFAOYSA-N 482.488 -0.020 50 20 JBGD Cc1cccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)n1 1835926663 XQWHJPBCBVEHLB-QHCPKHFHSA-N 453.304 -0.617 50 20 JBGD COc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)c(O)c1 1835931389 QBCQGXPESMNFPI-HSZRJFAPSA-N 470.287 -0.536 50 20 JBGD C[C@@H](NC(=O)c1ccccc1)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835941147 JARRGYJOMDMTBP-CJAUYULYSA-N 495.341 -0.745 50 20 JBGD Cn1c(=O)c2c(ncn2CC(=O)N2CCC(OC3CCN(C(=O)[C@H](F)Cl)CC3)CC2)n(C)c1=O 1837128097 DTNFDUJGKAIUSS-KRWDZBQOSA-N 498.943 -0.033 50 20 JBGD O=C(O)c1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](F)Br)CCO3)ncn1 1839197560 BBZIGJGUXVHURI-BLLLJJGKSA-N 461.244 -0.065 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc4ccnn4c3)CCO2)C1 1839570346 IQTVRRDDGZIOHX-HSZRJFAPSA-N 479.497 -0.283 50 20 JBGD CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)Br)C2)C1 1840371890 GYRWCKIHTVMYHD-URKNILKWSA-N 486.367 -0.303 50 20 JBGD O=C(CCc1c[nH]c2ncccc12)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1840870049 HZBSUJKLVKCVPP-RUZDIDTESA-N 492.341 -0.055 50 20 JBGD O=C(CNC(=O)c1ccco1)NNC(=O)N1CCN(CC(=O)N2CCc3ccccc32)CC1 725872712 RADOPARVFVRKKU-UHFFFAOYSA-N 454.487 -0.043 50 20 JBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NCCN3CCOCC3(C)C)nc2)CC1 728400194 MADHMTBLJZVKBX-UHFFFAOYSA-N 455.585 -0.245 50 20 JBGD C[C@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1ccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)cc1 728510525 MHVUIJARURYZLR-MCIONIFRSA-N 496.633 -0.400 50 20 JBGD O=C1CN(S(=O)(=O)c2cccc(C(=O)OCC(=O)NNC(=O)c3ccccc3)c2)CCN1 912685000 NXUMAYHVSNSWAI-UHFFFAOYSA-N 460.468 -0.575 50 20 JBGD O=C(COC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)NNC(=O)c1ccc(Cl)cc1 914651761 ONYTUKAMOLCICV-OCCSQVGLSA-N 457.892 -0.320 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)c3[nH]cnc3-c3cccnc3)C2)C1 1780053042 YEABUCKBLNLXIM-HSZRJFAPSA-N 461.287 -0.091 50 20 JBGD COC(=O)[C@@H]1CCC[C@H](C(=O)N2CC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)C1 1783860881 WMRZFASWDQWUHS-PRCFCKQXSA-N 458.320 -0.211 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)[C@@H]1CC(=O)N(C2CCCC2)C1 1793777572 XKGVQZRARNWJGP-QSNWEANLSA-N 469.347 -0.639 50 20 JBGD CN(CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1ccccc1=O)NC(=O)NCc1ccccc1 1795774991 VCGDEDWYEZMSGU-IRJINJETSA-N 496.568 -0.216 50 20 JBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnn3c1OCCC3)C2 1797753952 LVSXAFOIFDHGSN-FVCICTRLSA-N 455.475 -0.819 50 20 JBGD CC(C)(C)OC(=O)N[C@H](O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnccc1C(=O)NN 1798441766 IWXRSXHYCKOMGR-SJBDTSRBSA-N 462.507 -0.220 50 20 JBGD COc1ccnc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)c1OC 1798767732 NVYZXKMRVGZUAP-JLVBRIDZSA-N 455.276 -0.704 50 20 JBGD CC(=O)Nc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(=O)NN(C)C)C3)cc1O 1799847579 FWNCHFVYGYMKQQ-VPTLXERWSA-N 461.519 -0.073 50 20 JBGD CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](O)CCl)C3)C1 1801051923 UGLCPHNPGWRNGD-SGQRUEDASA-N 461.943 -0.452 50 20 JBGD CC[C@H](NC(N)=O)C(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1808228110 CXOCLPJYSCJWEO-NZSAHSFTSA-N 453.308 -0.472 50 20 JBGD CCS(=O)(=O)N[C@H](C)C(=O)N1CC[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1 1813068345 LFCYITZRCHNUPG-OXFYSEKESA-N 482.607 -0.212 50 20 JBGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1)[C@H]1CCCS1(=O)=O 1821834303 YCHSNESJLATMCE-DLBZAZTESA-N 460.321 -0.027 50 20 JBGD CS(=O)(=O)c1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)cc1 1830723454 NZROLWDZHALGHB-FXAWDEMLSA-N 474.963 -0.311 50 20 JBGD COC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](O)CCl)CCO2)C1 1830728873 YSDIZTLUSKGMGM-SXGZJXTBSA-N 479.958 -0.418 50 20 JBGD COc1cccnc1CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1832864938 ZHEXQRGXOQMSBH-XMMPIXPASA-N 498.540 -0.209 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCC(N2CCC(NC(=O)CN3CCCC3)CC2)CC1 1833100289 GASISZOGXISOAN-UHFFFAOYSA-N 457.579 -0.034 50 20 JBGD CCS(=O)(=O)N[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@H](O)CCl)CC2)CC1 1833306657 VVHYQZAJSCMXMZ-CZUORRHYSA-N 453.005 -0.515 50 20 JBGD Cn1cncc1C(=O)NC1CCN(C2CCN(C(=O)c3cnccc3C(=O)NN)CC2)CC1 1834244275 BNXRHRARNLNRRU-UHFFFAOYSA-N 454.535 -0.082 50 20 JBGD Cc1nnc(CC(=O)NC2CCN(C3CCN(C(=O)c4ccc(B(O)O)cc4)CC3)CC2)o1 1834831963 CHGULRCSHXJHDM-UHFFFAOYSA-N 455.324 -0.514 50 20 JBGD Cc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)cn1 1835927000 BDNOJKAQXWHLHJ-QHCPKHFHSA-N 453.304 -0.617 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CC(=O)N(C4CCCC4)C3)C2)C1 1835927057 CFSQSJOVDUWWNA-KBMIEXCESA-N 499.373 -0.773 50 20 JBGD O=C(C1=NO[C@@H](c2ccccc2)C1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835930587 OAHJJCOVVXLLQL-RCZVLFRGSA-N 493.325 -0.046 50 20 JBGD O=C(COc1cc(Cl)ccn1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835930628 QOZMZHLGZXEYLT-JOCHJYFZSA-N 489.721 -0.436 50 20 JBGD CN1Cc2ccccc2C[C@@H]1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835933719 BETVLAHVTZLVOR-ZEQKJWHPSA-N 493.369 -0.507 50 20 JBGD CC(=O)N/C(=C\c1ccco1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835939692 YDABPEBMAYQMRK-NIQJEMAJSA-N 497.313 -0.793 50 20 JBGD COc1cccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)n1 1837456853 OJPPSUNHCDFHCK-JOCHJYFZSA-N 470.486 -0.528 50 20 JBGD Cc1cnc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)cn1 1837457266 ZNLLBPBIUBWRTL-OAQYLSRUSA-N 455.475 -0.833 50 20 JBGD CC[C@@H](NC(N)=O)C(=O)N1CCC(OC2CCN(C(=O)c3cnccc3C(=O)NN)CC2)CC1 1838067110 DDAMMJDBQZVUMP-GOSISDBHSA-N 475.550 -0.256 50 20 JBGD C[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCN3C(=O)C=CC3=O)C2)C1 1840030678 SNAHFDMTIFQQEC-FZKQIMNGSA-N 458.309 -0.459 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ccc(F)nc3)C2)C1 1840183012 ZHYQUUSZMUMHNS-QFIPXVFZSA-N 465.526 -0.017 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)CCN2C(=O)c3ccccc3C2=O)C1 1841910095 MGLUMAAZLCWVRM-UHFFFAOYSA-N 461.283 -0.130 50 20 JBGD C#CC(=O)N1CC2(CCCN2C(=O)[C@H](Cc2ccc(B(O)O)cc2)NC(=O)OC(C)(C)C)C1 1843428700 LASQVLACERBYFP-SFHVURJKSA-N 455.320 -0.361 50 20 JBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)[C@H]3CCCCN3S(C)(=O)=O)cc2)CC1 728216048 OMBVQMGABRXVCQ-QGZVFWFLSA-N 459.594 -0.120 50 20 JBGD COc1cc(C=NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)cc(OC)c1OC(C)=O 730568824 DBKCWIUALBEWCY-UHFFFAOYSA-N 451.461 -0.336 50 20 JBGD Cc1cc(C(=O)NCC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cnccc2C(=O)NN)C3)no1 1779434507 ZRAIJXHFSUOONG-WZONZLPQSA-N 499.528 -0.461 50 20 JBGD C[C@H](NNc1ccccc1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1783551980 BLXXKUNDUFRZCR-DBXVSBKESA-N 466.347 -0.035 50 20 JBGD CS(=O)(=O)Cc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]3C2)cn1 1784089863 KTPDONNHJAYXBK-LLLHUVSDSA-N 459.952 -0.181 50 20 JBGD CC(=O)N[C@@H](Cc1cccc(F)c1)C(=O)N1CC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1785453660 CPJJMOSSFJQGQA-DHLKQENFSA-N 497.332 -0.304 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnn4ncccc34)[C@H]2C1 1787376247 UEJKUSFNGUDDGQ-IXDGSTSKSA-N 464.486 -0.365 50 20 JBGD CCOC(=O)N[C@@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C(C)=N/NC(=O)c3ccc[nH]3)[C@H]2C1 1787508465 JYFHNAYCFGRLLD-KCGUDSIKSA-N 478.506 -0.835 50 20 JBGD C[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnccc1C(=O)NN)C2)[C@H]1SC(=N)NC1=O 1796880909 MYUVTYXRHFUGJW-QKZHPOIUSA-N 459.532 -0.261 50 20 JBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3c(n1)OCCO3)C2 1797750446 FQEDOHAUVBFINZ-IVWMJMPLSA-N 468.470 -0.632 50 20 JBGD CN(CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](O)N1CCOCC1)NC(=O)NCc1ccccc1 1798489020 NVRYRUKXMMYLNX-IIZPIQPGSA-N 488.589 -0.379 50 20 JBGD COC[C@@H](NC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc([N+](=O)[O-])ccc1OC(C)=O 1798524443 BDIVVAPFMANSEZ-BAAGSCJXSA-N 492.485 -0.126 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H](CNC(=O)C[C@H]2NC(=O)NC2=O)[C@@H]1c1cccnc1 1804342859 FCYDFFWIQVTGSK-PJMYRGHFSA-N 494.512 -0.181 50 20 JBGD O=C(NC[C@H]1CCN(C(=O)c2cc(=O)n3[nH]cnc3n2)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807363884 PAUWCOYEFUWRTG-UZLBHIALSA-N 487.285 -0.874 50 20 JBGD C[C@H](C(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1)N1CCN(C)CC1 1807364661 GONKCCDNWPSLTP-RZFNWQHOSA-N 479.390 -0.283 50 20 JBGD CN1CCN(CC(=O)N2CC[C@H](CNC(=O)c3cnccc3C(=O)NN)[C@@H]2c2cccnc2)CC1 1810303208 QSGJLDBZASMNEP-GCJKJVERSA-N 480.573 -0.353 50 20 JBGD CCOC(=O)N[C@H](O)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCC(=O)NN(C)C)[nH]n1 1819243244 BSBCYOGAZQHVTO-FZKQIMNGSA-N 453.500 -0.161 50 20 JBGD C[C@@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cnccc2C(=O)NN)[nH]n1)n1cnnn1 1822859902 ZXBCBHXWRNGRGX-NHYWBVRUSA-N 453.467 -0.038 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)CN2CCS(=O)(=O)CC2)CC1 1824976810 QCBBTPZVRSJXAY-IBGZPJMESA-N 485.651 -0.291 50 20 JBGD O=C1CC(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCN3C(=O)OCc2ccccc2)=NN1 1828551114 JAXVOBFXFQKZCZ-VGOFRKELSA-N 491.932 -0.086 50 20 JBGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](NC(=O)c1ccccc1)[C@@H](C)O)CCO2 1830352928 UWPRHRBJEQLUHX-LDQAXMLRSA-N 497.976 -0.124 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1csnn1)CCO2 1831748352 VZMBBCLREQVNJV-DBRLUCFCSA-N 461.504 -0.258 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)c3cn4cc(F)ccc4n3)C2)C1 1835930390 IIOOHQRCCZGWPJ-HSZRJFAPSA-N 482.277 -0.463 50 20 JBGD Cc1cc(C)nc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)c1 1835935767 QCQNJUVSGSSCJS-HSZRJFAPSA-N 453.304 -0.238 50 20 JBGD C[C@@H](Nc1cnccn1)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837459964 XMOMJFRCXKUJOG-IVZQSRNASA-N 484.517 -0.954 50 20 JBGD O=C(CCBr)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(=O)nc3cccnn13)CCO2 1838500020 QMBMALRJPIRWPC-LJQANCHMSA-N 480.319 -0.056 50 20 JBGD O=C(OCCO)c1ccccc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1838567650 HYVOSKNNEXKZBU-UTKZUKDTSA-N 470.906 -0.495 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)CC(=O)OC(C)(C)C)C2)C1 1840182494 JYQYIYNMHOFXDF-NRFANRHFSA-N 456.540 -0.452 50 20 JBGD CS(=O)(=O)c1ccc(CC(=O)N2CCCC23CN(C(=O)c2ccc(B(O)O)cc2)C3)cc1 1842810528 DOUDJPVIRQDKAX-UHFFFAOYSA-N 456.329 -0.170 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC2(CCCN2C(=O)c2cc3n(n2)CCCNC3=O)C1 1843998519 MKXKOHGFKQHHCA-AFUMVMLFSA-N 466.502 -0.032 50 20 JBGD CC(C)(C)OC(=O)N1C[C@](C)(O)C[C@H]1C(=O)N1CCCC12CN(C(=O)c1ccc(B(O)O)cc1)C2 1846230537 UIZUMONWTUSZEG-FDDCHVKYSA-N 487.362 -0.056 50 20 JBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@@H]2CCCO2)c1 729275283 MYYSANSFYXWEOP-JQWIXIFHSA-N 482.968 -0.504 50 20 JBGD COc1ccc(NC(=S)NNC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)cn1 729691857 DTRJSDQVFNHGOI-UHFFFAOYSA-N 464.529 -0.158 50 20 JBGD CCOc1ccc(S(=O)(=O)NCC(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cc1OCC 798149906 XGOYMIZUBAFOCR-LBPRGKRZSA-N 463.534 -0.656 50 20 JBGD COc1ccc(C(=O)NNC(=O)COC(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)cc1OC 914652564 FWPRZTIIJPOJCI-KBPBESRZSA-N 483.499 -0.956 50 20 JBGD CN(CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](N)CN)C1)NC(=O)NCc1ccccc1 1778002755 FVCWJWPBVLGMBO-YCRNBWNJSA-N 475.594 -0.868 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@]2(CN(C(=O)CN3CC(=O)NC3=O)CCO2)C1 1780095032 BYLQMPVHKPFIIS-NRFANRHFSA-N 489.441 -0.485 50 20 JBGD CN1C(=O)CC[C@H]1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cnccc1C(=O)NN)C2 1780792700 AOHOOXLUIOKULC-GSHUGGBRSA-N 458.519 -0.567 50 20 JBGD CN(CC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CNC(=O)C3)C2)C1)NC(=O)NCc1ccccc1 1783164896 GKBDMPAUXBXBKO-FDDCHVKYSA-N 472.546 -0.701 50 20 JBGD C[C@@H](Oc1ccccn1)C(=O)N1CC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1784491978 XQYFFRUGSZYOJP-IVZQSRNASA-N 454.487 -0.009 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(F)(F)C(F)(F)C(=O)O)[C@H]2C1 1784914801 GAYAENPZZAAQFC-XDTLVQLUSA-N 491.398 -0.366 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CN(Cc3ccccc3)CCO1)C2)c1cccc(B(O)O)c1 1795738792 GDMSXRISUIZDQM-DVKRWUGUSA-N 493.369 -0.529 50 20 JBGD CN(CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccn(C)n1)NC(=O)NCc1ccccc1 1795811644 JPTARKYREUZNAL-BBIADKPPSA-N 483.573 -0.102 50 20 JBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(N2CCOCC2)n1 1796619405 RCMARZDYIAZIDW-FAQVEIGNSA-N 474.562 -0.506 50 20 JBGD Cn1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)c(C(F)(F)F)n1 1797751917 ZHTPCXSJHNAJNC-QHBPRCKVSA-N 481.435 -0.046 50 20 JBGD CCC(=O)N[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN(C)NC(=O)NCc1ccccc1 1799094869 FLSLQPOGWIRDGT-NSAZKJPHSA-N 488.589 -0.163 50 20 JBGD O=C(CN(CCO)CCO)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](Br)Cc1ccccc1)C2 1800581578 KPQMGRKHFNJTPN-RCLSDMTESA-N 498.418 -0.131 50 20 JBGD COC(=O)[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2)NC(=O)OC(C)(C)C 1800909202 RPPIQTDTNLHSKO-YMSVYLFOSA-N 477.942 -0.368 50 20 JBGD O=C(NC[C@@H]1CCN(C(=O)Cn2ccccc2=O)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807362283 FYWFQJRVQWAILS-CVDCTZTESA-N 460.299 -0.057 50 20 JBGD CCS(=O)(=O)CC(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807364447 ILFXXSHKJREPIT-YLJYHZDGSA-N 459.333 -0.484 50 20 JBGD C[C@H](C(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1)N1CCN(C)CC1 1807864828 ZLODILOEBRNUQZ-JZWVFAODSA-N 479.390 -0.283 50 20 JBGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1nc3ncccn3n1)CC2)c1ccc(B(O)O)cc1 1815341414 YLSUKMSAEXAJHI-CYBMUJFWSA-N 463.288 -0.200 50 20 JBGD O=C(Cc1cnc2ccccn12)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1830658297 APKQAUKEPQMNEA-XMMPIXPASA-N 478.314 -0.673 50 20 JBGD C[C@@H](CS(C)(=O)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)CCBr)C2)C1 1831455091 YARONHDTOUXXLM-BBRMVZONSA-N 455.371 -0.092 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCC(N2CCC(NC(=O)[C@@H]3CCC(=O)NC3)CC2)CC1 1833122944 LXNFZNVULYZCML-OAHLLOKOSA-N 471.562 -0.604 50 20 JBGD Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)nc1C 1833690066 SPUBOMDINJEEAR-HSZRJFAPSA-N 453.304 -0.238 50 20 JBGD CS(=O)(=O)c1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)cc1 1835349810 ZIBUHHAXPZDHKP-PXNSSMCTSA-N 474.963 -0.311 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)c3[nH]cc4c3CCC4)C2)C1 1835931334 MVCNSMGCIXBHHK-QHCPKHFHSA-N 453.304 -0.433 50 20 JBGD Cn1ccc2c(O)ncc(C(=O)N3CCOC[C@@]4(CN(C(=O)c5ccc(B(O)O)cc5)CCO4)C3)c21 1835931608 SQMHSGCWSUOIDW-XMMPIXPASA-N 494.313 -0.658 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)c3cc4cccn4cn3)C2)C1 1835936806 DYXDOMXXPYPFSM-HSZRJFAPSA-N 464.287 -0.602 50 20 JBGD Cc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)cc(O)n1 1835936849 GSJGONWAKZACDW-QFIPXVFZSA-N 455.276 -0.841 50 20 JBGD O=C1Nc2ccccc2/C1=C/C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835938121 MGSJYZLDHMTEEQ-JUKZXFSCSA-N 491.309 -0.528 50 20 JBGD CC(C)NC(=O)OC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835939326 MHXKSRHBBCPSLO-HSZRJFAPSA-N 491.350 -0.650 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc3c1NC(=O)C3=O)CCO2 1837139814 LPWPRAXHJRLFAI-HSZRJFAPSA-N 487.513 -0.736 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1C[C@H](O)CN1)CCO2 1839078893 KXZZTTKLPDJMNN-SGXKBVARSA-N 492.485 -0.687 50 20 JBGD C[C@@H](Oc1ccccc1)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1839218210 UIUFJCOTUCHTKE-HOYKHHGWSA-N 468.315 -0.096 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)C2)C1 1840185716 VVVHZFGXQOFULL-NRFANRHFSA-N 479.490 -0.257 50 20 JBGD CCOC(=O)N1CCC(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)CC1 1840816601 CBQJTRDAAKWMFT-OXJNMPFZSA-N 461.943 -0.089 50 20 JBGD CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CCCC12CN(C(=O)c1cnccc1C(=O)NN)C2 1841298984 ZLMDOGVTEZKJDV-HNNXBMFYSA-N 462.507 -0.612 50 20 JBGD COCCn1cnc2c1c(=O)n(CC(=O)NNC(=O)NC[C@@H]1CCCO1)c(=O)n2Cc1ccccc1 915879482 AQGJWHRVSVTJEW-KRWDZBQOSA-N 499.528 -0.436 50 20 JBGD COc1cc2c(cc1OC)[C@H](CC(=O)NNC(=O)NCCNC(=O)C1CC1)N(S(C)(=O)=O)CC2 915906612 ZBWKKQHVEUNYAR-INIZCTEOSA-N 497.574 -0.191 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)Cc3ccc4ncnn4c3)CCO2)C1 1779032252 HQPBLJUYBQJWIZ-QFIPXVFZSA-N 464.486 -0.586 50 20 JBGD Cn1c(=O)c2c(CC(=O)N3CC[C@]4(C3)CN(C(=O)[C@H](O)CCl)CCO4)csc2n(C)c1=O 1780922173 VXMVTOXSPRTKBV-XCLFUZPHSA-N 484.962 -0.729 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCNC(=O)c3ccc[nH]3)[C@H]2C1 1785249585 JEPUOTYZGLBPBC-BQFCYCMXSA-N 462.551 -0.513 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc4c(n3)OCCO4)C[C@@H]21)c1cccc(B(O)O)c1 1786983447 TVYJFZCZROIOKQ-KNBMTAEXSA-N 467.287 -0.560 50 20 JBGD CCc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cnccc4C(=O)NN)[C@H]3C2)n(C)n1 1788611382 XSJBRNSDEAUYDQ-IXDGSTSKSA-N 455.519 -0.112 50 20 JBGD Cc1cc(C(=O)NCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cnccc4C(=O)NN)C[C@@H]32)no1 1788669521 ALUIGERGEHGVSZ-OWQGQXMQSA-N 485.501 -0.995 50 20 JBGD C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)n1ccccc1=O 1788748728 ZPGPECSGZNYOOL-LQJIQPLVSA-N 453.304 -0.617 50 20 JBGD CN(CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCn3cncn3)[C@H]2C1)NC(=O)NCc1ccccc1 1791521903 DYVRBIAMKMPKPQ-ACRUOGEOSA-N 498.588 -0.006 50 20 JBGD CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(B(O)O)cc1)C2 1793009823 ISHWZBLLVFMKPU-XMTFNYHQSA-N 461.324 -0.496 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc(OCF)cn1 1794411025 DLCQDLPQWSDYRM-DPIQGUFMSA-N 459.438 -0.702 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CC[C@@H]2CCC(=O)N2C1 1799149171 WVEPELGZXYBMIF-SGWZHLPASA-N 470.530 -0.711 50 20 JBGD CC(=O)NC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1803591222 FEQGDLGBQCFGQW-AZUAARDMSA-N 452.320 -0.004 50 20 JBGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1)c1cccc(=O)n1O 1804949004 IYJJIMIBZUCLCC-LAUBAEHRSA-N 462.271 -0.206 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@H]1CCN(C(=O)C2=NNC(=O)C2)[C@@H]1c1cccnc1 1810303594 WKZYPYBPTWSOOA-FZKQIMNGSA-N 450.459 -0.724 50 20 JBGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1cc(C(=O)O)ncn1)CC2)c1cccc(B(O)O)c1 1815354739 CAMVCWAMSSGJGO-GFCCVEGCSA-N 467.272 -0.149 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H](O)N2CCOCC2)n[nH]1 1819445708 CFDOSJNDFWKIIF-IERDGZPVSA-N 472.506 -0.635 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCC([C@H]2CCCCN2C(=O)CC[C@H](N)C(N)=O)CC1 1826934206 VBZHTMHEUKSJMS-ZWKOTPCHSA-N 459.551 -0.489 50 20 JBGD N#Cc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)cc1 1829904711 VBTNJDMMRARZQR-XMMPIXPASA-N 478.509 -0.131 50 20 JBGD O=C(c1ccc(N2CCOCC2)cn1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830726549 ZKATYUWQGJDABN-WIYYLYMNSA-N 468.938 -0.412 50 20 JBGD Cn1c(=O)c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)nc2ccccc21 1830727875 IWFVWOROVDCTCE-IERDGZPVSA-N 464.906 -0.397 50 20 JBGD CC[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CC(=O)NC3=O)CCO2)C1 1832482254 KWKRWAYKBCYLRC-SJKOYZFVSA-N 461.313 -0.832 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cncc(N(C)C)c1)CCO2 1833366167 RYZQZVRDDUTPLP-QFIPXVFZSA-N 462.551 -0.409 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(-n3cnnc3)cc1)CCO2 1835498987 QBNHRWOOVDXOJG-QHCPKHFHSA-N 485.545 -0.290 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC1CCN(C2CCN(C(=O)CN3CCCC3=O)CC2)CC1 1835736965 NXFIQGAMJIDPOJ-UHFFFAOYSA-N 471.562 -0.507 50 20 JBGD COc1nccc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)c1F 1835928413 OHFDGEDMDAEFBD-JOCHJYFZSA-N 473.266 -0.707 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)c3noc4c3CCCC4)C2)C1 1835935495 HSGQILVUBQMCEX-HSZRJFAPSA-N 469.303 -0.383 50 20 JBGD CC(C)(C)n1cc(C(=O)N2CCOC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)nn1 1835938062 HZYSQJMILOODRR-QFIPXVFZSA-N 471.323 -0.903 50 20 JBGD CN(C)c1cccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)c1 1835939013 BIPFJTFCMPLMIJ-DEOSSOPVSA-N 467.331 -0.184 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3cnn(C)c3)CCO2)C1 1835987133 XQHYRIQIDWVSTE-NWJFTTBMSA-N 485.545 -0.057 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4cccnn4c3)C2)C1 1837459709 MKYPVFVKVKWTKZ-QHCPKHFHSA-N 479.497 -0.283 50 20 JBGD C[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1840031866 FFMZTJKEEUTQNN-FZKQIMNGSA-N 455.114 -0.780 50 20 JBGD CCS(=O)(=O)N1CCC(C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)CC1 749969542 IHAUHSKEFJUDEE-MRXNPFEDSA-N 455.489 -0.421 50 20 JBGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)CNS(=O)(=O)c2cnn(C)c2)c1 915635654 VQEYOVHXZHEVDO-UHFFFAOYSA-N 472.549 -0.810 50 20 JBGD NS(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)c1 920259819 PSJSWHUWAVNGES-UHFFFAOYSA-N 496.571 -0.462 50 20 JBGD O=C(Cc1cnc2ccccn12)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1784045260 GZPBCZCCATUSGT-YYWHXJBOSA-N 462.315 -0.150 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(-n4cncn4)c3)C[C@@H]21)c1ccc(B(O)O)cc1 1786981931 QEHWEBLBHNMOOZ-NYVOZVTQSA-N 475.314 -0.146 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCOC3=O)C[C@@H]21 1787506809 OEJZNXQKICJLOH-GLYSVQQSSA-N 460.491 -0.448 50 20 JBGD COCCn1nccc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1 1788610196 IXLBWUXBLQXYIG-FNHZYXHNSA-N 471.518 -0.565 50 20 JBGD CN(CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnnn3C)C[C@@H]21)NC(=O)NCc1ccccc1 1789724992 VZTLKNCEXKAFAN-BJLQDIEVSA-N 484.561 -0.245 50 20 JBGD COCCOCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN(C)NC(=O)NCc3ccccc3)[C@H]2C1 1789726603 CUCDWDZZOUPYTC-ACRUOGEOSA-N 491.589 -0.025 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](F)Br)[C@H]2C1 1789926175 PTSGCDWQVXBMPW-NZPIUUIZSA-N 458.288 -0.031 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](CCO)NC(=O)OC(C)(C)C)C[C@@H]21 1791288125 ZZUZZJRQILWHPY-XSLAGTTESA-N 499.609 -0.385 50 20 JBGD Cc1c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)ccc2c1OCCO2 1795739085 UVFBGGBXNVHPCG-UPHUGPLXSA-N 466.299 -0.037 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)[C@H]1CN(Cc2ccccc2)CCO1 1797245249 GMHHNODCCMXBKR-CBJLPSGESA-N 493.369 -0.529 50 20 JBGD COC(=O)[C@H]1CC[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)CC1 1797748456 CVUAGBUARCMIBI-MOSFQMPWSA-N 473.530 -0.132 50 20 JBGD O=C(COc1cccnn1)Nc1nc2c(s1)C[C@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1826759816 NWDYLLVFMQYPRE-CQSZACIVSA-N 453.289 -0.082 50 20 JBGD Cc1cn(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)CBr)CCO3)c(=O)nc1O 1830545832 NLWKAMVCEOQXJM-BFUOFWGJSA-N 487.351 -0.255 50 20 JBGD CCC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCS(=O)(=O)CC3)C2)C1 1831640535 NJMXTDBWNHXWKQ-APWZRJJASA-N 466.000 -0.419 50 20 JBGD N[C@H](C(=O)N1CCC(N2CCC(NC(=O)c3cccc(B(O)O)c3)CC2)CC1)c1ccccn1 1834801163 RZEGDUMEDPKLDY-QFIPXVFZSA-N 465.363 -0.353 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)CCBr)CC2)CC1)[C@@H](O)N1CCOCC1 1835762682 YIXQIEHIHFRDGX-LJQANCHMSA-N 461.401 -0.006 50 20 JBGD C[C@@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(=O)n4[nH]cnc4n3)CCO2)C1 1835919374 SFMHPAZLGBTJRJ-KPZWWZAWSA-N 483.323 -0.481 50 20 JBGD N#Cc1ccc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)cc1 1835926576 SNXQLCHQFCHNMF-RUZDIDTESA-N 477.326 -0.059 50 20 JBGD Cc1cc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)ccn1 1835927118 GPBHKVVQPOTVLR-XMMPIXPASA-N 467.331 -0.227 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)c3cnc4ccc(F)cn34)C2)C1 1835931946 IQRRYLSMCUUDFJ-HSZRJFAPSA-N 482.277 -0.463 50 20 JBGD CC(C)(C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1)c1ccccn1 1835939866 LITDBBQUXBUWQX-DEOSSOPVSA-N 467.331 -0.191 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1837460283 ZNPHVLJKBBLUJH-CXAGYDPISA-N 474.287 -0.554 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3Cc4ccccc4CN3)C2)C1 1840183831 CEUWBWGOCCDHRN-YKSBVNFPSA-N 473.574 -0.470 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)C[C@@H](N)c3cccnc3)C2)C1 1840183929 IHSGLSMJSYAGKY-XMSQKQJNSA-N 462.551 -0.699 50 20 JBGD CC(=O)Nc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)ccn1 1840184404 KEJJPSMUWWWOKI-QFIPXVFZSA-N 476.534 -0.517 50 20 JBGD CC(=O)Nc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)o1 1840185967 XYDHWYHCOODRKN-NRFANRHFSA-N 465.507 -0.319 50 20 JBGD CN(CC(=O)N1CC2(CCCN2C(=O)c2cc(=O)n3[nH]cnc3n2)C1)NC(=O)NCc1ccccc1 1843009318 IVYKDKRELXJVFS-UHFFFAOYSA-N 493.528 -0.419 50 20 JBGD COC[C@@H](NC(C)=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C(C)=N/NC(=O)c2ccc[nH]2)C1 1778091121 NVRVTLQYIMEZNM-PVDPAYHFSA-N 490.561 -0.215 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)c3ccc(-n4c(O)nnc4O)cc3)C2)C1 1780201297 HAMHTFZWHJHBSA-QHCPKHFHSA-N 493.285 -0.884 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](O)CNC(=O)OC(C)(C)C)C2 1782210521 XVIJMVLZDXAVAV-SEPYTNNBSA-N 499.609 -0.241 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC[C@H](N)C(N)=O)[C@H]2C1 1786890105 KFSIURVBGLVWMN-UHEFJODHSA-N 491.501 -0.294 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(F)cc([N+](=O)[O-])c1)C2)c1cccc(B(O)O)c1 1795739726 GHJIBWFIZYARGI-CCWDJLKJSA-N 457.223 -0.069 50 20 JBGD CCOC(=O)N1CCC(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)CC1 1795741222 QHEUPHPQGVAIPB-OPVJXMOQSA-N 473.335 -0.562 50 20 JBGD N#Cc1cc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)ccc1F 1799325645 QCSHGRDXHRKHHG-OPMZPASUSA-N 451.263 -0.177 50 20 JBGD CN1CCN(C2(C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)c3cnccc3C(=O)NN)C4)CC2)CC1 1799976413 AZCQTDICXVYACA-BJWYYQGGSA-N 455.563 -0.283 50 20 JBGD C[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCS(=O)(=O)CC1)C2 1800757692 TUGBSORNYQZXNZ-XPCVCDNBSA-N 452.371 -0.910 50 20 JBGD COC(=O)[C@H]1CCC[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)C1 1800963290 CPPNXWZYDDIDFA-FABMQREXSA-N 458.320 -0.451 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)[C@@H](O)N2CCOCC2)[C@H]1c1cccnc1 1813073448 MQPSJILRLWTEIP-DZFGPLHGSA-N 462.551 -0.889 50 20 JBGD C[C@H](C(=O)N[C@@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1)[C@@H]1SC(=N)NC1=O 1815354556 IJBDAXQRSWVMQZ-UAKXVISKSA-N 487.372 -0.149 50 20 JBGD CS(=O)(=O)c1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)nc1 1830724995 KSWQOPHKBKMBKR-YJBOKZPZSA-N 461.924 -0.845 50 20 JBGD O=C([C@H](O)CCl)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCc4nc(O)nc(O)c4C3)C2)C1 1830725934 MSJKPYZYFMZUOQ-URFZZILJSA-N 470.910 -0.951 50 20 JBGD Nc1c(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)sc2nccnc12 1835874150 RDRUIAMPYRUKRO-ZMZPIMSZSA-N 455.924 -0.057 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)[C@@H]3Cc4ccccc4CN3)C2)C1 1835928334 KXMIJHOUAXYDGI-WIOPSUGQSA-N 479.342 -0.849 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)c3cnc(Cl)s3)C2)C1 1835931375 PPIGSKMEGGNJAI-IBGZPJMESA-N 465.724 -0.140 50 20 JBGD Cc1cc(C)n2ncc(C(=O)N3CCOC[C@@]4(CN(C(=O)c5cccc(B(O)O)c5)CCO4)C3)c2n1 1835936771 CFKBIUNYIHRVHU-XMMPIXPASA-N 493.329 -0.590 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c[nH]nc4c3)C2)C1 1837457417 ABWZSGUSXBHROW-QHCPKHFHSA-N 479.497 -0.055 50 20 JBGD COc1nc(C)ccc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837458814 DVABYNRJPBGFQF-QHCPKHFHSA-N 484.513 -0.219 50 20 JBGD O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1837489479 INBOLQGVTCEXTC-XMMPIXPASA-N 470.331 -0.865 50 20 JBGD CC(C)[C@@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)CN(C)NC(=O)NCc3ccccc3)CCO2)C1 1839054122 IBSJVCGWOLCIPY-QPPBQGQZSA-N 491.589 -0.194 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cn4cc(F)ccc4n3)C2)C1 1840184246 FKQLMOMRKMLVBD-JOCHJYFZSA-N 476.509 -0.084 50 20 JBGD CC(C)n1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)n1 1840184774 ACAHTCNKBCLWSX-OAQYLSRUSA-N 450.540 -0.093 50 20 JBGD Cc1nn(C)c(C)c1CC(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840185460 QLXAJCBIPJKZPP-QFIPXVFZSA-N 464.567 -0.591 50 20 JBGD O=C(CCc1cccc(O)c1)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1840265969 JZUOIFJTEICLJM-DEOSSOPVSA-N 468.315 -0.225 50 20 JBGD C[C@@H](C(=O)N1CCCC12CN(C(=O)CN(C)NC(=O)NCc1ccccc1)C2)n1cnnn1 1846646980 WORDMUMJHIARMA-INIZCTEOSA-N 455.523 -0.216 50 20 JBGD COc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc2c(=O)oc3c4c(cc5c(=O)oc1c2c35)COO4 2090597407 GNCGYIJEMRKAFK-CGWYSGAGSA-N 490.373 -0.498 50 20 JBGD CSCC[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)N1CC[C@@H](B(O)O)C1 864233153 HJXXDYXMLYDKQE-SJLPKXTDSA-N 499.420 -0.366 50 20 JBGD O=C(NNC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@@H]2CCCO2)c1)N[C@H]1CCS(=O)(=O)C1 919886686 YLWINBUNSTXQTF-STQMWFEESA-N 494.979 -0.072 50 20 JBGD C[C@H](Cn1cncn1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cnccc1C(=O)NN)C2 1779499956 SAGNNFOUCBKTAI-YBOAYWMSSA-N 470.534 -0.260 50 20 JBGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(CCN(C(=O)Cc3cn4c(nc3=O)SCC4)C2)C1 1780940013 ODCVDUDFGLJPLT-AUUYWEPGSA-N 456.952 -0.025 50 20 JBGD CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]3C2)C1 1784095334 BEBJCKXFGXLBER-DQKQSUEQSA-N 475.970 -0.062 50 20 JBGD Cc1ccn2c(=O)c(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)c5cccc(B(O)O)c5)C[C@@H]43)cnc2c1 1788040511 ZIZAKDQVOLALPO-YYWHXJBOSA-N 490.325 -0.410 50 20 JBGD C[C@H](NC(=O)c1ccc(F)cc1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1789695428 ZIXMIDRHTXJLCZ-UYIIBVGGSA-N 497.332 -0.083 50 20 JBGD C=C(Oc1ccccc1O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795739098 VRDRRXNAFUKFOV-UPHUGPLXSA-N 452.272 -0.132 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3c(n1)OCCO3)C2)c1cccc(B(O)O)c1 1795739138 XQUADULDAVBMHE-CCWDJLKJSA-N 453.260 -0.950 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1cn2c(F)cccc2n1 1799998036 LGDSJMMWGUATLV-YVWYUNDQSA-N 452.251 -0.330 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1CCN(C(=O)[C@@H]2CCCS2(=O)=O)[C@@H]1c1cccnc1 1810305246 JPCAAAAQRPEROR-ZYSHUDEJSA-N 486.554 -0.023 50 20 JBGD NC(=O)c1nccnc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1820024961 PSFJWCVRAFGABK-OAHLLOKOSA-N 463.263 -0.402 50 20 JBGD CC(C)(C)OC(=O)N[C@]1(C(=O)N2CCOC[C@@]3(CN(C(=O)[C@H](O)CCl)CCO3)C2)CCOC1 1830733495 NLNKTVFEGZERRL-IPHXSNPTSA-N 491.969 -0.274 50 20 JBGD O=C(CCN1C(=O)C=CC1=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1832025714 KEYCELUYMFNTRD-NVXWUHKLSA-N 462.272 -0.552 50 20 JBGD Cc1nn(C)c(C)c1C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835927591 USXJYDUVTIUMRF-QFIPXVFZSA-N 456.308 -0.899 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)c3cccc4c3OCCO4)C2)C1 1835937417 VGHFACQIBAMAER-DEOSSOPVSA-N 482.298 -0.479 50 20 JBGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3n[nH]c4c3CS(=O)(=O)C4)CCO2)C1 1836259893 OWKPAVZDMKQIDS-ACJLOTCBSA-N 476.939 -0.838 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)c3cc(=O)n4[nH]nnc4n3)CC2)CC1)[C@H](F)Br 1836412270 BLALILFQPPVRQA-AWEZNQCLSA-N 485.318 -0.312 50 20 JBGD Cn1cccc(C(=O)N2CCC(OC3CCN(C(=O)c4cccc(B(O)O)c4)CC3)CC2)c1=O 1836969438 IXZUGRWMUHJLKT-UHFFFAOYSA-N 467.331 -0.009 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(CN(C(=O)c3ccn4cncc4c3)CCO2)C1 1837078207 ASSMMTMWRQQUIC-QHCPKHFHSA-N 479.497 -0.283 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc4c(c3)CNC4=O)CCO2)C1 1837149200 DVDFDPKIJOTIQT-XMMPIXPASA-N 494.508 -0.688 50 20 JBGD C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1)n1cccc1C=O 1837457603 KUOWKGIOZXYHQL-WAIKUNEKSA-N 484.513 -0.370 50 20 JBGD C[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)CCO2)C1 1839718905 UPUJOASYQVLORP-FZKQIMNGSA-N 487.307 -0.004 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3Cc4ccccc4CN3C)C2)C1 1840183045 ZTZDCIZSZPRULM-BWKNWUBXSA-N 487.601 -0.128 50 20 JBGD C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1)N1C[C@H]2C[C@H]2C1 1840184369 IPKPTDMSHCEBPW-QLDGJZPUSA-N 451.568 -0.844 50 20 JBGD COc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)c(O)c1OC 1840185851 ZFFVVVVKGOUHAU-HSZRJFAPSA-N 494.545 -0.148 50 20 JBGD CC(=O)N1CCN(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)C(Cl)Cl)CCO3)CC1 1840188648 VMMVAWNIHJUKRT-SFHVURJKSA-N 451.351 -0.589 50 20 JBGD C[C@H]1COCCN1CCNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 729615090 WYPRKMJSCBBFPU-HNNXBMFYSA-N 455.537 -0.628 50 20 JBGD Cn1nc(Br)c2c(=O)n(CC(=O)NNC(=O)COc3ccccc3O)cnc21 730780137 QCHMAPFKFPPLLA-UHFFFAOYSA-N 451.237 -0.176 50 20 JBGD COc1cc(OC)cc(C(=O)NCC(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)c1 802285859 NAONZXVREFPGQU-GOSISDBHSA-N 473.438 -0.036 50 20 JBGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)NCCCn1cncn1 916376932 WGZMRECCOUFHLW-UHFFFAOYSA-N 465.536 -0.348 50 20 JBGD CCc1ccc(C(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1S(=O)(=O)N1CCOCC1 919884958 ILHJDVUXXCDTRE-OAHLLOKOSA-N 474.561 -0.599 50 20 JBGD CN(CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1C=CCN1)CCO2)NC(=O)NCc1ccccc1 1780970549 XEOYJXXVLVWQGV-CVDCTZTESA-N 456.547 -0.310 50 20 JBGD COC(=O)[C@H]1CC[C@@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cnccc4C(=O)NN)[C@H]3C2)C1 1788607945 YDNPGURJPMBVFO-MUAMBBPCSA-N 473.530 -0.132 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc3c(c1)OCO3)C2)c1cccc(B(O)O)c1 1795737400 CMHUSUUIWGRHCQ-FAQVEIGNSA-N 452.272 -0.459 50 20 JBGD O=C(CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1)Nc1ccc(F)cc1 1795739684 AIKOQCVLSOUIMN-MFKICJERSA-N 469.278 -0.263 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1ccc(N2CCOCC2)cc1 1796489947 NWHLOXHGJSMPHJ-JHDGKUDLSA-N 479.342 -0.280 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)CCN2C(=O)C=CC2=O)[C@@H]1c1cccnc1 1803916953 MCUWXLQOEGOFDG-SBUREZEXSA-N 470.530 -0.225 50 20 JBGD C[C@H](C(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1)[C@@H]1SC(=N)NC1=O 1808395680 OQAHBJZGIDWIDE-FDARSICLSA-N 495.370 -0.117 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1CCN(C(=O)[C@@H]2CCNC(=O)C2)[C@H]1c1cccnc1 1810305382 KXCQBSMBVUZVOG-IIMJZQEZSA-N 465.514 -0.074 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)CN2C(=O)CNC2=O)[C@@H]1c1cccnc1 1813067861 GYNGNJXDPSJLJT-MGPUTAFESA-N 459.507 -0.988 50 20 JBGD O=C(CNC(=O)C(F)(F)F)N[C@@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815361372 BCNGYLWNDZYKNN-LLVKDONJSA-N 470.238 -0.273 50 20 JBGD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2cc3n(n2)CCNC3=O)[nH]n1)c1cccc(B(O)O)c1 1817473397 REYUSYPKLSEFAH-QGZVFWFLSA-N 477.290 -0.351 50 20 JBGD Cc1cn(CC(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc(B(O)O)c3)n[nH]2)c(=O)nc1O 1817479978 YGJNCGSICCRVTR-QGZVFWFLSA-N 480.290 -0.334 50 20 JBGD NC(=O)c1nccnc1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827052622 SMNNCLAHMHKKOV-GOSISDBHSA-N 465.319 -0.198 50 20 JBGD Cc1cc2nnc(C(=O)N3CCOC[C@]4(C3)CN(C(=O)[C@@H](O)CCl)CCO4)c(C)n2n1 1830728473 UBHJEELZPZCADI-IFXJQAMLSA-N 452.899 -0.589 50 20 JBGD CC(=O)N/C(=C\c1ccco1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830732858 BXEFPFATEGNRKX-LDDXFTKCSA-N 455.895 -0.187 50 20 JBGD Cc1nc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)c(C)s1 1833149079 VRVVWUBRJGAILY-JOCHJYFZSA-N 473.360 -0.248 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1)c1ccc(O)nn1 1834070127 HCOWQWUMDSGHRU-UHFFFAOYSA-N 453.308 -0.639 50 20 JBGD C[C@H](Cn1cncn1)C(=O)N1CCC(N2CCC(NC(=O)c3cnccc3C(=O)NN)CC2)CC1 1835737884 LJYLIRIJMQLWBP-MRXNPFEDSA-N 483.577 -0.202 50 20 JBGD CC(C)(C)OC(=O)CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835934201 PPIACGCYSAKMBL-QFIPXVFZSA-N 462.308 -0.832 50 20 JBGD CC(=O)Nc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)cc1 1835937406 UGIPVQZXCNHOQV-VWLOTQADSA-N 495.341 -0.363 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)c3c(F)cncc3F)C2)C1 1835938528 XLWDYWXGMZOWDH-NRFANRHFSA-N 461.230 -0.577 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCC(N2CCC(NC(=O)c3cc(=O)nc4cccnn34)CC2)CC1 1836101120 DRLHVMHJKZVZFK-UHFFFAOYSA-N 498.588 -0.352 50 20 JBGD C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1)N1C[C@H]2C[C@H]2C1 1837287388 SSVRIMLPGFZEAE-JGDUNROCSA-N 472.546 -0.905 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3nccc4nc[nH]c34)C2)C1 1837457646 MECGXNPDWXWLBG-JOCHJYFZSA-N 480.485 -0.660 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccccc3F)C2)C1 1837460620 HVWXEUQBIFQCNG-HSZRJFAPSA-N 487.488 -0.027 50 20 JBGD O=C(c1ccc([N+](=O)[O-])c2c1OCO2)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1838626136 IYSULNOQHAMZMT-IFXJQAMLSA-N 471.850 -0.007 50 20 JBGD CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](C)Br)CCO2)C1 1840036041 CKENMKGKJMBLAK-VVFCZOMOSA-N 486.367 -0.303 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1C[C@@]13C(=O)Nc1ccccc13)CCO2 1840037985 BOHFXYWZBVGMFG-WDNCENIBSA-N 499.568 -0.274 50 20 JBGD COc1ccc(COCC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)cc1 1840253787 ILIOKKCIGYSDSA-VWLOTQADSA-N 498.341 -0.338 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC2(CCCN2C(=O)[C@@H]2C[C@H](O)CN2C(=O)OC(C)(C)C)C1 1843105237 ORVALQLECQRVTB-HOTGVXAUSA-N 467.567 -0.067 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCCC12CN(C(=O)[C@@H]1C[C@H](O)CN1C(=O)OC(C)(C)C)C2 1846384700 YALKEGFIXVYLNH-HOTGVXAUSA-N 467.567 -0.067 50 20 JBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cc(S(=O)(=O)NC2CC2)ccc1Br 729274918 HMDULRZGCTVUEI-MRVPVSSYSA-N 483.366 -0.412 50 20 JBGD CC(C)NC(=O)C(=O)NNC(=O)CS(=O)(=O)CC(=O)Nc1cccc(Br)c1 915828089 LKAXEIMYZRHKNO-UHFFFAOYSA-N 463.310 -0.526 50 20 JBGD O=C1Nc2c(cccc2C(=O)N2CC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)C1=O 1778709448 CXINZQFGKGURQH-HSZRJFAPSA-N 463.255 -0.742 50 20 JBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](O)CCl)C2)c1cc2n(n1)CCCNC2=O 1778916646 BCAHYODRAASSNW-RZQQEMMASA-N 453.927 -0.256 50 20 JBGD COC[C@@H](NC(C)=O)C(=O)N1CC[C@]2(CN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)CCO2)C1 1779312372 GDLRNCLQNDKJRO-XGHYCODVSA-N 462.507 -0.899 50 20 JBGD CCS(=O)(=O)CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnccc2C(=O)NN)C1 1779371136 HGADRRVBLUSAMA-OXQOHEQNSA-N 467.548 -0.753 50 20 JBGD Cn1ccc2c(O)ncc(C(=O)N3CC[C@]4(CN(C(=O)c5cccc(B(O)O)c5)CCO4)C3)c21 1779975705 NBEAOJWZGAOVOW-HSZRJFAPSA-N 464.287 -0.284 50 20 JBGD CC(=O)N[C@H](Cc1cccc(F)c1)C(=O)N1CC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1785453664 CPJJMOSSFJQGQA-RDGATRHJSA-N 497.332 -0.304 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)COc3ccc(O)cc3)C[C@@H]21)c1cccc(B(O)O)c1 1786983730 XNKNRHZIMSXBIV-NDXORKPFSA-N 454.288 -0.256 50 20 JBGD COC(=O)[C@@H]1CC=CC[C@H]1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786986671 XJHXYVUBVANKLA-MYGYKHERSA-N 470.331 -0.285 50 20 JBGD C[C@@H](NC=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN(C)NC(=O)NCc3ccccc3)[C@H]2C1 1789726595 CENBJQUSZAKPMA-GTAWCEEGSA-N 474.562 -0.553 50 20 JBGD CN(CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCC(=O)N3)C[C@@H]21)NC(=O)NCc1ccccc1 1789726695 NLNZMYUIBRVQIP-HAGHYFMRSA-N 486.573 -0.409 50 20 JBGD C[C@@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(=O)n3[nH]nnc3n1)C2 1792867839 MRHDZZOKHKOHSE-XHSYRHOGSA-N 454.285 -0.953 50 20 JBGD CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)CCl 1792983053 AGZUTUHQCNTTCN-AICCOOGYSA-N 477.942 -0.368 50 20 JBGD NC[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2)c1ccccc1 1795674290 VZHJSPXJPCKCFR-YNVMFWSZSA-N 452.515 -0.369 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)[C@@H]1CCc2ccccc2O1 1800947727 CUWDLKLUIQZCJL-UDKICSLYSA-N 450.300 -0.037 50 20 JBGD CC(=O)OC[C@H](OC(C)=O)C(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807361689 UCQIUKSQURJKIM-BAGYTPMASA-N 497.313 -0.424 50 20 JBGD CS(=O)(=O)CCC(=O)NC[C@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1813574305 ACXCHKAAUWHYOA-DNVCBOLYSA-N 474.543 -0.166 50 20 JBGD C=CCNC(=O)/C=C\C(=O)N[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815335657 JCQWADAORYAPCT-FJVVXJACSA-N 454.317 -0.093 50 20 JBGD N#Cc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)cc1 1829904707 VBTNJDMMRARZQR-DEOSSOPVSA-N 478.509 -0.131 50 20 JBGD O=C(c1ccc([N+](=O)[O-])c2c1OCO2)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830731429 JRJAZGAMGDPYDF-AUUYWEPGSA-N 471.850 -0.007 50 20 JBGD C[C@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CC(=O)NC3=O)CCO2)C1 1832471963 RIOHKMRLNIPUTF-SJKOYZFVSA-N 461.313 -0.974 50 20 JBGD CN(C)CC(=O)N1CCO[C@@]2(COCCN(C(=O)CN(C)NC(=O)NCc3ccccc3)C2)C1 1834945288 YQGYDLZKDQTFII-HSZRJFAPSA-N 476.578 -0.649 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)[C@H]3Cc4ccccc4O3)C2)C1 1835937075 NSVJJMIDPSWEPB-QPPBQGQZSA-N 466.299 -0.560 50 20 JBGD C[C@@](Cl)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835939030 BZIJXNVEUXQCOM-RTBURBONSA-N 459.135 -0.327 50 20 JBGD C[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835940022 TUKXNOLZMRJUQB-ACJLOTCBSA-N 455.114 -0.780 50 20 JBGD CCNC(=S)NCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)Br)C2)C1 1839655535 DPCULHFROCMBHM-LRDDRELGSA-N 451.387 -0.290 50 20 JBGD C[C@@H](Cc1ccco1)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1840469290 HYKRTRZIIAUHRW-SBUREZEXSA-N 456.304 -0.092 50 20 JBGD N#Cc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1840819148 RTIZVHQCQZOQIU-XMMPIXPASA-N 479.298 -0.613 50 20 JBGD C[C@@H](NC(=O)c1ccccc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1840903177 PZJNEHHPCZXIAH-HOYKHHGWSA-N 489.573 -0.366 50 20 JBGD CC(C)(C)OC(=O)N[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1)C(C)(C)O 1840916725 ZSVIXGHDCOTSNR-PZPWOCDFSA-N 493.985 -0.293 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccnc3CS(C)(=O)=O)[C@H]2C1 1785685509 QHUSQCOUTKFICZ-IEZWGBDMSA-N 495.602 -0.408 50 20 JBGD CNC(=S)NCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C(C)=N/NC(=O)c3ccc[nH]3)[C@H]2C1 1787508725 PUSBSNHHDXQRJN-SKIHNHESSA-N 477.591 -0.416 50 20 JBGD O=C(/C=C/C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1)NCc1ccco1 1795734202 IVXXDPIOACYKHQ-AOXIVVNTSA-N 467.287 -0.965 50 20 JBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C[C@@]13C(=O)Nc1ccccc13)C2 1797754091 UEUHVIZSWGRZJU-JQVVIGKDSA-N 490.520 -0.202 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)CS(=O)(=O)N2CCCC2)[C@@H]1c1cccnc1 1808412118 LHLQNCDFRDGDAW-GCJKJVERSA-N 494.618 -0.114 50 20 JBGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)COc2ccc(O)nn2)[nH]n1)c1cccc(B(O)O)c1 1817477323 SMWGNWNQLIZCID-INIZCTEOSA-N 466.263 -0.030 50 20 JBGD CC(C)n1nc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)cc1C(=O)O 1830726422 YOPKKWDHJHLXBD-DNVCBOLYSA-N 458.899 -0.168 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ncc(F)cc1F)CCO2 1831965895 LVIGLIXYOVZNQF-OAQYLSRUSA-N 476.440 -0.258 50 20 JBGD Cc1ccccc1NCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1835863024 UXUKLPHQXYJEOG-DEOSSOPVSA-N 467.331 -0.143 50 20 JBGD C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1)N1CSCSC1 1835930419 ILHASKSIADRLGT-IERDGZPVSA-N 495.432 -0.521 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)C3CCC4(CC3)OCCO4)C2)C1 1835940136 VMRPSQMYPUJJRY-HSZRJFAPSA-N 488.346 -0.630 50 20 JBGD C[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1)n1cccc1C=O 1835955520 KLQCBKLCHFDBAA-HJPURHCSSA-N 484.513 -0.370 50 20 JBGD C[C@H](C(=O)N1CCC(OC2CCN(C(=O)c3cnccc3C(=O)NN)CC2)CC1)n1cnnn1 1838395387 KYUJPPUSTHICKM-CQSZACIVSA-N 471.522 -0.455 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnc(O)c3ccn(C)c13)CCO2 1838439945 JSSFLOSAEIHAST-QHCPKHFHSA-N 488.545 -0.278 50 20 JBGD Cc1cn(CC(=O)N2CCC(OC3CCN(C(=O)CCC(=O)NN(C)C)CC3)CC2)c(=O)nc1O 1838789089 HOKWUTLSEQSSTF-UHFFFAOYSA-N 492.577 -0.371 50 20 JBGD CCOC(=O)O[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1839685842 CUTLNLHSENKPPS-FOIQADDNSA-N 458.512 -0.623 50 20 JBGD CN(CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@](C)(Cl)CCl)C2)C1)C(=O)C(=O)O 1839703889 LJBYLOFJWDLDPQ-IAGOWNOFSA-N 454.307 -0.778 50 20 JBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)CCNS(=O)(=O)c1ccc(Br)cc1 729276928 OLZABCQCQLOZJM-VIFPVBQESA-N 471.355 -0.797 50 20 JBGD O=C(NCCS(=O)(=O)N1CCN(c2ccccn2)CC1)NNC(=O)[C@H]1COc2ccccc2O1 916516244 HHYGZKIFRIBPIU-GOSISDBHSA-N 490.542 -0.296 50 20 JBGD CC(=O)N(C)[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnccc2C(=O)NN)C1 1779373143 GDSHLVIIOAVRQX-GKIWIXTESA-N 460.535 -0.321 50 20 JBGD CNC(=S)NCCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cnccc1C(=O)NN)C2 1779377394 HSJNCPQGVITMIL-IIBYNOLFSA-N 477.591 -0.703 50 20 JBGD CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)N1CC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1781012658 ACYOSKAABRWIMN-WZONZLPQSA-N 473.335 -0.181 50 20 JBGD CSCC[C@@H](O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2 1782227487 KEJHUONMCOQPRL-DBXWQHBBSA-N 450.366 -0.392 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc(-n3c(O)nnc3O)cc1)CCO2 1783935416 RHCQGFAJOXQGSV-QFIPXVFZSA-N 487.517 -0.505 50 20 JBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C2)C1 1785609160 QWUXXAIFWDLMQG-PJSUUKDQSA-N 476.958 -0.161 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C[C@@H]21)c1ccc(B(O)O)cc1 1786979945 RTQJCZOXAFUQBE-XJABCFGWSA-N 490.325 -0.247 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=O)C(F)(F)F)C[C@@H]21 1787508229 QXVDGJZASHGNIC-BAKRTHJDSA-N 486.451 -0.221 50 20 JBGD O=C(NC1(c2ccc(NC(=O)c3cc(=O)n4[nH]nnc4n3)cc2)CCC1)c1ccc(B(O)O)cc1 1788409136 GEWIJLFXHGFJGD-UHFFFAOYSA-N 473.258 -0.446 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=C\C(=O)NC3CC3)[C@H]2C1 1788493881 KDBCTKPGHNCAPI-XFFIELSNSA-N 470.530 -0.065 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CS(C)(=O)=O)C2 1793880640 CNXIJRPDTJQCAD-XFMPKHEZSA-N 467.972 -0.247 50 20 JBGD COC[C@@H](Cl)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 1794251008 CQKSGBXZIDMOCW-XJFOESAGSA-N 466.926 -0.674 50 20 JBGD COc1ncc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)cc1F 1794364307 IPCGPTHTBYMDQM-FVCICTRLSA-N 458.450 -0.255 50 20 JBGD CC(C)(C)OC(=O)N1[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)C[C@@H]2C[C@@H]21 1795737805 VFDVHHOFDSNFAC-ICLLYECISA-N 499.373 -0.033 50 20 JBGD C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795741358 WHNGNJPPXWJMNX-PIKOESSRSA-N 485.346 -0.514 50 20 JBGD CN(CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](N)CCC(N)=O)NC(=O)NCc1ccccc1 1795978493 CBKLOUWVXOTVAF-RDGPPVDQSA-N 473.578 -0.436 50 20 JBGD O=C(NC[C@H]1CCN(C(=O)CSc2nc[nH]n2)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807363795 BSAZZCWCCWOSLC-APWZRJJASA-N 466.332 -0.009 50 20 JBGD O=C(COc1ccc(O)nn1)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1812351007 KVUGKRFGPZISFO-HTAPYJJXSA-N 477.286 -0.344 50 20 JBGD CC(C)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4n(n3)CCNC4=O)C2)C1 1830358895 FZVLOWDMWAMRMH-HXUWFJFHSA-N 453.927 -0.039 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830728309 RKOQDEOOKRLQCG-CJQZZXQMSA-N 455.899 -0.824 50 20 JBGD CCS(=O)(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1 1831324302 RWOULNASSCNVTL-MAUKXSAKSA-N 465.645 -0.378 50 20 JBGD CN[C@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)CBr)C2)C1)C(=O)O 1835752843 UZVZGVIPCOCQJV-AHIWAGSCSA-N 450.330 -0.464 50 20 JBGD O=C1CCc2ccc(C(=O)N3CCOC[C@@]4(CN(C(=O)c5ccc(B(O)O)cc5)CCO4)C3)nc2N1 1835928627 SZYZIXIZVPYWCF-XMMPIXPASA-N 494.313 -0.970 50 20 JBGD CN(C)c1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)nc1 1835929123 ARUAUMIYVPSHOZ-HSZRJFAPSA-N 468.319 -0.789 50 20 JBGD C[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1)c1ccc(O)cc1 1835939105 FLBKJXKNKVOBGV-OSPHWJPCSA-N 468.315 -0.054 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(CN(C(=O)c3cc4n(n3)CCCC4)CCO2)C1 1836977149 FPMUWKRCTGDNFU-HSZRJFAPSA-N 483.529 -0.398 50 20 JBGD Cc1cccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)n1 1837457147 WWOQIGXXSCNVCW-JOCHJYFZSA-N 454.487 -0.228 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4c3CCCC4)C2)C1 1837457642 MCYFCEONSXZISN-HSZRJFAPSA-N 483.529 -0.329 50 20 JBGD O=C(COc1ccc(O)nn1)N1CCC(OC2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1837920013 BRZCQQCFZSEXFT-UHFFFAOYSA-N 484.318 -0.447 50 20 JBGD Cc1n[nH]c(C)c1CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1839239921 LLHIHFABUKCGFS-QFIPXVFZSA-N 456.308 -0.981 50 20 JBGD CC[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CC(=O)NC3=O)C2)C1 1839962884 UGDGMYMRZDDRNF-YVEFUNNKSA-N 461.313 -0.832 50 20 JBGD COCc1oncc1C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840184618 XOHOUZPRXKOEIA-HXUWFJFHSA-N 453.496 -0.736 50 20 JBGD COc1ccc(F)cc1CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1840250296 PTKFDRPPXXGZLG-DEOSSOPVSA-N 486.305 -0.173 50 20 JBGD CC(=O)Nc1ccccc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1840723434 GTEYDSZMMBKAIR-XMMPIXPASA-N 481.314 -0.291 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC2(CCCN2C(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)C1 1845108796 SJSUJBSXKDLCOV-CVEARBPZSA-N 467.567 -0.209 50 20 JBGD COC(=O)N1CCC[C@@H](NC(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)C1 726717389 UHUSYKFDFYIDCI-CQSZACIVSA-N 455.541 -0.125 50 20 JBGD O=C(COC(=O)c1ccc(N2NC(=O)CCC2=O)cc1)NNC(=O)[C@H]1COc2ccccc2O1 728333540 IQNUNYLALIUFKP-QGZVFWFLSA-N 468.422 -0.011 50 20 JBGD CCN(CC)S(=O)(=O)c1ccc(N2C[C@@H](C(=O)NNC(=O)C(=O)N3CCCC3)CC2=O)cc1 748246928 HTSDJPKTDOMCDZ-HNNXBMFYSA-N 479.559 -0.160 50 20 JBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)CCNS(=O)(=O)c2cccnc2)c1 914829978 MFINUVGEURMMRX-UHFFFAOYSA-N 455.518 -0.539 50 20 JBGD COc1cc2c(cc1OC)[C@@H](CC(=O)NNC(=O)Cn1ccccc1=O)N(S(C)(=O)=O)CC2 916558543 TWBFMUIQWBHXFG-MRXNPFEDSA-N 478.527 -0.038 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc4nc(CO)[nH]c4c3)C2)C1 1777706222 ONDGJHCBEROGST-QFIPXVFZSA-N 458.519 -0.128 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)c3cn4ncccc4n3)C2)C1 1777952204 XNMWDUCONGXECR-NRFANRHFSA-N 450.459 -0.515 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)c3cc(-c4ccccn4)[nH]n3)C2)C1 1779627161 AFAGZLYYXNHWRI-QHCPKHFHSA-N 461.287 -0.091 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](O)N1CCOCC1)CCO2 1780097608 AFJQZRIDGSSZNJ-RBBKRZOGSA-N 492.485 -0.386 50 20 JBGD C[C@@H](NC(=O)c1ccc(F)cc1)C(=O)N1CC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1780904450 IUFAKMSMTNKHHN-VOIUYBSRSA-N 483.305 -0.233 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3O)C2)C1 1781116065 ZUHQLVDYVKPYNG-SEPYTNNBSA-N 497.593 -0.583 50 20 JBGD CN1CCCn2nc(C(=O)N3CC[C@]4(CN(C(=O)c5ccc(B(O)O)cc5)CCO4)C3)cc2C1 1782562199 NXALSIURHTTWHH-HSZRJFAPSA-N 467.335 -0.844 50 20 JBGD C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](Cc1ccc(B(O)O)cc1)NC(=O)OC(C)(C)C)CCO2 1783049351 UZAHHDULLMKAGR-YADARESESA-N 485.346 -0.735 50 20 JBGD C[C@@H](Nc1cnccn1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786979651 HPUXMGOUZXLRFI-XIVBQZFQSA-N 453.308 -0.750 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)NC(=O)OC(C)(C)C)[C@H]2C1 1790177109 NUMUWCQFSHWOOM-XLPNERPQSA-N 471.555 -0.818 50 20 JBGD COC[C@@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)C[C@@H]21 1791253492 BOTKVOVIGCOBJC-NXOAAHMSSA-N 466.000 -0.109 50 20 JBGD C[C@H](CC(N)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN(C)NC(=O)NCc1ccccc1)C2 1793432117 KWKOPMFGNLBUFE-LAVAIGHBSA-N 474.562 -0.566 50 20 JBGD CN(CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ncccn1)C2)NC(=O)NCc1ccccc1 1799094919 JZENPOXUBMJFDM-BBIADKPPSA-N 481.557 -0.045 50 20 JBGD CC(C)(C)OC(=O)N[C@@]1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](O)CCl)C3)CCOC1 1799331633 XQQJPCNUHKHMLZ-UPYQZRRNSA-N 461.943 -0.141 50 20 JBGD CCS(=O)(=O)N[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807359248 GJHMGAYBEVGBDH-ZTNFWEORSA-N 488.375 -0.591 50 20 JBGD O=C([C@H](O)N1CCOCC1)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827058002 OWNBXIKZTQIICR-REWPJTCUSA-N 459.352 -0.750 50 20 JBGD C[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1)C1(O)CCC1 1829741737 XDAXULQSORBSAJ-BTYIYWSLSA-N 461.519 -0.694 50 20 JBGD COc1cc(C(=O)NC2CCN(C3CCN(C(=O)c4cnccc4C(=O)NN)CC3)CC2)n(C)n1 1833955183 ZZHJCSMHNITFSZ-UHFFFAOYSA-N 484.561 -0.074 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cncnc1)CCO2 1834303406 IWBMADGICMBXPV-JAMLUQCHSA-N 455.475 -0.319 50 20 JBGD Nc1ncc(C(=O)N2CCC(N3CCC(NC(=O)c4cccc(B(O)O)c4)CC3)CC2)s1 1834801001 HBUPROFMCILFTC-UHFFFAOYSA-N 457.365 -0.096 50 20 JBGD C[C@H](C(=O)NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1)N1C[C@@H]2C[C@H]2C1 1835669888 OFXHZRXATLUMCE-HOJAQTOUSA-N 468.407 -0.108 50 20 JBGD O=C(Cn1cnc2ccccc21)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835932253 WMVDCOOJLUAPDZ-XMMPIXPASA-N 478.314 -0.514 50 20 JBGD CCNC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1837381131 NGBNUACPIZWGPF-WQGACYEGSA-N 453.309 -0.159 50 20 JBGD C[C@@H](C(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1)N1C(=O)NC2(CCCC2)C1=O 728341843 JGTWHGWGTXLXRH-WFASDCNBSA-N 460.443 -0.230 50 20 JBGD CN1CCN(S(=O)(=O)N2CCN(C(=O)NNC(=O)Cn3ccc4ccccc43)CC2)CC1 729507006 LWSQSUKYXXZHHP-UHFFFAOYSA-N 463.564 -0.508 50 20 JBGD CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NNC(=O)CCN3C[C@H](C)O[C@@H](C)C3)c2)CC1 912920146 VXUCSUCAGMSOOG-IRXDYDNUSA-N 495.602 -0.200 50 20 JBGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)NCCNC(=O)c1ccco1 916259484 JSMMGMPZWXRVRN-UHFFFAOYSA-N 493.542 -0.007 50 20 JBGD Cn1c(=O)n(C)c2cc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)c5cccc(B(O)O)c5)[C@H]4C3)ccc21 1786982859 FQTNMSZPSLIXSC-JLMWRMLUSA-N 492.341 -0.536 50 20 JBGD COC(=O)[C@H]1CC=CC[C@@H]1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1791236695 XXCYVTNRWWNDKT-MQBSTWLZSA-N 470.331 -0.285 50 20 JBGD CS(=O)(=O)c1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)c1 1792697392 HRUJJTDPEBHEMV-CCWDJLKJSA-N 487.538 -0.394 50 20 JBGD CC(C)[C@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN(C)NC(=O)NCc1ccccc1)C2 1793078471 OOZFPTGQBXWCCT-YHELAOLJSA-N 461.563 -0.061 50 20 JBGD O=C(NC[C@H]1CCN(C(=O)c2cc(=O)nc3cccnn23)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807363231 YZFAXTVICASFTO-WZONZLPQSA-N 498.308 -0.202 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)CS(=O)(=O)N2CCCC2)[C@H]1c1cccnc1 1808412121 LHLQNCDFRDGDAW-PGRDOPGGSA-N 494.618 -0.114 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](O)N2CCOCC2)[C@H]1c1cccnc1 1808417965 UOMHZEOKCSOQHE-UAEQWWERSA-N 497.556 -0.128 50 20 JBGD COC[C@H](NC(C)=O)C(=O)NC[C@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1810566799 SVXBUDNSHVIDGK-UXPWSPDFSA-N 483.529 -0.449 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)CN2C(=O)C=CC2=O)n[nH]1 1822529149 HTRCXHUPNPANEO-HNNXBMFYSA-N 466.458 -0.361 50 20 JBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1CCc2nc(NC(=O)Cn3ccncc3=O)sc2C1 1824535805 CTKNUANYEDASEW-LLVKDONJSA-N 468.499 -0.376 50 20 JBGD CN(CC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1)C(=O)C(=O)O 1827060529 NPRGNMOJUYPACP-GOSISDBHSA-N 459.308 -0.857 50 20 JBGD O=C([C@H](O)CCl)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCc4nc(O)nc(O)c4C3)C2)C1 1830725929 MSJKPYZYFMZUOQ-PGICJIBASA-N 470.910 -0.951 50 20 JBGD Cc1cccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)n1 1830917805 RAIFLSVEFYFYGB-QHCPKHFHSA-N 453.304 -0.617 50 20 JBGD Cc1nscc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1833746239 RKMSVSYCMYBDNS-HXUWFJFHSA-N 460.516 -0.166 50 20 JBGD CN(CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccnnc1)CCO2)NC(=O)NCc1ccccc1 1834031643 FCGGLCSVPNDVQN-DEOSSOPVSA-N 497.556 -0.107 50 20 JBGD CC(C)(C)OC(=O)N[C@H](CCN)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1835640459 LOOZPSAHYVBSDG-QEEYODRMSA-N 478.974 -0.715 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)c3c[nH]c4ncccc34)C2)C1 1835928118 DVDKWOQPLSBJLP-QHCPKHFHSA-N 464.287 -0.374 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)c3snnc3C3CC3)C2)C1 1835928710 WJTYWBWCUUOURQ-NRFANRHFSA-N 472.332 -0.521 50 20 JBGD CC(=O)Nc1cccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)c1 1835934570 ZCKWNJYCVVDGBB-DEOSSOPVSA-N 481.314 -0.291 50 20 JBGD O=C(Cc1cc(F)ccc1F)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835941127 INATZSJIHQXNPQ-HSZRJFAPSA-N 474.269 -0.043 50 20 JBGD COC(=O)CSCC(=O)N1CCC(OC2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1836869707 BYJMSZAZSAFSJM-UHFFFAOYSA-N 478.376 -0.115 50 20 JBGD C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1)n1ccccc1=O 1837459628 UBAORDQJMGXAJK-WAIKUNEKSA-N 484.513 -0.822 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc3ncsc3[nH]1)CCO2 1837750308 WDNZUTODTXYSOJ-OAQYLSRUSA-N 470.316 -0.312 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccccc1-n1nccn1)CCO2 1839380012 UHIBKECBSSXYCB-XMMPIXPASA-N 491.313 -0.669 50 20 JBGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3CCN(S(C)(=O)=O)CC3)C2)C1 1840152318 FIYPCRZDAKLCRM-VQIMIIECSA-N 481.999 -0.632 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(C(F)(F)F)cn3)C2)C1 1840184056 PISPDYSIIVHFSM-IBGZPJMESA-N 488.467 -0.062 50 20 JBGD Cc1cc(C)n(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)n1 1840346401 TXXKEHIJMAVEFZ-QHCPKHFHSA-N 470.335 -0.660 50 20 JBGD CN(CC(=O)N1CC2(CCCN2C(=O)CN2C(=O)CNC2=O)C1)NC(=O)NCc1ccccc1 1841848059 LAHQXEXIDYQWKR-UHFFFAOYSA-N 471.518 -0.912 50 20 JBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 729274931 HUFMHALPUZMBOH-ZDUSSCGKSA-N 472.589 -0.339 50 20 JBGD NC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)NNC(=O)[C@H]3Cc4ccccc4O3)CC2)o1 748341760 MMOFHGMQOYKXOU-OAHLLOKOSA-N 463.472 -0.571 50 20 JBGD CC(C)n1nc(C(=O)NNC(=O)c2cc3c(=O)n(C)c(=O)n(C)c3n2C)c2ccccc2c1=O 919692261 JXTSVJGMQCTJNC-UHFFFAOYSA-N 465.470 -0.059 50 20 JBGD Cn1c(=O)c(C(=O)N2CC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)nc2ccccc21 1777888838 XMROSFNBDGSCID-XMMPIXPASA-N 476.298 -0.629 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1779032786 YLIOBBLCAWQLGL-JCFVMIBISA-N 460.491 -0.342 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](O)N3CCOCC3)C2)C1 1779096676 WWOCXSOJSFTERP-RBBKRZOGSA-N 492.485 -0.386 50 20 JBGD CCOC(=O)N[C@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](CCl)NC(=O)OC(C)(C)C 1793879741 CSTSDIRWRUIASG-HCZIRCDUSA-N 492.957 -0.227 50 20 JBGD C[C@H](NC(=O)c1ccc(F)cc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1799048513 KJNVJKANSODWNK-HEFCWWFNSA-N 483.305 -0.473 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@H](CNC(=O)c2c[nH]c(=O)cn2)[C@H]1c1cccnc1 1811449466 OKPPRZICYIBDRZ-IFXJQAMLSA-N 462.470 -0.203 50 20 JBGD O=C(CSc1nc[nH]n1)Nc1nc2c(s1)C[C@H](NC(=O)c1cccc(B(O)O)c1)CC2 1826667480 QQAOVCRWDYOTKF-GFCCVEGCSA-N 458.334 -0.041 50 20 JBGD NC(=O)NCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@H](O)CCl)C2)C1 1829471559 LRXYWWNWDNNWRZ-IIBYNOLFSA-N 481.937 -0.294 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(Cl)cnc1O)CCO2 1829564153 SKFPKONFPKDEQD-HXUWFJFHSA-N 469.926 -0.116 50 20 JBGD C[C@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1830544148 OJABKBMDAFRVCU-RDTXWAMCSA-N 463.373 -0.153 50 20 JBGD CC(C)n1nc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)cc1C(=O)O 1833609684 TXWMGJRQTFVONH-QFIPXVFZSA-N 494.549 -0.395 50 20 JBGD CC(C)(CCl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc4n(n3)CCNC4=O)CCO2)C1 1834561139 ZWLCEBMYQKDCDP-FQEVSTJZSA-N 453.927 -0.039 50 20 JBGD COc1cnc(C(=O)N2CCC(N3CCC(NC(=O)c4ccc(B(O)O)cc4)CC3)CC2)cn1 1834798025 WATWDMZLVCAHEE-UHFFFAOYSA-N 467.335 -0.336 50 20 JBGD CCOC(=O)N[C@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)CCBr)CCO2)C1 1834823340 OYBHGQNCKQLRAY-CJNGLKHVSA-N 452.302 -0.708 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1)c1cn2cccnc2n1 1835546445 LMJIFTDGISOUFP-UHFFFAOYSA-N 476.346 -0.092 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC1CCN(C2CCN(C(=O)[C@H]3CCC(=O)NC3)CC2)CC1 1835734425 GVYQGDDHZKESGT-HNNXBMFYSA-N 471.562 -0.604 50 20 JBGD O=C(C[C@H]1COc2ccccc2O1)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835934360 XSCUXVHSDWEXHX-CPJSRVTESA-N 496.325 -0.334 50 20 JBGD Cc1ccccc1NCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835935998 ZOEWHSNHLQFCED-XMMPIXPASA-N 467.331 -0.143 50 20 JBGD CCc1[nH]nc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)c1Cl 1836227355 VRYWAHVAJJVDNC-NRFANRHFSA-N 476.726 -0.311 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc3c(c1)CNC3=O)CCO2 1837152580 AILSRVQZPXSTAC-HSZRJFAPSA-N 473.530 -0.627 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCC(OC2CCN(C(=O)[C@H](O)N3CCOCC3)CC2)CC1 1838404282 DSDPLAFSDQTPRY-QFIPXVFZSA-N 469.583 -0.991 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3CNC(=O)C3)CCO2)C1 1839867296 HYPWRJAVNPNXIZ-VFCRVFHLSA-N 488.969 -0.289 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)Cc1ccccc1)CCO2 1839960647 NZIYRHRDFWKZCU-XXBNENTESA-N 462.547 -0.581 50 20 JBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1 729276076 WPWFKVVPGUZLHE-QLKUMGTLSA-N 458.562 -0.216 50 20 JBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NCCS(=O)(=O)N2CCSCC2)cc1 730675334 WZUNQXYYMXUXIB-UHFFFAOYSA-N 493.633 -0.675 50 20 JBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2cccc(CS(N)(=O)=O)c2)cc1 749718789 HITWNLBMJCNEFV-UHFFFAOYSA-N 454.530 -0.135 50 20 JBGD CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)NNC(=O)CNC(=O)c3cccs3)cc2)CC1 751208740 ISZCGOZEAKSMFM-UHFFFAOYSA-N 493.567 -0.208 50 20 JBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)CN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)cc1 913500037 FBNJGBFOCDGQSW-LSOMNZGLSA-N 460.512 -0.430 50 20 JBGD CCn1cnc2c1c(=O)n(CC(=O)NNC(=O)c1cc(C)nn1C)c(=O)n2Cc1ccccc1 918016898 NSRFYBYSQBIJEG-UHFFFAOYSA-N 464.486 -0.069 50 20 JBGD COC[C@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)Cc3csc4c3c(=O)n(C)c(=O)n4C)CCO2)C1 1783883794 YTDGBQSASWBUTG-QKKBWIMNSA-N 498.989 -0.075 50 20 JBGD CC(C)(C)OC(=O)N1CC(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)C1 1786979606 COHFPAUQSQXCPV-VDGAXYAQSA-N 487.362 -0.173 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3[nH]nc4ncccc34)[C@H]2C1 1787344180 ARXUKKXZBHHOJQ-ZLIFDBKOSA-N 464.486 -0.137 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CC(=O)N(C3CCCC3)C1)C2)c1ccc(B(O)O)cc1 1795732925 QYKKUSSCVAZWFL-QSNWEANLSA-N 469.347 -0.639 50 20 JBGD CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)C1 1795734287 LMHMNWYMVANFEE-FTEYMNFISA-N 487.362 -0.173 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CNC(=O)C1)C2 1798522987 LNWLIHMHMXABDO-PJHJGJPPSA-N 460.443 -0.141 50 20 JBGD CNC(=S)NCCC(=O)NC[C@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1810312282 UIODZHZZPXQUFW-OXQOHEQNSA-N 463.608 -0.056 50 20 JBGD O=C(COc1ccc(O)nn1)N[C@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815348670 VXOJQWJEIRUNJK-ZDUSSCGKSA-N 469.288 -0.377 50 20 JBGD CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1 1817476561 WSRPCGQDSNYKPQ-RBUKOAKNSA-N 486.290 -0.110 50 20 JBGD N=C(N)NCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@@H](O)CCl)C2)C1 1828969816 QKFRTYAGPSGRCP-KKSFZXQISA-N 480.953 -0.479 50 20 JBGD CC[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)C[C@@H]3NC(=O)NC3=O)CCO2)C1 1832696007 AYSFBLJBXPATJB-PRXAMGSTSA-N 461.313 -0.786 50 20 JBGD Cc1nc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)cs1 1832968239 YEHHHDIOGAISDM-NRFANRHFSA-N 474.543 -0.237 50 20 JBGD Cn1nccc1C(=O)NC1CCN(C2CCN(C(=O)c3cnccc3C(=O)NN)CC2)CC1 1834214347 VQDPMTZUYGASOQ-UHFFFAOYSA-N 454.535 -0.082 50 20 JBGD COc1ccc([C@H](O)C(=O)N2CCOC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)cc1 1835933710 ANLMYBYYSOYFKN-XUZZJYLKSA-N 484.314 -0.821 50 20 JBGD O=C(CCc1ccccn1)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835935250 KHYGUIDTPKGZJR-QHCPKHFHSA-N 453.304 -0.536 50 20 JBGD CN1CCC[C@@H](C(=O)NC2CCN(C3CCN(C(=O)c4cccc(B(O)O)c4)CC3)CC2)C1 1836349136 DRHVILXEOILMHG-LJQANCHMSA-N 456.396 -0.107 50 20 JBGD Cc1nccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)n1 1837457790 RMYOHHNCNXBDFM-NRFANRHFSA-N 455.475 -0.833 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(Cl)ncn3)C2)C1 1837459662 VJZZWQTXJWUONI-HXUWFJFHSA-N 475.893 -0.488 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)c1ccncc1Cl)CCO2 1837885317 XJCXPBUKHHZUEY-NRFANRHFSA-N 459.695 -0.201 50 20 JBGD C=CC(=O)N[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1837919106 FDMFBLBONCYEHN-MRXNPFEDSA-N 457.336 -0.331 50 20 JBGD O=C(CCn1ccnn1)N1CCC(OC2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1837921051 VSACHIPDLBZDLY-UHFFFAOYSA-N 455.324 -0.340 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H]3CNC(=O)C3)CCO2)C1 1839867298 HYPWRJAVNPNXIZ-WIEQDCTASA-N 488.969 -0.289 50 20 JBGD CCS(=O)(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](Cl)COC)CCO2)C1 1840150746 QHRLZPJCBGSTFL-KEYYUXOJSA-N 455.961 -0.976 50 20 JBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1840153663 XDNOZGKPHNUVHP-HNAYVOBHSA-N 455.899 -0.991 50 20 JBGD CN(C1CCCCC1)S(=O)(=O)N1CCN(C(=O)NNC(=O)CNC(=O)c2ccco2)CC1 725873261 WXJDIOBEQPLGKT-UHFFFAOYSA-N 470.552 -0.123 50 20 JBGD Cc1c(/C=C(\C#N)C(=O)N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)cc(C#N)n1C 919986572 IVKDBKIMKWUCQP-QJKHOBJASA-N 465.557 -0.227 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C[C@](C)(O)CC(=O)O)C2 1782213935 BGROXDYRJISGQS-GQWLDOHISA-N 456.540 -0.511 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CC(c4ccccc4)=NN3)C2)C1 1782600192 CCTJJDCQVVCGRE-RDPSFJRHSA-N 477.525 -0.105 50 20 JBGD COC(=O)[C@H]1CC[C@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)C1 1784082047 QQTMYXIWFIBZLD-CBOSDZJASA-N 458.320 -0.451 50 20 JBGD Cn1nc2c(c1C(=O)NC[C@@H]1OC[C@@H]3CCN(C(=O)c4cnccc4C(=O)NN)C[C@@H]31)CCC2 1790461753 MXLIKQOZPCHHQJ-IXDGSTSKSA-N 467.530 -0.186 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(CS(C)(=O)=O)nc3)C[C@@H]21 1791289020 BQLBRBALBCOGCW-WDSOQIARSA-N 495.602 -0.408 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)[C@@H]1[C@@H](O)CCN1Cc1ccccc1 1800298455 QBFDIGIPJLUFPG-IOXZRWQCSA-N 493.369 -0.795 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@H](CNC(=O)CCc2nc(N)n[nH]2)[C@@H]1c1cccnc1 1810149827 BUFUECHJPMQQEJ-LIRRHRJNSA-N 478.517 -0.267 50 20 JBGD O=C(N[C@@H]1CCc2nc(NC(=O)c3cnncc3C(=O)O)sc2C1)c1ccc(B(O)O)cc1 1820494032 ONSWCBCDLHJGOS-GFCCVEGCSA-N 467.272 -0.149 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCc3ccoc3C1)CCO2 1830931734 UMHLSIKNBUVGBY-CYFREDJKSA-N 468.315 -0.166 50 20 JBGD O=C(NCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1)c1cccnc1 1832729489 GENYSDCYTCNEKV-YJBOKZPZSA-N 473.299 -0.042 50 20 JBGD Cc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)nc2nccn12 1835939427 QGCUJMODYYPFKN-QHCPKHFHSA-N 479.302 -0.899 50 20 JBGD C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1)N1CSCSC1 1837573861 IAVUTSBOXVLIAV-JXFKEZNVSA-N 489.664 -0.141 50 20 JBGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4n(n3)CCNC4=O)C2)C1 1840031749 BHAWOIJQVOILAJ-KPZWWZAWSA-N 470.324 -0.520 50 20 JBGD COc1ccc([C@H](O)C(=O)N2CCOC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)cc1 1840183268 WVPUXWUXVGUOAC-GMAHTHKFSA-N 478.546 -0.442 50 20 JBGD Cc1cnn([C@H](C)C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)c1 1840403769 OYYMORSNKOJVCZ-VGOFRKELSA-N 456.308 -0.797 50 20 JBGD C[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1)c1ccccn1 1840501616 JRNREDYKWMHMLL-MWTRTKDXSA-N 468.514 -0.046 50 20 JBGD CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NNC(=O)C(=O)NC3CC3)CC2)cc1 9889323 ONNCTLFSZDVEGV-UHFFFAOYSA-N 466.516 -0.310 50 20 JBGD CCn1cnc2c1c(=O)n(CC(=O)NNC(=O)C1(C(N)=O)CCC1)c(=O)n2Cc1ccccc1 729259517 FXVHSQXOZCFXMW-UHFFFAOYSA-N 467.486 -0.769 50 20 JBGD O=C(NNC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@H]1CCCO1)C2=O)C(=O)N1CCCC1 748240094 QEWZKXALMWPFGS-CYBMUJFWSA-N 450.473 -0.607 50 20 JBGD C[C@@H](CN1CCOCC1)C(=O)NNC(=S)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 916117761 MBMSKCNGQFAOBV-HNNXBMFYSA-N 471.605 -0.007 50 20 JBGD NS(=O)(=O)c1ccc(N2CCN(CC(=O)NNC(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1 917110118 UFHLUWITVZEAHC-UHFFFAOYSA-N 462.488 -0.175 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CCO[C@@]2(CCN(C(=O)C3=NNC(=O)C3)C2)C1 1778938732 SBCKJCJVTPBIEO-ORAYPTAESA-N 457.915 -0.176 50 20 JBGD C[C@H](Cn1cncn1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2 1779498358 PMFYGKMUOSQFFZ-ZWDAVXSWSA-N 455.324 -0.578 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@]2(CN(C(=O)CN3C(=O)C=CC3=O)CCO2)C1 1780098765 VJHUEOSUXAZFHD-QFIPXVFZSA-N 486.437 -0.111 50 20 JBGD CN(CC(=O)N1CCO[C@@]2(CCN(C(=O)c3c[nH]c(=O)cn3)C2)C1)NC(=O)NCc1ccccc1 1780248597 KQTQLGSSYAKDDO-QHCPKHFHSA-N 483.529 -0.440 50 20 JBGD Cc1c(C(=O)N2CCO[C@@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)cn2[nH]cnc(=O)c12 1783935920 YEUWVSBCMWTCCH-OAQYLSRUSA-N 459.507 -0.852 50 20 JBGD CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786983744 YTVSNFHXIGVDGR-FFGOWVMKSA-N 487.362 -0.031 50 20 JBGD COC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](Cc3cnc[nH]3)NC(C)=O)[C@H]2C1 1791543064 WKWQJDARZRZXIH-FUJDEKNSSA-N 455.943 -0.310 50 20 JBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@]1(O)CCN(C(=O)OC(C)(C)C)C1)C2 1801012093 CDUGYHNRVARFFK-KOCGSJPCSA-N 497.593 -0.679 50 20 JBGD Cc1cn(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](C)CBr)C3)c(=O)nc1O 1801969558 FVXCKJVRVAWAEM-DNVSUFBTSA-N 457.325 -0.122 50 20 JBGD CN[C@H](CC(=O)NC[C@@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1)C(=O)O 1807208659 YIBFUVHDJOXVTN-POZUXBRTSA-N 469.502 -0.538 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H](CNC(=O)[C@H](O)N2CCOCC2)[C@@H]1c1cccnc1 1810353166 GKUOWILGFWRFJC-ICPLQIHGSA-N 483.529 -0.950 50 20 JBGD NC(=O)c1nccnc1C(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1811184094 FBUBCHPJSBAOIY-OXJNMPFZSA-N 474.286 -0.716 50 20 JBGD C[C@H](C(=O)NC[C@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1)n1cnnn1 1813471494 ZQWHDQTZRUYPNJ-DDUZABMNSA-N 464.490 -0.353 50 20 JBGD CN1N=C(C(=O)N[C@@H]2CCc3nc(NC(=O)c4ccc(B(O)O)cc4)sc3C2)CCC1=O 1815337690 WEKLPKNGCYVOTR-CYBMUJFWSA-N 455.305 -0.343 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccnc1S)CCO2 1829797788 PVWTYSTZBBVVBY-NRFANRHFSA-N 472.527 -0.247 50 20 JBGD CC(C)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(=O)n4[nH]cnc4n3)C2)C1 1830357953 NTMWNTLLBAXCIL-IBGZPJMESA-N 452.899 -0.247 50 20 JBGD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830728993 ZQWZPPZPIHCVDH-UTKZUKDTSA-N 464.906 -0.165 50 20 JBGD C[C@@H](CNC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1830743204 YTAJRAJABZZKOU-GAJHUEQPSA-N 499.609 -0.023 50 20 JBGD C[C@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCS(=O)(=O)CC3)CCO2)C1 1832483824 RUJUVMGSTHQQGP-CRAIPNDOSA-N 496.424 -0.796 50 20 JBGD CC(C)c1nc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)no1 1832786833 CMHNEEXMIHDGNI-JOCHJYFZSA-N 472.307 -0.815 50 20 JBGD CC(C)(C)OC(=O)N[C@H](CCN)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1835640461 LOOZPSAHYVBSDG-STXHMFSFSA-N 478.974 -0.715 50 20 JBGD C[Si](C)(C)OCC(=O)N1CCO[C@]2(COCCN(C(=O)C3CCN(S(C)(=O)=O)CC3)C2)C1 1837713173 LPUIROCSACJIBP-HXUWFJFHSA-N 491.683 -0.034 50 20 JBGD CCOC(=O)N[C@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](Br)CC)CCO2)C1 1839964917 JCAYMKZZLVDRRP-AHIWAGSCSA-N 466.329 -0.319 50 20 JBGD O=C([C@H](O)CCl)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1C[C@@]13C(=O)Nc1ccccc13)CCO2 1840035725 CAIYMEKYVLXVJY-NAYASGRBSA-N 463.918 -0.048 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3cnccn3)CCO2)C1 1840457736 QMWNCSWNRYRLMB-JOCHJYFZSA-N 469.502 -0.822 50 20 JBGD CC(C)(C)OC(=O)N1CC(=O)C[C@H]1C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc(B(O)O)cc1 1847643113 XWKQSQGILLPZTQ-FHWLQOOXSA-N 471.319 -0.240 50 20 JBGD CCn1cnc2c1c(=O)n(CC(=O)NNC(=O)c1cccc[n+]1[O-])c(=O)n2Cc1ccccc1 918254314 CDEQSXVPXUMXNP-UHFFFAOYSA-N 463.454 -0.478 50 20 JBGD CC(=O)Nc1cccc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)n1 1779028501 MJEVXEKNBYUGNB-JOCHJYFZSA-N 467.486 -0.204 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](N)Cc1cccnc1)CCO2 1779030079 GUMFHHYALFDYOU-PGRDOPGGSA-N 453.503 -0.906 50 20 JBGD COCCn1nccc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnccc2C(=O)NN)C1 1779373180 LBGRHMIKGVUORE-AUSIDOKSSA-N 485.545 -0.031 50 20 JBGD CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]3C2)C1 1784095335 BEBJCKXFGXLBER-FKAQHNMISA-N 475.970 -0.062 50 20 JBGD O=C1COc2ccc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)c5cccc(B(O)O)c5)[C@H]4C3)cc2N1 1786984136 LQTCCXMZDQCSIH-MDKPJZGXSA-N 479.298 -0.396 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)[C@H]1Cc2ccccc2O1 1788182786 LMICBAKWZYNOMA-BZNRXQDOSA-N 450.300 -0.037 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(N3C(=O)C=CC3=O)cc1)C2)c1ccc(B(O)O)cc1 1795736746 FCNIUIUUITWJCS-FEJSZKPUSA-N 489.293 -0.687 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(CCN3CCCC3)nc1)C2)c1cccc(B(O)O)c1 1795739191 ZBFSQZLFPGYGJX-RUMRUAAYSA-N 492.385 -0.083 50 20 JBGD Cn1cnc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)c1C(F)(F)F 1796603060 AGXQJXBTWIYJHG-AGGWBTHJSA-N 466.225 -0.364 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1cc(-c2ccccn2)[nH]n1 1798171966 SPMRYIYPSZXLNF-VPTLXERWSA-N 461.287 -0.332 50 20 JBGD CN(CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccn(C)n1)C2)NC(=O)NCc1ccccc1 1799094964 MNOZVWDDDFHXEQ-BBIADKPPSA-N 483.573 -0.102 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnccc1C(=O)NN)C2 1800596540 GUNODPHOEFGZRA-YFQWEKLQSA-N 462.507 -0.220 50 20 JBGD C[C@H](Br)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cn1cnc3c1c(=O)n(C)c(=O)n3C)C2 1801958767 LJRAFZWCIMAMAH-RVMXOQNASA-N 481.351 -0.145 50 20 JBGD CC(=O)N[C@H](Cc1cccc(F)c1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2 1802042276 SJINKVKTDGQTKT-DNGCBJQESA-N 491.564 -0.165 50 20 JBGD COC(=O)c1ccc(OCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)cc1 1802230919 UFELAJANSFIAGZ-OPMZPASUSA-N 482.298 -0.565 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@H]1CCN(C(=O)CN2C(=O)CNC2=O)[C@H]1c1cccnc1 1808411098 YVKZEAIKRBEHMF-FYRPCYDASA-N 494.512 -0.227 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H](CNC(=O)CN2C(=O)C=CC2=O)[C@H]1c1cccnc1 1813175150 NRVHHZKMNRXULX-QVKFZJNVSA-N 477.481 -0.675 50 20 JBGD C[C@H](C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc(B(O)O)cc1)CC2)N1CCN(C)CC1 1822685640 SYGTUXIIEFMIJK-PBHICJAKSA-N 471.392 -0.315 50 20 JBGD CN1CCN(C2(C(=O)Nc3nc4c(s3)C[C@H](NC(=O)c3ccc(B(O)O)cc3)CC4)CC2)CC1 1822714623 QBLAPKVOPIJCRO-QGZVFWFLSA-N 483.403 -0.171 50 20 JBGD Nc1c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)sc2nccnc12 1830723084 KZRLFPDDZBNYKD-VOJFVSQTSA-N 455.924 -0.057 50 20 JBGD CCC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(=O)n4[nH]nnc4n3)C2)C1 1831645699 FHEAIJGEBJQNJF-SGTLLEGYSA-N 453.887 -0.710 50 20 JBGD Cc1nn(C)cc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1831872485 LDXSNIYDGCXTEI-NRFANRHFSA-N 457.491 -0.889 50 20 JBGD CCS(=O)(=O)N[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](O)CCl)CC2)CC1 1833449395 XJQSNZPUZDHQNG-CJNGLKHVSA-N 453.005 -0.515 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)[C@H](O)c3ccccc3)C2)C1 1835929616 YULQOQATQFOIHF-NFBKMPQASA-N 454.288 -0.830 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)[C@@H]3Cc4ccccc4CN3)C2)C1 1835935538 JVIGXSILJQLNEZ-WIOPSUGQSA-N 479.342 -0.849 50 20 JBGD Cc1nc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)ccc1F 1837456455 ICOLSFZGXBMTAB-QFIPXVFZSA-N 472.477 -0.089 50 20 JBGD COc1cccnc1CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnccc1C(=O)NN)CCO2 1837457115 VUVXBSPZDUDKAC-XMMPIXPASA-N 498.540 -0.209 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccncc3O)CCO2)C1 1837817393 BUQURIWLIHPCPJ-NRFANRHFSA-N 456.459 -0.831 50 20 JBGD CC(C)(C)OC(=O)N[C@]1(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)CCOC1 1839191287 CLIBXUIZDMHRGB-IWMITWMQSA-N 491.969 -0.274 50 20 JBGD CN1CCN(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](F)Br)CCO3)CC1 1839200923 PARSPWHJGNKUAS-NVXWUHKLSA-N 451.337 -0.619 50 20 JBGD Cc1cccc2c(C(=O)N3CCO[C@@]4(COCCN(C(=O)c5ccc(B(O)O)cc5)C4)C3)n[nH]c12 1839595156 ZGDHUUUYBDNGIV-XMMPIXPASA-N 478.314 -0.065 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc4c(c3)OCO4)C2)C1 1840184122 TXMFHVQMVWIDHX-QHCPKHFHSA-N 476.530 -0.213 50 20 JBGD C[C@H](CN1CCOCC1)NC(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 916470771 RIDMHNBSCRDDHZ-QGZVFWFLSA-N 483.591 -0.309 50 20 JBGD CN(CCCNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)S(C)(=O)=O 916580346 PULZNRXYWAYJLC-UHFFFAOYSA-N 461.566 -0.303 50 20 JBGD CS(=O)(=O)N1CCC[C@H](NC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)C1 920239262 ZIHUGMVLQZUBOH-HNNXBMFYSA-N 489.576 -0.925 50 20 JBGD COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)c1OC 1317725030 YZDUXIDHHFQREJ-AWEZNQCLSA-N 491.588 -0.169 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)COC(=O)C(F)(F)F)CCO2)C1 1779032588 UUGOXNOXZHNZEW-QGZVFWFLSA-N 459.381 -0.766 50 20 JBGD COc1cc(C(=O)N2CC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)c([N+](=O)[O-])cc1O 1780195410 PWWAVJUXSRXHAX-QFIPXVFZSA-N 485.258 -0.254 50 20 JBGD CC(=O)N(C)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C[C@@H]21 1784935377 YOCRDCAIOUFIIK-QECDCCOMSA-N 460.535 -0.032 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCc4nc[nH]c4C3)C[C@@H]21)c1cccc(B(O)O)c1 1786986462 CXAJBYVPVILTDF-JQZBISMTSA-N 452.320 -0.512 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3Cc4ccccc4CN3)[C@H]2C1 1787453303 IWRHDKQXIZSGRR-MVWVFHAYSA-N 478.553 -0.007 50 20 JBGD CC(=O)N/C(=C\c1ccco1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795736285 VWHFSXQTENDDFI-UTPKTXBFSA-N 467.287 -0.660 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc([N+](=O)[O-])cc1F)C2)c1cccc(B(O)O)c1 1795740512 DDEVFRIZXYSXPD-VPTLXERWSA-N 471.250 -0.140 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(=O)c1cccn1C)C2 1796446466 YIWXTCLIGKPUIW-FJABVQHVSA-N 454.487 -0.069 50 20 JBGD CC(=O)NCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN(C)NC(=O)NCc1ccccc1 1799097125 DGFMYGJGCPZXAO-RMFSNUHRSA-N 460.535 -0.942 50 20 JBGD CC(=O)OC[C@H](OC(C)=O)C(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1810336257 IGTZPMYJWCLHKN-HJNYFJLDSA-N 497.313 -0.424 50 20 JBGD O=C(Cn1ccncc1=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827053244 HAUCPGPABDUSOC-FQEVSTJZSA-N 452.320 -0.143 50 20 JBGD C[C@@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCN(C)CC3)C2)C1 1830539908 KKJFSBJKTKGJRC-LPHOPBHVSA-N 461.401 -0.279 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)c1cc(O)nc(Cl)c1)CCO2 1833576726 YEUFSLVGWLHTDR-NRFANRHFSA-N 475.694 -0.496 50 20 JBGD CN1CCN(CCC(=O)NC2CCN(C3CCN(C(=O)c4ccc(B(O)O)cc4)CC3)CC2)CC1 1834623178 PJNYLYIDOYFLPS-UHFFFAOYSA-N 485.438 -0.811 50 20 JBGD Cc1ccc(S(=O)(=O)CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)cc1 1835184447 WRSGKOYMOLNZTD-YLJYHZDGSA-N 474.963 -0.175 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)c3cnoc3C3CC3)C2)C1 1835935330 OQOWTSXHEUOMBM-JOCHJYFZSA-N 455.276 -0.384 50 20 JBGD Cc1ccncc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnccc1C(=O)NN)CCO2 1837457743 OTOQPBSEVAOWRI-QFIPXVFZSA-N 454.487 -0.228 50 20 JBGD CN(C)c1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)cn1 1837459045 IGAPBHHDGKEOIR-HSZRJFAPSA-N 483.529 -0.470 50 20 JBGD O=C(c1cc(=O)nc2cccnn12)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1838501470 GSTBQBQGJUPCAJ-YJBOKZPZSA-N 484.282 -0.150 50 20 JBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)NC(=O)OC(C)(C)C)C2)C1 1840154938 KUJUBSYAKOMBJN-NJSLBKSFSA-N 465.931 -0.460 50 20 JBGD CCOC(=O)N1CCC(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)CC1 1840816603 CBQJTRDAAKWMFT-UZLBHIALSA-N 461.943 -0.089 50 20 JBGD CCS(=O)(=O)N[C@@H](C)C(=O)N1CCCC12CN(C(=O)/C(C)=N/NC(=O)c1ccc[nH]1)C2 1841581021 WMZVLBFTQRTBNE-HADWXUJASA-N 452.537 -0.348 50 20 JBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)CCCN1C(=O)c2ccc(Br)cc2C1=O 729276134 XOPFNLATRBYICR-VIFPVBQESA-N 475.321 -0.090 50 20 JBGD O=C(CNC(=O)c1cccs1)NNC(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1 751211232 OOJFUAJFRMVCRT-UHFFFAOYSA-N 472.570 -0.050 50 20 JBGD COc1cc(OC)cc(C(=O)NCC(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c1 802285864 NAONZXVREFPGQU-SFHVURJKSA-N 473.438 -0.036 50 20 JBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2)c1nc2ccccn2n1 1777815117 IRSZQWBKWAIUMH-WZONZLPQSA-N 463.303 -0.150 50 20 JBGD Cc1nnc(CCC(=O)N2CCO[C@@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)s1 1779029441 XLWKAJQSGBSKRH-FQEVSTJZSA-N 459.532 -0.079 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)c3ccc(C(N)=O)cc3)CCO2)C1 1779034067 LDBQSSARWNNAAC-JOCHJYFZSA-N 452.471 -0.459 50 20 JBGD CN(C)C(=O)NCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnccc2C(=O)NN)C1 1779371121 FJVUOLQKKMQZDM-IIBYNOLFSA-N 461.523 -0.916 50 20 JBGD CN(C)c1ccc(C(=O)N2CC[C@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)cn1 1779765827 WNGSYSYGKBYHMZ-QFIPXVFZSA-N 453.503 -0.097 50 20 JBGD COCCOCCOCCOCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]2C1 1784093836 GVWAQCQTLDOZGR-FJIDUMEYSA-N 466.959 -0.738 50 20 JBGD O=C1Nc2ccccc2/C1=C/C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786984275 XNFOVULMSYKVDP-DFFOJIANSA-N 475.310 -0.005 50 20 JBGD CCOC(=O)O[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1 1788609723 DAPWOQYLNGXOQX-PYTWLRIVSA-N 463.491 -0.160 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccccc3C(N)=O)C[C@@H]21 1788609950 FUJMZIABHXGGDG-AGRHKRQWSA-N 466.498 -0.309 50 20 JBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCC(=O)N1C(=O)OC(C)(C)C 1801161250 ZQIXMURNGZBSLC-QOIOWGMHSA-N 495.577 -0.125 50 20 JBGD C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](CCl)NC(=O)OC(C)(C)C)C2)n1cnnn1 1801434691 LNBCZXCOKARMRD-NIFZNCRKSA-N 471.946 -0.044 50 20 JBGD CC[C@@H](NC(C)=O)C(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807360994 UQFGRTDETYQUOP-HMXCVIKNSA-N 452.320 -0.004 50 20 JBGD O=C(NC[C@H]1CCN(C(=O)CCN2C(=O)C=CC2=O)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807365394 ORYWBXJYDZBNCI-JPYJTQIMSA-N 476.298 -0.604 50 20 JBGD C[C@](O)(CC(=O)O)CC(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807374724 LYYNBEZPXMIWIF-AMHTUMDSSA-N 469.303 -0.303 50 20 JBGD CC(=O)N1CCN(CC(=O)NC[C@@H]2CCN(C(=O)[C@H](O)CCl)[C@@H]2c2cccnc2)CC1 1809665932 SRFWPGZWAABVHK-NLWGTHIKSA-N 451.955 -0.149 50 20 JBGD Cc1cn(CC(=O)NC[C@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)c(=O)nc1O 1814038944 IQMNKQQSRKQTAW-NQIIRXRSSA-N 491.313 -0.648 50 20 JBGD COC[C@H](NC(C)=O)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1819608714 XCOYNJZNJAQDCC-ZWKOTPCHSA-N 457.296 -0.454 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CNC2=O)CC1 1824900279 IJQOHLCSVKLPAB-QGZVFWFLSA-N 471.518 -0.530 50 20 JBGD C[C@@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(=O)n4[nH]cnc4n3)C2)C1 1830537136 CADYEEGGAQSVSS-SGTLLEGYSA-N 483.323 -0.481 50 20 JBGD C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1)n1ccnc1 1830979945 HGTNEYJGDYNRAS-VFNWGFHPSA-N 457.491 -0.787 50 20 JBGD CCS(=O)(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)Br)C2)C1 1831329707 QTTRTANDIWLCFZ-WOSRLPQWSA-N 470.386 -0.446 50 20 JBGD CS(=O)(=O)N1CCC(C(=O)N2CCC(N3CCC(NC(=O)[C@H](O)CCl)CC3)CC2)CC1 1833310560 RURVJUUEQRSTMW-GOSISDBHSA-N 479.043 -0.171 50 20 JBGD C[C@H](CS(C)(=O)=O)C(=O)NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1833481113 CKYMPTSGEQTBJK-MRXNPFEDSA-N 479.408 -0.768 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)c1n[nH]c(C3CC3)c1F)CCO2 1833678664 KKQNNXHQQHVMFM-QFIPXVFZSA-N 472.282 -0.510 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)c3ccc(O)cc3F)C2)C1 1835939162 HFQWZAHEADBXIW-JOCHJYFZSA-N 458.251 -0.405 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccn4cncc4c3)C2)C1 1837459041 HVPDTOGNAZZMPW-HSZRJFAPSA-N 479.497 -0.283 50 20 JBGD Cc1nnc(CC(=O)N2CCC(OC3CCN(C(=O)c4cccc(B(O)O)c4)CC3)CC2)o1 1837920985 OVOWOYLRJDVCLH-UHFFFAOYSA-N 456.308 -0.087 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(CN(C(=O)c3ccn(C(F)F)n3)CCO2)C1 1838037234 UCOYKVJJXDKYFI-HXUWFJFHSA-N 479.444 -0.340 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(Cl)ncn1)CCO2 1838259800 GWNDFANGTCYBFO-LJQANCHMSA-N 454.915 -0.427 50 20 JBGD COc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)c(O)c1OC 1839378034 QBTAYVZOHARCQO-HSZRJFAPSA-N 494.545 -0.148 50 20 JBGD O=C1CC[C@@H](C(=O)N2CSC[C@@H]2C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](F)Cl)C3)C2)N1 1839744375 JDBBSMJDPVJAHN-HXYMJUCXSA-N 492.957 -0.843 50 20 JBGD C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1)C(F)(F)F 1839892691 BGEMUDMVAWODHP-SFHVURJKSA-N 457.409 -0.126 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccn4nccc34)C2)C1 1840185196 NADHCSABJYCPCD-QFIPXVFZSA-N 458.519 -0.223 50 20 JBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 729274930 HUFMHALPUZMBOH-CYBMUJFWSA-N 472.589 -0.339 50 20 JBGD CC[C@@H](C)NC(=O)CCNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 918085377 SXXXAWZLMXOTIS-CQSZACIVSA-N 455.537 -0.044 50 20 JBGD O=C(CCCNS(=O)(=O)c1ccc2c(c1)OCCCO2)NNC(=O)[C@H]1CCS(=O)(=O)C1 918210486 ZCNVUHNIIXUSPA-ZDUSSCGKSA-N 475.545 -0.512 50 20 JBGD Cc1cccc(N2CCN(S(=O)(=O)CC(=O)NNC(=O)[C@@H]3CCS(=O)(=O)C3)CC2)c1 919839806 UJGNJKNZUVPUNP-OAHLLOKOSA-N 458.562 -0.971 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](N)c1ccccn1)C2 1779373134 FAHSSHQBNOAWQZ-SELNLUPBSA-N 467.530 -0.092 50 20 JBGD Cc1c(C(=O)N2CC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)cn2[nH]cnc(=O)c12 1780020448 APCOPGQBMYBQAN-NRFANRHFSA-N 459.507 -0.852 50 20 JBGD C[C@H](NNc1ccccc1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1783552755 QDKPOSMSXJCZOQ-DBXVSBKESA-N 466.347 -0.035 50 20 JBGD CC(=O)N1CCN(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCBr)[C@H]3C2)CC1 1786407341 XEYNMRKOEARUGD-ULQDDVLXSA-N 459.385 -0.085 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C[C@H](N)c3cccnc3)[C@H]2C1 1786929643 HYGYKRFHMYOKMJ-KNTRFNDTSA-N 467.530 -0.237 50 20 JBGD C[C@@H](Nc1cccnc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1795605428 VJEBAUWMVOIKAX-BKEDOTJMSA-N 453.503 -0.216 50 20 JBGD COc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)cc(Cl)n1 1795734448 OYXHWQYSEHDHLN-CCWDJLKJSA-N 459.695 -0.060 50 20 JBGD O=C(NC[C@@H]1CCN(C(=O)CN2CCS(=O)(=O)CC2)[C@H]1c1cccnc1)[C@@H](O)CCl 1803136444 QSBLLJCHINDSPV-BQFCYCMXSA-N 458.968 -0.583 50 20 JBGD CC[C@H](NC(N)=O)C(=O)NC[C@@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1808231627 ZNCAJRRNSQOXCF-JCGIZDLHSA-N 468.518 -0.153 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1CCN(C(=O)CCN2C(=O)C=CC2=O)[C@@H]1c1cccnc1 1810295711 VUFRGHGWIHKKPQ-KSFYIVLOSA-N 491.508 -0.285 50 20 JBGD C[C@](O)(CC(=O)O)CC(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1813065669 PFQKQLLPBRXZKD-ODOSVJCGSA-N 469.303 -0.303 50 20 JBGD C[C@H](NNc1ccccc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1829807106 IFWGTJDUPGUJIB-UUOWRZLLSA-N 482.346 -0.558 50 20 JBGD CC(C)(C)OC(=O)N1CCO[C@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)C1 1830881509 YIFRUSZYULAGIV-VWKPWSFCSA-N 491.969 -0.322 50 20 JBGD C[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1)n1ccnc1 1830979943 HGTNEYJGDYNRAS-BTYIYWSLSA-N 457.491 -0.787 50 20 JBGD Cn1cnc(C(=O)NC2CCN(C3CCN(C(=O)c4cnccc4C(=O)NN)CC3)CC2)c1 1834288350 XOUSGZDSDNIWIC-UHFFFAOYSA-N 454.535 -0.082 50 20 JBGD CCCC(=O)N[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3cccc(B(O)O)c3)CC2)CC1 1834800967 CYIVKBHXKPMEPH-KRWDZBQOSA-N 472.395 -0.144 50 20 JBGD C[C@H](Nc1cccnc1)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1835686449 BVZFTVLVXXTDPA-GAJHUEQPSA-N 468.319 -0.668 50 20 JBGD Cn1c(C(=O)N2CCC(N3CCC(NC(=O)c4cnccc4C(=O)NN)CC3)CC2)cccc1=O 1835737241 ZOVDRGXOIYJIEP-UHFFFAOYSA-N 481.557 -0.117 50 20 JBGD C=CC(=O)N[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3cnccc3C(=O)NN)CC2)CC1 1835830837 QZSCIPPENGZRIZ-HNNXBMFYSA-N 471.562 -0.439 50 20 JBGD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835934498 WAMJXNYBMZSJQW-CZDPRXMLSA-N 498.297 -0.733 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3ccccc3=O)CCO2)C1 1835994859 DRCLIYSEXQNILQ-QADUPLGGSA-N 484.513 -0.561 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1c[nH]c3cnccc13)CCO2 1837176653 VOFIWQIXCCYVIN-HSZRJFAPSA-N 479.497 -0.055 50 20 JBGD Cc1nc(C)c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)o1 1838004965 SSYWKLJIXOXLIP-NRFANRHFSA-N 458.475 -0.326 50 20 JBGD CSc1ncccc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1838283393 AYEYQVBILUCKFH-QFIPXVFZSA-N 471.344 -0.133 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3nccn3)C2)C1 1838528340 RVLQJNOFAVHARL-NRFANRHFSA-N 488.457 -0.118 50 20 JBGD O=C(CCN1CCOC1=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839200487 IIMKYSXZVGRKLR-BBRMVZONSA-N 452.277 -0.024 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839202983 VWKCBVIUOQCLKD-GDBMZVCRSA-N 453.309 -0.494 50 20 JBGD O=C(Cn1cccc([N+](=O)[O-])c1=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1839718565 BLIGLLYHUANDAT-RHSMWYFYSA-N 491.270 -0.097 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3C[C@@]34C(=O)Nc3ccccc34)C2)C1 1840185446 QKYGACPKIQZYNA-YWWLGCSWSA-N 499.568 -0.274 50 20 JBGD CCOC(=O)c1ncn2c1CC[C@@H](C(=O)N1CCCC13CN(C(=O)c1ccc(B(O)O)cc1)C3)C2 1845862413 QOBIQVNDFBPNPJ-QGZVFWFLSA-N 480.330 -0.181 50 20 JBGD CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)N2CCCC23CN(C(=O)c2ccc(B(O)O)cc2)C3)C1 1846411045 COXLVBLJZABTEA-QHCPKHFHSA-N 473.335 -0.445 50 20 JBGD O=C(CNC(=O)c1cccs1)NNC(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 725874443 ZPXTZFPNXAMNBT-UHFFFAOYSA-N 495.587 -0.645 50 20 JBGD CC(=NNC(=O)[C@@H](C)NS(C)(=O)=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)O)cc1 728435459 BHFMGRCSJJKSKJ-CYBMUJFWSA-N 462.550 -0.050 50 20 JBGD Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)s1 919889445 MDCUVYOUEDYCLN-RYUDHWBXSA-N 450.564 -0.273 50 20 JBGD Cc1nn2cc(CC(=O)N3CCO[C@@]4(CCN(C(=O)CCC(=O)NN(C)C)C4)C3)nc2s1 1783933009 AGWAVRNTLICBSV-HXUWFJFHSA-N 463.564 -0.155 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCNC3=N)C[C@@H]21 1785076487 LYOSESDHQTUNBB-VGWMRTNUSA-N 487.001 -0.062 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21)c1ccc(B(O)O)cc1 1786979626 FFSHPNJOHZPSTI-OIRWYUSJSA-N 459.308 -0.511 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3[nH]nc4ccncc34)[C@H]2C1 1787340934 RWLASEMRDLMZRC-IWEFOYFVSA-N 464.486 -0.137 50 20 JBGD C[C@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(=O)n2[nH]nnc2n1 1796107627 YFGBXZVQYMXBDP-ORXSELOVSA-N 454.285 -0.953 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCN1Cc2ccccc2C1=O 1797183821 ICMWRFZZXFTYOS-FAQVEIGNSA-N 492.536 -0.066 50 20 JBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CN(Cc2ccccc2)CCO1 1797249227 UONQVAQYJRISSY-OOICKAIWSA-N 487.601 -0.150 50 20 JBGD O=C(NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807371080 PERQSRSUHKCTQB-KNQAVFIVSA-N 473.103 -0.925 50 20 JBGD CC[C@H](C)[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C2)C1 1831508324 CZUMSRLDQCAGMK-FFFRPANTSA-N 463.535 -0.016 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCC(=O)N3)C2)C1 1832549458 PWYSHJSHEKCYIQ-GXZWQRSESA-N 488.969 -0.147 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)c3ccc(O)nn3)CC2)CC1)c1ccc(B(O)O)cc1 1834797272 BIEWYNMTRQIQNF-UHFFFAOYSA-N 453.308 -0.639 50 20 JBGD Nc1ccccc1/C=C/C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1835776808 NATJEDFQIWGIRP-KDLSMAQYSA-N 465.315 -0.268 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)c3cc(C(F)F)no3)C2)C1 1835928743 XQCGNNPQANACSH-HXUWFJFHSA-N 465.218 -0.324 50 20 JBGD Cc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)cc2c[nH]nc12 1835931962 JJPVSROUPLNTSP-DEOSSOPVSA-N 478.314 -0.065 50 20 JBGD C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835939627 CCFVOJCCXMISBI-MWTRTKDXSA-N 491.350 -0.650 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnn3cccnc13)CCO2 1836847226 SXHOXASZDRJYBL-JEWPKMHUSA-N 494.512 -0.067 50 20 JBGD CC(C)N1CCC(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cnccc4C(=O)NN)CCO3)C2)CC1 1837456937 SUXPDBZUYHBLIC-DEOSSOPVSA-N 488.589 -0.125 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccnc3ncccc13)CCO2 1839541879 OXNFSKAWVIUMLT-XMMPIXPASA-N 476.298 -0.307 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cc[nH]n3)CCO2)C1 1839721117 SLUZQJISLLRTNU-SGSZHJQISA-N 457.491 -0.457 50 20 JBGD CC(=O)N/C(=C\c1ccco1)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840185880 ZHXXQJHOOZCMFK-FYVGXUMQSA-N 491.545 -0.414 50 20 JBGD COc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)ccc1[N+](=O)[O-] 1840758529 ZVMPGPXMWPAHQD-HSZRJFAPSA-N 499.285 -0.333 50 20 JBGD COC(=O)NNC(=O)CSCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC 916559890 HNQWTKKPMOOVIW-UHFFFAOYSA-N 476.533 -0.225 50 20 JBGD CNC(=O)CCCNC(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 918235235 LENWGLROAGEPPL-UHFFFAOYSA-N 455.537 -0.503 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H]1CNC(=O)C1)C2 1778094409 JDKOOULAZZXQIV-CHERFMFFSA-N 458.519 -0.230 50 20 JBGD CC(C)(C)n1cc(C(=O)N2CC[C@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)nn1 1780354536 FIUMANMLKIFSHM-NRFANRHFSA-N 456.507 -0.211 50 20 JBGD CN(CC(=O)N1CC[C@]2(C1)CN(C(=O)C(=O)N(C)C)CCO2)NC(=O)NCc1ccccc1 1780968554 BFSIYYFAYIOWRP-QFIPXVFZSA-N 460.535 -0.749 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)[C@H]3CC[C@@H]4CCC(=O)N4C3)C2)C1 1781054793 PXVCUIPDDBXINR-GWJPWWOOSA-N 455.320 -0.789 50 20 JBGD Cc1cc2nnc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)c5ccc(B(O)O)cc5)[C@H]4C3)c(C)n2n1 1786979634 FXHZXYZONRXADK-WDSOQIARSA-N 478.318 -0.672 50 20 JBGD CC(=O)N1CCN(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H](F)Br)C[C@@H]32)CC1 1788248361 JMSPYFGXMBUSEP-JKQORVJESA-N 463.348 -0.179 50 20 JBGD CN(CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCn3ccnn3)C[C@@H]21)NC(=O)NCc1ccccc1 1789726653 KGZUYMJHZMBYSK-ACRUOGEOSA-N 498.588 -0.006 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C[C@H](O)CN1)C2 1793879291 WRSFBWJWCDMFJF-KARBZBNUSA-N 460.959 -0.569 50 20 JBGD COc1cccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)n1 1797748660 QPUCBKKIYYCIOP-VTEUUUEMSA-N 454.487 -0.465 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](O)N2CCOCC2)CC1 1828967933 TYNXYLSZHXUKIM-RBBKRZOGSA-N 459.352 -0.750 50 20 JBGD O=C(CCN1C(=O)Cc2ccccc2C1=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1830836318 QZHFRWNPTXSATA-JPYJTQIMSA-N 493.944 -0.342 50 20 JBGD Cc1cccnc1CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1832776701 YEMLPGCAXMXFIH-XMMPIXPASA-N 467.331 -0.227 50 20 JBGD CCc1cnc(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)s1 1835930766 YVZMFKBRALMALI-NRFANRHFSA-N 459.333 -0.231 50 20 JBGD CCc1ncsc1C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835931736 ZNZOACFGABDYQI-NRFANRHFSA-N 459.333 -0.231 50 20 JBGD COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)cc1O 1835934203 PPTAVEHZIHZHFT-DEOSSOPVSA-N 484.314 -0.607 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cn4cc(F)ccc4n3)CCO2)C1 1836961975 RROTVFHBGVUPGJ-QHCPKHFHSA-N 497.487 -0.144 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccn3cncc3c1)CCO2 1837077103 BTJYJFFGNJHDOI-HSZRJFAPSA-N 464.287 -0.602 50 20 JBGD CC(=O)N[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1)C(C)(C)C 1837456978 UQLRRFKOVPJJCQ-JPYJTQIMSA-N 490.561 -0.694 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc4ccccn34)C2)C1 1837459161 KKQABTHESSCXLX-QHCPKHFHSA-N 479.497 -0.283 50 20 JBGD CC[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837460305 AEHDYOCKNKRJIC-KXBFYZLASA-N 484.351 -0.071 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)c1c(F)cncc1F)CCO2 1838165069 VEFPCAYGZWAPKG-OAQYLSRUSA-N 461.230 -0.577 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(O)c(F)c1)CCO2 1839305497 BCPSWHZMWZWASH-OAQYLSRUSA-N 452.483 -0.026 50 20 JBGD CC[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)C[C@H]3NC(=O)NC3=O)C2)C1 1839962857 TXMVCIJTXIJYCQ-JKDFXYPNSA-N 461.313 -0.786 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4ccnn4c3)C2)C1 1840185158 LZVRIEBYBCLPTL-JOCHJYFZSA-N 458.519 -0.223 50 20 JBGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](Cc1cnc[nH]1)NC(C)=O)CCO2 1840371871 GLBHZHHYQBMGRL-MBOZVWFJSA-N 471.942 -0.833 50 20 JBGD Cc1nccn1CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1840386863 INCAPZRMAIZPDC-HSZRJFAPSA-N 470.335 -0.578 50 20 JBGD CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)OCC(=O)NNC(=O)c2ccccc2)c1 10773330 QNICYWRLWFCNQQ-UHFFFAOYSA-N 464.500 -0.117 50 20 JBGD CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 729275019 JOHJCLRYQDRNSM-TZMCWYRMSA-N 466.607 -0.520 50 20 JBGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNS(=O)(=O)c2cc(C(N)=O)n(C)c2)c1 912979483 YOGGHJUZWCDUDO-UHFFFAOYSA-N 457.534 -0.222 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1ON=C(c3ccccc3)O1)CCO2 1779032515 RDFBCGNJWKROMF-GOTSBHOMSA-N 480.481 -0.137 50 20 JBGD C[C@H](Nc1cnccn1)C(=O)N1CC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1779058966 YOSKYUURBVAZKA-LHSJRXKWSA-N 454.491 -0.581 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCn3cncn3)C[C@@H]21 1787508475 YMTVGUTXKIZJCO-GZERKGCBSA-N 456.507 -0.218 50 20 JBGD CCOC(=O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1 1788610845 CAJXDBFRKDEUDJ-JQFCIGGWSA-N 461.519 -0.132 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3C[C@H](O)CN3)[C@H]2C1 1789762413 FGTTTXLKTUCQLT-YYVUJICRSA-N 476.486 -0.164 50 20 JBGD O=C(CCBr)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]c3c1CS(=O)(=O)C3)C2 1795112670 NNEHTZZENVPIAX-WDAIWFPHSA-N 461.338 -0.174 50 20 JBGD CSCC[C@@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C(C)=N/NC(=O)c1ccc[nH]1 1796445601 FRHGRLAEKATVET-WGCSPTNMSA-N 451.549 -0.176 50 20 JBGD CN(CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1C[C@@H](O)C1)NC(=O)NCc1ccccc1 1797150122 FUGHSZNBYPAPTM-CCWOBUHQSA-N 459.547 -0.307 50 20 JBGD C[C@@H](C(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)N1CCN(C)CC1 1807372539 GAYLLUSJYSIJJY-HARLFGEKSA-N 479.390 -0.283 50 20 JBGD COC(=O)[C@@H]1CC[C@@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)C1 1830719340 XMFFZXAQLBXEFC-DRSNIGMVSA-N 468.551 -0.595 50 20 JBGD COCCOCCOCCOCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830734046 ZSLUMBWEYQGCJY-RXVVDRJESA-N 496.985 -0.871 50 20 JBGD CS(=O)(=O)c1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)nc1 1833597082 QLUWNWSZJOBEQQ-MAUKXSAKSA-N 461.924 -0.845 50 20 JBGD Cn1c(C(=O)NC2CCN(C3CCN(C(=O)c4cccc(B(O)O)c4)CC3)CC2)cccc1=O 1834084898 SEOYISJUULPDRS-UHFFFAOYSA-N 466.347 -0.436 50 20 JBGD CCNC(=S)NCC(=O)N1CCOC[C@]2(CN(C(=O)CCBr)CCO2)C1 1834824824 NEKYEOANJNFBJL-INIZCTEOSA-N 451.387 -0.288 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC1CCN(C2CCN(C(=O)CCc3nc(N)n[nH]3)CC2)CC1 1835738064 RWTRXWQHJNXRGI-UHFFFAOYSA-N 484.565 -0.797 50 20 JBGD Cc1nc2ccccn2c1C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835928784 ZKQNEVQEPPNVKB-DEOSSOPVSA-N 478.314 -0.294 50 20 JBGD Cc1nc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)sc1C 1835931600 SFWNPMQCKZSUCI-OAQYLSRUSA-N 459.333 -0.176 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4c3CCCC4)C2)C1 1835935978 YYUDNBDIOQMAGB-QHCPKHFHSA-N 468.319 -0.648 50 20 JBGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837461608 ZPBBYSLUBAKHQB-HNAYVOBHSA-N 455.899 -0.991 50 20 JBGD O=C(COc1ccc(O)nn1)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1839670159 TVSJBFPLFLCXAC-HOCLYGCPSA-N 463.260 -0.292 50 20 JBGD CC[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCS(=O)(=O)CC3)C2)C1 1839963077 ZLJKKNSORKZSPM-CRAIPNDOSA-N 496.424 -0.653 50 20 JBGD COC(=O)[C@@H]1CCC[C@@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)C1 1840145724 PAZKMGZINXYIIU-ROMRWMGNSA-N 488.346 -0.584 50 20 JBGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cn4[nH]cnc(=O)c4c3C)C2)C1 1840154035 IQMBCLJJIYVMPF-QRWLVFNGSA-N 467.910 -0.345 50 20 JBGD COC(=O)NCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc([N+](=O)[O-])ccc3OC(C)=O)C2)C1 1840321271 RCVAFIGULNTPIM-OAQYLSRUSA-N 494.457 -0.054 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(C(N)=O)cc3)CCO2)C1 1840647875 MKHHTJHLAOQQRF-HSZRJFAPSA-N 482.497 -0.832 50 20 JBGD CC(C)(C)OC(=O)N1CCO[C@H](C(=O)N2CC3(CCCN3C(=O)c3ccc(B(O)O)cc3)C2)C1 1843010301 ASAHASNYEWDGHI-SFHVURJKSA-N 473.335 -0.181 50 20 JBGD CC(C)(C)OC(=O)N[C@]1(C(=O)N2CC3(CCCN3C(=O)c3cccc(B(O)O)c3)C2)CCOC1 1843014375 CXICXZVDVNULTR-HSZRJFAPSA-N 473.335 -0.133 50 20 JBGD CN(CC(=O)N1CC2(CCCN2C(=O)c2c[nH]c(=O)cn2)C1)NC(=O)NCc1ccccc1 1844763471 MSHQJJQWBCDPGS-UHFFFAOYSA-N 453.503 -0.067 50 20 JBGD Cc1nc(C)c(CCC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c(=O)[nH]1 12606314 QKEBQMZALBKZRK-UHFFFAOYSA-N 463.516 -0.199 50 20 JBGD C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c2)C[C@@H](C)O1 729276188 YTGJUIAKJHKPRL-JHJVBQTASA-N 462.550 -0.817 50 20 JBGD C[C@H](C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1)N1CSCSC1 1779144171 BAKSVGSWMIQOAT-QRWLVFNGSA-N 465.406 -0.147 50 20 JBGD CN(CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3CNC(=O)C3)C2)C1)NC(=O)NCc1ccccc1 1783164897 GKBDMPAUXBXBKO-JPYJTQIMSA-N 472.546 -0.701 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1ccc(-n2cnnc2)cc1 1786768150 IAGAITUVYQPDLK-NYVOZVTQSA-N 475.314 -0.146 50 20 JBGD CN(CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3C[C@H](O)CN3)C[C@@H]21)NC(=O)NCc1ccccc1 1789726694 NJAUHTKAGJCWMF-SXYSDOLCSA-N 488.589 -0.965 50 20 JBGD CC(C)(C)OC(=O)NCC[C@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21 1789928408 NJCAPJLGOFYYKT-QXKUPLGCSA-N 463.959 -0.159 50 20 JBGD CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21 1789935880 UBOWKICDQKOGSI-GVRJEKJASA-N 463.959 -0.159 50 20 JBGD CN(C)c1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)c1 1795740326 SWWFIVYVOKPXHF-VPTLXERWSA-N 482.302 -0.142 50 20 JBGD CC[C@@H](NC(C)=O)C(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1802879484 GJRHQUNOUBMSAM-HMXCVIKNSA-N 452.320 -0.004 50 20 JBGD CS(=O)(=O)CCC(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807368268 RMPUDKCJOCMTET-XLIONFOSSA-N 459.333 -0.484 50 20 JBGD O=C(COc1ccc(F)cc1)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1834961057 CPMXWAJMYMYTQG-QHCPKHFHSA-N 472.278 -0.346 50 20 JBGD CC[C@H](C)[C@@H](N)C(=O)N1CCO[C@]2(COCCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C2)C1 1835595346 QGLQHFWKYVTFTH-PDTGKNMUSA-N 462.551 -0.050 50 20 JBGD COC(=O)[C@@H]1CC[C@H](C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)C1 1835926627 VJTDQDATSSQIDF-YZZKKUAISA-N 474.319 -0.974 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1)c1ccc(CO)o1 1835927404 JGDRNQDXFRCOPO-UHFFFAOYSA-N 455.320 -0.049 50 20 JBGD COc1cccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)c1 1835931695 XNRVYCYFJHKDQV-QHCPKHFHSA-N 454.288 -0.241 50 20 JBGD CC[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1)N(CC)CC 1837455721 FMDAHSCPWDOYKX-CVDCTZTESA-N 476.578 -0.125 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(-c3ccccn3)[nH]n1)CCO2 1838051209 DJNZNPQNYGCEGD-HSZRJFAPSA-N 485.545 -0.085 50 20 JBGD N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)c1 1838738301 ZXJWRDVHUATWLY-NRFANRHFSA-N 453.459 -0.731 50 20 JBGD CN(C)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CN(C)NC(=O)NCc1ccccc1)CCO2 1839054235 MZWPDRHAGJEUDO-XMMPIXPASA-N 490.605 -0.259 50 20 JBGD O=C(C(O)O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](Br)Cc1ccccc1)CCO2 1839801527 OUOCAVHEJLBEDO-KXBFYZLASA-N 457.321 -0.240 50 20 JBGD CCOC(=O)c1ncn2c1CC[C@@H](C(=O)N1CC3(CCCN3C(=O)c3ccc(B(O)O)cc3)C1)C2 1843012081 BHNDUZTZVIRVRD-QGZVFWFLSA-N 480.330 -0.181 50 20 JBGD Cn1cc(S(N)(=O)=O)cc1C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 21330915 QJRFHLGJARGLHJ-UHFFFAOYSA-N 469.545 -0.078 50 20 JBGD O=C(NCc1nnnn1-c1ccccc1)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 730672178 BLMJQNVSJKNAIZ-UHFFFAOYSA-N 486.514 -0.173 50 20 JBGD COc1cc2c(cc1OC)[C@H](CC(=O)NNC(=O)N[C@H](C)Cn1cncn1)N(S(C)(=O)=O)CC2 749213639 YZFCPZQAEFKWGJ-CJNGLKHVSA-N 495.562 -0.037 50 20 JBGD CCS(=O)(=O)CCOc1ccc(S(=O)(=O)NNC(=O)CNC(=O)c2ccco2)cc1 751283057 SSVAJWMMSCLHDF-UHFFFAOYSA-N 459.502 -0.167 50 20 JBGD C[C@H](CN1CCOCC1)NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 916469608 BSHLQZIHKWELCD-OAHLLOKOSA-N 455.537 -0.628 50 20 JBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2)c1cccn2c(O)nnc12 1777956864 DMQWUZDLBJRAKK-WZONZLPQSA-N 479.302 -0.444 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)c3cc([N+](=O)[O-])cc4c3OCC4)C2)C1 1780091821 QJROBMCMCUQXCY-QHCPKHFHSA-N 481.270 -0.033 50 20 JBGD CCOC(=O)c1cc(C(=O)N2CC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)ccn1 1780319441 LVLKPOCENXJNTQ-QHCPKHFHSA-N 467.287 -0.305 50 20 JBGD CN(CC(=O)N1CCO[C@@]2(CCN(C(=O)CCC(N)=O)C2)C1)NC(=O)NCc1ccccc1 1783152742 VCWRBBOPRKJRKP-JOCHJYFZSA-N 460.535 -0.572 50 20 JBGD COc1ncccc1CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1785309005 NGIBSIANGLYZHE-JBACZVJFSA-N 467.331 -0.004 50 20 JBGD CC(=O)N[C@@H](Cc1cccc(F)c1)C(=O)N1CC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1785453666 CPJJMOSSFJQGQA-WIOPSUGQSA-N 497.332 -0.304 50 20 JBGD COc1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)cc1O 1786983330 MXBXLBVIQJFLDW-JLMWRMLUSA-N 468.315 -0.083 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C3CCC4(CC3)OCCO4)C[C@@H]21)c1cccc(B(O)O)c1 1786985283 YWHDJMLCEUDXJQ-JBACZVJFSA-N 472.347 -0.107 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CC(=O)N(Cc3cccs3)C1)C2)c1ccc(B(O)O)cc1 1795733036 ZPQHPWPKVHQQEX-QSNWEANLSA-N 497.382 -0.320 50 20 JBGD COc1ccccc1OCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795737773 RMNNTJNIWXASAA-FAQVEIGNSA-N 454.288 -0.343 50 20 JBGD Cc1nc2sccn2c1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795739018 MHWLUWDYRIVFIK-SCAQPMJSSA-N 454.317 -0.099 50 20 JBGD CC(=O)N(C)[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN(C)NC(=O)NCc1ccccc1 1799095240 ZWHAUEBKAJQJHM-ALOBAPJISA-N 488.589 -0.211 50 20 JBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(S(C)(=O)=O)ccc1F)C2 1801012770 KRLGAZAOQMAUHG-VTEUUUEMSA-N 484.550 -0.195 50 20 JBGD Cc1cn(CC(=O)N2CC[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)c(=O)nc1O 1807373329 BLZYILPZWVGNJT-RXVVDRJESA-N 491.313 -0.648 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807375485 PEKQDAVWBBISFO-UWJYYQICSA-N 488.313 -0.607 50 20 JBGD CCOC(=O)N[C@H](O)C(=O)N1CC[C@H](CNC(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1813073003 JAMOPVVKPQXEHZ-AYOQOUSVSA-N 464.523 -0.475 50 20 JBGD Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)nn1C 1830952835 DZAARWSQJXETGU-JOCHJYFZSA-N 471.518 -0.960 50 20 JBGD CCC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(=O)n4[nH]nnc4n3)C2)C1 1831645695 FHEAIJGEBJQNJF-KZULUSFZSA-N 453.887 -0.710 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)c3nc(Cl)ccc3F)C2)C1 1835935000 BQFZWXAVQBVCEC-OAQYLSRUSA-N 477.685 -0.062 50 20 JBGD C[C@](Cl)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1839151897 HXRJIASPHWAACI-OALUTQOASA-N 459.135 -0.327 50 20 JBGD CC[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4n(n3)CCNC4=O)C2)C1 1839963132 AQLTUIUOOUPDCB-YJYMSZOUSA-N 484.351 -0.130 50 20 JBGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)CS(C)(=O)=O)C2)C1 1840030637 RBTJRQCPJHSWBD-DVOMOZLQSA-N 455.371 -0.093 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3c[nH]c4nccc-4c3)C2)C1 1840183872 FQINNUUKZIRVQH-JOCHJYFZSA-N 458.519 -0.043 50 20 JBGD CC(=O)O[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1)C(C)C 1840184411 KOZGJDMVYOPSPN-PZJWPPBQSA-N 456.540 -0.597 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCNC(=O)OC(C)(C)C)C2)C1 1840187317 RZFNAXIFQYAJCH-JOCHJYFZSA-N 485.582 -0.269 50 20 JBGD O=C(COC(=O)[C@@H]1C[C@H](O)CN1C(=O)c1ccc(F)cc1)NNC(=O)[C@@H]1COc2ccccc2O1 728344847 QTZRNCYJXAJWFZ-BXWFABGCSA-N 487.440 -0.068 50 20 JBGD O=C(CNC(=O)c1ccco1)NNS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 751283168 UOYKGJKXRRFRQU-UHFFFAOYSA-N 456.502 -0.196 50 20 JBGD Cc1nc(N2CCOCC2)nc(O)c1CCC(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 837089142 MIJUNBQFLXTENH-UHFFFAOYSA-N 453.463 -0.303 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@]2(CN(C(=O)CC[C@@H](N)C(N)=O)CCO2)C1 1780096853 IVULLBROSBEEPV-IIBYNOLFSA-N 477.474 -0.444 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](O)N1CCOCC1)CCO2 1780097609 AFJQZRIDGSSZNJ-UNMCSNQZSA-N 492.485 -0.386 50 20 JBGD C[C@H](NC(=O)c1ccc(F)cc1)C(=O)N1CC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1780904446 IUFAKMSMTNKHHN-UPCLLVRISA-N 483.305 -0.233 50 20 JBGD COc1cccc(CCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)n1 1785227263 JKVBLGIEZIGOKU-YYWHXJBOSA-N 467.331 -0.004 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CN(C(=O)OC(C)(C)C)CCO3)C2)C1 1785725918 VCACMFSQXQFSCW-UZUQRXQVSA-N 497.593 -0.175 50 20 JBGD O=C1COc2ccc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)c3ccc(B(O)O)cc3)cc2N1 1795734755 YYMPZKIJAUIYEO-VPTLXERWSA-N 465.271 -0.786 50 20 JBGD COc1ccc(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)cn1 1795737425 ZYLTZMOSUPFRPQ-OPMZPASUSA-N 453.304 -0.394 50 20 JBGD COc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)cc1N(C)C 1795739778 LSNHEOIBECCSFP-OPMZPASUSA-N 467.331 -0.042 50 20 JBGD O=C1CCc2ccc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)c3cccc(B(O)O)c3)cc2N1 1795741444 ZIVVIGLWNSQMDK-OPMZPASUSA-N 463.299 -0.232 50 20 JBGD CC[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCN(C(C)=O)CC1 1797307518 BQNQJOXNIVGNLA-KYHPRHEASA-N 459.385 -0.086 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797750942 WKJAEKJENARNAI-DWWIETNTSA-N 482.501 -0.978 50 20 JBGD O=C1CCc2ccc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)c3ccc(B(O)O)cc3)C4)cc2N1 1800100366 ZKTCDYVNZVYZST-OPMZPASUSA-N 463.299 -0.232 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)CN2CC(=O)NC2=O)n[nH]1 1815667919 MLTXYFQFMKINKN-AWEZNQCLSA-N 469.462 -0.734 50 20 JBGD CN(C)NC(=O)CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1822414601 WUJBITDKVJFLMW-KRWDZBQOSA-N 456.312 -0.232 50 20 JBGD O=C(Cc1cncnc1)NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1833860829 OXDNXXRSVLDNSA-UHFFFAOYSA-N 451.336 -0.416 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnc(C)cn1)CCO2 1834082357 VVABBGLMJLNSKQ-SYOQMXFQSA-N 469.502 -0.011 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)c3cc(O)ncn3)CC2)CC1)c1ccc(B(O)O)cc1 1834798138 WECKRZMWYAMLLA-UHFFFAOYSA-N 453.308 -0.639 50 20 JBGD CN1CCN(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)CCBr)C3)C2)CC1 1835401002 SJOPHMKQSWMCMT-LJQANCHMSA-N 461.401 -0.135 50 20 JBGD CC[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)C[C@H](NC)C(=O)O)CCO2)C1 1835764233 QWALYLOYFADIGV-GDZNZVCISA-N 450.330 -0.321 50 20 JBGD C=CCCc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)c(O)n1 1835929501 RQUCYAVBCYGCGE-VWLOTQADSA-N 495.341 -0.031 50 20 JBGD O=C(CCN1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835929615 YNLNEDRBEFNJML-QHCPKHFHSA-N 459.352 -0.688 50 20 JBGD COc1ccc(COCC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)cc1 1835939848 KVSRATJVHNPPKK-VWLOTQADSA-N 498.341 -0.338 50 20 JBGD C[C@@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837455683 DKYNFJYNNGNNSB-ORAYPTAESA-N 484.351 -0.214 50 20 JBGD CN(C)c1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)cn1 1837459050 IGAPBHHDGKEOIR-QHCPKHFHSA-N 483.529 -0.470 50 20 JBGD O=C(CN1CCOCC1)N1CCC(OC2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1837803249 LROZAYOUDXJHDY-UHFFFAOYSA-N 459.352 -0.689 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccnc(Cl)n1)CCO2 1837921950 WMOSRNACQSYAPF-HXUWFJFHSA-N 460.683 -0.806 50 20 JBGD Cn1ccc2c(O)ncc(C(=O)N3CCO[C@@]4(COCCN(C(=O)[C@H](O)CCl)C4)C3)c21 1838433529 HISYCPKDANRBKR-QRWLVFNGSA-N 452.895 -0.051 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(O)c(F)c1)CCO2 1839304335 VYGDFCHKLNJFGC-QFIPXVFZSA-N 458.251 -0.405 50 20 JBGD O=C1Cc2cccc(C(=O)N3CCO[C@]4(COCCN(C(=O)c5cccc(B(O)O)c5)C4)C3)c2N1 1839573155 NIGQSAUJAMZCGB-DEOSSOPVSA-N 479.298 -0.755 50 20 JBGD N#C/C(=C\c1ccc(F)cc1F)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(N)=O)C2)C1 1839743793 VKIAYMAXQITWAE-LFEYGZQNSA-N 463.441 -0.004 50 20 JBGD Cc1nc(F)ccc1C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840185044 FVAOKGIXVIKKIV-NRFANRHFSA-N 451.499 -0.028 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC(c4ccccc4)=NN3)C2)C1 1840185737 WLHLBRAGKRRNKD-HYBUGGRVSA-N 486.573 -0.418 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3cnccn3)CCO2)C1 1840457044 CXLNQXSMVCLZNK-PKNRUHJYSA-N 483.529 0.000 50 20 JBGD Cc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)o1 1840507301 CHALPTLWQRUOSA-QFIPXVFZSA-N 457.487 -0.101 50 20 JBGD COCCOCCOCCOCCC(=O)N1CCCC12CN(C(=O)c1ccc(B(O)O)cc1)C2 1845245555 VNXMWNCXWSRPPZ-UHFFFAOYSA-N 478.351 -0.730 50 20 JBGD CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)N1CCCC12CN(C(=O)c1cccc(B(O)O)c1)C2 1846217071 KNZGVTOSYSFTPO-MSOLQXFVSA-N 473.335 -0.446 50 20 JBGD Cc1ccc(C(=O)NCC(=O)N2CC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)cc1 1785566535 JXJOLOKCAAKQMJ-HSZRJFAPSA-N 459.547 -0.072 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)n(C)n3)[C@H]2C1 1785592548 DTYOZXPIBNHNEG-JHUKZBBPSA-N 457.491 -0.147 50 20 JBGD COc1nn(C)cc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21 1785863924 HIFFAZFYAHNPRN-NUTKFTJISA-N 457.491 -0.666 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CCNC(=O)C3)[C@H]2C1 1791346204 WHFAXRXOZDRYTQ-IRSIXNSJSA-N 458.519 -0.374 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)[C@H]1CCc2ccccc2[C@@H]1O 1793036642 YYKULCIBSSPDNA-MHYJACLRSA-N 464.327 -0.134 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2)c1ncn2nc(N3CCOCC3)ccc12 1795968794 PTMNQYMYSPKNOW-CXHZTBPHSA-N 478.937 -0.631 50 20 JBGD COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)cc1C 1832089425 UDRATGQOPWTNKN-VWLOTQADSA-N 482.342 -0.004 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCC(N2CCC(NC(=O)[C@H]3CCC(=O)NC3)CC2)CC1 1833122942 LXNFZNVULYZCML-HNNXBMFYSA-N 471.562 -0.604 50 20 JBGD COc1ccccc1CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835932256 WSALOWMBMLUJPT-DEOSSOPVSA-N 468.315 -0.312 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)C3CCC(CO)CC3)C2)C1 1835934121 OOVKQWMMAUUCCK-KXXGJQBSSA-N 460.336 -0.765 50 20 JBGD O=C(C[C@H]1CNc2ccccc2O1)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835938048 HCZQPLIVIWRIPQ-CPJSRVTESA-N 495.341 -0.300 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1ON=C(c3ccccc3)O1)CCO2 1837297677 YFEGJKFUOGXGGY-GOTSBHOMSA-N 489.529 -0.450 50 20 JBGD C[C@@H]1CCc2c(C(=O)N3CCOC[C@]4(CN(C(=O)c5cnccc5C(=O)NN)CCO4)C3)n[nH]c21 1837459436 PAWYHZXOZCLVFF-FATZIPQQSA-N 483.529 -0.158 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1837460045 ZTBSRHDKYRETSK-UZLDXKMBSA-N 490.517 -0.716 50 20 JBGD C[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)COc3ccc(O)nn3)CCO2)C1 1839670760 ZVGBDIGEYMXNSN-PXAZEXFGSA-N 459.297 -0.199 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1Cc3ccccc3N1)CCO2 1839735312 ZZKZOXQGKFPKLD-XUZZJYLKSA-N 465.315 -0.527 50 20 JBGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1840153662 XDNOZGKPHNUVHP-DNVCBOLYSA-N 455.899 -0.991 50 20 JBGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)NC(=O)c3ccccn3)C2)C1 1840155775 HXAXQAIDQIOKQS-GCKMJXCFSA-N 468.938 -0.090 50 20 JBGD Cc1nn(C)c(C(=O)N2CCOC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)c1F 1840183616 PSBFZUUAHGEZMR-FQEVSTJZSA-N 454.503 -0.689 50 20 JBGD C[C@H](NC(=O)c1cnccn1)C(=O)N1CCOC[C@@]2(CN(C(=O)C(Cl)Cl)CCO2)C1 1840188420 INCQFOQZSQHEHB-SGTLLEGYSA-N 460.318 -0.145 50 20 JBGD Cc1nn(C)c(C)c1CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1840436227 TUZDUVMNLGNYNA-QHCPKHFHSA-N 470.335 -0.971 50 20 JBGD CC(C)(C)OC(=O)N[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1)C(C)(C)O 1840916726 ZSVIXGHDCOTSNR-VTJXTGGHSA-N 493.985 -0.293 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCCC12CN(C(=O)CN(C)NC(=O)NCc1ccccc1)C2 1846385436 GARUTSZEAUFGGC-UHFFFAOYSA-N 473.578 -0.091 50 20 JBGD CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)N2CCCC23CN(C(=O)c2ccc(B(O)O)cc2)C3)C1 1847152390 UZHNKKSCNPHSHH-GOSISDBHSA-N 473.335 -0.181 50 20 JBGD Cc1cc(NC(=O)CN2CCN(C(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)CC2)no1 22422960 JREKRBQYABXHJF-UHFFFAOYSA-N 454.451 -0.431 50 20 JBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)CCNS(=O)(=O)c2cn(C)c(C)n2)cc1 725879015 ALJQCDPXRRBTIQ-UHFFFAOYSA-N 486.576 -0.827 50 20 JBGD Cc1nc(S(=O)(=O)NCCC(=O)NNC(=O)C2CCN(c3ncccn3)CC2)cn1C 728890350 MWZLSVLQZMZIOH-UHFFFAOYSA-N 450.525 -0.749 50 20 JBGD CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)o1 915141533 JGEZZWHGSFNDQM-RYUDHWBXSA-N 477.517 -0.809 50 20 JBGD CN(C)c1ccncc1C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779028860 PEFREHONBXLCGC-JOCHJYFZSA-N 453.503 -0.097 50 20 JBGD C[C@](O)(CC(=O)O)CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnccc2C(=O)NN)C1 1779374699 DDXTWOTZVYVLAX-NPFVIJTESA-N 477.518 -0.572 50 20 JBGD COC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cccc([N+](=O)[O-])c3=O)[C@H]2C1 1790655353 NAKMBDLPYFIALB-YXWQFLTLSA-N 456.883 -0.010 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(OCCCO)cc1)C2)c1ccc(B(O)O)cc1 1795735174 NCIIABWXKFKQDL-HATOLVCRSA-N 468.315 -0.355 50 20 JBGD O=C(NCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1)c1ccccc1 1795740648 CZHQPEZQBOFUEQ-HATOLVCRSA-N 465.315 -0.610 50 20 JBGD O=C(NC[C@@H]1CCN(C(=O)c2cc3n(n2)CCNC3=O)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807361426 AKWVPRUTZFTINI-UWJYYQICSA-N 488.313 -0.665 50 20 JBGD CCS(=O)(=O)CC(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807361897 YDIOSUZCNHHMMR-FXAWDEMLSA-N 459.333 -0.484 50 20 JBGD CN1CCN(C2(C(=O)NC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)[C@H]3c3cccnc3)CC2)CC1 1807941012 OXSOYSUMLVFROP-GMAHTHKFSA-N 491.401 -0.139 50 20 JBGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](NC(=O)c3ccccc3)[C@@H](C)O)CCO2)C1 1830352930 UWPRHRBJEQLUHX-YQYRJILISA-N 497.976 -0.124 50 20 JBGD COC(=O)c1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)c(C)c1 1835934170 OEMTUYDCPFHAEM-RUZDIDTESA-N 496.325 -0.155 50 20 JBGD NC[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1)c1ccccc1 1835935917 XFKKHWYTHIHKTA-URXFXBBRSA-N 467.331 -0.821 50 20 JBGD Cc1cc(O)c([N+](=O)[O-])cc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835939397 PHPPUODGULIOAI-HSZRJFAPSA-N 499.285 -0.328 50 20 JBGD C[Si](C)(C)OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1n[nH]c3c1CS(=O)(=O)C3)CCO2 1836258078 RNTGMKHOHCZOMS-IBGZPJMESA-N 486.623 -0.240 50 20 JBGD Cn1ncnc1C(=O)N1CCC(OC2CCN(C(=O)c3cnccc3C(=O)NN)CC2)CC1 1837370541 JBTFGVAOMPGLGJ-UHFFFAOYSA-N 456.507 -0.260 50 20 JBGD COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)c1 1838581812 RCWSVNPHOZBHTN-DEOSSOPVSA-N 479.298 -0.370 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCc3ccccc3O1)CCO2 1840136559 DDBNQOUBRLTRKT-RCZVLFRGSA-N 480.326 -0.170 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1[C@H]3COC[C@H]31)CCO2 1840607943 XGPLYKRCHKSAQG-GPFDKPDNSA-N 459.503 -0.531 50 20 JBGD C[C@@H](O)[C@H](NC(=O)c1ccccc1)C(=O)N1CCCC12CN(C(=O)c1ccc(B(O)O)cc1)C2 1841223649 IZFZEZJJZLTWCX-UZLBHIALSA-N 465.315 -0.637 50 20 JBGD C#CC(=O)N1CCCC12CN(C(=O)[C@H](Cc1ccc(B(O)O)cc1)NC(=O)OC(C)(C)C)C2 1845959026 ZPEMYMOXWRCLMA-SFHVURJKSA-N 455.320 -0.361 50 20 JBGD CC(C)(C)OC(=O)N1CC[C@H](C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2ccc(B(O)O)cc2)[C@H](O)C1 1847233619 BPLJFJGMWVXGOL-LWYYNNOASA-N 487.362 -0.200 50 20 JBGD CC(C)NC(=O)C(=O)NNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1 744446657 HMPHODLUAPWFJK-UHFFFAOYSA-N 481.575 -0.017 50 20 JBGD CCc1n[nH]cc1C(=O)NNC(=O)Cn1c(=O)c2c(ncn2CCOC)n(Cc2ccccc2)c1=O 918016362 GTQODNQFZSJXJH-UHFFFAOYSA-N 494.512 -0.199 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)c3cc4cccnn4n3)CCO2)C1 1779032769 UWEFHQMAZPOASL-OAQYLSRUSA-N 450.459 -0.515 50 20 JBGD CN(CC(=O)N1CCO[C@]2(CCN(C(=O)c3ncon3)C2)C1)NC(=O)NCc1ccccc1 1779870296 JHACMXINZJEFTI-OAQYLSRUSA-N 457.491 -0.141 50 20 JBGD CN(CC(=O)N1CC[C@@]2(C1)CN(C(=O)C(=O)N(C)C)CCO2)NC(=O)NCc1ccccc1 1780968505 BFSIYYFAYIOWRP-JOCHJYFZSA-N 460.535 -0.749 50 20 JBGD CN(C)c1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)nc1 1786984561 OOUNBEWPXYJBGD-LRQRDZAKSA-N 452.320 -0.266 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)[C@@H](O)Cc1ccccc1 1790955248 QFSQAVSJAVCBPG-QESAQDPVSA-N 452.316 -0.437 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCc3ccccc3[C@@H]1O)C2)c1ccc(B(O)O)cc1 1795732761 HBLIKGFUQIMILM-MHYJACLRSA-N 464.327 -0.134 50 20 JBGD CN(C)NC(=O)CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)CN(C)C(=O)C(=O)O)[nH]n1 1822416707 LGBNJLQUIPBBCL-CYBMUJFWSA-N 451.484 -0.682 50 20 JBGD COC[C@H](NC(C)=O)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)CBr)CCO2 1830539294 GCPUDIJSBRSNEE-YEWWUXTCSA-N 464.357 -0.375 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)CC1 1831872000 YQVDLSWNRGHXAE-HOTGVXAUSA-N 450.540 -0.423 50 20 JBGD COc1cccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)n1 1832764197 FFCOORCTQPEUOY-HSZRJFAPSA-N 469.303 -0.917 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCC(N2CCC(NC(=O)CS(C)(=O)=O)CC2)CC1 1834569660 LPJYZZSKHNJOJU-BUVRLJJBSA-N 480.591 -0.263 50 20 JBGD NC(=O)CC[C@H](N)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](F)Br)CC2)CC1 1834674395 MCJNAKZGGCDQMV-DZGCQCFKSA-N 450.353 -0.159 50 20 JBGD N[C@@H](C(=O)NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1)c1ccccn1 1834722988 XGYIOJXLBAGOFZ-JOCHJYFZSA-N 465.363 -0.353 50 20 JBGD C[Si](C)(C)OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835930791 ZROJVVWPZBZEDA-HXUWFJFHSA-N 450.373 -0.712 50 20 JBGD Cc1cccc(/C=C/C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)n1 1835934231 QNNKMOSRGULTRV-HCXLOTKHSA-N 465.315 -0.147 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)NC=O)C2)C1 1838528429 WQHRVKTYGCQLPF-SZNDQCEHSA-N 478.458 -0.275 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)C1(Br)CC1)CCO2 1839207255 LQBPXXLOJCDLKT-SFHVURJKSA-N 467.125 -0.636 50 20 JBGD Cn1cc2cc(C(=O)N3CCO[C@@]4(COCCN(C(=O)c5cnccc5C(=O)NN)C4)C3)ccc2n1 1839505360 JHMZGQQNPHGLKH-DEOSSOPVSA-N 493.524 -0.044 50 20 JBGD Cc1ncc(/C=C/C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)s1 1840518614 QCTPOWHMLQZWAK-WMWRJIBUSA-N 471.344 -0.085 50 20 JBGD COC(=O)[C@@H]1CC[C@H](C(=O)N2CCO[C@@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)C1 1779029397 RDFOATJYDJEYOT-SMASLZHESA-N 459.503 -0.282 50 20 JBGD COC(=O)c1ccc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)s1 1780896983 XZDINEQBPGAEEQ-JOCHJYFZSA-N 472.328 -0.099 50 20 JBGD CS(=O)(=O)c1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)c1 1792696781 YRCGVNFLRGZWAY-XEMDLRDOSA-N 472.328 -0.713 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)[C@H]1CC(=O)N(C2CCCC2)C1 1793777386 RQTVZYGDZAHAEE-AYMMHLMVSA-N 469.347 -0.639 50 20 JBGD COc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)c(O)c1OC 1797754002 OEKDZVBAHVFCJY-IVWMJMPLSA-N 485.497 -0.075 50 20 JBGD COc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)cc1NC(C)=O 1798608868 JPZNHADZNWJFLF-OPMZPASUSA-N 481.314 -0.150 50 20 JBGD COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1800950745 JZBKHOVHYKSQGM-ZRSLWSEBSA-N 456.304 -0.675 50 20 JBGD CN1C(=O)CC[C@H]1C(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807366882 PNENQYVOWKSURI-LMNJBCLMSA-N 450.304 -0.298 50 20 JBGD O=C(NC[C@H]1CCN(C(=O)CN2CCOCC2)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807371189 QWEJMLURKQTHGL-KNQAVFIVSA-N 452.320 -0.587 50 20 JBGD COC[C@H](NC(C)=O)C(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807373371 ACUZGWGSSSTEFB-SESVDKBCSA-N 468.319 -0.768 50 20 JBGD C[C@@H](C(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1)N1CCN(C)CC1 1807894208 ZLODILOEBRNUQZ-AVCGJXAMSA-N 479.390 -0.283 50 20 JBGD NC(=O)c1nccnc1C(=O)N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815360631 KPQQINUMEHMWCY-LBPRGKRZSA-N 466.288 -0.749 50 20 JBGD Cc1cn(CC(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2cccc(B(O)O)c2)CC3)c(=O)nc1O 1827990768 ZLXNJOVZPRWAIC-AWEZNQCLSA-N 483.315 -0.680 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CC(c3ccccc3)=NO1)CCO2 1831254454 JOPLKVFPNMZDHP-RDGATRHJSA-N 493.325 -0.370 50 20 JBGD Cc1onc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)c1C 1831977558 GRFWPYHWWZFZBE-OAQYLSRUSA-N 458.475 -0.326 50 20 JBGD COc1cccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)n1 1832764140 CAEWFVKVIANICC-QHCPKHFHSA-N 469.303 -0.917 50 20 JBGD C[C@@H](Nc1cccnc1)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1835686452 BVZFTVLVXXTDPA-UZUQRXQVSA-N 468.319 -0.668 50 20 JBGD C[C@H](Cc1ccco1)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835933973 KIIWNMJWODXTCL-UZUQRXQVSA-N 456.304 -0.092 50 20 JBGD O=C(CCc1cc(F)ccn1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835935051 DBRLCAKTVCSPMN-HSZRJFAPSA-N 471.294 -0.397 50 20 JBGD C[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835940024 TUKXNOLZMRJUQB-SCLBCKFNSA-N 455.114 -0.780 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1Cc3ccccc3O1)CCO2 1836647092 BJBGLIJOTICROW-XUZZJYLKSA-N 466.299 -0.560 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)CSc3ncccn3)C2)C1 1837457565 JLBSSGALOMZZKU-NRFANRHFSA-N 487.542 -0.663 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCC(OC2CCN(C(=O)CN3CCNC3=N)CC2)CC1 1837860705 PPOCYQKIATVMLX-JVWAILMASA-N 486.577 -0.041 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCC(OC2CCN(C(=O)c3nc4ncccn4n3)CC2)CC1 1837920253 LMRHHTFWVNTIMX-UHFFFAOYSA-N 478.318 -0.270 50 20 JBGD CC(C)n1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)n1 1838783570 FFTMEQYZHCVLEG-JOCHJYFZSA-N 456.308 -0.472 50 20 JBGD C[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1840031865 FFMZTJKEEUTQNN-ACJLOTCBSA-N 455.114 -0.780 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4cccnc4nc3O)C2)C1 1840185707 VTTBUIFCACCJLW-HSZRJFAPSA-N 486.529 -0.222 50 20 JBGD C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1)c1ccccn1 1840501617 JRNREDYKWMHMLL-QMHKHESXSA-N 468.514 -0.046 50 20 JBGD CC(C)(C)OC(=O)N1CCOC[C@H]1C(=O)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843013786 NFRKETOKUFDHLD-SFHVURJKSA-N 473.335 -0.181 50 20 JBGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)CN1CSCC1=O 21197804 TVHPNIMIHZEHPM-UHFFFAOYSA-N 456.546 -0.680 50 20 JBGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=S)NCCNS(C)(=O)=O)c1 727064787 BVDGFJURLUQKKF-UHFFFAOYSA-N 451.596 -0.625 50 20 JBGD CC(=NNC(=O)N[C@@H]1CCS(=O)(=O)C1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 729816692 PZBUTEIGPWIRHF-CYBMUJFWSA-N 466.563 -0.378 50 20 JBGD O=C(COC(=O)CNS(=O)(=O)c1ccccc1F)NNC(=O)[C@H]1COc2ccccc2O1 848387837 XIBNIQCHTVLRBB-OAHLLOKOSA-N 467.431 -0.365 50 20 JBGD COC(=O)N(C)CC(=O)NNC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1S(C)(=O)=O 920436511 QLPJQFQQMMMXHI-CQSZACIVSA-N 472.520 -0.202 50 20 JBGD C[C@@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnccc2C(=O)NN)C1)n1ccnn1 1779374199 KASFIQJUZGQLMI-AVBTWRTFSA-N 456.507 -0.335 50 20 JBGD COC(=O)[C@@H]1CC[C@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cnccc4C(=O)NN)C[C@@H]32)C1 1784080493 OFFUCJABVDFVTR-HZMZCJTDSA-N 473.530 -0.132 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(N4CCOCC4)n3)C[C@@H]21)c1ccc(B(O)O)cc1 1786979931 QKMLWVDEKLPJJU-VCOUNFBDSA-N 494.357 -0.495 50 20 JBGD COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)n1 1786979999 XVRVTRBZVUYSNR-ZVZYQTTQSA-N 484.274 -0.415 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CC[C@H]4CCC(=O)N4C3)C[C@@H]21)c1ccc(B(O)O)cc1 1786981874 NTVRDEXGNASWOR-XYYCENQHSA-N 469.347 -0.639 50 20 JBGD CN(CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCC(=O)N1)NC(=O)NCc1ccccc1 1795389504 JMIADFISXVRQMA-BMQTXXJKSA-N 472.546 -0.799 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@@H]1CNc3ccccc3O1)C2)c1ccc(B(O)O)cc1 1795734658 VOPKJOSFQARERY-PDPLOHQNSA-N 465.315 -0.167 50 20 JBGD Cc1nc[nH]c1CSCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1797662562 LQZQMYMOQYSREL-CWPLJXCYSA-N 458.349 -0.465 50 20 JBGD CS(=O)(=O)CC(=O)NC[C@@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1806768428 JTUYXECAJGMMTR-KSSFIOAISA-N 460.516 -0.556 50 20 JBGD C[C@H](C(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1)N1CCN(C)CC1 1807364597 GONKCCDNWPSLTP-AAIMPIBUSA-N 479.390 -0.283 50 20 JBGD O=C([C@H](O)CCl)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1C[C@H](O)CN1)CCN2C(=O)OCc1ccccc1 1829202211 CJNGPZQGFGTCQY-PABYOWBDSA-N 494.976 -0.239 50 20 JBGD COC(=O)[C@@H]1CC[C@H](C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)C1 1830716074 SQULVTNMJYJVLH-NXHTTZLHSA-N 489.529 -0.656 50 20 JBGD O=C(C[C@@H]1NC(=O)NC1=O)NC1CCN(C2CCN(C(=O)[C@@H](F)Br)CC2)CC1 1833765750 JGFORMFTAHHYLX-GXTWGEPZSA-N 462.320 -0.153 50 20 JBGD Cc1cnc(C(=O)NC2CCN(C3CCN(C(=O)c4ccc(B(O)O)cc4)CC3)CC2)cn1 1834161232 QCEWLPRLAZCCHQ-UHFFFAOYSA-N 451.336 -0.036 50 20 JBGD COCCn1nccc1C(=O)NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1835179419 BHDSDUVJXOJHJG-UHFFFAOYSA-N 483.378 -0.292 50 20 JBGD CC[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1)N(CC)CC 1835934292 UGEMLYPUZPIOIK-NZQKXSOJSA-N 461.368 -0.443 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c[nH]c4ncccc34)C2)C1 1837458769 BEBOEONWZBIHHW-HSZRJFAPSA-N 479.497 -0.055 50 20 JBGD CCOC(=O)O[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837459322 CQCGFFSCSKNVHB-LHSJRXKWSA-N 479.490 -0.683 50 20 JBGD CC[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837460304 AEHDYOCKNKRJIC-HNAYVOBHSA-N 484.351 -0.071 50 20 JBGD C[C@H](NC(=O)c1cnccn1)C(=O)N1CCO[C@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1 1837608657 HKIWSIKJWSAXBW-KKSFZXQISA-N 479.610 -0.097 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc3cccnn3n1)CCO2 1838431061 HQCPZMZPGRVYAM-NRFANRHFSA-N 459.507 -0.828 50 20 JBGD CCOc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)nn1 1838831931 ABCCSVBBFIZVFL-OAQYLSRUSA-N 464.523 -0.682 50 20 JBGD C[C@H](Oc1ccccc1)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1839950556 UIUFJCOTUCHTKE-MHECFPHRSA-N 468.315 -0.096 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnc(Cl)n3)C2)C1 1840185965 XYAFTPDTPWWKTR-LJQANCHMSA-N 454.915 -0.427 50 20 JBGD CCn1cnc2c1c(=O)n(CC(=O)NNC(=O)c1cnn(C)c1)c(=O)n2Cc1ccccc1 10161476 DYJMGPSBPXXLBO-UHFFFAOYSA-N 450.459 -0.377 50 20 JBGD C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)NNC(=O)[C@H]3CCS(=O)(=O)C3)c2)C[C@@H](C)O1 15639690 RFKJJIJQIXMZKF-NFAWXSAZSA-N 459.546 -0.320 50 20 JBGD CCN1CCN(CC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)C(=O)C1=O 916096091 GIZHWLJVIUBYRE-UHFFFAOYSA-N 465.532 -0.687 50 20 JBGD O=C(CCNS(=O)(=O)c1cccc(Br)c1)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 919886384 VZYCNNOZZKQRGP-LLVKDONJSA-N 483.366 -0.365 50 20 JBGD Cn1c(=O)c2c(CC(=O)N3CC[C@H]4CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]4C3)csc2n(C)c1=O 1784093263 UDNGGDDDTRIYSJ-MHEUCROKSA-N 498.989 -0.579 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)[C@H]1Cc2ccccc2O1 1788183009 QWLNBDMACFXVRQ-BZNRXQDOSA-N 450.300 -0.037 50 20 JBGD C[C@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCS(=O)(=O)CC1 1793835684 UHWHAJGCWOXYLD-HGTKMLMNSA-N 466.398 -0.663 50 20 JBGD Cc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)ncc1[N+](=O)[O-] 1796599367 FJVNRPNVENXPTQ-CCWDJLKJSA-N 454.248 -0.505 50 20 JBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]c(C3CC3)c1F)C2 1797749882 ZZQNMGGCTQVJIN-DRXBFXEBSA-N 457.466 -0.058 50 20 JBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1Cc3ccccc3O1)C2 1797750599 LNRDFPMRRDEHKT-VZJWBNGJSA-N 451.483 -0.108 50 20 JBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc3c(c1)NC(=O)CS3)C2 1797753626 CKSZBKDGXIPTNG-IVWMJMPLSA-N 497.537 -0.359 50 20 JBGD COC(=O)C1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CN(C)NC(=O)NCc2ccccc2)CC1 1799097225 KNLMSNIMGJVQFU-OPVJXMOQSA-N 487.557 -0.125 50 20 JBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CC(=O)CN1C(=O)OC(C)(C)C)C2 1801010545 FQDVSVHQDUBGEE-MQJTVSLUSA-N 495.577 -0.473 50 20 JBGD O=C(COc1cccnn1)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1813389673 TXSBTIBZLPLJRT-XMSQKQJNSA-N 461.287 -0.050 50 20 JBGD NNC(=O)c1ccncc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H](O)N2CCOCC2)[nH]n1 1819403367 GSFOCDAZTRDYBT-UZLBHIALSA-N 472.506 -0.635 50 20 JBGD CC(=O)OC[C@H](OC(C)=O)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1819431462 UULQPRRBZDOCAL-MOPGFXCFSA-N 486.290 -0.110 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H](O)N2CCOCC2)n[nH]1 1819445712 CFDOSJNDFWKIIF-KKSFZXQISA-N 472.506 -0.635 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CNC(=O)O1)CCO2 1831571814 NLEPCUSTGOIGCN-LAUBAEHRSA-N 492.441 -0.302 50 20 JBGD C[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)CCBr)CCO2)C1)N1CCN(C)CC1 1834824008 QUJNAJQTVWGJRD-QFBILLFUSA-N 461.401 -0.136 50 20 JBGD N#Cc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)cc1 1835926219 INXZJLGRNFPILN-XMMPIXPASA-N 463.299 -0.449 50 20 JBGD O=C(c1ccc2nonc2c1)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835936820 FKTZTULITCMIPB-QFIPXVFZSA-N 466.259 -0.714 50 20 JBGD CCc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)n(C)n1 1835938097 KWBIBKKOSXMSSA-JOCHJYFZSA-N 456.308 -0.954 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)c3cccc4ccnn34)C2)C1 1835939605 UZVRYNAMNAGHHA-QHCPKHFHSA-N 464.287 -0.602 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc4[nH]ccc4n3)CCO2)C1 1836906515 IMZJXNLEGSRPON-HSZRJFAPSA-N 479.497 -0.055 50 20 JBGD C[C@](Cl)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1839151938 INGNCYMUSSTHIL-RBUKOAKNSA-N 459.135 -0.327 50 20 JBGD C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1839175024 KCMJGONYLVYJGZ-JOCHJYFZSA-N 475.502 -0.736 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccccc3O)CCO2)C1 1839908588 NYMOQMLUOJUEKD-HSZRJFAPSA-N 469.498 -0.297 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c(C4CC4)c3F)C2)C1 1840183579 MTYMQFAJPJRAQP-OAQYLSRUSA-N 466.514 -0.131 50 20 JBGD CCNC(=O)N[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnccc2C(=O)NN)C1 1779372201 BFKMEHYRLUJIRE-UZSYQUHHSA-N 475.550 -0.480 50 20 JBGD CC(=O)N[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)CN(C)NC(=O)NCc3ccccc3)CCO2)C1 1783179217 RUDNIBZZRNFDFB-GAJHUEQPSA-N 474.562 -0.313 50 20 JBGD CC[C@@H](Br)C(=O)N1CC[C@]2(CN(C(=O)CN3CCS(=O)(=O)CC3)CCO2)C1 1783342397 ISGXBFRPSCGXON-PBHICJAKSA-N 466.398 -0.280 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC1(c2ccc(NC(=O)CN3CC(=O)NC3=O)cc2)CCC1 1786684675 DYQJTCZMDOHGQC-UHFFFAOYSA-N 465.470 -0.015 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc4snnc4c3)C[C@@H]21)c1ccc(B(O)O)cc1 1786981064 NUQAZWOPRCCDEY-OWQGQXMQSA-N 467.316 -0.327 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1cccn(C(F)F)c1=O 1788797934 BDPAVLCDFJZRBV-WBAXXEDZSA-N 475.257 -0.170 50 20 JBGD CN(CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CNC(=O)O1)NC(=O)NCc1ccccc1 1793419366 VVQYSZKDTLBBQP-ZMMAXQRCSA-N 474.518 -0.969 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795732996 UWSPCCFNYIISGP-MVJTYMMSSA-N 495.769 -0.298 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2)c1cccc(B(O)O)c1 1795740483 APPWYSHPSAZNLI-ZSBFGKGUSA-N 460.679 -0.052 50 20 JBGD Cc1cnc2c(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)c3cnccc3C(=O)NN)C4)cnn2c1 1797420244 LTRGYSYDCUVLCY-ZSBFGKGUSA-N 464.486 -0.447 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)N1CCN(C)CC1 1799183532 DBUHOCHBHSGSBY-WLYJJTDJSA-N 473.578 -0.654 50 20 JBGD Cn1c(=O)c2c(ncn2CC(=O)N2CCCC3(CCN(C(=O)[C@H](O)CCl)CC3)C2)n(C)c1=O 1806900003 XSXHFZFEZXMGBS-CQSZACIVSA-N 480.953 -0.735 50 20 JBGD O=C(CN1CCCC1=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1806920234 FSRGCTMJEUVRDG-XMSQKQJNSA-N 450.304 -0.297 50 20 JBGD CC(=O)c1cc(C(=O)N2CCC(N3CCC(NC(=O)c4ccc(B(O)O)cc4)CC3)CC2)n[nH]1 1834797427 KEHCEIZEFHAVEY-UHFFFAOYSA-N 467.335 -0.209 50 20 JBGD CNC(=S)NCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)Br)C2)C1 1837467888 UVADKBPGSIQGHR-BLLLJJGKSA-N 451.387 -0.290 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837493523 IRDMJFKTPUVPJA-HSZRJFAPSA-N 464.563 -0.486 50 20 JBGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCNC(=O)OC(C)(C)C)CCO2 1839204228 LISHVPIEKQRGKS-MRUHUIDDSA-N 493.985 -0.028 50 20 JBGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn4[nH]cnc(=O)c4c3C)C2)C1 1840154033 IQMBCLJJIYVMPF-FOIQADDNSA-N 467.910 -0.345 50 20 JBGD O=C(CCNS(=O)(=O)c1ccc(Br)cc1)NNC(=O)[C@@H]1CCS(=O)(=O)C1 9930662 PTCKHGODRIEPST-SNVBAGLBSA-N 468.351 -0.300 50 20 JBGD CCn1cnc2c1c(=O)n(CC(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1)c(=O)n2Cc1ccccc1 15639558 OEEIWPHAEOQFRF-OAHLLOKOSA-N 488.526 -0.990 50 20 JBGD O=C(CC1(CC(=O)NNC(=O)N2CCOCC2)CCCCC1)NNC(=O)N1CCOCC1 729842298 YWWAUKQGUKLTOJ-UHFFFAOYSA-N 454.528 -0.137 50 20 JBGD O=C(NNS(=O)(=O)c1cccc(-n2cnnn2)c1)c1cccc(S(=O)(=O)N2CCOCC2)c1 920245853 UTDVKUFVAZRXRN-UHFFFAOYSA-N 493.527 -0.694 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)Cn3nnc4ccccc43)CCO2)C1 1779028202 GUSPEJFVQSODGP-JOCHJYFZSA-N 464.486 -0.427 50 20 JBGD COc1ccnc(C(=O)N2CC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)c1OC 1780448827 SZONMEJBDBBWQM-JOCHJYFZSA-N 455.276 -0.464 50 20 JBGD COc1cnc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)c(F)c1 1794452195 NAMFZDPEIFVYNC-DPIQGUFMSA-N 458.450 -0.255 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN1C(=O)c3ccccc3C1=O)C2)c1cccc(B(O)O)c1 1795737371 XDSLZZWXKHWSGA-FAQVEIGNSA-N 491.309 -0.744 50 20 JBGD CC(C)(C)OC(=O)N1CC[C@@H]2C[C@@]21C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795741276 ROPOSDQEQCIYOI-SDMFYXEBSA-N 499.373 -0.031 50 20 JBGD CN1Cc2ccccc2C[C@@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797748609 MDDXQQUSKARUFX-GMQQQROESA-N 478.553 -0.055 50 20 JBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O)C2 1801012793 YAIDARGBOXOPGY-QOSLBHJFSA-N 497.593 -0.823 50 20 JBGD O=C(CSc1nc[nH]n1)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1813345422 LXASZKURIDYDSE-APWZRJJASA-N 466.332 -0.009 50 20 JBGD CS(=O)(=O)CCC(=O)NC[C@@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1813574319 ACXCHKAAUWHYOA-KXBFYZLASA-N 474.543 -0.166 50 20 JBGD CC(=O)OC[C@@H](OC(C)=O)C(=O)N[C@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815344004 BGBKVXNLLQNWAF-DOTOQJQBSA-N 489.315 -0.457 50 20 JBGD O=C(Cn1cnnn1)N1CC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCN2C(=O)OCc1ccccc1 1828551302 MJBCLYOFYDZMPW-DYESRHJHSA-N 491.936 -0.275 50 20 JBGD O=C(CCN1C(=O)Cc2ccccc2C1=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1830836319 QZHFRWNPTXSATA-MBSDFSHPSA-N 493.944 -0.342 50 20 JBGD CN(C)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1833661396 RWIWTUYVKNIXEY-QHCPKHFHSA-N 468.319 -0.789 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)Cc3ccc(O)cn3)CC2)CC1)c1ccc(B(O)O)cc1 1834800540 KIYYDDKBWHEFCY-UHFFFAOYSA-N 466.347 -0.105 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccccc3)CCO2)C1 1834995877 AASPJLAUTKVSTE-HSZRJFAPSA-N 453.499 -0.002 50 20 JBGD Cc1ccn2ncc(C(=O)N3CCOC[C@@]4(CN(C(=O)c5ccc(B(O)O)cc5)CCO4)C3)c2c1 1835928310 KCCCYKCZMRIGAH-XMMPIXPASA-N 478.314 -0.294 50 20 JBGD CCc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)nn1C 1835931200 IFAHDFARJCCKMN-QFIPXVFZSA-N 456.308 -0.954 50 20 JBGD CC(C)n1nccc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835931277 KOOVOWQEEKTFLO-JOCHJYFZSA-N 456.308 -0.472 50 20 JBGD C[C@@H](Cn1cccn1)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837456912 PQXLSQCINUAXFT-AOMKIAJQSA-N 471.518 -0.712 50 20 JBGD C[C@H](CBr)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)N1CCOCC1)CCO2 1837512387 JTGMEVYVYJXDCX-KYJSFNMBSA-N 464.357 -0.876 50 20 JBGD COC[C@H](NC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1837733889 IZIASRJAOIKFIU-ZENOOKHLSA-N 454.293 -0.716 50 20 JBGD C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1)c1ccc(O)cc1 1839169967 WVAUTLAHRJULEP-BXKMTCNYSA-N 468.315 -0.054 50 20 JBGD O=C([C@H](F)Br)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCCS3(=O)=O)C2)C1 1839203102 ZUAZDBSNNRPEDW-XUJVJEKNSA-N 457.318 -0.290 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(NC(=O)OC(C)(C)C)CC1)CCO2 1840956534 CPWLSTHNHDOXON-JOCHJYFZSA-N 497.593 -0.127 50 20 JBGD CC(C)(C)OC(=O)N[C@H](CCN)C(=O)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843011145 VZCLRVJZHGYXNK-QGZVFWFLSA-N 460.340 -0.575 50 20 JBGD C[C@H](NC(=O)c1ccccn1)C(=O)N1CC2(CCCN2C(=O)c2cnccc2C(=O)NN)C1 1844265123 WENMDMFFSNJUFW-AWEZNQCLSA-N 451.487 -0.284 50 20 JBGD CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)N1CCCC12CN(C(=O)c1ccc(B(O)O)cc1)C2 1845221948 CMTICASJKWUGTD-QGZVFWFLSA-N 461.324 -0.541 50 20 JBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)[C@H]3CC(=O)N(CCN4CCOCC4)C3)cc2)CC1 728216131 SBGBTCZOQXLZEI-SFHVURJKSA-N 494.618 -0.754 50 20 JBGD COCCn1cnc2c1c(=O)n(CC(=O)NNC(=O)c1cscn1)c(=O)n2Cc1ccccc1 728515573 QPOPIKJIPBKLBY-UHFFFAOYSA-N 483.510 -0.028 50 20 JBGD COCCn1cnc2c1c(=O)n(CC(=O)NNC(=O)c1ccc[nH]1)c(=O)n2Cc1ccccc1 747663530 WDNSSZDHKQWIQT-UHFFFAOYSA-N 465.470 -0.156 50 20 JBGD COCCn1cnc2c1c(=O)n(CC(=O)NNC(=O)C(C)(C)C#N)c(=O)n2Cc1ccccc1 918017242 RSYSCFWBLAETSD-UHFFFAOYSA-N 467.486 -0.248 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](O)N1CCOCC1)CCO2 1780097607 AFJQZRIDGSSZNJ-IRLDBZIGSA-N 492.485 -0.386 50 20 JBGD CN(CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1CCC(=O)NC1)CCO2)NC(=O)NCc1ccccc1 1780970348 WUIGFACVSKTHHZ-CYFREDJKSA-N 486.573 -0.311 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@]2(CCN(C(=O)COc3cccnn3)C2)C1 1784457609 NYWZUMLSAUHXHY-SGSZHJQISA-N 455.475 -0.181 50 20 JBGD CN[C@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C[C@@H]21)C(=O)O 1786896911 GZHYIEPVZIYIMF-RRNDHEJESA-N 462.507 -0.837 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)n3)C[C@@H]21 1787509128 UUGQZSDHTFGANJ-BJDWFCHDSA-N 471.474 -0.385 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)[C@H]1CC[C@@H]2CCC(=O)N2C1 1789768695 FWJJZSPMTDMLST-WJRACZLCSA-N 469.347 -0.639 50 20 JBGD Cc1nn(C)c(C)c1CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1791633655 KLTBUZMHBHWFDO-YYWHXJBOSA-N 454.336 -0.447 50 20 JBGD COC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)CCl 1792982794 NSDBMENNWFLZRJ-YMSVYLFOSA-N 477.942 -0.368 50 20 JBGD Cn1c(=O)n(C)c2cc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)c3ccc(B(O)O)cc3)C4)ccc21 1796980637 MOVULVQODHZYPI-UPHUGPLXSA-N 478.314 -0.926 50 20 JBGD C[C@@H]1Oc2ccc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)CCC(=O)NN(C)C)C4)cc2NC1=O 1798584098 BYWYOQOAHJFRNO-VHQFLLTFSA-N 473.530 -0.018 50 20 JBGD CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(B(O)O)c1)C2 1802839845 RFLHKJQZXTYHSG-GSEOLPGOSA-N 453.308 -0.911 50 20 JBGD CC(=O)N1CCN(CC(=O)N2CC[C@H](CNC(=O)[C@@H](O)CCl)[C@H]2c2cccnc2)CC1 1803142560 FKTRPPHNMNIYTJ-WSTZPKSXSA-N 451.955 -0.149 50 20 JBGD Cn1c(=O)c2c(ncn2CC(=O)N2CCC3(CCCN(C(=O)[C@H](O)CCl)C3)CC2)n(C)c1=O 1805518950 XSXWMCIIZUQIPL-CQSZACIVSA-N 480.953 -0.735 50 20 JBGD O=C(NC[C@H]1CCN(C(=O)CCN2C(=O)C=CC2=O)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807360926 DEDSXPSPSSUQKN-WZONZLPQSA-N 476.298 -0.604 50 20 JBGD C[C@H](C(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1)N1CCN(C)CC1 1807864826 ZLODILOEBRNUQZ-AAIMPIBUSA-N 479.390 -0.283 50 20 JBGD C[C@@H](CS(C)(=O)=O)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815350394 UPFCPEOHBXWNLI-SMDDNHRTSA-N 465.362 -0.271 50 20 JBGD NC(=O)c1nccnc1C(=O)N[C@@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815360629 KPQQINUMEHMWCY-GFCCVEGCSA-N 466.288 -0.749 50 20 JBGD COc1ncccc1CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1833001038 XXCMSJUYCVMMJQ-DEOSSOPVSA-N 483.330 -0.527 50 20 JBGD O=C(CCCc1ccncc1)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1833055389 LQKLQVGEAJBBDZ-XMMPIXPASA-N 467.331 -0.146 50 20 JBGD CCNC(=S)NCC(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834798842 DSSVZLGIHVWKTD-UHFFFAOYSA-N 475.424 -0.964 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ccc3c(c1)OCO3)CCO2 1835173175 YJXOADGQLKUFAI-HSZRJFAPSA-N 476.530 -0.213 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)c3ccn(-c4ccccc4)n3)C2)C1 1835938584 ZYBNZLNRMASCFL-VWLOTQADSA-N 490.325 -0.064 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc3ncccn3n1)CCO2 1836873499 ARTVDEWUFYPFRI-OAQYLSRUSA-N 459.507 -0.828 50 20 JBGD COc1ccc(OCC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)cc1 1837456060 HYGVYFDWNYHAOH-DEOSSOPVSA-N 499.524 -0.157 50 20 JBGD C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnccc1C(=O)NN)CCO2 1837456887 RPHNFNFBRDQBJG-QFIPXVFZSA-N 461.519 -0.262 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4cccnc4[nH]3)C2)C1 1837459675 WDGWYYLBDSONSF-HSZRJFAPSA-N 479.497 -0.055 50 20 JBGD Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)c(C)n1 1838359153 BBGAFNCPFBUPBW-HSZRJFAPSA-N 453.304 -0.238 50 20 JBGD O=C(c1cc(=O)nc2sccn12)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1838414148 CNAMGULIJOYTKD-ACJLOTCBSA-N 456.908 -0.574 50 20 JBGD CN(CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1)NC(=O)NCc1ccccc1 1839054332 UOLKQBQXSKQPNF-PGRDOPGGSA-N 497.980 -0.611 50 20 JBGD O=C(NCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2)c1cccnc1 1839198541 HQCZIYBIQZUYBJ-MAUKXSAKSA-N 473.299 -0.042 50 20 JBGD O=C(NCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1)c1ccccc1 1840799924 WRWBXLGJBDURAT-VWLOTQADSA-N 495.341 -0.744 50 20 JBGD CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1CCCC12CN(C(=O)c1cccc(B(O)O)c1)C2 1845229576 HTHDQPGAIMSBHM-QGZVFWFLSA-N 461.324 -0.541 50 20 JBGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)CCN1C(=O)CCC1=O 21197904 VDCJMGRRRIQXCF-UHFFFAOYSA-N 466.516 -0.673 50 20 JBGD CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)NCCN2CCN(S(C)(=O)=O)CC2)cc1 749354350 UIQRHUJQIXWXEK-HNNXBMFYSA-N 457.553 -0.240 50 20 JBGD CCn1cnc2c1c(=O)n(CC(=O)NNC(=O)CS(=O)(=O)CC)c(=O)n2Cc1ccccc1 919702858 KVSSDCSKPPOOMG-UHFFFAOYSA-N 476.515 -0.990 50 20 JBGD Cn1c(=O)n(C)c2cc(C(=O)N3CC[C@]4(C3)CN(C(=O)c3cnccc3C(=O)NN)CCO4)ccc21 1777865830 ADWXEEQSEPCNIM-DEOSSOPVSA-N 493.524 -0.367 50 20 JBGD COCCOCCOCCC(=O)N1CCO[C@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783937127 PRIJHXDTLPCEKC-NRFANRHFSA-N 458.556 -0.741 50 20 JBGD Cc1nn(C)c(C)c1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21 1784701750 YRQXTCZHNABYDM-WBAXXEDZSA-N 455.519 -0.057 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)C[C@@H]21 1788610393 PHJGLFSRRVXLHU-UVBJJODRSA-N 456.459 -0.602 50 20 JBGD CC[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCS(=O)(=O)CC1 1793838509 CNQVUMIWYVXROL-FQLMCAECSA-N 466.398 -0.520 50 20 JBGD Cn1c(=O)n(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)c2ccccc21 1797172480 JDOMDBWWTKTDIW-USGNIVHTSA-N 493.524 -0.758 50 20 JBGD C[C@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797748669 QSQJNQYHOFDORU-MCYUEQNJSA-N 454.325 -0.081 50 20 JBGD COC(=O)c1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)c([N+](=O)[O-])c1 1799821333 BUBCLFJDZNCWSY-CWPLJXCYSA-N 497.269 -0.422 50 20 JBGD COC(=O)[C@@H]1CCC[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(=O)NN(C)C)C3)C1 1800966875 KAFXGZYBYVJFPN-XFEYQPKCSA-N 452.552 -0.072 50 20 JBGD O=C(NC[C@H]1CCN(C(=O)CN2CCCC2=O)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807362785 JOCLCFBIWNMCTL-GCJKJVERSA-N 450.304 -0.297 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H](CNC(=O)c2cnc(O)nc2O)[C@@H]1c1cccnc1 1808280452 KCWJCCOCIIPYRV-DYVFJYSZSA-N 478.469 -0.085 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@H]1CCN(C(=O)CN2CCOCC2)[C@H]1c1cccnc1 1810297735 DAOADYJUSJJCHI-UTKZUKDTSA-N 467.530 -0.268 50 20 JBGD CCOC(=O)N[C@H](O)C(=O)N1CC[C@H](CNC(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1810303688 XBVNHJOUVGEBQG-CFLQYTFWSA-N 485.501 -0.536 50 20 JBGD CC(=O)OC[C@@H](OC(C)=O)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CCC(=O)NN(C)C)CC2 1819860900 BXEFGAHLEOGSSE-UKRRQHHQSA-N 483.547 -0.077 50 20 JBGD C[C@H](C(=O)N1CCC(N2CCC(NC(=O)[C@@H](O)CCl)CC2)CC1)[C@@H]1SC(=N)NC1=O 1833310807 TXWSNBNSUPURKZ-CQDKDKBSSA-N 460.000 -0.040 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCC(N2CCC(NC(=O)CC(F)(F)C(=O)O)CC2)CC1 1835074440 RSOMEGZCKMJOTM-UHFFFAOYSA-N 482.488 -0.020 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCC(N2CCC(NC(=O)c3nc[nH]c3[N+](=O)[O-])CC2)CC1 1835098853 OYNRERPMHZGRGX-UHFFFAOYSA-N 485.505 -0.185 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC1CCN(C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1 1835736678 AKLRUPCSWGMSOC-UHFFFAOYSA-N 483.529 -0.010 50 20 JBGD CCc1ccnc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)c1 1835928129 FLLZDKFIZIZZQG-HSZRJFAPSA-N 453.304 -0.292 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)c3cnc4ccc(F)cn34)C2)C1 1835931947 IQRRYLSMCUUDFJ-QHCPKHFHSA-N 482.277 -0.463 50 20 JBGD CSCC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835934028 KOIVGTPKCMXSPD-OAQYLSRUSA-N 450.366 -0.174 50 20 JBGD COc1ncc(Cl)cc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835934500 WAWKCKOQHIHNDK-JOCHJYFZSA-N 489.721 -0.193 50 20 JBGD COc1cccc(OC)c1C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835939115 FVKBAPDSNFOVES-DEOSSOPVSA-N 484.314 -0.233 50 20 JBGD O=C(c1n[nH]c2c1CS(=O)(=O)C2)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1 1836257840 OBINVFFZUNQBHP-CJNGLKHVSA-N 450.876 -0.558 50 20 JBGD CS(=O)(=O)N1CCC(C(=O)N2CCOC[C@]3(CN(C(=O)C(Cl)Cl)CCO3)C2)CC1 1840188748 ZXSZOPXKOSSPIB-QGZVFWFLSA-N 472.391 -0.082 50 20 JBGD Cc1cnn([C@@H](C)C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)c1 1840403767 OYYMORSNKOJVCZ-HTAPYJJXSA-N 456.308 -0.797 50 20 JBGD COc1ccc(NC(=S)NNC(=O)Cn2c(=O)oc3cc(S(N)(=O)=O)ccc32)cn1 729692033 IDCYBMZZRUIIJM-UHFFFAOYSA-N 452.474 -0.337 50 20 JBGD CC(C)[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)NNC(=O)CN1CCCC1=O 789856681 JLJCRNAWJJVOGS-LJQANCHMSA-N 468.532 -0.079 50 20 JBGD O=C(COC(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)NNC(=O)[C@H]1COc2ccccc2O1 845918999 RNOHDRUVPDUKJG-GEYUCWRXSA-N 455.423 -0.676 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cccn3c(O)nnc23)C1 1777959670 KNEAHJGVFZLSDE-OPAMFIHVSA-N 473.534 -0.065 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc4ncnn4c3)C2)C1 1778740474 WMXJRJWFHSEYBM-NRFANRHFSA-N 450.459 -0.515 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc4c(n3)NC(=O)CC4)[C@H]2C1 1787268123 VNBVCFSGERHVCH-BQFCYCMXSA-N 472.546 -0.067 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cc(C)c(O)nc3=O)C[C@@H]21 1787508057 AYEMELREJLZGQW-HRZAHRDASA-N 499.528 -0.629 50 20 JBGD C[S@](=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)CCl 1792975580 VYKDBZABALZARO-AEDQHXAWSA-N 496.026 -0.162 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CC(=O)N(Cc3cccs3)C1)C2)c1cccc(B(O)O)c1 1795737257 LDSDJTFYWKGZAT-QSNWEANLSA-N 497.382 -0.320 50 20 JBGD Cc1cc(NC(=O)CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(=O)NN(C)C)C3)no1 1796420174 CBNNDQKLJGIWNT-VTEUUUEMSA-N 450.496 -0.726 50 20 JBGD CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CCC2(CCCN(C(=O)c3ccc(B(O)O)cc3)C2)CC1 1809970754 AEPFMZVBXRSWEL-HXUWFJFHSA-N 474.319 -0.294 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)CN(C)C(=O)C(=O)O)[C@@H]1c1cccnc1 1813073595 KRUKKPZZWXVVJH-HNAYVOBHSA-N 462.507 -0.997 50 20 JBGD O=C(Cn1ccccc1=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cccc(B(O)O)c1)CC2 1815443093 UTQQGGNALWAJKZ-OAHLLOKOSA-N 452.301 -0.089 50 20 JBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1CCc2nc(NC(=O)c3nccnc3C(N)=O)sc2C1 1821036865 PSPVWTFISSOVOT-SECBINFHSA-N 481.498 -0.430 50 20 JBGD CN(C)NC(=O)CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(=O)n3[nH]nnc3n2)[nH]n1 1822414301 RKVBRNPRSQVZNU-CYBMUJFWSA-N 471.482 -0.785 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CNC2=O)CC1 1824901890 VBOXDLISLZKSTK-GOSISDBHSA-N 456.308 -0.849 50 20 JBGD CCOC(=O)c1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)ccn1 1830730878 FLZDIMGICAMZTF-OXJNMPFZSA-N 455.895 -0.072 50 20 JBGD O=C([C@H](O)CCl)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CN(Cc4ccccc4)CCO3)C2)C1 1830731123 HYPPVHKZDVZFIQ-VIZSFHNOSA-N 481.977 -0.057 50 20 JBGD C[C@@H](CNC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1830743205 YTAJRAJABZZKOU-SBUREZEXSA-N 499.609 -0.023 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)CC1 1831872005 YQVDLSWNRGHXAE-JKSUJKDBSA-N 450.540 -0.423 50 20 JBGD COC[C@H](NC(C)=O)C(=O)N1CCOC[C@]2(CN(C(=O)CCBr)CCO2)C1 1834823384 QZGVVUCKXXWFIE-YOEHRIQHSA-N 450.330 -0.621 50 20 JBGD COC(=O)[C@@H]1CC[C@H](C(=O)N2CCOC[C@@]3(CN(C(=O)c4cnccc4C(=O)NN)CCO3)C2)C1 1837456432 MTNRZOHLNUSSTL-PXAQALGRSA-N 489.529 -0.656 50 20 JBGD CC(=O)N[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1)C(C)(C)C 1840183041 ZRSMWBFEPPOALU-SIKLNZKXSA-N 469.583 -0.633 50 20 JBGD CCc1[nH]nc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)c1F 1840183561 MDARNQZJYHXGFN-HXUWFJFHSA-N 454.503 -0.446 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4c3CCCC4)C2)C1 1840183982 MNGPNLIBQIKAKP-JOCHJYFZSA-N 462.551 -0.269 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn4cccnc34)C2)C1 1840184235 DZUXEXFGAFTTQP-NRFANRHFSA-N 459.507 -0.828 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)Cc3ccccc3)C2)C1 1840185058 KSTXIKXWBBFDPI-CVDCTZTESA-N 462.547 -0.581 50 20 JBGD C[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1)N1CSCSC1 1840185936 WWXLCTNNIZFGNB-JXFKEZNVSA-N 489.664 -0.141 50 20 JBGD CCC[C@H](NC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1840855771 TYEHSCUYBKYKFZ-UWJYYQICSA-N 455.556 -0.879 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)c1cc(=O)nc3sccn13)C2 1844264523 BMGITRYZTDNMMD-UHFFFAOYSA-N 453.484 -0.115 50 20 JBGD O=C(COCC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)NCc1cccnc1 731186931 XDFAGAAJBZHDCT-UHFFFAOYSA-N 475.527 -0.040 50 20 JBGD O=C(NCCC(=O)N1CCN(c2ccccn2)CC1)NNC(=O)c1ccc(-n2cnnn2)cc1 748466217 WUWXVLJTLBCVLQ-UHFFFAOYSA-N 464.490 -0.260 50 20 JBGD CCS(=O)(=O)CC(=O)NNC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1S(C)(=O)=O 919744463 OGDZBDNMLOPAOQ-AWEZNQCLSA-N 477.561 -0.465 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(C1)CN(C(=O)c1cnn3ncccc13)CCO2 1779030044 FMRKFSFFYZRYLE-NRFANRHFSA-N 450.459 -0.515 50 20 JBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)Cc3cn4c(nc3=O)SCC4)C2)C1 1780940016 ODCVDUDFGLJPLT-LIRRHRJNSA-N 456.952 -0.025 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC[C@H](N)C(N)=O 1795631854 RQOIJAYLCPETBK-RGHULWKBSA-N 475.974 -0.699 50 20 JBGD CCOc1c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)cnc2c1cnn2C 1796073494 VXIMYXUQXFJXCK-CWPLJXCYSA-N 493.329 -0.436 50 20 JBGD Cc1nc[nH]c1CSCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1797663427 YJYYKWCKOQKXPW-HBCWATKFSA-N 473.559 -0.147 50 20 JBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncn(-c3ccccc3)n1)C2 1797750553 IAOPCAVGUKNOJZ-CCWDJLKJSA-N 476.497 -0.217 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc2snnc2c1 1798506417 UTWDLUPJJFLBHV-DRXBFXEBSA-N 468.499 -0.398 50 20 JBGD CC[C@H](NC(N)=O)C(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807374696 HKGHMWCTFZTQBB-WDSOQIARSA-N 453.308 -0.472 50 20 JBGD O=C(COc1ccc(O)nn1)N[C@@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815360038 JOJHOYBINBXKFR-CYBMUJFWSA-N 469.288 -0.377 50 20 JBGD CC(=O)N1CCN(CC(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(B(O)O)cc3)n[nH]2)CC1 1817471752 LQAYNRXHICHJHM-HXUWFJFHSA-N 482.350 -0.441 50 20 JBGD O=C(c1cc(=O)nc2sccn12)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830731480 JYYZJFFRNXQFAT-SCLBCKFNSA-N 456.908 -0.574 50 20 JBGD CCCNC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C2)C1 1831196255 AKRZHHJLGKIGNS-NWJFTTBMSA-N 490.561 -0.117 50 20 JBGD CC(C)c1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)no1 1834495893 YGVGEYLALIIYKH-QFIPXVFZSA-N 457.292 -0.138 50 20 JBGD O=C(c1ccn2nccc2c1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835930476 JCTTWOXOKUZDTA-QHCPKHFHSA-N 464.287 -0.602 50 20 JBGD O=C(CCc1cccc(O)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835933877 HWSMOSCUERAYTF-XMMPIXPASA-N 468.315 -0.225 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc3ncncc3c1)CCO2 1837022777 HTXASZXGQXQSKP-XMMPIXPASA-N 476.298 -0.307 50 20 JBGD Cn1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)c(C(F)(F)F)n1 1837960713 PWKRGSSGCBWGAF-FQEVSTJZSA-N 496.251 -0.498 50 20 JBGD COc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)c(O)c1 1838889154 ZESWQTFTTVQLRK-QHCPKHFHSA-N 485.497 -0.217 50 20 JBGD CN1CCN(C2(C(=O)N3CCO[C@]4(COCCN(C(=O)[C@@H](F)Br)C4)C3)CC2)CC1 1839107371 IFOPVSZRUQVJQO-QAPCUYQASA-N 477.375 -0.087 50 20 JBGD CCNC(=S)NCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1839655080 DCLVSNJJRKTXCL-SWLSCSKDSA-N 455.350 -0.383 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1C[C@@]13C(=O)Nc1ccccc13)CCO2 1840017729 BOHFXYWZBVGMFG-YWWLGCSWSA-N 499.568 -0.274 50 20 JBGD O=C(CNC(=O)C(F)(F)F)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2 1782235296 KXUVWIDEOYIYHI-DNVCBOLYSA-N 471.241 -0.828 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)N3CCCC3)[C@H]2C1 1785000108 OPHFDJJXIVXDNL-SNRMKQJTSA-N 472.546 -0.319 50 20 JBGD Cc1cc(C)n2ncc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)CCC(=O)NN(C)C)C4)c2n1 1796922397 XUWFRKPQWIUKOM-CWPLJXCYSA-N 457.535 -0.078 50 20 JBGD CC(=O)OC[C@@H](OC(C)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C(C)=N/NC(=O)c1ccc[nH]1)C2 1797786519 SLXUAOXBDMAZEW-VLEBAYPPSA-N 491.501 -0.795 50 20 JBGD COC(=O)[C@H]1CC[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)CC1 1801010837 YGXGJTVOTIPRTH-SMOZFGAISA-N 452.552 -0.072 50 20 JBGD CN(C)C(=O)NCC(=O)NC[C@@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1802680904 PROZXIAJYFFZCO-HNAYVOBHSA-N 468.518 -0.329 50 20 JBGD CCS(=O)(=O)CC(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1803514638 MLZPJLSDDLKGKW-PXNSSMCTSA-N 459.333 -0.484 50 20 JBGD O=C(NC[C@H]1CCN(C(=O)CN2CCOC2=O)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807359982 NVBUGPSCZJLAPH-XLIONFOSSA-N 452.276 -0.467 50 20 JBGD NC(=O)c1nccnc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 1829507725 DGPSPCOQPDVISR-GOSISDBHSA-N 465.319 -0.198 50 20 JBGD COc1ccc([C@H](O)C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)cc1 1830213431 HXCINQGJLPWPER-URXFXBBRSA-N 484.314 -0.821 50 20 JBGD O=C(/C=C/C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1)NCc1ccccc1 1830675262 OSXXKWGEGVYZDQ-AVEGBXRASA-N 465.934 -0.085 50 20 JBGD CC1CCN(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)CC1 1831106172 ZQTSDRBOUDELPL-QHCPKHFHSA-N 459.352 -0.832 50 20 JBGD CNC(=O)CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](CCl)NC(=O)OC(C)(C)C)C2)C1 1831263883 JOHQNPBNIZIYKU-VBKZILBWSA-N 476.958 -0.289 50 20 JBGD O=C(NCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1)c1cccnc1 1832729485 GENYSDCYTCNEKV-CRAIPNDOSA-N 473.299 -0.042 50 20 JBGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCc3nc(O)nc(O)c3C1)CCO2 1833028082 KEAIQEGMWFPVGM-CGSMKXTHSA-N 484.937 -0.297 50 20 JBGD Cc1nc(CC(=O)NC2CCN(C3CCN(C(=O)c4ccc(B(O)O)cc4)CC3)CC2)no1 1833809803 WBWJJZMZZUYBJX-UHFFFAOYSA-N 455.324 -0.514 50 20 JBGD O=C(CCBr)NC1CCN(C2CCN(C(=O)CN(CCO)CCO)CC2)CC1 1834424040 BZIIHGBJPJTWPY-UHFFFAOYSA-N 463.417 -0.370 50 20 JBGD CC(=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN(C)NC(=O)NCc3ccccc3)C2)C1 1834720829 WKLYTFBNJQYTOG-JOCHJYFZSA-N 461.519 -0.622 50 20 JBGD CSCC[C@H](O)C(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834798914 HSFVCTUBNIDEGV-FQEVSTJZSA-N 463.409 -0.334 50 20 JBGD Cn1ccc(C(=O)N2CCC(N3CCC(NC(=O)c4cnccc4C(=O)NN)CC3)CC2)n1 1835737087 LZRHCZNIJLVWRC-UHFFFAOYSA-N 454.535 -0.082 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCC(N2CCC(NC(=O)c3cnccc3C(=O)NN)CC2)CC1 1835738108 DQEZBKRWHPLJBN-UHFFFAOYSA-N 488.593 -0.757 50 20 JBGD C=CC(=O)N[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1835829663 SFOKJJMAHKNOGF-INIZCTEOSA-N 456.352 -0.758 50 20 JBGD O=C(CSc1ncccn1)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835935818 TUECPUWVOPOYBO-NRFANRHFSA-N 472.332 -0.981 50 20 JBGD C=C(Oc1ccccc1O)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835936892 IEQPSTQEEDUQHA-DEOSSOPVSA-N 482.298 -0.265 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)C[C@H]3CCCCO3)C2)C1 1837456212 KULSRDWVIBQYLY-ZHRRBRCNSA-N 461.519 -0.286 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCc4nc[nH]c4C3)C2)C1 1837460327 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CC(C)(C)OC(=O)N[C@H](CCCNC(=N)N)C(=O)N1CCCC12CN(C(=O)[C@@H](O)CCl)C2 1842872447 ZNXGTEJGCCNZCC-KGLIPLIRSA-N 474.990 -0.054 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCCC12CN(C(=O)c1cccnc1CS(C)(=O)=O)C2 1846384343 GFKMQXRXFSLPKU-UHFFFAOYSA-N 451.549 -0.184 50 20 JBGD COc1ccc(CCN2C[C@@H](C(=O)NNC(=O)[C@H]3CCS(=O)(=O)C3)CC2=O)cc1OC 728382566 YLAFCNNPKQDLPG-GJZGRUSLSA-N 453.517 -0.323 50 20 JBGD COc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 754809255 LBBXZOYLAAFBBG-UHFFFAOYSA-N 478.849 -0.900 50 20 JBGD Cc1csc(CC(=O)NNC(=O)COC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)n1 761129756 KSQRRJJXBKIFJQ-UHFFFAOYSA-N 465.513 -0.187 50 20 JBGD CN(CC(=O)N1CCO[C@]2(CCN(C(=O)c3c[nH]c(=O)cn3)C2)C1)NC(=O)NCc1ccccc1 1780248596 KQTQLGSSYAKDDO-HSZRJFAPSA-N 483.529 -0.440 50 20 JBGD CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2C(=O)N1CC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1783500081 SDQFNMWRGDXEAO-GFTAFNIFSA-N 499.373 -0.077 50 20 JBGD CN(C)c1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)cn1 1786981209 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C[C@@H](Cc1ccccn1)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835939722 FRHPXXYRENHXAH-UUOWRZLLSA-N 467.331 -0.290 50 20 JBGD CC(=O)Nc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)cc1 1836661078 CBEBTRJVKFXXKF-RUZDIDTESA-N 495.341 -0.363 50 20 JBGD C[C@@H](Nc1nccs1)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837457683 MWRBKNYSFZXTMY-SPLOXXLWSA-N 489.558 -0.288 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3csc(N)n3)C2)C1 1837457818 SMAJBVUSENUAAS-LJQANCHMSA-N 461.504 -0.892 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCC(OC2CCN(C(=O)c3cc(O)nc(O)n3)CC2)CC1 1837919293 CSRQKYQAIUWIAQ-UHFFFAOYSA-N 470.291 -0.506 50 20 JBGD O=C(Cc1ccccc1O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1839907508 AWVAQLJGIKHBAJ-HSZRJFAPSA-N 454.288 -0.615 50 20 JBGD O=C(CN1C(=O)CSC1=S)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1840897133 MUFJACLDKHJRRG-IUODEOHRSA-N 484.369 -0.006 50 20 JBGD COc1cc(N2CCC(C(=O)N3CCCC34CN(C(=O)c3ccc(B(O)O)cc3)C4)CC2)ncn1 1841459647 NTPYJHQXMJUEDZ-UHFFFAOYSA-N 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CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CNC(=O)O1)C2 1793878251 JSFLCIONCARLLB-NDKCEZKHSA-N 460.915 -0.184 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cc(F)ccc1[N+](=O)[O-])C2)c1ccc(B(O)O)cc1 1795736675 AGDADVAIMQVGEJ-VPTLXERWSA-N 471.250 -0.140 50 20 JBGD C[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCS(=O)(=O)CC1)C2 1800757688 TUGBSORNYQZXNZ-GUIRCDHDSA-N 452.371 -0.910 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)[C@@H]1CCc2ccccc2O1 1800948042 IDXIHVBSEAPOJR-UDKICSLYSA-N 450.300 -0.037 50 20 JBGD CN(C)C(=O)NCC(=O)N[C@@H]1CCc2nc(NC(=O)c3cnccc3C(=O)NN)sc2C1 1819791322 NPSGXSRBQSXDOL-SNVBAGLBSA-N 460.520 -0.361 50 20 JBGD C[C@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCS(C)(=O)=O)C2)C1 1830545520 KEZRZIYEOYLUPS-CZUORRHYSA-N 455.371 -0.092 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1n[nH]c(C3CC3)c1F)CCO2 1833687186 VYYLBUWTXYRJSV-NRFANRHFSA-N 466.514 -0.131 50 20 JBGD 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451.556 -0.503 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CCOC[C@]2(CN(C(=O)c3c[nH]c(=O)cn3)CCO2)C1 1838633730 KXUMPCXKJJTNJF-LHSJRXKWSA-N 499.952 -0.028 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(O)nc3)CCO2)C1 1838649858 PBSCNEVNQDHNNH-OAQYLSRUSA-N 456.459 -0.831 50 20 JBGD Cc1cc(O)c([N+](=O)[O-])cc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1839466857 XEOCCUKSDUASMW-HSZRJFAPSA-N 499.285 -0.328 50 20 JBGD CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1840060460 PMFGQFSJWBMWAJ-KQDGPHEJSA-N 491.969 -0.587 50 20 JBGD O=C(Cc1cc(F)ccc1F)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1840810439 XNFPHRVKFPXLTO-QHCPKHFHSA-N 474.269 -0.043 50 20 JBGD CCS(=O)(=O)N[C@H](CCSC)C(=O)NNC(=O)c1csc(N2CCOCC2)n1 729257888 RFGYUFSFXFYTFJ-LLVKDONJSA-N 451.596 -0.198 50 20 JBGD CNS(=O)(=O)c1cc(C(=O)OCC(=O)NNC(=O)Cc2nc(C)cs2)ccc1OC 762410589 OTMGMAMHODADRI-UHFFFAOYSA-N 456.502 -0.085 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(C1)CN(C(=O)c1ccnc3c1OCO3)CCO2 1779032269 HYIVNGNUOHUXFF-NRFANRHFSA-N 454.443 -0.434 50 20 JBGD COC(=O)C12CC(C(=O)NC[C@@]34CCCO[C@@H]3CCN(C(=O)c3ccc(B(O)O)cc3)C4)(C1)C2 1781957581 DOLNKPGYDMJCKG-KMDVNRPESA-N 470.331 -0.163 50 20 JBGD Cc1nc2ncccn2c1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786983039 LSVAJLSENNBTMN-WDSOQIARSA-N 463.303 -0.375 50 20 JBGD CC(C)NC(=O)OC(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1789753380 AFJRBCXPKOPIOC-WDSOQIARSA-N 475.351 -0.127 50 20 JBGD CCS(=O)(=O)N[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](F)Br)[C@H]2C1 1789921648 UICAEHABHWRPQC-VLJOUNFMSA-N 458.350 -0.016 50 20 JBGD O=C(CCc1ccc2c(c1)OCO2)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1795320286 XMYCGSOTAXRNJZ-FEJSZKPUSA-N 466.299 -0.069 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(O)c([N+](=O)[O-])c1 1799483160 LJGUFSQDXIHMPK-IVWMJMPLSA-N 470.442 -0.184 50 20 JBGD Cc1cc(O)c([N+](=O)[O-])cc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1799828876 JMWLUVBSFRNTBJ-YVWYUNDQSA-N 469.259 -0.194 50 20 JBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN(C)C(=O)c1ccccc1)C2 1801010627 NDNLHCCJXQDKEZ-OPMZPASUSA-N 459.547 -0.279 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1CCN(C(=O)CC[C@@H](N)C(N)=O)[C@@H]1c1cccnc1 1808414666 KZLIEAZUIAIQIY-JXQMHBIQSA-N 482.545 -0.186 50 20 JBGD CCOC(=O)N[C@H](O)C(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1810094140 JXOZHMYAAYJJDK-YVWKXTFCSA-N 470.291 -0.855 50 20 JBGD CC(=O)N1CCN(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)CBr)CCO3)CC1 1830540011 LIOBXJRJLBWNBX-OXJNMPFZSA-N 489.411 -0.362 50 20 JBGD CC1CCN(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)CC1 1831104977 ZQWPFLPCPXUWOM-HSZRJFAPSA-N 474.562 -0.513 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CC(c3ccccc3)=NO1)CCO2 1831254456 JOPLKVFPNMZDHP-WIOPSUGQSA-N 493.325 -0.370 50 20 JBGD O=C(CCc1cccc([N+](=O)[O-])c1)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1832172667 BSLRRBZSXIMQIE-DEOSSOPVSA-N 497.313 -0.023 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CNC(=O)c1cccs1)CCO2 1833032960 DPMIUKOQDGSTKZ-NRFANRHFSA-N 481.575 -0.693 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)c3cc[n+]([O-])cc3)CC2)CC1)c1ccc(B(O)O)cc1 1834798476 ZYPSDPPPSBGFSC-UHFFFAOYSA-N 452.320 -0.501 50 20 JBGD Cc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)c(O)c1 1835933934 JQRBJSFYRZFCHQ-HSZRJFAPSA-N 454.288 -0.236 50 20 JBGD CN(C)c1ccncc1C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835935628 WASUNJUEYXDHFV-QHCPKHFHSA-N 468.319 -0.789 50 20 JBGD O=C(C[C@H]1CNc2ccccc2O1)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1837351404 NHLSXIIHFYKJPC-NBGIEHNGSA-N 495.341 -0.300 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(O)cc3)C2)C1 1837459317 CMULFDRIBFBDEK-JOCHJYFZSA-N 455.471 -0.226 50 20 JBGD CNC(=S)NCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)Br)C2)C1 1837467894 UVADKBPGSIQGHR-MLGOLLRUSA-N 451.387 -0.290 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)c1cnccc1Cl)CCO2 1837775885 MQJROXCWNOCGJF-NRFANRHFSA-N 459.695 -0.201 50 20 JBGD C[C@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)CN(C)C(=O)C(=O)O)CCO2)C1 1839701426 YRNHVSIINNPBDJ-SJKOYZFVSA-N 464.313 -0.983 50 20 JBGD CC[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(=O)n4[nH]nnc4n3)C2)C1 1839964154 ITCKECFSTVXPEX-DIFFPNOSSA-N 484.311 -0.944 50 20 JBGD CCC[C@H](NC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1840853590 LJCUSKMINFPDNX-AVRDEDQJSA-N 476.534 -0.940 50 20 JBGD COCCn1cnc2c1c(=O)n(CC(=O)NNC(=O)NCC1CC1)c(=O)n2Cc1ccccc1 916249409 LBBWGULJSNENHL-UHFFFAOYSA-N 469.502 -0.205 50 20 JBGD CN(C)S(=O)(=O)c1ccc(I)c(C(=O)NNC(=O)CN2CCCC2=O)c1 917363481 LUNNIMOUNONDAA-UHFFFAOYSA-N 494.311 -0.075 50 20 JBGD C[C@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2)[C@H]1SC(=N)NC1=O 1778081646 PUMJJKKMRCQNTB-OFAHOWDGSA-N 488.375 -0.704 50 20 JBGD C[C@H](C(=O)N1CC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1)N1CSCSC1 1779144169 BAKSVGSWMIQOAT-FOIQADDNSA-N 465.406 -0.147 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)C(=O)Nc3cccnc3)C2)C1 1779201863 OGQSLUBBQGEDIG-NRFANRHFSA-N 453.459 -0.838 50 20 JBGD COc1cc(CC(=O)N2CC[C@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)ccc1[N+](=O)[O-] 1781190907 BQZZXNWJCKHVKS-QHCPKHFHSA-N 483.286 -0.031 50 20 JBGD CN1CCCn2nc(C(=O)N3CC[C@@]4(CN(C(=O)c5ccc(B(O)O)cc5)CCO4)C3)cc2C1 1782562210 NXALSIURHTTWHH-QHCPKHFHSA-N 467.335 -0.844 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@]2(CCN(C(=O)CN3CCCCC3=O)C2)C1 1783755850 UYMVBWHURIXCDC-OLCUMFGGSA-N 458.519 -0.037 50 20 JBGD C[C@@H](Oc1cccnc1)C(=O)N1CC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1784547672 NFJKRTRAVNSSSS-QRQCRPRQSA-N 454.487 -0.009 50 20 JBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2c(n1)NC(=O)CC2 1796106658 DVFXEOWVXBGBHE-YVWYUNDQSA-N 458.519 -0.458 50 20 JBGD CCS(=O)(=O)N[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnccc1C(=O)NN 1798439697 YSVRMTDVOIHRLR-FQUUOJAGSA-N 452.537 -0.735 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)[C@H]1CC(c2ccccc2)=NN1 1800152098 CDOANWKJEHSBJV-GMQQQROESA-N 462.315 -0.664 50 20 JBGD Cc1nn2cc(CC(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)CCC(=O)NN(C)C)nc2s1 1801010525 BSTWCBKEGDNGJT-HBCWATKFSA-N 463.564 -0.396 50 20 JBGD CN(C)C(=O)NCC(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1802677598 RDIYOIOVSWCADI-YLJYHZDGSA-N 453.308 -0.648 50 20 JBGD COC[C@@H](NC(C)=O)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1 1817472144 KWANNTMBGVUSAM-MSOLQXFVSA-N 457.296 -0.454 50 20 JBGD CCNC(=S)NCC(=O)N[C@H]1CCc2nc(NC(=O)CCC(=O)NN(C)C)sc2C1 1826089905 PVGMKNSTENNDFT-NSHDSACASA-N 455.610 -0.088 50 20 JBGD CC(C)(C)OC(=O)N[C@H](CCO)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](O)CCl)CCO2)C1 1830719813 LIKDPADNCBMBBE-SIFCLUCFSA-N 479.958 -0.682 50 20 JBGD CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830722452 BVLRVVFIPIUYGB-VCAMNPENSA-N 491.969 -0.587 50 20 JBGD CCS(=O)(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1831330242 QKTQRHJGGGEHJH-JMSVASOKSA-N 474.349 -0.539 50 20 JBGD Cc1c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)cnn1C 1834425012 SGMAOTAQUATZRA-OAQYLSRUSA-N 457.491 -0.889 50 20 JBGD CCN(CC)C[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835932279 XTGNKHQYXTXSKI-JPYJTQIMSA-N 461.368 -0.586 50 20 JBGD CCc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)nn1C 1837458966 GOJXHRFKGNMJFA-QFIPXVFZSA-N 471.518 -0.635 50 20 JBGD C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1)N1CCN(C)CC1 1839104888 XCBIXOQGQBSXOI-WIYYLYMNSA-N 456.660 -0.070 50 20 JBGD C[C@](Cl)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)C[C@@H]3NC(=O)NC3=O)C2)C1 1839150720 VTFPAQUFYHPXOS-GOPGUHFVSA-N 451.307 -0.723 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccn4ccnc4c3)C2)C1 1840184174 BALJXGQVLRHPEQ-JOCHJYFZSA-N 458.519 -0.223 50 20 JBGD C[C@H](NC(=O)c1ccccn1)C(=O)N1CCCC12CN(C(=O)c1cnccc1C(=O)NN)C2 1845770022 YZHFVICAQVMOMD-AWEZNQCLSA-N 451.487 -0.284 50 20 JBGD CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2cccc(B(O)O)c2)[C@H](O)C1 1847233658 BSLXYJLMQZDPIE-FUMNGEBKSA-N 487.362 -0.200 50 20 JBGD COCCn1cnc2c1c(=O)n(CC(=O)NNC(=O)c1ccncc1)c(=O)n2Cc1ccccc1 15628501 DMPJBOGXAGQHFY-UHFFFAOYSA-N 477.481 -0.089 50 20 JBGD NC(=O)c1ccc(OCC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1 920499808 LDWQZZCEVAHYDI-UHFFFAOYSA-N 462.484 -0.354 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)COc1ccc(O)nn1)C2 1782213262 IWYWCVSQBGDFMF-QVKFZJNVSA-N 464.523 -0.552 50 20 JBGD CN(CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](CCl)NC(=O)OC(C)(C)C)CCO2)C(=O)C(=O)O 1782744976 HZQAICCVJWHAGN-RBZFPXEDSA-N 490.941 -0.509 50 20 JBGD C[C@H](Br)C(=O)N1CC[C@]2(CN(C(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)CCO2)C1 1783528758 AFPXBGJLAQCPNN-BUXKBTBVSA-N 497.350 -0.953 50 20 JBGD CN(CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CS(C)(=O)=O)[C@H]2C1)NC(=O)NCc1ccccc1 1786649004 XKJIZLMOFIPEPN-FHWLQOOXSA-N 495.602 -0.643 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1ccc(-n2cnnc2)cc1 1786768567 UPZPPXXPMIRIAW-NYVOZVTQSA-N 475.314 -0.146 50 20 JBGD CN(CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21)NC(=O)NCc1ccccc1 1789726666 LBLIUOUAYAKMOE-FHWLQOOXSA-N 471.514 -0.600 50 20 JBGD C[C@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3n(n1)CCNC3=O)C2 1792870170 JYZJKDOOHCTGML-MCYUEQNJSA-N 454.325 -0.139 50 20 JBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ncn(-c2cccc(F)c2)n1 1794288534 AKOWOZYJNFOJED-YVWYUNDQSA-N 473.509 -0.017 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COCCO)C2 1798522958 IUCLPTGIEUOLGM-HBCWATKFSA-N 451.432 -0.268 50 20 JBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O 1799196598 LHCLOPMRQWSYEJ-QOSLBHJFSA-N 497.593 -0.823 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COCCO 1799337805 FTKGOWYZNJHATM-HBCWATKFSA-N 451.432 -0.268 50 20 JBGD CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1799795151 BHSHXZBRTZVWRB-VPTLXERWSA-N 482.302 -0.142 50 20 JBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1C[C@@]13C(=O)Nc1ccccc13)C2 1801013112 VPUSDFQMNMEJKB-AKVBBSBSSA-N 469.542 -0.141 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)n1cnnn1 1801437993 MUQXSWRVMFLLIX-NASWQRNTSA-N 473.446 -0.029 50 20 JBGD C[C@@H](C(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1)N1CCN(C)CC1 1807364635 GONKCCDNWPSLTP-HARLFGEKSA-N 479.390 -0.283 50 20 JBGD CC(C)(C)OC(=O)N[C@H](O)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1811506319 BNMDSIQLVBLHFQ-FBBABVLZSA-N 498.345 -0.076 50 20 JBGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CS(=O)(=O)N2CCCC2)[nH]n1)c1cccc(B(O)O)c1 1817475565 UMYYCDCTWVEWSQ-SFHVURJKSA-N 489.363 -0.179 50 20 JBGD CN(CC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1)C(=O)C(=O)O 1827053461 QFZDLHKHPOQGLJ-SFHVURJKSA-N 459.308 -0.857 50 20 JBGD COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)cc1O 1830248871 YPLUKRZKDPDAMP-DEOSSOPVSA-N 499.524 -0.288 50 20 JBGD C[C@@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1830541168 YGOUPEOENVFZCR-ORAYPTAESA-N 484.351 -0.214 50 20 JBGD O=C1NCCn2nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)[C@H](F)Br)C4)C3)cc21 1834563723 JIHAFMUDESOBIU-GUYCJALGSA-N 474.287 -0.613 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)c3[nH]nc4ncccc34)C2)C1 1835928133 FMOMILPWWGLYJA-QFIPXVFZSA-N 465.275 -0.979 50 20 JBGD CN(C)c1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)nc1 1835935266 LMCWNDVFNVBWOT-QHCPKHFHSA-N 468.319 -0.789 50 20 JBGD CN(CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1nc[nH]n1)CCO2)NC(=O)NCc1ccccc1 1836350990 RSBQVEGYSWTZJG-JOCHJYFZSA-N 486.533 -0.779 50 20 JBGD CN1CCN(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@](C)(Cl)CCl)C3)C2)CC1 1836675977 PGHSBKONQRQLCM-RTBURBONSA-N 451.395 -0.074 50 20 JBGD C[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc4n(n3)CCCNC4=O)CCO2)C1 1836780805 IIVLKLFFUYVCPO-YJYMSZOUSA-N 484.351 -0.130 50 20 JBGD O=C(c1cc(=O)nc2sccn12)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1838414150 CNAMGULIJOYTKD-SCLBCKFNSA-N 456.908 -0.574 50 20 JBGD COc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)cc1N(C)C 1839115790 MKLVRBREHAIUOH-VWLOTQADSA-N 497.357 -0.175 50 20 JBGD O=C([C@@H]1[C@@H](O)CCN1Cc1ccccc1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1839726704 AYXCEZBEMVRMED-IHFIDZABSA-N 481.977 -0.322 50 20 JBGD CC[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1839964311 NLGIKQLLSMUGNS-QFBILLFUSA-N 469.141 -0.390 50 20 JBGD COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1840141703 OURGINZLVTZTKC-ROKPMTFOSA-N 486.330 -0.808 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncc(F)cc3F)C2)C1 1840182936 WUFDRGCIOIUXOW-FQEVSTJZSA-N 455.462 -0.197 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4ccnn4c3)C2)C1 1840185159 LZVRIEBYBCLPTL-QFIPXVFZSA-N 458.519 -0.223 50 20 JBGD Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 729275596 PYNULJHLRKBCBM-QMMMGPOBSA-N 451.431 -0.222 50 20 JBGD CCn1c(=O)c(C(=O)/C(C#N)=C/c2cn(C)c(=O)n(C)c2=O)c(N)n(Cc2ccccc2)c1=O 884047976 SUANVJUYBPPLDN-XNTDXEJSSA-N 462.466 -0.152 50 20 JBGD CCn1nc(C(=O)NNC(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)c2ccccc2c1=O 914457239 OWSPPWADJFMYQL-QWHCGFSZSA-N 461.500 -0.787 50 20 JBGD COc1cnc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)c(F)c1 1779029497 YAVUYICHWFTVOU-OAQYLSRUSA-N 458.450 -0.015 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)/C=C/c3ccc(O)c(O)c3O)CCO2)C1 1779035319 GCVVPJRMSIFZEX-ZGVNINRLSA-N 483.481 -0.041 50 20 JBGD CC(=O)Nc1cccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)n1 1786980050 CVNCLQIBPYSTOK-QRFRQXIXSA-N 466.303 -0.373 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)N3CCCC3)C[C@@H]21)c1ccc(B(O)O)cc1 1786980133 MLXKIXYGLYOHAI-IHPCNDPISA-N 457.336 -0.638 50 20 JBGD COc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cnccc4C(=O)NN)[C@H]3C2)ccn1 1788611188 OLVCRKSRDXFRPW-WBAXXEDZSA-N 454.487 -0.004 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3c[nH]c(=O)cn3)[C@H]2C1 1789295177 NRGBCUUEAGYYDV-XEDDXIFXSA-N 455.475 -0.503 50 20 JBGD O=C(/C=C/C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1)NCc1ccccc1 1795737690 JWYXAJGJUSVXJR-WXKDIYIQSA-N 477.326 -0.558 50 20 JBGD C[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CS(=O)(=O)N1CCCC1 1796440743 MZFSMOHCJSAPSZ-XPCVCDNBSA-N 452.371 -0.215 50 20 JBGD CC1=NN(c2ccc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)c3ccc(B(O)O)cc3)C4)cc2)C(=O)C1 1798979648 LEVKFQTUXGCNHE-BBIADKPPSA-N 490.325 -0.004 50 20 JBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(-n2cncn2)c1 1799775856 LGNKNYVLZAUCHA-UPHUGPLXSA-N 455.519 -0.157 50 20 JBGD CN1CCCn2nc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)CCC(=O)NN(C)C)cc2C1 1801012943 OAKCVNAMVIJQTH-VPTLXERWSA-N 461.567 -0.705 50 20 JBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CC(c3ccccc3)=NN1)C2 1801013099 VLTCVKJGWZUJFH-ZRAXVTTISA-N 456.547 -0.285 50 20 JBGD CS(=O)(=O)CCC(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807375200 QBLLHTDETPMAGH-XLIONFOSSA-N 459.333 -0.484 50 20 JBGD C[C@H](C(=O)NC[C@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1)n1cnnn1 1813471496 ZQWHDQTZRUYPNJ-SIIHOXLZSA-N 464.490 -0.353 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H](N)CCC(N)=O)CC1 1828925819 TYVWBESRHDERMP-ZWKOTPCHSA-N 459.551 -0.489 50 20 JBGD CC(C)[C@@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN(C)NC(=O)NCc3ccccc3)C2)C1 1830872202 URXVHYKBICRPQY-ZJSXRUAMSA-N 491.589 -0.194 50 20 JBGD Cc1cncc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)c1 1834283288 FISUNXSRQWCGTI-QFIPXVFZSA-N 454.487 -0.228 50 20 JBGD C[C@@H](C(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1)N1C[C@H]2C[C@H]2C1 1834798539 ISEZTTSRUKPSPQ-YSIASYRMSA-N 468.407 -0.108 50 20 JBGD Cn1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)c2cccnc21 1835930252 FLWIAXYXDKFRAX-XMMPIXPASA-N 478.314 -0.363 50 20 JBGD C[C@H](Nc1nccs1)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835936965 MBIOTNOWWBPSFP-YCRPNKLZSA-N 474.348 -0.607 50 20 JBGD O=C(c1ccc2ccnn2c1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835939657 WTZYTMDKPCLDFN-HSZRJFAPSA-N 464.287 -0.602 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/c3cnc[nH]3)C2)C1 1837461284 SLVWPCHLYNAKGW-BTFLMBNSSA-N 455.475 -0.808 50 20 JBGD CCOC(=O)N[C@@H](O)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1837919093 CYXFXGBJLFOCII-IBGZPJMESA-N 477.323 -0.957 50 20 JBGD O=C(CCn1ccnn1)N1CCC(OC2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1837922105 LUHZIZRRHAZWHE-UHFFFAOYSA-N 455.324 -0.340 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCC(OC2CCN(C(=O)[C@@H]3CCCS3(=O)=O)CC2)CC1 1838394680 MSLMGTREUXTNNW-IBGZPJMESA-N 493.586 -0.126 50 20 JBGD CN1CCN(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](F)Br)CCO3)CC1 1839200924 PARSPWHJGNKUAS-RDJZCZTQSA-N 451.337 -0.619 50 20 JBGD C[C@@H](Oc1cccnc1)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1840452376 ODEAFDLDIXQLPN-UZUQRXQVSA-N 469.303 -0.701 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC2(CCCN2C(=O)Cc2csc3c2c(=O)n(C)c(=O)n3C)C1 1845014509 OYJWBARKNPOQCD-UHFFFAOYSA-N 490.586 -0.582 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN1C(=O)CNC1=O 1848029281 AVFGMCFCLFXEKE-AVGNSLFASA-N 457.915 -0.128 50 20 JBGD CC(C)NC(=O)C(=O)NNC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 726613503 GVMRJXSVRSSXMB-UHFFFAOYSA-N 487.966 -0.375 50 20 JBGD CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 732308311 WWWYSOSEUDLCNL-HIFRSBDPSA-N 463.603 -0.023 50 20 JBGD C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)NNC(=O)c3ccc(C#N)cc3)CC2)C[C@H](C)O1 747103557 RCZJHYSCYMLLST-GJZGRUSLSA-N 450.521 -0.116 50 20 JBGD C[C@H](C(=O)N1CC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1)n1ccccc1=O 1779274870 ZPULECBSXWNWIP-QRQCRPRQSA-N 454.487 -0.449 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CNC(=O)c1cccnc1)C2 1779371353 ROPQGPRJQNOOQX-NTKDMRAZSA-N 495.540 -0.362 50 20 JBGD CC(=O)N[C@@H](C(=O)N1CC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1)c1ccc(F)cc1 1780914013 AYQRWSAQOONBSV-ZJSXRUAMSA-N 483.305 -0.174 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21)c1cccc(B(O)O)c1 1786984156 NJKRSEMFIVZVPB-NWYPOARBSA-N 459.308 -0.511 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc4ncnn4c3)C[C@@H]21 1788611061 IWSWDODPRPVVOI-WBAXXEDZSA-N 464.486 -0.365 50 20 JBGD Cc1cc(C(N)=O)cc(C)c1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1797734144 ZQDOQIFBKOZXKU-CWPLJXCYSA-N 480.525 -0.082 50 20 JBGD O=C(Cc1ccc(Br)nc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1799031176 HFTVFWYUSVKHDM-CWPLJXCYSA-N 488.147 -0.030 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H](CNC(=O)CC[C@H](N)C(N)=O)[C@H]1c1cccnc1 1807192942 YUDUADVKZZBONF-PJQSNNBKSA-N 482.545 -0.186 50 20 JBGD CN[C@@H](CC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cnccc2C(=O)NN)CC1)C(=O)O 1828926642 MUSVLPVWVUXCRT-ROUUACIJSA-N 460.535 -0.019 50 20 JBGD COc1cccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)n1 1832821647 PPIYWMXELDZNHY-XMMPIXPASA-N 483.330 -0.527 50 20 JBGD O=C([C@H]1CCc2nc(O)nc(O)c2C1)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1 1833026497 MRLLMNANFWHEGM-KLRAXDNASA-N 458.874 -0.017 50 20 JBGD Cc1nn(C)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)c1F 1833705652 IZZUKDOJMIOFGA-OAQYLSRUSA-N 475.481 -0.750 50 20 JBGD NC(=O)c1nccnc1C(=O)N1CCOC[C@@]2(CN(C(=O)CCBr)CCO2)C1 1834823020 DROKGMIZYPAVEI-QGZVFWFLSA-N 456.297 -0.570 50 20 JBGD COC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C2)C1 1834852308 JHXYCVUYENTVHZ-CPOKCXMASA-N 463.491 -0.470 50 20 JBGD CC(C)(C)c1cnc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)cn1 1835928432 PUKHBZLWNYBBDB-XMMPIXPASA-N 482.346 -0.162 50 20 JBGD O=C(COc1ccc(F)cc1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835935531 JPNSZVULAIPWPM-HSZRJFAPSA-N 472.278 -0.346 50 20 JBGD COc1ccsc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835938162 NVUPXGHCOLKANS-OAQYLSRUSA-N 460.317 -0.180 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3Cl)C2)C1 1835938571 ZEFATDRHHGVRFA-NRFANRHFSA-N 459.695 -0.201 50 20 JBGD Cc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)cc2c[nH]nc12 1835939000 ANAVHQJAEPSMTF-DEOSSOPVSA-N 478.314 -0.065 50 20 JBGD CN(CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@](C)(Cl)CCl)CCO2)C(=O)C(=O)O 1839155213 OMNFLJQMHJMISG-DLBZAZTESA-N 454.307 -0.778 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3nc4ccc(F)cn4n3)C2)C1 1840185193 MUIINCMRDBSMJH-OAQYLSRUSA-N 477.497 -0.689 50 20 JBGD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1840880472 QSJLENJXKOHNNL-COIATFDQSA-N 498.297 -0.733 50 20 JBGD Cn1c(=O)c2c(CC(=O)N3CC[C@H]4[C@@H]3CCN4C(=O)[C@H](O)CCl)csc2n(C)c1=O 1847565164 JRXIWNLGLWRPJJ-RWMBFGLXSA-N 454.936 -0.357 50 20 JBGD O=C(Cc1cnc2ccccn12)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1784045389 LYBSLRNGBUIBER-YYWHXJBOSA-N 462.315 -0.150 50 20 JBGD Cc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cnccc4C(=O)NN)[C@H]3C2)nc2nccn12 1788610027 WXWDXJJVHLJBEJ-FNHZYXHNSA-N 478.513 -0.057 50 20 JBGD C[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1)[C@@H]1SC(=N)NC1=O 1791290915 DKKZFOMPYPBXGO-RVFOSREFSA-N 468.580 -0.858 50 20 JBGD CC(C)(C)OC(=O)N1C[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](O)CCl)[C@@H](O)C1 1792978483 DDKGJDIVBJTYOF-KARBZBNUSA-N 461.943 -0.597 50 20 JBGD CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnccc1C(=O)NN)C2 1793009109 RGQJWLXASNFOHS-UMPJEAMMSA-N 476.534 -0.178 50 20 JBGD O=C1CSc2ncc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)c3ccc(B(O)O)cc3)C4)cc2N1 1800038555 YQTWTLQTWHMWMK-CCWDJLKJSA-N 482.327 -0.677 50 20 JBGD COC(=O)c1ccc(OCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(=O)NN(C)C)C3)cc1 1802230573 XUZRUIPTUDQAJD-FAQVEIGNSA-N 476.530 -0.185 50 20 JBGD COC(=O)[C@@H]1CC[C@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)C1 1830719342 XMFFZXAQLBXEFC-GSHUGGBRSA-N 468.551 -0.595 50 20 JBGD O=C1CCc2ccc(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)[C@H](O)CCl)CCO4)nc2N1 1830723880 SPSJFYIPQSLJKB-FOIQADDNSA-N 452.895 -0.364 50 20 JBGD 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O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CC[C@H]4CCC(=O)N4C3)C[C@@H]21)c1cccc(B(O)O)c1 1786984869 SBPOVKOEVYTSLV-XYYCENQHSA-N 469.347 -0.639 50 20 JBGD C[C@@H](NNc1ccccc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1792504958 BZOWYEHRENTSAN-LAVAIGHBSA-N 452.320 -0.425 50 20 JBGD CC[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(=O)n3[nH]nnc3n1)C2 1800638990 FTMDBBQCDPEEQH-BSTOTGJRSA-N 454.285 -0.811 50 20 JBGD CCS(=O)(=O)c1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)cc1 1801013234 YFCGDOYQQKMORM-FEJSZKPUSA-N 494.614 -0.015 50 20 JBGD C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1802481204 HIJDVCWIJRDVEN-XYTVPYNESA-N 462.315 -0.061 50 20 JBGD CC(=O)N1CCN(CC(=O)N2CC[C@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)CC1 1807362461 LZGBFPDVXPULRR-ZJSXRUAMSA-N 493.373 -0.755 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@H]1CCN(C(=O)CN2C(=O)CNC2=O)[C@@H]1c1cccnc1 1808411106 YVKZEAIKRBEHMF-KFTGWRNYSA-N 494.512 -0.227 50 20 JBGD 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464.287 -0.602 50 20 JBGD Cn1cc(C(=O)N2CCOC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)c(C(F)F)n1 1835937157 QKXRNVLBJSIBIW-NRFANRHFSA-N 478.261 -0.579 50 20 JBGD O=C(CCc1cccc(O)c1)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835939763 GUMBXAVUEXOROD-DEOSSOPVSA-N 468.315 -0.225 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc3nc[nH]c3c1)CCO2 1836931357 UKHGSFVQBHLGRZ-QHCPKHFHSA-N 464.287 -0.374 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnc(Cl)n3)C2)C1 1837460003 YRNRJKCCBUYNTE-FQEVSTJZSA-N 475.893 -0.488 50 20 JBGD C[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1)n1cccn1 1837460366 DLRQYDWSTOSEKS-YCRPNKLZSA-N 457.491 -0.787 50 20 JBGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)CCO2)C1 1839718986 XRAZEWKHCBUQAL-KUHUBIRLSA-N 472.882 -0.533 50 20 JBGD CC[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1)N(CC)CC 1840182554 NPVDRPBXTBWCCW-GCJKJVERSA-N 455.600 -0.064 50 20 JBGD 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1828925053 CNIUYQSOLKRUOI-KRWDZBQOSA-N 451.549 -0.037 50 20 JBGD CC(C)(C)OC(=O)N1CCOC[C@@H]1C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](O)CCl)CCO2)C1 1830725594 KPNFETZQUWAAIE-ZOCZFRKYSA-N 491.969 -0.322 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCC(N2CCC(NC(=O)Cn3ccnn3)CC2)CC1 1834897123 HLOWTTSXRQIKKF-UHFFFAOYSA-N 455.523 -0.838 50 20 JBGD Cc1c(F)ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)c1N 1835868657 GVEQPXQJEACGPR-HSZRJFAPSA-N 471.294 -0.220 50 20 JBGD CCS(=O)(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](F)Br)CCO2)C1 1839198602 KDZPSPNZYKXBBB-TYNCELHUSA-N 474.349 -0.539 50 20 JBGD CCNC(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](F)Br)CCO2)C1 1839200467 LKEAUNZUXKYRBK-HSMVNMDESA-N 453.309 -0.159 50 20 JBGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1840031811 CQSCHQNFYYRWNX-SCLBCKFNSA-N 455.114 -0.780 50 20 JBGD Cn1c(=O)c2c(ncn2CC(=O)N2CC3(CCCN3C(=O)[C@@H](F)Br)C2)n(C)c1=O 1845216297 IEMCADWYAVSFTH-GFCCVEGCSA-N 471.287 -0.672 50 20 JBGD COCCCNC(=O)[C@@H](C)N1CCN(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)CC1 728944546 FPLBEJBKLTXQKT-OAHLLOKOSA-N 483.595 -0.507 50 20 JBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCBr)C2)c1cc(=O)n2[nH]nnc2n1 1777822153 TVIUZLAOSOZJCD-SJKOYZFVSA-N 468.312 -0.275 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1780097317 XDKBZOVKTXKZDJ-QHCPKHFHSA-N 497.269 -0.043 50 20 JBGD COc1ccc(CC(=O)N2CC[C@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)c(C#N)c1 1781173338 CSNMWAVTRJJYTR-DEOSSOPVSA-N 463.299 -0.067 50 20 JBGD CCS(=O)(=O)CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C(C)=N/NC(=O)c1ccc[nH]1)C2 1793316187 AXMKLHDLZLTQAT-MADJGSHVSA-N 453.521 -0.855 50 20 JBGD COC(=O)[C@H]1CC[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(=O)NN(C)C)C3)CC1 1793609178 ASJKHIYCELMUAG-SMOZFGAISA-N 452.552 -0.072 50 20 JBGD CC(C)(C)OC(=O)N[C@H](CCN)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1 1796191220 MTKFKTYGDHFCNO-FCGDIQPGSA-N 474.367 -0.140 50 20 JBGD CC(C)(C)OC(=O)N1CCOC[C@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2 1796334518 HXNJLELQFCMVFS-NPJQDHAYSA-N 461.943 -0.188 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807368723 XLBNJJVGPZJCSD-XMSQKQJNSA-N 467.335 -0.546 50 20 JBGD Cc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)n(-c2cccc(=O)n2C)n1 1830722347 AMPFWJULBJPOJU-JTSKRJEESA-N 493.948 -0.451 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)Cc3cnccn3)CC2)CC1)c1ccc(B(O)O)cc1 1834798082 RPQUTXCXSSUNLY-UHFFFAOYSA-N 451.336 -0.416 50 20 JBGD CC(=O)NC(C)(C)C(=O)N1CCC(N2CCC(NC(=O)c3cccc(B(O)O)c3)CC2)CC1 1834799865 JLXCQIIIUOUVIJ-UHFFFAOYSA-N 458.368 -0.534 50 20 JBGD CN[C@@H](CC(=O)N1CCC(N2CCC(NC(=O)/C(C)=N/NC(=O)c3ccc[nH]3)CC2)CC1)C(=O)O 1835118141 AEWPAFLEYRWMRS-TUCSVVMZSA-N 489.577 -0.245 50 20 JBGD Cc1cc(CC(=O)NC2CCN(C3CCN(C(=O)c4cccc(B(O)O)c4)CC3)CC2)n[nH]1 1835787829 ZEWJQGNLBJTFSH-UHFFFAOYSA-N 453.352 -0.174 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)[C@H]3CNc4ccccc43)C2)C1 1835935403 DRVZFRGMQILZFP-GBXCKJPGSA-N 465.315 -0.354 50 20 JBGD O=C(COc1ccccc1F)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835940140 VRLOSAZRPJPIOZ-HSZRJFAPSA-N 472.278 -0.346 50 20 JBGD CN(CC(=O)N1CCC(OC2CCN(C(=O)C(O)O)CC2)CC1)NC(=O)NCc1ccccc1 1836630979 IDGJVBTUMPQXIX-UHFFFAOYSA-N 477.562 -0.358 50 20 JBGD C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1)N1CCN(C)CC1 1839103204 ITRAPPDAUNRHED-VKJFTORMSA-N 465.364 -0.231 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(-n3cncn3)c1)CCO2 1839437079 DTAHVCRGDQDXQC-QHCPKHFHSA-N 485.545 -0.290 50 20 JBGD COC(=O)[C@@H]1CC[C@@H](C(=O)N2CCOC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)C1 1840182274 CVZNKDVGJMYMQE-DRSNIGMVSA-N 468.551 -0.595 50 20 JBGD C[C@@H]1CCc2c(C(=O)N3CCOC[C@]4(CN(C(=O)CCC(=O)NN(C)C)CCO4)C3)n[nH]c21 1840184640 YYMCKWQYTAYIBT-QRQCRPRQSA-N 462.551 -0.098 50 20 JBGD CCn1cnc2c1c(=O)n(CC(=O)NNC(=O)C1=NN(C)C(=O)CC1)c(=O)n2Cc1ccccc1 10161489 OJRCJSCDXDCMMQ-UHFFFAOYSA-N 480.485 -0.817 50 20 JBGD O=C(Cn1c(=O)[nH]c(=O)c2ccccc21)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 11331228 TXICTYCRFXACMA-UHFFFAOYSA-N 471.495 -0.065 50 20 JBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2cc(F)ccc2Br)n(C)c1=O 728549596 KYLJYOZHVRNKMY-UHFFFAOYSA-N 453.228 -0.204 50 20 JBGD COC(=O)CCCNC(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 915894231 IUTTVJZJLXQFGS-UHFFFAOYSA-N 456.521 -0.076 50 20 JBGD CN(C)CCN1CCC(NC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)CC1 916382474 DCWKDEAFOJSCAA-UHFFFAOYSA-N 482.607 -0.323 50 20 JBGD N[C@@H](Cc1cscn1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2 1777966106 APPSHAJIKQEEEW-NNMXDRDESA-N 472.376 -0.480 50 20 JBGD COC(=O)[C@@H]1CC=CC[C@H]1C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779034982 YPMBHAPASQFWTL-SEPYTNNBSA-N 471.514 -0.116 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)c3nc(O)n4c3CCCC4)C2)C1 1779343793 WZHKGWFKQKSKCO-QFIPXVFZSA-N 454.292 -0.638 50 20 JBGD CN(CC(=O)N1CCO[C@]2(CCN(C(=O)c3cc(CO)on3)C2)C1)NC(=O)NCc1ccccc1 1780396399 SUZDATYHWMDDIA-HSZRJFAPSA-N 486.529 -0.043 50 20 JBGD CN(CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cnnn1C)CCO2)NC(=O)NCc1ccccc1 1780970571 ZYRPYVMRNPZJGV-QFIPXVFZSA-N 470.534 -0.395 50 20 JBGD CN(CC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CCC(=O)N3C)C2)C1)NC(=O)NCc1ccccc1 1781369997 RWWJZAXHRKCZKV-YADARESESA-N 486.573 -0.217 50 20 JBGD C[C@@H](CBr)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNCP(=O)(O)O)[C@H]2C1 1786789262 YASVQJZQGOVKMR-CYDGBPFRSA-N 456.274 -0.278 50 20 JBGD CN1CCCn2nc(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]43)cc2C1 1790524385 JOBMUIQOWWBXFE-QRFRQXIXSA-N 475.594 -0.315 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1CCN(c3ccccn3)CC1)C2)c1ccc(B(O)O)cc1 1795734960 BJHYTVBAGYAZON-JHDGKUDLSA-N 478.358 -0.119 50 20 JBGD C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1)N(C)C(=O)OC(C)(C)C 1795735032 KREJOTAENZCZNL-VYCZESIESA-N 475.351 -0.175 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795735260 UDFXIZDWYUVAMA-VPTLXERWSA-N 497.269 -0.283 50 20 JBGD Cn1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)c(C(F)(F)F)n1 1795740249 JROOSGAYMVXNFP-YWVIFJGQSA-N 466.225 -0.364 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)CS(C)(=O)=O)C2 1796439426 CSJSETWWFLRMRL-GWLPNEETSA-N 467.548 -0.609 50 20 JBGD CC[S@](=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C(C)=N/NC(=O)c1ccc[nH]1)C2 1797605458 YWFRFUMGNOZAFH-DQKZURJJSA-N 451.549 -0.131 50 20 JBGD COc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)c([N+](=O)[O-])cc1O 1798594283 MOCAZTCWAKTHJE-VTEUUUEMSA-N 485.258 -0.494 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H](CNC(=O)c2cc(O)nc(O)n2)[C@H]1c1cccnc1 1808303747 SCJMGUHXJZQAIR-FZKQIMNGSA-N 478.469 -0.085 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@H]1CCN(C(=O)CN(CCO)CCO)[C@H]1c1cccnc1 1808417350 XFAAOSFEIVJRIJ-YEYZRDMLSA-N 499.572 -0.492 50 20 JBGD Cc1cn(CC(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2cnccc2C(=O)NN)CC3)c(=O)nc1O 1827994353 KBVGVXGVCXNZQF-LLVKDONJSA-N 498.525 -0.362 50 20 JBGD O=C(CCc1cc(F)ccn1)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1832847494 HURZRNSQOUMXKI-QHCPKHFHSA-N 471.294 -0.397 50 20 JBGD CC[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc4n(n3)CCNC4=O)CCO2)C1 1834564574 CQDFIUMIKXHLNC-DJJJIMSYSA-N 484.351 -0.130 50 20 JBGD O=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1)c1ccccc1 1834703807 JFYJVHAHAHYGFE-HSZRJFAPSA-N 452.272 -0.681 50 20 JBGD Cc1nc(N)sc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1835804730 UIGLWQKBEWKYQR-HXUWFJFHSA-N 460.321 -0.903 50 20 JBGD O=C(CCc1ccc(F)nc1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835927181 KLHPWCJFMQSFKV-HSZRJFAPSA-N 471.294 -0.397 50 20 JBGD O=C(C1=NO[C@@H](c2ccccc2)C1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835930588 OAHJJCOVVXLLQL-RDGATRHJSA-N 493.325 -0.046 50 20 JBGD Cc1ncc(/C=C/C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)s1 1835934460 TZUFUVLOOAMNSR-WMWRJIBUSA-N 471.344 -0.085 50 20 JBGD COC(=O)Nc1cccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)c1 1835939256 IWYUEOCRZILBNE-DEOSSOPVSA-N 497.313 -0.072 50 20 JBGD O=C(c1cc(=O)n2[nH]nnc2n1)N1CCC(OC2CCN(C(=O)[C@@H](O)CCl)CC2)CC1 1836718116 SHAAXXJLXVDSQJ-AWEZNQCLSA-N 453.887 -0.976 50 20 JBGD Cn1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cnccc4C(=O)NN)CCO3)C2)c2cccnc21 1837458953 GNHJVILFFGSNDA-DEOSSOPVSA-N 493.524 -0.044 50 20 JBGD CCCC(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1837674869 OPXPRGCCMWTSRK-NYHFZMIOSA-N 476.534 -0.940 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(-c3ccccn3)[nH]n1)CCO2 1838050434 JKKPBUDZJSXFLJ-XMMPIXPASA-N 491.313 -0.465 50 20 JBGD Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)nc2nccn12 1839548716 LSVBOMICGQLXHV-HSZRJFAPSA-N 479.302 -0.899 50 20 JBGD CN1CCCn2nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)[C@@H](O)CCl)C4)C3)cc2C1 1839620633 NDDYQPPKMGWCCB-PXNSSMCTSA-N 455.943 -0.612 50 20 JBGD COc1nccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)c1F 1840183821 BSTVLKZYZBYVNC-OAQYLSRUSA-N 467.498 -0.328 50 20 JBGD CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(=O)NNC(=O)C(=O)N2CCCC2)cc1 748342178 BCZIBMIPFMTSJA-UHFFFAOYSA-N 453.521 -0.783 50 20 JBGD CCCCn1nc(C(=O)NNC(=O)NCCN2CCN(S(C)(=O)=O)CC2)c2ccccc2c1=O 749353410 NWVAJURQDPPKDO-UHFFFAOYSA-N 493.590 -0.282 50 20 JBGD CS(=O)(=O)NCCc1ccc(C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)s1 805737992 KUUYTKUYNGNJRV-HNNXBMFYSA-N 483.524 -0.016 50 20 JBGD O=C(CN1CCCS1(=O)=O)NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 916105883 SAIQYEQWPFXPBL-UHFFFAOYSA-N 466.541 -0.038 50 20 JBGD C[Si](C)(C)OCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCS(=O)(=O)CC3)[C@H]2C1 1785033741 HHYJUCUCMXCDEJ-ULQDDVLXSA-N 461.657 -0.452 50 20 JBGD CCOc1cnc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cnccc4C(=O)NN)C[C@@H]32)cn1 1785606739 JMVYDVLVLRRASA-OWQGQXMQSA-N 469.502 -0.219 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1cccn(C(F)F)c1=O 1788798226 PCCSNEUBWHWVHD-WBAXXEDZSA-N 475.257 -0.170 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21)c1ccc(-n2c(O)nnc2O)cc1 1789272750 ZHKSAAAOUXWRGX-HNKHHVNMSA-N 465.894 -0.129 50 20 JBGD CC(C)(C)OC(=O)N1CC[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](O)CCl)C3)[C@H](O)C1 1792449528 GQURXQOVUTYRFN-DBWAAGBOSA-N 475.970 -0.206 50 20 JBGD CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](O)CCl)C1 1792983019 YGNDNVHRWJTTAW-UPYQZRRNSA-N 461.943 -0.452 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc([N+](=O)[O-])cc1F)C2)c1cccc(B(O)O)c1 1795739950 VNKZDSCIUUPWQC-HBCWATKFSA-N 457.223 -0.069 50 20 JBGD COC[C@H](NC(C)=O)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CCC(=O)NN(C)C)CC2 1820197714 PPVCLPWHBYEVCJ-OCCSQVGLSA-N 454.553 -0.421 50 20 JBGD COc1ccc([N+](=O)[O-])c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)n1 1830728217 QNHJYKROUGYBIZ-FZKQIMNGSA-N 458.855 -0.332 50 20 JBGD Cn1c(=O)n(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)c2ccccc21 1830730629 CKZKGHZBIMHQME-DYESRHJHSA-N 466.922 -0.604 50 20 JBGD CS(=O)(=O)c1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)cc1F 1830738394 OUPOHWWWXKNQJO-DNVCBOLYSA-N 478.926 -0.101 50 20 JBGD C[C@H](CC(N)=O)C(=O)NC1CCN(C2CCN(C(=O)c3cnccc3C(=O)NN)CC2)CC1 1833520650 CICVSMFRRDYYQR-CQSZACIVSA-N 459.551 -0.618 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnsn1)CCO2 1833529199 WAUZAAKLWJKLDG-MEGCXXLRSA-N 461.504 -0.258 50 20 JBGD CN1CCN(CCC(=O)N2CCC(N3CCC(NC(=O)c4cccc(B(O)O)c4)CC3)CC2)CC1 1834801153 RROJKGLIEULEGS-UHFFFAOYSA-N 485.438 -0.811 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)c3cc4ccccn4n3)C2)C1 1835928142 FUOSOAONGLLIJW-HSZRJFAPSA-N 464.287 -0.602 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)c3cnnc4ccccc34)C2)C1 1835930235 DJRINDKARMYYPX-DEOSSOPVSA-N 476.298 -0.307 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)C3CCC4(CC3)OCCO4)C2)C1 1835932206 TZDCNFDOXRFREG-HSZRJFAPSA-N 488.346 -0.630 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1)c1ccnnc1O 1836063227 HFBXFWBLJUBQOR-UHFFFAOYSA-N 453.308 -0.639 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccn3cncc13)CCO2 1837109336 HBYGBECEWLNHCN-HSZRJFAPSA-N 464.287 -0.602 50 20 JBGD CC(=O)Nc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)o1 1837458868 FWNOPZZCSLXXIL-JOCHJYFZSA-N 486.485 -0.380 50 20 JBGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cncc(S(C)(=O)=O)c3)C2)C1 1840151230 YFQOMSCRMDYGGP-VQIMIIECSA-N 475.951 -0.191 50 20 JBGD C[C@@H](Oc1cccnc1)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1840453569 KIUIMEIJPMOEMQ-WAIKUNEKSA-N 484.513 -0.382 50 20 JBGD CS(=O)(=O)c1ccc(C(=O)N2CC3(CCCN3C(=O)c3cnccc3C(=O)NN)C2)nc1 1844263719 MYWVLKPIHYTSFF-UHFFFAOYSA-N 458.500 -0.386 50 20 JBGD CCS(=O)(=O)CC(=O)N1CC2(CCCN2C(=O)CN(C)NC(=O)NCc2ccccc2)C1 1845038355 TWOSUONRIWVQEM-UHFFFAOYSA-N 465.576 -0.029 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCCC12CN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O)C2 1846385615 ZYELHTUISWOEPY-HOTGVXAUSA-N 467.567 -0.209 50 20 JBGD Cn1cnc(S(=O)(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 751268066 TZIVVEQYSJWLAN-UHFFFAOYSA-N 457.534 -0.617 50 20 JBGD Cc1nc(N2CCOCC2)sc1C(=O)NNS(=O)(=O)c1cccc(-n2cnnn2)c1 920244105 DEFOQBPLOHEMOD-UHFFFAOYSA-N 450.506 -0.113 50 20 JBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2)c1nc2ccc(F)cn2n1 1781433394 CWIYROTZPDXLMD-WZONZLPQSA-N 481.293 -0.011 50 20 JBGD Cc1cc2nnc(C(=O)N3CCO[C@@]4(CCN(C(=O)CCC(=O)NN(C)C)C4)C3)c(C)n2n1 1783934154 AGDIJLXIHINBSS-OAQYLSRUSA-N 458.523 -0.442 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C/C(=O)NCc1ccccc1 1792939763 YKEMLALUIJARDI-MMXJWNFTSA-N 492.536 -0.239 50 20 JBGD NNC(=O)c1ccncc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CN2CC(=O)NC2=O)[nH]n1 1819401665 NDFUAQNPBSZXGA-AWEZNQCLSA-N 469.462 -0.734 50 20 JBGD Nc1n[nH]c(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(B(O)O)cc3)CC2)n1 1827051825 HEHKCMBOXQFSTD-SFHVURJKSA-N 454.340 -0.067 50 20 JBGD C[C@@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNCP(=O)(O)O)C2)C1 1830537096 BHEWDLDMCVFBEU-SWLSCSKDSA-N 472.273 -0.801 50 20 JBGD C[C@@H](O)[C@H](NC(=O)c1ccccc1)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](O)CCl)CCO2)C1 1830719778 KHOGNADWJVCFCB-XNGFIGEISA-N 483.949 -0.778 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(O)nc(Cl)c1)CCO2 1833576539 PTYKSBZHLZWFFA-OAQYLSRUSA-N 475.694 -0.496 50 20 JBGD CC(=O)c1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)n[nH]1 1833827097 DDOMSNPLKWJSKR-FQEVSTJZSA-N 450.496 -0.945 50 20 JBGD NC[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1)c1ccccc1 1835817336 VFQXDVCHIAYCLL-DVECYGJZSA-N 482.541 -0.502 50 20 JBGD Cc1nc2ccccn2c1C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835928785 ZKQNEVQEPPNVKB-XMMPIXPASA-N 478.314 -0.294 50 20 JBGD CN(C)c1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)cn1 1835931071 FDWCGOPECQOSIR-QHCPKHFHSA-N 468.319 -0.789 50 20 JBGD COc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)nc1 1835937088 NXTKGPVHURHZBG-QFIPXVFZSA-N 455.276 -0.846 50 20 JBGD CCOC(=O)N[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](Br)CC)C2)C1 1837211112 HNRVQCZKFJGJQJ-AHIWAGSCSA-N 466.329 -0.319 50 20 JBGD Cc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)cn1 1837456385 HHZPWRNBHXYPRJ-JOCHJYFZSA-N 454.487 -0.228 50 20 JBGD Cc1ncc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)s1 1837461043 MVARBCPWZZBGCI-NRFANRHFSA-N 474.543 -0.237 50 20 JBGD O=C(COc1ccc(O)nn1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839202879 SFVDZLKPOVUPBY-GDBMZVCRSA-N 463.260 -0.292 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnn3c1OCCC3)CCO2 1839517508 IQVVTSKEESLDCA-LRULAXNGSA-N 499.528 -0.130 50 20 JBGD CCN(CC)C[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1839676278 GCBWZSHKVZBWPD-FDDCHVKYSA-N 461.368 -0.586 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(c3)CC(=O)N4)C2)C1 1840184645 ZEPQZSILVDNISG-HSZRJFAPSA-N 473.530 -0.376 50 20 JBGD CN(CC(=O)N1CC2(CCCN2C(=O)C[C@H]2NC(=O)NC2=O)C1)NC(=O)NCc1ccccc1 1841961345 TVQVONCJGYPKFQ-MRXNPFEDSA-N 471.518 -0.866 50 20 JBGD COC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843015061 DGFXBTUFDVWALN-QGZVFWFLSA-N 489.334 -0.360 50 20 JBGD N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NNC(=O)CNC(=O)c3ccco3)CC2)cc1 725872908 SVXLZOSVBIUETC-UHFFFAOYSA-N 460.472 -0.372 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCc1nc(N)n[nH]1)C2 1779372380 GPKXTXWEBUQVLL-QVKFZJNVSA-N 471.522 -0.854 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H]2CCNC(=O)C2)C1 1782271178 YANCLRDKEOQRJJ-WTBBCNCBSA-N 458.519 -0.661 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1ncn(-c2cccc(F)c2)n1 1785545648 CXWWBSPPMKJDJN-NDXORKPFSA-N 493.304 -0.007 50 20 JBGD Cn1c(=O)n(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)c2ccccc21 1786982991 JTSUPBWRTVMJGJ-JLMWRMLUSA-N 492.341 -0.687 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)[C@@H]1SC(=N)NC1=O 1796425127 MFQYJFOWTSVSDA-PZQYHPIRSA-N 489.558 -0.488 50 20 JBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1797751548 FTJWNMFLFWYXJU-WXKQYWHFSA-N 460.491 -0.583 50 20 JBGD C[C@@H](Nc1cnccn1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1797775905 KHKDIUSDMALLPQ-ZUMXRPEOSA-N 454.491 -0.821 50 20 JBGD C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807359814 LSMXOAXEMAPLTO-JENHRLMUSA-N 462.315 -0.061 50 20 JBGD O=C(CN1C(=O)C=CC1=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1813173616 WXAJVNWSQONNDN-VGSWGCGISA-N 462.271 -0.994 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@H]1CCc2nc(NC(=O)CN(C)C(=O)C(=O)O)sc2C1 1824672175 SLVFJZLGNRLQCJ-DLDHGHKKSA-N 489.514 -0.268 50 20 JBGD O=C(C(O)O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@H](O)CCl)C2)C1 1828521149 VUZBRUMTHLQFGC-FOIQADDNSA-N 455.895 -0.651 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCC(=O)NC1)CCO2 1829952587 QQBBEIDJFYFSDH-LWNDFVOUSA-N 474.518 -0.897 50 20 JBGD CC(C)(C)OC(=O)N1CC(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)C1 1830730433 ACWNDJMTLQPDIN-QRWLVFNGSA-N 461.943 -0.091 50 20 JBGD COc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)c([N+](=O)[O-])cc1O 1830731819 MWXPYAYUGIOZII-KXBFYZLASA-N 473.866 -0.021 50 20 JBGD CC(C)N1CCC(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)CC1 1832412494 NBMUKIBCSGELIH-XMMPIXPASA-N 473.379 -0.443 50 20 JBGD C[C@H](C(=O)N1CCC(N2CCC(NC(=O)[C@H](O)CCl)CC2)CC1)[C@H]1SC(=N)NC1=O 1833310809 TXWSNBNSUPURKZ-NILFDRSVSA-N 460.000 -0.040 50 20 JBGD CC(=O)N(C)[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3cccc(B(O)O)c3)CC2)CC1 1834799984 LHOHFUAWFQVMSY-INIZCTEOSA-N 458.368 -0.582 50 20 JBGD COCCn1nccc1C(=O)NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1835179818 WOHBQTZIHQJGIN-UHFFFAOYSA-N 483.378 -0.292 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)c3ncn(-c4ccccc4)n3)C2)C1 1835936961 LZZCLXPIFPIQCE-XMMPIXPASA-N 491.313 -0.669 50 20 JBGD CCOC(=O)c1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)cc1 1835939038 CDAUCDVZUFWDIR-VWLOTQADSA-N 496.325 -0.073 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)c3ccccc3-n3nccn3)C2)C1 1835939655 WSLOYIHLWSHMJM-XMMPIXPASA-N 491.313 -0.669 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)c1cn3cc(F)ccc3n1)CCO2 1836959687 ZNKFMYWQTUOPEE-HSZRJFAPSA-N 482.277 -0.463 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc3ncncc3c1)CCO2 1837023728 YVRFZVAFSAVIKL-DEOSSOPVSA-N 476.298 -0.307 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1837460284 ZNPHVLJKBBLUJH-DYVFJYSZSA-N 474.287 -0.554 50 20 JBGD O=C1CCc2ccc(C(=O)N3CCO[C@]4(COCCN(C(=O)c5ccc(B(O)O)cc5)C4)C3)cc21 1839528606 GSVSAHVXPDQTTM-VWLOTQADSA-N 478.310 -0.121 50 20 JBGD CC[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)CN(C)C(=O)C(=O)O)CCO2)C1 1839704398 NRTBQUPAMKTDTA-PXAZEXFGSA-N 464.313 -0.841 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cccc([N+](=O)[O-])c3)C2)C1 1840182353 AKSWVNNDHBXOPA-QFIPXVFZSA-N 477.518 -0.033 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccnc3S)C2)C1 1840182716 IVSOGBCLPQPXOA-HXUWFJFHSA-N 451.549 -0.187 50 20 JBGD Cc1ncc(CC(=O)N2CCOC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)s1 1840185095 KZESPMBWIFFPES-FQEVSTJZSA-N 453.565 -0.177 50 20 JBGD CCOC(CC(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1)OCC 1840185590 SNQXTWRWVBOLKT-NRFANRHFSA-N 458.556 -0.395 50 20 JBGD CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843014632 IDUMCBIGLVQNOD-KRWDZBQOSA-N 461.324 -0.541 50 20 JBGD COCCCNC(=O)[C@H](C)N1CCN(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)CC1 728945144 TUHVXQHSZIXYSP-HNNXBMFYSA-N 459.511 -0.825 50 20 JBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NCCc3ccc(S(N)(=O)=O)cc3)nc2)CC1 915884082 RCWRXTJNBKYROK-UHFFFAOYSA-N 497.603 -0.466 50 20 JBGD COc1ccc(CCN2C[C@@H](C(=O)NNC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2=O)cc1OC 919885557 LSEYILLUIPLYHL-LSDHHAIUSA-N 468.532 -0.388 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(C1)CN(C(=O)c1nccc3nc[nH]c13)CCO2 1779030662 SQAMHGIRLCXMFT-NRFANRHFSA-N 450.459 -0.286 50 20 JBGD CN(CC(=O)N1CCO[C@@]2(CCN(C(=O)c3cnc(O)[nH]3)C2)C1)NC(=O)NCc1ccccc1 1779645810 WURQNRNJLHZGNM-QFIPXVFZSA-N 471.518 -0.095 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C(F)(F)C(F)(F)C(=O)O)C[C@@H]21)c1ccc(B(O)O)cc1 1786980235 YGJGHPDVJAVQDJ-UBHSHLNASA-N 476.188 -0.685 50 20 JBGD COc1cncc(CCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)c1 1786984371 BEXDTYURWCDBSK-NYVOZVTQSA-N 467.331 -0.004 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)n3ccnn3)C[C@@H]21 1787507927 YYGQFDJZBXDAGS-GUXQRHPKSA-N 456.507 -0.047 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2)c1ncn2nc(N3CCOCC3)ccc12 1795968797 PTMNQYMYSPKNOW-KPEUIFRASA-N 478.937 -0.631 50 20 JBGD C[C@@H]1Oc2ccc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)c3ccc(B(O)O)cc3)C4)cc2NC1=O 1798581988 AWGKXQCGDVJOII-XTGKAWNFSA-N 479.298 -0.397 50 20 JBGD COC(=O)c1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)s1 1799045642 CLUVYBIRPHIBDW-YVWYUNDQSA-N 472.328 -0.340 50 20 JBGD CN(CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1CC(=O)C1)C2)NC(=O)NCc1ccccc1 1799098999 MOSXOTMQTZGCSJ-RMFSNUHRSA-N 457.531 -0.099 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)NC(=O)OC(C)(C)C 1799680953 HYBHDJRTEFGWQW-LXMJYWGDSA-N 492.533 -0.447 50 20 JBGD Cc1cc(C)n2ncc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)CCC(=O)NN(C)C)c2n1 1801011677 YHJDMWMIPRDRMJ-CWPLJXCYSA-N 457.535 -0.078 50 20 JBGD O=C(NC[C@H]1CCN(C(=O)Cn2ccncc2=O)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807373136 NFFMIVCUDBVWLI-XMSQKQJNSA-N 461.287 -0.662 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H](CNC(=O)Cn2cnnn2)[C@@H]1c1cccnc1 1807611078 JOJAXXNPRHAJGB-KDOFPFPSSA-N 450.463 -0.914 50 20 JBGD CC(C)(C)OC(=O)N[C@H](O)C(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1811507048 LYZWWLWHTQDDNQ-HFSMHLIXSA-N 498.345 -0.076 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)CNCP(=O)(O)O)CC1 1826803961 OWJNFSOFLKEOCJ-KRWDZBQOSA-N 482.478 -0.357 50 20 JBGD Cc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)cn1 1833129822 KZCWCKHIQXFFSH-HSZRJFAPSA-N 453.304 -0.617 50 20 JBGD Cc1nscc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1833746238 RKMSVSYCMYBDNS-FQEVSTJZSA-N 460.516 -0.166 50 20 JBGD Cn1c(C(=O)NC2CCN(C3CCN(C(=O)c4ccc(B(O)O)cc4)CC3)CC2)cccc1=O 1834084408 DXWRNZFWDWEXIL-UHFFFAOYSA-N 466.347 -0.436 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cncn1C)CCO2 1834323903 LXFPXMKFOJKLAO-SGSZHJQISA-N 457.491 -0.376 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](N)CN)CC2)CC1 1835066155 PNUOHSDDMOJNID-IRXDYDNUSA-N 475.034 -0.024 50 20 JBGD CC(C)(C)n1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)n1 1835935296 NJCDUSKVYWOPTO-QHCPKHFHSA-N 470.335 -0.298 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccn3ccnc13)CCO2 1837000719 ZJGTVHVMOQOPCR-HSZRJFAPSA-N 479.497 -0.283 50 20 JBGD O=C(Cc1cn2c(nc1=O)SCC2)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1 1839044813 ZJEWXGOBHOEADT-RDTXWAMCSA-N 460.915 -0.118 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)NC=O)CCO2 1839163652 JZHRSKFUYVVBJL-LHSJRXKWSA-N 478.458 -0.275 50 20 JBGD CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1839227066 IXACWUZYOQVDGX-VFNWGFHPSA-N 462.507 -0.444 50 20 JBGD O=C([C@H](O)CCl)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1[C@@H](O)CCN1Cc1ccccc1)CCO2 1839726706 AYXCEZBEMVRMED-SRYPRDQNSA-N 481.977 -0.322 50 20 JBGD Cc1cc(C(=O)NCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)Br)CCO3)no1 1840033548 ISNYUKXFKDGDOO-FZKQIMNGSA-N 473.324 -0.047 50 20 JBGD CC(=O)N/C(=C\c1ccco1)C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840185878 ZHXXQJHOOZCMFK-FMTUWFKASA-N 491.545 -0.414 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn(C)nc3C(F)(F)F)C2)C1 1840185898 VLQVLLLEMQGNLO-IBGZPJMESA-N 490.483 -0.118 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(CN(C(=O)CSc3nc[nH]n3)CCO2)C1 1840380067 LXAYPHUZPSTAIK-PGLVWIQMSA-N 490.546 -0.513 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CCc3nc(O)nc(O)c3C1)CCO2 1779028346 JNZOMKSGDRAYIJ-ZLOXQWCVSA-N 497.512 -0.865 50 20 JBGD CCS(=O)(=O)CC(=O)N1CCO[C@]2(CCN(C(=O)CN(C)NC(=O)NCc3ccccc3)C2)C1 1780970209 UTANQIWOLQPEAN-QFIPXVFZSA-N 495.602 -0.403 50 20 JBGD CNC(=S)NCCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCC(=O)NN(C)C)C1 1782214126 DVKAQMWKVVLRDS-FOIQADDNSA-N 456.613 -0.643 50 20 JBGD COC(=O)[C@@H]1CCC[C@H](C(=O)N2CC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)C1 1783860885 WMRZFASWDQWUHS-XAEMIUIASA-N 458.320 -0.211 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1cnn(-c2cccnc2)c1 1785729479 BYXPHMMUMLKELR-HSQYWUDLSA-N 475.314 -0.146 50 20 JBGD Cc1ccc(=O)n(C(C)(C)C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)n1 1788730898 VBIFYVGORFOLRR-IHPCNDPISA-N 482.346 -0.740 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CCCS3(=O)=O)[C@H]2C1 1790747617 IIRQFQCDDFDPQN-WMDQAJGNSA-N 479.559 -0.323 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Br)C2)c1cc2n(n1)CCCNC2=O 1797323686 QYRATZVVUASPMQ-RDBQEKCUSA-N 458.288 -0.090 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CNC(=O)C1 1800521104 IFEHILKUFJPZMZ-HAFSJTIUSA-N 458.943 -0.156 50 20 JBGD CC(=O)N[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1812650508 OMLXPMQQXWGCRY-NRXGSXMXSA-N 453.503 -0.076 50 20 JBGD O=C(Nc1cc([C@H]2CCCCN2C(=O)[C@@H]2CCCS2(=O)=O)[nH]n1)c1cccc(B(O)O)c1 1817476907 GSJGDXNTPBSZKF-SJORKVTESA-N 460.321 -0.027 50 20 JBGD CC(=O)OC[C@H](OC(C)=O)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1819854449 AZXFEEINPSMDSU-RDJZCZTQSA-N 489.315 -0.457 50 20 JBGD O=C(c1n[nH]cc1I)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830731554 LYXXZDDIDOKENV-XHDPSFHLSA-N 498.705 -0.316 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1CCC(CO)CC1)CCO2 1832523949 VWUHNRWNXGPPTH-RWWKDMOOSA-N 454.568 -0.386 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCC(N2CCC(NC(=O)CN3CCSCC3)CC2)CC1 1833061906 BDWQABXGUXDBER-UHFFFAOYSA-N 489.646 -0.081 50 20 JBGD N[C@H](C(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1)c1ccccn1 1834797889 IMSYLTILSZVDLI-QFIPXVFZSA-N 465.363 -0.353 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1)c1cn2ncccc2n1 1835392825 BYWMYMCMEZLPBK-UHFFFAOYSA-N 476.346 -0.092 50 20 JBGD CN1CCN(CC(=O)N2CCC(N3CCC(NC(=O)c4cnccc4C(=O)NN)CC3)CC2)CC1 1835737807 CFMWFEGDRXXIGT-UHFFFAOYSA-N 486.621 -0.882 50 20 JBGD O=C(c1ccc2ncoc2c1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835930722 WDSOFFIHPWZTIA-HSZRJFAPSA-N 465.271 -0.109 50 20 JBGD Cc1cc(O)c([N+](=O)[O-])cc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835932236 VMMYTVVAZSVDAF-HSZRJFAPSA-N 499.285 -0.328 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccn(C)n3)CCO2)C1 1836059118 AWGYXEBVSGEUDN-ZHNJOBQTSA-N 471.518 -0.447 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1Cc3ccccc3O1)CCO2 1836647093 BJBGLIJOTICROW-ZJSXRUAMSA-N 466.299 -0.560 50 20 JBGD CCS(=O)(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1 1837710357 XFHXLJVVBNRHCB-QAPCUYQASA-N 465.645 -0.378 50 20 JBGD CC[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3ccncc3=O)C2)C1 1839966746 OKWBGTHQXQWICB-KDOFPFPSSA-N 457.325 -0.127 50 20 JBGD CC(C)(C)OC(=O)NCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1840801546 DIYPQQCUFZZNHT-QHCPKHFHSA-N 491.350 -0.649 50 20 JBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)CCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1 729275118 LNURXAAMLYFUGM-SECBINFHSA-N 476.455 -0.661 50 20 JBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)CN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 913500038 FBNJGBFOCDGQSW-YXUGBTPSSA-N 460.512 -0.430 50 20 JBGD COc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 914652713 GREPQRYKMHHHQS-WCQYABFASA-N 487.918 -0.312 50 20 JBGD COc1cc(CNC(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)ccc1OCC(N)=O 916641005 SBGNZJQHOLLNMR-UHFFFAOYSA-N 479.515 -0.046 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](C)n1cnnn1)C2 1778094246 DOYQEKLKNPKEHR-BNMXHOPLSA-N 471.522 -0.118 50 20 JBGD CCNC(=O)N[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnccc2C(=O)NN)C1 1779372202 BFKMEHYRLUJIRE-WTBBCNCBSA-N 475.550 -0.480 50 20 JBGD CS(=O)(=O)N1CCC(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]3C2)CC1 1784092171 IGTIUJBSCWDMSB-VGWMRTNUSA-N 451.973 -0.763 50 20 JBGD CCOc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)nn1 1786984799 KYQUCLBBKIEIMH-IEZWGBDMSA-N 454.292 -0.538 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)Cc3ccccc3)C[C@@H]21 1788609830 MFDGCBDTYDNSBX-FIRPJDEBSA-N 467.526 -0.118 50 20 JBGD CC(C)(C)OC(=O)N1C[C@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](O)CCl)C[C@@H]32)[C@@H](O)C1 1789809184 YHWVHYCSUCGWKA-UYLCUJDWSA-N 475.970 -0.206 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1cnc2ccc(F)cn12 1800058807 DNDYFKCPXFSXQR-YVWYUNDQSA-N 452.251 -0.330 50 20 JBGD CC(C)(C)OC(=O)N1CC2(C[C@H]2C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)C1 1800707400 OJCFDKARSIODOW-HNJRGHQBSA-N 499.373 -0.173 50 20 JBGD CC(C)(C)OC(=O)NC1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)CC1 1802221295 HKSOCRABDIMFRC-ALXJQNPVSA-N 473.335 -0.373 50 20 JBGD O=C(CN1CCCC1=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1806921976 YLMYOUDNCWKIHO-AVRDEDQJSA-N 450.304 -0.297 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H](CNC(=O)[C@@H](O)N2CCOCC2)[C@@H]1c1cccnc1 1810353436 LPZMJCYRMHNWTF-VBIRCFJVSA-N 497.556 -0.128 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H](CNC(=O)Cn2ccncc2=O)[C@@H]1c1cccnc1 1812343157 QKXMTTYJLXPMGZ-IERDGZPVSA-N 476.497 -0.343 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)Cn2ccncc2=O)[C@@H]1c1cccnc1 1812345183 LSVPQDFXQHIMMI-JTSKRJEESA-N 455.519 -0.283 50 20 JBGD O=C(c1cc(=O)n2[nH]cnc2n1)N1CCC([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827051504 ZKRAVHLCTUEKTH-LJQANCHMSA-N 478.318 -0.356 50 20 JBGD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830728987 ZQWZPPZPIHCVDH-DYESRHJHSA-N 464.906 -0.165 50 20 JBGD Cc1[nH]nc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)c1F 1833671078 IEACNQVYGXFEFJ-FQEVSTJZSA-N 461.454 -0.760 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccnnc1)CCO2 1834026702 UAUNWZZAPSUHKI-JAMLUQCHSA-N 455.475 -0.319 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCC(N2CCC(NC(=O)c3cc(O)nc(O)n3)CC2)CC1 1835077954 YIOUIGWVKWSSEG-UHFFFAOYSA-N 463.539 -0.554 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CCOC[C@]2(CN(C(=O)CS(C)(=O)=O)CCO2)C1 1835256654 LIEPMBDQNAGSAN-FQEVSTJZSA-N 499.498 -0.365 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)C(Cl)(Cl)Cl)C2)C1 1835931995 KGFSXQMZIHRNSG-INIZCTEOSA-N 465.526 -0.193 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)c3cnn4cccc(F)c34)C2)C1 1835932239 VPOASAZBBOXGHZ-QHCPKHFHSA-N 482.277 -0.463 50 20 JBGD Cn1ncc2cc(C(=O)N3CCOC[C@]4(C3)CN(C(=O)c3cccc(B(O)O)c3)CCO4)ccc21 1835936816 FIPJQXXXFWZCTL-DEOSSOPVSA-N 478.314 -0.363 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)c3ccc(Cl)cn3)C2)C1 1835938170 ODBXRTQTFILVHE-OAQYLSRUSA-N 459.695 -0.201 50 20 JBGD CCOc1cnc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)cn1 1837456030 AYNBVAUIASNTSP-JOCHJYFZSA-N 485.501 -0.742 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(F)cn3)C2)C1 1837457760 QBXVFKUOWQEMNX-JOCHJYFZSA-N 472.477 -0.468 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3[C@H]4C=CS[C@H]43)C2)C1 1837460117 VTRKHUVTFZMGJQ-VGKBRBPRSA-N 459.528 -0.370 50 20 JBGD O=C(CS[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1837506459 OXNYPRLXOWYTMJ-IFMALSPDSA-N 478.376 -0.304 50 20 JBGD O=C1NCCn2nc(C(=O)N3CCC(OC4CCN(C(=O)c5ccc(B(O)O)cc5)CC4)CC3)cc21 1837580025 QKCBDLZVONBSNT-UHFFFAOYSA-N 495.345 -0.768 50 20 JBGD CC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](Cc3cnc[nH]3)NC(C)=O)C2)C1 1839148986 PLMNKPPJVUNIFK-QKLQHJQFSA-N 455.943 -0.069 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnn3c1OCCC3)CCO2 1839519003 PUXUDHMVXBNEND-OAQYLSRUSA-N 464.523 -0.891 50 20 JBGD CCS(=O)(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](C)Br)CCO2)C1 1840030241 GJZAHKHBOJWGRF-IOASZLSFSA-N 470.386 -0.446 50 20 JBGD CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)NNC(=O)CNC(=O)c2cccs2)c1 725901950 BVWKTPOEMRLWAS-UHFFFAOYSA-N 467.529 -0.694 50 20 JBGD COc1ccccc1NCC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 914465412 ZLNHMBMXIYIKAH-UHFFFAOYSA-N 461.500 -0.311 50 20 JBGD Cn1cc(S(=O)(=O)NCC(=O)NNC(=O)c2ccc(Cn3nnc(-c4ccccc4)n3)cc2)cn1 915058107 PFWAILQAXDCMBM-UHFFFAOYSA-N 495.525 -0.139 50 20 JBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NC3CCN(S(C)(=O)=O)CC3)nc2)CC1 916238171 ZTBMEHZJNLUTHJ-UHFFFAOYSA-N 475.597 -0.932 50 20 JBGD CNS(=O)(=O)c1cccc(CNC(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c1 916486079 WJVIINKTVRADDO-UHFFFAOYSA-N 469.545 -0.011 50 20 JBGD COCCN1C(=O)/C(=C\NNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)C(=O)NC1=S 920976528 WQMLYBFVVLWZBW-SSZFMOIBSA-N 495.583 -0.131 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN(C)C(=O)C(=O)O)C2 1778092713 MIDLMHQTPARFAN-VZNSRISSSA-N 490.517 -0.823 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1)CCO2 1783932904 JUFOQQYHJXNBNO-SBUREZEXSA-N 497.593 -0.175 50 20 JBGD CC(C)(C)OC(=O)N1CC[C@H]1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1784817798 JHKCQHJYOVHUCX-LEAZDLGRSA-N 487.362 -0.031 50 20 JBGD CS(=O)(=O)c1ccc(C(=O)N2CC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)cc1F 1785225280 ISPUQXLUDPMTLU-QFIPXVFZSA-N 490.318 -0.334 50 20 JBGD CC(C)(C)OC(=O)N1CC(F)(C(=O)N2CC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)C1 1785683764 HYKALYLWLLOEEJ-JOCHJYFZSA-N 491.325 -0.231 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)n3cncn3)C[C@@H]21 1787508392 WBZMHXYPEDJXET-IRSIXNSJSA-N 456.507 -0.047 50 20 JBGD CCOC(=O)N[C@@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](CCl)NC(=O)OC(C)(C)C)C2 1797583364 AUMUCZUYBVZQCW-RGHULWKBSA-N 492.957 -0.227 50 20 JBGD CCNC(=O)N[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1810236319 COEIKPKJFVRZHC-XFQXTVEOSA-N 467.335 -0.211 50 20 JBGD COC[C@H](NC(C)=O)C(=O)N1CC[C@H](CNC(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1810302335 IITJUEUIDBNHJS-LSTHTHJFSA-N 483.529 -0.449 50 20 JBGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)[C@H]1CCCS1(=O)=O)CC2)c1cccc(B(O)O)c1 1815360496 RHZQVLCUAONMTR-CZUORRHYSA-N 463.346 -0.374 50 20 JBGD CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N2CCOC[C@]3(CN(C(=O)[C@H](O)CCl)CCO3)C2)C1 1830738446 OZBLDEYSTJBLID-GQWLDOHISA-N 491.969 -0.586 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)CN(C)C(=O)C(=O)O)CC1 1831166743 LJMXBKWQZPVDDR-INIZCTEOSA-N 453.540 -0.478 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(=O)cco3)CCO2)C1 1834605083 BENLBEDWIFOCJN-NRFANRHFSA-N 457.443 -0.978 50 20 JBGD CSCC[C@@H](O)C(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834798917 HSFVCTUBNIDEGV-HXUWFJFHSA-N 463.409 -0.334 50 20 JBGD Cc1cccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)c1 1835929557 WBQAUAWPBDZRNW-XMMPIXPASA-N 452.316 -0.012 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)c3[nH]cnc3-c3cccnc3)C2)C1 1835938038 GUNYQKTZROMLGB-XMMPIXPASA-N 491.313 -0.465 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)c3cn4c(F)cccc4n3)C2)C1 1835939205 HHPHANLREPPCGS-HSZRJFAPSA-N 482.277 -0.463 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(F)cn3)CCO2)C1 1836034820 ZFWQWHNMXYLRNA-QFIPXVFZSA-N 472.477 -0.468 50 20 JBGD Cc1cc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)on1 1837457002 VOFKUDJFQITLOY-NRFANRHFSA-N 458.475 -0.706 50 20 JBGD Cn1nc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cnccc4C(=O)NN)CCO3)C2)c2c1CCC2 1837459620 SXYXFAYSVQFMEY-HSZRJFAPSA-N 483.529 -0.709 50 20 JBGD Cn1ccc2c(O)ncc(C(=O)N3CCO[C@]4(COCCN(C(=O)c5ccc(B(O)O)cc5)C4)C3)c21 1838437796 UOSVVHWBNSZRIA-DEOSSOPVSA-N 494.313 -0.658 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ccc3ncnn3c1)CCO2 1839049546 JPLOCIBCCOVUHG-JOCHJYFZSA-N 473.534 -0.899 50 20 JBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](CCO)NC(=O)OC(C)(C)C)C2)C1 1840151363 ZKQQZGWLMDUARP-CKJXQJPGSA-N 493.985 -0.028 50 20 JBGD COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NNC(=O)Cn1nc(C)cc1C 12666296 OCRIQRVAQYTPKU-UHFFFAOYSA-N 451.505 -0.009 50 20 JBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(=O)n3[nH]nnc3n1)C2)[C@@H](F)Br 1780773209 GURXBFHJBHSAEU-NSODJVPESA-N 472.275 -0.369 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)COC(=O)C(F)(F)F)C[C@@H]21)c1cccc(B(O)O)c1 1786984264 WQMCEWHXWBAHSP-QEJZJMRPSA-N 458.198 -0.935 50 20 JBGD CN1Cc2ccccc2C[C@@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1793828899 MHFFUQAVLXTURT-IRMYBRCSSA-N 463.343 -0.374 50 20 JBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3c(c1)CC(=O)N3)C2 1797750968 XEBLHAZJPLRXJT-YVWYUNDQSA-N 464.482 -0.303 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CS(=O)(=O)N1CCCC1)C2)[C@@H](F)Br 1799346958 GGKPIDHEBLXGQL-ZMJPVWNMSA-N 456.334 -0.308 50 20 JBGD O=C(NC[C@H]1CCN(C(=O)Cn2ccccc2=O)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807362290 FYWFQJRVQWAILS-XXBNENTESA-N 460.299 -0.057 50 20 JBGD C=CC(=O)N[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807363149 YSJUNPBKZFYQJX-FPDPHYFHSA-N 450.304 -0.228 50 20 JBGD O=C1C[C@H](C(=O)N2CC[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)CCN1 1807374813 OCBXCTJFWOVNFX-MMOPVJDHSA-N 450.304 -0.393 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)CS(=O)(=O)N2CCCC2)[C@@H]1c1cccnc1 1808412102 LHLQNCDFRDGDAW-AVRDEDQJSA-N 494.618 -0.114 50 20 JBGD Nc1n[nH]c(CCC(=O)NC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)n1 1810146110 AACVTPMGJZWVLV-OXJNMPFZSA-N 463.307 -0.586 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H](CNC(=O)[C@@H](O)N2CCOCC2)[C@H]1c1cccnc1 1810353430 LPZMJCYRMHNWTF-DXLRZLTCSA-N 497.556 -0.128 50 20 JBGD CC(C)(C)OC(=O)N[C@H](O)C(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1811507046 LYZWWLWHTQDDNQ-FBBABVLZSA-N 498.345 -0.076 50 20 JBGD CN(CC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cnccc2C(=O)NN)[nH]n1)C(=O)C(=O)O 1821715645 OQZZRRKLFVMVAJ-CQSZACIVSA-N 472.462 -0.743 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(CN(C(=O)CN)CCN2C(=O)OCc2ccccc2)C1 1828961362 QADCERNAFFJHBH-QHCPKHFHSA-N 474.562 -0.230 50 20 JBGD CCC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C2)C1 1831181536 MLPPFNRDCGWCQD-OHAJKSNRSA-N 476.534 -0.509 50 20 JBGD C[C@H](CS(C)(=O)=O)C(=O)NC1CCN(C2CCN(C(=O)c3cnccc3C(=O)NN)CC2)CC1 1833483229 SZQUZMGYXWFYPP-OAHLLOKOSA-N 494.618 -0.449 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)c3cnc4ncccn34)CC2)CC1)c1cccc(B(O)O)c1 1834800069 OZRUBEWFLBODMM-UHFFFAOYSA-N 476.346 -0.092 50 20 JBGD C[C@@](Cl)(CCl)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835931076 FGYCFMSPZRBYEZ-MOPGFXCFSA-N 459.135 -0.327 50 20 JBGD Cc1nccn1CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnccc1C(=O)NN)CCO2 1837460555 HFIMMLZMJPUXBM-HSZRJFAPSA-N 485.545 -0.260 50 20 JBGD CC(C)c1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)n[nH]1 1838697631 ZRWYHVXEWOLBDW-JOCHJYFZSA-N 471.518 -0.085 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(-n3ccnc3)ccn1)CCO2 1838795562 KEDUXJPNCOLJEH-HSZRJFAPSA-N 485.545 -0.290 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)c1cnn3cccc(F)c13)CCO2 1839619201 YWPPRRJQPCIXFD-QHCPKHFHSA-N 482.277 -0.463 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc3nn[nH]c3c1)CCO2 1839628359 BCUBTZAPZMRYHA-JOCHJYFZSA-N 465.275 -0.979 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)ccc3O)C2)C1 1840185887 ZMQKIHNDOHPHCG-OAQYLSRUSA-N 450.492 -0.459 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1840185920 WKEUNJNNZXMKBK-QEPGBGQSSA-N 469.539 -0.655 50 20 JBGD CCN1CCC(C(=O)N2CCOC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)CC1 1840187192 LUDUFGZXWBMLKE-JOCHJYFZSA-N 453.584 -0.452 50 20 JBGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)c1 728176369 NMGGGOSIOSIAEI-MRXNPFEDSA-N 474.605 -0.061 50 20 JBGD NC(=O)[C@@H]1CC(C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)=NN1c1ccccc1 728319612 VVHYODXNSBLAHX-MAUKXSAKSA-N 467.438 -0.363 50 20 JBGD COc1ccc(CCN2C[C@H](C(=O)NNC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2=O)cc1OC 919885556 LSEYILLUIPLYHL-HUUCEWRRSA-N 468.532 -0.388 50 20 JBGD COC(=O)NCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C(C)=N/NC(=O)c2ccc[nH]2)C1 1778094328 FZUIHMIWRSOYKY-BBPCXNGUSA-N 462.507 -0.010 50 20 JBGD CCCC(=O)N[C@@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2 1779518765 WLRDUXCHDWHXSP-XKDCRVNJSA-N 459.352 -0.201 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@]2(CCN(C(=O)c3nccnc3C(N)=O)C2)C1 1779875992 VLJMYMFFVZOVPV-ZUICHYAESA-N 468.474 -0.847 50 20 JBGD O=C(Cc1cc([N+](=O)[O-])ccc1F)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1793806127 MSKGYQBKMGSPOD-VPTLXERWSA-N 471.250 -0.140 50 20 JBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CCc2nc(O)nc(O)c2C1)c1ccc(B(O)O)cc1 1794385699 YJZJZRUKYOCBCY-MXASKKJJSA-N 466.303 -0.376 50 20 JBGD CN(CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1ccnn1)NC(=O)NCc1ccccc1 1795893255 XJGLMOHIGPHQLB-RMFSNUHRSA-N 470.534 -0.786 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCCS1(=O)=O 1800391165 ISEPQMSVRHGXSW-XHPRPZMGSA-N 465.532 -0.713 50 20 JBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCOCCNC(=O)OC(C)(C)C)C2 1801010529 CHADMRODCMVAMR-UPHUGPLXSA-N 499.609 -0.120 50 20 JBGD CCS(=O)(=O)N[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1803510271 VUBSXMGEMOBULJ-ZTNFWEORSA-N 488.375 -0.591 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)c2cc(O)nc(O)n2)[C@@H]1c1cccnc1 1808303965 NAPKKKSOMUFHQS-LIRRHRJNSA-N 457.491 -0.025 50 20 JBGD CC(=O)N1CCN(CC(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2cccc(B(O)O)c2)CC3)CC1 1818893572 GTQBASZWSOMYBV-KRWDZBQOSA-N 485.375 -0.787 50 20 JBGD CCOC(=O)N[C@@H](O)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827052257 RIQYBRAKDIIECW-OALUTQOASA-N 461.324 -0.336 50 20 JBGD C[C@H](O)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1829325151 DPIOZPMBBWOAOE-AVRWGWEMSA-N 495.341 -0.187 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(C3CC3)on1)CCO2 1830196972 RWZMRASIHVUFHV-JOCHJYFZSA-N 455.276 -0.384 50 20 JBGD CN(CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1)C(=O)c1ccccc1 1831145258 KYIZUJXDKJVILH-RUZDIDTESA-N 495.341 -0.791 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCC([C@H]2CCCCN2C(=O)CN(C)C(=O)C(=O)O)CC1 1831166744 LJMXBKWQZPVDDR-MRXNPFEDSA-N 453.540 -0.478 50 20 JBGD O=C(C[C@@H]1COc2ccccc2O1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835934359 XSCUXVHSDWEXHX-CJFMBICVSA-N 496.325 -0.334 50 20 JBGD CCn1nc(C(=O)N2CCOC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)cc1C 1835938306 RSNFLNUIOFEIGA-QFIPXVFZSA-N 456.308 -0.725 50 20 JBGD C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1)c1ccc(O)cc1 1835939101 FLBKJXKNKVOBGV-BXKMTCNYSA-N 468.315 -0.054 50 20 JBGD Cc1nc[nH]c1CSCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1837329375 CFARUJFFFUXHKZ-JOCHJYFZSA-N 488.375 -0.599 50 20 JBGD C[Si](C)(C)OCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(=O)n4[nH]cnc4n3)C2)C1 1837711759 PCXAPQDUQNDUFQ-LJQANCHMSA-N 464.555 -0.661 50 20 JBGD CS(=O)(=O)Cc1ncccc1C(=O)N1CCCC12CN(C(=O)c1cccc(B(O)O)c1)C2 1842240513 UATPMANAQROAQU-UHFFFAOYSA-N 457.317 -0.563 50 20 JBGD COc1cc2c(cc1OC)[C@H](CC(=O)NNC(=O)NCCS(C)(=O)=O)N(S(C)(=O)=O)CC2 727942985 QYTGENILIRFTTQ-AWEZNQCLSA-N 492.576 -0.672 50 20 JBGD CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NNC(=O)C(=O)NC(C)C)CC2)cc1 744446709 KOHDPQDSFFDBNM-UHFFFAOYSA-N 468.532 -0.064 50 20 JBGD COC(=O)c1c(S(=O)(=O)NNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)n[nH]c1C 912521813 PNDYNAVBBKGODT-UHFFFAOYSA-N 451.870 -0.571 50 20 JBGD CC(C)Cn1cnc2c1c(=O)n(CC(=O)NNC(=O)[C@@H]1COCCO1)c(=O)n2Cc1ccccc1 915063496 PIUSXJVGPQGLKN-KRWDZBQOSA-N 484.513 -0.373 50 20 JBGD Cn1nc(C(=O)NNC(=O)NCCS(=O)(=O)NCc2ccccc2)c2ccccc2c1=O 916645111 DCLFDDXSNOHCKQ-UHFFFAOYSA-N 458.500 -0.003 50 20 JBGD CCn1cnc2c1c(=O)n(CC(=O)NNC(=S)NCC(=O)N(C)C)c(=O)n2Cc1ccccc1 918716914 DTACICSSTJBSFI-UHFFFAOYSA-N 486.558 -0.989 50 20 JBGD CC(C)Cn1cnc2c1c(=O)n(CC(=O)NNC(=O)CS(C)(=O)=O)c(=O)n2Cc1ccccc1 919702796 CDFMSQRQAMPMQC-UHFFFAOYSA-N 490.542 -0.744 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)[C@H]3ON=C(c4ccccc4)O3)C2)C1 1778870524 VSOJBVFBNWEULE-DHIUTWEWSA-N 465.271 -0.455 50 20 JBGD Cc1nn(C)c(C)c1CC(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779034860 VIKSRLNOESKAAF-JOCHJYFZSA-N 455.519 -0.278 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnncc2C(=O)O)C1 1779696827 CVMRLZGIGWZIOS-IIBYNOLFSA-N 462.507 -0.325 50 20 JBGD Cn1c(=O)c2c(CC(=O)N3CC[C@]4(C3)CN(C(=O)[C@@H](O)CCl)CCO4)csc2n(C)c1=O 1780922166 VXMVTOXSPRTKBV-RBZFPXEDSA-N 484.962 -0.729 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(N3CCOCC3)c1)C2)c1cccc(B(O)O)c1 1795739750 JBWOARISMFIAHW-JHDGKUDLSA-N 479.342 -0.280 50 20 JBGD CC[C@H](NC(N)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN(C)NC(=O)NCc1ccccc1)C2 1796321670 JMCZITRDUKCBNP-DMUMMCEESA-N 489.577 -0.631 50 20 JBGD Cc1cnc2c(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)c3cnccc3C(=O)NN)cnn2c1 1797751527 CTGNWDQGKLTCTI-ZSBFGKGUSA-N 464.486 -0.447 50 20 JBGD C[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnccc1C(=O)NN)[C@H]1SC(=N)NC1=O 1798440414 NIQBTWURXGVQKB-QKZHPOIUSA-N 459.532 -0.261 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC[C@H](N)C(N)=O)C2 1798522129 GYDNCLXYUYXDDO-AODNKKSCSA-N 477.474 -0.684 50 20 JBGD COC(=O)c1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)s1 1799046142 ZXBTXLNZIUTRIU-YVWYUNDQSA-N 472.328 -0.340 50 20 JBGD CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(B(O)O)cc1)C2 1800178734 CJUSDSGFTMZVNK-RDGPPVDQSA-N 475.351 -0.106 50 20 JBGD C[Si](C)(C)OCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CSCN1C(=O)[C@@H]1CCC(=O)N1 1800337323 VUESOEUJEPKHEW-WPECMILSSA-N 498.678 -0.392 50 20 JBGD O=C(NC[C@H]1CCN(C(=O)CN2CCOCC2)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807365976 XFDWHXMJSOHKCP-KNQAVFIVSA-N 452.320 -0.587 50 20 JBGD CC(=O)N(C)[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1808429787 UBKKQXJNBJZNSB-QFIXIFRTSA-N 452.320 -0.052 50 20 JBGD CN1CCN(C2(C(=O)N[C@H]3CCc4nc(NC(=O)c5ccc(B(O)O)cc5)sc4C3)CC2)CC1 1815343896 VRJDHHXYFDIZGV-KRWDZBQOSA-N 483.403 -0.171 50 20 JBGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C[C@H]1NC(=O)NC1=O)CC2 1826084002 XLBLZSFZUWLFJS-GXSJLCMTSA-N 451.509 -0.974 50 20 JBGD CCc1oncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1834519097 CKFINAGJWDATPQ-OAQYLSRUSA-N 458.475 -0.381 50 20 JBGD C[C@H](C(=O)N1CCC(N2CCC(NC(=O)c3cnccc3C(=O)NN)CC2)CC1)n1cncn1 1835737386 NPUBELRPOMSLOL-OAHLLOKOSA-N 469.550 -0.277 50 20 JBGD Cc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)ncc1[N+](=O)[O-] 1835928741 XLCWBCSHKRSFEG-QFIPXVFZSA-N 484.274 -0.638 50 20 JBGD O=C(C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2)c1ccccc1 1835935690 MIIRATRZIIYCSK-QHCPKHFHSA-N 452.272 -0.681 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C3CCC(O)CC3)C2)C1 1837461570 YROCQWFDBHHWRH-WTOQYCPUSA-N 461.519 -0.694 50 20 JBGD Cc1nnc(CC(=O)N2CCC(OC3CCN(C(=O)c4ccc(B(O)O)cc4)CC3)CC2)o1 1837919407 NMFGBJUGTVCGGE-UHFFFAOYSA-N 456.308 -0.087 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1c(F)cncc1F)CCO2 1838168866 JOGJWKHWOPMGES-FQEVSTJZSA-N 455.462 -0.197 50 20 JBGD CN(CC(=O)N1CCO[C@@]2(COCCN(C(=O)CC(C)(C)O)C2)C1)NC(=O)NCc1ccccc1 1839054259 PEABGPCUOHKUSL-XMMPIXPASA-N 491.589 -0.050 50 20 JBGD N#C/C(=C\c1ccc(F)cc1F)C(=O)N1CCO[C@]2(COCCN(C(=O)CC[C@@H](N)C(N)=O)C2)C1 1839743219 CZKATOFCZKXZSD-ORGVGYNBSA-N 491.495 -0.079 50 20 JBGD CSCC[C@H](NS(=O)(=O)c1ccccc1F)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 728372596 OZBGWAOSFGNOAP-YPMHNXCESA-N 467.566 -0.192 50 20 JBGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)[C@H]2CCCN2C(=O)CNC(C)=O)c1 728512186 MFRVPLHLIKYPAN-QGZVFWFLSA-N 467.548 -0.395 50 20 JBGD CCn1c(CCC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)nc2cc(S(=O)(=O)N(C)C)ccc21 729276284 BJAZSEZOXPGQPT-GFCCVEGCSA-N 488.592 -0.676 50 20 JBGD CSCC[C@H](NS(=O)(=O)c1ccccc1F)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 729277268 XQFZHZBBNNPPGN-JQWIXIFHSA-N 470.570 -0.689 50 20 JBGD NS(=O)(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NNC(=O)c3ccccn3)CC2)cc1 732839386 XFDCYMSESSIGAS-UHFFFAOYSA-N 467.529 -0.409 50 20 JBGD Cc1cc2nnc(C(=O)N3CC[C@@]4(CN(C(=O)CCC(=O)NN(C)C)CCO4)C3)c(C)n2n1 1777784085 JTKDTFCXILDWSA-OAQYLSRUSA-N 458.523 -0.442 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)c3ccc4nncn4c3)CCO2)C1 1779032205 LPLHLAWCBZMAPR-NRFANRHFSA-N 450.459 -0.515 50 20 JBGD COc1nccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)c1F 1787136558 VRFFYJPJMBYILX-WBAXXEDZSA-N 457.267 -0.184 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(CCN3CCCC3)nc1)C2)c1ccc(B(O)O)cc1 1795734442 PEMOWJCLWHRUMD-RUMRUAAYSA-N 492.385 -0.083 50 20 JBGD O=C1CN(CC(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(B(O)O)cc3)CC2)C(=O)N1 1827050735 WHHLVBSBFUFXRA-GOSISDBHSA-N 456.308 -0.849 50 20 JBGD Cc1cn(CC(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2cnccc2C(=O)NN)CC3)c(=O)nc1O 1827994364 KBVGVXGVCXNZQF-NSHDSACASA-N 498.525 -0.362 50 20 JBGD COc1ncccc1CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1833003058 MUOKNAGSIRNZEN-DEOSSOPVSA-N 498.540 -0.209 50 20 JBGD CC(C)(C)n1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)cn1 1833453368 XTYKNTJUMOJMPI-QHCPKHFHSA-N 470.335 -0.298 50 20 JBGD CS(=O)(=O)c1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)cc1 1835349809 ZIBUHHAXPZDHKP-FXAWDEMLSA-N 474.963 -0.311 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCc4ccoc4C3)C2)C1 1835925926 AXZPAJVUKWQHLZ-YADARESESA-N 468.315 -0.166 50 20 JBGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc4n(n3)CCCNC4=O)CCO2)C1 1836780871 JMBXUZYRPOZEKD-VLIAUNLRSA-N 469.926 -0.660 50 20 JBGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)CCN3C(=O)C=CC3=O)C2)C1 1840030680 SNAHFDMTIFQQEC-UGSOOPFHSA-N 458.309 -0.459 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)C3(NC(=O)OC(C)(C)C)CC3)C2)C1 1840187031 IEFNIOHZWFZYQQ-JOCHJYFZSA-N 497.593 -0.127 50 20 JBGD NS(=O)(=O)c1ccc(SCC(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1 728339373 MAOZVBANHUTTCU-MRXNPFEDSA-N 481.508 -0.043 50 20 JBGD COC(=O)c1ccc(S(=O)(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)o1 730766636 QLCXHECQRUAZMF-UHFFFAOYSA-N 473.485 -0.290 50 20 JBGD N=C(N)SCCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnccc2C(=O)NN)C1 1779373568 ZITBESDUWGTILC-FOIQADDNSA-N 463.564 -0.171 50 20 JBGD COC(=O)[C@@H]1CC[C@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]32)C1 1784087698 YVRWRZDUAXDJLU-ADHGMGHFSA-N 452.552 -0.072 50 20 JBGD Cc1nn(C)c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cnccc4C(=O)NN)C[C@@H]32)c1F 1785777192 WDOYGQFCUUJBCK-RCBQFDQVSA-N 459.482 -0.227 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCn3ccnn3)C[C@@H]21 1787508054 ASSBHWIKQMGNMX-SMKMMKTPSA-N 456.507 -0.218 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C[C@@H]21 1788610568 ZGKCKFGOEQCLEF-BPNCWPANSA-N 458.435 -0.777 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(=O)Nc1cccnc1 1797886902 FXRRRLRDCWUHHY-LOHQAQBBSA-N 467.486 -0.256 50 20 JBGD CN(C)C(=O)NCC(=O)NC[C@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1802680901 PROZXIAJYFFZCO-DNVCBOLYSA-N 468.518 -0.329 50 20 JBGD O=C(NC[C@H]1CCN(C(=O)CN2CCOC2=O)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807359985 NVBUGPSCZJLAPH-YLJYHZDGSA-N 452.276 -0.467 50 20 JBGD O=C(NC[C@H]1CCN(C(=O)CN2CCCC2=O)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807371074 PBRFSPPGHYTSBO-XMSQKQJNSA-N 450.304 -0.297 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCC2(CCCN(C(=O)c3cc(=O)n4[nH]cnc4n3)C2)CC1 1809963816 LXEHWWKNUABMKR-UHFFFAOYSA-N 479.501 -0.425 50 20 JBGD O=C(O)CSCC(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1813084716 DSORKTSFOSEYBF-OXQOHEQNSA-N 457.317 -0.101 50 20 JBGD NNC(=O)c1ccncc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3n(n2)CCNC3=O)[nH]n1 1819402142 PGRAQROBHQOUSR-MRXNPFEDSA-N 492.500 -0.032 50 20 JBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1CCc2nc(NC(=O)[C@@H]3CCNC(=O)C3)sc2C1 1826222266 NIRDSQKJXYYBRW-GHMZBOCLSA-N 457.516 -0.106 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(CN(C(=O)COc3ccc(O)cc3)CCO2)C1 1830346045 LNZWBDCWXYZIOI-HSZRJFAPSA-N 485.497 -0.460 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnc(-c3ccccn3)nc1)CCO2 1833292731 FJSCMFNACURFAV-XMMPIXPASA-N 497.556 -0.018 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1n[nH]c(C3CC3)c1F)CCO2 1833682825 HXIZWFZZXAHBCY-JOCHJYFZSA-N 487.492 -0.192 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1)c1ccc[n+]([O-])c1 1833911139 BIWLVCJPHJMYSJ-UHFFFAOYSA-N 452.320 -0.501 50 20 JBGD Cc1cc(C(=O)N2CCC(N3CCC(NC(=O)c4ccc(B(O)O)cc4)CC3)CC2)nn1C 1834797395 IESCLAYQTZDIDJ-UHFFFAOYSA-N 453.352 -0.093 50 20 JBGD C[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(=O)n4[nH]cnc4n3)CCO2)C1 1835926157 RAFUTPPNIXEMGH-DIFFPNOSSA-N 469.296 -0.729 50 20 JBGD O=C(c1ccc(O)c([N+](=O)[O-])c1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835932251 WMLRNTPSALFPIU-QFIPXVFZSA-N 485.258 -0.636 50 20 JBGD O=C(c1cc2cccnn2c1)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835939063 CVAUFLLKPJRHAL-QHCPKHFHSA-N 464.287 -0.602 50 20 JBGD O=C(COc1ccc(O)nn1)N1CCC(OC2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1837921581 QLVVYUOUBFWFBN-UHFFFAOYSA-N 484.318 -0.447 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCC(=O)N3)C2)C1 1838528247 MQGHRBVBAIRSLH-JTSKRJEESA-N 490.469 -0.131 50 20 JBGD CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1839209550 HYIOSWBATPICLV-SXGZJXTBSA-N 479.958 -0.682 50 20 JBGD C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1840090050 UOEFAAZRTJXCEI-OPAMFIHVSA-N 485.582 -0.271 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3N(C)C)C2)C1 1840183724 VYGVCVPXSDXTCV-JOCHJYFZSA-N 462.551 -0.409 50 20 JBGD C[C@H](Nc1cccnc1)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840183922 HZZMNLRSFVQLHG-HTAPYJJXSA-N 462.551 -0.289 50 20 JBGD O=C1NCCCn2nc(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)C(Cl)Cl)CCO4)cc21 1840188453 KLXGWYHTIKRDPY-GOSISDBHSA-N 460.318 -0.110 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)c2cc3n(n2)CCCNC3=O)C1 1843999067 YLMCUQPABYUAQZ-UHFFFAOYSA-N 452.475 -0.854 50 20 JBGD O=C(CNC(=O)c1ccco1)NNC(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 725739738 MXYANMBHFVIKRI-AWEZNQCLSA-N 450.473 -0.072 50 20 JBGD NC[C@@H](C(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1)c1ccccc1 1779031776 XRWOSDGINHZGHJ-JPYJTQIMSA-N 452.515 -0.129 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)CCNC(=O)c3ccccc3)CCO2)C1 1779036227 YJBGKYUNTRVKMW-XMMPIXPASA-N 480.525 -0.051 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1779102314 GUZLBSOEEPPMNX-NWKSEYAWSA-N 460.491 -0.342 50 20 JBGD Cc1c(C(=O)N2CC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)cn2[nH]cnc(=O)c12 1780020480 APCOPGQBMYBQAN-OAQYLSRUSA-N 459.507 -0.852 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc3n(n1)CCCNC3=O)C2 1782215208 YKVUTUAUYUONMU-WZONZLPQSA-N 489.577 -0.483 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)CCO2 1783934721 KVMXSTWZAJHCJO-QHCPKHFHSA-N 470.530 -0.018 50 20 JBGD Cn1c(=O)n(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H](O)CCl)C[C@@H]32)c2ccccc21 1788138542 AXFVANZITSHSPQ-ZZCKCESHSA-N 450.923 -0.081 50 20 JBGD COC(=O)[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)CCl)NC(=O)OC(C)(C)C 1792982647 LDOLAGYPITWVFG-YMSVYLFOSA-N 477.942 -0.368 50 20 JBGD Cc1nc[nH]c1CSCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795739226 SUCQXNBPHMRYQV-CWPLJXCYSA-N 458.349 -0.465 50 20 JBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1[nH]nc3ncccc13)C2 1797750754 SATNGOYKBONCSH-DRXBFXEBSA-N 450.459 -0.527 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnccc1C(=O)NN 1798441768 IWXRSXHYCKOMGR-YFQWEKLQSA-N 462.507 -0.220 50 20 JBGD CN(C)C(=O)NCC(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1802677595 RDIYOIOVSWCADI-FXAWDEMLSA-N 453.308 -0.648 50 20 JBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(=O)n4[nH]cnc4n3)sc2C1 1815330176 MRQQDSFWSIMFDR-SECBINFHSA-N 494.497 -0.588 50 20 JBGD O=C(Cn1ccccc1=O)N[C@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815339769 OLGOOXQCUUORHY-HNNXBMFYSA-N 452.301 -0.089 50 20 JBGD COC[C@H](NC(C)=O)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cnccc2C(=O)NN)n[nH]1 1819403334 FJGLUGPWFHYKFW-IRXDYDNUSA-N 472.506 -0.135 50 20 JBGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cccc(B(O)O)c1)CC2 1826085211 JYQASSCSRXYQPV-AWEZNQCLSA-N 459.337 -0.578 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc([N+](=O)[O-])o1)CCO2 1829484605 KXLFCZCYJGAPBM-FQEVSTJZSA-N 459.220 -0.749 50 20 JBGD C[C@@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3C(=O)C=CC3=O)C2)C1 1830543895 GZEYLNKTSWCHRM-UGSOOPFHSA-N 458.309 -0.601 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CC(c4ccccc4)=NO3)C2)C1 1835927319 NGNTYPWRJBJAFD-WIOPSUGQSA-N 493.325 -0.370 50 20 JBGD C[Si](C)(C)c1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)co1 1835938334 SIGIUGGKTLZHHV-HSZRJFAPSA-N 486.406 -0.112 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn4c3CCC4)C2)C1 1837459304 CDPMGTZBDPQXMC-QFIPXVFZSA-N 469.502 -0.788 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)c1cc3ccoc3cn1)CCO2 1839484675 FZHWCTHRSFLBDP-QHCPKHFHSA-N 465.271 -0.109 50 20 JBGD O=C(c1cccc(N2CCOCC2)n1)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843013832 SWEYYGGQNAXJRU-UHFFFAOYSA-N 450.304 -0.271 50 20 JBGD N#Cc1ccccc1OCC(=O)NNC(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 726710941 ZXQXVMNGEJLAMN-UHFFFAOYSA-N 452.475 -0.204 50 20 JBGD CN(C)S(=O)(=O)c1ccc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)o1 914837227 QNCPIYJWTBEKQA-UHFFFAOYSA-N 486.528 -0.374 50 20 JBGD C[C@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2)n1ccccc1=O 1779524401 CQUKPGDFJFFQIB-WSCWJOSJSA-N 467.331 -0.083 50 20 JBGD CN(CC(=O)N1CC[C@]2(C1)CN(C(=O)CN1CCNC1=N)CCO2)NC(=O)NCc1ccccc1 1780970669 ZOKGICOBEDJKHN-QHCPKHFHSA-N 486.577 -0.998 50 20 JBGD O=C(CN1CCCCC1=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2 1782104155 IEUQVYXOTAVHNS-AUSIDOKSSA-N 457.336 -0.494 50 20 JBGD C[C@H]1Oc2ccc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)c5ccc(B(O)O)cc5)[C@H]4C3)cc2NC1=O 1786981205 YGZDBNTVILHZPK-YZHKUDHRSA-N 493.325 -0.007 50 20 JBGD CC[C@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(=O)n4[nH]nnc4n3)C[C@@H]21 1790960895 BWFZWKCMJOUALO-ZPFDUUQYSA-N 468.312 -0.421 50 20 JBGD C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN(C)NC(=O)NCc1ccccc1)C2 1793345984 WMHXOKYFVDAQKY-RPUPUWCGSA-N 471.558 -0.040 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cc([N+](=O)[O-])ccc1F)C2)c1ccc(B(O)O)cc1 1795732840 MSEWVKHVLMNBTG-VPTLXERWSA-N 471.250 -0.140 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc([N+](=O)[O-])c3c1OCO3)C2)c1ccc(B(O)O)cc1 1795735221 QKXLMQLRYOXGSO-ZSBFGKGUSA-N 483.242 -0.480 50 20 JBGD CC(=O)Nc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)cc1O 1795740507 COLVMPWIVTUKJL-UPHUGPLXSA-N 467.287 -0.453 50 20 JBGD C[C@@H](NC(=O)c1ccccc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2 1802116541 PCXVXOAYONBDDF-LAVAIGHBSA-N 459.547 -0.233 50 20 JBGD O=C(NC[C@H]1CCN(C(=O)c2cnncc2C(=O)O)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807360943 MXKPIAGLIWDNGF-OXQOHEQNSA-N 475.270 -0.117 50 20 JBGD CN1CCN(CC(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cnccc3C(=O)NN)n[nH]2)CC1 1819403186 XBYWGSGGSNDJAI-GOSISDBHSA-N 469.550 -0.039 50 20 JBGD O=C(Cc1cccc([N+](=O)[O-])c1)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1829622071 KBMMBPJDSPQFRT-HSZRJFAPSA-N 483.286 -0.413 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(S(C)(=O)=O)c1)CCO2 1830181961 CGYSAMZJDXKFJG-QFIPXVFZSA-N 496.586 -0.467 50 20 JBGD C[C@@](Cl)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)CCN3C(=O)C=CC3=O)CCO2)C1 1832026988 WFNBEWFYZAGCLE-RTBURBONSA-N 462.330 -0.006 50 20 JBGD CC[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCS(=O)(=O)CC3)CCO2)C1 1832488359 ZJYFSSABZFGPIP-MAUKXSAKSA-N 496.424 -0.653 50 20 JBGD Cc1noc(C)c1CC(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1832561015 IVMVSPSKIHAIGJ-OAQYLSRUSA-N 451.524 -0.337 50 20 JBGD NC(=O)[C@@H](N)CCC(=O)NC1CCN(C2CCN(C(=O)[C@H](F)Br)CC2)CC1 1834734966 GSRRNDYIKVLUKS-ZFWWWQNUSA-N 450.353 -0.159 50 20 JBGD CC(=O)N(C)[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3cnccc3C(=O)NN)CC2)CC1 1835122568 IEHGRZHYAVLMHX-OAHLLOKOSA-N 473.578 -0.263 50 20 JBGD C[C@@H](Oc1ccccc1)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835931345 NHSMILHEZWJXPK-HOYKHHGWSA-N 468.315 -0.096 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)c3cc(-c4ccncc4)[nH]n3)C2)C1 1835938011 GBNQXPHUDAJZTJ-XMMPIXPASA-N 491.313 -0.465 50 20 JBGD N#CCc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)cc1 1835939404 PKWBVCACWHELBU-XMMPIXPASA-N 463.299 -0.184 50 20 JBGD COc1ccsc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1838293362 VXZASKZPYUJMEY-OAQYLSRUSA-N 460.317 -0.180 50 20 JBGD COCCOCCOCCOCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1839220414 LZWUYGXMUYJPDK-WIYYLYMNSA-N 496.985 -0.871 50 20 JBGD Cc1n[nH]c(C)c1CC(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1839242383 ADHUJKJCXOZYAP-OAQYLSRUSA-N 450.540 -0.602 50 20 JBGD Cc1cc(O)c([N+](=O)[O-])cc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1839466631 MEOWTBRNCGPLMP-HSZRJFAPSA-N 499.285 -0.328 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn(C)c3Cl)C2)C1 1840184823 BBGRYGIEYMXVMU-LJQANCHMSA-N 456.931 -0.484 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCc4nc[nH]c4C3)C2)C1 1840185009 ITNONFBRLQLZMD-AOMKIAJQSA-N 462.551 -0.656 50 20 JBGD COC(=O)c1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)cc1 1840277629 HJGGICJTWYWURC-VWLOTQADSA-N 496.325 -0.534 50 20 JBGD CC(C)(C)OC(=O)N1CC[C@H](O)[C@@H](C(=O)N2CC3(CCCN3C(=O)c3ccc(B(O)O)cc3)C2)C1 1843011385 XVYDKPHHXKWPBI-OALUTQOASA-N 487.362 -0.199 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)Cc2cn3c(nc2=O)SCC3)C1 1845021975 BFVSSSUDQUUHSS-UHFFFAOYSA-N 454.317 -0.912 50 20 JBGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)CNC1=NS(=O)(=O)c2ccccc21 12699050 LPIZPIHYFOGLEZ-UHFFFAOYSA-N 464.529 -0.212 50 20 JBGD C[C@H]1COCCN1CCNC(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 729614627 NUQDUBUNZNYPRT-KRWDZBQOSA-N 483.591 -0.309 50 20 JBGD C#CCN1C(=O)C(=NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)c2cc(Br)ccc21 747047370 YBOHBPSVLTWCON-UHFFFAOYSA-N 491.327 -0.166 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)c3nc4ccccn4n3)CCO2)C1 1779030826 XSYKJVJKINWWQZ-OAQYLSRUSA-N 450.459 -0.515 50 20 JBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2)[C@H]1CC[C@@H]2CCC(=O)N2C1 1780605606 PWBKTEJSSOISLZ-FXWJEBAPSA-N 483.374 -0.105 50 20 JBGD COC(=O)c1ccc(OCC(=O)N2CC[C@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)cc1 1785720083 BBDHXNAWIRMJSB-DEOSSOPVSA-N 497.508 -0.006 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1=NN(C)C(=O)CC1 1793785761 YNMYODSAXANWTA-GBQKICQVSA-N 457.491 -0.682 50 20 JBGD CC(C)(C)OC(=O)N1CC[C@H](O)[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](O)CCl)C3)C1 1797119412 FWXYTRCVZSYYCZ-FQMQPWHVSA-N 475.970 -0.206 50 20 JBGD CN1CCCn2nc(C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)c3cccc(B(O)O)c3)C4)cc2C1 1801183467 PCPPFQYJIOLNBM-REPLKXPHSA-N 451.336 -0.036 50 20 JBGD CN1N=C(C(=O)NC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)CCC1=O 1804119286 DJHIPHJULQVQBN-LAUBAEHRSA-N 463.303 -0.311 50 20 JBGD O=C(NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807365647 WCIOZQYEDRPYIL-KNQAVFIVSA-N 473.103 -0.925 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@H](O)N1CCOCC1)CC2 1817281235 BHEFIPPQFLFFSK-NFBAMKOZSA-N 489.558 -0.160 50 20 JBGD CN1CCN(CC(=O)Nc2nc3c(s2)C[C@@H](NC(=O)CCC(=O)NN(C)C)CC3)CC1 1818805015 OAJFUNOMRFCMFO-AWEZNQCLSA-N 451.597 -0.325 50 20 JBGD O=C(N[C@@H]1CCc2nc(NC(=O)c3cc4n(n3)CCCNC4=O)sc2C1)c1cccc(B(O)O)c1 1818913257 HWVOFVAVVFIUFS-CQSZACIVSA-N 494.342 -0.308 50 20 JBGD CN(C)C(=O)NCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cnccc2C(=O)NN)n[nH]1 1819400991 ZWFHYECBLNJYBL-HNNXBMFYSA-N 457.495 -0.015 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 1828926291 CYSPUCWTTPJXII-NRFANRHFSA-N 479.346 -0.088 50 20 JBGD C[C@@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3C(=O)CNC3=O)C2)C1 1830535395 NJFHKPZSPHWKCS-YVEFUNNKSA-N 461.313 -0.974 50 20 JBGD C[Si](C)(C)OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CN1CCS(=O)(=O)CC1)CCO2 1832487991 UAOTYTLRPWSHSB-IBGZPJMESA-N 477.656 -0.975 50 20 JBGD Cc1noc(C)c1CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1832555469 KWHCUSMNSDGXOZ-JOCHJYFZSA-N 457.292 -0.716 50 20 JBGD CN(CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cn(C)cn1)CCO2)NC(=O)NCc1ccccc1 1834447367 HRDNJCNYDYZNFZ-DEOSSOPVSA-N 499.572 -0.164 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(CN(C(=O)CCN3CCCCC3)CCO2)C1 1835134839 MOIROZJLYTXOCH-HSZRJFAPSA-N 474.562 -0.369 50 20 JBGD COc1cccc(OC)c1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835939117 FVKBAPDSNFOVES-XMMPIXPASA-N 484.314 -0.233 50 20 JBGD Cc1n[nH]c(C)c1CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835939648 WRVSDFKHGBJCIV-JOCHJYFZSA-N 456.308 -0.981 50 20 JBGD O=C(c1n[nH]c2c1CS(=O)(=O)C2)N1CCO[C@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1836259130 CSMROJVVGLJWGK-MRXNPFEDSA-N 467.331 -0.288 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)c1cc3cnccc3[nH]1)CCO2 1837101207 GXSUGYRSJHVHMT-QHCPKHFHSA-N 464.287 -0.374 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CCOC[C@]2(CN(C(=O)Cn3nccn3)CCO2)C1 1839236801 LGLQHXIEPJNZEY-NRFANRHFSA-N 488.457 -0.118 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(OCF)cn3)C2)C1 1840183493 HQSWFIOXKMBHKV-HXUWFJFHSA-N 468.486 -0.775 50 20 JBGD COc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)ccc1[N+](=O)[O-] 1840758530 ZVMPGPXMWPAHQD-QHCPKHFHSA-N 499.285 -0.333 50 20 JBGD O=C(COC(=O)CNS(=O)(=O)c1ccc2c(c1)COC2)NNC(=O)[C@H]1COc2ccccc2O1 728343087 UGNUXIXZFCWQJG-GOSISDBHSA-N 491.478 -0.474 50 20 JBGD Cc1csc(CC(=O)NNC(=O)COC(=O)C2=NN(c3ccc(F)cc3)[C@@H](C(N)=O)C2)n1 728717990 KIYIDRZMCQHQGL-CQSZACIVSA-N 462.463 -0.056 50 20 JBGD CCn1cnc2c1c(=O)n(CC(=O)NNC(=O)c1cnn3cccnc13)c(=O)n2Cc1ccccc1 901393125 NJTJLXIFMYFAGC-UHFFFAOYSA-N 487.480 -0.068 50 20 JBGD CNS(=O)(=O)c1ccc(S(=O)(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc1 906374757 LRRVFKLCRVEUSX-UHFFFAOYSA-N 476.558 -0.532 50 20 JBGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)NCCC(=O)N2CCN(C)CC2)c1 916433437 QVCWNFNAPXEXMB-UHFFFAOYSA-N 468.580 -0.175 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](N)CCC(N)=O)C2 1778091590 XKIACYBSTPPYSI-ACEPNWDCSA-N 475.550 -0.773 50 20 JBGD Cc1cc(C(N)=O)cc(C)c1C(=O)N1CC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1779007517 SFYBQCOPFDZSJR-XMMPIXPASA-N 465.315 -0.161 50 20 JBGD C[C@H](NC=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN(C)NC(=O)NCc1ccccc1)C2 1780725048 IMTYJOZAXWJTDV-MFSJNOQSSA-N 488.589 -0.019 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COc3cccnc3)[C@H]2C1 1785146473 BGHXOUVXOKUMJE-JVPBZIDWSA-N 454.487 -0.248 50 20 JBGD Cc1nn2cc(CC(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)c3ccc(B(O)O)cc3)nc2s1 1795732961 SLNREAORMFITST-CCWDJLKJSA-N 469.332 -0.775 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2nc(CO)[nH]c2c1 1796870686 ZTJFYHRLVNZBQJ-VTEUUUEMSA-N 479.497 -0.429 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@H]1CCCCO1 1797815188 LEEOIAKXRDMQDO-WXKQYWHFSA-N 460.491 -0.583 50 20 JBGD CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(B(O)O)cc1)C2 1802028579 XBAQHGKSSUWXHW-IVDHNXQLSA-N 487.362 -0.012 50 20 JBGD C[C@H](CC(N)=O)C(=O)NC[C@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1803666835 LXOVFQCYPWXHMN-ZXYWRSMDSA-N 453.503 -0.089 50 20 JBGD CN1N=C(C(=O)N2CC[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)CCC1=O 1807362234 JWROJAJVDCBVJF-LAUBAEHRSA-N 463.303 -0.311 50 20 JBGD CNC(=S)NCCC(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807375791 QEHJPCCYQOYQDG-XLIONFOSSA-N 469.376 -0.435 50 20 JBGD CN1C(=O)CC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1808758925 UQMLDMTWADJRLR-HFSMHLIXSA-N 450.304 -0.298 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1CCN(C(=O)COc2ccc(O)nn2)[C@@H]1c1cccnc1 1810304890 GZNODVPPYPETBC-YCRPNKLZSA-N 492.496 -0.026 50 20 JBGD CCOC(=O)N[C@H](O)C(=O)N1CC[C@H](CNC(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1 1813072998 JAMOPVVKPQXEHZ-ATZDWAIDSA-N 464.523 -0.475 50 20 JBGD COc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1830227249 JVDZSZFAYOPRMG-XMMPIXPASA-N 484.314 -0.476 50 20 JBGD C[C@@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)CS(=O)(=O)N3CCCC3)C2)C1 1830538748 ORQPBEMAPUCWCY-MAUKXSAKSA-N 496.424 -0.101 50 20 JBGD O=C(/C=C/C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2)NCc1ccco1 1830730860 GDBUQINJNRLROL-LIENPHCYSA-N 455.895 -0.492 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(O)cn1)CCO2 1834586908 PQRMMKNLSXYHIT-BHSKHCGUSA-N 470.486 -0.009 50 20 JBGD Cc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)cc1 1835929473 QKYYGNOTGDTPLS-XMMPIXPASA-N 452.316 -0.012 50 20 JBGD COc1c(Cl)ccnc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835937984 DJAWGMWYJHLUBF-JOCHJYFZSA-N 489.721 -0.193 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)nc(Cl)c3)C2)C1 1837456335 GRJCXJFSWOPJLM-OAQYLSRUSA-N 490.904 -0.177 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(c3)OCO4)C2)C1 1837459644 UYVAZOOWJOIXGC-QHCPKHFHSA-N 483.481 -0.202 50 20 JBGD C[C@@H](CS(C)(=O)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1 1837709920 AZYJJUYBQKHQNB-MAUKXSAKSA-N 450.630 -0.025 50 20 JBGD O=C(NCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1)c1ccccc1 1840799232 PJFBYIZKEJZNCM-LAUBAEHRSA-N 453.923 -0.137 50 20 JBGD NC(=O)[C@@H]1CC(C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)=NN1c1ccc(F)cc1 728314321 NZNQNKRJZSTUJZ-MAUKXSAKSA-N 485.428 -0.224 50 20 JBGD COc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)CNS(=O)(=O)c1cnn(C)c1 919133170 YBUIRTFUQZRHHC-UHFFFAOYSA-N 459.868 -0.635 50 20 JBGD COC[C@H](Cl)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H]1CSCN1C(=O)[C@@H]1CCC(=O)N1)CCO2 1783880163 CHFMPXVRMSIEBI-UJKGCTCZSA-N 488.994 -0.750 50 20 JBGD CS(=O)(=O)Cc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](O)CCl)C[C@@H]32)cn1 1787248883 SBUXQCSFAYXFPC-HJWJTTGWSA-N 459.952 -0.181 50 20 JBGD O=C1CCc2ccc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)c3cccc(B(O)O)c3)nc2N1 1795739080 UKQLVJOETOYOEU-CWPLJXCYSA-N 464.287 -0.837 50 20 JBGD Cc1nc2ccc(F)cn2c1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795741432 XKODYJDDNBOURI-CWPLJXCYSA-N 466.278 -0.021 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C\C(=O)NC1CC1)C2 1796442107 RCIYGGPXDBJQTR-CEAGGLGCSA-N 456.503 -0.455 50 20 JBGD COc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CN(C)NC(=O)NCc2ccccc2)n(C)n1 1799095450 XSUOERDQEURGBB-OPMZPASUSA-N 499.572 -0.022 50 20 JBGD O=C(Cc1ccc2c(c1)CCO2)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1800688780 GUZFFULDERARAA-BBIADKPPSA-N 450.300 -0.253 50 20 JBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3c(n1)NC(=O)CC3)C2 1801011690 ZJLHWWMWQVEZRU-YVWYUNDQSA-N 458.519 -0.458 50 20 JBGD COC(=O)[C@@H]1CC[C@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)C1 1830709056 SQWYIQVVCBOCGQ-YZZKKUAISA-N 474.319 -0.974 50 20 JBGD O=C(c1cnc2c(c1)CCNCC2)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830735492 HUOVGZVFEFPDRG-GHTZIAJQSA-N 452.939 -0.561 50 20 JBGD COC(OC)C(=O)N1CCO[C@]2(COCCN(C(=O)CN(C)NC(=O)NCc3ccccc3)C2)C1 1831038820 UUQVAXGDGUVRSD-QHCPKHFHSA-N 493.561 -0.592 50 20 JBGD O=C(COc1cc(Cl)ccn1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835930629 QOZMZHLGZXEYLT-QFIPXVFZSA-N 489.721 -0.436 50 20 JBGD O=C(CN1CCS(=O)(=O)CC1)N1CCC(OC2CCN(C(=O)[C@@H](O)CCl)CC2)CC1 1836714937 DWBNSFMEPVBMJC-KRWDZBQOSA-N 466.000 -0.685 50 20 JBGD C[C@@H](Nc1ccccn1)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837458774 BECPXGKAFWWMFQ-WAIKUNEKSA-N 483.529 -0.349 50 20 JBGD CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)Br)C2)C1 1840371891 GYRWCKIHTVMYHD-VVFCZOMOSA-N 486.367 -0.303 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1 1840915566 NWQDVEWUIYITIO-BBEJJTJUSA-N 480.921 -0.254 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC2(CCCN2C(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)C1 1845108799 SJSUJBSXKDLCOV-JKSUJKDBSA-N 467.567 -0.209 50 20 JBGD Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)CCC(=O)NNC(=O)C(=O)NC3CC3)CC2)c1 10215850 POFQJIVVLGXILT-UHFFFAOYSA-N 479.559 -0.657 50 20 JBGD O=C(NCCCN1CCCS1(=O)=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 726276280 ADCTVLAGQXIWGD-UHFFFAOYSA-N 489.576 -0.923 50 20 JBGD CCN(CC)S(=O)(=O)c1ccc(NNC(=O)NCCS(=O)(=O)N2CCOCC2)nc1 748111875 PTQLFRUHDGNULI-UHFFFAOYSA-N 464.570 -0.600 50 20 JBGD CN(CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc(CO)on1)CCO2)NC(=O)NCc1ccccc1 1780968417 KRLZEYPTJNTLTP-QHCPKHFHSA-N 486.529 -0.043 50 20 JBGD C[C@@](Cl)(CCl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(=O)n4[nH]nnc4n3)C[C@@H]21 1789865718 DJKQLAYCDZCJKK-WOLPVMLTSA-N 458.306 -0.358 50 20 JBGD O=C1CC[C@@H](C(=O)N2CSC[C@@H]2C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H](F)Cl)C[C@@H]32)N1 1790696041 NJANPGQMJJPAMO-GSTZKUONSA-N 476.958 -0.319 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1cc(O)c(O)c(Cl)c1 1799771010 ZBHKEJZUQOJQGS-ZSBFGKGUSA-N 460.679 -0.052 50 20 JBGD COC(=O)[C@H]1CCC[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)C1 1800964265 KZKVYZBJTNLLQQ-IHEQNBGGSA-N 458.320 -0.451 50 20 JBGD CN1CCN(CC(=O)N2CC[C@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2c2cccnc2)CC1 1813069727 BWTRFQGTOFICJO-AUSIDOKSSA-N 459.595 -0.292 50 20 JBGD Cc1cn(CC(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(B(O)O)cc3)CC2)c(=O)nc1O 1827054662 IYJHQMXIRLVHIA-HXUWFJFHSA-N 482.346 -0.129 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CCOC[C@]2(CN(C(=O)CNC(=N)N)CCO2)C1 1835574467 LZZGHEBMTHRKTM-FQEVSTJZSA-N 478.462 -0.927 50 20 JBGD CC(C)(C)OC(=O)CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835926004 GYUAINUOZHWTAX-XMMPIXPASA-N 490.362 -0.052 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)c3cc(=O)c4ccccc4o3)C2)C1 1835926628 VNMXFVXNPBNHLL-RUZDIDTESA-N 492.293 -0.143 50 20 JBGD O=C(CSc1ncccn1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835928561 RFMBNXTYWAWZCS-OAQYLSRUSA-N 472.332 -0.981 50 20 JBGD CN(C)c1cncc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)c1 1835935205 HGIRXMAZTUNWIM-HSZRJFAPSA-N 468.319 -0.789 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)[C@H](O)c3ccccc3)C2)C1 1835935695 MNSJDUQMYFPYBR-NFBKMPQASA-N 454.288 -0.830 50 20 JBGD O=C(c1cc(O)c(O)c(Cl)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835939423 QFBUJAPWWHWFFU-JOCHJYFZSA-N 490.705 -0.185 50 20 JBGD CC(C)c1nc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)no1 1837456370 GZUVXRUTWQYNFK-QFIPXVFZSA-N 487.517 -0.496 50 20 JBGD Cc1nc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)ccc1F 1837456452 ICOLSFZGXBMTAB-JOCHJYFZSA-N 472.477 -0.089 50 20 JBGD C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837459148 KESCUMRHHKHZBU-JTSKRJEESA-N 461.519 -0.672 50 20 JBGD Cc1nn(C)c(C)c1CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnccc1C(=O)NN)CCO2 1837461190 PZTKGPVJHYQCHJ-QHCPKHFHSA-N 485.545 -0.652 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCC(OC2CCN(C(=O)Cn3ccncc3=O)CC2)CC1 1838724425 RREGVJHQTQVUMZ-UHFFFAOYSA-N 462.551 -0.385 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(-n3cncn3)c1)CCO2 1839436427 SPAPSRRTRHXXLE-XMMPIXPASA-N 491.313 -0.669 50 20 JBGD COCc1oncc1C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840184617 XOHOUZPRXKOEIA-FQEVSTJZSA-N 453.496 -0.736 50 20 JBGD C[C@H](NC(=O)c1ccccc1)C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840187338 UAQVTHQZCTUHGJ-UUOWRZLLSA-N 489.573 -0.366 50 20 JBGD C[C@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3C(=O)C=CC3=O)CCO2)C1 1840260785 AIOSPAJFHYFREG-FZKQIMNGSA-N 458.309 -0.601 50 20 JBGD CCNC(=O)N[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)CCO2)C1 1778953450 HPXGTCUXPHBNQN-HKJANEMASA-N 461.523 -0.342 50 20 JBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2)c1cnn2cccnc12 1778958562 VJKYOBCFBPYPLH-AUSIDOKSSA-N 463.303 -0.150 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](O)CNC(=O)OC(C)(C)C)CCO2 1783933370 WEWMYAHLNCRZOG-QVKFZJNVSA-N 471.555 -0.925 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21 1787508476 KGHVTLFPSZGBHO-ZYDMBTITSA-N 496.528 -0.588 50 20 JBGD Cc1cc2nnc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)c5cnccc5C(=O)NN)[C@H]4C3)c(C)n2n1 1788610107 DPCMGZKACGHXCM-WBAXXEDZSA-N 493.528 -0.353 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(-n3c(O)nnc3O)cc1)C2)[C@H](O)CCl 1792980917 OCWRRXVFBIVJLZ-AYRXBEOTSA-N 451.867 -0.519 50 20 JBGD COc1cccnc1CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1794028944 NLAKIJCJVDXOQZ-FAQVEIGNSA-N 453.304 -0.394 50 20 JBGD Cc1ccc(S(=O)(=O)CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)cc1 1795734282 ATTYXCXDUBOHFF-OPMZPASUSA-N 486.355 -0.648 50 20 JBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccccc1-n1nccn1)C2 1797753621 CBRBDISKWACTMA-YVWYUNDQSA-N 476.497 -0.217 50 20 JBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc2c(c1)NC(=O)CS2 1800039473 XUBDDIUOOHQMIC-HBCWATKFSA-N 476.559 -0.298 50 20 JBGD O=C(CN(CCO)CCO)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](Br)Cc1ccccc1)C2 1800581577 KPQMGRKHFNJTPN-JTJHWIPRSA-N 498.418 -0.131 50 20 JBGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1CCN(S(C)(=O)=O)CC1)C2 1800977988 IICILMMTGNJWOJ-QKPAOTATSA-N 451.973 -0.499 50 20 JBGD CCOC(=O)N[C@H](O)C(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807361093 OUBMTUGMWZFFIG-ILZDJORESA-N 470.291 -0.855 50 20 JBGD O=C(NC[C@H]1CCN(C(=O)c2cc3n(n2)CCNC3=O)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807361423 AKWVPRUTZFTINI-UTKZUKDTSA-N 488.313 -0.665 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@H]1CCN(C(=O)[C@@H](N)CCC(N)=O)[C@@H]1c1cccnc1 1808414576 KGELWHTXBQKCJC-PJQSNNBKSA-N 482.545 -0.186 50 20 JBGD CCNC(=S)NCC(=O)N1CC[C@@H](CNC(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1810304886 GVIKSWGKTZWOLQ-KXBFYZLASA-N 484.586 -0.116 50 20 JBGD CCOc1ncccc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1829540390 HFTIDZWZVHAKFC-QHCPKHFHSA-N 484.513 -0.137 50 20 JBGD CCS(=O)(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)CBr)CCO2)C1 1830534945 FKRRUMUFEASDOH-CPUCHLNUSA-N 484.413 -0.198 50 20 JBGD CN1CCCC[C@@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1830756304 GACHRWUIRYZTEW-GCJKJVERSA-N 460.535 -0.761 50 20 JBGD COC(OC)C(=O)N1CCO[C@]2(COCCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C2)C1 1831033040 QRGSJGTWXKCDCS-ISXGRJCASA-N 451.480 -0.804 50 20 JBGD C[C@H](CS(C)(=O)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1 1831461724 ZXXWQIWJVJCXLA-QAPCUYQASA-N 450.630 -0.025 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCC(N2CCC(NC(=O)Cc3cnc[nH]3)CC2)CC1 1835061369 MCQKRERPVASDDY-UHFFFAOYSA-N 454.535 -0.164 50 20 JBGD COC(=O)C1(C(=O)N2CCC(N3CCC(NC(=O)c4cnccc4C(=O)NN)CC3)CC2)CC1 1835738129 GSSNEPNDCPPXGA-UHFFFAOYSA-N 472.546 -0.177 50 20 JBGD COc1ccccc1C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835931693 XNBNBEAZGMHQQV-QHCPKHFHSA-N 454.288 -0.241 50 20 JBGD Cc1ccc(C(=O)C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)cc1 1835931752 AYLWYQQMUZSNBJ-DEOSSOPVSA-N 466.299 -0.372 50 20 JBGD CC(C)c1nc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)co1 1835934987 AYJBPHNMZWTHSJ-JOCHJYFZSA-N 457.292 -0.138 50 20 JBGD Cc1ccc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)cn1 1835935045 CXIIQWWWFWXZEH-DEOSSOPVSA-N 467.331 -0.227 50 20 JBGD CC(C)n1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)n1 1835937990 DMPLJLCNXVXXFZ-JOCHJYFZSA-N 456.308 -0.472 50 20 JBGD C[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1)n1cccc1C=O 1835958074 IMMDVFDXVRKPTM-HTAPYJJXSA-N 463.535 -0.309 50 20 JBGD C[Si](C)(C)OCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1837711348 FETLDNWBMYTWSO-HXUWFJFHSA-N 450.373 -0.712 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)O)CCO2 1840025838 QYYNXOZJYGMEPQ-RBZFPXEDSA-N 451.432 -0.029 50 20 JBGD C[C@@H](NNc1ccccc1)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840182584 GIMSCZXYFOEJES-WZONZLPQSA-N 476.578 -0.179 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(O)c([N+](=O)[O-])c3)C2)C1 1840184902 FHYQFMLLVDGKMS-NRFANRHFSA-N 479.490 -0.257 50 20 JBGD CCn1cnc2c1c(=O)n(CC(=O)NNC(=O)[C@H]1CCC(=O)NC1)c(=O)n2Cc1ccccc1 918016083 CVZQNYSNHSISAM-HNNXBMFYSA-N 467.486 -0.899 50 20 JBGD CCOC(=O)N[C@@H](O)C(=O)N1CC[C@@]2(CN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)CCO2)C1 1778785319 XHRQPIHRCOMHSI-MEVZDAFMSA-N 464.479 -0.985 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(S(C)(=O)=O)cn1)C2 1782208922 AZKMWCQSNKAGFN-XMSQKQJNSA-N 495.602 -0.014 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)c3cnc4c(c3)NC(=O)CS4)C2)C1 1782424332 OZUGNXVJKZDZIJ-OAQYLSRUSA-N 476.559 -0.058 50 20 JBGD CN(CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3C=CCN3)[C@H]2C1)NC(=O)NCc1ccccc1 1787403045 MYGSWGXYMAMYOI-TUFLPTIASA-N 470.574 -0.160 50 20 JBGD COc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cnccc4C(=O)NN)[C@H]3C2)cn1 1788611643 OAEALLBAGJTFPS-WBAXXEDZSA-N 454.487 -0.004 50 20 JBGD CCCC(=O)N[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21 1788743510 ZQHWXBGWKMQHRM-USJZOSNVSA-N 460.535 -0.417 50 20 JBGD CC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CSCN1C(=O)[C@@H]1CCC(=O)N1 1800336914 JKCUTHBBMWVLKJ-CXKHLATESA-N 472.995 -0.227 50 20 JBGD Cc1ccn2c(=O)c(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)CCC(=O)NN(C)C)cnc2c1 1801011272 FSYOZBPTVDAMLC-VPTLXERWSA-N 470.530 -0.421 50 20 JBGD CCOC(=O)N[C@@H](O)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CCC(=O)NN(C)C)CC2 1819473025 NIARVBZIHWPHEP-QFYYESIMSA-N 456.525 -0.507 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CNC2=O)CC1 1824900267 IJQOHLCSVKLPAB-KRWDZBQOSA-N 471.518 -0.530 50 20 JBGD CCOC(=O)N[C@H](O)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(B(O)O)c2)CC1 1828759675 MWPVWWVDELLOBB-RTBURBONSA-N 461.324 -0.336 50 20 JBGD CCOc1ncccc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1829539578 FPSYUCFSRVQXGL-QHCPKHFHSA-N 469.303 -0.456 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCSCC3)CCO2)C1 1829711242 UARZPZATQLKOBH-PCCDRTMGSA-N 492.602 -0.374 50 20 JBGD CC(C)(C)OC(=O)CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1830801539 VZBFATDABPARQT-XMMPIXPASA-N 490.362 -0.052 50 20 JBGD CCC(=O)N[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834797743 AWXUPHNYFHATGN-INIZCTEOSA-N 458.368 -0.534 50 20 JBGD CCCC(=O)N[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834798364 MHCVDJMGDONLFP-KRWDZBQOSA-N 472.395 -0.144 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)CSc3nc[nH]n3)CC2)CC1)c1ccc(B(O)O)cc1 1834798816 BJMYVXAMDFVHHN-UHFFFAOYSA-N 472.380 -0.538 50 20 JBGD Cc1ccn(CC(=O)N2CCC(N3CCC(NC(=O)c4cccc(B(O)O)c4)CC3)CC2)n1 1834800019 PYIANQRKZLBDAE-UHFFFAOYSA-N 453.352 -0.243 50 20 JBGD CCC(=O)N[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3cccc(B(O)O)c3)CC2)CC1 1834800057 RSYZSTLTLLNTHH-INIZCTEOSA-N 458.368 -0.534 50 20 JBGD O=C(CCc1cnc2[nH]ccc2c1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835931864 FACWOWRYLFNRJU-VWLOTQADSA-N 492.341 -0.055 50 20 JBGD COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)cc1F 1835934169 OAISYWSKDMOWTD-XMMPIXPASA-N 486.305 -0.173 50 20 JBGD O=C(Cc1cccc(F)c1)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835935702 MPSGEZUZQSVDSR-QHCPKHFHSA-N 456.279 -0.182 50 20 JBGD N#Cc1ccccc1OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835940796 ANKDWYALCUKHEZ-XMMPIXPASA-N 479.298 -0.613 50 20 JBGD C[C@@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3nc(N)n[nH]3)CCO2)C1 1837268355 KDYDVWOHGUCUOP-SJCJKPOMSA-N 459.345 -0.193 50 20 JBGD CC[C@H](Br)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)N1CCOCC1)CCO2 1837523495 VXKBEAGWNNLKRX-LESCRADOSA-N 464.357 -0.733 50 20 JBGD CN(CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C=CCN3)C2)C1)NC(=O)NCc1ccccc1 1839054080 GFORFSJNHXCXFJ-GBXCKJPGSA-N 486.573 -0.683 50 20 JBGD C[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1)c1ccc(O)cc1 1839168772 JFAYOGPBRZYCQH-OSPHWJPCSA-N 468.315 -0.054 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccccc1-n1nccn1)CCO2 1839381190 FOUJZDAWTMJCAW-QHCPKHFHSA-N 485.545 -0.290 50 20 JBGD C[Si](C)(C)OCC(=O)N1CCOC[C@@]2(CN(C(=O)COc3ccc(O)nn3)CCO2)C1 1839669775 VQSXCIHVEVEDDU-IBGZPJMESA-N 454.556 -0.131 50 20 JBGD CCOC(=O)N[C@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)Br)CCO2)C1 1840033417 COWPRTBBXISSEO-OZVIIMIRSA-N 452.302 -0.709 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3C[C@@]34C(=O)Nc3ccccc34)C2)C1 1840185442 QKYGACPKIQZYNA-WDNCENIBSA-N 499.568 -0.274 50 20 JBGD N#Cc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1840819114 PEOFHFOVXCKRCY-XMMPIXPASA-N 479.298 -0.613 50 20 JBGD O=C(CNC(=O)c1ccco1)NNC(=O)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 725739740 MXYANMBHFVIKRI-CQSZACIVSA-N 450.473 -0.072 50 20 JBGD O=C(COC(=O)Cn1c(O)nc2ccccc2c1=O)NNC(=O)[C@H]1COc2ccccc2O1 728324132 QBUGGWOXGKKXSR-MRXNPFEDSA-N 454.395 -0.367 50 20 JBGD CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)NNC(=O)C(=O)NC(C)C)c1 744446711 KQYZSJWGUJKSCF-UHFFFAOYSA-N 469.564 -0.161 50 20 JBGD CCn1cnc2c1c(=O)n(CC(=O)NNC(=O)CCCC(N)=O)c(=O)n2Cc1ccccc1 746308287 ZOFCZWCTHYAMIE-UHFFFAOYSA-N 455.475 -0.769 50 20 JBGD CNC(=O)NNC(=O)[C@H](CCSC)NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 919879620 VMJUGKLSZBKXCM-HNNXBMFYSA-N 473.577 -0.481 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CNC(=O)C(F)(F)F)C1 1782239094 NCIQMYHFTJNILP-FZKQIMNGSA-N 465.473 -0.448 50 20 JBGD C[Si](C)(C)OCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3CSCN3C(=O)[C@@H]3CCC(=O)N3)C2)C1 1782873225 IWRVWAIPDFXCCL-MRUHUIDDSA-N 498.678 -0.152 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1)CCO2 1783938075 RRGDRJAMHLFUEU-XZOQPEGZSA-N 497.593 -0.439 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@]2(CCN(C(=O)CN3C(=O)C=CC3=O)C2)C1 1784118436 WPNDHKCEIRYAAW-QFIPXVFZSA-N 486.437 -0.111 50 20 JBGD COC(=O)[C@@H]1CCC[C@@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)C1 1791241703 DYFVXQXLYSMRQS-UTYXMITFSA-N 472.347 -0.061 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1C(=O)CNC1=O 1793764594 JVLDYJPRQIYQBG-DBWKPXFBSA-N 489.441 -0.725 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2 1796439489 HJKOXYKHYGJPCN-GBQKICQVSA-N 472.462 -0.485 50 20 JBGD CC(=O)N1CCN(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)/C(C)=N/NC(=O)c2ccc[nH]2)C3)CC1 1797933168 VIMBYHDDYJGSCB-JAEJZPAFSA-N 471.562 -0.077 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1CCN(C(=O)[C@@H]2CCC(=O)NC2)[C@H]1c1cccnc1 1810294256 IXKMKXOYFWAZSY-YRNRMSPPSA-N 465.514 -0.074 50 20 JBGD CC(=O)N1CCN(CC(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2ccc(B(O)O)cc2)CC3)CC1 1818894169 ZHIIDXKMSILRRM-QGZVFWFLSA-N 485.375 -0.787 50 20 JBGD NNC(=O)c1ccncc1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CN1CCOCC1)CC2 1819795792 RGGSZPDLJYHYQY-GFCCVEGCSA-N 459.532 -0.300 50 20 JBGD O=C1CN(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(B(O)O)cc3)CC2)C(=O)N1 1827050736 WHHLVBSBFUFXRA-SFHVURJKSA-N 456.308 -0.849 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CC[C@H](N)C(N)=O)CC1 1828926415 GHQCSGVGWQKDBL-ZWKOTPCHSA-N 459.551 -0.489 50 20 JBGD CC[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1)N(CC)CC 1831663488 IFGXBGQVENEJEX-REWPJTCUSA-N 461.368 -0.443 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@](C)(O)C(F)(F)F)CCO2 1832157302 WOQVLLLLMVFVED-XMEDJCRESA-N 489.451 -0.110 50 20 JBGD CN(CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ncc[nH]1)CCO2)NC(=O)NCc1ccccc1 1833721192 WQRHPXLIXRIKFM-HSZRJFAPSA-N 485.545 -0.174 50 20 JBGD CC[C@@H](NC)C(=O)N1CCO[C@]2(COCCN(C(=O)CN(C)NC(=O)NCc3ccccc3)C2)C1 1835913321 YNBCGCKCVCDLBS-YKSBVNFPSA-N 490.605 -0.213 50 20 JBGD N#Cc1cccc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)c1 1835926444 NNMWRHLOHSRASH-VWLOTQADSA-N 477.326 -0.059 50 20 JBGD CN(CC(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C)COC3)C2)C1)NC(=O)NCc1ccccc1 1839053994 ATJJYFOTADHIBT-DEOSSOPVSA-N 489.573 -0.175 50 20 JBGD CC(=O)NCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc([N+](=O)[O-])ccc3OC(C)=O)C2)C1 1839859548 QOCMJFSRXVWUJU-NRFANRHFSA-N 478.458 -0.274 50 20 JBGD CC[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1839964367 PLURQOSUSGIAIM-QFBILLFUSA-N 469.141 -0.390 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCCC12CN(C(=O)c1cccc(N3CCCNC(=O)C3)n1)C2 1846384431 STKLDNTYMZUQLL-UHFFFAOYSA-N 471.562 -0.402 50 20 JBGD COc1ccc(C(=O)NCC(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1OC 788093133 JNSSADIKTZWUOK-SFHVURJKSA-N 473.438 -0.036 50 20 JBGD COc1cc2c(cc1OC)[C@@H](CC(=O)NNC(=O)NC[C@@H]1COCCO1)N(S(C)(=O)=O)CC2 918108486 KHMWPFPAFROXNP-GDBMZVCRSA-N 486.547 -0.302 50 20 JBGD CCCNC(=O)CN1CCC(NC(=O)NNC(=O)c2csc(N3CCOCC3)n2)CC1 1248699230 AXCVTQQYYCAMNO-UHFFFAOYSA-N 453.569 -0.086 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)c3ccccc3C(=O)OCCO)C2)C1 1780158026 RMBFKEIYTCUEQW-QHCPKHFHSA-N 476.530 -0.348 50 20 JBGD CN(CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2)NC(=O)NCc1ccccc1 1780969423 LSZHTTZMZAUYCV-LAUBAEHRSA-N 467.954 -0.238 50 20 JBGD N#Cc1ccc2[nH]nc(C(=O)N3CC[C@@]4(CN(C(=O)c5ccc(B(O)O)cc5)CCO4)C3)c2c1 1782195539 FKOQPHJSYIKGCG-QHCPKHFHSA-N 459.271 -0.128 50 20 JBGD CC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)[C@H]2C1 1785190540 PNFSUFYOZZIGNM-AJNGGQMLSA-N 480.953 -0.569 50 20 JBGD CC(=O)Nc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)o1 1786984281 YIKWHYWPOUXGGH-IEZWGBDMSA-N 455.276 -0.175 50 20 JBGD CC(=O)N[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN(C)NC(=O)NCc3ccccc3)[C@H]2C1 1789726628 GZAFFFZWMFXYGW-FIRPJDEBSA-N 488.589 -0.163 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(Br)cn1)C2)c1cccc(B(O)O)c1 1795737287 PAXFGSTXUPBKKL-YVWYUNDQSA-N 488.147 -0.030 50 20 JBGD COC(=O)c1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)cn1 1795739112 WIBHFIMRSLAIRR-HGKCTWBKSA-N 453.260 -0.935 50 20 JBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nn[nH]c1C(F)(F)F)C2 1797753143 VGKMRNBNMYZKND-BZBKMWRSSA-N 468.396 -0.661 50 20 JBGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1CCN(S(C)(=O)=O)CC1)C2 1800977983 IICILMMTGNJWOJ-FZKCQIBNSA-N 451.973 -0.499 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCCC2(CCN(C(=O)c3cc(=O)nc4cccnn34)CC2)C1 1809978107 YRQRMFNPSJIPGV-UHFFFAOYSA-N 475.314 -0.072 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1)c1ccc(O)cn1 1834335376 AJUGIYPLQKOUFT-UHFFFAOYSA-N 452.320 -0.034 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])CC2)CC1)c1cccc(B(O)O)c1 1834801228 RRLPVUBMCNSJBG-UHFFFAOYSA-N 470.295 -0.503 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC1CCN(C2CCN(C(=O)COc3cccnn3)CC2)CC1 1835738080 CLRRMNHQGJETIV-UHFFFAOYSA-N 482.545 -0.261 50 20 JBGD O=C(c1cnn(-c2cccnc2)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835927696 XIPNJTJYIOWPCU-XMMPIXPASA-N 491.313 -0.669 50 20 JBGD Cc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)cc(O)n1 1835936848 GSJGONWAKZACDW-JOCHJYFZSA-N 455.276 -0.841 50 20 JBGD C[C@H](Oc1ccccn1)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835939968 QZRUXGQUOIXTMB-GAJHUEQPSA-N 469.303 -0.701 50 20 JBGD CC(=O)Nc1ccccc1C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835942136 XNXDXAKJWRSBIZ-DEOSSOPVSA-N 481.314 -0.291 50 20 JBGD O=C(CN1CCCCC1=O)N1CCC(OC2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1837921006 RCHSHAKCPPLPIC-UHFFFAOYSA-N 471.363 -0.009 50 20 JBGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cn4c(nc3=O)SCC4)CCO2)C1 1839044776 XHZSIPTYJMQAFD-QRWLVFNGSA-N 486.978 -0.398 50 20 JBGD CN(CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@](C)(Cl)CCl)CCO2)C(=O)C(=O)O 1839155216 OMNFLJQMHJMISG-SJORKVTESA-N 454.307 -0.778 50 20 JBGD N#Cc1ccc(F)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)c1 1839420303 APBZYBZRSOXAJS-HSZRJFAPSA-N 467.262 -0.239 50 20 JBGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)CS(C)(=O)=O)C2)C1 1840030638 RBTJRQCPJHSWBD-HEHGZKQESA-N 455.371 -0.093 50 20 JBGD C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1)N1C[C@@H]2C[C@H]2C1 1840184368 IPKPTDMSHCEBPW-MSQSPTIYSA-N 451.568 -0.844 50 20 JBGD CC(=O)N[C@H](C)C(=O)NNC(=O)Cn1c(=O)c2c(ncn2CC(C)C)n(Cc2ccccc2)c1=O 25402154 GVLKFFWLTXKIJY-OAHLLOKOSA-N 483.529 -0.264 50 20 JBGD CCN(CC)CCN1C(=O)C(=NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)c2ccccc21 730570281 DRCTTWQPPGLKRA-UHFFFAOYSA-N 473.559 -0.220 50 20 JBGD COc1ccc(CC(=O)NNC(=O)C(=O)N2CCCC2)cc1S(=O)(=O)N1CCOCC1 748246783 PQEXJTRJMJXWTL-UHFFFAOYSA-N 454.505 -0.972 50 20 JBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)CN2C(=O)[C@H]3CCCC[C@H]3C2=O)cc1 913500115 TXSBRWWEVVSIGH-IYBDPMFKSA-N 450.517 -0.062 50 20 JBGD CC(=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O)c1cccc(S(=O)(=O)N(C)C)c1 915958476 GOEMZZNKSVGROK-UHFFFAOYSA-N 454.534 -0.638 50 20 JBGD C[C@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)C2)[C@H]1SC(=N)NC1=O 1778084074 ULPPLKRMFUVUEG-NIZXYWGZSA-N 482.607 -0.324 50 20 JBGD CN(CC(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(CO)on3)C2)C1)NC(=O)NCc1ccccc1 1780396402 SUZDATYHWMDDIA-QHCPKHFHSA-N 486.529 -0.043 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CC[C@H]4CCC(=O)N4C3)C2)C1 1781055117 QJUVCZWJRXAYIB-KXNSMUHISA-N 470.530 -0.470 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)c3ccc(O)c([N+](=O)[O-])c3)C2)C1 1781538733 AAEPHZNYABSXRK-OAQYLSRUSA-N 455.232 -0.263 50 20 JBGD COc1ccc([C@H](O)C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)cc1 1783768234 CPLYNWGLBHYPTC-MQGJPIDWSA-N 468.315 -0.298 50 20 JBGD Cc1nc2ncccn2c1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786979622 DWDCMRBZXRQEMF-WDSOQIARSA-N 463.303 -0.375 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccccc3C(=O)OCCO)C[C@@H]21)c1cccc(B(O)O)c1 1786984766 HBWDVEBVCNGPGW-HSQYWUDLSA-N 496.325 -0.577 50 20 JBGD Cc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)ncc1[N+](=O)[O-] 1787639823 WUEPCLVWCQDTPA-KNBMTAEXSA-N 468.275 -0.115 50 20 JBGD Cc1nn(C)c(C)c1CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1791634277 YFPLPIAULHJUFO-YYWHXJBOSA-N 454.336 -0.447 50 20 JBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(Br)CC1)C2 1797753169 WFNVGDKUUAABKQ-GNXNZQSNSA-N 452.309 -0.184 50 20 JBGD O=C(CNC(=O)c1cccnc1)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1804366772 PUBOFTZRXZDDED-CVDCTZTESA-N 487.325 -0.094 50 20 JBGD CCS(=O)(=O)CC(=O)N1CC[C@@H](CNC(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1810293677 GFCPVAMEUBNOMP-KXBFYZLASA-N 474.543 -0.166 50 20 JBGD O=C(CCN1CCOC1=O)N[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815344279 QZYWZXCQHWTGLL-CQSZACIVSA-N 458.305 -0.109 50 20 JBGD O=C(N[C@H]1CCc2nc(NC(=O)[C@H]3CCCS3(=O)=O)sc2C1)c1cccc(B(O)O)c1 1824926983 BNKHMHIEDHDURK-XJKSGUPXSA-N 463.346 -0.374 50 20 JBGD CSCC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1831533282 SFQGKAGALIKYRF-NRFANRHFSA-N 450.366 -0.174 50 20 JBGD CS(=O)(=O)c1cncc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)c1 1833396196 GQHHFXGERNYAHS-CRAIPNDOSA-N 461.924 -0.845 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnn(-c3cccnc3)c1)CCO2 1833621612 OCLGJWMUXZAZOT-HSZRJFAPSA-N 485.545 -0.290 50 20 JBGD Cn1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)c(C(F)(F)F)n1 1835931368 PCBLVSXWYKQKOB-HXUWFJFHSA-N 496.251 -0.498 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1[nH]nc3ccncc13)CCO2 1836449938 VXBZGWMJADNKLZ-JOCHJYFZSA-N 480.485 -0.660 50 20 JBGD COc1ccc([C@@H](O)C(=O)N2CCOC[C@@]3(CN(C(=O)c4cnccc4C(=O)NN)CCO3)C2)cc1 1837455856 GDVRGKWJYXPTCV-HYBUGGRVSA-N 499.524 -0.503 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(N)s3)C2)C1 1837457882 UUGUIORVDJNMHG-IBGZPJMESA-N 461.504 -0.892 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccccc3)C2)C1 1837457903 VFWHNEHQFYEJMS-QHCPKHFHSA-N 453.499 -0.002 50 20 JBGD C[C@@H](C(=O)N1CCC(OC2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1)n1cnnn1 1838789725 VPUOWDOEYCWKPC-HNNXBMFYSA-N 450.544 -0.394 50 20 JBGD Cc1cn(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@](C)(Cl)CCl)CCO3)c(=O)nc1O 1839156370 NRHHCBDGQBGEHB-RTBURBONSA-N 477.345 -0.050 50 20 JBGD NC(=O)c1ncccc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839198412 ZWFUYZSCUHLFJP-CXAGYDPISA-N 459.272 -0.059 50 20 JBGD C[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc4ncccn4n3)C2)C1 1840032859 MHRCJIKXFZMTTB-PXAZEXFGSA-N 453.297 -0.022 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3COc4ccccc4O3)C2)C1 1840182254 ASJUZVUIUKHXJA-WMZHIEFXSA-N 476.530 -0.344 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccn4cncc34)C2)C1 1840184364 IGLPJXGWEXQDIF-QFIPXVFZSA-N 458.519 -0.223 50 20 JBGD CN(CC(=O)N1CC2(CCCN2C(=O)[C@H](CCl)NC(=O)OC(C)(C)C)C1)C(=O)C(=O)O 1841925385 QDWHVSANYAHOBP-LBPRGKRZSA-N 460.915 -0.135 50 20 JBGD CN(CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C[C@H]1NC(=O)NC1=O)NC(=O)NCc1ccccc1 1848128219 ACMBQCKSTRBRKZ-IKGGRYGDSA-N 471.518 -0.868 50 20 JBGD C[C@@H]1COCCN1CCNC(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 729614628 NUQDUBUNZNYPRT-QGZVFWFLSA-N 483.591 -0.309 50 20 JBGD CS(=O)(=O)CC[C@@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)NNC(=O)N1CCOCC1 745995989 GUHQWGDCMVBATE-SNQWNFELSA-N 474.561 -0.547 50 20 JBGD O=C(CS(=O)(=O)CC(=O)Nc1cccc(Br)c1)NNC(=O)C(=O)NC1CC1 915827279 FJTYMVLYCWRXCY-UHFFFAOYSA-N 461.294 -0.772 50 20 JBGD O=C(CCn1cc([N+](=O)[O-])cn1)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 919816342 AOOAIZGHXBGEND-UHFFFAOYSA-N 452.449 -0.337 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc4c(c3)NC(=O)CO4)C2)C1 1778574532 IVRQXAVPCWIVDO-HSZRJFAPSA-N 480.481 -0.227 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)C2)C1 1781342781 NLSHOMLZRFFNHL-AOMKIAJQSA-N 485.582 -0.535 50 20 JBGD C[C@@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1792871268 TYFQFUVSWXQSOF-OHTBPHCPSA-N 454.325 -0.081 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(-c3ccncc3)[nH]n1)C2)c1ccc(B(O)O)cc1 1795734195 IJFSPOCQBIJTCA-UPHUGPLXSA-N 461.287 -0.332 50 20 JBGD CN1CCN(CCC(=O)N[C@H]2CCc3nc(NC(=O)c4ccc(B(O)O)cc4)sc3C2)CC1 1815339961 XPMJQNMEQSCIEY-KRWDZBQOSA-N 471.392 -0.314 50 20 JBGD CC(C)(C)OC(=O)N[C@H](C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2)C(C)(C)O 1830738959 WLXQQPCFHMLDBO-PDSXEYIOSA-N 493.985 -0.293 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCc3ccccc3[C@@H]1O)CCO2 1830821328 DMESHMJCYIBOQW-FXSPECFOSA-N 494.353 -0.268 50 20 JBGD C[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835932225 UWEKRLJFUVAAHE-FZKQIMNGSA-N 455.114 -0.780 50 20 JBGD COc1cncc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)c1 1835935219 IIYADEQJDNYJBI-DEOSSOPVSA-N 483.330 -0.527 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc3ncoc3c1)CCO2 1836572432 MIQFZUPYRNBAHJ-QHCPKHFHSA-N 465.271 -0.109 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(F)cn3)C2)C1 1837456708 MLMALDIPSQECBP-OAQYLSRUSA-N 458.450 -0.397 50 20 JBGD COC(=O)c1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)s1 1839035372 LFJDXEVPBMDHJQ-QFIPXVFZSA-N 496.586 -0.093 50 20 JBGD CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1840060458 PMFGQFSJWBMWAJ-FAPUVCABSA-N 491.969 -0.587 50 20 JBGD Cc1cnc2c(C(=O)N3CCOC[C@@]4(CN(C(=O)CCC(=O)NN(C)C)CCO4)C3)cnn2c1 1840184633 YNUIDLZWEQMLNV-JOCHJYFZSA-N 473.534 -0.519 50 20 JBGD Cc1nccn1[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1840492416 LARPQNRNEZLCNC-NYHFZMIOSA-N 471.518 -0.479 50 20 JBGD Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NNC(=O)c1csc(N2CCOCC2)n1 24291798 SPAXMHUOJLWBBA-UHFFFAOYSA-N 484.560 -0.586 50 20 JBGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)NNC(=O)C(=O)N2CCCC2)c1 748344092 USYCGFHMQJUROD-UHFFFAOYSA-N 453.521 -0.783 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)Cn3c(=O)n(C)c4ccccc43)C2)C1 1778165549 AIVRAQGNLCQDER-HSZRJFAPSA-N 472.546 -0.457 50 20 JBGD CC(=O)NCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN(C)NC(=O)NCc1ccccc1)C2 1781762166 CIUVJJXUXKGVQM-HYBUGGRVSA-N 488.589 -0.017 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4n(n3)CCCO4)C[C@@H]21)c1ccc(B(O)O)cc1 1786979710 MYIDJJNQRLOLSA-IEZWGBDMSA-N 454.292 -0.748 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CS(C)(=O)=O)C[C@@H]21 1787508904 QUYSDYOXRLEMSO-WCVSUZCSSA-N 453.521 -0.855 50 20 JBGD C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1)n1ccccc1=O 1788611044 HFGPTOBCKNZXCU-PDWMJMLSSA-N 468.514 -0.299 50 20 JBGD CC(=O)N[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1ccc(F)cc1 1789696330 RDJMKYIZGWZNLP-QGQQZZQASA-N 497.332 -0.024 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CCNC(=O)C3)[C@H]2C1 1791346206 WHFAXRXOZDRYTQ-MMGYIDLSSA-N 458.519 -0.374 50 20 JBGD Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](O)CCl)n(-c2cccc(=O)n2C)n1 1792977346 SZAAHMUDLCECRX-QHHYFVSCSA-N 463.922 -0.318 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCNC(=O)c1ccc[nH]1)C2 1796439415 BNHAPJJULQAYFU-VTSVMAJYSA-N 483.529 -0.142 50 20 JBGD COc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)c([N+](=O)[O-])cc1O 1798594189 GPQPCOMNTVBNKL-VTEUUUEMSA-N 485.258 -0.494 50 20 JBGD O=C1CC[C@@H](C(=O)N2CSC[C@@H]2C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](F)Cl)C3)N1 1800337317 VLCIFQDFBVKBRG-JWAKXMNJSA-N 462.931 -0.710 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)[C@@H]1C[C@@]12C(=O)Nc1ccccc12 1800764810 UJUOSSHZQCTNCM-OWFGBXLGSA-N 475.310 -0.520 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)CCc2nc(N)n[nH]2)[C@@H]1c1cccnc1 1813072987 IPHSOZYTLZVLHR-MGPUTAFESA-N 457.539 -0.207 50 20 JBGD CC(=O)OC[C@H](OC(C)=O)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1 1817472614 XLSHCEHYRDLFOH-MOPGFXCFSA-N 486.290 -0.110 50 20 JBGD C[C@@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cnccc2C(=O)NN)n[nH]1)n1cnnn1 1819404337 HRGMTGFOSBYSAI-NHYWBVRUSA-N 453.467 -0.038 50 20 JBGD Cc1cn(CC(=O)N[C@H]2CCc3nc(NC(=O)CCC(=O)NN(C)C)sc3C2)c(=O)nc1O 1826092295 YAULAZMBWACSFD-LBPRGKRZSA-N 477.547 -0.301 50 20 JBGD O=C(/C=C/C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2)NCc1ccco1 1830730862 GDBUQINJNRLROL-RVIJTXJMSA-N 455.895 -0.492 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3nnc4ccccc43)CCO2)C1 1832205676 MUHPIGQTFNRABO-HSZRJFAPSA-N 494.512 -0.800 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CC(=O)N(C3CCCC3)C1)CCO2 1832359087 AOXBGGHDVSDWHV-MHECFPHRSA-N 493.605 -0.393 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)c1ncc(Cl)cn1)CCO2 1833785712 MNFVNUQJCQWIOU-FQEVSTJZSA-N 460.683 -0.806 50 20 JBGD Cc1cnc(C(=O)NC2CCN(C3CCN(C(=O)c4cccc(B(O)O)c4)CC3)CC2)cn1 1834161286 WPQVSZXUEWDCMT-UHFFFAOYSA-N 451.336 -0.036 50 20 JBGD CC(=O)N(C)CCC(=O)N1CCC(N2CCC(NC(=O)c3cccc(B(O)O)c3)CC2)CC1 1834799862 IZWLZZFMAPYLDI-UHFFFAOYSA-N 458.368 -0.580 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC1CCN(C2CCN(C(=O)CC[C@H](N)C(N)=O)CC2)CC1 1835118193 GVAWUWVRJDCXQG-UEYIPHHSSA-N 488.593 -0.715 50 20 JBGD C[C@H](Br)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](O)N3CCOCC3)CC2)CC1 1835763295 ANPSROPHHFFPPC-IFXJQAMLSA-N 461.401 -0.008 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccn4nccc4c3)CCO2)C1 1837160303 INHLKFWWBCVBOC-HSZRJFAPSA-N 479.497 -0.283 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ccccn3)C2)C1 1837456586 KSSLCCOBZIVVOL-HSZRJFAPSA-N 468.514 -0.217 50 20 JBGD CCN1CCC(C(=O)N2CCOC[C@]3(CN(C(=O)c4cnccc4C(=O)NN)CCO3)C2)CC1 1837462882 VCXZPIACSLKZEO-HSZRJFAPSA-N 474.562 -0.513 50 20 JBGD Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)nn1C(F)F 1838706878 IHNIDGLPSBGXRA-OAQYLSRUSA-N 493.471 -0.031 50 20 JBGD Cc1nccn1[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840185962 UPRACWYMFUAIKJ-IIBYNOLFSA-N 450.540 -0.418 50 20 JBGD C[C@@H](Oc1ccccn1)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1840424485 ODJSOYAGEARTIC-UZUQRXQVSA-N 469.303 -0.701 50 20 JBGD Cc1cn(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](F)Br)C3)C2)c(=O)nc1O 1840807946 AJZYMOHHNOXBDE-DYVFJYSZSA-N 477.287 -0.596 50 20 JBGD Cn1nc(Br)c2c(=O)n(CC(=O)NNC(=O)c3cccc(S(C)(=O)=O)c3)cnc21 727084423 KRYLRXABJQIABV-UHFFFAOYSA-N 483.304 -0.243 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)c3cnc4c(c3)CCNCC4)CCO2)C1 1779036858 HDIMNSCEDTWNSJ-DEOSSOPVSA-N 479.541 -0.474 50 20 JBGD COC[C@@H](NC(C)=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)C2 1779559490 HYBYATNSJZDAAR-CBGDNZLLSA-N 455.556 -0.976 50 20 JBGD Cc1c(Br)c(C(=O)N2CC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)nn1C 1780367071 GVDFZOSYPKKDLZ-FQEVSTJZSA-N 491.151 -0.072 50 20 JBGD C[C@H](Nc1ccccn1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786984221 REWJUMOUNMXKNE-UHMOLFJZSA-N 452.320 -0.145 50 20 JBGD C[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)n1cccc1C=O 1786994531 ZDCGPESXDRAUST-OQRYQMPQSA-N 453.304 -0.165 50 20 JBGD CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnccc1C(=O)NN)C2 1793009108 RGQJWLXASNFOHS-LOUJCGABSA-N 476.534 -0.178 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)[C@H]1COc2ccccc2O1 1793840753 SSLZRRQOUAAMEH-VAKZPMALSA-N 452.272 -0.590 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@@H]1NC(=O)NC1=O)C2 1793878254 JWEUKKIYRVWQEX-KBRXKUPHSA-N 487.941 -0.694 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1793881114 PQDULVUFJGTGJL-MVJTYMMSSA-N 495.769 -0.298 50 20 JBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ncn(-c2ccccc2)n1 1796541958 ZILSSANVXSAFPZ-CWPLJXCYSA-N 455.519 -0.157 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@@H]1CCCCO1 1797815187 LEEOIAKXRDMQDO-CWYBWMOVSA-N 460.491 -0.583 50 20 JBGD C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)[S@@](=O)c1ccccc1 1800213279 UXAHZLCSMUWNIF-QXXVSFSESA-N 470.356 -0.234 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@H](CNC(=O)[C@@H]2CCC(=O)N2)[C@@H]1c1cccnc1 1806636590 RKGUOJMPKBKWDF-FNHZYXHNSA-N 451.487 -0.322 50 20 JBGD CN1CCN(CC(=O)N2CC[C@H](CNC(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)CC1 1807363902 QCLJWUWRUHCXDM-OFNKIYASSA-N 465.363 -0.672 50 20 JBGD CNC(=S)NCCC(=O)NC[C@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1810308865 CSECGIGFHSQNOD-DNVCBOLYSA-N 484.586 -0.116 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)c1cnc(Cl)nc1)CCO2 1829517475 VUJCNNUNYSPNPL-HXUWFJFHSA-N 460.683 -0.806 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(N)=O)C2)C1 1832551454 ORBQQTGKNAYGEC-XOBRGWDASA-N 476.958 -0.160 50 20 JBGD Cc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)cn1 1833131480 HXECJVTZJWRCJH-HSZRJFAPSA-N 468.514 -0.299 50 20 JBGD O=C(CCOc1ccccc1)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1834829842 IRCTXPDJDQQUEB-XMMPIXPASA-N 468.315 -0.095 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC1CCN(C2CCN(C(=O)COCCO)CC2)CC1 1835117839 PDKSHTOLLNICSX-PCLIKHOPSA-N 462.551 -0.299 50 20 JBGD CC[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)CNCP(=O)(O)O)CCO2)C1 1835542682 ZSQSPDVNZCDSQK-IUODEOHRSA-N 472.273 -0.659 50 20 JBGD O=C(Cc1noc2ccccc12)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835928703 WCTCPFUODSQPGV-XMMPIXPASA-N 479.298 -0.180 50 20 JBGD CN1CCc2cc(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)c3cccc(B(O)O)c3)CCO4)ccc21 1835937441 WTDLWTZJIGTZDP-RUZDIDTESA-N 479.342 -0.258 50 20 JBGD Cc1cccnc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837456023 HKASZGBBBHZTRY-JOCHJYFZSA-N 454.487 -0.228 50 20 JBGD C[C@@H](Nc1cnccn1)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837459973 XMOMJFRCXKUJOG-QRQCRPRQSA-N 484.517 -0.954 50 20 JBGD O=C(CCN1CCOCC1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839198843 DLRSNZCFMUMNQR-WBVHZDCISA-N 452.321 -0.144 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839199812 VILZLTVDMUSRJE-PBHICJAKSA-N 459.077 -0.873 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4nonc4c3)C2)C1 1840184432 LVWBUNFNYFTCGB-OAQYLSRUSA-N 460.491 -0.334 50 20 JBGD CCS(=O)(=O)N[C@@H](C)C(=O)N1CCCC12CN(C(=O)CN(C)NC(=O)NCc1ccccc1)C2 1841582086 GUUXPCWEFBOMAI-KRWDZBQOSA-N 494.618 -0.136 50 20 JBGD COc1cc(C(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)cc(OC)c1OCC(N)=O 17407032 VOUNPYAHJSVIHA-UHFFFAOYSA-N 494.526 -0.042 50 20 JBGD COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NNC(=O)CCN1C[C@@H](C)O[C@H](C)C1 751425936 OEEUINLFLDGLET-HZPDHXFCSA-N 484.575 -0.024 50 20 JBGD O=C(O)COc1ccc(S(=O)(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1 915045044 RXXRTKKDZGZYEL-UHFFFAOYSA-N 499.523 -0.206 50 20 JBGD O=C(O)c1cnncc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2 1779692229 SCBYEUUUPPHGSH-XMSQKQJNSA-N 468.275 -0.704 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(CCN(C(=O)c3cccc4c3NC(=O)C4)C2)C1 1782413895 QTIAPXXGAKHTMB-HSZRJFAPSA-N 464.482 -0.063 50 20 JBGD CC(=O)N(C)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN(C)NC(=O)NCc1ccccc1)C2 1793747977 JJSVYKNQEDEKFK-JHDGKUDLSA-N 488.589 -0.209 50 20 JBGD CC(C)n1nc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(=O)NN(C)C)C3)cc1C(=O)O 1794436128 ZQZVWONGHQKJKR-HBCWATKFSA-N 464.523 -0.262 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1CCN(Cc3ccccn3)CC1)C2)c1cccc(B(O)O)c1 1795737283 OFBLLMCHLWWYPL-RUMRUAAYSA-N 492.385 -0.123 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1798522118 GCGLLTAVYDLTRS-VPTLXERWSA-N 497.269 -0.283 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1cc(-n2ccnc2)ccn1 1798727048 QTRZQEDCOQGNOZ-UPHUGPLXSA-N 461.287 -0.536 50 20 JBGD CN(CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN1CC(=O)NC1=O)C2)NC(=O)NCc1ccccc1 1799865672 HPOXCMHUWYVCSP-BCDXTJNWSA-N 485.545 -0.477 50 20 JBGD COCCOCCOCCOCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Br)C2 1800848823 DCPPFKOBZKEWSW-FSDCSDTHSA-N 485.347 -0.037 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H](CNC(=O)[C@H]2CCC(=O)NC2)[C@@H]1c1cccnc1 1802607948 DYOKQIGZIKBPMW-GUXCAODWSA-N 465.514 -0.074 50 20 JBGD Cc1cn(CC(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cnccc3C(=O)NN)[nH]n2)c(=O)nc1O 1823367410 PITGZQSHMLDQAN-INIZCTEOSA-N 495.500 -0.015 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(C(=O)O)ncn1)CCO2 1833492938 YXYNIGGLALYBME-MNVTYAKESA-N 499.484 -0.621 50 20 JBGD N[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1)c1cccc(Cl)c1 1835928068 CQFUCNRCUIAAOC-OFNKIYASSA-N 487.749 -0.210 50 20 JBGD Cn1cc(C(=O)N2CCOC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)c2cccnc21 1835937930 BJZKNICVCATEMV-DEOSSOPVSA-N 478.314 -0.363 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)c3ccnc4ncccc34)C2)C1 1835939576 UEDOENKBFDORHF-DEOSSOPVSA-N 476.298 -0.307 50 20 JBGD COc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)ccc1[N+](=O)[O-] 1835941872 SSMBGZJTPMEQIL-QHCPKHFHSA-N 499.285 -0.333 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccn3ccnc13)CCO2 1837001678 QUXVJSLLVUYAIM-QFIPXVFZSA-N 458.519 -0.223 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc4[nH]ncc4c3)C2)C1 1837459633 UGQNWDNMHGDNLS-JOCHJYFZSA-N 480.485 -0.660 50 20 JBGD Cc1cc(/C=C/C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)no1 1837554436 RJTFQWSARAQNHO-BDNZGDGKSA-N 455.276 -0.554 50 20 JBGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)n1nc(C)ccc1=O)CCO2 1837659226 VWGVCBCVKIODID-IERDGZPVSA-N 470.954 -0.003 50 20 JBGD CCOC(CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1)OCC 1840280876 LHDLXAJLEXFKHN-JOCHJYFZSA-N 464.324 -0.774 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)CCN2C(=O)Cc3ccccc3C2=O)C1 1841401653 HPWUPWIZBBHUHZ-UHFFFAOYSA-N 475.310 -0.201 50 20 JBGD Cc1c(/C=C(/C#N)C(=O)OCC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)cc(C#N)n1C 913286982 PLVJIWIEEXITTJ-XUKORKDYSA-N 459.528 -0.013 50 20 JBGD CN1CCN(C(=O)CCNC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)CC1 916433425 PQYWASHIIBIFQL-UHFFFAOYSA-N 466.564 -0.421 50 20 JBGD CN(C)C(=O)CCCNC(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 919924040 VAXLWEUDQBGCHQ-UHFFFAOYSA-N 469.564 -0.161 50 20 JBGD CN[C@H](CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C(C)=N/NC(=O)c2ccc[nH]2)C1)C(=O)O 1778091494 SINLRAWLMWLAJM-BONYQSMPSA-N 476.534 -0.303 50 20 JBGD O=C(/C=C/c1cnccn1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2 1782617507 QJAVWCCCZDZVCM-SJUPYBQOSA-N 450.304 -0.003 50 20 JBGD N#C/C(=C\c1ccc(F)cc1F)C(=O)N1CC[C@]2(CN(C(=O)CN(CCO)CCO)CCO2)C1 1782867166 PYAQBTIMRQULNF-KUDIEGTJSA-N 478.496 -0.012 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(=O)nc4sccn34)C[C@@H]21)c1ccc(B(O)O)cc1 1786981176 XKQAPBFJDYYWBW-ZVZYQTTQSA-N 482.327 -0.657 50 20 JBGD C[C@H](Cn1ccnc1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21 1791630540 OFXVMGFKKQTRNX-PDWMJMLSSA-N 455.519 -0.189 50 20 JBGD CS(=O)(=O)c1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)cc1 1795415155 KUUUNBMEPLHUEO-OPMZPASUSA-N 486.355 -0.784 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cccc([N+](=O)[O-])c1)C2)c1cccc(B(O)O)c1 1795736684 ATDIFGOUIWBSPI-UPHUGPLXSA-N 453.260 -0.280 50 20 JBGD C=CC(=O)N[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN(C)NC(=O)NCc1ccccc1)C2 1797946151 NGIWVLANRVZEPR-NSAZKJPHSA-N 486.573 -0.387 50 20 JBGD CN(CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1=NNC(=O)C1)C2)NC(=O)NCc1ccccc1 1799871406 ASTHTROMOJCIDY-BJWYYQGGSA-N 455.519 -0.153 50 20 JBGD CCOC(=O)N[C@H](O)C(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807373822 CCRGAJUUBBRSHE-YVWKXTFCSA-N 470.291 -0.855 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@H]1CCN(C(=O)c2nccnc2C(N)=O)[C@H]1c1cccnc1 1810301705 AHOBLESGCULGLB-KUHUBIRLSA-N 489.496 -0.398 50 20 JBGD CNC(=S)NCCC(=O)NC[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1810312279 UIODZHZZPXQUFW-OXJNMPFZSA-N 463.608 -0.056 50 20 JBGD NNC(=O)c1ccncc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)CN2CC(=O)NC2=O)[nH]n1 1819401666 NDFUAQNPBSZXGA-CQSZACIVSA-N 469.462 -0.734 50 20 JBGD CC(=O)OC[C@@H](OC(C)=O)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cccc(B(O)O)c1)CC2 1819855461 KJFJPQVTSHQISG-NVXWUHKLSA-N 489.315 -0.457 50 20 JBGD CCOC(=O)N[C@@H](O)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cnccc2C(=O)NN)CC1 1828924080 IOMBVOBBRUULBT-HKUYNNGSSA-N 476.534 -0.017 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)CN(CCO)CCO)CC1 1831875580 ZICCRDUQTVZJIQ-IBGZPJMESA-N 455.600 -0.734 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1COc3ccccc3O1)CCO2 1832498241 CXVMKORQCRJSTK-CVDCTZTESA-N 476.530 -0.344 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CS(C)(=O)=O)C2)C1 1832549212 HMJPCLSJFBZUCE-IFXJQAMLSA-N 497.998 -0.381 50 20 JBGD Cc1ncccc1CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1832637014 CEPLVIQPMNCCBQ-DEOSSOPVSA-N 467.331 -0.227 50 20 JBGD CN1CCC(C(=O)NC2CCN(C3CCN(C(=O)c4cccc(B(O)O)c4)CC3)CC2)CC1 1833103318 GRVTXAHBXJEEQB-UHFFFAOYSA-N 456.396 -0.107 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)c3ccc[n+]([O-])c3)CC2)CC1)c1ccc(B(O)O)cc1 1834797428 KKRKCYJEWIOERJ-UHFFFAOYSA-N 452.320 -0.501 50 20 JBGD Cc1nnc(CC(=O)N2CCC(N3CCC(NC(=O)c4ccc(B(O)O)cc4)CC3)CC2)o1 1834798094 ZKBXYRFMBDPXBB-UHFFFAOYSA-N 455.324 -0.514 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)c3ccnnc3O)CC2)CC1)c1ccc(B(O)O)cc1 1834798403 QTDTYUVCKHKVGX-UHFFFAOYSA-N 453.308 -0.639 50 20 JBGD O=C(COC1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835926237 IWOXIIYNPQYEMI-HSZRJFAPSA-N 460.336 -0.214 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)c3cc4cn[nH]c4cn3)C2)C1 1835930501 KAIZYECRIKMLJA-JOCHJYFZSA-N 465.275 -0.979 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)c3cccc4ccnn34)C2)C1 1835932113 OCUXWWSBNRTOHS-QHCPKHFHSA-N 464.287 -0.602 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)C3Cc4ccccc4C3)C2)C1 1835934425 SAFOMHUFVHUVFL-VWLOTQADSA-N 464.327 -0.149 50 20 JBGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3n[nH]c4c3CS(=O)(=O)C4)CCO2)C1 1836259895 OWKPAVZDMKQIDS-SCLBCKFNSA-N 476.939 -0.838 50 20 JBGD CC(C)[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837456845 QYPNXLKZWKRQBG-JXFKEZNVSA-N 451.549 -0.291 50 20 JBGD CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837457511 HFXFNFGBBQMTKI-QFIPXVFZSA-N 473.534 -0.963 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3snnc3C3CC3)C2)C1 1837457753 PNKGYDVKNHKPIC-OAQYLSRUSA-N 487.542 -0.202 50 20 JBGD CC(=O)O[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1)C(C)C 1837459392 OBXSJVUPKOKNBH-AVRDEDQJSA-N 477.518 -0.657 50 20 JBGD C[C@](Cl)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1839151898 HXRJIASPHWAACI-RBUKOAKNSA-N 459.135 -0.327 50 20 JBGD C[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1 1840035572 WGUNAEPYVHZIBB-FZKQIMNGSA-N 487.307 -0.004 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840043324 SGOFWFXCGUQNGD-NRFANRHFSA-N 475.410 -0.322 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)C2)C1 1840185718 VVVHZFGXQOFULL-OAQYLSRUSA-N 479.490 -0.257 50 20 JBGD O=C(c1ccc(N2C(=O)C=CC2=O)cc1)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1840770941 UBOJRNWXEREWIW-HTAPYJJXSA-N 477.901 -0.214 50 20 JBGD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1840880105 WNEGQUDJFQZQJB-YFPZEJLNSA-N 456.879 -0.127 50 20 JBGD COCCn1cnc2c1c(=O)n(CC(=O)NNC(=O)c1cc(C)no1)c(=O)n2Cc1ccccc1 10161655 PAWHXGSALDPYED-UHFFFAOYSA-N 481.469 -0.188 50 20 JBGD O=C(CCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)NNC(=O)[C@@H]1CCS(=O)(=O)C1 10214264 BUXNSJLTSVGVIL-SNVBAGLBSA-N 473.451 -0.164 50 20 JBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2)c1cccn2c(O)nnc12 1777957318 VGBQEHJLNUTZHN-WZONZLPQSA-N 479.302 -0.444 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CSc1nc[nH]n1)C2 1779374697 CZGYRHSGHOAQOI-FOIQADDNSA-N 474.547 -0.277 50 20 JBGD CCNC(=S)NCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cnccc1C(=O)NN)C2 1781471466 WAYPIHTYNOGZLT-IIBYNOLFSA-N 477.591 -0.703 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnn4cccnc34)C[C@@H]21 1788611025 GJOQNQYDYOGODF-KKXDTOCCSA-N 464.486 -0.365 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=O)c3cccs3)C[C@@H]21 1791288597 JZMCSPHOXACFKE-JYJNAYRXSA-N 465.576 -0.169 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(-n3cnnc3)cc1)C2)c1cccc(B(O)O)c1 1795737482 LXWMKBJRYIKPBP-RMFSNUHRSA-N 461.287 -0.536 50 20 JBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(N3C(=O)C=CC3=O)cc1)C2 1801012159 JJHZNKROVVTERF-GPVSGQMNSA-N 483.525 -0.308 50 20 JBGD O=C(O)CSCC(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1813084338 AXPBKTPMXYVUGD-OXQOHEQNSA-N 457.317 -0.101 50 20 JBGD O=C(c1ccc2nn[nH]c2c1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835932212 UGXMWDSGAMCUCX-JOCHJYFZSA-N 465.275 -0.979 50 20 JBGD C[C@@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835933723 BGKBRFHNTIMYQS-IFXJQAMLSA-N 469.141 -0.533 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1)c1cc(CO)on1 1836188714 QABOLDIKVKUVDT-UHFFFAOYSA-N 456.308 -0.654 50 20 JBGD CN1CCC(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)CC1 1837456514 NREKEPYRWLTNHZ-QHCPKHFHSA-N 474.562 -0.513 50 20 JBGD C[C@@H](C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2)N1CCN(C)CC1 1839202111 VBUCOLIDMPQSIN-RLFYNMQTSA-N 465.364 -0.231 50 20 JBGD O=C(CNC(=O)C(F)(F)F)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839202662 MHZCZSYZFQVEKU-GXFFZTMASA-N 464.210 -0.188 50 20 JBGD Cc1ccc(C(=O)NCC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)cc1 1840903919 NMUIFFSFMLZJKG-DYESRHJHSA-N 453.923 -0.219 50 20 JBGD CS(=O)(=O)Cc1ccc(C(=O)N2CC3(CCCN3C(=O)c3ccc(B(O)O)cc3)C2)cn1 1843010997 DFAKUOFHZJJZSF-UHFFFAOYSA-N 457.317 -0.563 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCCC12CN(C(=O)[C@@H](CCN)NC(=O)OC(C)(C)C)C2 1846384658 RZDWXRWVADQPDB-OAHLLOKOSA-N 454.572 -0.195 50 20 JBGD CCn1nc(C(=O)NNC(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)c2ccccc2c1=O 726710560 GHWKBKTYPXDJKW-UHFFFAOYSA-N 493.528 -0.111 50 20 JBGD O=C1CN(S(=O)(=O)c2ccc(C(=O)OCC(=O)NNC(=O)c3ccccc3)cc2)CCN1 914666226 QRFCHIFLNPPJHY-UHFFFAOYSA-N 460.468 -0.575 50 20 JBGD CN(CC(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Br)cc1 915279495 KVEKBKDMWRTROY-JTQLQIEISA-N 468.351 -0.348 50 20 JBGD CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779029561 UHGUSJZXHHRXLF-ZHRRBRCNSA-N 492.533 -0.986 50 20 JBGD CCOC(=O)N1CCC(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)CC1 1779036041 VIFCQOAJFYZNBM-HSZRJFAPSA-N 488.545 -0.003 50 20 JBGD C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1785574518 LTLHVRYEBPWBFK-YADARESESA-N 485.346 -0.274 50 20 JBGD N[C@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1)c1cccnc1 1786979948 SDPTWPJXWFYEKD-WJMWBRGCSA-N 452.320 -0.555 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4n(n3)CCCC4)C[C@@H]21)c1cccc(B(O)O)c1 1786983922 GIFSZQVKDBAKAK-LRQRDZAKSA-N 452.320 -0.194 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1nc(O)n2c1CCCC2 1788789796 UUDXIDNOZSFSCB-IEZWGBDMSA-N 468.319 -0.488 50 20 JBGD COCCOCCOCCOCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21 1789949895 QCTCFSQCCRVJMI-VJANTYMQSA-N 480.986 -0.348 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnn(-c3cccnc3)c1)C2)c1ccc(B(O)O)cc1 1795732462 HYRILSMASFBRBW-RMFSNUHRSA-N 461.287 -0.536 50 20 JBGD Cc1ccn2c(=O)c(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)c3cccc(B(O)O)c3)cnc2c1 1795739194 QQFXBUBSCJSNCI-UPHUGPLXSA-N 476.298 -0.800 50 20 JBGD CCOC(=O)N[C@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc([N+](=O)[O-])ccc1OC(C)=O)C2 1797583891 CSXNRYKKMNALFL-OESLAJAZSA-N 494.457 -0.212 50 20 JBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(C(N)=O)cc1)C2 1797754329 RHRMWIWMUNPWFO-JLVBRIDZSA-N 452.471 -0.699 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(C)nn1C)CCO2 1834160800 ZHKAPFABAILLDJ-ZHNJOBQTSA-N 471.518 -0.067 50 20 JBGD CC[C@@H](NC(C)=O)C(=O)N1CCC(N2CCC(NC(=O)c3cccc(B(O)O)c3)CC2)CC1 1834800480 HVGQYCVDSWZFGF-OAQYLSRUSA-N 458.368 -0.534 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H]3CCC(=O)N3)CCO2)C1 1835303853 DXIFFRGYCGSZLO-WIEQDCTASA-N 488.969 -0.147 50 20 JBGD N#Cc1ccc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)cc1 1835933548 BKFNORUCOUPYPQ-RUZDIDTESA-N 477.326 -0.059 50 20 JBGD CN(C)c1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)cn1 1835938013 GIADJLNPRJNKES-QHCPKHFHSA-N 468.319 -0.789 50 20 JBGD Cc1nc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)sc1C 1835938473 WCHRSDJCTYYUCN-OAQYLSRUSA-N 459.333 -0.176 50 20 JBGD Cc1cnn([C@@H](C)C(=O)N2CCOC[C@@]3(CN(C(=O)c4cnccc4C(=O)NN)CCO3)C2)c1 1837461401 VOCUUTSHLSEKMI-AOMKIAJQSA-N 471.518 -0.479 50 20 JBGD C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1)N1CSCSC1 1837570212 GZODKPBKDUTCQM-IERDGZPVSA-N 495.432 -0.521 50 20 JBGD C[C@@H](Cc1ccncc1)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1839657945 NLVHGKYMZJVUBJ-MHECFPHRSA-N 467.331 -0.290 50 20 JBGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)CCO2)C1 1839718985 XRAZEWKHCBUQAL-IFXJQAMLSA-N 472.882 -0.533 50 20 JBGD C[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)CCN3CCN(C)CC3)C2)C1 1840032321 VLBMVZADZJLVJS-APWZRJJASA-N 461.401 -0.136 50 20 JBGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=O)C(F)(F)F)C2)C1 1840036714 QJYAXBACQKBTPO-HZMBPMFUSA-N 460.247 -0.095 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3c(O)cc(O)cc3O)C2)C1 1840185705 VTOPCRGNIQPZRK-OAQYLSRUSA-N 466.491 -0.754 50 20 JBGD C[Si](C)(C)OCC(=O)N1CCOC[C@]2(CN(C(=O)CNC(=O)C(F)(F)F)CCO2)C1 1840203376 YEMRESWMJBHETC-INIZCTEOSA-N 455.506 -0.027 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CC2(CCCN2C(=O)C[C@H]2NC(=O)NC2=O)C1 1841957819 DMQGXXDGLKKVNG-NEPJUHHUSA-N 457.915 -0.080 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CCCC12CN(C(=O)CN1CC(=O)NC1=O)C2 1844691855 IANSWSSDEWGILS-UHFFFAOYSA-N 459.415 -0.111 50 20 JBGD O=C(NNC(=S)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C(=O)NC1CC1 18166823 NDIIWJPZKQIEPT-UHFFFAOYSA-N 461.953 -0.043 50 20 JBGD CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 919889994 YBTCGZLYQMRHRP-OCCSQVGLSA-N 471.561 -0.199 50 20 JBGD Cc1cc2nnc(C(=O)N3CC[C@]4(CN(C(=O)c5cnccc5C(=O)NN)CCO4)C3)c(C)n2n1 1777782082 GMPGEVIZKXQYBO-JOCHJYFZSA-N 479.501 -0.503 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(C1)CN(C(=O)c1cnn3ccncc13)CCO2 1779032538 RYKNQICLMQEYRK-NRFANRHFSA-N 450.459 -0.515 50 20 JBGD Cn1c(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cnccc3C(=O)NN)C2)cccc1=O 1779371201 QFEHESWCDHLBLL-WZONZLPQSA-N 468.514 -0.175 50 20 JBGD C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1)N1CSCSC1 1795740353 WXCMBPYTUCQOCF-NYCLONFESA-N 465.406 -0.387 50 20 JBGD CN(CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)nc(O)n1)NC(=O)NCc1ccccc1 1796357476 LAVDNZOZUJZBEC-CWPLJXCYSA-N 499.528 -0.563 50 20 JBGD CCc1[nH]nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)c1F 1833738210 YZDDLQAZCGCZTA-OAQYLSRUSA-N 475.481 -0.507 50 20 JBGD O=C(COc1ccccc1)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1834950854 IPDVVYQAECJEBB-HSZRJFAPSA-N 454.288 -0.485 50 20 JBGD COc1ncc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)cc1C 1835929191 GKERUVXCGVKYKS-HSZRJFAPSA-N 469.303 -0.538 50 20 JBGD O=C(Cn1cnc2ccccc21)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835932252 WMVDCOOJLUAPDZ-DEOSSOPVSA-N 478.314 -0.514 50 20 JBGD CC(=O)Nc1cccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)c1 1835941782 PJHJDUMCZSZLMA-DEOSSOPVSA-N 481.314 -0.291 50 20 JBGD COc1cc(C(=O)NC2CCN(C3CCN(C(=O)c4cnccc4C(=O)NN)CC3)CC2)nn1C 1836202742 SVYZLOAUKDTPQR-UHFFFAOYSA-N 484.561 -0.074 50 20 JBGD C[C@@H](Br)C(=O)N1CCC(N2CCC(NC(=O)CN(CCO)CCO)CC2)CC1 1836535723 AUPWBAZOYIXKNR-OAHLLOKOSA-N 463.417 -0.372 50 20 JBGD CCOC(=O)N[C@@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCBr)C2)C1 1837205323 WHPWXGBMNXVFES-XJKSGUPXSA-N 452.302 -0.708 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccncc1Cl)CCO2 1837885319 XJCXPBUKHHZUEY-OAQYLSRUSA-N 459.695 -0.201 50 20 JBGD CN1CCN(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@](C)(Cl)CCl)CCO3)CC1 1839152864 MTVNSXFIWIDEFO-RBUKOAKNSA-N 451.395 -0.074 50 20 JBGD COCCOCCOCCOCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1 1840082368 QBXOUDFEMZOPLK-PKOBYXMFSA-N 470.922 -0.327 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCCCC3=O)CCO2)C1 1840105005 POQOFMLIRVYJMA-QADUPLGGSA-N 488.545 -0.411 50 20 JBGD Cc1nccn1CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCC(=O)NN(C)C)CCO2 1840185582 SKHCFLPMCYFJFW-QFIPXVFZSA-N 464.567 -0.199 50 20 JBGD COc1cc(N2CCC(C(=O)N3CC4(CCCN4C(=O)c4cccc(B(O)O)c4)C3)CC2)ncn1 1843013140 NMVDQPHWRNRYEX-UHFFFAOYSA-N 479.346 -0.101 50 20 JBGD C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)NNC(=O)CNC(=O)c3cccs3)CC2)C[C@@H](C)O1 725872179 BPFJOQREJLTVSG-ZIAGYGMSSA-N 488.592 -0.810 50 20 JBGD O=C(CNC(=O)c1ccco1)NNC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 751212619 VBXNTBCXBMURCB-UHFFFAOYSA-N 454.436 -0.369 50 20 JBGD O=C(COC(=O)CCn1nnc2ccccc2c1=O)NNC(=O)[C@@H]1COc2ccccc2O1 753841729 DFGLHMSJWVETAC-KRWDZBQOSA-N 453.411 -0.288 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CCCS3(=O)=O)C2)C1 1782956263 JBHJNXBHMBBYLO-GLCFDMNSSA-N 465.532 -0.473 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N1CC[C@@]2(CN(C(=O)[C@H](O)CCl)CCO2)C1 1785607574 QGQBIMFCTYKPLP-QUJCMNEKSA-N 462.931 -0.815 50 20 JBGD O=C1Cc2cccc(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)c5cccc(B(O)O)c5)C[C@@H]43)c2N1 1790446264 QYFFXWMTZHATPI-VDGAXYAQSA-N 463.299 -0.232 50 20 JBGD COC(=O)[C@H]1CC=CC[C@@H]1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1791233621 CUALHZWYGPNIOU-MQBSTWLZSA-N 470.331 -0.285 50 20 JBGD O=C(/C=C/c1ccc([N+](=O)[O-])o1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1793108139 VUONSIYBIKQJGX-HFTYUIQFSA-N 455.232 -0.216 50 20 JBGD CC[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(=O)n2[nH]nnc2n1 1796110552 DWDYGHITZYFEMY-BSTOTGJRSA-N 454.285 -0.811 50 20 JBGD CN1CCN(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](CCl)NC(=O)OC(C)(C)C)C3)CC1 1797235193 PAKVLFQSLKCBJF-ZMMAXQRCSA-N 488.029 -0.045 50 20 JBGD Cc1cn2c(=O)c(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)c3cnccc3C(=O)NN)cnc2s1 1797750787 PYWORGFGPCNERA-FVCICTRLSA-N 497.537 -0.420 50 20 JBGD CN(C)C(=O)NCC(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807360260 PVIJDCWICAYKRP-FXAWDEMLSA-N 453.308 -0.648 50 20 JBGD O=C(/C=C\C(=O)NC1CC1)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1819526015 IDBYWLKNBBIZAY-KVPUOBJLSA-N 454.317 -0.117 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(O)n3)CCO2)C1 1834193266 XWNLQPXUUOZAKE-OAQYLSRUSA-N 456.459 -0.831 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1nccn1C)CCO2 1834397819 PQHMRUFQICRNMK-MNQDVBFDSA-N 457.491 -0.376 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(CN(C(=O)CCNC(C)C)CCO2)C1 1835883015 UGADDYBEFNQIST-YALBQKEFSA-N 462.551 -0.035 50 20 JBGD COc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)nc1 1835937086 NXTKGPVHURHZBG-JOCHJYFZSA-N 455.276 -0.846 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)c3cccc(F)c3[N+](=O)[O-])C2)C1 1835939236 IMNAFJKTNZRPRM-QFIPXVFZSA-N 487.249 -0.203 50 20 JBGD C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1)n1cccc1 1837461593 ZBWJFCOAGHBCLD-ZHRRBRCNSA-N 456.503 -0.182 50 20 JBGD CCc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)no1 1838126608 VNNGLTJUHPEIQA-OAQYLSRUSA-N 458.475 -0.381 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1[nH]cnc1-c1cccnc1)CCO2 1838496020 QXIWDCGHISPERV-XMMPIXPASA-N 491.313 -0.465 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](CN)c3ccccc3)C2)C1 1840184216 XBTMLJNGUPENLQ-WMZHIEFXSA-N 461.563 -0.442 50 20 JBGD Cn1nc(Br)c2c(=O)n(CC(=O)OCC(=O)NNC(=O)c3cccs3)cnc21 727224150 WWTVVMCQRLIXBX-UHFFFAOYSA-N 469.277 -0.042 50 20 JBGD CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)c2)CC1 913155945 IRARFJIWANRCHM-UHFFFAOYSA-N 498.525 -0.410 50 20 JBGD Cn1ncc(Br)c1C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779029902 BDRDPIWOQXCXAK-LJQANCHMSA-N 492.334 -0.062 50 20 JBGD O=C(COc1cc(Cl)ccn1)N1CC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1779229086 LYLYPTBKIJFYIG-NRFANRHFSA-N 459.695 -0.063 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CCNC(=O)c3ccc[nH]3)C[C@@H]21)c1ccc(B(O)O)cc1 1786980075 GGKYGZZGHWSRPO-QRFRQXIXSA-N 468.319 -0.892 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc4snnc4c3)C[C@@H]21)c1cccc(B(O)O)c1 1786984858 RJPWTQZPNPWHMZ-OWQGQXMQSA-N 467.316 -0.327 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1ccc3c(c1)OCO3)C2)c1ccc(B(O)O)cc1 1795734830 WDJFFXPZQXPHRI-FEJSZKPUSA-N 466.299 -0.069 50 20 JBGD CC(C)n1nc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)cc1C(=O)O 1801009642 XAYHLUVPTKGXRA-HBCWATKFSA-N 464.523 -0.262 50 20 JBGD CCS(=O)(=O)CC(=O)NC[C@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1 1803518642 SAYUXUWDZLCGTE-UZLBHIALSA-N 453.565 -0.105 50 20 JBGD NNC(=O)c1ccncc1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)Cn1ccncc1=O)CC2 1819800097 LRGXYAPQGPQUBS-LLVKDONJSA-N 468.499 -0.376 50 20 JBGD O=C(Cn1cccc([N+](=O)[O-])c1=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cccc(B(O)O)c1)CC2 1824719479 VJZOMRSBRBKTQL-CQSZACIVSA-N 497.298 -0.181 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCC([C@@H]2CCCCN2C(=O)c2cc(=O)n3[nH]cnc3n2)CC1 1827047338 MILCEIFMAPVVJV-IBGZPJMESA-N 478.318 -0.356 50 20 JBGD O=C1NC(=O)[C@H](CC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(B(O)O)c3)CC2)N1 1827056194 QCJOIFRZDSLVMZ-ROUUACIJSA-N 456.308 -0.802 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CNCP(=O)(O)O)CC1 1828925804 SNLRMQVJXSPVQB-QGZVFWFLSA-N 482.478 -0.357 50 20 JBGD COc1ccc([C@@H](O)C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)cc1 1830213430 HXCINQGJLPWPER-QPPBQGQZSA-N 484.314 -0.821 50 20 JBGD CC(=O)N1CCN(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)CCl)CCO3)CC1 1830362010 IFXRDDWJMJWWKC-OAQYLSRUSA-N 458.987 -0.128 50 20 JBGD C[C@@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nccnc3C(N)=O)C2)C1 1830543445 SJOOXAUAZVPCQM-KPZWWZAWSA-N 470.324 -0.324 50 20 JBGD Cn1ccc2c(O)ncc(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)[C@@H](O)CCl)CCO4)c21 1830732137 SELAGJCHJFGTGB-MGPUTAFESA-N 452.895 -0.051 50 20 JBGD O=C(CCc1ccccn1)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1833185136 PXFUCWRGRLNYCO-QHCPKHFHSA-N 453.304 -0.536 50 20 JBGD O=C(COCc1ccccc1)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835935731 OLMLAYVKXNIEEU-DEOSSOPVSA-N 468.315 -0.347 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)c3cc(N4CCCC4)ccn3)C2)C1 1835936903 IXGXVBPNWUNRSR-VWLOTQADSA-N 494.357 -0.255 50 20 JBGD O=C(CCCn1cccc1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835940116 UTZUCOOTPZMHIE-HSZRJFAPSA-N 455.320 -0.282 50 20 JBGD COc1ccc(C(=O)NC2CCN(C3CCN(C(=O)c4cnccc4C(=O)NN)CC3)CC2)nn1 1836057681 QTYZIICXWAFHES-UHFFFAOYSA-N 482.545 -0.017 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)Nc1cnccn1)CCO2 1837480446 QGQIFMXMPJBFIQ-LFMMLXGASA-N 498.544 -0.133 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1n[nH]cc1[N+](=O)[O-])CCO2 1837796295 XGVMKJYTGRMRJR-VMHRPQTGSA-N 488.461 -0.478 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(Cl)nn1)CCO2 1837834442 RLQAXQMLJSXRTM-FQEVSTJZSA-N 460.683 -0.806 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1c(F)cncc1F)CCO2 1838168867 JOGJWKHWOPMGES-HXUWFJFHSA-N 455.462 -0.197 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC[C@@H]4CCC(=O)N4C3)C2)C1 1840184957 GMKXDGNPWHAMHY-YZZKKUAISA-N 479.578 -0.783 50 20 JBGD Cc1ccc(C(=O)NCC(=O)N2CCO[C@@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)cc1 1840906197 YFLNXVVDIZLWQF-XMMPIXPASA-N 489.573 -0.446 50 20 JBGD Cc1cc(NC(=O)CC(=O)N2CCO[C@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)no1 1779030796 XIXOKECHSOVINR-OAQYLSRUSA-N 471.474 -0.546 50 20 JBGD CN(CC(=O)N1CCO[C@]2(CCN(C(=O)c3cnc(O)[nH]3)C2)C1)NC(=O)NCc1ccccc1 1779645809 WURQNRNJLHZGNM-JOCHJYFZSA-N 471.518 -0.095 50 20 JBGD CN(CC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccnnc1O)CCO2)NC(=O)NCc1ccccc1 1780968760 PLXNVWVPDIIJCI-QHCPKHFHSA-N 483.529 -0.028 50 20 JBGD COC(=O)[C@@H]1CCC[C@@H](C(=O)N2CC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)C1 1783860883 WMRZFASWDQWUHS-UQNRQAKVSA-N 458.320 -0.211 50 20 JBGD CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21 1789935883 UBOWKICDQKOGSI-QXKUPLGCSA-N 463.959 -0.159 50 20 JBGD Cn1c(=O)c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)nc2ccccc21 1795734147 GFPKYHJIBSPWNI-CWPLJXCYSA-N 476.298 -0.870 50 20 JBGD CC(=O)N1CCN(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](C)CBr)C3)CC1 1797303224 SEVQYMUKRJXWSR-SCNOPHJPSA-N 459.385 -0.229 50 20 JBGD CC(=O)OC[C@H](OC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](F)Br 1799350119 QRVUMISPDVMNBH-ZUWCUPBKSA-N 453.261 -0.239 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCCCC1=O 1800892486 PIJNXRQWYKUMIL-OYSOCFBGSA-N 458.519 -0.278 50 20 JBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(-n3ccnc3)ccn1)C2 1801011885 PIPPNUKXOGMXFQ-VPTLXERWSA-N 455.519 -0.157 50 20 JBGD O=C(CN1CCCC1=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1806921980 YLMYOUDNCWKIHO-PGRDOPGGSA-N 450.304 -0.297 50 20 JBGD CNC(=S)NCCC(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807362304 VFIIRAGTZYHJCE-XLIONFOSSA-N 469.376 -0.435 50 20 JBGD C[C@H](C(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1)[C@H]1SC(=N)NC1=O 1808397088 ZBBWPXJSYWPYNO-ZAUBIYILSA-N 495.370 -0.117 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2nccnc2C(N)=O)n[nH]1 1820024074 WLSJJTPYDQRTPH-AWEZNQCLSA-N 478.473 -0.083 50 20 JBGD Cc1ccn2c(=O)c(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)[C@H](O)CCl)CCO4)cnc2c1 1830728016 NDAAGZMEIZRLKC-IIBYNOLFSA-N 464.906 -0.327 50 20 JBGD CCNC(=O)N[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1835709885 TYRBXUUJQKYDEU-MRXNPFEDSA-N 473.383 -0.741 50 20 JBGD COC[C@@H](NC(C)=O)C(=O)NC1CCN(C2CCN(C(=O)c3cnccc3C(=O)NN)CC2)CC1 1835844351 DDRREBLASMZHDI-HXUWFJFHSA-N 489.577 -0.979 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)C3(c4ccc(O)cc4)CC3)C2)C1 1835934349 XDSSZOAJDHBLAP-DEOSSOPVSA-N 480.326 -0.126 50 20 JBGD O=C(Cc1ccc(F)cc1F)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835939842 KPRQRZBPNXLACA-QHCPKHFHSA-N 474.269 -0.043 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1)c1ccc(O)nc1 1836142721 MOJCENAYPAPOJB-UHFFFAOYSA-N 452.320 -0.034 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc4[nH]ncc4c3)C2)C1 1837459634 UGQNWDNMHGDNLS-QFIPXVFZSA-N 480.485 -0.660 50 20 JBGD Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)cc2c[nH]nc12 1839510806 OGJQFGLHOYXLSJ-DEOSSOPVSA-N 478.314 -0.065 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)c1n[nH]c3cccc(F)c13)CCO2 1839598594 SHLLNCZXNJBBDK-HSZRJFAPSA-N 482.277 -0.234 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(CN(C(=O)c3cncc(O)c3)CCO2)C1 1840062485 VTJXHWWOQVQODT-NRFANRHFSA-N 456.459 -0.831 50 20 JBGD CC(=O)N1CCC(N2CCC(C(=O)N3CCCC34CN(C(=O)c3ccc(B(O)O)cc3)C4)CC2)CC1 1843951959 HRGVNNWXGFEVBA-UHFFFAOYSA-N 496.417 -0.094 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1CCc2nc(O)nc(O)c2C1 1848213465 CVHQWJDDHHXUAL-BVGQSLNGSA-N 452.276 -0.812 50 20 JBGD C[C@@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2)[C@H]1SC(=N)NC1=O 1778081648 PUMJJKKMRCQNTB-QAXVFBSWSA-N 488.375 -0.704 50 20 JBGD COC(=O)c1ccc(OCC(=O)N2CCO[C@@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)cc1 1779035174 AIZCVXREWHKRDL-DEOSSOPVSA-N 497.508 -0.006 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@]2(CN(C(=O)C3=NNC(=O)C3)CCO2)C1 1780097933 SJIHCVBQNOEXMT-HXUWFJFHSA-N 459.415 -0.161 50 20 JBGD CN(CC(=O)N1CC[C@@]2(C1)CN(C(=O)C1=NN(C)C(=O)CC1)CCO2)NC(=O)NCc1ccccc1 1780970450 YGCDFSWFIPTCQA-XMMPIXPASA-N 499.572 -0.229 50 20 JBGD CCOC(=O)N1CCC(C(=O)N2CC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)CC1 1785373227 NHOSORNBXYAARK-HSZRJFAPSA-N 473.335 -0.322 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(O)nn3)C[C@@H]21 1787509004 WOZBODMPNUHHGE-JHUKZBBPSA-N 455.475 -0.091 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nc(O)n4c3CCCC4)[C@H]2C1 1788793542 CCAVBRFPJNPODE-ZOBUZTSGSA-N 462.551 -0.109 50 20 JBGD CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](O)CCl)C[C@@H]32)C1 1789809188 YHWVHYCSUCGWKA-WBAHDQRJSA-N 475.970 -0.206 50 20 JBGD COC(=O)N[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1ccccc1 1792799982 PHQXENQOQQSLGM-KOUHRCEDSA-N 481.314 -0.333 50 20 JBGD CC(C)(C)OC(=O)N1CC(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)C1 1795740814 HUJHNTJFJBLQMY-RMFSNUHRSA-N 487.362 -0.173 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@@](C)(O)CC(=O)O)C2 1796445599 FNBBLHNTHONXSP-WDEWNGFBSA-N 463.491 -0.674 50 20 JBGD COC(=O)c1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)cn1 1796562996 AQCYCSUJRQNGNR-HGKCTWBKSA-N 453.260 -0.935 50 20 JBGD CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc(B(O)O)c2)C3)C1 1799982310 VVZCFZFUDYBCHR-IVDHNXQLSA-N 487.362 -0.154 50 20 JBGD CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807373217 PIQSWSJHNXDGRX-SLYNCCJLSA-N 498.345 -0.076 50 20 JBGD CC(C)CNC(=O)C(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807373842 CPCDAHOIVJFRIY-AZUAARDMSA-N 452.320 -0.147 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCCC2(CCN(C(=O)c3cc(=O)nc4cccnn34)CC2)C1 1809971025 KHWPNRZBTBYFJC-UHFFFAOYSA-N 475.314 -0.072 50 20 JBGD CCNC(=S)NCC(=O)NC[C@@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1812331932 XGJUOKJCXURURU-KXBFYZLASA-N 484.586 -0.116 50 20 JBGD O=C(Cc1cccnc1Cl)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1832717327 WZBRLDTYNPIANN-JOCHJYFZSA-N 473.722 -0.273 50 20 JBGD C=CC(=O)N[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1 1835830699 FUXLFGXEGXBXGY-INIZCTEOSA-N 450.584 -0.378 50 20 JBGD O=C(Cc1cc(F)cc(F)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835928389 NQRVZCKZSQIKFT-HSZRJFAPSA-N 474.269 -0.043 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)C(Cl)(Cl)Cl)C2)C1 1835931999 KGFSXQMZIHRNSG-MRXNPFEDSA-N 465.526 -0.193 50 20 JBGD CC[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835932165 QZRFGRMIEZFVFJ-VQIMIIECSA-N 469.141 -0.390 50 20 JBGD COC(=O)[C@@H]1CCC[C@H](C(=O)N2CCOC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)C1 1835939844 KQTLTYMVRXVBNW-RGZWJVDOSA-N 488.346 -0.584 50 20 JBGD CC(=O)N1CCN(CC(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)CCl)C3)C2)CC1 1836762604 VCKFEOQUPFESFZ-OAQYLSRUSA-N 458.987 -0.128 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ccco3)C2)C1 1837456062 BLLBCLQEFZLSKW-QFIPXVFZSA-N 457.487 -0.019 50 20 JBGD N#Cc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)cc1 1837460096 UIWRHAAIAFHNJI-QHCPKHFHSA-N 464.482 -0.059 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(N)=O)C2)C1 1838528155 IOPGEOCLDXGZLM-HXUWFJFHSA-N 479.446 -0.742 50 20 JBGD COC[C@H](NC(C)=O)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839200904 RXRBFCYTMIQTDI-XEZPLFJOSA-N 454.293 -0.716 50 20 JBGD C[C@@H](O)[C@H](NC(=O)c1ccccc1)C(=O)N1CCCC12CN(C(=O)c1cccc(B(O)O)c1)C2 1841223760 VNGDEVDSWQRULC-UZLBHIALSA-N 465.315 -0.637 50 20 JBGD C[C@H](CN)C(=O)N1CC2(CCCN2C(=O)[C@H](Cc2ccc(B(O)O)cc2)NC(=O)OC(C)(C)C)C1 1843428811 RRHDMBFFWIGIFL-APWZRJJASA-N 488.394 -0.400 50 20 JBGD CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N2CCCC23CN(C(=O)c2cccc(B(O)O)c2)C3)C1 1846411288 QGXAQHCJBMJMTE-HSZRJFAPSA-N 473.335 -0.445 50 20 JBGD Cn1nc(C(=O)NNC(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)c2ccccc2c1=O 14888146 LVYJPQXOGJTSQP-UHFFFAOYSA-N 460.450 -0.234 50 20 JBGD O=C(COC(=O)CCCS(=O)(=O)N1CCCC1)NNC(=O)[C@@H]1COc2ccccc2O1 728330827 SSZXEVWJGUEUMG-INIZCTEOSA-N 455.489 -0.277 50 20 JBGD CCNC(=O)NNC(=O)[C@@H](CCSC)NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 920858801 DOBMSFYHJKCVQN-MRXNPFEDSA-N 487.604 -0.091 50 20 JBGD C[C@H](Oc1cccnc1)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779034773 UULJGXZYRHGRRA-OYHNWAKOSA-N 454.487 -0.009 50 20 JBGD C=CC(=O)N[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnccc2C(=O)NN)C1 1779372424 IAOIVTQJWPQWNZ-WTBBCNCBSA-N 458.519 -0.497 50 20 JBGD CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C(=O)N2CC[C@]3(CN(C(=O)[C@H](O)CCl)CCO3)C2)C1 1781110965 GBWBLZCGESWNSU-GXNBUGAJSA-N 461.943 -0.356 50 20 JBGD CN(CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NNC(=O)C3)C[C@@H]21)NC(=O)NCc1ccccc1 1789726677 MJDZGDXVCIWQDF-LNLFQRSKSA-N 485.545 -0.812 50 20 JBGD CC(C)(C)OC(=O)N1CC(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)C1 1795737048 XVFKYFQGNXZGBC-RMFSNUHRSA-N 487.362 -0.173 50 20 JBGD CN(CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CNC(=O)C1)C2)NC(=O)NCc1ccccc1 1799097260 LNYSXKVMPPTRKG-UGNRZPKXSA-N 472.546 -0.942 50 20 JBGD CC(=O)Nc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)cc1O 1799846199 DAMABMRTYFCKNR-UPHUGPLXSA-N 467.287 -0.453 50 20 JBGD CC(C)(C)OC(=O)N1CC[C@@H]2C[C@@]21C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1800772675 NMNBISHDRLBOSX-SDMFYXEBSA-N 499.373 -0.031 50 20 JBGD COc1ccc(F)cc1CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1801098108 ASWPRHJSMRJKSN-FAQVEIGNSA-N 456.279 -0.040 50 20 JBGD CCS(=O)(=O)N[C@H](C)C(=O)N1CCCC2(CCN(C(=O)c3ccc(B(O)O)cc3)CC2)C1 1805957280 HZQSLPYAOYAYSS-MRXNPFEDSA-N 465.381 -0.461 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCC2(CCCN(C(=O)CN3CC(=O)NC3=O)C2)CC1 1806691013 APUVEUFFBPDVNF-MFKUBSTISA-N 471.518 -0.097 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1CCN(C(=O)[C@@H](O)N2CCOCC2)[C@@H]1c1cccnc1 1810302424 IXBSUZXUJMWSAN-DKZVUGQWSA-N 483.529 -0.950 50 20 JBGD O=C([C@H](O)CCl)N1CC[C@]2(C1)CN(C(=O)[C@@H]1C[C@H](O)CN1)CCN2C(=O)OCc1ccccc1 1829202213 CJNGPZQGFGTCQY-XWQURZDVSA-N 494.976 -0.239 50 20 JBGD COc1ccc(OCC(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)cc1 1830235078 DIIRBVKXTWKDOE-XMMPIXPASA-N 484.314 -0.476 50 20 JBGD C[C@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)nc(O)n3)C2)C1 1830538546 IVXHWMWRFPDPBP-PIGZYNQJSA-N 459.297 -0.011 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1COc3ccccc3O1)CCO2 1832497835 RKBVFTZYSDOIJE-YKSBVNFPSA-N 497.508 -0.405 50 20 JBGD CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](O)CCl)CC2)CC1 1833312968 NYNHXQYOGPALEY-MOPGFXCFSA-N 468.986 -0.372 50 20 JBGD CCc1[nH]nc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)c1F 1833736074 ZISOCSZGMIUNDS-NRFANRHFSA-N 460.271 -0.825 50 20 JBGD CN1N=C(C(=O)N2CCC(N3CCC(NC(=O)c4cccc(B(O)O)c4)CC3)CC2)CCC1=O 1834800120 WUUQNBLJBDLYAA-UHFFFAOYSA-N 469.351 -0.840 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)c3ccc4ncnn4c3)CC2)CC1)c1cccc(B(O)O)c1 1834800948 BXMZLLQMBACNIH-UHFFFAOYSA-N 476.346 -0.092 50 20 JBGD Cc1cc(C(=O)NCC(=O)N2CCC(N3CCC(NC(=O)c4cccc(B(O)O)c4)CC3)CC2)no1 1834801098 LGPXPVPKGGPPII-UHFFFAOYSA-N 497.361 -0.722 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)c3cc(C4CC4)on3)C2)C1 1835934019 KGFONYSSXIFTSB-JOCHJYFZSA-N 455.276 -0.384 50 20 JBGD Cc1nc2ccccn2c1C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835937143 QHCXLOLKWQNVFN-DEOSSOPVSA-N 478.314 -0.294 50 20 JBGD CC(C)n1cnc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)n1 1837457966 YYCMYGVHSXPRNV-NRFANRHFSA-N 472.506 -0.759 50 20 JBGD C[C@@H](Nc1ccccn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1837743630 PJNAKOIOQYEJTE-MWTRTKDXSA-N 483.529 -0.349 50 20 JBGD CCOC(CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1)OCC 1840281757 MCCWYBDVEPMMFB-QFIPXVFZSA-N 479.534 -0.456 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N1CC2(CCCN2C(=O)c2cnccc2C(=O)NN)C1 1844265448 DFIASSPGGMIGPU-HNNXBMFYSA-N 489.533 -0.729 50 20 JBGD CC(C)NC(=O)C(=O)NNC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1 744446563 CZASJIWTZWBDKH-UHFFFAOYSA-N 481.575 -0.017 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)CCc3ccc(O)nn3)CCO2)C1 1779037077 MMYOYJISJRLCCT-OAQYLSRUSA-N 455.475 -0.743 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCSCC3)[C@H]2C1 1783498076 UAAXEGCZYPBQHE-WBAXXEDZSA-N 462.576 -0.673 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(=N)N)[C@H]2C1 1786807546 DXSUNOBYERWPPI-NUTKFTJISA-N 462.463 -0.404 50 20 JBGD C[C@H]1Oc2ccc(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)c5ccc(B(O)O)cc5)C[C@@H]43)cc2NC1=O 1789260719 VONDFRMARVSVRL-YZHKUDHRSA-N 493.325 -0.007 50 20 JBGD COC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1 1791291257 PYBSNIUJDOIFEP-XSLAGTTESA-N 499.609 -0.121 50 20 JBGD C[C@H](Br)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 1794251073 GEONELNFMYRNQT-RVMXOQNASA-N 481.351 -0.145 50 20 JBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O 1799196599 LHCLOPMRQWSYEJ-QRXRQMIZSA-N 497.593 -0.823 50 20 JBGD O=C(Cn1ccncc1=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1812342211 VOZTWRNUTQLWSW-GCJKJVERSA-N 461.287 -0.662 50 20 JBGD CS(=O)(=O)CC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cnccc2C(=O)NN)CC1 1826626072 BTHOWNXZTGBOOD-KRWDZBQOSA-N 451.549 -0.037 50 20 JBGD CS(=O)(=O)c1ccc(F)c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)c1 1830735697 LXLMJSDFJUSTLQ-LPHOPBHVSA-N 478.926 -0.101 50 20 JBGD Cc1nc(CC(=O)NC2CCN(C3CCN(C(=O)c4cnccc4C(=O)NN)CC3)CC2)no1 1833809753 PWPDLQDEGRCALB-UHFFFAOYSA-N 470.534 -0.196 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCC(=O)N1)CCO2 1835124999 UDRSDCYQQLDAIX-JTSKRJEESA-N 490.469 -0.131 50 20 JBGD CC(=O)NC(C)(C)C(=O)N1CCC(N2CCC(NC(=O)c3cnccc3C(=O)NN)CC2)CC1 1835734904 WONQRRFLYRHVSJ-UHFFFAOYSA-N 473.578 -0.215 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)c3cc(Cl)cnc3O)C2)C1 1835934143 MKXWGGWLMQXDEL-OAQYLSRUSA-N 475.694 -0.496 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)c3cc4cnccc4[nH]3)C2)C1 1835937190 RPQHTVSKHGMCKR-QHCPKHFHSA-N 464.287 -0.374 50 20 JBGD C[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3nccnc3C(N)=O)CCO2)C1 1838330908 NHSVHCZJDNTRPM-APPDUMDISA-N 456.297 -0.571 50 20 JBGD Cc1ccc(C(=O)C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)cc1 1840098769 YWISMSBVMDONQR-DEOSSOPVSA-N 466.299 -0.372 50 20 JBGD COc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)ccc1[N+](=O)[O-] 1840757987 KNKGXPPORRGZCB-HSZRJFAPSA-N 499.285 -0.333 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CCCC12CN(C(=O)CN1CC(=O)NC1=O)C2 1841924172 DFXLTUJSKARTSN-LBPRGKRZSA-N 457.915 -0.126 50 20 JBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1ccc(S(=O)(=O)NCc2cccs2)cc1 729276902 NWRDINPZXKVYNR-LLVKDONJSA-N 460.559 -0.075 50 20 JBGD CN(CC(=O)N1CC[C@]2(C1)CN(C(=O)c1ncnn1C)CCO2)NC(=O)NCc1ccccc1 1780969590 IGUULKUQWBNNAX-QFIPXVFZSA-N 470.534 -0.395 50 20 JBGD CN(CC(=O)N1CCO[C@@]2(CCN(C(=O)CN3C(=O)C=CC3=O)C2)C1)NC(=O)NCc1ccccc1 1784119343 XADFPHXZOHDCPH-XMMPIXPASA-N 498.540 -0.913 50 20 JBGD CC(=O)N[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)C(C)(C)C 1784313810 FGSADZCLTWLXNW-FRYIKTPZSA-N 459.352 -0.490 50 20 JBGD COC(=O)c1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)cn1 1786983658 ZUGMLHUCUMFMMI-QRFRQXIXSA-N 467.287 -0.545 50 20 JBGD CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)CCl 1792982745 MRSIRKMQQHBFJG-YUDUXTHKSA-N 461.943 -0.454 50 20 JBGD CN(CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2)C(=O)c1ccccc1 1793231160 LOLSVNZIOOGSKK-UPHUGPLXSA-N 480.525 -0.340 50 20 JBGD O=C(O)c1cnncc1C(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1810795990 BXEYQUNXCDCVAQ-UZLBHIALSA-N 475.270 -0.117 50 20 JBGD NC(=O)c1ncccc1C(=O)N[C@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815336893 HTQZKLZKHXFEGW-ZDUSSCGKSA-N 465.300 -0.144 50 20 JBGD CCS(=O)(=O)N[C@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815350365 SHAQYGUJWJXXGC-BXUZGUMPSA-N 480.377 -0.624 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CN1CC(=O)NC1=O)CC2 1817277082 HTVLTPVVSJTYOX-YBGGJHSQSA-N 486.514 -0.259 50 20 JBGD NNC(=O)c1ccncc1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CN1CCOC1=O)CC2 1819793784 SQWIAINQCUNZFQ-JTQLQIEISA-N 459.488 -0.180 50 20 JBGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1826085390 QEQFPSROQKUVBR-CQSZACIVSA-N 459.337 -0.578 50 20 JBGD CC(=O)OC[C@@H](OC(C)=O)C(=O)N[C@H]1CCc2nc(NC(=O)CCC(=O)NN(C)C)sc2C1 1826088021 NSRKCPMPNWRNFJ-DZGCQCFKSA-N 483.547 -0.077 50 20 JBGD CCOc1ncccc1C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1829545076 HVDNBEAWQULSEG-JOCHJYFZSA-N 463.535 -0.077 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)CN2C(=O)CNC2=O)CC1 1831871181 OUQHHAFEULCIPC-MRXNPFEDSA-N 450.540 -0.469 50 20 JBGD O=C(Cc1ccc2c(c1)OCO2)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1835168728 AMVJFCMNMITAPH-XMMPIXPASA-N 482.298 -0.592 50 20 JBGD Cc1n[nH]c(C)c1CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835931675 WYMAGVRVYALVCO-QFIPXVFZSA-N 456.308 -0.981 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccn(C(F)F)c1=O)CCO2 1837772122 MDGZGSHUCGFNPZ-NRFANRHFSA-N 485.488 -0.314 50 20 JBGD CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](F)Br)CCO2)C1 1839203671 RQBDIUSNABSNNO-IIDMSEBBSA-N 490.330 -0.396 50 20 JBGD Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)nc2nccn12 1839548572 HMCLKSHXUHNAGH-QHCPKHFHSA-N 479.302 -0.899 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(CN(C(=O)C[C@](C)(O)CC(=O)O)CCO2)C1 1840179254 ILQLDJQAJZWUFT-PFVGNDRKSA-N 493.517 -0.807 50 20 JBGD CCOC(=O)N[C@H](O)C(=O)N1CCCC12CN(C(=O)CN(C)NC(=O)NCc1ccccc1)C2 1844159214 PIHXOIXCWLPZTJ-GOSISDBHSA-N 476.534 -0.400 50 20 JBGD Cn1nc(SCC(=O)NNC(=S)NC2CCN(Cc3ccccc3)CC2)c(=O)n(C)c1=O 731565847 GBQWIYKSJXADFX-UHFFFAOYSA-N 477.616 -0.269 50 20 JBGD CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)OCC(=O)NNC(=O)c2cccs2)cc1 831687952 BMBDDUWCPFQPAJ-UHFFFAOYSA-N 454.486 -0.011 50 20 JBGD O=C(CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 912638338 AKTTVNFYDCIQJM-YXUGBTPSSA-N 488.522 -0.724 50 20 JBGD Cc1ccc(S(=O)(=O)NCC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1 913134748 QTCBEMGZUWCIBC-UHFFFAOYSA-N 496.567 -0.245 50 20 JBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N([C@H]3CCS(=O)(=O)C3)N(C)C)CC2)cc1 918556489 BVHRTBLTXJNREZ-KRWDZBQOSA-N 458.606 -0.206 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc4nonc4c3)C2)C1 1777717200 KCZDZSOSZURQTM-NRFANRHFSA-N 451.443 -0.021 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(=O)nc4cccnn34)C2)C1 1780061974 UTDNFHSUMBKSSP-QNBNLKTOSA-N 492.496 -0.333 50 20 JBGD C[C@@H](CS(C)(=O)=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCC(=O)NN(C)C)C1 1782210262 LECNLQBYHQQOJX-RZQQEMMASA-N 460.597 -0.446 50 20 JBGD Cc1ccc(=O)n(C(C)(C)C(=O)N2CCO[C@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)n1 1783934575 JEELNZNARCZDAM-QFIPXVFZSA-N 462.551 -0.510 50 20 JBGD CN1Cc2ccccc2C[C@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795737195 BVLRBHIBIIPNDH-MQFRRQCYSA-N 463.343 -0.374 50 20 JBGD Cc1onc(-c2ccncn2)c1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797752744 DLOHAEILFXLKKB-HBCWATKFSA-N 492.496 -0.044 50 20 JBGD COc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)c(O)c1OC 1799664578 GMNQZAAELCRPRM-CCWDJLKJSA-N 470.287 -0.394 50 20 JBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(F)CN(C(=O)OC(C)(C)C)C1 1802202029 SHICYZKHLHPSRX-JLVBRIDZSA-N 485.557 -0.092 50 20 JBGD CC(=O)OC[C@H](OC(C)=O)C(=O)N1CC[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1 1813074076 QQQLLNNSEPZONR-CNNODRBYSA-N 491.545 -0.045 50 20 JBGD O=C(CSc1nc[nH]n1)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1813343870 BEFFVDCPPDMFAG-VQIMIIECSA-N 466.332 -0.009 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccnc(Cl)c1)CCO2 1834179418 ICFQMPMRJWOPEY-OAQYLSRUSA-N 459.695 -0.201 50 20 JBGD CN1CCC[C@H](C(=O)N2CCC(N3CCC(NC(=O)c4ccc(B(O)O)cc4)CC3)CC2)C1 1834798270 ATZFDHBJLULFAO-IBGZPJMESA-N 456.396 -0.107 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC1CCN(C2CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])CC2)CC1 1835737792 AIAXCCMBMYGLOV-UHFFFAOYSA-N 485.505 -0.185 50 20 JBGD Cc1c(F)ccc(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)c1N 1835928268 HQPJSOJQDKWXDJ-QHCPKHFHSA-N 471.294 -0.220 50 20 JBGD COc1ccnc(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)c1OC 1835931717 YOJMJSZZUFNKTP-QHCPKHFHSA-N 485.302 -0.838 50 20 JBGD CCS(=O)(=O)N[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1836845945 ZVOBJXACNPXAFJ-INIZCTEOSA-N 495.407 -0.694 50 20 JBGD C[C@H](Nc1ccccn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1837743629 PJNAKOIOQYEJTE-HJPURHCSSA-N 483.529 -0.349 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CNC(=O)C3)C2)C1 1838528250 MVTBLIRTCKWKLA-IVZQSRNASA-N 490.469 -0.274 50 20 JBGD CN(C)c1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)cc1 1838962133 CMTOYRYMYWIFAA-DEOSSOPVSA-N 467.331 -0.184 50 20 JBGD CC(=O)C(=O)N1CCOC[C@]2(CN(C(=O)CN(C)NC(=O)NCc3ccccc3)CCO2)C1 1839054053 DIPUEXNGUGDOJX-QFIPXVFZSA-N 461.519 -0.622 50 20 JBGD CN1CCN(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@](C)(Cl)CCl)CCO3)CC1 1839152862 MTVNSXFIWIDEFO-MOPGFXCFSA-N 451.395 -0.074 50 20 JBGD Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)cc1O 1839266403 ZBDJCRFKWZUOJR-HSZRJFAPSA-N 454.288 -0.236 50 20 JBGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)NC(=O)OC(C)(C)C)CCO2 1839388369 PAULYZFQMITZGK-IQUTYRLHSA-N 465.931 -0.460 50 20 JBGD Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)cc2c[nH]nc12 1839510955 WZJUANGSRYCKAK-XMMPIXPASA-N 478.314 -0.065 50 20 JBGD CC(C)n1nc(C(=O)NNC(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)c2ccccc2c1=O 29232455 IITBJIZLFZJAOC-UHFFFAOYSA-N 463.454 -0.002 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)c3cccc(N4CCOCC4)n3)CCO2)C1 1779029940 CCOXRIPVXBUUCJ-DEOSSOPVSA-N 495.540 -0.326 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)c3ccc4c(c3)CC(=O)N4)CCO2)C1 1779031772 FSUDVCZULUSPPZ-QHCPKHFHSA-N 464.482 -0.063 50 20 JBGD CNC(=S)NCCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnccc2C(=O)NN)C1 1779372663 UHFIJKAOBKRJQX-IIBYNOLFSA-N 477.591 -0.703 50 20 JBGD COC[C@@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)Cc3cn4c(nc3=O)SCC4)CCO2)C1 1783880767 FNGDBDTYXYBWRG-AUUYWEPGSA-N 456.952 -0.025 50 20 JBGD C[C@H](NNc1ccccc1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786978786 VGONWTREJPELCD-DBXVSBKESA-N 466.347 -0.035 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/N3CCCCC3)[C@H]2C1 1788601122 YLGUJWXSCXDQNO-UAZLUECFSA-N 457.535 -0.250 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CSCC(=O)O)[C@H]2C1 1791301970 OROFYXMVKMJBCI-CQDKDKBSSA-N 451.505 -0.904 50 20 JBGD CN(CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCNC(=O)C1)NC(=O)NCc1ccccc1 1801069042 DIUSDNFAMJNSQC-VWNVYAMZSA-N 486.573 -0.552 50 20 JBGD C[C@@H](C(=O)N1CCC2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)CC1)N1CCN(C)CC1 1809980809 VLGVRFULKQLIDQ-IBGZPJMESA-N 456.396 -0.153 50 20 JBGD O=C(CN1C(=O)C=CC1=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1822529367 DBBLSVCHIHDTPQ-INIZCTEOSA-N 451.248 -0.680 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)C1CCC(CO)CC1)CCO2 1832519103 WMHBGTCWZZXMDG-KXXGJQBSSA-N 460.336 -0.765 50 20 JBGD CC(C)(NCCC#N)C(=O)NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834715316 SVOOBFXLLHDBEA-UHFFFAOYSA-N 469.395 -0.167 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)c3cc[nH]c4nccc3-4)C2)C1 1835928092 DLSNSFAJPKMMLY-QHCPKHFHSA-N 464.287 -0.422 50 20 JBGD COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)cc1 1835929465 PWOQZJRUTQUZDY-XMMPIXPASA-N 468.315 -0.312 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)[C@@H]3Cc4ccccc4O3)C2)C1 1835930431 IMCOGLIRKXCUMU-XUZZJYLKSA-N 466.299 -0.560 50 20 JBGD CC(C)c1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)on1 1835931214 IRGLVIZNNRDQKH-JOCHJYFZSA-N 457.292 -0.138 50 20 JBGD CC(C)(C)OC(=O)NCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835933590 CSCPSEWLIQSQSR-HSZRJFAPSA-N 491.350 -0.649 50 20 JBGD Cc1cnn([C@H](C)C(=O)N2CCOC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)c1 1835940169 XHTNOUJOOARIGR-VGSWGCGISA-N 456.308 -0.797 50 20 JBGD COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)cc1O 1837455632 AUKHHFQWXYPMGA-XMMPIXPASA-N 499.524 -0.288 50 20 JBGD C[C@@H](Nc1ccccn1)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1837741162 IWWUXDONCAVIQA-UZUQRXQVSA-N 468.319 -0.668 50 20 JBGD CCc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)nn1C 1838273590 OEDGVULHYIVZNI-QFIPXVFZSA-N 456.308 -0.954 50 20 JBGD CCNC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](F)Br)CCO2)C1 1839200470 LKEAUNZUXKYRBK-XHBSWPGZSA-N 453.309 -0.159 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(-n3cccn3)cc1)CCO2 1839337070 HQIAXJDRKAQKDE-VWLOTQADSA-N 490.325 -0.064 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc4ccccn34)C2)C1 1840184390 JMGWMEQWIDOUIK-QFIPXVFZSA-N 458.519 -0.223 50 20 JBGD CC[C@@H](Br)C(=O)N1CCCC12CN(C(=O)Cn1cnc3c1c(=O)n(C)c(=O)n3C)C2 1846069262 RGHPTCMXQXJJTH-GFCCVEGCSA-N 481.351 -0.189 50 20 JBGD Cn1nc(SCC(=O)NNC(=S)NCCc2ccc3c(c2)OCCO3)c(=O)n(C)c1=O 726746101 GZFGSPRRFDBPSU-UHFFFAOYSA-N 466.545 -0.920 50 20 JBGD O=C(CNC(=O)c1ccco1)NNC(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1 751211893 MJHLCNXNOIVCGF-UHFFFAOYSA-N 456.502 -0.518 50 20 JBGD O=C(NCCCN1CCN(c2ncccn2)CC1)NNC(=O)c1ccc(-n2cnnn2)cc1 916267506 SAGVZUXUWVGQBA-UHFFFAOYSA-N 451.495 -0.391 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)c3ccc(OCCCO)cc3)C2)C1 1780123146 SCFVQYQTJFTJQW-DEOSSOPVSA-N 468.315 -0.115 50 20 JBGD COC(=O)NCC(=O)N1CCO[C@@]2(CCN(C(=O)CN(C)NC(=O)NCc3ccccc3)C2)C1 1780968359 AVQXESFHARCYGN-JOCHJYFZSA-N 476.534 -0.482 50 20 JBGD CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](F)Br)C2)C1 1781334656 NSRTUUFNEBQQCL-CPUCHLNUSA-N 460.304 -0.023 50 20 JBGD C[C@@H](CBr)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN(CCO)CCO)C[C@@H]21 1783974091 GTOXSUSDRIHVFW-VGWMRTNUSA-N 450.374 -0.716 50 20 JBGD CN1CCCn2nc(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)c5cccc(B(O)O)c5)C[C@@H]43)cc2C1 1790523060 BIMVAAWHMVLUNX-XJABCFGWSA-N 481.362 -0.695 50 20 JBGD CCC[C@@H](NC(C)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21 1792186649 USULUCHDSOIOOZ-FZDIXFNVSA-N 460.535 -0.417 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCC(=O)N1)C2 1793881186 UFOJQAXUXKDWFY-YMSVYLFOSA-N 458.943 -0.013 50 20 JBGD C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1)N(C)C(=O)OC(C)(C)C 1795739712 FCUGYBOIPNVTMC-VYCZESIESA-N 475.351 -0.175 50 20 JBGD CNC(=S)NCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C(C)=N/NC(=O)c1ccc[nH]1 1796442015 MZRKDBUHDMWPAN-LVTGYEAHSA-N 463.564 -0.806 50 20 JBGD COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)n1 1801011477 ORCPRTUJGRABJQ-IVWMJMPLSA-N 464.479 -0.425 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@H]1CCN(C(=O)[C@@H](N)CCC(N)=O)[C@H]1c1cccnc1 1808414579 KGELWHTXBQKCJC-RWJOSRSFSA-N 482.545 -0.186 50 20 JBGD O=C(CN1C(=O)C=CC1=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1813173610 WXAJVNWSQONNDN-HTAPYJJXSA-N 462.271 -0.994 50 20 JBGD O=C(/C=C\C(=O)N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1)NC1CC1 1815356319 CALKWTABYOXHQL-CDNLZTBQSA-N 454.317 -0.117 50 20 JBGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1)c1cc2n(n1)CCNC2=O 1816624481 UAQJQGSDZCRXCK-KRWDZBQOSA-N 477.290 -0.351 50 20 JBGD Nc1n[nH]c(CCC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)n1 1828804062 DRJPZONURTXBFD-SFHVURJKSA-N 454.340 -0.067 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(F)(F)C(F)F)CCO2 1832190366 CTHPNGYGOGWZOS-QGZVFWFLSA-N 463.388 -0.345 50 20 JBGD O=C1CC[C@H](C(=O)NC2CCN(C3CCN(C(=O)c4cccc(B(O)O)c4)CC3)CC2)CN1 1833120317 VIYRETNEKXHLOD-KRWDZBQOSA-N 456.352 -0.922 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCC(N2CCC(NC(=O)Cn3ccccc3=O)CC2)CC1 1834824037 BWZGCSUTWFKFNE-UHFFFAOYSA-N 481.557 -0.268 50 20 JBGD C[C@@H](Nc1cnccn1)C(=O)NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1835748563 YLNFZKSAYWYUAF-QGZVFWFLSA-N 480.378 -0.158 50 20 JBGD C[C@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835933724 BGKBRFHNTIMYQS-KUHUBIRLSA-N 469.141 -0.533 50 20 JBGD Cc1noc(C)c1CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835934088 MVPAQNGTLKZTLH-QFIPXVFZSA-N 457.292 -0.716 50 20 JBGD COc1ccc(COCC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)cc1 1835934561 YQXXTSXNQCZFQB-VWLOTQADSA-N 498.341 -0.338 50 20 JBGD COc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)c(F)c1 1835939006 BAYWIPZAPJYVAW-QHCPKHFHSA-N 472.278 -0.102 50 20 JBGD O=C(CCN1C(=O)C=CC1=O)N1CCC(OC2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1836995657 SVGDFWXUIVTLQU-UHFFFAOYSA-N 483.330 -0.706 50 20 JBGD CCC[C@H](NC(C)=O)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837460710 JRZHWIIVBHLNJR-AVRDEDQJSA-N 476.534 -0.940 50 20 JBGD CCc1noc(C)c1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1838059842 RNACBGFREPCYPC-JOCHJYFZSA-N 472.502 -0.072 50 20 JBGD COc1ccc2[nH]cc(C(=O)N3CCO[C@@]4(COCCN(C(=O)c5ccc(B(O)O)cc5)C4)C3)c2n1 1838487662 BQWAWRNGSQVUDZ-XMMPIXPASA-N 494.313 -0.365 50 20 JBGD COc1ccc(S(=O)(=O)NCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1OC 767935305 ZKMOABKMTNJHRO-KRWDZBQOSA-N 451.457 -0.031 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2 1779371134 GXOCMXZVEXJFTG-DYESRHJHSA-N 486.489 -0.383 50 20 JBGD O=C(c1n[nH]c2c1CS(=O)(=O)C2)N1CCO[C@@]2(CCN(C(=O)[C@@H](F)Br)C2)C1 1781330629 CXVXAFWGPUDIHY-IUODEOHRSA-N 465.301 -0.028 50 20 JBGD COCCOCCOCCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cnccc1C(=O)NN)CCO2 1783667150 VLNMVQCEOHCSCH-QFIPXVFZSA-N 479.534 -0.802 50 20 JBGD Cc1nn(C)c(C)c1CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cnccc1C(=O)NN)CCO2 1784508533 AHLDVLXORYPLMT-QFIPXVFZSA-N 455.519 -0.278 50 20 JBGD C[C@H](CBr)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786978612 CYDPTLFTMGPFOY-QCPWZWHMSA-N 453.142 -0.009 50 20 JBGD COC(=O)[C@H]1CC=CC[C@@H]1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786986670 XJHXYVUBVANKLA-MQBSTWLZSA-N 470.331 -0.285 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCS(=O)(=O)c1ccccc1)C2)c1ccc(B(O)O)cc1 1795734273 AIRCUNLOMYVCSZ-OPMZPASUSA-N 486.355 -0.566 50 20 JBGD COC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795739055 SLPZDGKIPMDJHX-UKBAYJJMSA-N 491.350 -0.891 50 20 JBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(S(C)(=O)=O)cn1)C2 1801009560 NPYPSWAAIZYSLK-HBCWATKFSA-N 467.548 -0.939 50 20 JBGD CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)Br)C2 1801289191 NLJDBEBELYKVNV-GIRXQMHSSA-N 456.341 -0.170 50 20 JBGD CN1CCN(CC(=O)N[C@@H]2CCc3nc(NC(=O)c4cccc(B(O)O)c4)sc3C2)CC1 1815356296 ATBKOBDBXLSJCF-MRXNPFEDSA-N 457.365 -0.704 50 20 JBGD Cc1cn(CC(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc(B(O)O)c3)[nH]n2)c(=O)nc1O 1823366767 CYZSGPUATXBFNS-QGZVFWFLSA-N 480.290 -0.334 50 20 JBGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)CCC(=O)NN(C)C)CC2 1826089381 AUNFWHUMSXCOOX-GFCCVEGCSA-N 453.569 -0.199 50 20 JBGD CCS(=O)(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](Cl)COC)C2)C1 1831330639 WBJXLPHODKELCU-KEYYUXOJSA-N 455.961 -0.976 50 20 JBGD CN(C)c1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)nc1 1833646931 ZNOMANDDFTXGJW-QHCPKHFHSA-N 468.319 -0.789 50 20 JBGD Cc1cc(C(=O)NC2CCN(C3CCN(C(=O)c4ccc(B(O)O)cc4)CC3)CC2)nn1C 1834171621 CXUMDBCINCMIHA-UHFFFAOYSA-N 453.352 -0.093 50 20 JBGD CCc1nc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)co1 1838135424 MCTKJJRYHXZATM-NRFANRHFSA-N 458.475 -0.381 50 20 JBGD COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)c(C#N)c1 1839132109 SAIJHWUEMNGQFQ-RUZDIDTESA-N 493.325 -0.441 50 20 JBGD C[C@@H](Cc1ccncc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1839657946 NLVHGKYMZJVUBJ-UUOWRZLLSA-N 467.331 -0.290 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(CN(C(=O)COc3cccnn3)CCO2)C1 1840409472 LFJYZIOSXSKWKJ-LWROZRRASA-N 485.501 -0.554 50 20 JBGD C[C@H](Oc1cccnc1)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1840452373 ODEAFDLDIXQLPN-GAJHUEQPSA-N 469.303 -0.701 50 20 JBGD O=C(CN1C(=O)CSC1=S)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1840897134 MUFJACLDKHJRRG-SWLSCSKDSA-N 484.369 -0.006 50 20 JBGD CS(=O)(=O)N1CCC(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)CC1 14287683 LADGHAXVLKMSSJ-UHFFFAOYSA-N 458.562 -0.096 50 20 JBGD O=C(CNS(=O)(=O)c1cccc(C(F)(F)F)c1)NNC(=O)N[C@H]1CCS(=O)(=O)C1 729342071 WUXQDRKNNKUWPN-JTQLQIEISA-N 458.440 -0.499 50 20 JBGD CN(CC(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1)C1=NS(=O)(=O)c2ccccc21 746265742 IJIHYCQJNVOCHC-INIZCTEOSA-N 488.478 -0.402 50 20 JBGD CC(C)Cn1cnc2c1c(=O)n(CC(=O)NNC(=O)[C@@H]1CCC(=O)NC1)c(=O)n2Cc1ccccc1 916148102 WVWJMHGVBAWPKG-QGZVFWFLSA-N 495.540 -0.262 50 20 JBGD Cc1nc2ccccn2c1C(=O)NNC(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 918775957 GIYWQLQGUQEZRE-HUUCEWRRSA-N 479.563 -0.031 50 20 JBGD CC(C)(C)OC(=O)N1CC(C(=O)N2CC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)C1 1778124204 AYGCBDWHWXYDGW-QHCPKHFHSA-N 473.335 -0.323 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@]2(CCN(C(=O)CN3CCN(C)CC3)C2)C1 1778260458 HLVAWWXQQIIEGO-ZRZWOPFXSA-N 459.551 -0.802 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)c3cnc4c(c3)NC(=O)CS4)CCO2)C1 1779036562 AWZHEQPGFKEORA-JOCHJYFZSA-N 497.537 -0.118 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cnncc1C(=O)O)C2 1779372645 RMVHLEQLKUITAI-VGOFRKELSA-N 483.485 -0.385 50 20 JBGD CN1CCN(C2(C(=O)NC[C@@]34CCCO[C@@H]3CCN(C(=O)c3ccc(B(O)O)cc3)C4)CC2)CC1 1780648606 MMNCICOPUNUJBM-ZJSXRUAMSA-N 484.406 -0.726 50 20 JBGD C[C@@H](O)[C@H](NC(=O)c1ccccc1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]2C1 1784083605 DEKJSOLCEFPPKB-IWCDAZGSSA-N 467.950 -0.255 50 20 JBGD CC[C@@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCS(=O)(=O)CC3)[C@H]2C1 1785037001 WSAXMXHWSQHQGL-JONQDZQNSA-N 480.425 -0.130 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(=O)nc4sccn34)[C@H]2C1 1789138277 CASUGQFMSOIONP-NUTKFTJISA-N 497.537 -0.338 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncn(-c3ccccc3)n1)C2)c1ccc(B(O)O)cc1 1795734653 XLLVILPHJQANHU-XEMDLRDOSA-N 461.287 -0.536 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1ON=C(c3ccccc3)O1)C2)c1cccc(B(O)O)c1 1795738760 DYEZWBXELUXJTB-ZQYRFBGISA-N 465.271 -0.696 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cncn1 1795850946 UJHGASGXJBGSMG-FQLMCAECSA-N 456.931 0.000 50 20 JBGD COCCOCCOCCOCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1 1796191700 OWLRDZIMELVTCN-KOUNCHBCSA-N 492.378 -0.296 50 20 JBGD Cn1nc(C(F)(F)F)cc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797751505 BBWZLHKGWJMZNQ-CULMDFNYSA-N 481.435 -0.046 50 20 JBGD O=C(NC[C@@H]1CCN(C(=O)COc2cccnn2)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807376471 ZSXBIEVGPAWSMX-PGRDOPGGSA-N 461.287 -0.050 50 20 JBGD CN[C@H](CC(=O)N1CC[C@H](CNC(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1)C(=O)O 1810301627 AVGMPWZSVRJJFR-BJZITVGISA-N 469.502 -0.538 50 20 JBGD C[C@@H](O)[C@H](NC(=O)c1ccccc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1830352679 MBTOTYDFYGUMLT-VIRVFLBCSA-N 483.949 -0.778 50 20 JBGD Cc1ccc(C(=O)NCC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)cc1 1830738381 OPRMJQXTYKPWJO-UTKZUKDTSA-N 453.923 -0.219 50 20 JBGD COc1cc(N2CCC(C(=O)N3CCO[C@]4(COCCN(C(=O)[C@H](O)CCl)C4)C3)CC2)ncn1 1830957453 JIMZRYQLFCDWPR-VGOFRKELSA-N 497.980 -0.242 50 20 JBGD CC[S@@](=O)CCC(=O)NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1835655703 RUXMESVGKJUZAK-JGCGQSQUSA-N 463.409 -0.290 50 20 JBGD Cc1cc(CC(=O)NC2CCN(C3CCN(C(=O)c4ccc(B(O)O)cc4)CC3)CC2)n[nH]1 1835787366 GXKMATJQEZXWGB-UHFFFAOYSA-N 453.352 -0.174 50 20 JBGD O=C(CCc1ccccn1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835927539 RXUJHQNDSNAGHN-HSZRJFAPSA-N 453.304 -0.536 50 20 JBGD Cc1cccc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)n1 1835927670 WJBHYLZBWBQLHA-DEOSSOPVSA-N 467.331 -0.227 50 20 JBGD C[C@@H](Cc1ccco1)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835933965 KIIWNMJWODXTCL-GAJHUEQPSA-N 456.304 -0.092 50 20 JBGD Cc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)nc1 1837456550 JXQOBOKCHOMPIL-QFIPXVFZSA-N 454.487 -0.228 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc4[nH]ncc34)C2)C1 1837457863 SUJZTGHUTNSFCJ-QHCPKHFHSA-N 479.497 -0.055 50 20 JBGD Cc1cc(/C=C/C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)no1 1837458783 BTSODUQYUCMRCK-UHQIAATHSA-N 470.486 -0.235 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)Nc1cnccn1)CCO2 1837480447 QGQIFMXMPJBFIQ-ZNRCPCANSA-N 498.544 -0.133 50 20 JBGD CN(CC(=O)N1CCO[C@]2(COCCN(C(=O)CC(C)(C)O)C2)C1)NC(=O)NCc1ccccc1 1839054258 PEABGPCUOHKUSL-DEOSSOPVSA-N 491.589 -0.050 50 20 JBGD O=C(O)c1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](F)Br)CCO3)ncn1 1839197563 BBZIGJGUXVHURI-WBMJQRKESA-N 461.244 -0.065 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCN3C(=O)OC(C)(C)C)C2)C1 1840182592 NYMUEVRKWIBRLY-UZUQRXQVSA-N 497.593 -0.175 50 20 JBGD COCCOCCOCCOCC(=O)N1CC2(CCCN2C(=O)CCC(=O)NN(C)C)C1 1846385857 DOZXDWFLUBCZDB-UHFFFAOYSA-N 458.556 -0.741 50 20 JBGD CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)c1cccc(B(O)O)c1)C2 1847040413 AXLAAXNJADHCHF-KRWDZBQOSA-N 489.334 -0.360 50 20 JBGD CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2cccc(B(O)O)c2)[C@@H](O)C1 1847233662 BSLXYJLMQZDPIE-FYQPLNBISA-N 487.362 -0.200 50 20 JBGD CSCC[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)NNC(=O)N(C)C 746012449 BUJYRWHWHLVIRM-MRXNPFEDSA-N 487.604 -0.139 50 20 JBGD CCOC(=O)NCC(=O)NNC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1S(C)(=O)=O 920436460 MSQIAARMTCVXSM-AWEZNQCLSA-N 472.520 -0.154 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)c3cn4cc(F)ccc4n3)C2)C1 1778540745 NUIKNFRUDAOACS-JOCHJYFZSA-N 452.251 -0.090 50 20 JBGD O=C(CCN1CCOC1=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2 1778779238 MUZZVPYITVZTRR-XMSQKQJNSA-N 459.308 -0.664 50 20 JBGD CC[S@@](=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cnccc1C(=O)NN)C2 1779220518 NFTSRZFHPCIUFJ-HWVJKLMQSA-N 465.576 -0.029 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)c3cccn(C(F)F)c3=O)C2)C1 1779357131 FGLJBRNRAOJLDD-OAQYLSRUSA-N 461.230 -0.320 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)[C@H]3C[C@@]34C(=O)Nc3ccccc34)C2)C1 1783494285 KWHLICIZNITPAR-NGXZDTIWSA-N 475.310 -0.280 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)COc3ccc(O)cc3)C[C@@H]21)c1ccc(B(O)O)cc1 1786978745 QEKMCIIHMKDTCF-NDXORKPFSA-N 454.288 -0.256 50 20 JBGD Cc1nnc(CCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)s1 1786980125 MENVRZWMJRIBMC-SZMVWBNQSA-N 458.349 -0.248 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C[C@](C)(O)CC(=O)O)[C@H]2C1 1791284277 GDWRPLVDQJCFBG-ZBTPNINWSA-N 477.518 -0.284 50 20 JBGD COc1cccnc1CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795737199 CDIHZAJWDCJIMP-FAQVEIGNSA-N 453.304 -0.394 50 20 JBGD C[C@H](NC(=O)c1ccc(F)cc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797752898 LYZSTSFFVGYOJE-NTNQKNOYSA-N 498.515 -0.154 50 20 JBGD CN(CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cncn1)C2)NC(=O)NCc1ccccc1 1799094806 LPGMTMBCMBGTTB-RMFSNUHRSA-N 470.534 -0.786 50 20 JBGD C[C@@H](C(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1)N1CCN(C)CC1 1807372536 GAYLLUSJYSIJJY-AVCGJXAMSA-N 479.390 -0.283 50 20 JBGD C[C@H](C(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1)[C@@H]1SC(=N)NC1=O 1808397085 ZBBWPXJSYWPYNO-FDARSICLSA-N 495.370 -0.117 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CN1C(=O)CNC1=O)CC2 1817276173 NVWJLIDGFJTBEZ-VCEHOBFASA-N 486.514 -0.259 50 20 JBGD NC(=O)NCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@H](O)CCl)C2)C1 1829471558 LRXYWWNWDNNWRZ-IERDGZPVSA-N 481.937 -0.294 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc([N+](=O)[O-])o1)CCO2 1829485090 XFVISXHIPXPZHN-HXUWFJFHSA-N 459.220 -0.749 50 20 JBGD C[C@H](NNc1ccccc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1829815299 XCLWCNXIAFYGPJ-FDDCHVKYSA-N 476.578 -0.179 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(CN(C(=O)CSC(=N)N)CCO2)C1 1835510674 KXRPHGNPBHVCHE-QMFLXTPQSA-N 465.536 -0.797 50 20 JBGD COc1cnc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)c(F)c1 1835927607 VCPOVVZFMONCIN-JOCHJYFZSA-N 473.266 -0.707 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)c3cc4cccnc4nc3O)C2)C1 1835932035 LDTSBWGFYUKXDD-XMMPIXPASA-N 492.297 -0.601 50 20 JBGD CCc1ncsc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1838837251 KBYDQHDYSTUNMG-NRFANRHFSA-N 459.333 -0.231 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(Br)CC1)CCO2 1839207071 HFRPTALBVLOWEJ-SFHVURJKSA-N 482.335 -0.317 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3nccn3)CCO2)C1 1839236802 LGLQHXIEPJNZEY-OAQYLSRUSA-N 488.457 -0.118 50 20 JBGD CC[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCS(=O)(=O)CC3)C2)C1 1839963078 ZLJKKNSORKZSPM-MAUKXSAKSA-N 496.424 -0.653 50 20 JBGD COCCOCCOCCOCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](Cl)COC)CCO2 1840156099 NLPSURAGZYFZPY-RXVVDRJESA-N 496.985 -0.607 50 20 JBGD CCc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)n(C)n1 1840185243 HPGHIPKRBBSZBK-NRFANRHFSA-N 450.540 -0.575 50 20 JBGD CC(C)c1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)n[nH]1 1840185626 QRRLCJFWTTWDKC-OAQYLSRUSA-N 450.540 -0.024 50 20 JBGD CC(C)(C)OC(=O)N1CCOC[C@@H]1C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cccc(B(O)O)c1 1847943604 MZZWCQMATKPRCL-GBESFXJTSA-N 473.335 -0.182 50 20 JBGD COc1cccc(NCC(=O)NNC(=O)CNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c1 825797088 PYYBZYYUENMEJU-UHFFFAOYSA-N 463.516 -0.065 50 20 JBGD O=C(NCCNC(=O)c1ccco1)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 916259892 UHMIFQYTXMQTEY-UHFFFAOYSA-N 465.488 -0.326 50 20 JBGD CN(CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc(O)ncn1)CCO2)NC(=O)NCc1ccccc1 1780970229 VJWBWSZVQMGVHC-HSZRJFAPSA-N 483.529 -0.028 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@@]2(CCN(C(=O)COCCO)C2)C1 1781317650 BTZDNLOVIGZKTA-HXUWFJFHSA-N 451.432 -0.028 50 20 JBGD Cn1nc2c(c1C(=O)N1CC[C@]3(CN(C(=O)c4cnccc4C(=O)NN)CCO3)C1)CCC2 1782439066 VMAUENOBBQLLEM-JOCHJYFZSA-N 453.503 -0.335 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)CN1C(=O)CSC1=S)CCO2 1783939918 NLYAHNGSJMXKIB-GOSISDBHSA-N 457.578 -0.950 50 20 JBGD O=C(CN1C(=O)CNC1=O)Nc1ccc(C2(NC(=O)c3ccc(B(O)O)cc3)CCC2)cc1 1786638526 AXYIGQQTPTULDQ-UHFFFAOYSA-N 450.260 -0.334 50 20 JBGD Cc1ccc(S(=O)(=O)CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)cc1 1795322662 MFQPMUJMLNALRH-OPMZPASUSA-N 486.355 -0.648 50 20 JBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3n(n1)CCCO3)C2 1797751703 PTPNSCZSPDUZTE-IVWMJMPLSA-N 455.475 -0.819 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H](CNC(=O)[C@@H]2CCC(=O)NC2)[C@H]1c1cccnc1 1802607949 DYOKQIGZIKBPMW-JXXFODFXSA-N 465.514 -0.074 50 20 JBGD O=C(NC[C@@H]1CCN(C(=O)CCN2C(=O)C=CC2=O)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807360925 DEDSXPSPSSUQKN-MBSDFSHPSA-N 476.298 -0.604 50 20 JBGD CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807373215 PIQSWSJHNXDGRX-FBBABVLZSA-N 498.345 -0.076 50 20 JBGD O=C(NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1)c1cnc(O)nc1O 1808277932 GLYVFCYRBFALRK-YJBOKZPZSA-N 463.259 -0.404 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCC2(CCCN(C(=O)CNCP(=O)(O)O)C2)CC1 1809661067 INZIPLLGNZPDOE-UHFFFAOYSA-N 468.451 -0.745 50 20 JBGD CC(=O)OC[C@H](OC(C)=O)C(=O)N1CC[C@H](CNC(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1813074086 QQQLLNNSEPZONR-DXIQSLLYSA-N 491.545 -0.045 50 20 JBGD C[C@H](C(=O)N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1)[C@@H]1SC(=N)NC1=O 1815354553 IJBDAXQRSWVMQZ-FMSQNYNMSA-N 487.372 -0.149 50 20 JBGD COc1ccc([C@@H](O)C(=O)N2CCO[C@@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)cc1 1830221425 NZGKOVSIEYKKLD-FYYLOGMGSA-N 478.546 -0.442 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(=O)c3ccccc3o1)CCO2 1830310431 UIVOTJYFEWXDPQ-RUZDIDTESA-N 492.293 -0.143 50 20 JBGD C[C@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)N3CCOCC3)C2)C1 1830540092 MVWHPPIITYTCHQ-KYJSFNMBSA-N 464.357 -0.876 50 20 JBGD Cc1cccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)n1 1830918296 ZVGMPMWFNKROHM-QHCPKHFHSA-N 453.304 -0.617 50 20 JBGD CC(=O)N[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1)C(C)(C)C 1831090105 YJNCEUOOVPLPPZ-JPYJTQIMSA-N 490.561 -0.694 50 20 JBGD Cc1ccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)nc1 1832991999 VVORPDVOLURIDP-DEOSSOPVSA-N 467.331 -0.227 50 20 JBGD Cc1nccn1[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835934156 NFPHTIHBADYMAI-OPAMFIHVSA-N 456.308 -0.797 50 20 JBGD Cc1cc(C(N)=O)cc(C)c1C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1837437753 LRPLQTNEEFPPGG-XMMPIXPASA-N 489.573 -0.155 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CC[C@@H]3CCC(=O)N3C1)CCO2 1839084513 FNMAJZRWGLQGRY-IXFSTUDKSA-N 479.578 -0.783 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1CCC3(CC1)OCCO3)CCO2 1839774637 KAUSNMJGJKTCMO-QFIPXVFZSA-N 482.578 -0.251 50 20 JBGD C[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)C[C@](C)(O)CC(=O)O)CCO2)C1 1840182107 WPIIZWIPIPZWCG-ZLIFDBKOSA-N 451.314 -0.158 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(Cl)c4nncn4c3)C2)C1 1840185591 POQLZMLGCCFTFX-NRFANRHFSA-N 493.952 -0.174 50 20 JBGD COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NNC(=O)Cn2ccc(=O)n(C)c2=O)c1 915063720 JOJISTWLEISFOE-UHFFFAOYSA-N 487.494 -0.182 50 20 JBGD COCCn1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)n1 1779030689 UGEGHPMCKJAYGF-OAQYLSRUSA-N 457.491 -0.715 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCN1C(=O)C=CC1=O)C2 1779371299 MUCSFIVMBISGNC-UZUQRXQVSA-N 484.513 -0.872 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)c3ccc(-n4cccn4)nc3)C2)C1 1779689651 WMDGKQXNOBWTFJ-QHCPKHFHSA-N 461.287 -0.296 50 20 JBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](O)N1CCOCC1)C2)[C@H](F)Br 1780774692 IJNZLWWAQUVKKX-RPCCPQHDSA-N 452.321 -0.159 50 20 JBGD CCS(=O)(=O)CC(=O)N1CCO[C@@]2(CCN(C(=O)CN(C)NC(=O)NCc3ccccc3)C2)C1 1780970208 UTANQIWOLQPEAN-JOCHJYFZSA-N 495.602 -0.403 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(S(C)(=O)=O)cn3)[C@H]2C1 1785713844 SLVPGILNWWSDCR-ZVZYQTTQSA-N 481.575 -0.549 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1cc2n(n1)CCCO2 1788350954 IIYHNNSMQBIQNE-IEZWGBDMSA-N 454.292 -0.748 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnncc3C(=O)O)[C@H]2C1 1788888314 FQUBTAOJHHGDGU-GOPGUHFVSA-N 469.458 -0.920 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1cccc(-n2cncn2)c1 1790248257 ISEUXBGAKVDNMV-NYVOZVTQSA-N 475.314 -0.146 50 20 JBGD O=C1CC[C@@H](C(=O)N2CSC[C@@H]2C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C(Cl)Cl)C[C@@H]32)N1 1790697009 HSUFQPUTLAUNKY-YHQUGGNUSA-N 493.413 -0.050 50 20 JBGD C[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCS(=O)(=O)CC1 1793838903 VIALMMOMBPSJJH-XPCVCDNBSA-N 452.371 -0.910 50 20 JBGD O=C1CC[C@@H](C(=O)N2CSC[C@@H]2C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](F)Cl)N1 1796370452 KJKDKXOGWVONTC-SYPGZIFDSA-N 462.931 -0.710 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnccc1C(=O)NN)C2 1796740815 QAFDWKSGSGYXAH-LOUJCGABSA-N 476.534 -0.178 50 20 JBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1cn2c(nc1=O)SCC2 1799842157 CYNUIPIUCAKCHZ-QDMKHBRRSA-N 483.554 -0.158 50 20 JBGD CC[C@H](NC(N)=O)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1808228114 CXOCLPJYSCJWEO-YTQUADARSA-N 453.308 -0.472 50 20 JBGD CN1CCN(C2(C(=O)N3CCC4(CCCN(C(=O)c5cccc(B(O)O)c5)C4)CC3)CC2)CC1 1809980139 IVVYYAIXYUBOCK-UHFFFAOYSA-N 468.407 -0.009 50 20 JBGD COC[C@H](NC(C)=O)C(=O)N[C@H]1CCc2nc(NC(=O)c3cnccc3C(=O)NN)sc2C1 1819798047 RWRJVSJVIFRSEW-NHYWBVRUSA-N 475.531 -0.482 50 20 JBGD Cc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1835150051 MXQKMUUSLVSFBN-XMMPIXPASA-N 468.315 -0.176 50 20 JBGD CN1CCN(CC(=O)NC2CCN(C3CCN(C(=O)CCC(=O)NN(C)C)CC3)CC2)CC1 1835484093 ZQGYRJBXJIPOAZ-UHFFFAOYSA-N 465.643 -0.822 50 20 JBGD N[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1)c1cccc(Cl)c1 1835928063 CQFUCNRCUIAAOC-NFBKMPQASA-N 487.749 -0.210 50 20 JBGD CSc1ncccc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835930949 ARIJXGWYBSTDGJ-JOCHJYFZSA-N 471.344 -0.133 50 20 JBGD Cc1ccccc1NCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835935997 ZOEWHSNHLQFCED-DEOSSOPVSA-N 467.331 -0.143 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3F)C2)C1 1837457481 DRTJRDJJFNRORU-OAQYLSRUSA-N 458.450 -0.397 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccncc1O)CCO2 1837817669 FTZHASBOZZNLMC-BHSKHCGUSA-N 470.486 -0.009 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(C)[nH]n1)CCO2 1838658162 AJIJIFRTXWBJLS-SGSZHJQISA-N 457.491 -0.078 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccn3nccc13)CCO2 1839540520 HRXWQTYIMLZKFY-QFIPXVFZSA-N 458.519 -0.223 50 20 JBGD CC[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)CCN3C(=O)C=CC3=O)C2)C1 1839962388 CKJYUZSQIFUPIE-LIRRHRJNSA-N 472.336 -0.069 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCc3ccccc3O1)CCO2 1840136561 DDBNQOUBRLTRKT-WIOPSUGQSA-N 480.326 -0.170 50 20 JBGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3C(=O)CSC3=S)C2)C1 1840156268 LYEVNZBUATWCKH-SJKOYZFVSA-N 465.981 -0.443 50 20 JBGD CC(C)(C)OC(=O)N1CC[C@H](C(=O)N2CCCC23CN(C(=O)c2cccc(B(O)O)c2)C3)[C@@H](O)C1 1841025196 AFHCENHEZZEHEY-OALUTQOASA-N 487.362 -0.199 50 20 JBGD Cn1c(=O)c2c(CC(=O)N3CC4(CCCN4C(=O)c4ccc(B(O)O)cc4)C3)csc2n(C)c1=O 1843011860 CKZJYTZQFXVQKL-UHFFFAOYSA-N 496.354 -0.962 50 20 JBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Br 729276117 XHPLGBVCWLHIOW-JTQLQIEISA-N 497.393 -0.068 50 20 JBGD CC(=O)c1cccc(S(=O)(=O)NCC(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c1 784669453 HVRAKWLQAAULOV-SFHVURJKSA-N 491.478 -0.302 50 20 JBGD Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)s1 919889444 MDCUVYOUEDYCLN-NWDGAFQWSA-N 450.564 -0.273 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CCCS3(=O)=O)C2)C1 1782956264 JBHJNXBHMBBYLO-IJTBFJJCSA-N 465.532 -0.473 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc4c3NC(=O)C4=O)[C@H]2C1 1788436071 IHKNBOMHOQBDBA-IGNZVWTISA-N 492.492 -0.273 50 20 JBGD O=C(CCc1ccc(O)nn1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1790564534 WDMFOTSARKIMMQ-SNRMKQJTSA-N 454.292 -0.912 50 20 JBGD Cn1ccc2c(O)ncc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)c3ccc(B(O)O)cc3)c21 1795734959 BGUQBSTYXXMHLT-CCWDJLKJSA-N 464.287 -0.524 50 20 JBGD COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2 1800799769 HNBUBZCHVRQGKP-QKDZRIPBSA-N 477.942 -0.368 50 20 JBGD O=C(CN1CCOC1=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1803334493 KKKCUQVHZJPHKY-YLJYHZDGSA-N 452.276 -0.467 50 20 JBGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1cc3n(n1)CCNC3=O)CC2)c1cccc(B(O)O)c1 1815355544 VSHPWFNPNAJTHG-CYBMUJFWSA-N 480.315 -0.698 50 20 JBGD NNC(=O)c1ccncc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cn2ccncc2=O)[nH]n1 1819404020 SKRYVXDUUUKLMV-INIZCTEOSA-N 465.474 -0.029 50 20 JBGD C[C@@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)nc(O)n3)C2)C1 1830538545 IVXHWMWRFPDPBP-GTNSWQLSSA-N 459.297 -0.011 50 20 JBGD COC(=O)CSCC(=O)NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1833479785 JGUNXBOOQOHLPX-UHFFFAOYSA-N 477.392 -0.542 50 20 JBGD Cc1cnc(C(=O)N2CCC(N3CCC(NC(=O)c4cccc(B(O)O)c4)CC3)CC2)cn1 1834801315 ZXJWQMAACVJPIS-UHFFFAOYSA-N 451.336 -0.036 50 20 JBGD C[C@H](NNc1ccccc1)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835926262 JKMHOSGUEPAPPW-UUOWRZLLSA-N 482.346 -0.558 50 20 JBGD CC[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1)N(CC)CC 1835934293 UGEMLYPUZPIOIK-OFNKIYASSA-N 461.368 -0.443 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cn3cccnc3n1)CCO2 1836887555 GYGXPOVTELONMF-JEWPKMHUSA-N 494.512 -0.067 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1cn3cc(F)ccc3n1)CCO2 1836959694 ZNROAFHWAIWCGQ-HSZRJFAPSA-N 482.277 -0.463 50 20 JBGD COCc1oncc1C(=O)N1CCOC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837457873 UGISBEPUSVTZIL-OAQYLSRUSA-N 474.474 -0.797 50 20 JBGD CCc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)nn1C 1838275596 GABLRHQNITWKNG-JOCHJYFZSA-N 471.518 -0.635 50 20 JBGD C[C@@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)c3nccnc3C(N)=O)CCO2)C1 1838324672 YIZJEKQCCISEHX-SGTLLEGYSA-N 470.324 -0.324 50 20 JBGD CC(C)c1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)n[nH]1 1838695372 SWSHTMXLSOHVGK-QFIPXVFZSA-N 456.308 -0.403 50 20 JBGD CN(CC(=O)N1CCO[C@]2(COCCN(C(=O)c3nccn3C)C2)C1)NC(=O)NCc1ccccc1 1839054167 JIZJGAJHXCXRLB-XMMPIXPASA-N 499.572 -0.164 50 20 JBGD C[C@](Cl)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)N3CCOCC3)C2)C1 1839153922 VYIOIKDECJUSNO-FHLIZLRMSA-N 454.351 -0.670 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CCOC[C@]2(CN(C(=O)COCCO)CCO2)C1 1839192807 PLEBHTZRDOCHKG-YWZLYKJASA-N 479.958 -0.416 50 20 JBGD C[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nccnc3C(N)=O)C2)C1 1840034582 QGNMEJURAGZNPE-PIGZYNQJSA-N 456.297 -0.571 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cn4ccccc4n3)C2)C1 1840184345 HOVDEKUNTAJLRM-JOCHJYFZSA-N 458.519 -0.223 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1840184811 AYJKDJGXCYZHKL-XOWGOQOESA-N 452.556 -0.713 50 20 JBGD CCN1CCC(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)CC1 1840927866 CNUDHNROIVFEMA-HSZRJFAPSA-N 459.352 -0.832 50 20 JBGD CN(CC(=O)N1CCCC12CN(C(=O)CN1CCOC1=O)C2)NC(=O)NCc1ccccc1 1845038322 PQALKFUBBCIVEA-UHFFFAOYSA-N 458.519 -0.012 50 20 JBGD CC[C@@]1(C)NC(=O)N(CC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)C1=O 912642902 HKMMSDUEXBEHAA-LJQANCHMSA-N 451.505 -0.047 50 20 JBGD COc1cc2c(cc1OC)[C@H](CC(=O)NNC(=O)[C@H]1COCCO1)N(S(C)(=O)=O)CC2 915064896 VBAQWZCMAZHBAA-WMLDXEAASA-N 457.505 -0.485 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)[C@@H]3CN(Cc4ccccc4)CCO3)C2)C1 1778274732 GJBPXOQGFYYPFF-OZXSUGGESA-N 493.369 -0.289 50 20 JBGD CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)N1CC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1781013582 SGNJPMMDUSWPTN-WZONZLPQSA-N 473.335 -0.181 50 20 JBGD CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCC(=O)NN(C)C)C1 1782214091 CCDPKYHECUQQJK-JBYIUTFZSA-N 484.550 -0.632 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21)c1nc2c(=O)[nH]c3ccccc3n2n1 1788078043 RSQDEXANTDGQGX-RKLWJJNISA-N 474.905 -0.236 50 20 JBGD COc1ncccc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1 1788610719 QTDGIJWQGJQVPS-KKXDTOCCSA-N 454.487 -0.004 50 20 JBGD CCOC(=O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21 1792226795 LCYQAMHMUQUPCG-JQFCIGGWSA-N 461.519 -0.132 50 20 JBGD CNc1nsnc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C(C)=N/NC(=O)c1ccc[nH]1 1796440353 TYBKSIUTEWADLG-LVNDZITESA-N 460.520 -0.083 50 20 JBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1=NN(c2ccccc2)C(=O)C1 1796482666 MODQQBKEROXNKU-MFKICJERSA-N 470.530 -0.258 50 20 JBGD COc1ccccc1OCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797748369 SYJDZPXMYNAYCR-USGNIVHTSA-N 469.498 -0.024 50 20 JBGD COC(=O)[C@@H]1CCC[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)C1 1800960850 KHVPOMHOKVWPIQ-GMKVZWAMSA-N 473.530 -0.132 50 20 JBGD CN1CCN(CC(=O)N2CC[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@@H]2c2cccnc2)CC1 1810303206 QSGJLDBZASMNEP-AVRDEDQJSA-N 480.573 -0.353 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H](CNC(=O)[C@H](O)N2CCOCC2)[C@H]1c1cccnc1 1810353428 LPZMJCYRMHNWTF-CXTNMGSXSA-N 497.556 -0.128 50 20 JBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1CCc2nc(NC(=O)CN3CCOCC3)sc2C1 1814567273 RQNWOFWOBKMINX-GFCCVEGCSA-N 459.532 -0.300 50 20 JBGD CC(C)(C)OC(=O)N1CCOC[C@@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1832004920 RNHSUEKBSSVSJO-XFQAVAEZSA-N 491.969 -0.322 50 20 JBGD CN(CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnc[nH]1)CCO2)NC(=O)NCc1ccccc1 1834106579 ZCDYGRZMOWJYRZ-QHCPKHFHSA-N 485.545 -0.174 50 20 JBGD COc1ncccc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1834129429 VTXDDSDYJLCJHU-JOCHJYFZSA-N 455.276 -0.846 50 20 JBGD CN(CC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cn1ccnc1)CCO2)NC(=O)NCc1ccccc1 1834386172 HPIXBCTUHICUQQ-DEOSSOPVSA-N 499.572 -0.314 50 20 JBGD O=C1C[C@@H](C(=O)N2CCC(N3CCC(NC(=O)c4ccc(B(O)O)cc4)CC3)CC2)CCN1 1834798845 FBTHFKGTDDYWJP-KRWDZBQOSA-N 456.352 -0.922 50 20 JBGD CCNC(=O)N[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1 1835711856 STLIDXRZOHEHFH-MRXNPFEDSA-N 467.615 -0.361 50 20 JBGD O=C(Cc1cnc2ccccn12)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835925927 BBFSHEZINHZLDI-DEOSSOPVSA-N 478.314 -0.673 50 20 JBGD C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835931797 DAAXHQCSXWYCOP-MWTRTKDXSA-N 491.350 -0.650 50 20 JBGD CC(C)(CCl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(=O)n4[nH]nnc4n3)CCO2)C1 1836403321 DVDNEBSOOGJVHB-SFHVURJKSA-N 453.887 -0.852 50 20 JBGD COC(=O)[C@@H]1CC[C@H](C(=O)N2CCOC[C@]3(CN(C(=O)c4cnccc4C(=O)NN)CCO3)C2)C1 1837456428 MTNRZOHLNUSSTL-NXHTTZLHSA-N 489.529 -0.656 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(F)n3)C2)C1 1837459389 NSRQCUWCTNCGJX-OAQYLSRUSA-N 458.450 -0.397 50 20 JBGD CCNC(=S)NCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)CBr)C2)C1 1839652744 UNTUWVGTVZBCFK-CXAGYDPISA-N 465.414 -0.042 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)CCCn3ccnc3)C2)C1 1840185994 VQNKFLQXWRHZKG-NRFANRHFSA-N 450.540 -0.507 50 20 JBGD CC(=O)c1cccc(S(=O)(=O)NCCC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)c1 913155475 WUIGDCWIJZSRNR-UHFFFAOYSA-N 457.472 -0.006 50 20 JBGD CS(=O)(=O)c1cccc(C(=O)N2CCO[C@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)c1 1779028678 HZWRUPHCCIZZAW-QFIPXVFZSA-N 487.538 -0.154 50 20 JBGD Cn1ccc(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cnccc3C(=O)NN)C2)n1 1779373131 DVULBIMJNOBRQX-XMSQKQJNSA-N 455.519 -0.211 50 20 JBGD CN(CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1CNC(=O)O1)CCO2)NC(=O)NCc1ccccc1 1780969437 MBSSXEVYFRITTA-HTAPYJJXSA-N 474.518 -0.729 50 20 JBGD C[C@H](CC(N)=O)C(=O)N1CCO[C@@]2(CCN(C(=O)CN(C)NC(=O)NCc3ccccc3)C2)C1 1780969450 MCGSTRRMWQAMSQ-UZUQRXQVSA-N 474.562 -0.326 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)Cn1c(=O)n(C)c3ccccc31)CCO2 1783934367 FQYLABYQICHYMA-QHCPKHFHSA-N 472.546 -0.457 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(-n4ccnc4)ccn3)C[C@@H]21)c1ccc(B(O)O)cc1 1786981157 VYOCDFYWEQCPJO-XJABCFGWSA-N 475.314 -0.146 50 20 JBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1)c1cc2n(n1)CCCNC2=O 1796191489 QMKFNSMSVBMZGO-BJWYYQGGSA-N 451.292 -0.738 50 20 JBGD COc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)c(O)c1OC 1799664983 LYUYQBWOWQRTFX-IVWMJMPLSA-N 485.497 -0.075 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc2c1NC(=O)C2 1800029994 ACUIDZOFQHDQCR-HBCWATKFSA-N 464.482 -0.303 50 20 JBGD C[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1802111854 IXDWEPCJXGGXQE-RMYQPGKMSA-N 465.315 -0.612 50 20 JBGD C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2 1802128898 VJKPRBHUNLQDBM-AXVVYFOYSA-N 479.578 -0.134 50 20 JBGD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1)[C@@H]1CCCS1(=O)=O 1821834329 YIQDWXSCIQSHLN-SJORKVTESA-N 460.321 -0.027 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1COc3ccccc3O1)CCO2 1832497832 RKBVFTZYSDOIJE-RDPSFJRHSA-N 497.508 -0.405 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)CN3CCS(=O)(=O)CC3)CC2)CC1)[C@H](F)Cl 1835079061 LCBSACWYHCZSKM-KRWDZBQOSA-N 452.980 -0.177 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)c3ncc(F)cc3F)C2)C1 1835927581 UJSDXDZHTVACIO-NRFANRHFSA-N 461.230 -0.577 50 20 JBGD CCn1nc(C)cc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835935797 RSPASIYSJHCTQG-JOCHJYFZSA-N 456.308 -0.725 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)COc1cc(Cl)ccn1)CCO2 1837655556 OBMPUUJFKAGLPR-NRFANRHFSA-N 483.953 -0.057 50 20 JBGD C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1)N1CCN(C)CC1 1839104887 XCBIXOQGQBSXOI-RXVVDRJESA-N 456.660 -0.070 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnc3ccc(F)cn13)CCO2 1839592704 WFXMGJJHFNWKIV-JOCHJYFZSA-N 476.509 -0.084 50 20 JBGD C[C@@H](Cc1ccncc1)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1839658235 XFFKZMFJIPPXEQ-MHECFPHRSA-N 467.331 -0.290 50 20 JBGD CCN(CC)CC(=O)NNC(=O)Cn1c(=O)c2c(ncn2CC)n(Cc2ccccc2)c1=O 746821040 KLPNXBPQCPTZSG-UHFFFAOYSA-N 455.519 -0.083 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)N3CCN(C)CC3)C2)C1 1781094679 LCIQMSCGYCTIAZ-KTDDNLLNSA-N 473.578 -0.414 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)c3nc4cc([N+](=O)[O-])ccc4[nH]3)C2)C1 1782182413 RKBMOEYODHLQFD-QFIPXVFZSA-N 479.258 -0.092 50 20 JBGD COC(=O)c1ccc(OCC(=O)N2CC[C@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)cc1 1785719886 LXYQWFZOKMBXPK-DEOSSOPVSA-N 482.298 -0.325 50 20 JBGD COC[C@H](NC(C)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C[C@@H]21 1788773938 MNXGKEQCPCMGJA-TULIZUNBSA-N 476.534 -0.749 50 20 JBGD CCOc1ncccc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797748278 OJDTYCMWFCAEGU-ZSBFGKGUSA-N 454.487 -0.004 50 20 JBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCc3nc[nH]c3C1)C2 1797754441 XGHSDRAOOQUTHC-VYGYDYRJSA-N 453.503 -0.584 50 20 JBGD CSCC[C@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C(C)=N/NC(=O)c1ccc[nH]1)C2 1801025427 HZHMJHPCMLLHGC-XHPRPZMGSA-N 451.549 -0.176 50 20 JBGD CCS(=O)(=O)N[C@H](C)C(=O)N1CC[C@H](CNC(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1813068342 LFCYITZRCHNUPG-MDYRTPRTSA-N 482.607 -0.212 50 20 JBGD CS(=O)(=O)CCC(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1813573773 ISDIZWOYRBSIMS-PXNSSMCTSA-N 459.333 -0.484 50 20 JBGD O=C(Cn1ccncc1=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1821655779 DTNPNTBAKLZZMT-QGZVFWFLSA-N 450.264 -0.348 50 20 JBGD COc1ccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)cn1 1832585068 BHONAUCFMBJORG-QHCPKHFHSA-N 477.562 -0.148 50 20 JBGD C[C@@H](CS(C)(=O)=O)C(=O)NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1833481677 SHPGOJLDTVREGM-INIZCTEOSA-N 479.408 -0.768 50 20 JBGD COc1cnc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)c(F)c1 1833630801 BMCVBSOWKNLASY-QFIPXVFZSA-N 473.266 -0.707 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCC(N2CCC(NC(=O)CNC(=O)c3ccco3)CC2)CC1 1834869083 XJKOEYRXKNUYBY-UHFFFAOYSA-N 497.556 -0.107 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCC(N2CCC(NC(=O)c3ccncn3)CC2)CC1 1835145820 FJCKZCIUTSIURA-UHFFFAOYSA-N 452.519 -0.026 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCCC3=O)CCO2)C1 1835409873 OXRAQHGSWNMCFJ-ZHNJOBQTSA-N 474.518 -0.801 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])o3)C2)C1 1835926610 UWDCYIYBZVBXNW-FQEVSTJZSA-N 459.220 -0.749 50 20 JBGD COc1cc(F)ccc1C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835934189 OWIDKYRCCSMENY-QHCPKHFHSA-N 472.278 -0.102 50 20 JBGD CN(CC(=O)NC1CCN(C2CCN(C(=O)CN)CC2)CC1)NC(=O)NCc1ccccc1 1836343472 CXUODFJCHCCWDW-UHFFFAOYSA-N 459.595 -0.137 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCC(OC2CCN(C(=O)c3ccc[n+]([O-])c3)CC2)CC1 1837239994 QGYFXUCKIXSPTD-UHFFFAOYSA-N 453.304 -0.074 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccccn3)C2)C1 1837457897 VDYMZESMVYXVGK-QFIPXVFZSA-N 454.487 -0.607 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C3CCSCC3)C2)C1 1837461890 HWDSGJUVHOWGPT-OAQYLSRUSA-N 463.560 -0.102 50 20 JBGD O=C1NCCn2nc(C(=O)N3CCOC[C@]4(C3)CN(C(=O)[C@@H](F)Br)CCO4)cc21 1839197597 BSEKKKQJIOXSDE-DYVFJYSZSA-N 474.287 -0.613 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1n[nH]c3ccc(C#N)cc13)CCO2 1839489423 UYVJPWCDUAETFD-HSZRJFAPSA-N 483.529 -0.122 50 20 JBGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)CCO2)C1 1839718987 XRAZEWKHCBUQAL-LIRRHRJNSA-N 472.882 -0.533 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)c1ccccc1Cl)CCO2 1840317087 GYDSKGQRUIDBLN-OFNKIYASSA-N 488.733 -0.177 50 20 JBGD COc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)c1F 1840793396 STJXMCZZIKBKLJ-HSZRJFAPSA-N 472.278 -0.102 50 20 JBGD COC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843013781 MHKUPIDCAKQJTO-KRWDZBQOSA-N 461.324 -0.277 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1CCc2nc(O)nc(O)c2C1 1848214860 PYUMBCTVBAEBHD-GOPGUHFVSA-N 467.486 -0.493 50 20 JBGD C[C@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1ccc(-n2ncc(Cl)c(Cl)c2=O)cc1 728510029 TVXXGAUUFBGAOE-QMMMGPOBSA-N 484.343 -0.214 50 20 JBGD CC(C)NC(=O)C(=O)NNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 744446498 AZBSHJOICXGDAM-UHFFFAOYSA-N 468.532 -0.079 50 20 JBGD O=C(NNC(=O)c1cc(I)ccc1-n1cnnn1)N[C@@H]1CCS(=O)(=O)C1 919884473 FXQHMIBDTOVACC-SECBINFHSA-N 491.271 -0.602 50 20 JBGD C[C@@H](Br)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(=O)n3[nH]nnc3n2)C1 1777823571 PLFOWOZHQZYYAS-ILMHXZGMSA-N 468.312 -0.277 50 20 JBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2)c1ccc2c(n1)OCCO2 1777952739 LDIVYMINDHOFBT-HYBUGGRVSA-N 481.314 -0.026 50 20 JBGD CC(C)(C)OC(=O)NCC(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779034043 JVKRLDRISXKDMK-NRFANRHFSA-N 462.507 -0.347 50 20 JBGD Cc1ccc(=O)n(C(C)(C)C(=O)N2CC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)n1 1779234190 CAVVNGVYUMDLEL-QHCPKHFHSA-N 468.319 -0.890 50 20 JBGD CCOc1ccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cccc(B(O)O)c2)C3)nn1 1780238107 LDFGHUZNNQDOEU-AUSIDOKSSA-N 468.319 -0.004 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)c3ccc(O)c([N+](=O)[O-])c3)C2)C1 1781538740 AIQIQUJJZUDXSH-NRFANRHFSA-N 455.232 -0.263 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C/N=C/c3ccco3)[C@H]2C1 1788678826 RTYMTKOZPJJECF-LYRBGNHUSA-N 454.487 -0.010 50 20 JBGD CN(C)NC(=O)CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](O)CNC(=O)OC(C)(C)C 1793011931 KINCLGUSNGFRQB-FZKCQIBNSA-N 455.556 -0.117 50 20 JBGD CC(C)(C)OC(=O)N1CC(C)(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)C1 1795734106 CTEZERSZCKZLKQ-IZZQQSIFSA-N 487.362 -0.173 50 20 JBGD O=C(/C=C/C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)NCc1ccco1 1797892081 ZDGGPTCDANKDQJ-AOXIVVNTSA-N 467.287 -0.965 50 20 JBGD CC(=O)N[C@@](C)(C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1ccccc1F 1799406697 IGBWEBHFDKINOW-VCYDUHQGSA-N 497.332 -0.240 50 20 JBGD O=C(NC[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807367503 ZNIXZQMJOJICGT-OXJNMPFZSA-N 498.395 -0.059 50 20 JBGD Cc1cc(C(=O)NCC(=O)N2CC[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)no1 1807375711 PNBMSCQMIQXUNH-PGRDOPGGSA-N 491.313 -0.193 50 20 JBGD NNC(=O)c1ccncc1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@H]1CCCS1(=O)=O)CC2 1819800903 USZFGSCZFDJCLP-MEBBXXQBSA-N 478.556 -0.055 50 20 JBGD CC(=O)N1CCN(CC(=O)N[C@@H]2CCc3nc(NC(=O)CCC(=O)NN(C)C)sc3C2)CC1 1826086217 MWJZUCPLFMWATI-OAHLLOKOSA-N 479.607 -0.408 50 20 JBGD C[C@H](O)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1829325153 DPIOZPMBBWOAOE-BVZFJXPGSA-N 495.341 -0.187 50 20 JBGD CCc1[nH]nc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)c1F 1833735778 MOQZUBSBQXIMIR-NRFANRHFSA-N 460.271 -0.825 50 20 JBGD O=C(CCBr)NC1CCN(C2CCN(C(=O)c3cc(=O)n4[nH]nnc4n3)CC2)CC1 1834421924 VKHMHGLDATVFKJ-UHFFFAOYSA-N 481.355 -0.217 50 20 JBGD CCNC(=O)N[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1835709884 TYRBXUUJQKYDEU-INIZCTEOSA-N 473.383 -0.741 50 20 JBGD C[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3n[nH]c4c3CS(=O)(=O)C4)CCO2)C1 1836260391 VYKUFRJMMOWQIC-APPDUMDISA-N 491.364 -0.309 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)c1cc(-c3cccnc3)[nH]n1)CCO2 1838027707 IPRFNYXKSJBDBL-DEOSSOPVSA-N 491.313 -0.465 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(Cl)cc3nn[nH]c13)CCO2 1838618277 JJKKJGMIGILXLV-JOCHJYFZSA-N 499.720 -0.325 50 20 JBGD Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)c(O)n1 1838669241 QFBYXFSEBSAPOA-QFIPXVFZSA-N 455.276 -0.841 50 20 JBGD COc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)c(F)c1 1839291037 LGQZOHMGWFZHNW-QHCPKHFHSA-N 472.278 -0.102 50 20 JBGD Cc1ccc(S(=O)(=O)CC(=O)N2CC3(CCCN3C(=O)c3ccc(B(O)O)cc3)C2)cc1 1843010821 HUOHANWSWHYZLO-UHFFFAOYSA-N 456.329 -0.034 50 20 JBGD Cn1nc(Br)c2c(=O)n(CC(=O)OCC(=O)NNC(=O)c3ccccc3)cnc21 727224152 XANHRMGNGJGTRG-UHFFFAOYSA-N 463.248 -0.103 50 20 JBGD O=C(COC(=O)CCNS(=O)(=O)c1ccccc1)NNC(=O)[C@H]1COc2ccccc2O1 849199502 UOARGFMALUONEA-QGZVFWFLSA-N 463.468 -0.114 50 20 JBGD CC(C)N(C)S(=O)(=O)c1ccc(F)c(C(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)c1 919887286 ZGZHYGMBTNCEBA-NSHDSACASA-N 450.514 -0.014 50 20 JBGD Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)s1 919889443 MDCUVYOUEDYCLN-NEPJUHHUSA-N 450.564 -0.273 50 20 JBGD Cc1nn(-c2ccc(S(N)(=O)=O)cc2)c(C)c1CCC(=O)NNC(=O)C(=O)NC(C)C 920304534 PEBGGSKGOBRQGW-UHFFFAOYSA-N 450.521 -0.259 50 20 JBGD CN(C)N(C(=O)CCSCCC(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C)[C@H]1CCS(=O)(=O)C1 1344429423 IGXHKHQRQPMQJI-HOTGVXAUSA-N 498.693 -0.516 50 20 JBGD Cc1nnc(CCC(=O)N2CCO[C@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)s1 1779029444 XLWKAJQSGBSKRH-HXUWFJFHSA-N 459.532 -0.079 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)COc1cccnn1)C2 1779375804 SZBBOSCFUABSFF-VGOFRKELSA-N 469.502 -0.318 50 20 JBGD Cn1nc(C(F)(F)F)cc1C(=O)N1CC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1779655666 VTHNGEDEMKOMEB-IBGZPJMESA-N 466.225 -0.124 50 20 JBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(=O)n3[nH]nnc3n1)C2)[C@H](F)Br 1780773210 GURXBFHJBHSAEU-RSAASHCRSA-N 472.275 -0.369 50 20 JBGD CS(=O)(=O)Cc1ncccc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21 1785680491 YQBFKFSFZSWZEW-CSFVBSKPSA-N 459.952 -0.181 50 20 JBGD CC[C@@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(=O)n4[nH]nnc4n3)C[C@@H]21 1790960890 BWFZWKCMJOUALO-KQXIARHKSA-N 468.312 -0.421 50 20 JBGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CSCN1C(=O)[C@@H]1CCC(=O)N1 1800337020 SECMKKGNAALQOB-CXKHLATESA-N 488.994 -0.990 50 20 JBGD CCS(=O)(=O)N[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1803508728 KKWSMOCZNBPTKC-MOXGXCLJSA-N 488.375 -0.591 50 20 JBGD CN1CCN(CC(=O)NC[C@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)CC1 1809601302 KSZBJFGYFISKHT-OFNKIYASSA-N 465.363 -0.672 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1810303925 XHUBRCYUJWMNLK-DYESRHJHSA-N 488.313 -0.607 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)Cn2ccncc2=O)[C@H]1c1cccnc1 1813073115 HKIQZMBUVPIAPR-JTSKRJEESA-N 455.519 -0.283 50 20 JBGD COC[C@@H](NC(C)=O)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCC(=O)NN(C)C)[nH]n1 1819613936 PNRQCTRTGJQELE-HZPDHXFCSA-N 451.528 -0.074 50 20 JBGD CCOC(=O)N[C@@H](O)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 1828760135 SWKBHGJUKXBTKB-MOPGFXCFSA-N 461.324 -0.336 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc([N+](=O)[O-])o1)CCO2 1829489241 BMBJORMWVIOJPC-LJQANCHMSA-N 453.452 -0.369 50 20 JBGD NC(=O)c1ccc(C(=O)N2CCC(N3CCC(NC(=O)c4ccc(B(O)O)cc4)CC3)CC2)cc1 1834800520 JOFIRFADYNEABA-UHFFFAOYSA-N 478.358 -0.036 50 20 JBGD O=C(CCN1C(=O)C=CC1=O)N1CCOC[C@@]2(C1)CN(C(=O)CCBr)CCO2 1834819575 RFUAHFODIGEOTR-GOSISDBHSA-N 458.309 -0.457 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CC(c3ccccc3)=NN1)CCO2 1839635393 RGVIOYDUDHYFNR-RCZVLFRGSA-N 492.341 -0.797 50 20 JBGD COc1cc2c(cc1OC)[C@H](CC(=O)NNS(=O)(=O)c1ccnn1C)N(S(C)(=O)=O)CC2 727351888 RCPMWDFAMIGXDA-AWEZNQCLSA-N 487.560 -0.304 50 20 JBGD Cn1c(CCC(=O)NNC(=O)N2CCOCC2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 745988353 YPXHLHKMIJRIAL-UHFFFAOYSA-N 480.547 -0.400 50 20 JBGD C[C@@H](Nc1cnccn1)C(=O)N1CC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1779058970 YOSKYUURBVAZKA-SPLOXXLWSA-N 454.491 -0.581 50 20 JBGD CN(CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc(O)nc(O)n1)CCO2)NC(=O)NCc1ccccc1 1780969974 PNTVZWNTDQWSOG-HSZRJFAPSA-N 499.528 -0.323 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)C[C@H](O)CNC(=O)OC(C)(C)C)C2)C1 1781356448 ZGRAPPAWUPHCCR-AOMKIAJQSA-N 485.582 -0.535 50 20 JBGD C[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1)NC(=O)OC(C)(C)C 1795738835 HUGKBPVFTKTNSZ-DFYYWFRZSA-N 475.351 -0.127 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1Cc3[nH]nc(C(F)(F)F)c3C1)C2)c1cccc(B(O)O)c1 1795741284 RXAHKXQZGUYYBU-FLTUCWPJSA-N 492.263 -0.274 50 20 JBGD CS(=O)(=O)Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(B(O)O)cc2)C3)cn1 1796538213 UVBZYVKTAKMLPD-ACDBMABISA-N 471.344 -0.128 50 20 JBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1sc3nccnc3c1N)C2 1797750687 OMPXHGKWABKHOM-QHBPRCKVSA-N 482.526 -0.211 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1cc(Cl)c(O)cc1O 1799444459 JEOMHDFKBRHGOK-DBWKPXFBSA-N 460.679 -0.052 50 20 JBGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCc3nc(O)nc(O)c3C1)C2 1800974134 MKNXCIXIZFLSDT-YLLRLKMBSA-N 454.911 -0.164 50 20 JBGD COC[C@H](NC(C)=O)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1 1817477049 XKAOYGGLPYOCJS-ROUUACIJSA-N 457.296 -0.454 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H](O)N2CCOCC2)n[nH]1 1819448767 DKXZEDBLYOUUAO-MGPUTAFESA-N 451.528 -0.575 50 20 JBGD O=C(NCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1)c1cccnc1 1832729486 GENYSDCYTCNEKV-MAUKXSAKSA-N 473.299 -0.042 50 20 JBGD C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1)c1ccc(O)cc1 1835931646 VRSYYGNOOSHKHE-XDHUDOTRSA-N 468.315 -0.054 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)[C@H](O)CCl)CC2)CC1)c1cc(=O)nc2cccnn12 1836100081 ZLZVXDPORFUBJB-QGZVFWFLSA-N 462.938 -0.126 50 20 JBGD C[C@](Cl)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nccnc3C(N)=O)C2)C1 1839153207 DBEYKPSPVNUXDN-ZWKOTPCHSA-N 460.318 -0.118 50 20 JBGD Cc1cccn2ncc(C(=O)N3CCO[C@]4(COCCN(C(=O)c5ccc(B(O)O)cc5)C4)C3)c12 1839611004 RPJNBKJWEDGUPB-DEOSSOPVSA-N 478.314 -0.294 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(CN(C(=O)COc3ccccc3F)CCO2)C1 1839969618 KNDOJRIZJIFPPI-HSZRJFAPSA-N 487.488 -0.027 50 20 JBGD COC(=O)[C@@H]1CCC[C@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)C1 1840145723 PAZKMGZINXYIIU-RGZWJVDOSA-N 488.346 -0.584 50 20 JBGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1 1840155723 HAKFNQHSNOFLOZ-KUHUBIRLSA-N 472.882 -0.533 50 20 JBGD CN[C@H](CC(=O)N1CCCC12CN(C(=O)CN(C)NC(=O)NCc1ccccc1)C2)C(=O)O 1842952377 PYQCKVWRMHDNSF-QGZVFWFLSA-N 460.535 -0.401 50 20 JBGD C[C@@H](NC(=O)c1ccccc1)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779035671 LDMAFZNHPSDLTF-VOIUYBSRSA-N 480.525 -0.053 50 20 JBGD COCCOCC(=O)N1CCO[C@@]2(CCN(C(=O)CN(C)NC(=O)NCc3ccccc3)C2)C1 1780968748 DWWSJSKXDFZHRK-HSZRJFAPSA-N 477.562 -0.175 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1ccc(O)c([N+](=O)[O-])c1 1790023437 KIIRMYOBIFDKFP-KNBMTAEXSA-N 469.259 -0.113 50 20 JBGD COc1cc(N2CCC(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)[C@@H](O)CCl)CC2)ncn1 1792975617 WOJYJTPXEQIGEW-RCJHGTSTSA-N 467.954 -0.109 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1cncn1-c1ccncc1 1794464728 XLOYYUIKPCRNNC-UPHUGPLXSA-N 461.287 -0.536 50 20 JBGD CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795736831 KCDZWJHXMPLOHO-UKBAYJJMSA-N 475.351 -0.127 50 20 JBGD C[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1)N1CSCSC1 1795740354 WXCMBPYTUCQOCF-SCNOPHJPSA-N 465.406 -0.387 50 20 JBGD C[C@@H]1Oc2ccc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)c3cnccc3C(=O)NN)cc2NC1=O 1797753221 ZJXAINXNZVGCQF-DTNKQSLVSA-N 494.508 -0.079 50 20 JBGD CN(CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnnn1C)C2)NC(=O)NCc1ccccc1 1799095451 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CNS(=O)(=O)c1cccc(CNC(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)c1 916486085 WRASIPULKLDLRT-UHFFFAOYSA-N 497.603 -0.248 50 20 JBGD CNC(=O)CN1CCC(NC(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)CC1 916519013 XWYWMFLRTQAAOX-UHFFFAOYSA-N 466.564 -0.375 50 20 JBGD CCn1cnc2c1c(=O)n(CC(=O)NNC(=O)CCN1CCOC1=O)c(=O)n2Cc1ccccc1 919842521 IAWSUPJARLLBBP-UHFFFAOYSA-N 483.485 -0.582 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(N4CCOCC4)cn3)C[C@@H]21)c1ccc(B(O)O)cc1 1786980247 ZPNXNVUIPLVHLH-HARLFGEKSA-N 494.357 -0.495 50 20 JBGD C[C@@H](Nc1cnccn1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786984254 VFTMXISNDZLQEI-XIVBQZFQSA-N 453.308 -0.750 50 20 JBGD COc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cnccc4C(=O)NN)[C@H]3C2)n(C)n1 1788611518 IFDWVIFOQKLRHD-NUTKFTJISA-N 457.491 -0.666 50 20 JBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCN1C(=O)OC(C)(C)C 1793632313 LZSHBLJCUWXPEA-YYAJDYIMSA-N 467.567 -0.042 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1ncn(-c2ccccc2)n1 1796539960 YIFNCSQJNOKPMU-XEMDLRDOSA-N 461.287 -0.536 50 20 JBGD N#Cc1ccc2[nH]nc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)c3cnccc3C(=O)NN)C4)c2c1 1799884338 SOJMDFJXBGUCMT-HBCWATKFSA-N 474.481 -0.050 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)n1cnnn1 1801437992 MUQXSWRVMFLLIX-GNTLTTKYSA-N 473.446 -0.029 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@H](CNC(=O)c2cc(O)nc(O)n2)[C@H]1c1cccnc1 1808303751 SCJMGUHXJZQAIR-SCLBCKFNSA-N 478.469 -0.085 50 20 JBGD CC(=O)N(C)[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1808430506 YOAMAEPBDZARJN-VMRPVKRXSA-N 452.320 -0.052 50 20 JBGD COC[C@H](NC(C)=O)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CCC(=O)NN(C)C)CC2 1820197712 PPVCLPWHBYEVCJ-JSGCOSHPSA-N 454.553 -0.421 50 20 JBGD CCNC(=S)NCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)CBr)CCO2 1830544282 TWNOUYJOJQQEOE-DYVFJYSZSA-N 465.414 -0.042 50 20 JBGD CC1CCN(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)CC1 1831106057 WEIIOQNYVXNRBA-QHCPKHFHSA-N 459.352 -0.832 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1)c1cnc(OCF)cn1 1833989484 QMXVZNOKFMTOEZ-UHFFFAOYSA-N 485.325 -0.039 50 20 JBGD C[C@@](Cl)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNCP(=O)(O)O)C2)C1 1839151842 FNJPRLMQWWGEEM-HUUCEWRRSA-N 462.267 -0.596 50 20 JBGD O=C1CC[C@@H](C(=O)N2CSC[C@@H]2C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](F)Cl)C3)C2)N1 1839744376 JDBBSMJDPVJAHN-QPWUGHHJSA-N 492.957 -0.843 50 20 JBGD O=C(COc1ccccc1F)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1839968948 OMUKASHFLGNDLD-HSZRJFAPSA-N 472.278 -0.346 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1840186703 CUQHKAFSZBIDAO-HSZRJFAPSA-N 473.530 -0.234 50 20 JBGD CCOC(=O)N1CCC(C(=O)N2CCOC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)CC1 1840187388 WTBAIWFVKVZISB-QHCPKHFHSA-N 497.593 -0.316 50 20 JBGD CCOC(CC(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1)OCC 1840282323 LDFBYRLJJLRZHJ-OAQYLSRUSA-N 458.556 -0.395 50 20 JBGD CC(=O)C(=O)N1CC2(CCCN2C(=O)[C@H](Cc2ccc(B(O)O)cc2)NC(=O)OC(C)(C)C)C1 1843428710 LRKMZCJBXKTTCM-SFHVURJKSA-N 473.335 -0.405 50 20 JBGD C[C@@H](Br)C(=O)N1CCCC12CN(C(=O)Cn1cnc3c1c(=O)n(C)c(=O)n3C)C2 1846175541 FKMVJKWWPZFWTD-LLVKDONJSA-N 467.324 -0.580 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C[C@@H]1NC(=O)NC1=O 1848129527 IRIHZGMDCNDKEP-KKUMJFAQSA-N 459.415 -0.066 50 20 JBGD CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 732308307 WWWYSOSEUDLCNL-DZGCQCFKSA-N 463.603 -0.023 50 20 JBGD CC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 919886309 VKFYNWDHQCZOIK-OAHLLOKOSA-N 474.561 -0.193 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)c3cc4ncccn4n3)C2)C1 1778466454 LJRZYKJPYJGJSQ-NRFANRHFSA-N 450.459 -0.515 50 20 JBGD COc1ccc([N+](=O)[O-])c(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)n1 1779030843 XXZQPPDKJUUXMR-OAQYLSRUSA-N 485.457 -0.246 50 20 JBGD C[C@@H](CBr)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(=O)n4[nH]nnc4n3)C[C@@H]21 1783965761 POTYJWWTIRKOEV-ZPFDUUQYSA-N 468.312 -0.563 50 20 JBGD C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C(C)=N/NC(=O)c3ccc[nH]3)[C@H]2C1 1787507263 MWSNIFPZUKHSGX-JNCJAABESA-N 470.530 -0.042 50 20 JBGD COCc1oncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1 1788610243 MBVQKVMAYNXWDC-ZLIFDBKOSA-N 458.475 -0.273 50 20 JBGD CC(C)(C)OC(=O)N1CC(=O)C[C@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2 1793087903 RTFYDAZQYVMUPP-URLPEUOOSA-N 459.927 -0.246 50 20 JBGD Cc1nn2cc(CC(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)c3ccc(B(O)O)cc3)C4)nc2s1 1793662724 ZLGVQEDXCSADSU-CCWDJLKJSA-N 469.332 -0.775 50 20 JBGD CC(=O)N/C(C)=C/C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN(C)NC(=O)NCc1ccccc1 1799097192 HXSPWUDTYSEVGT-MTVBBOLGSA-N 486.573 -0.038 50 20 JBGD Cc1ccc(C(=O)NCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)cc1 1801014429 QIAAJKMCZTZRSY-OPMZPASUSA-N 459.547 -0.313 50 20 JBGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1)c1cc(=O)n2[nH]cnc2n1 1807354262 RTYZFEQXGPUMKG-JXFKEZNVSA-N 487.285 -0.874 50 20 JBGD CC[C@H](NC(N)=O)C(=O)NC[C@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1808231628 ZNCAJRRNSQOXCF-JLSDUUJJSA-N 468.518 -0.153 50 20 JBGD O=C(CNC(=O)C(F)(F)F)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1813096248 AJZBJTQZJJXZGI-CRAIPNDOSA-N 478.236 -0.241 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)C[C@H]2NC(=O)NC2=O)CC1 1825077089 LCEOCTAHIPZVKO-CVEARBPZSA-N 450.540 -0.423 50 20 JBGD C[C@@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCS(=O)(=O)CC3)C2)C1 1830535658 RTFHFRXKHDYSNN-MAUKXSAKSA-N 496.424 -0.796 50 20 JBGD Cc1cn2c(=O)c(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)[C@@H](O)CCl)CCO4)cnc2s1 1830727659 APBBMCJOIJTLLP-IFXJQAMLSA-N 470.935 -0.266 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)C1(c3ccc(O)cc3)CC1)CCO2 1830808495 FWCQGZLNEOWZDB-DEOSSOPVSA-N 480.326 -0.126 50 20 JBGD O=C([C@H](O)CCl)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CC(=O)N(C3CCCC3)C1)CCO2 1832353774 KMGKZUNRQCESHD-CEQIKUNHSA-N 457.955 -0.166 50 20 JBGD CC[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1)N(CC)CC 1835927046 CCBGMDQFOAYEPK-REWPJTCUSA-N 461.368 -0.443 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)c3cnn4ccccc34)C2)C1 1835937393 STBAHWVWYOOIPI-HSZRJFAPSA-N 464.287 -0.602 50 20 JBGD Cc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)n(C(F)F)n1 1835938513 XCJZHVBKXVOBMS-OAQYLSRUSA-N 478.261 -0.350 50 20 JBGD O=C(CCN1C(=O)C=CC1=O)N1CCC(OC2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1836995630 SBAAXKGPAQGCIL-UHFFFAOYSA-N 483.330 -0.706 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)c1c(F)cncc1F)CCO2 1838165068 VEFPCAYGZWAPKG-NRFANRHFSA-N 461.230 -0.577 50 20 JBGD Cn1ncc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)c1Cl 1838307907 CBLWOGXGRLNJRQ-FQEVSTJZSA-N 477.909 -0.544 50 20 JBGD O=C(Cc1cccc(F)c1F)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1839981847 WYVFFGBGZLPHSB-HSZRJFAPSA-N 474.269 -0.043 50 20 JBGD COC(=O)[C@@H]1CCC[C@@H](C(=O)N2CCO[C@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)C1 1840148306 OYISRVMEKNKTLR-PNCHPQGNSA-N 482.578 -0.205 50 20 JBGD Cc1nn(C)c(C)c1C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840182528 MSNSJSUILVCGAX-NRFANRHFSA-N 450.540 -0.520 50 20 JBGD Cc1cnn([C@@H](C)C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)c1 1840403398 DTJRPEVVRCACGS-JTSKRJEESA-N 456.308 -0.797 50 20 JBGD CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)OCC(=O)NNC(=O)Cc2nc(C)cs2)cc1 760688167 CFXMQRGTCYBLKQ-UHFFFAOYSA-N 497.555 -0.036 50 20 JBGD CC(=O)c1ccc(S(=O)(=O)NCC(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)cc1 913573086 SIGFSUFOWLPBJM-UHFFFAOYSA-N 457.468 -0.124 50 20 JBGD CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]2C1 1784090292 XWOHVZGXUKEKSQ-JNNCMOEMSA-N 475.970 -0.064 50 20 JBGD CN(CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1)C(=O)OC(C)(C)C 1786979378 BQCBPYPVUMUGCY-WDSOQIARSA-N 475.351 -0.173 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1ccc2c(c1)CNC2=O 1788442923 QXNGSOJHVVIGJG-NDXORKPFSA-N 463.299 -0.483 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1nc(O)n2c1CCCC2 1788789431 IRDUMXBAGYAJIS-IEZWGBDMSA-N 468.319 -0.488 50 20 JBGD CN(CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)n[nH]1)NC(=O)NCc1ccccc1 1795691753 KZWMXJGZTDAQRV-CWPLJXCYSA-N 471.518 -0.335 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1 1796189136 BGLFIJNTYHZOHA-MHORFTMASA-N 461.324 -0.496 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](F)Cl 1796369791 FCHJWSXIWXIRJT-WTNWGCMGSA-N 450.895 -0.121 50 20 JBGD COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)n1 1796719218 VDSSNFFNPWDOGU-ZSBFGKGUSA-N 470.247 -0.805 50 20 JBGD CC[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(=O)n3[nH]cnc3n1)C2 1800640002 SDNYTYRVYGFQAG-FBKDDSFISA-N 453.297 -0.206 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H](CNC(=O)[C@@H]2C[C@H](O)CN2)[C@H]1c1cccnc1 1807694835 GIWKOBOVPBXVGT-BHMFRREZSA-N 467.530 -0.056 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@H]1CCN(C(=O)CN2CC(=O)NC2=O)[C@@H]1c1cccnc1 1808410769 XKMNYWBOQACVMA-KFTGWRNYSA-N 494.512 -0.227 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1CCN(C(=O)CCc2nc(N)n[nH]2)[C@@H]1c1cccnc1 1810303300 SZGHACZVJHOFJR-IFXJQAMLSA-N 478.517 -0.267 50 20 JBGD CCS(=O)(=O)N[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1815162697 KZQBYPTVLXRGJO-GUYCJALGSA-N 477.352 -0.277 50 20 JBGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)[C@H](O)N2CCOCC2)[nH]n1)c1ccc(B(O)O)cc1 1817472545 WNVIKSRDAQSVOX-PXNSSMCTSA-N 457.296 -0.954 50 20 JBGD COc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1830231073 MNKLOXIEVOBRDB-DEOSSOPVSA-N 499.524 -0.157 50 20 JBGD COC(=O)CCC(=O)NC1CCN(C2CCN(C(=O)c3cnccc3C(=O)NN)CC2)CC1 1834433758 YPSRUEYLQKRHLD-UHFFFAOYSA-N 460.535 -0.177 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)c3cc(O)ncn3)CC2)CC1)c1cccc(B(O)O)c1 1834800151 XZSCOYSESGMANV-UHFFFAOYSA-N 453.308 -0.639 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)c3cccnc3S)C2)C1 1835926697 ZCENBCMMVBMQQK-OAQYLSRUSA-N 457.317 -0.566 50 20 JBGD COc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)ccc1O 1835939153 GWBYYFVUIJMESX-QHCPKHFHSA-N 470.287 -0.536 50 20 JBGD CCOc1cnc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)cn1 1837456034 AYNBVAUIASNTSP-QFIPXVFZSA-N 485.501 -0.742 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)C3CCC(O)CC3)C2)C1 1837461566 YROCQWFDBHHWRH-LGHDPPOTSA-N 461.519 -0.694 50 20 JBGD CN(CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccnn1)CCO2)NC(=O)NCc1ccccc1 1837876207 JHTWTGGSQHHOON-XMMPIXPASA-N 497.556 -0.107 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)c1ccncc1Cl)CCO2 1837885048 PFXABZOSJVWMJH-NRFANRHFSA-N 459.695 -0.201 50 20 JBGD C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1839175025 KCMJGONYLVYJGZ-QFIPXVFZSA-N 475.502 -0.736 50 20 JBGD CC(=O)Nc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)cc1O 1839474282 SSDORXOKJHAPFW-HSZRJFAPSA-N 491.545 -0.206 50 20 JBGD COc1cc2c(cc1OC)[C@@H](CC(=O)NNC(=O)CCn1cncn1)N(S(C)(=O)=O)CC2 818038703 HOBXCHIFMRFQOD-OAHLLOKOSA-N 466.520 -0.218 50 20 JBGD CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)o1 915141532 JGEZZWHGSFNDQM-NWDGAFQWSA-N 477.517 -0.809 50 20 JBGD CC[C@@H](NC(N)=O)C(=O)N1CCO[C@]2(CCN(C(=O)CN(C)NC(=O)NCc3ccccc3)C2)C1 1780968892 GLSYAJQOHAJMCY-JPYJTQIMSA-N 489.577 -0.391 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CN2C(=O)CSC2=S)C1 1783245761 CLSGNCJJMFZKOK-JLTOFOAXSA-N 485.632 -0.266 50 20 JBGD NC[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1ccccc1 1786922144 RBAWHPDOPWNLLF-QESAQDPVSA-N 451.332 -0.298 50 20 JBGD CC(=O)N[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1)C(C)(C)C 1788607753 FBLXNCSITWEBCW-QZHFEQFPSA-N 474.562 -0.171 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1cc(=O)c2ccccc2o1 1792762734 PSYSNGCQWNGPPQ-MFKICJERSA-N 462.267 -0.010 50 20 JBGD O=C(CCBr)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CS(=O)(=O)N1CCCC1)C2 1795112995 UNOWIMXJIIFJGC-YWVIFJGQSA-N 452.371 -0.213 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C[C@@]13C(=O)Nc1ccccc13)C2)c1cccc(B(O)O)c1 1795741202 MSCOXZUGKSCBJW-OWFGBXLGSA-N 475.310 -0.520 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)N1CCOCC1 1797803955 WNDYTBXXIOOKAU-YJHYTUISSA-N 492.485 -0.626 50 20 JBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(S(C)(=O)=O)c(F)c1)C2 1801014157 IWNAUSUBVWSKLP-YVWYUNDQSA-N 484.550 -0.195 50 20 JBGD O=C(NC[C@H]1CCN(C(=O)c2cccc(=O)n2O)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807362317 JZTHFXOGOIALQJ-DYESRHJHSA-N 462.271 -0.206 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)[C@H](O)N2CCOCC2)[C@@H]1c1cccnc1 1810357438 GFIYXQSPDCTTSI-AGHHOFFYSA-N 462.551 -0.889 50 20 JBGD O=C(Cn1ccccc1=O)N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815354617 MLTLNNAKXFBCFZ-HNNXBMFYSA-N 452.301 -0.089 50 20 JBGD O=C(N[C@H]1CCc2nc(NC(=O)c3n[nH]cc3[N+](=O)[O-])sc2C1)c1ccc(B(O)O)cc1 1820298358 NMIYOJKUKJDIPX-NSHDSACASA-N 456.249 -0.006 50 20 JBGD COc1ncc(Cl)cc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1829584150 ITFCCLMAVFHNOS-JOCHJYFZSA-N 489.721 -0.193 50 20 JBGD CC(C)(C)OC(=O)NCCOCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830726856 USKMPJOTGLIHDT-IERDGZPVSA-N 493.985 -0.026 50 20 JBGD O=C1COc2ccc(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)[C@H](O)CCl)CCO4)cc2N1 1830731905 RWBUTBZUSJNHRS-FOIQADDNSA-N 453.879 -0.313 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(CN(C(=O)C[C@@H]3CCCCO3)CCO2)C1 1832344806 QXWUHDVXLNCFLT-AOMKIAJQSA-N 461.519 -0.286 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cncn1-c1ccncc1)CCO2 1833656387 BKYWEMJPJURREY-QHCPKHFHSA-N 485.545 -0.290 50 20 JBGD C[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc4n(n3)CCNC4=O)CCO2)C1 1834564597 DBOIIIJPJGSBNC-KPZWWZAWSA-N 470.324 -0.520 50 20 JBGD COC[C@@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)c3cc(=O)n4[nH]cnc4n3)CC2)CC1 1834797155 BVGCYLIILUOZII-OAHLLOKOSA-N 465.942 -0.143 50 20 JBGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](CCN)NC(=O)OC(C)(C)C)CCO2 1835642530 QGRRTOMKLDBMSQ-GCKMJXCFSA-N 493.001 -0.061 50 20 JBGD Cc1nn2cc(CC(=O)N3CCOC[C@]4(C3)CN(C(=O)c3ccc(B(O)O)cc3)CCO4)nc2s1 1835927016 BKSSHJSFTVLGRN-QFIPXVFZSA-N 499.358 -0.908 50 20 JBGD C[C@@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835933725 BGKBRFHNTIMYQS-LIRRHRJNSA-N 469.141 -0.533 50 20 JBGD Cc1nn(C)c(C)c1C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835934336 VVRUWSFOJGNUPB-QFIPXVFZSA-N 456.308 -0.899 50 20 JBGD Cc1cccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)n1 1835934337 VZVWOUJFQPQVGH-HSZRJFAPSA-N 453.304 -0.617 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)c3onc4ccccc34)C2)C1 1835939672 XKMGIDAHVHVLCW-QHCPKHFHSA-N 465.271 -0.109 50 20 JBGD C[C@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3nc(N)n[nH]3)CCO2)C1 1837268353 KDYDVWOHGUCUOP-PXAZEXFGSA-N 459.345 -0.193 50 20 JBGD Nc1n[nH]c(CCC(=O)N2CCC(OC3CCN(C(=O)c4ccc(B(O)O)cc4)CC3)CC2)n1 1837919095 DBPXXCVUNTZQRB-UHFFFAOYSA-N 470.339 -0.688 50 20 JBGD CC(C)(C)c1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)[nH]n1 1837988891 OETDLZKRAZOIDS-QHCPKHFHSA-N 470.335 -0.229 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)c1[nH]cnc1-c1cccnc1)CCO2 1838495710 AKMJRYGXBKWQRP-DEOSSOPVSA-N 491.313 -0.465 50 20 JBGD C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)CCBr)C2)C1)N1CCN(C)CC1 1839101641 NOZDOPMWCXBWAA-APWZRJJASA-N 461.401 -0.136 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3N(C)C)C2)C1 1840183725 VYGVCVPXSDXTCV-QFIPXVFZSA-N 462.551 -0.409 50 20 JBGD COC[C@@H](Cl)C(=O)N1CC2(CCCN2C(=O)[C@H]2CSCN2C(=O)[C@@H]2CCC(=O)N2)C1 1845874644 WFVLCVZOGFHNCR-HZSPNIEDSA-N 458.968 -0.376 50 20 JBGD COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cc1 916041618 RCGBVPNLTQOXFN-HNNXBMFYSA-N 477.561 -0.834 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)CCC(=O)N3CCCC3)CCO2)C1 1779029420 XFLQIKVTDGQIQD-JOCHJYFZSA-N 458.519 -0.469 50 20 JBGD C[C@@H](Nc1cnccn1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2 1779388917 GQQSQTKIPDBTMH-ZDWFVDTJSA-N 467.335 -0.216 50 20 JBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2)c1cnn2c1OCCC2 1781260817 VPVBYPODBKOTEP-AUSIDOKSSA-N 468.319 -0.213 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)C2)C1 1781356452 ZGRAPPAWUPHCCR-OPAMFIHVSA-N 485.582 -0.535 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1787509038 QKWUGVXNQREBOJ-UGIPHMICSA-N 481.318 -0.906 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1cc(Cl)cc2nn[nH]c12 1798616540 FCXKIYXSOSYOIN-IVWMJMPLSA-N 469.694 -0.192 50 20 JBGD O=C(NCC(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1)c1cccnc1 1807369702 RZZHKGCGORSVQH-AUSIDOKSSA-N 487.325 -0.094 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)CCS(C)(=O)=O)[C@@H]1c1cccnc1 1813073834 LYSFYHDOCSIBFO-OXQOHEQNSA-N 453.565 -0.105 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@H](CNC(=O)CN2C(=O)C=CC2=O)[C@H]1c1cccnc1 1813175156 NRVHHZKMNRXULX-YCRPNKLZSA-N 477.481 -0.675 50 20 JBGD Cn1c(=O)c2c(ncn2CC(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@H](O)CCl)n[nH]2)n(C)c1=O 1814868314 YQBDVVOKHUSDHB-CHWSQXEVSA-N 492.924 -0.551 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCC([C@H]2CCCCN2C(=O)CC[C@@H](N)C(N)=O)CC1 1826934204 VBZHTMHEUKSJMS-QZTJIDSGSA-N 459.551 -0.489 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCC(F)(F)C1)CCO2 1829650324 ORESNKNWHBOXMK-UZLBHIALSA-N 452.263 -0.128 50 20 JBGD C[C@@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(O)nc3O)C2)C1 1830538357 CVLXXASKNJIRAP-GTNSWQLSSA-N 459.297 -0.011 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CCOC[C@]2(CN(C(=O)CS(C)(=O)=O)CCO2)C1 1835251759 ZJQBATUGKXKKIY-LIRRHRJNSA-N 497.998 -0.381 50 20 JBGD C[C@@H](Nc1cccnc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1835686688 LHCDFYGRYLQUAN-HXOBKFHXSA-N 468.319 -0.668 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(Cl)nc3)C2)C1 1837456871 RIRQNDUJRNSXPW-FQEVSTJZSA-N 475.893 -0.488 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3Cc4ccccc4O3)C2)C1 1837458806 DJVVWINMTOWKKT-HYBUGGRVSA-N 481.509 -0.241 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4cncn4c3)C2)C1 1840184568 VPULBJPECQDZAE-QFIPXVFZSA-N 458.519 -0.223 50 20 JBGD CC[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)CN3C(=O)C=CC3=O)CCO2)C1 1840264032 FHFLDLSBZMRQLI-ACJLOTCBSA-N 458.309 -0.459 50 20 JBGD Cn1c(=O)c2c(CC(=O)N3CC4(CCCN4C(=O)[C@@H](O)CCl)C3)csc2n(C)c1=O 1841352553 WCWZGTQEGFQCOT-LBPRGKRZSA-N 454.936 -0.356 50 20 JBGD O=C(c1cccc(N2CCOCC2)n1)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843011278 NTHYVQPNYAIKAF-UHFFFAOYSA-N 450.304 -0.271 50 20 JBGD CC[C@@H](O)C(=O)N1CC2(CCCN2C(=O)[C@H](Cc2ccc(B(O)O)cc2)NC(=O)OC(C)(C)C)C1 1843428598 CLXGHDOOPOBTRJ-RBUKOAKNSA-N 489.378 -0.224 50 20 JBGD CC[C@H](Br)C(=O)N1CCCC12CN(C(=O)Cn1cnc3c1c(=O)n(C)c(=O)n3C)C2 1846069263 RGHPTCMXQXJJTH-LBPRGKRZSA-N 481.351 -0.189 50 20 JBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1 915884063 QOIYEQZAUQQGKQ-UHFFFAOYSA-N 483.572 -0.164 50 20 JBGD Cn1c(=O)n(CC(=O)N2CC[C@@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)c2ccccc21 1778163726 FEQVAQKAHUTATL-XMMPIXPASA-N 478.314 -0.837 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cn1ccccc1=O)C2 1779373425 QJBKTBBYWLYRPH-WZONZLPQSA-N 468.514 -0.326 50 20 JBGD C[C@@](O)(CC(=O)O)CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnccc2C(=O)NN)C1 1779374701 DDXTWOTZVYVLAX-URZJWIJPSA-N 477.518 -0.572 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](O)NC(=O)OC(C)(C)C)C2 1782213507 WSLFABSJRMUBAM-FXCLAUTBSA-N 485.582 -0.284 50 20 JBGD CC(=O)N[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21)C(C)(C)C 1784314820 NVOOMOLEWFUEHX-QZHFEQFPSA-N 474.562 -0.171 50 20 JBGD 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1834798029 WHDNSYGQURZEJI-UHFFFAOYSA-N 453.304 -0.181 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)c3cncn3-c3ccncc3)C2)C1 1835929194 GRVPMYHBKVUKCB-XMMPIXPASA-N 491.313 -0.669 50 20 JBGD O=C(C[C@@H]1CNc2ccccc2O1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835930256 FUDVSMYUERXKPE-NLFFAJNJSA-N 495.341 -0.300 50 20 JBGD COCc1c[nH]c(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)c1 1835931724 YVUFFWKXPBQYRG-JOCHJYFZSA-N 457.292 -0.775 50 20 JBGD COC(=O)CCCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835933836 GZPDQYAWHBFOAM-HSZRJFAPSA-N 476.335 -0.440 50 20 JBGD O=Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)s1 1835943501 QFDAXHLSQYCYEI-NRFANRHFSA-N 458.301 -0.376 50 20 JBGD Cc1cnc2c(C(=O)N3CCO[C@]4(COCCN(C(=O)c5cccc(B(O)O)c5)C4)C3)cnn2c1 1836946810 DAPATLHHWITXFQ-QHCPKHFHSA-N 479.302 -0.899 50 20 JBGD Cc1noc(CC(=O)N2CCC(OC3CCN(C(=O)c4cccc(B(O)O)c4)CC3)CC2)n1 1837920961 MWTDPYRHONSKDE-UHFFFAOYSA-N 456.308 -0.087 50 20 JBGD 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C[C@H](Nc1cccnc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1835686689 LHCDFYGRYLQUAN-SBUREZEXSA-N 468.319 -0.668 50 20 JBGD C[C@@H](Nc1cccnc1)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835928406 OEYGGFJOFSQBGS-HXOBKFHXSA-N 468.319 -0.668 50 20 JBGD Nc1c(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)sc2nccnc12 1835928787 ZOBVHQDTEAWPRL-QFIPXVFZSA-N 497.342 -0.663 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)c3ccn(-c4ccccc4)n3)C2)C1 1835931302 MBXPVYMCWLWKCO-VWLOTQADSA-N 490.325 -0.064 50 20 JBGD COc1ccccc1OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835933911 GMSSYQNPJBZJLI-DEOSSOPVSA-N 484.314 -0.476 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1835939598 UXQZHOUKWCTKBV-RHSMWYFYSA-N 459.077 -0.873 50 20 JBGD O=C(Cc1cccc(F)c1F)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835939807 JCKINZIADQTOJT-HSZRJFAPSA-N 474.269 -0.043 50 20 JBGD O=C(C[C@@H]1CNc2ccccc2O1)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1837351405 NHLSXIIHFYKJPC-NLFFAJNJSA-N 495.341 -0.300 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@@]3(F)Cl)C2)C1 1837460528 HCGPMMAWXCKVBE-KYNGSXCRSA-N 455.874 -0.320 50 20 JBGD Cc1cc(C(=O)NCC(=O)N2CCO[C@@]3(COCCN(C(=O)CCBr)C3)C2)no1 1837547231 WTUGKTUXPBLPRT-GOSISDBHSA-N 473.324 -0.046 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCC(OC2CCN(C(=O)CC[C@H](N)C(N)=O)CC2)CC1 1837880543 AGRMSWOWJWRTOJ-FLOSOGMCSA-N 489.577 -0.288 50 20 JBGD O=C(CSc1nc[nH]n1)N1CCC(OC2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1837922127 OQIWDWPDKXYUEB-UHFFFAOYSA-N 473.364 -0.111 50 20 JBGD COc1nc(C)ccc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1838175245 OHQDPJTXOSTBTN-HSZRJFAPSA-N 484.513 -0.219 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCC(OC2CCN(C(=O)CCn3ccnn3)CC2)CC1 1838395403 MGEYVJJPDGYOKV-UHFFFAOYSA-N 470.534 -0.021 50 20 JBGD O=C(NNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1)c1cnn[nH]1 729456316 BWFBPBKPXKKJIJ-UHFFFAOYSA-N 463.520 -0.109 50 20 JBGD O=C(NCCCN1C(=O)CNC1=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 731117377 HMIQDPMTGHZSRA-UHFFFAOYSA-N 452.493 -0.643 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnn4cccnc34)C2)C1 1778447124 ZJSHJPTULJOSTR-OAQYLSRUSA-N 450.459 -0.515 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(CCN(C(=O)COC(=O)C(F)(F)F)C2)C1 1778892596 FOXQGFRGGWQXEQ-QGZVFWFLSA-N 459.381 -0.766 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCC(=O)NC3)C[C@@H]21 1787507017 FBKOAOPFCBVLJY-IRSIXNSJSA-N 458.519 -0.374 50 20 JBGD CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1793630234 RRMAOANUMKLFIZ-UKBAYJJMSA-N 473.335 -0.421 50 20 JBGD CCS(=O)(=O)N[C@H](C)C(=O)N1CCC2(CCCN(C(=O)c3ccc(B(O)O)cc3)C2)CC1 1809969011 LLFVYYVCIIKIQG-MRXNPFEDSA-N 465.381 -0.461 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H](CNC(=O)CCc2nc(N)n[nH]2)[C@H]1c1cccnc1 1810149824 BUFUECHJPMQQEJ-AUUYWEPGSA-N 478.517 -0.267 50 20 JBGD CN(C)NC(=O)CCC(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(=O)n4[nH]cnc4n3)sc2C1 1815333504 OMYQGEGCUAQJAY-SNVBAGLBSA-N 473.519 -0.527 50 20 JBGD C[C@H](C(=O)N[C@@H]1CCc2nc(NC(=O)c3cnccc3C(=O)NN)sc2C1)n1cnnn1 1819801351 JECXDLYRJHERII-NXEZZACHSA-N 456.492 -0.385 50 20 JBGD CCS(=O)(=O)N[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 1824460721 UGRXQVNKBAVIQP-UZLBHIALSA-N 479.408 -0.073 50 20 JBGD O=C([C@H](O)CCl)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CC(=O)N(C3CCCC3)C1)CCO2 1832353775 KMGKZUNRQCESHD-LUQKVYGDSA-N 457.955 -0.166 50 20 JBGD C[C@](Cl)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCS(=O)(=O)CC3)CCO2)C1 1832487199 BFEGIJKQEABSOQ-ZWKOTPCHSA-N 486.418 -0.591 50 20 JBGD CC(=O)Nc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)n1 1833335600 SNTAGIBJFYLJAT-QHCPKHFHSA-N 482.302 -0.896 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(OC(F)F)cn1)CCO2 1833639710 ZGKSQVRQHINLKO-QFIPXVFZSA-N 491.256 -0.253 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(C=O)s3)CCO2)C1 1835944330 VVURHAPILAHKKK-NRFANRHFSA-N 473.511 -0.057 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCC(N2CCC(NC(=O)c3cc[n+]([O-])cc3)CC2)CC1 1836051998 GAQCJPPIGHJEFW-UHFFFAOYSA-N 467.530 -0.183 50 20 JBGD CCc1[nH]nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)c1Cl 1836227357 VRYWAHVAJJVDNC-OAQYLSRUSA-N 476.726 -0.311 50 20 JBGD C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1837399192 OAKKXIVIVYPFME-HTAPYJJXSA-N 461.519 -0.672 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3ncc(Cl)cn3)C2)C1 1837456138 CSRFRADAIWSZQJ-HXUWFJFHSA-N 475.893 -0.488 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)c1nnc(-c3ccccc3)o1)CCO2 1837535956 VKFPHTOYXDDJPC-XMMPIXPASA-N 492.297 -0.200 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1838528403 VGSXCJPOVKXLIB-OAQYLSRUSA-N 475.410 -0.322 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1nn[nH]c1C(F)(F)F)CCO2 1838766281 SJTWGHCIJGUXAS-GOSISDBHSA-N 498.422 -0.794 50 20 JBGD CCC(=O)C(=O)N1CCOC[C@@]2(CN(C(=O)CN(C)NC(=O)NCc3ccccc3)CCO2)C1 1839054110 HESYVMXKBMUWNG-HSZRJFAPSA-N 475.546 -0.232 50 20 JBGD O=C1CSc2ncc(C(=O)N3CCO[C@@]4(COCCN(C(=O)[C@H](O)CCl)C4)C3)cc2N1 1839576994 FPOPDSJEZIIKHB-KUHUBIRLSA-N 470.935 -0.205 50 20 JBGD CCNC(=S)NCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)Br)C2)C1 1839655537 DPCULHFROCMBHM-WBMJQRKESA-N 451.387 -0.290 50 20 JBGD COC(=O)[C@@H]1CCC[C@@H](C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)C1 1840145725 PAZKMGZINXYIIU-YJLYGGOZSA-N 488.346 -0.584 50 20 JBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCc4nc(O)nc(O)c4C3)C2)C1 1840150670 OURJNRFLVBCQKZ-CGSMKXTHSA-N 484.937 -0.297 50 20 JBGD CCC[C@@H](NC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1840853591 LJCUSKMINFPDNX-GCJKJVERSA-N 476.534 -0.940 50 20 JBGD CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)N1CC2(CCCN2C(=O)c2cnccc2C(=O)NN)C1 1844265365 VPRUOMZQHVONBU-PBHICJAKSA-N 488.545 -0.128 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC2(CCCN2C(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)C1 1845108797 SJSUJBSXKDLCOV-HOTGVXAUSA-N 467.567 -0.209 50 20 JBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNS(=O)(=O)c2cccc(-n3cnnn3)c2)cc1 743731218 XGWGIVXTVNXZSG-UHFFFAOYSA-N 465.517 -0.399 50 20 JBGD CC(C)Cn1cnc2c1c(=O)n(CC(=O)NNC(=O)CN1CCCC1=O)c(=O)n2Cc1ccccc1 849208573 DLGZHFOPSXHMKQ-UHFFFAOYSA-N 495.540 -0.166 50 20 JBGD Cc1ccn2c(=O)c(C(=O)N3CC[C@@]4(CN(C(=O)c5cccc(B(O)O)c5)CCO4)C3)cnc2c1 1777995278 KGARNDYFNPGFOA-DEOSSOPVSA-N 476.298 -0.560 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](O)N3CCOCC3)C2)C1 1779096679 WWOCXSOJSFTERP-UNMCSNQZSA-N 492.485 -0.386 50 20 JBGD COc1ccc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cnccc3C(=O)NN)C2)nn1 1779372324 DYVCJIWFXNVOPA-VGOFRKELSA-N 469.502 -0.075 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1cncn1-c1ccncc1 1785752199 MBAYIWNYDFJSOZ-XJABCFGWSA-N 475.314 -0.146 50 20 JBGD CCOC(=O)N1CCC(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)CC1 1786981947 HRKJKSMOTZWWAU-JBACZVJFSA-N 487.362 -0.172 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC(F)(F)C(=O)O)[C@H]2C1 1787437072 GKCIBAXQFUQJTA-BPNCWPANSA-N 455.418 -0.612 50 20 JBGD O=C(CC12CCCN1CCC2)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1789822717 VNCCSJDTMLDLKM-JBACZVJFSA-N 455.364 -0.022 50 20 JBGD COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1791236697 XXCYVTNRWWNDKT-RQUKQETFSA-N 470.331 -0.285 50 20 JBGD CC(C)(C)OC(=O)NC(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1793628263 FKDDBUIJXVLRLO-ALXJQNPVSA-N 475.351 -0.127 50 20 JBGD Cc1noc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CN(C)NC(=O)NCc2ccccc2)n1 1799094786 KSDFEYMHPZSBHD-OPMZPASUSA-N 485.545 -0.144 50 20 JBGD CN(CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccn(C)c1=O)C2)NC(=O)NCc1ccccc1 1799094905 IWMKESRKSXGUFR-HATOLVCRSA-N 496.568 -0.065 50 20 JBGD CN(CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncon1)C2)NC(=O)NCc1ccccc1 1799097617 QRNATTCUZCHSOF-ALXJQNPVSA-N 457.491 -0.381 50 20 JBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1CCC2(CC1)OCCO2 1800383172 PQPLZEILWFQYPF-XEMDLRDOSA-N 452.552 -0.118 50 20 JBGD O=C(NC[C@@H]1CCN(C(=O)Cn2ccncc2=O)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807365456 KBYTVYNWIMKSCU-PGRDOPGGSA-N 461.287 -0.662 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)c2nccnc2C(N)=O)[C@H]1c1cccnc1 1811189221 TWIXACGSZHEVLI-FOIQADDNSA-N 468.518 -0.337 50 20 JBGD C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1)C1(O)CCC1 1829741754 XDAXULQSORBSAJ-QVKFZJNVSA-N 461.519 -0.694 50 20 JBGD CC[C@@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN(C)NC(=O)NCc3ccccc3)C2)C1 1830524597 GKLRJFTYUHBHBO-AUSIDOKSSA-N 477.562 -0.440 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCC(N2CCC(NC(=O)Cc3cnccn3)CC2)CC1 1833372587 OXKXVTXVUYVXPG-UHFFFAOYSA-N 466.546 -0.097 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCC(N2CCC(NC(=O)[C@H]3CCC(=O)N3)CC2)CC1 1834587791 PUYIRQXKBKTEPI-PYNCTGKJSA-N 471.562 -0.029 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1)c1cnc2ncccn12 1835386422 ANHQXVKAPROFSS-UHFFFAOYSA-N 476.346 -0.092 50 20 JBGD CCOC(=O)c1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)ccn1 1835937955 CGWCTZUQTXPODB-XMMPIXPASA-N 497.313 -0.678 50 20 JBGD C[C@@H](C(=O)NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1)n1ccnn1 1836513628 IXGGFBQEUJFWQO-INIZCTEOSA-N 454.340 -0.596 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4n(n3)CCCC4)C2)C1 1837459485 RTUUXDQXUGJYOR-HSZRJFAPSA-N 483.529 -0.398 50 20 JBGD COC[C@@H](NC(C)=O)C(=O)N1CCC(OC2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1837921217 NDBLGDQQMFAYMQ-OAQYLSRUSA-N 475.351 -0.870 50 20 JBGD COCc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)c1 1838515772 ZQGOTIYYGDOTRH-QFIPXVFZSA-N 472.502 -0.457 50 20 JBGD COc1ccnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)c1OC 1838840226 BUIFERUQPFBOMW-HSZRJFAPSA-N 485.302 -0.838 50 20 JBGD C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](F)Br)CCO2)C1)[C@@H]1SC(=N)NC1=O 1839201452 XZCLNLGAFDNBAI-ZGNZKYAMSA-N 481.344 -0.064 50 20 JBGD CCC(=O)C(=O)N1CCO[C@]2(COCCN(C(=O)CN(C)NC(=O)NCc3ccccc3)C2)C1 1839831420 RNUZTLXCAAEJKD-QHCPKHFHSA-N 475.546 -0.232 50 20 JBGD O=C(Cc1ccc2c(c1)CCO2)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1839998251 KJXLUHFXXUZOGD-VWLOTQADSA-N 480.326 -0.386 50 20 JBGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CCNC(=O)c3ccc[nH]3)C2)C1 1840150317 IDTNXOXKHLSJLL-QRWLVFNGSA-N 456.927 -0.155 50 20 JBGD C[C@H](NC(=O)c1ccccc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1840901686 QLKQVMVXGUOVDS-BVZFJXPGSA-N 495.341 -0.745 50 20 JBGD Cn1cc(S(=O)(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)cc1C(N)=O 105830887 HNYUSPZFPZFPOK-UHFFFAOYSA-N 455.518 -0.468 50 20 JBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 729276083 WSYIHAZRXLXCSA-NEPJUHHUSA-N 450.514 -0.689 50 20 JBGD CN(CC(=O)N1CCO[C@]2(CCN(C(=O)/C=C\C(=O)NC3CC3)C2)C1)NC(=O)NCc1ccccc1 1778833347 YMGDVESYXBGSRY-JRUKXMRZSA-N 498.584 -0.003 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](O)N3CCOCC3)C2)C1 1779096674 WWOCXSOJSFTERP-IRLDBZIGSA-N 492.485 -0.386 50 20 JBGD C[C@@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnccc2C(=O)NN)C1)n1cncn1 1779374650 AOTJMMPHBYTICN-AVBTWRTFSA-N 456.507 -0.335 50 20 JBGD Cc1c(C(=O)N2CC[C@@]3(CN(C(=O)c4cnccc4C(=O)NN)CCO3)C2)cn2[nH]cnc(=O)c12 1780019697 MQHVMJRCZQPPOY-QFIPXVFZSA-N 480.485 -0.913 50 20 JBGD CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]2C1 1784090294 XWOHVZGXUKEKSQ-UYLCUJDWSA-N 475.970 -0.064 50 20 JBGD C[C@@](Cl)(CCl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCS(=O)(=O)CC3)C[C@@H]21 1789868313 BBMFLZRGMBNAKM-YRBFXIGRSA-N 470.419 -0.067 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccn(C(F)F)c1=O)C2)c1cccc(B(O)O)c1 1795740324 STVHKEVGRYYUJA-XOIINTDNSA-N 461.230 -0.560 50 20 JBGD COC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2 1796392917 PSDVJBPNIWWDEP-YYAJDYIMSA-N 485.582 -0.511 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@](C)(O)CC(=O)O 1801003271 FMUMVPILYLOHID-CDNZIXLQSA-N 463.491 -0.674 50 20 JBGD COC[C@H](Cl)C(=O)N1CC[C@H](CNC(=O)c2cc(=O)n3[nH]nnc3n2)[C@@H]1c1cccnc1 1807948253 APBQZBXHSKCSNX-WWGRRREGSA-N 460.882 -0.219 50 20 JBGD O=C(CCN1CCOC1=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1809528470 AEUZFKMGKWBJMB-RXVVDRJESA-N 466.303 -0.077 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)n2)[C@@H]1c1cccnc1 1813070720 MNJQWJRSLOKINW-IFXJQAMLSA-N 457.491 -0.025 50 20 JBGD O=C(COc1cccnn1)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1813389098 NNMCPNUOGLPOHR-XMSQKQJNSA-N 461.287 -0.050 50 20 JBGD CC(=O)N1CCN(CC(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc(B(O)O)c3)n[nH]2)CC1 1817476145 HKIAVNXUVAOMNO-FQEVSTJZSA-N 482.350 -0.441 50 20 JBGD O=C(Cn1ccncc1=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cccc(B(O)O)c1)CC2 1824531491 FWEIFYVFZOZNHJ-AWEZNQCLSA-N 453.289 -0.694 50 20 JBGD CC[C@H](Br)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)NS(=O)(=O)CC)CCO2 1831330713 VFWQKWPUJFSKEB-KEYYUXOJSA-N 484.413 -0.056 50 20 JBGD C[C@H](Cn1cccn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1833203949 UVQVCJRMINNPOQ-DYESRHJHSA-N 450.540 -0.651 50 20 JBGD COC[C@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)c3cc(=O)n4[nH]cnc4n3)CC2)CC1 1834797154 BVGCYLIILUOZII-HNNXBMFYSA-N 465.942 -0.143 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)c3cn4cccnc4n3)CC2)CC1)c1cccc(B(O)O)c1 1834800218 ZAYFUYQZLVANMU-UHFFFAOYSA-N 476.346 -0.092 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCC(F)(F)C3)C2)C1 1835925999 GYQJNVRCTJQGSO-JXFKEZNVSA-N 452.263 -0.128 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)c3cccc4nc[nH]c34)C2)C1 1835928427 PGWUQFBTJMXOGK-HSZRJFAPSA-N 464.287 -0.374 50 20 JBGD O=C(Cc1ccc(F)cc1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835929496 RLCNBMSMDLEZOW-HSZRJFAPSA-N 456.279 -0.182 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(O)cc3)C2)C1 1837459318 CMULFDRIBFBDEK-QFIPXVFZSA-N 455.471 -0.226 50 20 JBGD Cc1ccn(C)c1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837459895 OEERNOLNBDHSON-JOCHJYFZSA-N 456.503 -0.284 50 20 JBGD CC(=O)OC[C@H](OC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)CBr)C2)C1 1837496139 FJNCNWAFNYRZPR-IYJAJMOOSA-N 493.351 -0.031 50 20 JBGD CC[C@H](NC(N)=O)C(=O)N1CCC(OC2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1837920356 OZNAHEJFKJMBLZ-IBGZPJMESA-N 460.340 -0.575 50 20 JBGD CC(C)(C)OC(=O)NCCOCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1839139152 ZSRQRPVMOGFUJP-QRWLVFNGSA-N 479.958 -0.416 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1840185511 OJYFMOYZSZDRFX-HSZRJFAPSA-N 464.563 -0.486 50 20 JBGD CC(C)(C)OC(=O)N[C@H](CCO)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cnccc1C(=O)NN 1847641556 PNWGLXBVAGTKAR-IKGGRYGDSA-N 476.534 -0.224 50 20 JBGD O=C(CCNS(=O)(=O)c1ccc2c(c1)CCCC2)NNC(=O)N[C@H]1CCS(=O)(=O)C1 920212577 QKIFMJTXWLMBKG-HNNXBMFYSA-N 458.562 -0.249 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)c3cccc4c3OCCO4)C2)C1 1777834132 AUZLBMGXYNGYSR-HSZRJFAPSA-N 452.272 -0.105 50 20 JBGD C[C@@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)C2)[C@H]1SC(=N)NC1=O 1778084071 ULPPLKRMFUVUEG-DDBGFLLRSA-N 482.607 -0.324 50 20 JBGD Cc1cn2c(=O)c(C(=O)N3CCO[C@]4(CCN(C(=O)c5cnccc5C(=O)NN)C4)C3)cnc2s1 1779032385 PVKCHUYFGOJFQV-QFIPXVFZSA-N 497.537 -0.180 50 20 JBGD CC(C)(C)n1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)nn1 1789354470 YBFLZORRFPYPSE-IEZWGBDMSA-N 455.324 -0.380 50 20 JBGD C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2 1792762293 RTDBBYVKVWULTG-AFIMGQEJSA-N 455.556 -0.138 50 20 JBGD CCOC(=O)[C@@H]1CCC[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)C1 1792956607 PKRCHCWTIHEURA-XQPJFTJZSA-N 472.347 -0.061 50 20 JBGD C[S@@](=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)CCl 1792975588 VYKDBZABALZARO-WRWWENCUSA-N 496.026 -0.162 50 20 JBGD CN1Cc2ccccc2C[C@@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795732929 RGUCZSYXQZKQBX-IRMYBRCSSA-N 463.343 -0.374 50 20 JBGD CN(CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)ncn1)C2)NC(=O)NCc1ccccc1 1799095445 WZQKMDAHGUXNOJ-UPHUGPLXSA-N 483.529 -0.268 50 20 JBGD CCS(=O)(=O)N[C@H](C)C(=O)NC[C@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1 1803505670 BDAFGQRXUWNMOF-MDYRTPRTSA-N 482.607 -0.212 50 20 JBGD C[C@H](C(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1)[C@@H]1SC(=N)NC1=O 1807362597 MJVRKWZDGXHJNE-BIGGFVEDSA-N 495.370 -0.117 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@@H](CNC(=O)Cn2cnnn2)[C@@H]1c1cccnc1 1807607459 FKMVSABJNAHKFY-TYNUBOESSA-N 464.490 -0.092 50 20 JBGD CN1CCN(CC(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2cccc(B(O)O)c2)CC3)CC1 1818798750 WWHQQSHULYUXKD-INIZCTEOSA-N 457.365 -0.704 50 20 JBGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)C[C@H]1NC(=O)NC1=O)CC2 1826084013 XLBLZSFZUWLFJS-MWLCHTKSSA-N 451.509 -0.974 50 20 JBGD CC(C)(C)OC(=O)N1CC(=O)C[C@H]1C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](O)CCl)CCO2)C1 1830719479 DJBHVJMTVOXUFD-MRUHUIDDSA-N 489.953 -0.379 50 20 JBGD O=C(/C=C/C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2)NCc1ccco1 1830730864 GDBUQINJNRLROL-YPHPSYCRSA-N 455.895 -0.492 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)C=CC2=O)CC1 1831985273 ZKSODIMIOFWXAX-LJQANCHMSA-N 453.304 -0.475 50 20 JBGD COc1cncc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)c1 1832913160 ZHUPJPTVTPCTNG-XMMPIXPASA-N 483.330 -0.527 50 20 JBGD Cc1cncc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)c1 1832955391 YEEMFQJWTCNGSA-DEOSSOPVSA-N 467.331 -0.227 50 20 JBGD Cc1nnc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)s1 1833018141 QDGYEDMRCUDPHR-OAQYLSRUSA-N 474.348 -0.771 50 20 JBGD Cc1nc(C)c(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)s1 1835935636 WOAHTOXNQCIKHX-OAQYLSRUSA-N 459.333 -0.176 50 20 JBGD Cc1cc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)ccn1 1835935646 WYYOIDSPQDCBMP-XMMPIXPASA-N 467.331 -0.227 50 20 JBGD COC(=O)[C@@H]1CC=CC[C@H]1C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835940193 YVPBNNAJQWMAPL-REHUZNOOSA-N 486.330 -0.808 50 20 JBGD COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835940194 YVPBNNAJQWMAPL-ROKPMTFOSA-N 486.330 -0.808 50 20 JBGD Cc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)nn1C 1837457203 XWOOGHCRRZQILR-NRFANRHFSA-N 457.491 -0.889 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@@H](N)c3cccnc3)C2)C1 1837457456 CSRZRMVDOAZCDH-AUSIDOKSSA-N 483.529 -0.760 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCC(OC2CCN(C(=O)c3cc(O)nc(O)n3)CC2)CC1 1837920405 VASDLVYQYJGDQN-UHFFFAOYSA-N 470.291 -0.506 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cn(C)nc1C(F)(F)F)CCO2 1837963292 SLGOLBWSTBFVMN-LJQANCHMSA-N 490.483 -0.118 50 20 JBGD COc1cnc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)c(F)c1 1840183733 WIQSFFWVQPNQHJ-OAQYLSRUSA-N 467.498 -0.328 50 20 JBGD C/C(=C\c1cccnc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1840412989 YGZMRTGGFQUEFI-VHFIJRQBSA-N 465.315 -0.065 50 20 JBGD O=C(NNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)N[C@@H]1CCS(=O)(=O)C1 919885194 NSDRBCOQRCCELH-GXTWGEPZSA-N 462.525 -0.256 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)c3ccc(OCCCO)cc3)C2)C1 1780123211 VPOFXKLVPDERFY-XMMPIXPASA-N 468.315 -0.115 50 20 JBGD COC(OC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN(C)NC(=O)NCc3ccccc3)C[C@@H]21 1784290085 WMPGRCICODZUBR-FHWLQOOXSA-N 477.562 -0.069 50 20 JBGD C[C@](Cl)(CCl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCS(=O)(=O)CC3)[C@H]2C1 1785037065 BEWVNKZKDUGPBQ-XSWJXKHESA-N 470.419 -0.067 50 20 JBGD O=C1COc2ccc(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)c5cccc(B(O)O)c5)C[C@@H]43)cc2N1 1788362717 PACVJGZMABVZHN-MDKPJZGXSA-N 479.298 -0.396 50 20 JBGD CN(CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1cnc[nH]1)NC(=O)NCc1ccccc1 1796332765 ABNMOUGVBDMWLN-OPMZPASUSA-N 469.546 -0.112 50 20 JBGD O=C(CNC(=O)c1cccnc1)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1804367143 WIXHAZIEQOWDHY-CVDCTZTESA-N 487.325 -0.094 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@H]1CCN(C(=O)c2c[nH]c(=O)cn2)[C@H]1c1cccnc1 1810302069 FNHWOLMGOSPKCA-KUHUBIRLSA-N 462.470 -0.203 50 20 JBGD CC(=O)N1CCN(CC(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2cccc(B(O)O)c2)CC3)CC1 1818893574 GTQBASZWSOMYBV-QGZVFWFLSA-N 485.375 -0.787 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCC([C@H]2CCCCN2C(=O)CNCP(=O)(O)O)CC1 1826807346 DSGBFGBIWGWRNB-MRXNPFEDSA-N 461.500 -0.296 50 20 JBGD C[C@@H](O)[C@H](NC(=O)c1ccccc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1830352681 MBTOTYDFYGUMLT-YDGKCNFYSA-N 483.949 -0.778 50 20 JBGD C[C@@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3ccncc3=O)C2)C1 1830543774 CNRUIISSBTWDJU-KSSFIOAISA-N 457.325 -0.269 50 20 JBGD COc1cnc(C(=O)N2CCO[C@]3(COCCN(C(=O)/C(C)=N/NC(=O)c4ccc[nH]4)C3)C2)cn1 1834528705 XVPYQUNKESICDE-WGLQLPMYSA-N 485.501 -0.311 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)c3nc4ccccc4[nH]3)C2)C1 1835928088 DDGQVOORTFZZQI-QHCPKHFHSA-N 464.287 -0.374 50 20 JBGD Cc1cccc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)n1 1835935225 IXXZGYYBEMKUBR-DEOSSOPVSA-N 467.331 -0.227 50 20 JBGD CC(C)(C)OC(=O)NCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835941790 PNMNZDOAFONHKS-HSZRJFAPSA-N 491.350 -0.649 50 20 JBGD O=C(CCBr)N1CCOC[C@@]2(C1)CN(C(=O)c1n[nH]c3c1CS(=O)(=O)C3)CCO2 1836258192 VJXMDDRAONBCGO-QGZVFWFLSA-N 491.364 -0.307 50 20 JBGD O=C1NC(=O)[C@@H](CC(=O)N2CCC(N3CCC(NC(=O)[C@@H](F)Br)CC3)CC2)N1 1836414016 UDYIXJRLEYSRTG-TZMCWYRMSA-N 462.320 -0.153 50 20 JBGD C[C@H](Nc1cnccn1)C(=O)N1CC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1779058968 YOSKYUURBVAZKA-QKKBWIMNSA-N 454.491 -0.581 50 20 JBGD C[C@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2)N1C[C@H]2C[C@H]2C1 1779248116 VZWZQKIDRCSPJO-AOBCARNWSA-N 455.364 -0.166 50 20 JBGD CN(CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ncn(C)n1)CCO2)NC(=O)NCc1ccccc1 1780969832 KGDFUXHMFJKIJZ-JOCHJYFZSA-N 470.534 -0.395 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCN1C(=O)C=CC1=O)C2 1782209524 YFRNEFYEJIDRAS-OPAMFIHVSA-N 463.535 -0.812 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)[C@H]3CC(c4ccccc4)=NN3)C2)C1 1782601068 TZCYMRWBOYEEPS-QPPBQGQZSA-N 462.315 -0.424 50 20 JBGD Cc1nccn1CCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786986626 RPTRVKVDYARJJM-JBACZVJFSA-N 454.336 -0.055 50 20 JBGD CS(=O)(=O)c1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)nc1 1797749679 JNWHBSADGDJTPB-IVWMJMPLSA-N 488.526 -0.999 50 20 JBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3ncnn3c1)C2 1797751653 LWBYHVFBFYYZJM-ZSBFGKGUSA-N 450.459 -0.755 50 20 JBGD Cn1ccc2c(O)ncc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)c3cccc(B(O)O)c3)C4)c21 1798428475 IWNZKOANJUTODK-CCWDJLKJSA-N 464.287 -0.524 50 20 JBGD CN(CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncn(C)n1)C2)NC(=O)NCc1ccccc1 1799094769 JVKAJRHWQOUSGK-IZZQQSIFSA-N 470.534 -0.636 50 20 JBGD COC(=O)c1ccc(OCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)cc1 1802230331 DPLQSHSAZUSSFV-OPMZPASUSA-N 482.298 -0.565 50 20 JBGD CN[C@H](CC(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1)C(=O)O 1807204225 DQEGSAWHHWJRGG-HQRMLTQVSA-N 454.292 -0.856 50 20 JBGD O=C(NC[C@H]1CCN(C(=O)CCN2CCOCC2)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807371509 WDSDRANQEXHOSF-NFBKMPQASA-N 466.347 -0.197 50 20 JBGD O=C(COc1cccnn1)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1813389095 NNMCPNUOGLPOHR-AVRDEDQJSA-N 461.287 -0.050 50 20 JBGD O=C1NC(=O)[C@H](CC(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc(B(O)O)c3)CC2)N1 1827056195 QCJOIFRZDSLVMZ-ZWKOTPCHSA-N 456.308 -0.802 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1COc3ccccc3O1)CCO2 1832497828 RKBVFTZYSDOIJE-HYBUGGRVSA-N 497.508 -0.405 50 20 JBGD CN(CC(=O)N1CCC(N2CCC(NC(=O)C(O)O)CC2)CC1)NC(=O)NCc1ccccc1 1833223677 CECZTSAXNCUCGJ-UHFFFAOYSA-N 476.578 -0.785 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1)c1nc2ccccn2n1 1834968711 ALRYTAOMJHHNLY-UHFFFAOYSA-N 476.346 -0.092 50 20 JBGD CC[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835932163 QZRFGRMIEZFVFJ-LPHOPBHVSA-N 469.141 -0.390 50 20 JBGD O=C(COc1ccccc1F)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835940141 VRLOSAZRPJPIOZ-QHCPKHFHSA-N 472.278 -0.346 50 20 JBGD CN(CC(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cnc[nH]3)CCO2)C1)NC(=O)NCc1ccccc1 1836488320 NYQMQHIHFYCXRJ-XMMPIXPASA-N 499.572 -0.245 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc3c(c1)CC(=O)N3)CCO2 1836791728 OKZOOTFWACNREX-HSZRJFAPSA-N 473.530 -0.376 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1 1837457870 UDGACFBHZUAVBM-DEOSSOPVSA-N 463.494 -0.193 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(-c3ccncc3)[nH]n1)CCO2 1838011178 KVULWRDQLUZBCX-XMMPIXPASA-N 491.313 -0.465 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(N(C)C)nc1)CCO2 1838198873 UEZHAXOLSLHBJV-QFIPXVFZSA-N 462.551 -0.409 50 20 JBGD C[C@@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)CN(C)NC(=O)NCc3ccccc3)CCO2)C1 1839054102 GYZNWUXWMLKDPB-VGOFRKELSA-N 463.535 -0.830 50 20 JBGD O=C(Cn1cccc([N+](=O)[O-])c1=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839203077 YWLIHIVNKFYRRJ-WMLDXEAASA-N 491.270 -0.097 50 20 JBGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc4ncnn4c3)C2)C1 1840153872 DILLYFZVUVRZHV-UZLBHIALSA-N 451.911 -0.018 50 20 JBGD CC[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840185977 VEJUMNRFXSOHJU-KBXCAEBGSA-N 463.373 -0.011 50 20 JBGD CC(=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O)c1ccc(OCC(=O)N2CCOCC2)cc1 730568826 DDRXBDXWABSYFV-UHFFFAOYSA-N 490.542 -0.651 50 20 JBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N([C@@H]3CCS(=O)(=O)C3)N(C)C)CC2)cc1 918556490 BVHRTBLTXJNREZ-QGZVFWFLSA-N 458.606 -0.206 50 20 JBGD C=CC(=O)N[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)CN(C)NC(=O)NCc3ccccc3)CCO2)C1 1779279713 GNZACYONPWNXHJ-KOSHJBKYSA-N 486.573 -0.147 50 20 JBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2)[C@H]1CCCS1(=O)=O 1781652357 AZGJIAOZTXQRSR-DBXWQHBBSA-N 464.349 -0.929 50 20 JBGD Cc1cc2nnc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)c5cccc(B(O)O)c5)[C@H]4C3)c(C)n2n1 1786982761 ARDOLXYCPSWITD-WDSOQIARSA-N 478.318 -0.672 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN1Cc3ccccc3C1=O)C2)c1ccc(B(O)O)cc1 1795734681 ZYCGMCBNQPVJLC-BBIADKPPSA-N 477.326 -0.384 50 20 JBGD Cn1ncc(Br)c1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1796751445 WXLPAHZYIHYTEU-YWVIFJGQSA-N 477.124 -0.621 50 20 JBGD C[C@H]1Oc2ccc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)CCC(=O)NN(C)C)C4)cc2NC1=O 1798584097 BYWYOQOAHJFRNO-IDZOXIJSSA-N 473.530 -0.018 50 20 JBGD CC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CSCN1C(=O)[C@@H]1CCC(=O)N1)C2 1799272804 YWIYZMBPMXRXFS-DLPJJRSVSA-N 472.995 -0.227 50 20 JBGD COCCOCCOCCOCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](F)Br 1799347456 PXJIYLSPVQKFPN-FSDCSDTHSA-N 485.347 -0.037 50 20 JBGD CS(=O)(=O)CC(=O)N1CC[C@H](CNC(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1810300154 XFGYCMYFBPBUBF-KDOFPFPSSA-N 460.516 -0.556 50 20 JBGD CS(=O)(=O)CCC(=O)N[C@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815347967 ZXPKIDAIHVTRIA-ZDUSSCGKSA-N 451.335 -0.517 50 20 JBGD CS(=O)(=O)CCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1827204026 IQMLZLCEDFJAMR-CYBMUJFWSA-N 451.335 -0.517 50 20 JBGD Cn1ncc(Br)c1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830728419 SZCSVINIUKZXHD-MLGOLLRUSA-N 465.732 -0.148 50 20 JBGD C[C@H](Br)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)CS(C)(=O)=O)CCO2 1831463064 BYINMBLJYACSGH-DVOMOZLQSA-N 455.371 -0.093 50 20 JBGD C[C@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)C[C@H]3NC(=O)NC3=O)CCO2)C1 1832685650 QYMALFQXXREYOM-QFSBIZTOSA-N 461.313 -0.928 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(CN(C(=O)C[C@@H](N)c3cccnc3)CCO2)C1 1835834334 QFUHZAVTAHILGO-XXBNENTESA-N 483.529 -0.760 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)c3cnnc4ccccc34)C2)C1 1835937180 RHZCNURWWJCOQT-XMMPIXPASA-N 476.298 -0.307 50 20 JBGD CC(=O)O[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1)C(C)C 1835937953 CDOAVAXKYYYDSP-UGKGYDQZSA-N 462.308 -0.976 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cn3cccnc3n1)CCO2 1836887556 GYGXPOVTELONMF-PVPASAESSA-N 494.512 -0.067 50 20 JBGD CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837459513 HGQXFKQUYPTTKV-BTYIYWSLSA-N 462.507 -0.444 50 20 JBGD C[C@]1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cnccc4C(=O)NN)CCO3)C2)CC1(F)F 1837461529 XVLJNSNVBXMAAS-RTBURBONSA-N 453.446 -0.200 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCC(OC2CCN(C(=O)CN3CCCC3=O)CC2)CC1 1837809050 ANEHTUFBNQBYON-UHFFFAOYSA-N 472.546 -0.080 50 20 JBGD CNC(=S)NCCC(=O)N1CCC(OC2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1837921113 BBRKKSIDDKVUBS-UHFFFAOYSA-N 476.408 -0.537 50 20 JBGD CCc1noc(C)c1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1838056069 NVISQMLBZYIVAE-JOCHJYFZSA-N 457.292 -0.391 50 20 JBGD CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843014633 IDUMCBIGLVQNOD-QGZVFWFLSA-N 461.324 -0.541 50 20 JBGD CCc1nc2ccccc2n1CC(=O)NNC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C 16205304 ZRWWTSIXXIZAAL-UHFFFAOYSA-N 452.475 -0.417 50 20 JBGD Cn1cccc1C(=O)NNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 747597973 NWHSTOAOKJXQKI-UHFFFAOYSA-N 477.543 -0.043 50 20 JBGD O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)NCCS(=O)(=O)N1CCOCC1 748112156 VCAQIIGRSSIDAA-UHFFFAOYSA-N 468.580 -0.809 50 20 JBGD CCN(CC)S(=O)(=O)c1ccc(N2C[C@H](C(=O)NNC(=O)C(=O)N3CCCC3)CC2=O)cc1 748246932 HTSDJPKTDOMCDZ-OAHLLOKOSA-N 479.559 -0.160 50 20 JBGD Cc1ccc(C(=O)NNC(=O)COC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)cc1 753655568 RRWWEFBPGIYUFO-AWEZNQCLSA-N 450.473 -0.535 50 20 JBGD O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 915188168 FIENWPYRNRLWFH-PKOBYXMFSA-N 477.587 -0.618 50 20 JBGD CC(C)(C)NS(=O)(=O)CCNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 916622278 FIYKKNCQOAKJKS-UHFFFAOYSA-N 491.592 -0.631 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)c3cc([N+](=O)[O-])cc4c3OCC4)C2)C1 1780091804 PVAQVBDXKXAYEJ-HSZRJFAPSA-N 481.270 -0.033 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@]2(CN(C(=O)Cn3cnnn3)CCO2)C1 1780096673 DFXWWHBKIFEYDT-IBGZPJMESA-N 459.419 -0.350 50 20 JBGD CN[C@H](CC(=O)N1CCO[C@@]2(CCN(C(=O)CN(C)NC(=O)NCc3ccccc3)C2)C1)C(=O)O 1780970538 XAWMYJDNWUIZLP-WZONZLPQSA-N 490.561 -0.775 50 20 JBGD C[C@@H](NC(=O)c1ccccc1)C(=O)N1CC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1785555718 AAWNDKGOQGUYGV-VOIUYBSRSA-N 480.525 -0.053 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccn4c(O)nnc34)C[C@@H]21)c1ccc(B(O)O)cc1 1786979959 UIMFPOLBQSXVOS-WBAXXEDZSA-N 465.275 -0.978 50 20 JBGD CN(CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3=NNC(=O)C3)[C@H]2C1)NC(=O)NCc1ccccc1 1788556274 GOIOIXHKFJKWGB-LNLFQRSKSA-N 485.545 -0.812 50 20 JBGD CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](O)CCl)C1 1792983562 OVCRLLZEBDVXRR-YIDVYQOGSA-N 461.943 -0.188 50 20 JBGD CC(=O)N/C(=C\c1ccco1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795739730 GYZMSYVOEORIKH-UTPKTXBFSA-N 467.287 -0.660 50 20 JBGD CC(C)(C)OC(=O)NC1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)CC1 1795741144 KZQBUWJNYKOVIV-ALXJQNPVSA-N 473.335 -0.373 50 20 JBGD CN(CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cccn1)C2)NC(=O)NCc1ccccc1 1799094659 CNMKLNOQGKLNQO-HATOLVCRSA-N 469.546 -0.181 50 20 JBGD CN[C@H](CC(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1)C(=O)O 1807205290 KYNILJCNAHDHNF-HQRMLTQVSA-N 454.292 -0.856 50 20 JBGD CC(=O)OC[C@H](OC(C)=O)C(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807361736 UCQIUKSQURJKIM-HJNYFJLDSA-N 497.313 -0.424 50 20 JBGD O=C(NC[C@H]1CCN(C(=O)COc2cccnn2)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807367221 JYSPYFLWTLXCEK-XMSQKQJNSA-N 461.287 -0.050 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(=O)n3[nH]nnc3n2)n[nH]1 1817816412 APWXSIAJCJWFQK-ZDUSSCGKSA-N 471.482 -0.785 50 20 JBGD C[C@@H](CBr)C(=O)NC1CCN(C2CCN(C(=O)CN(CCO)CCO)CC2)CC1 1833264469 GDJMKIQKXCDCNN-INIZCTEOSA-N 477.444 -0.124 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1cncn1-c1ccncc1)CCO2 1833652957 KCSIBXDILQUIIT-XMMPIXPASA-N 491.313 -0.669 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCC(N2CCC(NC(=O)c3n[nH]cc3[N+](=O)[O-])CC2)CC1 1835869853 XTOXMKZNMVTNJC-UHFFFAOYSA-N 464.527 -0.124 50 20 JBGD Cc1cncc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)c1 1837456119 CPAZHLBHLAPABK-JOCHJYFZSA-N 454.487 -0.228 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](N)CCC(N)=O)CC2)CC1 1837840719 PUYPRTGFJQMLFR-FLOSOGMCSA-N 489.577 -0.288 50 20 JBGD CC(C)n1nccc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1838021458 BSEIQPQARBGPQL-JOCHJYFZSA-N 471.518 -0.154 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)c1cnc3snnc3c1)CCO2 1838510536 ZFFSKROBBMTTSX-NRFANRHFSA-N 483.315 -0.850 50 20 JBGD C[C@@](Cl)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCS(=O)(=O)CC3)C2)C1 1839150681 UNZPLDKKQPZSIG-QZTJIDSGSA-N 486.418 -0.591 50 20 JBGD O=C(CCN1CCOC1=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839200492 IIMKYSXZVGRKLR-CJNGLKHVSA-N 452.277 -0.024 50 20 JBGD C[C@@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)CN(C)C(=O)C(=O)O)CCO2)C1 1839701425 YRNHVSIINNPBDJ-SJCJKPOMSA-N 464.313 -0.983 50 20 JBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CNC(=O)OC(C)(C)C)C2)C1 1840149341 MAJIEWVGLOBGGT-BXTJHSDWSA-N 479.958 -0.418 50 20 JBGD CC(C)N[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1)C(C)C 1840183891 HDFCQYHVJBXGOY-IRLDBZIGSA-N 455.600 -0.162 50 20 JBGD C[C@H](Oc1ccccn1)C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840185278 NIKMJUBJDGOQGG-JTSKRJEESA-N 463.535 -0.322 50 20 JBGD CCS(=O)(=O)N[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)/C(C)=N/NC(=O)c1ccc[nH]1 1847786027 ZHKOHHHDDCFUQN-QQCLKXRESA-N 452.537 -0.350 50 20 JBGD O=C(NNc1ccc(S(=O)(=O)NC2CC2)cc1)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 728210066 QAVJPHDAHFGANF-IUODEOHRSA-N 456.546 -0.394 50 20 JBGD C[C@@H](NS(C)(=O)=O)C(=O)NN=C1C(=O)N(CC(=O)N(C)C)c2ccc(Br)cc21 728435328 YIVAQFKDKFWYFC-SECBINFHSA-N 474.337 -0.358 50 20 JBGD CCC1(CC)NC(=O)N(CC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)C1=O 912638397 HUSHQLFBSFGWKF-UHFFFAOYSA-N 481.531 -0.421 50 20 JBGD CCN1C[C@@H](C(=O)NNC(=O)Cn2c(=O)c3c(ncn3CC)n(Cc3ccccc3)c2=O)CC1=O 914755616 PSEUBOMQPJDNPI-INIZCTEOSA-N 481.513 -0.556 50 20 JBGD COC(=O)CSCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21 1784511829 BXCCJNCMAOXVCA-RCBQFDQVSA-N 465.532 -0.815 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(CO)c(F)c3)C[C@@H]21)c1ccc(B(O)O)cc1 1786981908 GCEBFZGNEQHEQP-CUWPLCDZSA-N 456.279 -0.095 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COC(=O)C(F)(F)F)C[C@@H]21 1788611314 UFLQTFDAEHEJHM-BPNCWPANSA-N 473.408 -0.616 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)[C@H]1CC(=O)N(C2CCCC2)C1 1793777569 XKGVQZRARNWJGP-AYMMHLMVSA-N 469.347 -0.639 50 20 JBGD Cc1nc2ccc(F)cn2c1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1799956347 SNDVPNKDYXJFRL-CWPLJXCYSA-N 466.278 -0.021 50 20 JBGD O=C(NC[C@H]1CCN(C(=O)CN2C(=O)C=CC2=O)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807375629 UGLPMUKKRGWWCL-VGOFRKELSA-N 462.271 -0.994 50 20 JBGD Cc1cc(C(=O)NCC(=O)NC[C@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)no1 1810376434 QOCKBHALWCBKRS-GCJKJVERSA-N 491.313 -0.193 50 20 JBGD CCS(=O)(=O)N[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1 1817474427 RDYAAOUDACNDHI-GUYCJALGSA-N 477.352 -0.277 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827050741 FMMSPAVWJIIMOW-QFIPXVFZSA-N 464.136 -0.407 50 20 JBGD O=C(C(O)O)N1CC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCN2C(=O)OCc1ccccc1 1828548666 NSTRQVVTQPRRHJ-QRWLVFNGSA-N 455.895 -0.651 50 20 JBGD O=C(C(O)O)N1CC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCN2C(=O)OCc1ccccc1 1828548667 NSTRQVVTQPRRHJ-YWZLYKJASA-N 455.895 -0.651 50 20 JBGD COC(=O)[C@H]1CC[C@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)CC1 1832013427 MIFCVXPPDDDDMV-PMAPCBKXSA-N 482.578 -0.205 50 20 JBGD O=C(CCC(=O)N1CCCC1)NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1833699014 YRDAEVMEZSGGEH-UHFFFAOYSA-N 484.406 -0.046 50 20 JBGD Cc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)n(C(F)F)n1 1835931096 GATNCJVLDVVQMR-NRFANRHFSA-N 478.261 -0.350 50 20 JBGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)NC(=O)c1cnccn1)CCO2 1837610667 WWROMECWHYXGNH-AVYPCKFXSA-N 469.926 -0.695 50 20 JBGD C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1)N1CCN(C)CC1 1837714466 HIIMPQZZUBVXFI-WIYYLYMNSA-N 456.660 -0.070 50 20 JBGD COc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)cc(Cl)n1 1838231214 YPDVVGXGWWZTNB-QFIPXVFZSA-N 489.721 -0.193 50 20 JBGD COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)c1 1838581867 SWKCXMYGHLRWSO-XMMPIXPASA-N 479.298 -0.370 50 20 JBGD C[C@@H](Oc1ccccc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1839218083 MBWVZIFVNWKSMA-KOSHJBKYSA-N 468.315 -0.096 50 20 JBGD C[C@@H](O)CNS(=O)(=O)c1ccc(C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1 728328209 QXDANBIBBMEHCG-FZKQIMNGSA-N 493.494 -0.510 50 20 JBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NCc3ccc(-n4cncn4)nc3)nc2)CC1 916396060 VPIOCJUDLCOSDY-UHFFFAOYSA-N 472.535 -0.180 50 20 JBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)NCCCn2nc3n(c2=O)CCCC3)c1 916649857 MREBXQPXZGQPEC-UHFFFAOYSA-N 465.536 -0.334 50 20 JBGD O=C(CCCN1C(=O)CNC1=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 920196582 OKBMDVGGWUMVLD-UHFFFAOYSA-N 451.505 -0.046 50 20 JBGD CC(=O)NCC(=O)NCC(=O)NNC(=O)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1 921166948 UMPOMRBUSXJZBO-UHFFFAOYSA-N 450.459 -0.598 50 20 JBGD COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)c1OC 1317725033 YZDUXIDHHFQREJ-CQSZACIVSA-N 491.588 -0.169 50 20 JBGD C[C@H](NC(=O)c1ccccn1)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1782671076 UYKIFWOSXVELFV-HJPURHCSSA-N 466.303 -0.977 50 20 JBGD CC(=O)NCCC(=O)N1CC[C@]2(C1)CN(C(=O)CN(C)NC(=O)NCc1ccccc1)CCO2 1783188932 OLRNUAIEBSZEBF-QHCPKHFHSA-N 474.562 -0.311 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccnc4c3OCO4)C[C@@H]21 1788610274 VKUQKTYIXMJVSX-ZLIFDBKOSA-N 468.470 -0.284 50 20 JBGD C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1792258244 ZSEYJSLSAFLESC-VMXMFDLUSA-N 499.373 -0.124 50 20 JBGD CN(CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc[nH]n1)NC(=O)NCc1ccccc1 1793506393 VAPIIIIHNUIFRF-XEMDLRDOSA-N 455.519 -0.041 50 20 JBGD CN(C)c1cccc(OCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)c1 1795737217 FRVGQLAQMHPPHX-FEJSZKPUSA-N 467.331 -0.285 50 20 JBGD CNC(=S)NCCC(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1810305157 ARAVXVYULDWLPI-PXNSSMCTSA-N 469.376 -0.435 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827054750 JFLVJOQRANSEJX-QFIPXVFZSA-N 464.136 -0.407 50 20 JBGD O=C(CCc1ccc(F)nc1)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1832831915 ZDUYIRXBEVMIRS-QHCPKHFHSA-N 471.294 -0.397 50 20 JBGD CC(=O)NC(C)(C)C(=O)NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1833486233 RLCDTRJUWIWJSN-UHFFFAOYSA-N 458.368 -0.534 50 20 JBGD CC(=O)c1cc(C(=O)NC2CCN(C3CCN(C(=O)c4cccc(B(O)O)c4)CC3)CC2)n[nH]1 1834067322 UAYXRRNVCPJSMQ-UHFFFAOYSA-N 467.335 -0.209 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC1CCN(C2CCN(C(=O)[C@@H](N)c3ccccn3)CC2)CC1 1835736983 OSVOJWUKLLFVLK-NRFANRHFSA-N 480.573 -0.035 50 20 JBGD COc1ccnc(C(=O)N2CCOC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)c1OC 1835938080 ITHXCYOUGQXRNK-QHCPKHFHSA-N 485.302 -0.838 50 20 JBGD O=C(c1ccc2nn[nH]c2c1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835939441 QZRWPBBUDWWMFZ-JOCHJYFZSA-N 465.275 -0.979 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CCOC[C@]2(CN(C(=O)C3=NNC(=O)C3)CCO2)C1 1837364518 SUDDBKBJHZGGEO-OAQYLSRUSA-N 489.441 -0.534 50 20 JBGD Cc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)ccn1 1837459752 XBJRQCBIQNJIAC-QFIPXVFZSA-N 454.487 -0.228 50 20 JBGD C[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3nccnc3C(N)=O)CCO2)C1 1838330911 NHSVHCZJDNTRPM-PIGZYNQJSA-N 456.297 -0.571 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)COc3cccc(N(C)C)c3)C2)C1 1840182293 FATVAWDHSKOVNZ-XMMPIXPASA-N 491.589 -0.039 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@@H](N)c3cccnc3)C2)C1 1840183927 IHSGLSMJSYAGKY-GCJKJVERSA-N 462.551 -0.699 50 20 JBGD C[C@H](Oc1ccccn1)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1840424482 ODJSOYAGEARTIC-GAJHUEQPSA-N 469.303 -0.701 50 20 JBGD C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc2)C[C@@H](C)O1 729276629 JIROSIAJKIUWLD-XQQFMLRXSA-N 462.550 -0.817 50 20 JBGD CC[C@H](N=c1nn[nH]n1-c1ccccc1)C(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 729283395 PISFHASBLLPIQB-KRWDZBQOSA-N 472.531 -0.014 50 20 JBGD Cc1nn2cc(CC(=O)N3CCO[C@@]4(CCN(C(=O)c5cnccc5C(=O)NN)C4)C3)nc2s1 1779029243 PTERKTYUZNLELS-NRFANRHFSA-N 484.542 -0.216 50 20 JBGD C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](Cc3ccc(B(O)O)cc3)NC(=O)OC(C)(C)C)C[C@@H]21 1790791650 LKHNMVALTRPNCQ-VMXMFDLUSA-N 499.373 -0.585 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCc4nc(O)nc(O)c4C3)C[C@@H]21 1791288619 MLGYIBMOOJDEJD-DNUAJFIVSA-N 490.561 -0.655 50 20 JBGD COC(=O)c1ccccc1CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1793092666 VYDNQWOVIPVWHE-BBIADKPPSA-N 480.326 -0.011 50 20 JBGD O=C1CN(c2cccc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)[C@@H](O)CCl)C4)n2)CCCN1 1794504487 PLSIUYPMPDVZMY-MVWRLGRASA-N 465.938 -0.789 50 20 JBGD COc1cc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)cc(OC)c1OC 1795737738 OIXKWZVVGWSRCG-FEJSZKPUSA-N 498.341 -0.162 50 20 JBGD Cc1cc(C)n2ncc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)c3cccc(B(O)O)c3)c2n1 1795739243 VYKBUNHSHOHDGH-XEMDLRDOSA-N 463.303 -0.457 50 20 JBGD Cc1ccc(C(=O)NCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)cc1 1797756999 VMUIJHQDLXHQQB-UPHUGPLXSA-N 480.525 -0.373 50 20 JBGD CC(=O)OC[C@H](OC(C)=O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnccc1C(=O)NN)C2 1798471290 IPTNUALSGWLTJQ-KRXQYRFLSA-N 461.475 -0.568 50 20 JBGD CN(CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(=O)ccn1C)NC(=O)NCc1ccccc1 1798529602 REVHTOVIQZYQMB-BBIADKPPSA-N 496.568 -0.065 50 20 JBGD CCOC(=O)c1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(=O)NN(C)C)C3)ccn1 1798688495 RYUCTZPJDHDAJF-CWPLJXCYSA-N 461.519 -0.166 50 20 JBGD CN(C)C(=O)c1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)c1 1801914065 SUIKLORZAPFQFF-CEQLMSFQSA-N 465.315 -0.415 50 20 JBGD O=C(NC[C@H]1CCN(C(=O)Cn2ccncc2=O)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807365451 KBYTVYNWIMKSCU-GCJKJVERSA-N 461.287 -0.662 50 20 JBGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)Cn2ccncc2=O)[nH]n1)c1ccc(B(O)O)cc1 1817475225 LQBDBWBRJCFZAK-KRWDZBQOSA-N 450.264 -0.348 50 20 JBGD C[C@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cnccc2C(=O)NN)n[nH]1)n1cnnn1 1819404332 HRGMTGFOSBYSAI-ABAIWWIYSA-N 453.467 -0.038 50 20 JBGD O=C1CN(CC(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc(B(O)O)c3)CC2)C(=O)N1 1827056494 VUQYLQMEIZWEQT-GOSISDBHSA-N 456.308 -0.849 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CN2C(=O)CNC2=O)CC1 1828923703 UVTJLRYDXUKWJY-QGZVFWFLSA-N 471.518 -0.530 50 20 JBGD CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](O)CCl)CCO2)C1 1830733731 RYBYHEVBMYKWJG-MDOVXXIYSA-N 479.958 -0.682 50 20 JBGD O=C([C@H](O)CCl)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CC(=O)N(C3CCCC3)C1)CCO2 1832353777 KMGKZUNRQCESHD-XPIZARPCSA-N 457.955 -0.166 50 20 JBGD Cc1cncc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)c1 1832954725 IVOVYRYJKRWGNZ-XMMPIXPASA-N 467.331 -0.227 50 20 JBGD O=C(COc1ccc(F)cc1)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1834961010 APNOZHUSOOVMJQ-QHCPKHFHSA-N 472.278 -0.346 50 20 JBGD CN[C@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)CBr)C2)C1)C(=O)O 1835752844 UZVZGVIPCOCQJV-OGHNNQOOSA-N 450.330 -0.464 50 20 JBGD COc1c(Cl)ccnc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835931225 ISUKOQFPFOMHDQ-JOCHJYFZSA-N 489.721 -0.193 50 20 JBGD CC(=O)Nc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)cc1O 1835931960 JBXCTFJHHZDCQM-DEOSSOPVSA-N 497.313 -0.586 50 20 JBGD C[C@@H](Nc1cnccn1)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1837485121 IJCUOGZDBHUXOI-IERDGZPVSA-N 463.539 -0.894 50 20 JBGD C[Si](C)(C)OCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4n(n3)CCCNC4=O)C2)C1 1837713056 FECDPFSRVIKLPB-NRFANRHFSA-N 479.610 -0.062 50 20 JBGD CCc1noc(C)c1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1838056228 SZSNZDVCUDHREV-JOCHJYFZSA-N 457.292 -0.391 50 20 JBGD CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CCC(OC2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1 1838399638 FRFULUDFPVWYDT-HXUWFJFHSA-N 498.577 -0.147 50 20 JBGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4n(n3)CCCNC4=O)C2)C1 1840033752 PBSNRIJDJQLSEQ-DJJJIMSYSA-N 484.351 -0.130 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)c2nc3c(=O)[nH]c4ccccc4n3n2)C1 1843809271 OWEDXZRVPIWDKI-UHFFFAOYSA-N 487.480 -0.300 50 20 JBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](O)CCl)C2)c1n[nH]c2c1CS(=O)(=O)C2 1777711648 GTMYPOYMJWJZOH-HBUWYVDXSA-N 460.940 -0.435 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccnc3c1OCO3)CCO2 1779032274 HYIVNGNUOHUXFF-OAQYLSRUSA-N 454.443 -0.434 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)c3cc(=O)nc4sccn34)C2)C1 1779949615 YQQBBTDUADGLLM-OAQYLSRUSA-N 468.300 -0.807 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)[C@@H]1Cc2ccccc2CN1 1787413827 YQBMPIDCSMPYCK-UDIDDNNKSA-N 463.343 -0.326 50 20 JBGD CCS(=O)(=O)N[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](F)Br)[C@H]2C1 1789921645 UICAEHABHWRPQC-MOLYVOAJSA-N 458.350 -0.016 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccn3c(O)nnc13)C2 1798440169 FNCPZEMWRVDIEE-CLLJXQQHSA-N 450.459 -0.001 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1n[nH]c3c1CS(=O)(=O)C3)C2 1798440491 XJUSOOJDJYRQGN-ZSBIGDGJSA-N 473.515 -0.598 50 20 JBGD CSCC[C@@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C(C)=N/NC(=O)c1ccc[nH]1)C2 1801025425 HZHMJHPCMLLHGC-WGCSPTNMSA-N 451.549 -0.176 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@H]1CCc2nc(NC(=O)[C@H](O)N3CCOCC3)sc2C1 1819883337 AHMXXWJTYISENC-FAHUAXNMSA-N 489.558 -0.160 50 20 JBGD CCOC(=O)N[C@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](C)CBr)CCO2)C1 1830539280 GAQZPDAAFHMJIL-OGHNNQOOSA-N 466.329 -0.462 50 20 JBGD CC(C)(C)OC(=O)N[C@]1(C(=O)N2CCOC[C@]3(CN(C(=O)[C@H](O)CCl)CCO3)C2)CCOC1 1830733494 NLNKTVFEGZERRL-GQWLDOHISA-N 491.969 -0.274 50 20 JBGD C[C@@](O)(CC(=O)O)CC(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834799088 NKUYLQACABROGL-QHCPKHFHSA-N 475.351 -0.833 50 20 JBGD COC[C@@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)c3cc(=O)n4[nH]nnc4n3)CC2)CC1 1834973308 PMDIWOHFBMVVRX-CQSZACIVSA-N 466.930 -0.748 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCC(N2CCC(NC(=O)/C=C\C(=O)NC3CC3)CC2)CC1 1835659765 UYRGSVWAAPBOOU-ARJAWSKDSA-N 483.573 -0.295 50 20 JBGD Cc1nc2ncccn2c1C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835930753 YHWXHOHXOVCNQQ-QHCPKHFHSA-N 479.302 -0.899 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)C3Cc4ccccc4C3)C2)C1 1835934423 SAFOMHUFVHUVFL-RUZDIDTESA-N 464.327 -0.149 50 20 JBGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3n[nH]c4c3CS(=O)(=O)C4)CCO2)C1 1836259896 OWKPAVZDMKQIDS-UGSOOPFHSA-N 476.939 -0.838 50 20 JBGD O=C(C[C@H]1CNc2ccccc2O1)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1837351403 NHLSXIIHFYKJPC-CPJSRVTESA-N 495.341 -0.300 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3Cc4ccccc4CN3)C2)C1 1837457809 RYLUEVVZEHBODG-OFVILXPXSA-N 494.552 -0.530 50 20 JBGD C[C@H](Cn1cncn1)C(=O)N1CCC(OC2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1837921293 VQMUJJUZROFDRJ-QGZVFWFLSA-N 469.351 -0.094 50 20 JBGD C[C@](Cl)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)N3CCOCC3)C2)C1 1839153925 VYIOIKDECJUSNO-WBAXXEDZSA-N 454.351 -0.670 50 20 JBGD CC[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1839965082 MKCWVYLVDGLOML-DNVCBOLYSA-N 484.351 -0.071 50 20 JBGD CN(CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCOC1)CCO2)NC(=O)NCc1ccccc1 1840537881 PGZBCKLINJFQLN-GBXCKJPGSA-N 489.573 -0.175 50 20 JBGD CC(=O)Nc1ccccc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1840723914 YPICWHVIWORYBX-XMMPIXPASA-N 481.314 -0.291 50 20 JBGD CN(CC(=O)N1CC2(CCCN2C(=O)CNC(=O)N(C)C)C1)NC(=O)NCc1ccccc1 1841135031 MYAPBGWSRRJLLT-UHFFFAOYSA-N 459.551 -0.193 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)c3cnc4snnc4c3)C2)C1 1780070147 TZYDJRKPVABIQI-FQEVSTJZSA-N 453.289 -0.477 50 20 JBGD CC(C)(C)OC(=O)NCCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1785333643 BEZNHUQSHDISCE-JOCHJYFZSA-N 461.324 -0.275 50 20 JBGD Cc1ccn2c(=O)c(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)c5cccc(B(O)O)c5)[C@H]4C3)cnc2c1 1786983645 ZEEAINLDPDJBBG-YYWHXJBOSA-N 490.325 -0.410 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cn4cccnc4n3)C[C@@H]21 1788611046 HHTHAINRSLKOTQ-OWQGQXMQSA-N 464.486 -0.365 50 20 JBGD COc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)ccc1O 1798950930 ACBNVNQFWNISGN-HBCWATKFSA-N 455.471 -0.084 50 20 JBGD O=C(NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1)c1nc2ncccn2n1 1809234161 VQMPQSNZENIDQM-HKUYNNGSSA-N 471.286 -0.168 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H](CNC(=O)[C@@H]2CCNC(=O)C2)[C@H]1c1cccnc1 1813134491 CPHSZJWZFJBRJE-AKCHCHLHSA-N 465.514 -0.074 50 20 JBGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CN2CCS(=O)(=O)CC2)[nH]n1)c1cccc(B(O)O)c1 1817474736 YDZUWYRURZADGZ-SFHVURJKSA-N 489.363 -0.874 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1 1817480023 ZOMQYTJLVDPULC-KRWDZBQOSA-N 456.312 -0.232 50 20 JBGD COc1cccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)n1 1832772815 YHVOUTSSVMGYQF-QFIPXVFZSA-N 463.535 -0.538 50 20 JBGD Cc1nc(C(=O)NC2CCN(C3CCN(C(=O)c4ccc(B(O)O)cc4)CC3)CC2)c(=O)[nH]c1C 1833939042 HXTWILXMSBICML-UHFFFAOYSA-N 481.362 -0.434 50 20 JBGD Cc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)cc1 1835082491 UIGIPIZHGMHXTN-DEOSSOPVSA-N 452.316 -0.012 50 20 JBGD COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)cc1C 1835934001 JVRIPFOHQUGNEG-VWLOTQADSA-N 482.342 -0.004 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)C3(C(F)(F)F)CC3)C2)C1 1835937433 WGJPGLTVDUKOTN-GOSISDBHSA-N 456.226 -0.221 50 20 JBGD C[C@@H](C(=O)NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1)N1CCN(C)CC1 1836372676 WNDHDGVKUFOEMR-IBGZPJMESA-N 485.438 -0.813 50 20 JBGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(CS(C)(=O)=O)nc3)CCO2)C1 1836380684 BBNNAIDNEWOPPM-PXNSSMCTSA-N 489.978 -0.050 50 20 JBGD O=C1COc2ccc(C(=O)N3CCO[C@@]4(COCCN(C(=O)c5cccc(B(O)O)c5)C4)C3)cc2N1 1836991979 JVFDVTLAKFOYNF-XMMPIXPASA-N 495.297 -0.919 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)c1n[nH]c3ccc(F)cc13)CCO2 1837039471 RHCNXDCIOPLGTG-QHCPKHFHSA-N 482.277 -0.234 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1837458775 BGVWFFZZZWXSHN-LCHAOGNMSA-N 470.486 -0.533 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)C3CCSCC3)C2)C1 1837461889 HWDSGJUVHOWGPT-NRFANRHFSA-N 463.560 -0.102 50 20 JBGD C[C@H](Nc1ccccn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1837741161 IWWUXDONCAVIQA-SBUREZEXSA-N 468.319 -0.668 50 20 JBGD COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)c(C#N)c1 1839132880 UEWNMMCMQQFXAT-XMMPIXPASA-N 487.557 -0.061 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)c1cc3cccnc3nc1O)CCO2 1839513163 WFKFXQSIOFBTOJ-DEOSSOPVSA-N 492.297 -0.601 50 20 JBGD C[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4c3CS(=O)(=O)C4)C2)C1 1840032340 VQFWZTLRIMKFJA-PIGZYNQJSA-N 491.364 -0.309 50 20 JBGD C[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=O)C(F)(F)F)C2)C1 1840036721 QJYAXBACQKBTPO-YGRLFVJLSA-N 460.247 -0.095 50 20 JBGD CC(=O)Nc1cccc(C(=O)N2CCOC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)n1 1840183399 CCYJRYSMNFHUGF-QFIPXVFZSA-N 476.534 -0.517 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cncc(N(C)C)c3)C2)C1 1840183746 WXUNVXGWRZLTQJ-JOCHJYFZSA-N 462.551 -0.409 50 20 JBGD O=C(c1ccc(N2CCOCC2)cn1)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843013621 QKMWKTCYKGQBEK-UHFFFAOYSA-N 450.304 -0.271 50 20 JBGD CCOC(=O)c1ncn2c1CC[C@@H](C(=O)N1CC3(CCCN3C(=O)c3cccc(B(O)O)c3)C1)C2 1843014990 WMLNDBRLGDHDLZ-QGZVFWFLSA-N 480.330 -0.181 50 20 JBGD CNS(=O)(=O)c1cccc(S(=O)(=O)NNC(=O)c2sc(N3CCOCC3)nc2C)c1 747407497 PBSPEZUDXLOIFY-UHFFFAOYSA-N 475.574 -0.180 50 20 JBGD COc1ccc(CC(=O)NNC(=O)CCN2C[C@H](C)O[C@H](C)C2)cc1S(=O)(=O)N1CCOCC1 912921128 MGMLGSPQTYROAN-CALCHBBNSA-N 498.602 -0.095 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)c3cccc4c3NC(=O)C4=O)C2)C1 1778714099 MMIZQASVDWMDJN-QFIPXVFZSA-N 457.487 -0.362 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)c3nc4ccccn4n3)CCO2)C1 1779030822 XSYKJVJKINWWQZ-NRFANRHFSA-N 450.459 -0.515 50 20 JBGD CN1CCCn2nc(C(=O)N3CC[C@@]4(C3)CN(C(=O)c3cnccc3C(=O)NN)CCO4)cc2C1 1782560306 HEXFMRHWLSYPHK-HSZRJFAPSA-N 482.545 -0.526 50 20 JBGD COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]32)n1 1787751952 XMVMSNJQTMQYBN-DZKIICNBSA-N 478.506 -0.035 50 20 JBGD C[C@H](Nc1cnccn1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1788625759 DALPHLADMGTKMO-CBVHJVASSA-N 453.308 -0.750 50 20 JBGD CN(CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3C[C@H](O)CN3)[C@H]2C1)NC(=O)NCc1ccccc1 1789762621 AJEXQGFWXKGPPC-SXYSDOLCSA-N 488.589 -0.965 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1[nH]cnc1-c1cccnc1)C2)c1ccc(B(O)O)cc1 1795734997 GWMPKPRLCMBKAZ-IZZQQSIFSA-N 461.287 -0.332 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2)[C@@H]1[C@@H](O)CCN1Cc1ccccc1 1800297893 BQCMDOKJSBQIPI-ROMHJBHXSA-N 451.951 -0.189 50 20 JBGD CC[C@@H](NC(C)=O)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1802879894 JSKZHYKYLQEQPU-CEWLAPEOSA-N 452.320 -0.004 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@H]1CCN(C(=O)[C@@H]2C[C@H](O)CN2)[C@@H]1c1cccnc1 1810306313 WADMEBOQHPDVEI-LVFSCSRESA-N 453.503 -0.878 50 20 JBGD C[C@H](C(=O)N[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1)N1CCN(C)CC1 1815343597 CMZGEKXIIPNTBM-RHSMWYFYSA-N 471.392 -0.315 50 20 JBGD COC(=O)[C@@H]1CC[C@H](C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)C1 1830708933 QQPGRHFXBCBGIP-IXFSTUDKSA-N 474.319 -0.974 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(F)(F)C(F)F)CCO2 1832190364 CTHPNGYGOGWZOS-KRWDZBQOSA-N 463.388 -0.345 50 20 JBGD C[C@H](Nc1cccnc1)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835928405 OEYGGFJOFSQBGS-GAJHUEQPSA-N 468.319 -0.668 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)c3nc4ccccc4o3)C2)C1 1835931746 APWRYAIDWGIFAJ-HSZRJFAPSA-N 465.271 -0.109 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)NC1CCN(C2CCN(C(=O)[C@@H](N)CN)CC2)CC1 1836107489 RUOSPIAFXRHBQP-IBGZPJMESA-N 476.534 -0.009 50 20 JBGD O=C(Cn1ccncc1=O)N1CCC(OC2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1837921348 BWSWQZYBXGUCIN-UHFFFAOYSA-N 468.319 -0.765 50 20 JBGD O=C(c1cc(=O)nc2cccnn12)N1CCO[C@@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1838503070 AOGMLSYLUWXDNW-SFHVURJKSA-N 456.286 -0.037 50 20 JBGD COCCOCCOCCOCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1839220411 LZWUYGXMUYJPDK-GHTZIAJQSA-N 496.985 -0.871 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3ON=C(c4ccccc4)O3)C2)C1 1840184445 NBOUUWVVZJKWOZ-DHIUTWEWSA-N 489.529 -0.450 50 20 JBGD CO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN(C)NC(=O)NCc3ccccc3)C2)C1 1840210553 MIKWTVXDTGDTOL-WZONZLPQSA-N 477.562 -0.176 50 20 JBGD C[C@@H](Oc1ccccn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1840425899 GYMFBTNPWBCJPA-MWTRTKDXSA-N 484.513 -0.382 50 20 JBGD CC[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cc(C)c(O)nc3=O)CCO2)C1 1840808093 JKFMQFNBQDABSC-KUHUBIRLSA-N 487.351 -0.113 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CC2(CCCN2C(=O)[C@H](O)N2CCOCC2)C1 1844294430 OFVGTCGLYPUCRB-HOCLYGCPSA-N 460.959 -0.028 50 20 JBGD CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](C(=O)N2CCCC23CN(C(=O)c2cccc(B(O)O)c2)C3)C1 1845105734 XCPAJULJOWJJBT-ZWKOTPCHSA-N 473.335 -0.589 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN1CC(=O)NC1=O 1848069164 MRWAWZODPMCHDQ-AVGNSLFASA-N 457.915 -0.128 50 20 JBGD O=C1CN(S(=O)(=O)c2ccc(C(=O)NNC(=O)c3nn(-c4ccccc4)cc3O)cc2)CCN1 914462391 PWNMMPHMZDJLFS-UHFFFAOYSA-N 484.494 -0.227 50 20 JBGD NS(=O)(=O)c1cc(C(=O)NNC(=O)CNS(=O)(=O)c2cccc(F)c2)ccc1Cl 915789067 DBBBFJHDVBPWKH-UHFFFAOYSA-N 464.884 -0.134 50 20 JBGD CN(CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ncnn1C)CCO2)NC(=O)NCc1ccccc1 1780969582 IGUULKUQWBNNAX-JOCHJYFZSA-N 470.534 -0.395 50 20 JBGD C[Si](C)(C)OCC(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CSCN3C(=O)[C@@H]3CCC(=O)N3)C2)C1 1782873223 IWRVWAIPDFXCCL-GCKMJXCFSA-N 498.678 -0.152 50 20 JBGD C[C@@H](CBr)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1783965195 ALMYUSREUJGVAQ-CSFVBSKPSA-N 453.142 -0.009 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)O)C2)C1 1785612205 DQBDPNGEVUZDGU-JPYJTQIMSA-N 499.609 -0.147 50 20 JBGD COC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21 1787471987 ZLFPPALDXGMLEW-XSLAGTTESA-N 499.609 -0.121 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3c(O)cc(O)cc3O)C[C@@H]21 1791293733 GHWQVFPJWJWTRP-JDFRZJQESA-N 450.492 -0.230 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@H](N)c1cccnc1 1795682632 UXCWQUNRTZXXCC-ZDUSMZPESA-N 453.503 -0.627 50 20 JBGD CC(C)(C)OC(=O)N1[C@H]2C[C@H]2C[C@@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795741341 VFDVHHOFDSNFAC-DHTLZVBUSA-N 499.373 -0.033 50 20 JBGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1)c1cc2n(n1)CCNC2=O 1806082814 YSHFBBAFGOLICC-UWJYYQICSA-N 488.313 -0.665 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807374438 KTHCTZMBCVMQBE-AVRDEDQJSA-N 467.335 -0.546 50 20 JBGD CC(=O)N1CCN(CC(=O)NC[C@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)CC1 1809667876 GKNHEWLVMZBTDE-ZJSXRUAMSA-N 493.373 -0.755 50 20 JBGD O=C(Cn1cc([N+](=O)[O-])cn1)N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815350166 HJORNSBXJGXLLE-ZDUSSCGKSA-N 470.276 -0.146 50 20 JBGD COc1cc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)ccn1 1832595787 HZJTZQOHTCAHIC-DEOSSOPVSA-N 498.540 -0.209 50 20 JBGD CC(=O)Nc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)ccn1 1835936925 JZBMRPXEFHNQTD-QHCPKHFHSA-N 482.302 -0.896 50 20 JBGD N=C(N)SCCC(=O)N1CCC(OC2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1837863477 SMFAQBYYDVPPSX-UHFFFAOYSA-N 462.381 -0.005 50 20 JBGD Cn1ccc2c(O)ncc(C(=O)N3CCO[C@@]4(COCCN(C(=O)c5ccc(B(O)O)cc5)C4)C3)c21 1838437797 UOSVVHWBNSZRIA-XMMPIXPASA-N 494.313 -0.658 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)c1[nH]cc3c1CCC3)CCO2 1838452229 TVXTUEQMVBEZEW-QHCPKHFHSA-N 453.304 -0.433 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)NC=O)C2)C1 1838528426 WQHRVKTYGCQLPF-LHSJRXKWSA-N 478.458 -0.275 50 20 JBGD CNCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CN(C)NC(=O)NCc1ccccc1)CCO2 1839054067 FLVGJIODWPHMBE-XMMPIXPASA-N 490.605 -0.211 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CC(=O)N(C4CCCC4)C3)C2)C1 1840182286 DZCIVZQJUXOUTO-HOYKHHGWSA-N 493.605 -0.393 50 20 JBGD CC(C)(C)OC(=O)N1CC[C@H](C(=O)N2CC3(CCCN3C(=O)c3cccc(B(O)O)c3)C2)[C@H](O)C1 1843012965 VFJBLDFIMZZFBL-RBUKOAKNSA-N 487.362 -0.199 50 20 JBGD CCn1cnc2c1c(=O)n(CC(=O)NNC(=O)[C@H](C)N1C(=O)CCC1=O)c(=O)n2Cc1ccccc1 727723909 GFNFFPTXRVIIOT-AWEZNQCLSA-N 495.496 -0.887 50 20 JBGD O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)C1=CC=CN2CCS(=O)(=O)N=C12 921232829 YAPXNLNGFHJWCO-UHFFFAOYSA-N 458.544 -0.156 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)c3nc4ccc(F)cn4n3)CCO2)C1 1779037161 RISSOTIZVZFMTC-OAQYLSRUSA-N 468.449 -0.376 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)[C@@H]3[C@@H](O)CCN3Cc3ccccc3)C2)C1 1782811706 YBLLFJHGPVOGKG-FXSPECFOSA-N 493.369 -0.555 50 20 JBGD C[C@@H](Oc1ccccn1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786986443 BFDNAHWWZPUHCC-LQJIQPLVSA-N 453.304 -0.178 50 20 JBGD COc1cnc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cnccc4C(=O)NN)[C@H]3C2)cn1 1788610891 ZWVSOJMZKKGNNK-NUTKFTJISA-N 455.475 -0.609 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CC[C@@H]4CCC(=O)N4C3)C[C@@H]21 1791290938 SUGJXMUBTOQARZ-LFDJNIOPSA-N 463.579 -0.260 50 20 JBGD CC(C)(C)OC(=O)N1CC[C@@H]2C[C@]21C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1800772677 NMNBISHDRLBOSX-ZTDQHOIESA-N 499.373 -0.031 50 20 JBGD O=C(NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1)c1cc(=O)nc2cccnn12 1811335666 LBTOYULEWLCXMQ-MBSDFSHPSA-N 498.308 -0.202 50 20 JBGD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1cc3n(n1)CCNC3=O)CC2)c1cccc(B(O)O)c1 1815355549 VSHPWFNPNAJTHG-ZDUSSCGKSA-N 480.315 -0.698 50 20 JBGD O=C(CS(=O)(=O)N1CCCC1)Nc1nc2c(s1)C[C@@H](NC(=O)c1cccc(B(O)O)c1)CC2 1817271483 DPFKGOWDPFLCHQ-HNNXBMFYSA-N 492.388 -0.526 50 20 JBGD Cn1nc(C(=O)NC2CCN(C3CCN(C(=O)c4cccc(B(O)O)c4)CC3)CC2)cc1O 1833944531 LNKIPWWBYBZXRD-UHFFFAOYSA-N 455.324 -0.696 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC1CCN(C2CCN(C(=O)CCn3cncn3)CC2)CC1 1835738079 BYWKLMDHFAIQSA-UHFFFAOYSA-N 469.550 -0.448 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)c3ccncc3Cl)C2)C1 1835930171 AITGNBKXYWZJQS-OAQYLSRUSA-N 459.695 -0.201 50 20 JBGD O=C(c1ccnc(Cl)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835935684 ZZRYVXBCVHWYFB-OAQYLSRUSA-N 459.695 -0.201 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)c3cc(Cl)ncn3)C2)C1 1835938110 LZVHMADKFUJIRA-HXUWFJFHSA-N 460.683 -0.806 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)CCN3CCCC3)C2)C1 1837462869 USUSOYBFGDQUAI-JOCHJYFZSA-N 460.535 -0.759 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCC(OC2CCN(C(=O)CNC(=N)N)CC2)CC1 1837842421 BAZFITRLRAESIG-VULFUBBASA-N 460.539 -0.398 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCC(OC2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1837920778 DZIZXBLYWLBULG-UHFFFAOYSA-N 474.367 -0.648 50 20 JBGD O=C1NCCCn2nc(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)[C@H](F)Br)CCO4)cc21 1839200030 AHHAOYUXVUOSDR-KBXCAEBGSA-N 488.314 -0.223 50 20 JBGD C[C@H](NC(=O)c1ccccn1)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1839667366 LWYCJLDKCNZISK-SBUREZEXSA-N 490.561 -0.971 50 20 JBGD CCc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)nn1C 1840185557 PCYFQIVGFCUYOJ-NRFANRHFSA-N 450.540 -0.575 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CCCC12CN(C(=O)C[C@H]1NC(=O)NC1=O)C2 1844692162 OJSIRZJKBWRTNL-CQSZACIVSA-N 459.415 -0.065 50 20 JBGD Cc1nc(N2CCOCC2)sc1C(=O)NNS(=O)(=O)c1ccc(-n2cnnn2)cc1 747406681 IGGGTVZQQHFQIV-UHFFFAOYSA-N 450.506 -0.113 50 20 JBGD C=CCN1C(=O)C(=O)N(CC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)C1=O 748558245 WPFDMCZQYONNDL-UHFFFAOYSA-N 477.499 -0.401 50 20 JBGD CC(=O)NCCNC(=O)NNC(=O)Cn1c(=O)c2c(ncn2CC(C)C)n(Cc2ccccc2)c1=O 915894918 SAGFVUONBKGIHM-UHFFFAOYSA-N 498.544 -0.470 50 20 JBGD CCn1cnc2c1c(=O)n(CC(=O)NNC(=O)CCn1ccnc1)c(=O)n2Cc1ccccc1 920503116 PXZKIZYYWGTHCW-UHFFFAOYSA-N 464.486 -0.138 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CO)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](O)CCl)C2 1777963873 UFDLASSTFRLAQF-UJKGCTCZSA-N 463.959 -0.014 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1CCOC1=O)C2 1779371514 WOXNAFPBDZWBJN-IIBYNOLFSA-N 460.491 -0.735 50 20 JBGD Cn1cc(C(=O)N2CC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)c(C(F)(F)F)n1 1779542943 XJYVIUJRPZJIHS-IBGZPJMESA-N 466.225 -0.124 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)c3ccc(-n4cccn4)nc3)C2)C1 1779689650 WMDGKQXNOBWTFJ-HSZRJFAPSA-N 461.287 -0.296 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnc4snnc4c3)C2)C1 1780069863 ZBLSHZMPSJLIFM-HXUWFJFHSA-N 468.499 -0.158 50 20 JBGD CSCC[C@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21 1791306355 BGHWDDCVXFNVKT-STECZYCISA-N 451.549 -0.608 50 20 JBGD Cc1nc2ncccn2c1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1797006034 WNFSVWDQKXNQRX-XOIINTDNSA-N 464.486 -0.447 50 20 JBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nccc3nc[nH]c13)C2 1797750976 YHPJEJHMTXXHQY-DRXBFXEBSA-N 450.459 -0.527 50 20 JBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc3c(c1)CCNCC3)C2 1797754167 XKAMVDKVRYECNZ-UPHUGPLXSA-N 479.541 -0.715 50 20 JBGD COC[C@H](Cl)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cn1cnc3c1c(=O)n(C)c(=O)n3C)C2 1802272648 CJIMIUPSFHNZSS-CRWXNKLISA-N 466.926 -0.674 50 20 JBGD C[C@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)CNCP(=O)(O)O)C2)C1 1830537092 BHEWDLDMCVFBEU-DOMZBBRYSA-N 472.273 -0.801 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCC(N2CCC(NC(=O)CCSC(=N)N)CC2)CC1 1834709414 GFNPQSKQERAUFP-UHFFFAOYSA-N 455.629 -0.052 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC1CCN(C2CCN(C(=O)CNC(N)=O)CC2)CC1 1835118019 HTRKKEUSUKMJHW-VULFUBBASA-N 460.539 -0.640 50 20 JBGD Cn1ccnc1C(=O)N1CCC(N2CCC(NC(=O)c3cnccc3C(=O)NN)CC2)CC1 1835737230 YPHFDGAVXJLHGG-UHFFFAOYSA-N 454.535 -0.082 50 20 JBGD C[C@H](Cc1ccncc1)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835939081 DXDMKFXAVALIRX-HOYKHHGWSA-N 467.331 -0.290 50 20 JBGD O=C(CCc1c[nH]c2ncccc12)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835941484 LSJWHLAMPUHYOP-RUZDIDTESA-N 492.341 -0.055 50 20 JBGD CC(C)(C)n1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)nn1 1838759118 VSROGJSUSSDVPH-JOCHJYFZSA-N 486.533 -0.585 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CC(c3ccccc3)=NN1)CCO2 1839635392 RGVIOYDUDHYFNR-DHLKQENFSA-N 492.341 -0.797 50 20 JBGD CC[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)CCN3C(=O)C=CC3=O)C2)C1 1839962387 CKJYUZSQIFUPIE-KUHUBIRLSA-N 472.336 -0.069 50 20 JBGD C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1)N1CSCSC1 1840185942 WWXLCTNNIZFGNB-OXQOHEQNSA-N 489.664 -0.141 50 20 JBGD CN1CC(=O)N(CC(=O)NNC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)C1=O 725907747 PXSLYAAFOXKRFD-UHFFFAOYSA-N 459.484 -0.180 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(C1)CN(C(=O)c1cnn3c1OCCC3)CCO2 1779036675 CPTVVGRBTXICLV-NRFANRHFSA-N 455.475 -0.579 50 20 JBGD COc1ccnc(C(=O)N2CC[C@]3(CN(C(=O)c4cnccc4C(=O)NN)CCO3)C2)c1OC 1780449982 NVLSMDYPEISMEU-JOCHJYFZSA-N 470.486 -0.145 50 20 JBGD C[C@@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2)N1CCN(C)CC1 1780639654 QBAVLZZLIIRHTE-SNYIIPAISA-N 472.395 -0.870 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)[C@H]3C[C@@]34C(=O)Nc3ccccc34)C2)C1 1783494291 KWHLICIZNITPAR-WVQWTBLQSA-N 475.310 -0.280 50 20 JBGD C[C@@](Cl)(CCl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(=O)n4[nH]nnc4n3)[C@H]2C1 1787270835 WBYCKCDKVWMVNJ-WOLPVMLTSA-N 458.306 -0.358 50 20 JBGD COC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc4n(n3)CCCNC4=O)[C@H]2C1 1788258823 XWMDKWBFNVQNBQ-WSMBLCCSSA-N 453.927 -0.136 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnn4ccncc34)C[C@@H]21 1788611213 OYUJLHMZTSDKAH-IXDGSTSKSA-N 464.486 -0.365 50 20 JBGD O=C1CC[C@@H](C(=O)N2CSC[C@@H]2C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](F)Cl)C3)N1 1800337319 VLCIFQDFBVKBRG-SYPGZIFDSA-N 462.931 -0.710 50 20 JBGD C[C@H](CS(C)(=O)=O)C(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807360300 QUQAEIHXXRRSOT-BPAFIMBUSA-N 473.360 -0.238 50 20 JBGD O=C(O)CSCC(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807373316 BHRHSMRLOROZQT-OXJNMPFZSA-N 457.317 -0.101 50 20 JBGD CN(CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(B(O)O)c2)CC1)C(=O)C(=O)O 1831163169 KEYHHUIOZWYSOX-GOSISDBHSA-N 459.308 -0.857 50 20 JBGD CN(CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc[nH]n1)CCO2)NC(=O)NCc1ccccc1 1831767010 TYJRLZOZUCQPLP-QHCPKHFHSA-N 485.545 -0.174 50 20 JBGD C[C@H](Nc1cccnc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1835689256 APLSJQUDWXGSGK-HJPURHCSSA-N 483.529 -0.349 50 20 JBGD CC(C)NC(=O)OC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835939327 MHXKSRHBBCPSLO-QHCPKHFHSA-N 491.350 -0.650 50 20 JBGD CC(=O)N1CCN(CC(=O)N2CCO[C@]3(COCCN(C(=O)C(Cl)Cl)C3)C2)CC1 1836770008 XEEQUZMSKCTRHY-GOSISDBHSA-N 451.351 -0.589 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c(c3)CC(=O)N4)C2)C1 1837459103 ITLDSBYEQPYANJ-XMMPIXPASA-N 494.508 -0.437 50 20 JBGD O=C(CCc1cnc2[nH]ccc2c1)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1840080713 ZPTOEIDKGYBLLC-VWLOTQADSA-N 492.341 -0.055 50 20 JBGD CC(C)(C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1)c1ccccn1 1840328582 KVPDNYWSBGWNII-DEOSSOPVSA-N 467.331 -0.191 50 20 JBGD CCN1CCC(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)CC1 1840928988 ULMYKJYMFQHWGX-HSZRJFAPSA-N 474.562 -0.513 50 20 JBGD Cc1noc(C)c1S(=O)(=O)NCC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 17516849 OPTMNZFFMLBTMS-UHFFFAOYSA-N 485.544 -0.185 50 20 JBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NCCNC(=O)c3cccnc3)nc2)CC1 916443592 NNDUBSVQLAYQSW-UHFFFAOYSA-N 462.536 -0.531 50 20 JBGD COc1cc2c(cc1OC)[C@H](CC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)N(S(C)(=O)=O)CC2 920297804 PLWHVOQJJYYCIU-RISCZKNCSA-N 492.576 -0.962 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)c3ccc([N+](=O)[O-])c4c3OCO4)C2)C1 1780234457 ASVVQUXUZWRBAU-JOCHJYFZSA-N 483.242 -0.239 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=N)N)C[C@@H]21 1785076451 IFPJMTTUKQDCCI-XUXIUFHCSA-N 460.963 -0.419 50 20 JBGD COC(=O)c1ccccc1CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795732786 JWJOMIFWEUKLBS-BBIADKPPSA-N 480.326 -0.011 50 20 JBGD C[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1)[S@](=O)c1ccccc1 1795736958 RZAGSZAGDQJBAZ-FGOLEYRISA-N 470.356 -0.234 50 20 JBGD Cc1cc(C)n2ncc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)c3cnccc3C(=O)NN)C4)c2n1 1796920585 ZHZROIQVCBXICY-CCWDJLKJSA-N 478.513 -0.138 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@H](CNC(=O)CCN2C(=O)C=CC2=O)[C@H]1c1cccnc1 1803917650 OJYPHZURWUMKTR-KSFYIVLOSA-N 491.508 -0.285 50 20 JBGD CS(=O)(=O)CCC(=O)N1CC[C@H](CNC(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1810308651 LGGCLXFDIFLGMD-DNVCBOLYSA-N 474.543 -0.166 50 20 JBGD CCS(=O)(=O)N[C@H](C)C(=O)N1CC[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1813068346 LFCYITZRCHNUPG-SYNHAJSKSA-N 482.607 -0.212 50 20 JBGD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H]1CCCS1(=O)=O)CC2)c1cccc(B(O)O)c1 1815360490 RHZQVLCUAONMTR-BBRMVZONSA-N 463.346 -0.374 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)c3noc4c3CCCC4)C2)C1 1835935496 HSGQILVUBQMCEX-QHCPKHFHSA-N 469.303 -0.383 50 20 JBGD O=C(c1ccc2c(c1)OCO2)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835936875 GZZZBVPWHNMNLL-QHCPKHFHSA-N 468.271 -0.521 50 20 JBGD NC[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1)c1ccccc1 1837457556 JDKBGBDKOHBXEU-YADARESESA-N 482.541 -0.502 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837493524 IRDMJFKTPUVPJA-QHCPKHFHSA-N 464.563 -0.486 50 20 JBGD C[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1)N1CCN(C)CC1 1837714463 HIIMPQZZUBVXFI-GHTZIAJQSA-N 456.660 -0.070 50 20 JBGD CC[C@@H](NC(N)=O)C(=O)N1CCC(OC2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1 1838069545 VMKWLKINERPYQB-QGZVFWFLSA-N 454.572 -0.195 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@]2(COCCN(C(=O)C3=NNC(=O)C3)C2)C1 1838528033 BBOLIMYIWAWUSB-OAQYLSRUSA-N 489.441 -0.534 50 20 JBGD O=C1CSc2ncc(C(=O)N3CCO[C@@]4(COCCN(C(=O)[C@@H](O)CCl)C4)C3)cc2N1 1839576995 FPOPDSJEZIIKHB-LIRRHRJNSA-N 470.935 -0.205 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cnc4ccccc43)CCO2)C1 1840101999 AIXCUVHCTUVJRQ-DEOSSOPVSA-N 493.524 -0.195 50 20 JBGD COCCn1cnc2c1c(=O)n(CC(=O)NNC(=O)c1cccnc1)c(=O)n2Cc1ccccc1 10161609 YEAPIURNXNANDJ-UHFFFAOYSA-N 477.481 -0.089 50 20 JBGD CNC(=O)NNC(=O)C1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1 919877974 WGGYYJOZLRSZAL-UHFFFAOYSA-N 470.508 -0.208 50 20 JBGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)C2)C1 1778116067 GHCIHQHSODDZFC-CRAIPNDOSA-N 451.973 -0.258 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)c3ccc4c(c3)NC(=O)CO4)CCO2)C1 1779031716 DUGLSCCFWUKTCN-QHCPKHFHSA-N 480.481 -0.227 50 20 JBGD Cn1ccc(=O)cc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2 1780057875 MWMFRCSIRHFJSB-NFBKMPQASA-N 453.304 -0.494 50 20 JBGD CC(C)(C)OC(=O)N[C@H](CCO)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]2C1 1784083930 IGIXZKHNAQWIOP-QMHWVQJVSA-N 463.959 -0.159 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21 1788611401 ZGAKQPJCKOFGPE-NTOLXHEASA-N 474.518 -0.193 50 20 JBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=O)c1cccs1)C2 1797749736 LYZRNARSILHPAR-IVWMJMPLSA-N 472.527 -0.620 50 20 JBGD CC(C)(C)OC(=O)N[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2)C(C)(C)O 1802152187 TULIBGDZOHBDAA-XLWJZTARSA-N 463.959 -0.160 50 20 JBGD CN(C)C(=O)NCC(=O)NC[C@@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1802680908 PROZXIAJYFFZCO-KXBFYZLASA-N 468.518 -0.329 50 20 JBGD O=C(Cn1ccccc1=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807439700 XNDNTOJYNJJIFP-AUSIDOKSSA-N 460.299 -0.057 50 20 JBGD CCOC(=O)N[C@H](O)C(=O)NC[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1810093811 IKBVKUOZLHAUOE-QKYXUNIQSA-N 464.523 -0.475 50 20 JBGD O=C([C@H](O)CCl)N1CCO[C@@]2(COCCN(C(=O)[C@H]3C[C@@]34C(=O)Nc3ccccc34)C2)C1 1830736877 XFQNXQBJJMLEFI-VIDZHXABSA-N 463.918 -0.048 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1)c1cnc(O)nc1O 1835068938 DYPITWXTDSQPFD-UHFFFAOYSA-N 469.307 -0.933 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc3ccnn3c1)CCO2 1839569755 YLUNDKKOIWDVLN-QHCPKHFHSA-N 464.287 -0.602 50 20 JBGD CN(CC(=O)N1CCOC[C@@]2(CN(C(=O)CCC(N)=O)CCO2)C1)NC(=O)NCc1ccccc1 1839864742 MJVNAMHYFAZPLC-HSZRJFAPSA-N 490.561 -0.946 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnnc(Cl)c3)C2)C1 1840183541 LFKHVYCLJFWRGW-LJQANCHMSA-N 454.915 -0.427 50 20 JBGD Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)CCC(=O)NNC(=O)CN(C)C)CC2)c1 727761540 MLWRUCOHBGYXFH-UHFFFAOYSA-N 453.565 -0.374 50 20 JBGD NC(=O)CC[C@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)NNC(=O)c1ccccc1F 771789494 XCJSAFGGSDIWEX-HNNXBMFYSA-N 480.474 -0.030 50 20 JBGD C[C@@H](NS(=O)(=O)c1cccs1)C(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 914854478 JNPXNBIHZOEKFO-RISCZKNCSA-N 469.497 -0.055 50 20 JBGD CCCS(=O)(=O)CC(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 919805864 XAELDRKBNGTOSY-UHFFFAOYSA-N 461.562 -0.388 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1ON=C(c3ccccc3)O1)CCO2 1783934318 DQHLRULYTUWNMQ-FCHUYYIVSA-N 459.503 -0.076 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)[C@@H](O)Cc1ccccc1 1790954856 JXQWJJPYBVSKIA-QESAQDPVSA-N 452.316 -0.437 50 20 JBGD C[S@](=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2 1792795527 SVVOJJCOUQXQCM-HILCORGGSA-N 496.026 -0.162 50 20 JBGD CS(=O)(=O)c1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(B(O)O)cc2)nc1 1796188337 RAVUBGGPNMDGQX-BJWYYQGGSA-N 457.317 -0.270 50 20 JBGD CN(CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)no1)NC(=O)NCc1ccccc1 1798205610 XOAHUBJTYVWSTP-CWPLJXCYSA-N 472.502 -0.070 50 20 JBGD CN(C)NC(=O)CCC(=O)N[C@@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815361778 ROWDMSIOAULFKK-CQSZACIVSA-N 459.337 -0.578 50 20 JBGD COC[C@H](NC(C)=O)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cnccc1C(=O)NN)CC2 1820193474 XGADDYNBFOOQKA-NHYWBVRUSA-N 475.531 -0.482 50 20 JBGD NNC(=O)c1ccncc1C(=O)N[C@H]1CCc2nc(NC(=O)[C@H]3CCNC(=O)C3)sc2C1 1826222268 NIRDSQKJXYYBRW-QWRGUYRKSA-N 457.516 -0.106 50 20 JBGD O=C1COc2ccc(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)[C@@H](O)CCl)CCO4)cc2N1 1830731907 RWBUTBZUSJNHRS-MGPUTAFESA-N 453.879 -0.313 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCc3ccccc3[C@H]1O)CCO2 1830821303 DCKZEYAHLJTAKO-ZEVJAHDQSA-N 494.353 -0.268 50 20 JBGD CCS(=O)(=O)N[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@H](O)CCl)CC2)CC1 1833449398 XJQSNZPUZDHQNG-CZUORRHYSA-N 453.005 -0.515 50 20 JBGD C[C@H](NC(=O)c1cnccn1)C(=O)N1CCOC[C@@]2(CN(C(=O)CCBr)CCO2)C1 1834823491 XCCFQKUJEPRJME-IFXJQAMLSA-N 484.351 -0.164 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)c1ccccc1)CCO2 1835287028 OSYSFBWHMXQQTG-NZQKXSOJSA-N 454.288 -0.830 50 20 JBGD CC(=O)Nc1cccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)c1 1835934571 ZCKWNJYCVVDGBB-XMMPIXPASA-N 481.314 -0.291 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnn3cccnc13)CCO2 1836848215 MTVIFYBMIRCTLD-QFIPXVFZSA-N 480.485 -0.888 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccn(-c3ccccc3)n1)CCO2 1838745389 VRLSTAOHCCASTK-RUZDIDTESA-N 490.325 -0.064 50 20 JBGD CC(C)(C)OC(=O)N1C(=O)CC[C@@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1840290159 YZRNMCIRNUXWHW-VTJXTGGHSA-N 489.953 -0.031 50 20 JBGD CS(=O)(=O)Nc1ccc(O)c(C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c1 728333560 JBUICRMHLBJKFE-INIZCTEOSA-N 465.440 -0.092 50 20 JBGD O=C(NCc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1)NNC(=O)C(=O)N1CCCC1 748458521 BJQYARWVXPFGAQ-OAHLLOKOSA-N 453.521 -0.403 50 20 JBGD CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 919889602 PQHYEFLSYOYERR-NVXWUHKLSA-N 486.572 -0.050 50 20 JBGD Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NNC(=O)N[C@H]3CCS(=O)(=O)C3)C2)s1 919889650 QVMVSLFWGRNPIQ-OLZOCXBDSA-N 464.591 -0.025 50 20 JBGD COCCN1C(=O)/C(=C\NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)C(=O)NC1=S 920976502 VNQLJOYKHAPNTO-QINSGFPZSA-N 481.556 -0.521 50 20 JBGD CN(CC(=O)N1CC[C@]2(C1)CN(C(=O)CN1C(=O)C=CC1=O)CCO2)NC(=O)NCc1ccccc1 1780969791 PWHFPMVVMBERIW-DEOSSOPVSA-N 498.540 -0.913 50 20 JBGD CN(C)c1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)cn1 1789025705 UOJRUTQDJOTKSB-IHPCNDPISA-N 452.320 -0.266 50 20 JBGD COC[C@H](NC(C)=O)C(=O)N1CC[C@H](CNC(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1810302337 IITJUEUIDBNHJS-UXPWSPDFSA-N 483.529 -0.449 50 20 JBGD CC(=O)N[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1812650506 OMLXPMQQXWGCRY-ACWOFJMJSA-N 453.503 -0.076 50 20 JBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1CCc2nc(NC(=O)[C@H](O)N3CCOCC3)sc2C1 1819886153 GEEHCSXTJFOCJW-WYRIXSBYSA-N 475.531 -0.982 50 20 JBGD O=C(CN1C(=O)C=CC1=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827060692 XEBFDUWHLDIPRU-LJQANCHMSA-N 453.304 -0.475 50 20 JBGD C[C@@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)CS(=O)(=O)N3CCCC3)C2)C1 1830538750 ORQPBEMAPUCWCY-YJBOKZPZSA-N 496.424 -0.101 50 20 JBGD COC[C@H](NC(C)=O)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)CBr)CCO2 1830539285 GCPUDIJSBRSNEE-DHSIGJKJSA-N 464.357 -0.375 50 20 JBGD O=C(OCCO)c1ccccc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830732605 UHVRIDIYYBHNQA-LAUBAEHRSA-N 470.906 -0.495 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCCN1C)CCO2 1832060751 SCWZZDVBGQLBEF-LWIOAKLZSA-N 460.535 -0.329 50 20 JBGD C[C@](Cl)(CCl)C(=O)N1CCOC[C@]2(CN(C(=O)C[C@@H]3NC(=O)NC3=O)CCO2)C1 1832696613 FECZKVDVYDHSML-GOPGUHFVSA-N 451.307 -0.723 50 20 JBGD C[C@H](C(=O)N1CCC(N2CCC(NC(=O)[C@@H](O)CCl)CC2)CC1)[C@H]1SC(=N)NC1=O 1833310810 TXWSNBNSUPURKZ-TUKIKUTGSA-N 460.000 -0.040 50 20 JBGD Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)n(C)n1 1834162084 ZVWMKPFARHGHIV-OAQYLSRUSA-N 457.491 -0.889 50 20 JBGD CC(C)(C)c1cnc(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)cn1 1835928431 PUKHBZLWNYBBDB-DEOSSOPVSA-N 482.346 -0.162 50 20 JBGD Cc1nc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)c(C)s1 1835934996 BGZISZYEZDMRKS-QFIPXVFZSA-N 473.360 -0.248 50 20 JBGD COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)cc1 1835935329 AYPYGWFGOCXJBE-DEOSSOPVSA-N 468.315 -0.312 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)c3cc[nH]c4nccc3-4)C2)C1 1835935894 WEKZCQOSPHXAKW-QHCPKHFHSA-N 464.287 -0.422 50 20 JBGD O=C(Cc1cc(F)cc(F)c1)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1836120324 MTHJVIOQITZZOB-HSZRJFAPSA-N 474.269 -0.043 50 20 JBGD O=C(c1n[nH]c2c1CS(=O)(=O)C2)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1836259128 CKVUZWYHPJENMA-XJKSGUPXSA-N 495.327 -0.401 50 20 JBGD CC(=O)Nc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)o1 1837454937 PZPMGXOTALXNBF-NRFANRHFSA-N 465.507 -0.319 50 20 JBGD Cc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)cc(O)n1 1837457687 MXPMYOMSTBCKEO-JOCHJYFZSA-N 470.486 -0.522 50 20 JBGD Cc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)ncc1[N+](=O)[O-] 1837457725 NOHGSSWRCHNDJQ-QFIPXVFZSA-N 499.484 -0.319 50 20 JBGD C[C@](Cl)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)C[C@H]3NC(=O)NC3=O)C2)C1 1839150722 VTFPAQUFYHPXOS-NVGVWMPQSA-N 451.307 -0.723 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1onc3ccccc13)CCO2 1839545135 OTDJXZLFESVRAN-HSZRJFAPSA-N 465.271 -0.109 50 20 JBGD COc1cccnc1CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCC(=O)NN(C)C)CCO2 1840182504 KEXICFNRRDMRRT-HSZRJFAPSA-N 477.562 -0.148 50 20 JBGD CC(=O)O[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1)C(C)C 1840184410 KOZGJDMVYOPSPN-FPOVZHCZSA-N 456.540 -0.597 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn4ccncc34)C2)C1 1840184469 PCNXMDKJINYDMJ-NRFANRHFSA-N 459.507 -0.828 50 20 JBGD C[C@@H](Oc1ccccn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1840424335 ITEHWXNUTQYVJW-HXOBKFHXSA-N 469.303 -0.701 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)c2cccc(N3CCOCC3)n2)C1 1843527000 BMIOOMVXDWFHJE-UHFFFAOYSA-N 450.304 -0.271 50 20 JBGD COc1cc2c(cc1OC)[C@H](CC(=O)NNC(=O)NCCCNC(C)=O)N(S(C)(=O)=O)CC2 916521977 SOVPHLPWOVHUNP-INIZCTEOSA-N 485.563 -0.191 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3COc4ccccc4O3)C[C@@H]21)c1ccc(B(O)O)cc1 1786980217 WPCIGDVFCRVYCE-KCOOCBJMSA-N 466.299 -0.200 50 20 JBGD CC(C)NC(=O)OC(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786981779 KYCHHYKUMIIVLF-WDSOQIARSA-N 475.351 -0.127 50 20 JBGD Cc1nc[nH]c1CSCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1788536358 WTPCSTCZFYQDTE-QRFRQXIXSA-N 472.376 -0.075 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCCCC3=O)[C@H]2C1 1791181593 HFPCZVVLPXTVBZ-WBAXXEDZSA-N 458.519 -0.709 50 20 JBGD NC[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2)c1ccccc1 1795674289 VZHJSPXJPCKCFR-WQDJSCAQSA-N 452.515 -0.369 50 20 JBGD CC(C)(C)OC(=O)N1CC[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)C1 1797221459 VHLRUOHVRKLKHB-GNBUJSLZSA-N 487.362 -0.173 50 20 JBGD CN(CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(CO)on1)C2)NC(=O)NCc1ccccc1 1799097919 WYKABFQKTUYQDA-UPHUGPLXSA-N 486.529 -0.284 50 20 JBGD CS(=O)(=O)CCC(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807375198 QBLLHTDETPMAGH-PXNSSMCTSA-N 459.333 -0.484 50 20 JBGD O=C(Cn1ccccc1=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807439708 XNDNTOJYNJJIFP-XXBNENTESA-N 460.299 -0.057 50 20 JBGD CS(=O)(=O)Cc1ncccc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830724866 IXTRKDDKXWTWRY-APWZRJJASA-N 475.951 -0.704 50 20 JBGD COc1cccnc1CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1832862955 OSDSZAWYCQEMEH-DEOSSOPVSA-N 483.330 -0.527 50 20 JBGD C[C@@H](CS(C)(=O)=O)C(=O)NC1CCN(C2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1 1833485592 UZAWCHYCXQOWGE-INIZCTEOSA-N 473.640 -0.388 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)CCn3cncn3)CC2)CC1)c1ccc(B(O)O)cc1 1834798830 CSVPVFYPCJFFKD-UHFFFAOYSA-N 454.340 -0.767 50 20 JBGD N#C/C(=C\c1ccc(F)cc1F)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=N)N)CCO2)C1 1835578141 HGOQGAQMCXUPQQ-JMDQKNPTSA-N 462.457 -0.189 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)c3ccc4[nH]ccc4n3)C2)C1 1835930328 GSQPHYQCQMSUDN-QHCPKHFHSA-N 464.287 -0.374 50 20 JBGD O=C(Cc1ccc(F)cn1)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1836032403 MXZKUIYBCAPJRT-JOCHJYFZSA-N 457.267 -0.787 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1ON=C(c3ccccc3)O1)CCO2 1837297675 YFEGJKFUOGXGGY-DHIUTWEWSA-N 489.529 -0.450 50 20 JBGD Cc1nscc1C(=O)N1CCOC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837456940 QFPAKGAZLUUXGB-HXUWFJFHSA-N 460.516 -0.166 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4cccn4cn3)C2)C1 1837458865 FSQOPDOZGVAFBG-QHCPKHFHSA-N 479.497 -0.283 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnc4c3OCO4)C2)C1 1837459990 QHVPPYWZOGBJMQ-JOCHJYFZSA-N 484.469 -0.807 50 20 JBGD Cc1cnn([C@H](C)C(=O)N2CCOC[C@]3(CN(C(=O)c4cnccc4C(=O)NN)CCO3)C2)c1 1837461406 VOCUUTSHLSEKMI-OPAMFIHVSA-N 471.518 -0.479 50 20 JBGD C[C@@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)c3nccnc3C(N)=O)CCO2)C1 1838324664 YIZJEKQCCISEHX-KPZWWZAWSA-N 470.324 -0.324 50 20 JBGD CN(CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc[nH]n3)C2)C1)NC(=O)NCc1ccccc1 1839054127 IHDDTTBCLVUEHK-QFIPXVFZSA-N 486.533 -0.779 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(CN(C(=O)c3cn4c(F)cccc4n3)CCO2)C1 1839555382 LZQZRXUESMQIHN-HSZRJFAPSA-N 497.487 -0.144 50 20 JBGD Cc1cc(C)n(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)CCC(=O)NN(C)C)CCO3)n1 1840186014 WIHWGJFZTNDUPB-JOCHJYFZSA-N 464.567 -0.281 50 20 JBGD CC(=O)N1CCC(NC(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 1317852665 KZKFLUNYOUQKHF-UHFFFAOYSA-N 481.575 -0.019 50 20 JBGD CC(=O)N(C)[C@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cnccc1C(=O)NN)C2 1778105858 SRDKFHKFBLWERI-JPEVHGAISA-N 460.535 -0.321 50 20 JBGD COC(=O)C12CC(C(=O)NC[C@@]34CCCO[C@@H]3CCN(C(=O)c3cccc(B(O)O)c3)C4)(C1)C2 1781957623 FVBVEPFGXBFUHD-KMDVNRPESA-N 470.331 -0.163 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1nccn1)C2 1793879051 CSLTYDAWJIGXCI-FQLMCAECSA-N 456.931 0.000 50 20 JBGD CN(CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)no1)C2)NC(=O)NCc1ccccc1 1799097914 WSXJNHYKZUHBNG-CWPLJXCYSA-N 472.502 -0.070 50 20 JBGD O=C1NCCCn2nc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)[C@@H](F)Br)cc21 1799350395 YNLXBMIPDBBXPP-RDBQEKCUSA-N 458.288 -0.090 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1cccc(N2CCOCC2)c1 1799610899 VYNQQOCVEYRGTD-JHDGKUDLSA-N 479.342 -0.280 50 20 JBGD CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCC2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)CC1 1809980243 QCDUBMJKAPBZDJ-OAQYLSRUSA-N 481.362 -0.318 50 20 JBGD CC(=O)OC[C@H](OC(C)=O)C(=O)NC[C@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1810340077 FNUUQPPUJWRFRD-XQBPLPMBSA-N 491.545 -0.045 50 20 JBGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1)[C@H](O)N1CCOCC1 1819445287 UGCBJHCQWSBNFC-UWJYYQICSA-N 457.296 -0.954 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccnc1S)CCO2 1829797789 PVWTYSTZBBVVBY-OAQYLSRUSA-N 472.527 -0.247 50 20 JBGD CCOc1cnc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)cn1 1833435692 AOFPWCLCPAOJBQ-NRFANRHFSA-N 464.523 -0.682 50 20 JBGD C[C@@](Cl)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc4n(n3)CCNC4=O)CCO2)C1 1834564226 UXQOIBQPTIBXSU-RTBURBONSA-N 474.345 -0.067 50 20 JBGD C[C@@](O)(CC(=O)O)CC(=O)N1CCC(N2CCC(NC(=O)c3cnccc3C(=O)NN)CC2)CC1 1835738087 CVNGQYNTAQNVNW-QHCPKHFHSA-N 490.561 -0.514 50 20 JBGD CC(C)c1nc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)co1 1835927025 BTFKWWIDNNEKAK-JOCHJYFZSA-N 457.292 -0.138 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)c3cc(-c4ccco4)no3)C2)C1 1835928287 IJLXOOZZIHNBPT-HSZRJFAPSA-N 481.270 -0.002 50 20 JBGD Cn1nc(C(F)(F)F)cc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835930937 ANYYNXKPORXXJJ-HXUWFJFHSA-N 496.251 -0.498 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1835931007 CNAQMADYDUPFNV-PBHICJAKSA-N 459.077 -0.873 50 20 JBGD COc1ncc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)cc1F 1835935402 QXVJEMGBQRWECF-QFIPXVFZSA-N 473.266 -0.707 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(CN(C(=O)c3cnccc3F)CCO2)C1 1836315673 BVWYEBQZYFLPNP-OAQYLSRUSA-N 458.450 -0.397 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1n[nH]c3ccc(F)cc13)CCO2 1837039470 RHCNXDCIOPLGTG-HSZRJFAPSA-N 482.277 -0.234 50 20 JBGD Cc1ncsc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837456436 HWAZAHKNSKNHDY-HXUWFJFHSA-N 460.516 -0.166 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccccc1C(N)=O)CCO2 1839350497 HIOJQLDTOWCCIW-UJBXUPAJSA-N 496.524 -0.011 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn4ncccc4n3)C2)C1 1840184479 PIQJHFSLTAAFTC-NRFANRHFSA-N 459.507 -0.828 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(Cl)ncn3)C2)C1 1840184797 AMXNRCVZZVFNAA-LJQANCHMSA-N 454.915 -0.427 50 20 JBGD CCC[C@@H](NC(C)=O)C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840186633 BSANNZMVWBLSMM-UTKZUKDTSA-N 455.556 -0.879 50 20 JBGD COC(=O)c1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)cc1 1840279561 UUQQOWQXUBZFLR-DEOSSOPVSA-N 490.557 -0.155 50 20 JBGD CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)Br)C2)C1 1840371889 GYRWCKIHTVMYHD-NRXGSXMXSA-N 486.367 -0.303 50 20 JBGD C[C@@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)CCS(C)(=O)=O)CCO2)C1 1840548150 OOWJAUWWVUVVKM-BBRMVZONSA-N 455.371 -0.092 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC2(CCCN2C(=O)c2ccc(CS(C)(=O)=O)nc2)C1 1843216828 YPSKFLAIQUASNM-UHFFFAOYSA-N 451.549 -0.184 50 20 JBGD Cc1csc(CC(=O)NNC(=O)COC(=O)CNS(=O)(=O)c2ccc3c(c2)COC3)n1 728730165 IPDNXEKQDQRHTK-UHFFFAOYSA-N 468.513 -0.307 50 20 JBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 729276077 WPWFKVVPGUZLHE-UELRPHRMSA-N 458.562 -0.216 50 20 JBGD O=C(CCNS(=O)(=O)c1cccc(Br)c1)NNC(=O)N[C@H]1CCS(=O)(=O)C1 919886385 VZYCNNOZZKQRGP-NSHDSACASA-N 483.366 -0.365 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1CCc3nc(O)nc(O)c3C1)CCO2 1779028340 JNZOMKSGDRAYIJ-JCQPUDPBSA-N 497.512 -0.865 50 20 JBGD CCOC(=O)C1(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2ccc(B(O)O)cc2)C3)CC1 1781622848 XEABPFUCLFMDFG-XMSQKQJNSA-N 458.320 -0.163 50 20 JBGD O=C(COc1ccc(O)cc1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1783840046 DDOSPKDHIUTZMN-NDXORKPFSA-N 454.288 -0.256 50 20 JBGD CN(CC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CCNC(=O)C3)C2)C1)NC(=O)NCc1ccccc1 1784042455 ZUMMBROFTRLDQV-NTKDMRAZSA-N 486.573 -0.311 50 20 JBGD C[C@@H](O)[C@H](NC(=O)c1ccccc1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]2C1 1784083607 DEKJSOLCEFPPKB-PFFQMSPKSA-N 467.950 -0.255 50 20 JBGD CC(C)c1nc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)no1 1785210114 PCGMESDJBHBQDP-SZMVWBNQSA-N 456.308 -0.291 50 20 JBGD CN(C)C(=O)c1cccc(C(=O)N2CC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)c1 1785283182 PAAORCPCVYQMEV-XMMPIXPASA-N 465.315 -0.175 50 20 JBGD C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1785574740 QMDMPJXIQSVKMS-DVECYGJZSA-N 485.346 -0.274 50 20 JBGD Cc1nc(N)sc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21 1786917196 CZFLDHHOSBLTMR-CQDKDKBSSA-N 459.532 -0.061 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=O)c3cccs3)C[C@@H]21 1788611759 ZTHBVLMUDTYIPE-JQFCIGGWSA-N 486.554 -0.230 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cccc([N+](=O)[O-])c3=O)[C@H]2C1 1790654215 ZMERLZMOIHPSFD-OWQGQXMQSA-N 499.484 -0.952 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CC(=O)NC1=O 1793829589 DSXZAZABGOFVPS-ZWUHOBOKSA-N 487.941 -0.740 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)[C@H]1SC(=N)NC1=O 1796425114 MFQYJFOWTSVSDA-HKASJDOOSA-N 489.558 -0.488 50 20 JBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)N1CCCC1)C2 1797748457 CYDGXEXBSJTSQJ-YVWYUNDQSA-N 458.519 -0.709 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H](O)N2CCOCC2)n[nH]1 1819445710 CFDOSJNDFWKIIF-IIBYNOLFSA-N 472.506 -0.635 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(Cl)cnc1O)CCO2 1829561854 QWYFXAAWHPKBMM-NRFANRHFSA-N 490.904 -0.177 50 20 JBGD C[C@H](CS(C)(=O)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1831465361 ZLQAXQXFFCXSDM-LALPHHSUSA-N 459.334 -0.186 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)[C@H]3CNc4ccccc43)C2)C1 1835928764 YHTBFEDZDIDADR-GBXCKJPGSA-N 465.315 -0.354 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)c3ccccc3)C2)C1 1835935698 MNSJDUQMYFPYBR-REWPJTCUSA-N 454.288 -0.830 50 20 JBGD C[C@@H](Nc1ccccc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1837336305 GSWVIVYIUOGBEW-KOSHJBKYSA-N 467.331 -0.063 50 20 JBGD Cc1n[nH]c(C)c1CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnccc1C(=O)NN)CCO2 1837459319 CPANWLSRDLCCTF-JOCHJYFZSA-N 471.518 -0.662 50 20 JBGD C[C@H]1CCc2c(C(=O)N3CCOC[C@@]4(CN(C(=O)c5cnccc5C(=O)NN)CCO4)C3)n[nH]c21 1837459437 PAWYHZXOZCLVFF-LFVRLGFBSA-N 483.529 -0.158 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)CC[C@@H]3CCOC3)C2)C1 1837461351 UTOSCAPYAVTXIH-OPAMFIHVSA-N 461.519 -0.428 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCC(OC2CCN(C(=O)[C@H]3CCCS3(=O)=O)CC2)CC1 1837921613 SBCSQKCASMEFQB-HXUWFJFHSA-N 478.376 -0.444 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC[C@H]4CCC(=O)N4C3)C2)C1 1840184952 GMKXDGNPWHAMHY-IUKKYPGJSA-N 479.578 -0.783 50 20 JBGD CC(C)(C)OC(=O)N1CCC(O)(C(=O)N2CCCC23CN(C(=O)c2cccc(B(O)O)c2)C3)CC1 1841788841 XDRQFQZWTGGMCY-UHFFFAOYSA-N 487.362 -0.055 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843010313 BRDPHASRKKTUAX-KRWDZBQOSA-N 461.324 -0.541 50 20 JBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)cc1 17406666 SSYLMQORKKREAA-UHFFFAOYSA-N 467.529 -0.739 50 20 JBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NC[C@@H]3CN4CCC[C@@H]4CO3)nc2)CC1 729619736 STPQFBWMTPJHKR-HZPDHXFCSA-N 453.569 -0.493 50 20 JBGD CCn1cnc2c1c(=O)n(CC(=O)NNC(=O)CS(=O)(=O)C(C)C)c(=O)n2Cc1ccccc1 918016087 CZPBGNZVJLJJJI-UHFFFAOYSA-N 490.542 -0.602 50 20 JBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2)c1ccc2nncn2c1 1779065586 DCKWOIZXSLVCAX-AUSIDOKSSA-N 463.303 -0.150 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CC[C@@H]4CCC(=O)N4C3)C[C@@H]21)c1ccc(B(O)O)cc1 1786981871 NTVRDEXGNASWOR-RKNHFHLDSA-N 469.347 -0.639 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3Cc4ccccc4O3)C[C@@H]21)c1cccc(B(O)O)c1 1786983007 KPXQMUGSHFYJCE-BZNRXQDOSA-N 450.300 -0.037 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCc4nc[nH]c4C3)C[C@@H]21)c1cccc(B(O)O)c1 1786986463 CXAJBYVPVILTDF-STHPQGGCSA-N 452.320 -0.512 50 20 JBGD CCOC(=O)O[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1 1788609722 DAPWOQYLNGXOQX-OQUILHJVSA-N 463.491 -0.160 50 20 JBGD COC(=O)[C@H]1CCC[C@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)C1 1791241701 DYFVXQXLYSMRQS-OMBLBEMTSA-N 472.347 -0.061 50 20 JBGD Cn1c(=O)c2c(CC(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)[C@H](O)CCl)C4)csc2n(C)c1=O 1799063393 XHENVACWYRFSIM-OQMKEHIESA-N 484.962 -0.970 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)C[C@@H]2NC(=O)NC2=O)[C@@H]1c1cccnc1 1804350475 ZIYWJSZOPKNTTJ-VCBZYWHSSA-N 459.507 -0.942 50 20 JBGD CN(C)NC(=O)CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C 1804433162 LOHALFIWOYRJJR-FZKCQIBNSA-N 482.582 -0.234 50 20 JBGD C[C@H](C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc(B(O)O)cc1)CC2)[C@H]1SC(=N)NC1=O 1817252867 VGBANDJGMYVJJG-ONENECBXSA-N 487.372 -0.149 50 20 JBGD O=C1NCCn2nc(C(=O)N3CCC([C@H]4CCCCN4C(=O)c4cccc(B(O)O)c4)CC3)cc21 1827054554 GWHICIDSNJXCDQ-HXUWFJFHSA-N 479.346 -0.147 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)CC[C@H](N)C(N)=O)CC1 1828926413 GHQCSGVGWQKDBL-ROUUACIJSA-N 459.551 -0.489 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCN1C(=O)OC(C)(C)C)CCO2 1832049474 DUMOYICLDFUOSC-GAJHUEQPSA-N 497.593 -0.175 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccnc1C(N)=O)CCO2 1833309533 JCPQLVRUFBSNMB-QNBNLKTOSA-N 497.512 -0.616 50 20 JBGD COc1ccc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)cn1 1835927008 BKQFLFKBGCVGAB-DEOSSOPVSA-N 483.330 -0.527 50 20 JBGD C[C@@H](Oc1ccccn1)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835939969 QZRUXGQUOIXTMB-HXOBKFHXSA-N 469.303 -0.701 50 20 JBGD C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837459152 KESCUMRHHKHZBU-VGSWGCGISA-N 461.519 -0.672 50 20 JBGD C[C@H](Oc1ccccn1)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837460393 FXNUCJBCPHNBGZ-HJPURHCSSA-N 484.513 -0.382 50 20 JBGD C[Si](C)(C)OCC(=O)N1CCO[C@@]2(COCCN(C(=O)C3CCN(S(C)(=O)=O)CC3)C2)C1 1837713172 LPUIROCSACJIBP-FQEVSTJZSA-N 491.683 -0.034 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3C[C@H](O)CN3)CCO2)C1 1839076930 WURJWOQUHNLONS-VCAMNPENSA-N 490.985 -0.702 50 20 JBGD COC[C@H](NC(C)=O)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@](C)(Cl)CCl)CCO2 1839154044 ZQAJCGABEIAEEK-QGTPRVQTSA-N 454.351 -0.170 50 20 JBGD CC(=O)Nc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)cc1O 1839472889 WUWDAXCJNALOEI-XMMPIXPASA-N 497.313 -0.586 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn4cccnc34)C2)C1 1840184237 DZUXEXFGAFTTQP-OAQYLSRUSA-N 459.507 -0.828 50 20 JBGD CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCCC12CN(C(=O)/C(C)=N/NC(=O)c1ccc[nH]1)C2 1846560547 BAYYDPHQWOIPNY-BLNASNEQSA-N 468.518 -0.206 50 20 JBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](F)Br)C2)c1cc(=O)n2[nH]nnc2n1 1777821998 SFBWKYYSZSIYCY-RSAASHCRSA-N 472.275 -0.369 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]c4c3CCCC4)C[C@@H]21)c1cccc(B(O)O)c1 1786984343 GVUQGVSVAMFCKP-QSFXBCCZSA-N 452.320 -0.125 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](N)c3ccccn3)C[C@@H]21 1788610497 CHVWTRFDNBKFEB-FDARSICLSA-N 453.503 -0.627 50 20 JBGD CSCC[C@@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21 1791306354 BGHWDDCVXFNVKT-SJWGOKEGSA-N 451.549 -0.608 50 20 JBGD CCOC(=O)c1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)ccn1 1795734987 FHDCDSDDAOPRTO-XEMDLRDOSA-N 467.287 -0.545 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1cccc(N2CCOCC2)n1 1796619609 HZHRIRHFGWLRJT-OPMZPASUSA-N 480.330 -0.885 50 20 JBGD CS(=O)(=O)c1cncc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)c1 1797749619 HHJJCONRHSQAKM-ZSBFGKGUSA-N 488.526 -0.999 50 20 JBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(-n3ccnc3)ccn1)C2 1797752798 HSOWOHOBPKJIFD-YVWYUNDQSA-N 476.497 -0.217 50 20 JBGD CN(CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C)COC1)C2)NC(=O)NCc1ccccc1 1799094843 CFTBHENNWZSBIN-OPVJXMOQSA-N 459.547 -0.041 50 20 JBGD C[C@H](NC(=O)c1ccccn1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(B(O)O)c1)C2 1801260553 LRMLYBJGRHSPRB-FZDIXFNVSA-N 450.304 -0.168 50 20 JBGD O=C(CNC(=O)C(F)(F)F)N[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815348659 VDEVVTXFDXLGOW-LLVKDONJSA-N 470.238 -0.273 50 20 JBGD NC(=O)[C@H](N)CCC(=O)NC1CCN(C2CCN(C(=O)[C@@H](F)Br)CC2)CC1 1834734965 GSRRNDYIKVLUKS-UKRRQHHQSA-N 450.353 -0.159 50 20 JBGD CC[C@H](C)[C@H](N)C(=O)N1CCO[C@]2(COCCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C2)C1 1835595349 QGLQHFWKYVTFTH-UXSPEYRASA-N 462.551 -0.050 50 20 JBGD O=C(/C=C\C(=O)NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1)NC1CC1 1835659334 MOAPRKRXZFMSMZ-SREVYHEPSA-N 468.363 -0.614 50 20 JBGD C[C@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835933722 BGKBRFHNTIMYQS-AUUYWEPGSA-N 469.141 -0.533 50 20 JBGD COc1cc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)ccn1 1835934412 ZBSWBFNOSVIXLZ-XMMPIXPASA-N 483.330 -0.527 50 20 JBGD C[C@](Cl)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837459800 NEAPEKXQLVOSIQ-RBUKOAKNSA-N 474.345 -0.009 50 20 JBGD N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@]4(COCCN(C(=O)c5ccc(B(O)O)cc5)C4)C3)c2c1 1839488004 QMMYWGVHCINGKT-DEOSSOPVSA-N 489.297 -0.502 50 20 JBGD Cc1nc(C(=O)N2CCOC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)ccc1F 1840183706 VFTTZUJATJOBED-NRFANRHFSA-N 451.499 -0.028 50 20 JBGD Cc1cc(NC(=O)CC(=O)N2CCOC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)no1 1840183861 FDJJDMRXQNBBPW-OAQYLSRUSA-N 480.522 -0.859 50 20 JBGD CC(C)N[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1)C(C)C 1840183893 HDFCQYHVJBXGOY-UNMCSNQZSA-N 455.600 -0.162 50 20 JBGD CCc1noc(C)c1C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840185333 LNYAJMMQUJKPDC-OAQYLSRUSA-N 451.524 -0.012 50 20 JBGD CC(C)(C)OC(=O)NCCOCC(=O)N1CCCC12CN(C(=O)c1ccc(B(O)O)cc1)C2 1845154034 MQLDHQBSJDFCHK-UHFFFAOYSA-N 461.324 -0.275 50 20 JBGD COC(=O)/C=C\c1cc(OC)c(OC)c(S(=O)(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c1 728509343 CJZIEOUYVUMMGC-GFVADAIESA-N 465.506 -0.863 50 20 JBGD O=C(COc1ccc(Br)cc1)NNC(=O)NCCS(=O)(=O)N1CCOCC1 748111188 IMKNQEKHSNAMGE-UHFFFAOYSA-N 465.326 -0.180 50 20 JBGD C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)CC1 813495556 DYFYTBGTEQPSIQ-ZDUSSCGKSA-N 451.553 -0.381 50 20 JBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)CNC(=O)c2c[nH]c3ccccc3c2=O)c1 915356527 NCAYFWYNYCDMFN-UHFFFAOYSA-N 471.495 -0.031 50 20 JBGD CN(CC(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Br)cc1 919886465 RTWSUYFYMICWHM-NSHDSACASA-N 483.366 -0.413 50 20 JBGD COC(=O)c1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)cn1 1779030530 RVAQTELBIUTOGR-QFIPXVFZSA-N 468.470 -0.376 50 20 JBGD Cc1onc(-c2ccncn2)c1C(=O)N1CC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1780048537 WAQIOMMHKWSEJL-QHCPKHFHSA-N 477.286 -0.123 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CSc2nc[nH]n2)C1 1782481397 MDELKSPAUWOQNA-FOIQADDNSA-N 474.547 -0.277 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cncc(S(C)(=O)=O)c3)[C@H]2C1 1785589451 QUXQKRYCOAAJOO-WBAXXEDZSA-N 481.575 -0.549 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc4c(c3)CNC4=O)C[C@@H]21)c1cccc(B(O)O)c1 1786984016 KAZUSAQRHOIAEH-NDXORKPFSA-N 463.299 -0.483 50 20 JBGD C[C@H](CN)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN(C)NC(=O)NCc3ccccc3)[C@H]2C1 1789726609 DTKSYJWYPSWONX-GTAWCEEGSA-N 460.579 -0.093 50 20 JBGD O=C(CCc1ccc(O)nn1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1790564268 MBGJEULUXYQDAE-SNRMKQJTSA-N 454.292 -0.912 50 20 JBGD CC(C)(C)OC(=O)N1CC=C(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)C1 1795732766 HJUZRIVVBIZSDX-OPVJXMOQSA-N 485.346 -0.253 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(-n3cccn3)nc1)C2)c1cccc(B(O)O)c1 1795740376 ZLSSWQCBFXBEGL-RMFSNUHRSA-N 461.287 -0.536 50 20 JBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCn1c(=O)oc3ccccc31)C2 1797748729 YNNROOBNSYUHCD-USGNIVHTSA-N 494.508 -0.114 50 20 JBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccn(C(F)F)c1=O)C2 1801011589 PQRXPNBQHRJYRW-FVCICTRLSA-N 455.462 -0.180 50 20 JBGD CC(C)CNC(=O)C(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807361066 GMBQHOSWRNRNGI-UYAOXDASSA-N 452.320 -0.147 50 20 JBGD CCNC(=O)N[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1810236296 COEIKPKJFVRZHC-BPAFIMBUSA-N 467.335 -0.211 50 20 JBGD O=C([C@H](O)CCl)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3[C@@H](O)CCN3Cc3ccccc3)C2)C1 1830736055 QQZUUFAVAHUCMH-SRYPRDQNSA-N 481.977 -0.322 50 20 JBGD CN(CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1)C(=O)C(=O)O 1831163482 QZALPPUWNISTRQ-GOSISDBHSA-N 459.308 -0.857 50 20 JBGD Cc1cc(C(=O)NC2CCN(C3CCN(C(=O)c4ccc(B(O)O)cc4)CC3)CC2)n(C)n1 1834186737 URWZQFYBMIDLQK-UHFFFAOYSA-N 453.352 -0.093 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC1CCN(C2CCN(C(=O)c3c[nH]c(=O)cn3)CC2)CC1 1835737881 LIBFIGGCICMOSJ-UHFFFAOYSA-N 468.518 -0.733 50 20 JBGD CC(=O)Nc1cccc(C(=O)N2CCOC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)n1 1835935076 FKAXMFVXJHUIAP-QHCPKHFHSA-N 482.302 -0.896 50 20 JBGD C[Si](C)(C)OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc3n(n1)CCCNC3=O)CCO2 1836781357 SQHWQMZCMRJHBB-OAQYLSRUSA-N 479.610 -0.062 50 20 JBGD C[C@H](NC(=O)c1cnccn1)C(=O)N1CCO[C@]2(COCCN(C(=O)CCBr)C2)C1 1837607465 KIVUHYICNKGYOA-LIRRHRJNSA-N 484.351 -0.164 50 20 JBGD CC(=O)N1CCN(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)Br)CCO3)CC1 1840033343 AXONRRCRUPXKOH-BEFAXECRSA-N 475.384 -0.610 50 20 JBGD Cc1nccn1CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1840387112 QDVKCZWPEIDZOU-QHCPKHFHSA-N 470.335 -0.578 50 20 JBGD COc1ccc(F)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)c1 1840685325 YAVJSTPEDXVPLS-HSZRJFAPSA-N 472.278 -0.102 50 20 JBGD O=C(CCN1C(=O)Cc2ccccc2C1=O)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843012732 KCPFKQVHQYNHEJ-UHFFFAOYSA-N 475.310 -0.201 50 20 JBGD CN(CC(=O)N1CC2(CCCN2C(=O)CN2C(=O)C=CC2=O)C1)NC(=O)NCc1ccccc1 1846460839 KZVACNOKZURZKG-UHFFFAOYSA-N 468.514 -0.539 50 20 JBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)c3cc4c(=O)n(C)c(=O)n(C)c4n3C)cc2)CC1 728214598 BMGPFTQUUPDQGG-UHFFFAOYSA-N 489.558 -0.731 50 20 JBGD C[C@@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1cc(C(=O)O)sc1Br 728509469 FKRMJNRFUYHQNF-SCSAIBSYSA-N 450.314 -0.544 50 20 JBGD O=C(NNS(=O)(=O)c1ccc2nc(O)[nH]c2c1)c1cccc(S(=O)(=O)N2CCOCC2)c1 916644226 XTABTHNAOQPQFU-UHFFFAOYSA-N 481.512 -0.087 50 20 JBGD C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)NNC(=O)N[C@H]3CCS(=O)(=O)C3)c2)C[C@@H](C)O1 919886583 VEUSPQFIKFWXKM-NFAWXSAZSA-N 474.561 -0.384 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2nccnc2C(N)=O)C1 1779937692 YUZCPRXYIBBEHM-IVZQSRNASA-N 482.501 -0.985 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](O)CCNC(=O)OC(C)(C)C)CCO2 1783934754 LTHXLSOWIFYHNY-OPAMFIHVSA-N 485.582 -0.535 50 20 JBGD CC(C)(C)OC(=O)N1CC[C@H]2C[C@@]21C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795736883 PAUKPWQKIAZORR-UFZBXBPUSA-N 499.373 -0.031 50 20 JBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2c(c1)n(C)c(=O)n2C 1796983246 XZVUPEFBUREDSR-VPTLXERWSA-N 472.546 -0.547 50 20 JBGD COC[C@H](NC(C)=O)C(=O)NC[C@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1810566798 SVXBUDNSHVIDGK-LSTHTHJFSA-N 483.529 -0.449 50 20 JBGD C[C@H](C(=O)N[C@H]1CCc2nc(NC(=O)c3cnccc3C(=O)NN)sc2C1)n1cnnn1 1819801357 JECXDLYRJHERII-ZJUUUORDSA-N 456.492 -0.385 50 20 JBGD C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1)C1(O)CCC1 1829741762 XDAXULQSORBSAJ-YCRPNKLZSA-N 461.519 -0.694 50 20 JBGD O=C(c1ccc2nc(CO)[nH]c2c1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830727861 IKHOGIVOQIPOOQ-UZLBHIALSA-N 452.895 -0.275 50 20 JBGD O=C(c1n[nH]cc1I)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830731551 LYXXZDDIDOKENV-ABAIWWIYSA-N 498.705 -0.316 50 20 JBGD Cc1nn(C)cc1C(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834797546 XNXRZGZFUUOINA-UHFFFAOYSA-N 453.352 -0.093 50 20 JBGD N#Cc1ccc(F)c(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)c1 1835932309 YPQIVKWMXPQMHC-QHCPKHFHSA-N 467.262 -0.239 50 20 JBGD CCOC(CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2)OCC 1835934517 WSZNFZVVHGDXHU-QFIPXVFZSA-N 464.324 -0.774 50 20 JBGD CN(C)c1cccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)c1 1835939015 BIPFJTFCMPLMIJ-XMMPIXPASA-N 467.331 -0.184 50 20 JBGD COC(=O)[C@@H]1CCC[C@H](C(=O)N2CCOC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)C1 1835939843 KQTLTYMVRXVBNW-PDOGEWKWSA-N 488.346 -0.584 50 20 JBGD CCOC(=O)N[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)Br)C2)C1 1837211120 HQWNHRIIDBZDHV-HSMVNMDESA-N 452.302 -0.709 50 20 JBGD CC(=O)OC[C@H](OC(C)=O)C(=O)N1CCOC[C@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1 1837715406 OFWNSPXUFSTYEF-PXNSSMCTSA-N 474.583 -0.211 50 20 JBGD O=C1C[C@@H](C(=O)N2CCC(OC3CCN(C(=O)c4ccc(B(O)O)cc4)CC3)CC2)CCN1 1837921057 WPFIFJPEIRGFQN-KRWDZBQOSA-N 457.336 -0.495 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ncccc1F)CCO2 1838249430 WICQWDOWOSCLMC-NRFANRHFSA-N 458.450 -0.397 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCc3nc[nH]c3C1)CCO2 1840363337 TZIZINXAKVFQSH-IQMFZBJNSA-N 483.529 -0.717 50 20 JBGD CCOC(=O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1840883699 FYNJWYXXLNJDHE-QFIPXVFZSA-N 462.308 -0.974 50 20 JBGD O=C(CN1C(=O)CSC1=S)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1840897135 MUFJACLDKHJRRG-WFASDCNBSA-N 484.369 -0.006 50 20 JBGD Cc1cn2c(=O)c(C(=O)N3CCCC34CN(C(=O)c3cccc(B(O)O)c3)C4)cnc2s1 1843785170 XGDYYSDTOCIQPP-UHFFFAOYSA-N 452.301 -0.125 50 20 JBGD CC(C)(C)OC(=O)N1CC2(CC(C(=O)N3CCCC34CN(C(=O)c3cccc(B(O)O)c3)C4)=NO2)C1 1846123087 FISSLCHPLQTVIR-UHFFFAOYSA-N 498.345 -0.051 50 20 JBGD C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc2)C[C@@H](C)O1 729276627 JIROSIAJKIUWLD-JHJVBQTASA-N 462.550 -0.817 50 20 JBGD CC(C)Cn1cnc2c1c(=O)n(CC(=O)NNC(=O)[C@H]1CCC(=O)NC1)c(=O)n2Cc1ccccc1 916148093 WVWJMHGVBAWPKG-KRWDZBQOSA-N 495.540 -0.262 50 20 JBGD COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1783600344 KKGFZWJMMRXQJQ-PJSUUKDQSA-N 477.942 -0.128 50 20 JBGD COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1783851371 OYPBXTFANPKMJS-YGKZAACZSA-N 471.514 -0.116 50 20 JBGD CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N2CC[C@@]3(CN(C(=O)[C@@H](O)CCl)CCO3)C2)C1 1784007316 PGZZJXKWBRAOIU-VHKYSDTDSA-N 461.943 -0.212 50 20 JBGD C[C@@H](NNc1ccccc1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786978787 VGONWTREJPELCD-QQOZLPODSA-N 466.347 -0.035 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(=O)c1cccs1 1794116820 IXFGXAGSWLPPMK-IVWMJMPLSA-N 472.527 -0.620 50 20 JBGD CS(=O)(=O)c1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(B(O)O)cc2)C3)nc1 1794747066 DDHBOLCUNXJQSH-BJWYYQGGSA-N 457.317 -0.270 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@H]1CCc2nc(NC(=O)Cn3cnnn3)sc2C1 1815680946 UJSBMBVPAKSYDL-QPDIMOPTSA-N 456.492 -0.124 50 20 JBGD COc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1830227701 UJKXVISJIHUQBJ-XMMPIXPASA-N 484.314 -0.476 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3nccn3)C2)C1 1832551898 UUNHWWVWIJICGF-YWZLYKJASA-N 486.957 -0.133 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)c3cc(Cl)ncn3)C2)C1 1835930956 AWCSGNRGMLLOCD-FQEVSTJZSA-N 460.683 -0.806 50 20 JBGD COc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)c(OC)c1 1835939071 DOEDFYQPEAQRDW-DEOSSOPVSA-N 484.314 -0.233 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)c3cnc4ccc(F)cn34)C2)C1 1835939640 WQUHYMKUUFCMPD-HSZRJFAPSA-N 482.277 -0.463 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)c3onc4ccccc34)C2)C1 1835939670 XKMGIDAHVHVLCW-HSZRJFAPSA-N 465.271 -0.109 50 20 JBGD Cc1ncsc1C(=O)N1CCOC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837456433 HWAZAHKNSKNHDY-FQEVSTJZSA-N 460.516 -0.166 50 20 JBGD C[C@H](Nc1ccccn1)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837458773 BECPXGKAFWWMFQ-QMHKHESXSA-N 483.529 -0.349 50 20 JBGD C[Si](C)(C)OCC(=O)N1CCO[C@]2(COCCN(C(=O)CNCP(=O)(O)O)C2)C1 1837711863 UMRYKWSUAXEOKO-INIZCTEOSA-N 453.505 -0.981 50 20 JBGD CN(CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCCO3)C2)C1)NC(=O)NCc1ccccc1 1839054283 QYNWCNQBRTTZCR-YKSBVNFPSA-N 489.573 -0.032 50 20 JBGD C[C@@](Cl)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCS(=O)(=O)CC3)C2)C1 1839150680 UNZPLDKKQPZSIG-MSOLQXFVSA-N 486.418 -0.591 50 20 JBGD C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](F)Br)CCO2)C1)N1CCN(C)CC1 1839202110 VBUCOLIDMPQSIN-RKVPGOIHSA-N 465.364 -0.231 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3Cc4ccccc4O3)C2)C1 1840184419 LKFWUAOBGKRKQF-AUSIDOKSSA-N 460.531 -0.181 50 20 JBGD Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)OCC(=O)NNC(=O)c1ccccc1 18392828 DHKCHBUKTMHLLI-UHFFFAOYSA-N 450.473 -0.336 50 20 JBGD O=C(CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)NNC(=O)C(=O)N1CCCC1 748246421 JXBWABRBFNGKQI-UHFFFAOYSA-N 465.532 -0.931 50 20 JBGD Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)NNC(=O)CN3CCCC3=O)CC2)cc1 789857516 IEAQPUFYIBKKCR-UHFFFAOYSA-N 479.559 -0.622 50 20 JBGD CC(=O)c1ccc(S(=O)(=O)NCC(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)cc1 913500070 LCTHIEHBTUEQKG-UHFFFAOYSA-N 496.567 -0.056 50 20 JBGD Cn1cc(Br)cc1C(=O)NNC(=O)Cn1c(=O)oc2cc(S(N)(=O)=O)ccc21 914604777 PVJVHPNSHAJPRU-UHFFFAOYSA-N 472.277 -0.196 50 20 JBGD COc1cc2c(cc1OC)[C@@H](CC(=O)NNC(=O)NCCNC(C)=O)N(S(C)(=O)=O)CC2 915894440 KANUDIDCMRFBJJ-OAHLLOKOSA-N 471.536 -0.581 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)c3cccn(C(F)F)c3=O)C2)C1 1779357196 GUTMKLHUXXUHLA-NRFANRHFSA-N 461.230 -0.320 50 20 JBGD COCCOCCOCCOCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](Cl)COC)CCO2 1783687637 WDAVQTVEAOMWPS-YLJYHZDGSA-N 466.959 -0.234 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(N4CCOCC4)cn3)[C@H]2C1 1785724164 CFOZOFNJKXRYOZ-CUWPLCDZSA-N 488.589 -0.116 50 20 JBGD COc1cccc(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)n1 1794014679 YLNVIFBTGCZWIV-FAQVEIGNSA-N 453.304 -0.394 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1ccc2c(n1)OCCO2 1796281316 KYIFJWPPNHXVEA-CCWDJLKJSA-N 453.260 -0.950 50 20 JBGD COC(=O)c1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)cn1 1796563344 NMBLGHMHRJGGGT-ZSBFGKGUSA-N 468.470 -0.616 50 20 JBGD CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)C1 1797220114 LDEKKBWIOBZRAF-FTEYMNFISA-N 487.362 -0.173 50 20 JBGD CC(=O)OC[C@@H](OC(C)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Br)C2 1797789409 FOXLCBMCPTZFGJ-ITGHMWBKSA-N 453.261 -0.239 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCc2nc[nH]c2C1 1801268300 HAGDIIGOVNDQIL-PJHJGJPPSA-N 453.503 -0.584 50 20 JBGD C[C@H](CS(C)(=O)=O)C(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1803582489 JEFRORJBPIEYIJ-MOXGXCLJSA-N 473.360 -0.238 50 20 JBGD O=C(NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807371081 PERQSRSUHKCTQB-SIKLNZKXSA-N 473.103 -0.925 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@H]1CCN(C(=O)c2nccnc2C(N)=O)[C@@H]1c1cccnc1 1810301703 AHOBLESGCULGLB-AUUYWEPGSA-N 489.496 -0.398 50 20 JBGD O=C(CNC(=O)C(F)(F)F)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1813096255 AJZBJTQZJJXZGI-QAPCUYQASA-N 478.236 -0.241 50 20 JBGD CN1CCC(CC(=O)N2CCO[C@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)CC1 1830010413 YSWGQUPEDGDKSP-QFIPXVFZSA-N 453.584 -0.452 50 20 JBGD COC(=O)c1ccc(OCC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)cc1 1830738518 QLKLMEZFPDRDGQ-UWJYYQICSA-N 470.906 -0.092 50 20 JBGD COc1cnc(C(=O)NC2CCN(C3CCN(C(=O)c4cnccc4C(=O)NN)CC3)CC2)cn1 1834316848 SDLYEROUORUQEW-UHFFFAOYSA-N 482.545 -0.017 50 20 JBGD COc1ccc(F)cc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835941773 PCHGEQHVYKULJN-HSZRJFAPSA-N 472.278 -0.102 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccccc3O)C2)C1 1837456079 BZDMCJXJTMWEDY-QFIPXVFZSA-N 455.471 -0.226 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)CC34CCCN3CCC4)C2)C1 1837460065 RMLFVXZSWKPHPZ-DEOSSOPVSA-N 486.573 -0.226 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CNC(=O)O3)C2)C1 1838527438 SKSQDQBUCUTQSF-UWJYYQICSA-N 492.441 -0.302 50 20 JBGD CCOc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)nn1 1838830819 NIJDVEUZWFVNMG-QFIPXVFZSA-N 485.501 -0.742 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(CN(C(=O)CCc3cnccn3)CCO2)C1 1840457737 QMWNCSWNRYRLMB-QFIPXVFZSA-N 469.502 -0.822 50 20 JBGD COc1ccc(F)cc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1840688395 SYBJDXVPQOBVDF-QHCPKHFHSA-N 472.278 -0.102 50 20 JBGD O=C(CS(=O)(=O)Cc1cccc(Br)c1)NNC(=O)[C@H]1CCS(=O)(=O)C1 919839276 JAYGZULNRNIBDT-NSHDSACASA-N 453.336 -0.054 50 20 JBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2)c1cnn2ncccc12 1777947766 ZCZLNKFNBQNMCH-NFBKMPQASA-N 463.303 -0.150 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(=N)N)[C@H]2C1 1786805056 IWTJQTMUJJRRAR-XUXIUFHCSA-N 460.963 -0.419 50 20 JBGD CN(C)c1ncc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cnccc4C(=O)NN)[C@H]3C2)o1 1788611698 RTEPQCNURCFINZ-RCBQFDQVSA-N 457.491 -0.354 50 20 JBGD COC(=O)c1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)cc1 1791415368 PDBOOCMSFWKNSI-BVSLBCMMSA-N 480.326 -0.011 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@H]1CNc3ccccc3O1)C2)c1cccc(B(O)O)c1 1795738796 GHXGRFUVQOZVMQ-ZQYRFBGISA-N 465.315 -0.167 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2)c1cccc(B(O)O)c1 1795739082 UODREVQDPFCDSQ-FAQVEIGNSA-N 476.298 -0.638 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)CN2C(=O)CNC2=O)[C@@H]1c1cccnc1 1804096655 XKGJXRLLSQFIGQ-YWZLYKJASA-N 459.507 -0.988 50 20 JBGD O=C(O)c1cc(C(=O)NC[C@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)ncn1 1804966722 NMCGBAHNOMWAMF-UZLBHIALSA-N 475.270 -0.117 50 20 JBGD C[C@H](C(=O)N[C@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1)N1CCN(C)CC1 1815343596 CMZGEKXIIPNTBM-PBHICJAKSA-N 471.392 -0.315 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)CNCP(=O)(O)O)CC1 1831870685 CATQYZRIEIOKRR-INIZCTEOSA-N 461.500 -0.296 50 20 JBGD CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CCC(N2CCC(NC(=O)[C@H](O)CCl)CC2)CC1 1833312689 XGLICWINHQFDFY-QZTJIDSGSA-N 461.943 -0.348 50 20 JBGD C=CC(=O)N[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3cnccc3C(=O)NN)CC2)CC1 1835737869 JYXFCKQVTQSVOY-HNNXBMFYSA-N 471.562 -0.439 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)c3[nH]nc4ccncc34)C2)C1 1835928671 UTCHKVXJSPQHNN-QFIPXVFZSA-N 465.275 -0.979 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)c3[nH]nc4ccncc34)C2)C1 1835935550 KUCUWFJWBIROMS-QFIPXVFZSA-N 465.275 -0.979 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc3cccnc3n1)CCO2 1836831260 ONKUKKNLVCPXLP-DEOSSOPVSA-N 476.298 -0.307 50 20 JBGD CNC(=S)NCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)Br)C2)C1 1837467898 UVADKBPGSIQGHR-WBMJQRKESA-N 451.387 -0.290 50 20 JBGD O=C(/C=C/c1cccc(O)c1)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1839924955 PQCJZZINJULUSM-UROCCOEBSA-N 466.299 -0.145 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cn4ncccc4n3)C2)C1 1840184480 PIQJHFSLTAAFTC-OAQYLSRUSA-N 459.507 -0.828 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc4c(c3)CCO4)C2)C1 1840185421 PVDHREHYXSYDMK-DEOSSOPVSA-N 474.558 -0.007 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CCCC12CN(C(=O)[C@H](O)N1CCOCC1)C2 1841924762 YBAJWOQAYSTLLE-HOCLYGCPSA-N 460.959 -0.028 50 20 JBGD CCOC(=O)c1ncn2c1CC[C@@H](C(=O)N1CCCC13CN(C(=O)c1cccc(B(O)O)c1)C3)C2 1845862479 UMYGBPZBLOLULN-QGZVFWFLSA-N 480.330 -0.181 50 20 JBGD COc1cc(C(=O)NNC(=O)NCCC(=O)N2CCN(C(C)=O)CC2)cc(OC)c1OC 1318325625 CELIBYUWBPQKTJ-UHFFFAOYSA-N 451.480 -0.263 50 20 JBGD CN(CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](F)Br)C1)C(=O)C(=O)O 1780776432 FROFMEBWFOZZIE-NSODJVPESA-N 452.277 -0.266 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](N)Cc1cccnc1)C2 1782212128 WJIDYMOVJGFVGD-YCRNBWNJSA-N 460.579 -0.162 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)[C@@H]3Cc4[nH]nc(C(F)(F)F)c4C3)C2)C1 1782845497 IRDVORWUTHTOCH-QKKBWIMNSA-N 492.263 -0.033 50 20 JBGD COC(=O)[C@@H]1CCC[C@H](C(=O)N2CC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)C1 1783858095 DWNWDYCVPBFUBF-YZZKKUAISA-N 458.320 -0.211 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](CCO)NC(=O)OC(C)(C)C)CCO2 1783933405 XYLQDEMOHOTHEE-AOMKIAJQSA-N 485.582 -0.535 50 20 JBGD C[C@H](Oc1cccnc1)C(=O)N1CC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1784547663 NFJKRTRAVNSSSS-OYHNWAKOSA-N 454.487 -0.009 50 20 JBGD CC(C)(C)OC(=O)N1CCN(CC(=O)N2CC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)C(=O)C1 1785667132 NRTDAHXMIPLWRS-YCRPNKLZSA-N 488.969 -0.505 50 20 JBGD Cn1c(=O)n(C)c2cc(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)c5cccc(B(O)O)c5)C[C@@H]43)ccc21 1787959557 KRHRCVYDTJOOGD-JLMWRMLUSA-N 492.341 -0.536 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNCP(=O)(O)O)C2 1793881098 OVDJRCHBVOVYGM-XFMPKHEZSA-N 498.901 -0.567 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc(O)n3c1CCCC3)C2)c1cccc(B(O)O)c1 1795740221 GHPHXDHAPWIDGL-JLVBRIDZSA-N 454.292 -0.878 50 20 JBGD O=C1Nc2c(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)c3cccc(B(O)O)c3)C4)cccc2C1=O 1797538967 QGLIQFBXZJXLJZ-ZSBFGKGUSA-N 463.255 -0.982 50 20 JBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc(O)c2ccn(C)c12 1798432599 ZYZFOJZPJWUFNY-HBCWATKFSA-N 458.519 -0.145 50 20 JBGD CN(CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc[n+]([O-])c1)C2)NC(=O)NCc1ccccc1 1799095440 WHPKIDSEBFJOQD-VTYHHJSWSA-N 482.541 -0.131 50 20 JBGD CN(CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccnnc1O)C2)NC(=O)NCc1ccccc1 1799097213 IXHAJKVZEKTMDB-XEMDLRDOSA-N 483.529 -0.268 50 20 JBGD Cc1ccc(C(=O)NCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)cc1 1802121239 XWHDNKNYVUIUOU-UPHUGPLXSA-N 480.525 -0.373 50 20 JBGD CC(=O)N1CCN(CC(=O)N2CC[C@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)CC1 1807373932 DKFWKAGTWUQBKC-ZJSXRUAMSA-N 493.373 -0.755 50 20 JBGD CN1CCN(CC(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2cccc(B(O)O)c2)CC3)CC1 1818798751 WWHQQSHULYUXKD-MRXNPFEDSA-N 457.365 -0.704 50 20 JBGD C[C@@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cnccc2C(=O)NN)[nH]n1)n1cnnn1 1822859904 ZXBCBHXWRNGRGX-XHDPSFHLSA-N 453.467 -0.038 50 20 JBGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)CCN1C(=O)C=CC1=O)CC2 1826084029 XZCFJJTZMOJQTD-GFCCVEGCSA-N 462.532 -0.257 50 20 JBGD CC(C)c1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)no1 1834495892 YGVGEYLALIIYKH-JOCHJYFZSA-N 457.292 -0.138 50 20 JBGD C[C@](Cl)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(=O)n4[nH]cnc4n3)CCO2)C1 1835924180 OTRKHKOQCUDRFM-ZWKOTPCHSA-N 473.317 -0.276 50 20 JBGD Cc1nccn1CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835934577 ZQFNBMDDDGZMIL-QHCPKHFHSA-N 470.335 -0.578 50 20 JBGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)NC(=O)OC(C)(C)C)CCO2 1839388370 PAULYZFQMITZGK-KSMMKXTCSA-N 465.931 -0.460 50 20 JBGD Cc1cn(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](F)Br)C3)C2)c(=O)nc1O 1840807945 AJZYMOHHNOXBDE-CXAGYDPISA-N 477.287 -0.596 50 20 JBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 729274752 CBFIASQMNMNUOJ-JTQLQIEISA-N 468.504 -0.549 50 20 JBGD O=C(NNC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1)c1cnn[nH]1 729456497 OWNQBPUTVZPLHA-UHFFFAOYSA-N 463.520 -0.109 50 20 JBGD CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 919889604 PQHYEFLSYOYERR-WBVHZDCISA-N 486.572 -0.050 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1C(=O)C=CC1=O)C2 1778094566 JONNCOVSHFIMQW-WBJRCKAQSA-N 484.513 -0.441 50 20 JBGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)C2)C1 1778116073 GHCIHQHSODDZFC-QAPCUYQASA-N 451.973 -0.258 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)[C@H]3CN(Cc4ccccc4)CCO3)C2)C1 1778274733 GJBPXOQGFYYPFF-ZEQKJWHPSA-N 493.369 -0.289 50 20 JBGD CN(CC(=O)N1CC[C@]2(CN(C(=O)COCCO)CCO2)C1)NC(=O)NCc1ccccc1 1780968797 QBNGOYTXKHUHSC-JOCHJYFZSA-N 463.535 -0.829 50 20 JBGD Cc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)ncc1[N+](=O)[O-] 1786979949 SMISZHLHQKBKOF-KNBMTAEXSA-N 468.275 -0.115 50 20 JBGD COC(=O)c1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)cc1 1786986561 LGWHADFIFWDSAK-BVSLBCMMSA-N 480.326 -0.011 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CC[C@@H]4CCC(=O)N4C3)C[C@@H]21 1788610002 KXDQDCVRXYDWNF-VKSPVCMPSA-N 484.557 -0.321 50 20 JBGD Cn1nc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cnccc4C(=O)NN)[C@H]3C2)c2c1CCC2 1788611176 NYMQANVKGRVFPW-IXDGSTSKSA-N 467.530 -0.186 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCc4nc[nH]c4C3)C[C@@H]21 1788611229 PIYYXQMECANPJP-BAGFXWCHSA-N 467.530 -0.193 50 20 JBGD CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc(B(O)O)c2)C1 1796191676 NHKFTXLSGSKWFG-LJDSDSDDSA-N 487.362 -0.154 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2)[C@@H]1[C@@H](O)CCN1Cc1ccccc1 1800297894 BQCMDOKJSBQIPI-XSEPRYCASA-N 451.951 -0.189 50 20 JBGD COC(=O)[C@H]1CCC[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(=O)NN(C)C)C3)C1 1800966874 KAFXGZYBYVJFPN-QOSLBHJFSA-N 452.552 -0.072 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1CCN(C(=O)Cn2ccncc2=O)[C@@H]1c1cccnc1 1810305949 RGBFFPLGYDIWNK-HRAATJIYSA-N 476.497 -0.343 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2nccnc2C(N)=O)n[nH]1 1820024085 WLSJJTPYDQRTPH-CQSZACIVSA-N 478.473 -0.083 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827055177 RGHUSNFCIHBLCV-HXUWFJFHSA-N 458.368 -0.027 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)C(C)(C)C)CCO2 1830622616 HUBSSTHXXQONFW-ZHEFCJAMSA-N 463.535 -0.016 50 20 JBGD COCCOCCOCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830738632 RASIUGGECMSOSL-APWZRJJASA-N 452.932 -0.888 50 20 JBGD C[C@@](O)(C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1)C(F)(F)F 1832161045 UBZVNPXUEBSCKL-QZTJIDSGSA-N 475.424 -0.932 50 20 JBGD O=C1CC[C@@H](C(=O)NC2CCN(C3CCN(C(=O)c4ccc(B(O)O)cc4)CC3)CC2)CN1 1833120375 WIOXLSFKAOLLLI-QGZVFWFLSA-N 456.352 -0.922 50 20 JBGD CN(CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cncnc1)CCO2)NC(=O)NCc1ccccc1 1834306604 FOZVRPXAWUYXRL-XMMPIXPASA-N 497.556 -0.107 50 20 JBGD C[C@](Cl)(CCl)C(=O)N1CCOC[C@]2(CN(C(=O)CNCP(=O)(O)O)CCO2)C1 1835540965 JXRZVRYXNFGFTL-GJZGRUSLSA-N 462.267 -0.596 50 20 JBGD NC[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1)c1ccccc1 1835817335 VFQXDVCHIAYCLL-CYFREDJKSA-N 482.541 -0.502 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCc4ccccc4O3)C2)C1 1835932103 NTYMWEIHORLUDT-WIOPSUGQSA-N 480.326 -0.170 50 20 JBGD COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)cc1F 1835934168 OAISYWSKDMOWTD-DEOSSOPVSA-N 486.305 -0.173 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)c3ccnc(Cl)n3)C2)C1 1835938165 NXHAQQLOFIKVMI-FQEVSTJZSA-N 460.683 -0.806 50 20 JBGD CN(CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc[nH]3)C2)C1)NC(=O)NCc1ccccc1 1839054360 VSSOHLJZSGRSDT-HSZRJFAPSA-N 485.545 -0.174 50 20 JBGD COc1ccccc1CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1839953877 MEMILYCZIIOBAD-DEOSSOPVSA-N 468.315 -0.312 50 20 JBGD Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)c(O)c1 1840667761 BQYXVXMCSHSDNR-HSZRJFAPSA-N 454.288 -0.236 50 20 JBGD Cc1cn(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@](C)(Cl)CCl)C3)C2)c(=O)nc1O 1840808379 VBQDQJRROUSYEL-RTBURBONSA-N 477.345 -0.050 50 20 JBGD CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NNC(=O)c1ccccc1O 17576710 FGUXJZCJJYULGX-OAHLLOKOSA-N 455.514 -0.065 50 20 JBGD C[C@H](O)CNS(=O)(=O)c1ccc(C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1 728328210 QXDANBIBBMEHCG-SCLBCKFNSA-N 493.494 -0.510 50 20 JBGD COc1cc2c(cc1OC)[C@H](CC(=O)NN=Cc1cn(C)c(=O)n(C)c1=O)N(S(C)(=O)=O)CC2 839400106 KEUROYPSWNQUTL-INIZCTEOSA-N 493.542 -0.500 50 20 JBGD COCCN1C[C@@H](C(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1=O 914458251 MFVIFFAJZCHAPM-KRWDZBQOSA-N 482.559 -0.718 50 20 JBGD O=C(CCN1CCOC1=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2 1778779235 MGMPEVHMZRGBDD-XMSQKQJNSA-N 459.308 -0.664 50 20 JBGD CS(=O)(=O)c1ccc(F)c(C(=O)N2CC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)c1 1782151555 CRXWWZMBYFJREW-JOCHJYFZSA-N 490.318 -0.334 50 20 JBGD CS(=O)(=O)c1ccc(C(=O)N2CC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)cc1F 1785226175 XLTWOPUIJXLYIU-QFIPXVFZSA-N 490.318 -0.334 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(=O)c3cccs3)[C@H]2C1 1785336615 WVRGXXFJGGVRFX-JYJNAYRXSA-N 465.576 -0.169 50 20 JBGD O=C(Nc1ccc(C2(NC(=O)c3cc(=O)n4[nH]nnc4n3)CCC2)cc1)c1ccc(B(O)O)cc1 1788140769 UXSDPLNMMVRASH-UHFFFAOYSA-N 473.258 -0.446 50 20 JBGD Cn1ccc2c(O)ncc(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)c5cccc(B(O)O)c5)C[C@@H]43)c21 1789150824 OVVCDRWZYWELAE-YSSFQJQWSA-N 478.314 -0.134 50 20 JBGD CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](O)CCl)C[C@@H]32)C1 1791329720 CIILCRKKYPAYAB-DQKQSUEQSA-N 475.970 -0.062 50 20 JBGD CN(C)NC(=O)CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](O)CNC(=O)OC(C)(C)C 1793011932 KINCLGUSNGFRQB-QKPAOTATSA-N 455.556 -0.117 50 20 JBGD Cc1cc(C)n2ncc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)c3ccc(B(O)O)cc3)c2n1 1795734633 WNHQLABVAVOYJH-XEMDLRDOSA-N 463.303 -0.457 50 20 JBGD O=C1CCc2ccc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)c3ccc(B(O)O)cc3)C4)nc2N1 1796103857 KZOUJKAKDSLBNC-CWPLJXCYSA-N 464.287 -0.837 50 20 JBGD C[C@H](CS(C)(=O)=O)C(=O)N1CCCC2(CCN(C(=O)c3cccc(B(O)O)c3)CC2)C1 1806043469 HZMCBNIXUIKBML-MRXNPFEDSA-N 450.366 -0.108 50 20 JBGD C[C@H](C(=O)N[C@@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1)N1CCN(C)CC1 1815360172 PWVALNKVGBEPMO-RHSMWYFYSA-N 471.392 -0.315 50 20 JBGD NC(=O)c1nccnc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1820023792 FFLGVXOCYDLQMR-HNNXBMFYSA-N 463.263 -0.402 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(Cl)cnc1O)CCO2 1829564148 SKFPKONFPKDEQD-FQEVSTJZSA-N 469.926 -0.116 50 20 JBGD CCS(=O)(=O)CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)CBr)CCO2 1830535586 QOCZCVYYXSNHGE-CJNGLKHVSA-N 455.371 -0.092 50 20 JBGD O=C(C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1)c1ccc(Cl)cc1 1830685092 IFWLEGZHXMEGMQ-QHCPKHFHSA-N 486.717 -0.027 50 20 JBGD CC(C)(C)OC(=O)NCCOCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830733401 LEXVKKFOJJLWLP-YWZLYKJASA-N 479.958 -0.416 50 20 JBGD Cc1nn2cc(CC(=O)N3CCO[C@]4(COCCN(C(=O)[C@H](O)CCl)C4)C3)nc2s1 1832101004 JGGAMYJYUIFITO-RDTXWAMCSA-N 457.940 -0.302 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCC(N2CCC(NC(=O)c3cccnc3C(N)=O)CC2)CC1 1833918786 IUJKEBYQIAPEDS-UHFFFAOYSA-N 494.556 -0.322 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(O)cn3)CCO2)C1 1834587308 HKUIICGQODVNPR-NRFANRHFSA-N 456.459 -0.831 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)c3cnn4ccncc34)CC2)CC1)c1ccc(B(O)O)cc1 1834798606 PWTZMYWEPWRDRJ-UHFFFAOYSA-N 476.346 -0.092 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835674767 MFUPQBCUJNFXKB-PKNRUHJYSA-N 487.561 -0.141 50 20 JBGD C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1)n1cccc1C=O 1835935534 JQRIOUABOKHXFN-HXOBKFHXSA-N 469.303 -0.688 50 20 JBGD Cc1ccc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)nc1 1835935605 VOIWOBXUYHJVIQ-DEOSSOPVSA-N 467.331 -0.227 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)c3ccccc3)C2)C1 1835935697 MNSJDUQMYFPYBR-OFNKIYASSA-N 454.288 -0.830 50 20 JBGD Cc1ccc(C(=O)C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)cc1 1835939593 BMJBKOIWQNQURG-XMMPIXPASA-N 466.299 -0.372 50 20 JBGD CC(C)[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837456857 QYPNXLKZWKRQBG-UZLBHIALSA-N 451.549 -0.291 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cnccn3)C2)C1 1837460344 BXVFRYPGUGDFRU-JOCHJYFZSA-N 469.502 -0.822 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCC(OC2CCN(C(=O)[C@H]3CCCS3(=O)=O)CC2)CC1 1838394683 MSLMGTREUXTNNW-LJQANCHMSA-N 493.586 -0.126 50 20 JBGD CN(CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cn(C)cn3)C2)C1)NC(=O)NCc1ccccc1 1839054233 MVYQTQKYDKCBOY-XMMPIXPASA-N 499.572 -0.164 50 20 JBGD COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)c(C#N)c1 1839132110 SAIJHWUEMNGQFQ-VWLOTQADSA-N 493.325 -0.441 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)C(Cl)(Cl)Cl)CCO2 1839921825 PLZXRIPBFSPLKE-MRXNPFEDSA-N 465.526 -0.193 50 20 JBGD CC[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3ccncc3=O)C2)C1 1839966745 OKWBGTHQXQWICB-KBXCAEBGSA-N 457.325 -0.127 50 20 JBGD O=C([C@H]1C[C@@]12C(=O)Nc1ccccc12)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1840016393 CAIYMEKYVLXVJY-HIAJTZQDSA-N 463.918 -0.048 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3sc4nccnc4c3N)C2)C1 1840184089 RCCFTPQWGYQFHD-NRFANRHFSA-N 491.574 -0.284 50 20 JBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)CCn2nnc3ccccc3c2=O)cc1 21779065 XOGYTXLSVZWZJU-UHFFFAOYSA-N 458.500 -0.042 50 20 JBGD CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccccc1)C(=O)NNC(=O)COc1ccccc1O 730780283 STVKXHOWXKNTHH-HNNXBMFYSA-N 485.540 -0.300 50 20 JBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)cc1 920238460 DBPDSZBFIMGZGJ-CQSZACIVSA-N 461.566 -0.630 50 20 JBGD C=CC(=O)N[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnccc2C(=O)NN)C1 1779372421 IAOIVTQJWPQWNZ-UZSYQUHHSA-N 458.519 -0.497 50 20 JBGD O=C1Nc2c(cccc2C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)C1=O 1786979673 JYVIXTSVDXZXAG-JVPBZIDWSA-N 477.282 -0.592 50 20 JBGD CN1CCCn2nc(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)c3cccc(B(O)O)c3)cc2C1 1796193186 SATZEYNVMVZIES-REPLKXPHSA-N 451.336 -0.036 50 20 JBGD O=C(CS(=O)(=O)N1CCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Br)C2 1796441585 WIQYKVMPZRVADB-XCCSTKFXSA-N 456.334 -0.308 50 20 JBGD CC(=O)N(C)CCC(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1804068362 YHSWHDXSVIFPNJ-DENIHFKCSA-N 452.320 -0.051 50 20 JBGD CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H]1CCc2nc(NC(=O)CCC(=O)NN(C)C)sc2C1 1826092289 XSBNPFMCGQUFML-XJKSGUPXSA-N 490.590 -0.101 50 20 JBGD COC[C@H](NC(C)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)CBr)CCO2)C1 1830539290 GCPUDIJSBRSNEE-QIIPPGSGSA-N 464.357 -0.375 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnc(C)[nH]1)CCO2 1831853495 UUOYCQHKRJQLMB-NFCNUSAFSA-N 457.491 -0.078 50 20 JBGD CC[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCS(=O)(=O)CC3)CCO2)C1 1832488361 ZJYFSSABZFGPIP-YJBOKZPZSA-N 496.424 -0.653 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3C[C@H](O)CN3)C2)C1 1832551157 FFKKZZKMPAOATN-VCAMNPENSA-N 490.985 -0.702 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)c3cnc(OCF)cn3)CC2)CC1)c1ccc(B(O)O)cc1 1834797412 JFHAXPGHTMXHJD-UHFFFAOYSA-N 485.325 -0.039 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC1CCN(C2CCN(C(=O)[C@H](C)n3cnnn3)CC2)CC1 1835118273 XDJXTVDOUMFHKX-WBILBPDKSA-N 484.565 -0.060 50 20 JBGD C[Si](C)(C)OCC(=O)NC1CCN(C2CCN(C(=O)CN3CC(=O)NC3=O)CC2)CC1 1835835041 MRJGRBBXBJGWCK-UHFFFAOYSA-N 453.616 -0.039 50 20 JBGD CC(C)N[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1)C(C)C 1835893732 CQCSXAUOXCNINL-NFBKMPQASA-N 461.368 -0.541 50 20 JBGD CCOC(=O)c1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)cc1 1835932276 XSAWTRXGWQYKNP-RUZDIDTESA-N 496.325 -0.073 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)c3nnsc3C3CC3)C2)C1 1835936934 KOFGQUTUKNLYFA-NRFANRHFSA-N 472.332 -0.521 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)CNCP(=O)(O)O)CC2)CC1)[C@@H](F)Br 1836412751 SKKRIFDGSXLGSO-CQSZACIVSA-N 473.280 -0.027 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3[C@H]4C=CS[C@@H]43)C2)C1 1837460116 VTRKHUVTFZMGJQ-RACNMONISA-N 459.528 -0.370 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C(N)=O)cc3)C2)C1 1837460768 KDHJUHUJERVYPE-QHCPKHFHSA-N 482.497 -0.832 50 20 JBGD O=C(c1cc(=O)nc2cccnn12)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839200102 DYYJKUKYQGDIDC-MAUKXSAKSA-N 484.282 -0.150 50 20 JBGD CC[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)CN(C)C(=O)C(=O)O)CCO2)C1 1839704401 NRTBQUPAMKTDTA-YVEFUNNKSA-N 464.313 -0.841 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CNC(=O)OC(C)(C)C)CCO2 1839989226 UYXILXPFHQCYAZ-OAQYLSRUSA-N 471.555 -0.660 50 20 JBGD CCCNC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCC(=O)NN(C)C)CCO2 1840182740 RTRDADWCXCZZDG-NRFANRHFSA-N 455.556 -0.878 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c(n3)NC(=O)CC4)C2)C1 1840183887 GYTFGQJGMIMPJF-QHCPKHFHSA-N 488.545 -0.591 50 20 JBGD NS(=O)(=O)c1cc(C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)ccc1F 728328961 ZYQDIIOUBUIPFE-CQSZACIVSA-N 453.404 -0.383 50 20 JBGD COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1 750195358 PPVOEXIHOJILQV-SCLBCKFNSA-N 493.494 -0.107 50 20 JBGD COc1ccc(C(=O)NNC(=O)CNC(=O)c2cccs2)cc1S(=O)(=O)N1CCOCC1 751211368 QXTZLBCYODXEEU-UHFFFAOYSA-N 482.540 -0.031 50 20 JBGD Cc1ccc(C(=O)NNC(=O)COC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)cc1 753655569 RRWWEFBPGIYUFO-CQSZACIVSA-N 450.473 -0.535 50 20 JBGD C[C@@H]1CN(CCC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)C[C@@H](C)O1 912921700 SMHSECKTETUBHC-HZPDHXFCSA-N 454.549 -0.032 50 20 JBGD CCn1cnc2c1c(=O)n(CC(=O)NNC(=O)c1ccnc(C)n1)c(=O)n2Cc1ccccc1 918254872 GEDZHGQXCGMJNY-UHFFFAOYSA-N 462.470 -0.012 50 20 JBGD O=C(CN1C(=O)c2ccc(Br)cc2C1=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 919889484 MYEDNBYTEIDXCS-VIFPVBQESA-N 459.278 -0.437 50 20 JBGD C[C@H](Br)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(=O)n3[nH]nnc3n1)C2 1781997630 AJRBRLYRHFOVCW-GSDQYQHOSA-N 468.312 -0.277 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](O)CNC(=O)OC(C)(C)C)CCO2 1783933373 WEWMYAHLNCRZOG-YCRPNKLZSA-N 471.555 -0.925 50 20 JBGD CN1CCCn2nc(C(=O)N3CCO[C@]4(CCN(C(=O)CCC(=O)NN(C)C)C4)C3)cc2C1 1783937052 NXJWDFGEJKFMQB-QFIPXVFZSA-N 461.567 -0.465 50 20 JBGD C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN(C)NC(=O)NCc1ccccc1)C2 1792489839 YYBRPFWYTOXVRB-RQWRPHEBSA-N 498.584 -0.219 50 20 JBGD Cc1c(Br)c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)nn1C 1795735292 WORLDMDXEBKQCQ-XOIINTDNSA-N 491.151 -0.312 50 20 JBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1COc3ccccc3O1)C2 1797748634 NVNBRXYJGDWLEU-RYMBOPBQSA-N 467.482 -0.272 50 20 JBGD C[Si](C)(C)OCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CSCN1C(=O)[C@@H]1CCC(=O)N1)C2 1797957507 TZYLOLWEJOKKBU-WPECMILSSA-N 498.678 -0.392 50 20 JBGD C[C@H](C(=O)N[C@@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1)[C@H]1SC(=N)NC1=O 1815354555 IJBDAXQRSWVMQZ-TURKWSHLSA-N 487.372 -0.149 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCC(N2CCC(NC(=O)CCN3C(=O)C=CC3=O)CC2)CC1 1833616194 ZQOAVGSYZYXTIJ-UHFFFAOYSA-N 476.578 -0.754 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)c3cc(-c4ccco4)no3)C2)C1 1835935472 GSRJDDJBDFCEES-QHCPKHFHSA-N 481.270 -0.002 50 20 JBGD C[C@H]1CCc2c(C(=O)N3CCOC[C@]4(CN(C(=O)c5cccc(B(O)O)c5)CCO4)C3)n[nH]c21 1835936911 JIXDTUUUCVYUDV-WNSKOXEYSA-N 468.319 -0.477 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCc1cnn(C)c1)CCO2 1835991546 ZUNNQYSFNCLGAU-OAQYLSRUSA-N 450.540 -0.818 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1n[nH]c3c(F)cccc13)CCO2 1837057958 UUSRTYBXPVXLDY-HSZRJFAPSA-N 482.277 -0.234 50 20 JBGD CC(=O)Nc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)o1 1837458871 FWNOPZZCSLXXIL-QFIPXVFZSA-N 486.485 -0.380 50 20 JBGD CCCC(=O)N[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837459469 QXAZJLVKOMSZJP-OYHNWAKOSA-N 476.534 -0.940 50 20 JBGD CN(C)c1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)cn1 1838193282 XHDNNUNHZGMLDR-QHCPKHFHSA-N 468.319 -0.789 50 20 JBGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)C3CCN(S(C)(=O)=O)CC3)C2)C1 1840152315 FIYPCRZDAKLCRM-APWZRJJASA-N 481.999 -0.632 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)CSc3ncccn3)C2)C1 1840184060 PKNVXJXIVNNCOD-FQEVSTJZSA-N 466.564 -0.602 50 20 JBGD O=C(CCN1C(=O)c2ccccc2C1=O)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843010745 XWQNPVWRFRYVAD-UHFFFAOYSA-N 461.283 -0.130 50 20 JBGD Cn1ncc(I)c1C(=O)N1CCCC12CN(C(=O)c1cccc(B(O)O)c1)C2 1843603030 JYYZJKLHXZIXPQ-UHFFFAOYSA-N 494.098 -0.165 50 20 JBGD COCCn1cnc2c1c(=O)n(CC(=O)NNC(=O)c1cc(C)nn1C)c(=O)n2Cc1ccccc1 917522509 HMPBOYJNQIHZHL-UHFFFAOYSA-N 494.512 -0.442 50 20 JBGD CS(=O)(=O)N1CCC(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)[C@H](O)CCl)C3)CC1 1778753117 USXBNRBJXGGNIY-GPMSIDNRSA-N 466.000 -0.228 50 20 JBGD CC(C)(C)OC(=O)N[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)CCl)C(C)(C)O 1792983616 ROKDAUUSALJQLR-AIEDFZFUSA-N 463.959 -0.160 50 20 JBGD COc1ccccc1OCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795732654 HHYOEFFGDYRADU-FAQVEIGNSA-N 454.288 -0.343 50 20 JBGD Cn1c(=O)c2c(CC(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)[C@@H](F)Cl)csc2n(C)c1=O 1796367891 ZFLHNWULXVYENH-BAESOJJISA-N 472.926 -0.035 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc[nH]c1[N+](=O)[O-] 1796401666 RETOWFIHBHVCPL-YUPLIZSESA-N 458.435 -0.345 50 20 JBGD COc1nccnc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C(C)=N/NC(=O)c1ccc[nH]1 1796441286 UPLYMHBKEOUVRW-AHXAHQIOSA-N 455.475 -0.178 50 20 JBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1Cc3ccccc3O1)C2 1797750598 LNRDFPMRRDEHKT-HRYATBACSA-N 451.483 -0.108 50 20 JBGD NC(=O)c1ncccc1C(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807360694 CSVONHZPENOJJA-LAUBAEHRSA-N 473.298 -0.111 50 20 JBGD Cc1cc(C(=O)NCC(=O)NC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)no1 1810375112 FYWYFIKTNUXVDP-PGRDOPGGSA-N 491.313 -0.193 50 20 JBGD NNC(=O)c1ccncc1C(=O)N[C@H]1CCc2nc(NC(=O)[C@@H](O)N3CCOCC3)sc2C1 1819886144 GEEHCSXTJFOCJW-JEOXALJRSA-N 475.531 -0.982 50 20 JBGD Cc1cn(CC(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc(B(O)O)c3)[nH]n2)c(=O)nc1O 1823366752 CYZSGPUATXBFNS-KRWDZBQOSA-N 480.290 -0.334 50 20 JBGD C[C@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3C(=O)C=CC3=O)C2)C1 1830543893 GZEYLNKTSWCHRM-FZKQIMNGSA-N 458.309 -0.601 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)C1(c3ccc(O)cc3)CC1)CCO2 1830808765 QJKVOJQKSPPJNY-DEOSSOPVSA-N 480.326 -0.126 50 20 JBGD O=C(CCN1C(=O)Cc2ccccc2C1=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1830836317 QZHFRWNPTXSATA-FDDCHVKYSA-N 493.944 -0.342 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3ccccn3)CCO2)C1 1833186957 BUAPDTVLCIRXCH-HSZRJFAPSA-N 468.514 -0.217 50 20 JBGD CCc1nn(C)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)c1Cl 1833593364 HOAGDAAEXBOODO-JOCHJYFZSA-N 490.753 -0.301 50 20 JBGD Cn1cnc(C(=O)N2CCC(N3CCC(NC(=O)c4cnccc4C(=O)NN)CC3)CC2)n1 1835736955 BVTLDRYLYRUSIH-UHFFFAOYSA-N 455.523 -0.687 50 20 JBGD CNC(=S)NCCC(=O)NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1835738876 KJWLEMIDFFFOQT-UHFFFAOYSA-N 475.424 -0.964 50 20 JBGD CCOC(=O)N[C@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](F)Br)CCO2)C1 1839200175 HDLHVUJWFVGHDS-RWSFTLGLSA-N 456.265 -0.802 50 20 JBGD C[C@@H](Nc1cnccn1)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840185635 RBMNAFWWNODFMZ-IIBYNOLFSA-N 463.539 -0.894 50 20 JBGD C[C@@H](O)[C@H](NC(=O)c1ccccc1)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cccc(B(O)O)c1 1847437525 WQIKDJHNCFHSFH-DVMWJLJYSA-N 465.315 -0.639 50 20 JBGD CS(=O)(=O)c1cncc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)c1 1779029372 WOESLDPCXBXVIA-OAQYLSRUSA-N 488.526 -0.759 50 20 JBGD CC(=O)Nc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)cc1O 1790304027 LPVQUXHRVFTDID-JLMWRMLUSA-N 481.314 -0.063 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](N)Cc3cscn3)C[C@@H]21 1791291361 SCNGRVIZWSMVBG-HJWJTTGWSA-N 452.581 -0.634 50 20 JBGD CC(C)(C)OC(=O)N1CC[C@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1793629787 DHWBOZSGYBEFNL-NBMJBFSESA-N 473.335 -0.421 50 20 JBGD C[C@](Cl)(CCl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCS(=O)(=O)CC1 1793838242 QUEPTRMCSMUQHG-YXPYIKCWSA-N 456.392 -0.457 50 20 JBGD Cn1ccc2c(O)ncc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)c3cnccc3C(=O)NN)C4)c21 1798431235 DQAOFYUNEZBWIZ-IVWMJMPLSA-N 479.497 -0.206 50 20 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DUXZTJPTUNCUTO-HSZRJFAPSA-N 488.545 -0.005 50 20 JBGD COc1cc(C(=O)N2CC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)c([N+](=O)[O-])cc1O 1780195858 WELRAXKMQIACFN-QFIPXVFZSA-N 485.258 -0.254 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1COCCN1C(=O)OC(C)(C)C)CCO2 1783934155 AHXQAPGSWSDFKQ-GAJHUEQPSA-N 497.593 -0.175 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CC(c4ccccc4)=NN3)C[C@@H]21)c1cccc(B(O)O)c1 1786985018 KMXBTPMTYXLGBE-MHADKKCISA-N 476.342 -0.274 50 20 JBGD C[C@H](Nc1cnccn1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1788626411 TZGKDWAECBDSLR-CBVHJVASSA-N 453.308 -0.750 50 20 JBGD COc1cncc(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)c1 1795737254 KXIXYDHTVQFKIU-OPMZPASUSA-N 453.304 -0.394 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)CN2CC(=O)NC2=O)[C@H]1c1cccnc1 1804190825 OCPNFVVRIAYVHV-MGPUTAFESA-N 459.507 -0.988 50 20 JBGD COC[C@H](NC(C)=O)C(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1810559359 KEZNJYNMDDFLPK-HLAWJBBLSA-N 468.319 -0.768 50 20 JBGD CN1CCN(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1827052087 NYWPHUWHGCZPNN-QFIPXVFZSA-N 456.396 -0.153 50 20 JBGD C[C@@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1830538230 YZKNSUHNMVSPKS-LIRRHRJNSA-N 469.141 -0.533 50 20 JBGD CC[C@@H](NC(N)=O)C(=O)N1CCC(N2CCC(NC(=O)c3cnccc3C(=O)NN)CC2)CC1 1835736844 JWDNLDNYGYTIIU-GOSISDBHSA-N 474.566 -0.683 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC1CCN(C2CCN(C(=O)c3ncccn3)CC2)CC1 1835736987 DZMRPDJUOZBDJI-UHFFFAOYSA-N 452.519 -0.026 50 20 JBGD CC(C)N[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1)C(C)C 1835928026 BFICLJFTGPPBAF-NFBKMPQASA-N 461.368 -0.541 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)c3ccncc3Cl)C2)C1 1835930169 AITGNBKXYWZJQS-NRFANRHFSA-N 459.695 -0.201 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)[C@H]3Cc4ccccc4O3)C2)C1 1835930425 IMCOGLIRKXCUMU-QPPBQGQZSA-N 466.299 -0.560 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)c3cc(N4CCCC4)ccn3)C2)C1 1835936902 IXGXVBPNWUNRSR-RUZDIDTESA-N 494.357 -0.255 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)c3cc4ncsc4[nH]3)C2)C1 1835938204 PYMVVIAGVDPLPY-OAQYLSRUSA-N 470.316 -0.312 50 20 JBGD Cc1cnc2c(C(=O)N3CCO[C@@]4(COCCN(C(=O)CCC(=O)NN(C)C)C4)C3)cnn2c1 1836949954 JEHJNSXOQKYZBB-JOCHJYFZSA-N 473.534 -0.519 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc4cncn4c3)CCO2)C1 1837122381 HGMSAQSAMHLGOT-HSZRJFAPSA-N 479.497 -0.283 50 20 JBGD Cc1cc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)on1 1837457003 VOFKUDJFQITLOY-OAQYLSRUSA-N 458.475 -0.706 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nn[nH]c3C(F)(F)F)C2)C1 1837459352 DEURIZCIAFBVMH-SFHVURJKSA-N 498.422 -0.794 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc3cccnn3n1)CCO2 1838426112 XKXRFZNHUYIJKL-VUEBRRCKSA-N 494.512 -0.067 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(Cl)cnc3O)C2)C1 1840183085 PTTLKMBNQVZCFY-FQEVSTJZSA-N 469.926 -0.116 50 20 JBGD Cc1nn(C)c(C(=O)N2CCOC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)c1F 1840183617 PSBFZUUAHGEZMR-HXUWFJFHSA-N 454.503 -0.689 50 20 JBGD Cc1cn(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@](C)(Cl)CCl)C3)C2)c(=O)nc1O 1840808376 VBQDQJRROUSYEL-MOPGFXCFSA-N 477.345 -0.050 50 20 JBGD Cn1c(=O)c2c(CC(=O)N3CC4(CCCN4C(=O)[C@H](O)CCl)C3)csc2n(C)c1=O 1841352552 WCWZGTQEGFQCOT-GFCCVEGCSA-N 454.936 -0.356 50 20 JBGD CC[C@@H](Br)C(=O)N1CC2(CCCN2C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)C1 1841985229 JSYRZPKBHZPTJO-GFCCVEGCSA-N 481.351 -0.189 50 20 JBGD NS(=O)(=O)c1ccc(CNC(=S)NNC(=O)c2csc(N3CCOCC3)n2)cc1 1318317847 FYUNFUIZQSIQKR-UHFFFAOYSA-N 456.575 -0.064 50 20 JBGD CN1CCN(C2(C(=O)NC[C@@]34CCCO[C@@H]3CCN(C(=O)CCC(=O)NN(C)C)C4)CC2)CC1 1780651562 MDNCXFDUJVCCPV-AUSIDOKSSA-N 478.638 -0.347 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)[C@H](O)NC(=O)OC(C)(C)C)C2)C1 1781858808 NQHWJKMVAMVPNW-OXJNMPFZSA-N 457.528 -0.968 50 20 JBGD COc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)ccc1O 1786982008 XAMNGRQBBQMUHA-MDKPJZGXSA-N 454.288 -0.012 50 20 JBGD COc1cc(CCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)ccn1 1786982693 DHXOUJIWRXAKDO-JBACZVJFSA-N 467.331 -0.004 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)[C@@H]1COc2ccccc2O1 1793840828 XHJRJVUJKQBTPS-GQSCTRQFSA-N 452.272 -0.590 50 20 JBGD O=C(COc1cc(Cl)ccn1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1797902264 ANKJXKPXGJSGLW-YVWYUNDQSA-N 459.695 -0.303 50 20 JBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2n(n1)CCCNC2=O)c1cccc(B(O)O)c1 1797966619 NHXQSOVYCCCTPL-BJWYYQGGSA-N 451.292 -0.738 50 20 JBGD CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](O)CCl)C3)C1 1802233208 JQHLWUVSKMVPNE-NPJQDHAYSA-N 461.943 -0.188 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H](CNC(=O)CN2CCOC2=O)[C@H]1c1cccnc1 1803336130 HSVOZZLGZQZJNB-DNVCBOLYSA-N 467.486 -0.148 50 20 JBGD O=C(CNC(=O)c1cccnc1)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1804367141 WIXHAZIEQOWDHY-AUSIDOKSSA-N 487.325 -0.094 50 20 JBGD CC(=O)OC[C@H](OC(C)=O)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1 1817476552 WSRPCGQDSNYKPQ-MOPGFXCFSA-N 486.290 -0.110 50 20 JBGD O=C(c1cccc(N2CCOCC2)n1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830728067 OGGUZLYCBUNROJ-LAUBAEHRSA-N 468.938 -0.412 50 20 JBGD CC1CCN(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)CC1 1831106171 ZQTSDRBOUDELPL-HSZRJFAPSA-N 459.352 -0.832 50 20 JBGD CC[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1)N(CC)CC 1831674608 JJAQYESHWUMSSF-XMSQKQJNSA-N 455.600 -0.064 50 20 JBGD Cc1nn(C)c(C)c1C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1831817940 BUCAOSQRHVJHOK-NRFANRHFSA-N 450.540 -0.520 50 20 JBGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(S(C)(=O)=O)cn3)CCO2)C1 1833599634 PZSZMSRCDKWPPL-KXBFYZLASA-N 475.951 -0.191 50 20 JBGD CCS(=O)(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCBr)CCO2)C1 1834818737 DCQWHUQSJSSACK-CJNGLKHVSA-N 470.386 -0.444 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC1CCN(C2CCN(C(=O)[C@H]3CCCS3(=O)=O)CC2)CC1 1835738280 RJSIPZYWFRRZLS-LJQANCHMSA-N 492.602 -0.553 50 20 JBGD C[C@H](Oc1ccccc1)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835932089 NHSMILHEZWJXPK-UUOWRZLLSA-N 468.315 -0.096 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)c3cc4ccoc4cn3)C2)C1 1835939264 JJWMCWUYINKZOK-HSZRJFAPSA-N 465.271 -0.109 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(CO)c(F)c3)C2)C1 1837460390 FQISAZKZAKFDCL-QHCPKHFHSA-N 487.488 -0.300 50 20 JBGD O=C(Cc1cn2c(nc1=O)SCC2)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1 1839044812 ZJEWXGOBHOEADT-KSSFIOAISA-N 460.915 -0.118 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(-n3cncn3)c1)CCO2 1839436549 YSSRVDNPHZGMQN-XMMPIXPASA-N 491.313 -0.669 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(N)=O)CCO2)C1 1839864407 ROIXGJDMBNZHSY-OAQYLSRUSA-N 478.458 -0.144 50 20 JBGD COC(=O)[C@@H]1CCC[C@@H](C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)C1 1840145635 MLCVXSXSENLKHL-IECBHUPTSA-N 488.346 -0.584 50 20 JBGD CCCC(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840185925 WMWNGAIYHGTTHH-IIBYNOLFSA-N 455.556 -0.879 50 20 JBGD C[C@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)CCS(C)(=O)=O)CCO2)C1 1840548152 OOWJAUWWVUVVKM-CZUORRHYSA-N 455.371 -0.092 50 20 JBGD CCS(=O)(=O)N[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)/C(C)=N/NC(=O)c1ccc[nH]1 1847786019 ZHKOHHHDDCFUQN-LMPBZQOYSA-N 452.537 -0.350 50 20 JBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 729276084 WSYIHAZRXLXCSA-NWDGAFQWSA-N 450.514 -0.689 50 20 JBGD CC(C)n1nc(C(=O)NNC(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)c2ccccc2c1=O 746387900 YBVXNRBMPQBRBV-INIZCTEOSA-N 470.530 -0.081 50 20 JBGD O=C(NNS(=O)(=O)c1cc(C(=O)O)sc1Br)N[C@@H]1CCS(=O)(=O)C1 919961069 QCXJKZMOOZWANE-RXMQYKEDSA-N 462.325 -0.112 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(=O)nc4sccn34)C2)C1 1779955248 BVTLSUICAMXAPG-FQEVSTJZSA-N 462.532 -0.428 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(C(=O)O)ncn3)[C@H]2C1 1785640629 GRWMJLCSVCISKL-GXLLAFGTSA-N 483.485 -0.098 50 20 JBGD CCc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cnccc4C(=O)NN)[C@H]3C2)nn1C 1788609975 IGEQQIIXRHACMG-IXDGSTSKSA-N 455.519 -0.112 50 20 JBGD C[C@](O)(C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1)C(F)(F)F 1788611750 YQZUMLBMZYOYKS-PCPUYYKTSA-N 459.425 -0.408 50 20 JBGD CC(C)(C)OC(=O)NC1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)CC1 1795737038 VWNFLKMRFJCLAF-ALXJQNPVSA-N 473.335 -0.373 50 20 JBGD CC(=O)OC[C@H](OC(C)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C(C)=N/NC(=O)c1ccc[nH]1)C2 1797786518 SLXUAOXBDMAZEW-ATBQOEDZSA-N 491.501 -0.795 50 20 JBGD CN(C)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN(C)NC(=O)NCc1ccccc1 1799094795 KYXMJHUFDPPWHR-HATOLVCRSA-N 460.579 -0.126 50 20 JBGD CN(CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2)NC(=O)NCc1ccccc1 1799094817 AEKPUVNUINCVNV-SFNKJDCFSA-N 467.954 -0.478 50 20 JBGD CCOc1c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)cnc2c1cnn2C 1801012913 DUAURIMGFFDOOT-YVWYUNDQSA-N 487.561 -0.057 50 20 JBGD CCS(=O)(=O)CC(=O)NC[C@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1803518640 SAYUXUWDZLCGTE-OXQOHEQNSA-N 453.565 -0.105 50 20 JBGD O=C(NC[C@@H]1CCN(C(=O)CN2CCCC2=O)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807362784 JOCLCFBIWNMCTL-AVRDEDQJSA-N 450.304 -0.297 50 20 JBGD CCS(=O)(=O)N[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807364432 IGXYJENZXIDJOZ-ZTNFWEORSA-N 488.375 -0.591 50 20 JBGD CNC(=S)NCCC(=O)NC[C@@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1810308868 CSECGIGFHSQNOD-HNAYVOBHSA-N 484.586 -0.116 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H](CNC(=O)[C@H](O)N2CCOCC2)[C@H]1c1cccnc1 1810353165 GKUOWILGFWRFJC-HFXUHXBXSA-N 483.529 -0.950 50 20 JBGD O=C(C(O)O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@@H](O)CCl)C2)C1 1828521162 VUZBRUMTHLQFGC-MGPUTAFESA-N 455.895 -0.651 50 20 JBGD CC(C)(C)OC(=O)N1C(=O)CC[C@@H]1C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](O)CCl)CCO2)C1 1830738116 LXLYMVAOYRVOFH-VTJXTGGHSA-N 489.953 -0.031 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCc3ccoc3C1)CCO2 1830930301 KOUVHAZZIDZSTC-DVECYGJZSA-N 468.315 -0.166 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC1CCN(C2CCN(C(=O)c3cc(C(=O)O)ncn3)CC2)CC1 1835737148 PDNDWNKLPFVBQP-UHFFFAOYSA-N 496.528 -0.328 50 20 JBGD CCc1ncccc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835927674 WOUAIMBAVIHYKF-HSZRJFAPSA-N 453.304 -0.292 50 20 JBGD O=C(c1ccc(Cl)nc1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835934213 PRIKVIXVJHNBPN-OAQYLSRUSA-N 459.695 -0.201 50 20 JBGD COc1ccnc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)c1OC 1835938079 ITHXCYOUGQXRNK-HSZRJFAPSA-N 485.302 -0.838 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CNc4ccccc43)C2)C1 1837457716 NAOJSGBZZDWUEL-NTKDMRAZSA-N 480.525 -0.036 50 20 JBGD CC[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNCP(=O)(O)O)C2)C1 1839963223 DXBLQWNTVQWKTF-SWLSCSKDSA-N 472.273 -0.659 50 20 JBGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCCS3(=O)=O)C2)C1 1840035510 UMLROTYPVNZCBA-ZENOOKHLSA-N 453.355 -0.197 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3c4c(nn3C)CCC4)C2)C1 1840184892 FCOBUGIELWCRJF-JOCHJYFZSA-N 462.551 -0.648 50 20 JBGD Cc1nccn1CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1840388192 OVPIEOVLIQNYSK-HSZRJFAPSA-N 485.545 -0.260 50 20 JBGD CN(CC(=O)N1CC2(CCCN2C(=O)[C@@H](N)CCC(N)=O)C1)NC(=O)NCc1ccccc1 1842880981 IWNDPLQNYJXXJH-KRWDZBQOSA-N 459.551 -0.871 50 20 JBGD Cn1c(=O)c2nc(Br)n(CC(=O)NNC(=O)c3cccc([N+](=O)[O-])c3)c2n(C)c1=O 23058041 GDJQGMAHRDZKQL-UHFFFAOYSA-N 480.235 -0.434 50 20 JBGD NS(=O)(=O)c1ccc(N2CCN(C(=O)NNC(=O)c3csc(N4CCOCC4)n3)CC2)cc1 729221029 HBAWWTUUZRRSNY-UHFFFAOYSA-N 495.587 -0.196 50 20 JBGD O=C(CNS(=O)(=O)c1ccc(Br)cc1)NNC(=O)[C@@H]1CCS(=O)(=O)C1 788024398 XLRIEEQGANQNJR-SECBINFHSA-N 454.324 -0.691 50 20 JBGD O=C(NNC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1)c1cccc(S(=O)(=O)N2CCOCC2)c1 914710179 JDJSLUQWWTXQDE-ZDUSSCGKSA-N 478.449 -0.121 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc4nonc4c3)C[C@@H]21)c1ccc(B(O)O)cc1 1786979851 UJTRCXLBIWIPJT-KNBMTAEXSA-N 450.260 -0.190 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ncn(-c4cccc(F)c4)n3)C[C@@H]21)c1ccc(B(O)O)cc1 1786980226 XNQCJHWXHYRZGR-NDXORKPFSA-N 493.304 -0.007 50 20 JBGD NC[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1)c1ccccc1 1786984505 NBAOARLQPJHLRD-QESAQDPVSA-N 451.332 -0.298 50 20 JBGD CC(C)NC(=O)OC(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786984792 KISNXWOWPKCYDH-WDSOQIARSA-N 475.351 -0.127 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3ccccc3=O)C[C@@H]21 1787508566 AZNUUABOBPRASW-BODMQJBDSA-N 468.514 -0.038 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCN3CCN(C)CC3)C[C@@H]21 1787508914 RXJFQCSGVIHQPA-QYVIPLSYSA-N 487.605 -0.262 50 20 JBGD C[C@@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnccc1C(=O)NN)C2)[C@H]1SC(=N)NC1=O 1796880903 MYUVTYXRHFUGJW-BJIWRROBSA-N 459.532 -0.261 50 20 JBGD COC(=O)[C@@H]1CC=CC[C@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2 1800962411 TYVXJGVYEVGBGN-QRXRQMIZSA-N 450.536 -0.296 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)CCN2C(=O)C=CC2=O)[C@@H]1c1cccnc1 1803916952 MCUWXLQOEGOFDG-HXOBKFHXSA-N 470.530 -0.225 50 20 JBGD CCC(=O)N[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807363353 DESZPUXRNZCXPF-FYINFDKHSA-N 452.320 -0.004 50 20 JBGD O=C(NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)c1cc(O)nc(O)n1 1808294836 CGOYWIWNVZEKFR-DNVCBOLYSA-N 463.259 -0.404 50 20 JBGD CC(=O)OC[C@H](OC(C)=O)C(=O)NC[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1 1810340076 FNUUQPPUJWRFRD-IPJJNNNSSA-N 491.545 -0.045 50 20 JBGD CCNC(=S)NCC(=O)NC[C@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1812331926 XGJUOKJCXURURU-DNVCBOLYSA-N 484.586 -0.116 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCC([C@H]2CCCCN2C(=O)CNCP(=O)(O)O)CC1 1826803968 OWJNFSOFLKEOCJ-QGZVFWFLSA-N 482.478 -0.357 50 20 JBGD CC(=O)N[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1)C(C)(C)C 1831093145 FKXWQPOUQCBGLU-SIKLNZKXSA-N 469.583 -0.633 50 20 JBGD C[C@@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CC(=O)NC3=O)CCO2)C1 1832471965 RIOHKMRLNIPUTF-YVEFUNNKSA-N 461.313 -0.974 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1COc3ccccc3O1)CCO2 1832498243 CXVMKORQCRJSTK-XXBNENTESA-N 476.530 -0.344 50 20 JBGD CN(CC(=O)N1CCOC[C@@]2(CN(C(=O)CC#N)CCO2)C1)NC(=O)NCc1ccccc1 1834766059 USOWFHPYJXIOJW-JOCHJYFZSA-N 458.519 -0.297 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCc4ccccc4[C@H]3O)C2)C1 1835934038 KWQHHPBYXMASSG-JQYIIUTOSA-N 494.353 -0.268 50 20 JBGD C[C@H](Oc1ccccn1)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835934526 WYHIAPOWUANCKE-SBUREZEXSA-N 469.303 -0.701 50 20 JBGD CC(C)Cc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)n(C)n1 1835936007 ZWVSQBZJPPVEAZ-DEOSSOPVSA-N 484.362 -0.318 50 20 JBGD C[C@@H](Nc1cccnc1)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837457443 BWDMDBHPRKBSMH-MWTRTKDXSA-N 483.529 -0.349 50 20 JBGD N#Cc1cccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)c1 1837459286 BDYAGNZVMZOGLX-QHCPKHFHSA-N 464.482 -0.059 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(OCCCO)cc1)CCO2 1838546741 KOYYZWZVTJWWNU-RUZDIDTESA-N 498.341 -0.489 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(Cl)c(O)cc1O)CCO2 1839252438 DZLNTIHDCHIBTO-JOCHJYFZSA-N 490.705 -0.185 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)Cc1ccccc1)CCO2 1839957876 KFQFPWHCBJTMOS-XUZZJYLKSA-N 468.315 -0.960 50 20 JBGD CC[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN(C)C(=O)C(=O)O)C2)C1 1839966836 RAFXRZLSSZNUHU-YVEFUNNKSA-N 464.313 -0.841 50 20 JBGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](CCN)NC(=O)OC(C)(C)C)C2)C1 1840151451 BMNZNGZZLMOIEQ-WHSLLNHNSA-N 493.001 -0.061 50 20 JBGD CC(=O)Nc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)ccn1 1840184403 KEJJPSMUWWWOKI-JOCHJYFZSA-N 476.534 -0.517 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(-c4ccncc4)[nH]n3)C2)C1 1840185452 MEJCOTPPQRIFPN-HSZRJFAPSA-N 485.545 -0.085 50 20 JBGD CC(C)(C)OC(=O)N1CC[C@H](O)[C@@H](C(=O)N2CC3(CCCN3C(=O)c3cccc(B(O)O)c3)C2)C1 1843014113 YPPDJOAPMIGKEA-OALUTQOASA-N 487.362 -0.199 50 20 JBGD CC(C)(C)OC(=O)N[C@H](CCO)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc(B(O)O)cc1 1847639942 XSXNXTAPJBPADG-SQNIBIBYSA-N 461.324 -0.543 50 20 JBGD CCn1nc(C(=O)NNC(=O)Cn2cc(Br)c(=O)[nH]c2=O)c2ccccc2c1=O 28580493 WQOMVQCFXQKGDG-UHFFFAOYSA-N 463.248 -0.510 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2nccnc2C(N)=O)C1 1779938742 SHNDHCSVLHMGIN-XSJBQUJOSA-N 496.528 -0.163 50 20 JBGD Cn1c(=O)c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)nc2ccccc21 1786983377 QAJGWRGKBDDIAK-MDKPJZGXSA-N 490.325 -0.480 50 20 JBGD O=C(NC1(c2ccc(NC(=O)[C@@H](O)N3CCOCC3)cc2)CCC1)c1ccc(B(O)O)cc1 1789554333 CEYTWWUTXIVQRO-JOCHJYFZSA-N 453.304 -0.235 50 20 JBGD Cn1ncc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)c1C(F)(F)F 1794276723 SVSXKNVCZSFEHA-QHBPRCKVSA-N 481.435 -0.046 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1COc3ccccc3O1)C2)c1ccc(B(O)O)cc1 1795732816 LHOFGYLODWUFSO-GQSCTRQFSA-N 452.272 -0.590 50 20 JBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc3ccc(F)cn3n1)C2 1797753747 FASOLKFIKRIUHL-DPIQGUFMSA-N 468.449 -0.616 50 20 JBGD CC(C)(C)OC(=O)N1CCN(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](O)CCl)C3)C(=O)C1 1802188143 LQUXPEYHEBMWDT-KRXQYRFLSA-N 488.969 -0.745 50 20 JBGD O=C(CCN1CCOCC1)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1806950315 FEPJYCCMLCXONG-OFNKIYASSA-N 466.347 -0.197 50 20 JBGD CCOC(=O)N[C@H](O)C(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807373819 CCRGAJUUBBRSHE-ILZDJORESA-N 470.291 -0.855 50 20 JBGD O=C(NC[C@H]1CCN(C(=O)c2cc(=O)nc3cccnn23)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807375303 NWVJCGVPXFPUEQ-JPYJTQIMSA-N 498.308 -0.202 50 20 JBGD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(C(=O)O)ncn1)CC2)c1ccc(B(O)O)cc1 1815337905 XRFZLCONEDWVDB-LBPRGKRZSA-N 467.272 -0.149 50 20 JBGD Cn1c(=O)c2c(ncn2CC(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@@H](O)CCl)[nH]n2)n(C)c1=O 1815797247 ICCLVDMZQVYOMK-STQMWFEESA-N 492.924 -0.551 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(=O)n3[nH]cnc3n2)n[nH]1 1817468218 FASRLXPLACXJBU-CQSZACIVSA-N 470.494 -0.180 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)c1ccco1)CCO2 1829823953 KPZWEIJFNFYUGW-DYESRHJHSA-N 459.459 -0.918 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(C)n(C)n1)CCO2 1834118677 YNDSQRMVSVJVBF-ZHNJOBQTSA-N 471.518 -0.067 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)c3nc4ncccn4n3)CC2)CC1)c1cccc(B(O)O)c1 1834799944 HFUYEFHMVJANMI-UHFFFAOYSA-N 477.334 -0.697 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)[C@H]3COc4ccccc4O3)C2)C1 1835927197 LMIDDFWYVQSPOS-QPPBQGQZSA-N 482.298 -0.724 50 20 JBGD O=C(c1cc(Cl)c2nncn2c1)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835938042 GXNXEGZGBNLLSO-QFIPXVFZSA-N 499.720 -0.554 50 20 JBGD CC(C)n1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)n1 1838783463 CLQVTYGMDROMEC-JOCHJYFZSA-N 456.308 -0.472 50 20 JBGD COc1ccccc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1838875879 QKFFNMXOELNEMV-QHCPKHFHSA-N 454.288 -0.241 50 20 JBGD O=C(CCNS(=O)(=O)c1ccc2c(c1)OCCCO2)NNC(=O)CNC(=O)c1ccco1 725739360 CQUJZUWULIFPAY-UHFFFAOYSA-N 466.472 -0.313 50 20 JBGD O=C1COc2ccc(C(=O)N3CC[C@@]4(CN(C(=O)c5cccc(B(O)O)c5)CCO4)C3)cc2N1 1778573908 OFZDFWCILHTZPQ-QHCPKHFHSA-N 465.271 -0.545 50 20 JBGD CS(=O)(=O)c1cncc(C(=O)N2CCO[C@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)c1 1779029370 WOESLDPCXBXVIA-NRFANRHFSA-N 488.526 -0.759 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C[C@@](C)(O)CC(=O)O)C2 1782213936 BGROXDYRJISGQS-IPHXSNPTSA-N 456.540 -0.511 50 20 JBGD COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1783858239 MXWMMNRXTJHQDZ-GSHUGGBRSA-N 450.536 -0.055 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1ccc(N2CCOCC2)cn1 1785723315 YQEUHPQNVMKHPM-HARLFGEKSA-N 494.357 -0.495 50 20 JBGD COc1ccc([C@H](O)C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)cc1 1786978730 NXYMRBMNVFAYOT-MQGJPIDWSA-N 468.315 -0.298 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnc4[nH]ncc4c3)[C@H]2C1 1788275352 YVPRQUHSPOJGCI-IGNZVWTISA-N 464.486 -0.137 50 20 JBGD O=C1Nc2c(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)c5ccc(B(O)O)cc5)C[C@@H]43)cccc2C1=O 1788434498 NTZOZMWQAKRIHA-JVPBZIDWSA-N 477.282 -0.592 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C/N=C/c3ccco3)C[C@@H]21 1788611094 LBBUXPJWAMIFIX-LYRBGNHUSA-N 454.487 -0.010 50 20 JBGD C[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN(C)NC(=O)NCc3ccccc3)C[C@@H]21)n1cnnn1 1791687464 LXTPFNMSPREYKC-LEAZDLGRSA-N 499.576 -0.440 50 20 JBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnn(-c2cccnc2)c1 1794445484 JFGCKIFJVGRLGT-UPHUGPLXSA-N 455.519 -0.157 50 20 JBGD COC(=O)c1ccc(OCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)cc1 1795736890 MZCBTCBXYYROHL-OPMZPASUSA-N 482.298 -0.565 50 20 JBGD COc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C(C)=N/NC(=O)c2ccc[nH]2)nn1C 1796441450 JGGNCQZDMNVIIW-GBQKICQVSA-N 457.491 -0.234 50 20 JBGD Nc1n[nH]c(CCC(=O)NC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)n1 1810146440 DFLZFFMYIOUQNC-JXFKEZNVSA-N 463.307 -0.586 50 20 JBGD CCOC(=O)N[C@H](O)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827052258 RIQYBRAKDIIECW-RBUKOAKNSA-N 461.324 -0.336 50 20 JBGD O=C(c1cnc2c(c1)CCNCC2)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830735500 HUOVGZVFEFPDRG-WIYYLYMNSA-N 452.939 -0.561 50 20 JBGD O=C(c1ccc(N2C(=O)C=CC2=O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830737170 BSWOFOMXJHLGPW-HTAPYJJXSA-N 477.901 -0.214 50 20 JBGD CC(C)(C)OC(=O)N[C@H](C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2)C(C)(C)O 1830738965 WLXQQPCFHMLDBO-ZSDSOXJFSA-N 493.985 -0.293 50 20 JBGD CCS(=O)(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCBr)C2)C1 1831325492 URGGFYBCEFEIOK-XJKSGUPXSA-N 470.386 -0.444 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)CN(CCO)CCO)CC1 1831875581 ZICCRDUQTVZJIQ-LJQANCHMSA-N 455.600 -0.734 50 20 JBGD C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1833076033 NBDAJYBVIBAIJX-SREVYHEPSA-N 468.363 -0.590 50 20 JBGD C[C@H](CS(C)(=O)=O)C(=O)NC1CCN(C2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1 1833485593 UZAWCHYCXQOWGE-MRXNPFEDSA-N 473.640 -0.388 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC1CCN(C2CCN(C(=O)Cn3ccnc3)CC2)CC1 1835737153 PHDVDMWDSORRSF-UHFFFAOYSA-N 454.535 -0.233 50 20 JBGD Cc1ccccc1NCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1835862396 MZWDNEBNNJNKMA-DEOSSOPVSA-N 467.331 -0.143 50 20 JBGD CN(CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2)C(=O)OC(C)(C)C 1835929577 WZQAGEAKOGYFQP-QHCPKHFHSA-N 491.350 -0.697 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)c3c(F)cncc3F)C2)C1 1835931418 RKSWIFWWWQIOPO-NRFANRHFSA-N 461.230 -0.577 50 20 JBGD COC(=O)[C@@H]1CC=CC[C@H]1C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835933912 INZWPXWCEBBDKA-REHUZNOOSA-N 486.330 -0.808 50 20 JBGD O=C(COc1cc(Cl)ccn1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835938483 WEUMEAIDMVGNST-JOCHJYFZSA-N 489.721 -0.436 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3ccc[nH]3)CCO2)C1 1836013785 AYXQNGYGMRFMLR-JOCHJYFZSA-N 456.503 -0.284 50 20 JBGD Cc1nnc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)s1 1836084055 BAEMQAHYLMDFQH-LJQANCHMSA-N 454.553 -0.782 50 20 JBGD Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)ccn1 1837937962 BSSNABZIQKWMEE-QFIPXVFZSA-N 454.487 -0.228 50 20 JBGD O=C(COC(=O)c1ccc(S(=O)(=O)CCO)cc1)NNC(=O)[C@@H]1COc2ccccc2O1 728340102 UCTTZRDBTHCGKD-KRWDZBQOSA-N 464.452 -0.403 50 20 JBGD COC(=O)NCCCC(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 730740379 DQUPVESZIUJIIP-UHFFFAOYSA-N 456.521 -0.076 50 20 JBGD CN1CCN(S(=O)(=O)N2CCN(C(=O)NNC(=O)c3cc(Br)c[nH]3)CC2)CC1 918778505 IZYVBYKQAFVSJS-UHFFFAOYSA-N 478.373 -0.759 50 20 JBGD CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)NNC(=O)CCN3C[C@@H](C)O[C@H](C)C3)cc2)CC1 920279867 PCHKYPIWIJVFEK-IAGOWNOFSA-N 495.602 -0.200 50 20 JBGD Cc1cc(C)n2ncc(C(=O)N3CC[C@]4(CN(C(=O)c5ccc(B(O)O)cc5)CCO4)C3)c2n1 1777775568 HFSGKQHPTCUTOT-HSZRJFAPSA-N 463.303 -0.217 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)c3cc4cn[nH]c4cn3)CCO2)C1 1779031469 AKHVBCGKHYCTJE-OAQYLSRUSA-N 450.459 -0.286 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1CCCCC1=O)C2 1779374694 CTLGLRYDOPLRDT-WZONZLPQSA-N 472.546 -0.175 50 20 JBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CC(=O)N(C3CCCC3)C1)C2 1801010578 HZVWIFGNIAAHTM-FSTVOOFJSA-N 463.579 -0.260 50 20 JBGD CCS(=O)(=O)N[C@@H](C)C(=O)N1CCCC2(CCN(C(=O)CCC(=O)NN(C)C)CC2)C1 1805959309 BLZIUZSBTNNROJ-INIZCTEOSA-N 459.613 -0.082 50 20 JBGD CCS(=O)(=O)CC(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807364437 ILFXXSHKJREPIT-FXAWDEMLSA-N 459.333 -0.484 50 20 JBGD O=C1C[C@H](C(=O)N2CC[C@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)CCN1 1807374810 OCBXCTJFWOVNFX-HGHGUNKESA-N 450.304 -0.393 50 20 JBGD CS(=O)(=O)CCC(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1813575025 UDBFVYVFSPMCGX-PXNSSMCTSA-N 459.333 -0.484 50 20 JBGD Cc1cn(CC(=O)NC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)c(=O)nc1O 1814038943 IQMNKQQSRKQTAW-GHTZIAJQSA-N 491.313 -0.648 50 20 JBGD NC(=O)c1nccnc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827057450 FPNAPFFPYKBEDN-SFHVURJKSA-N 465.319 -0.198 50 20 JBGD C[C@@H](NNc1ccccc1)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1829809443 VVMYHIUXGQUWNO-MZNJEOGPSA-N 497.556 -0.240 50 20 JBGD C[C@H](CNC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1830748019 YTAJRAJABZZKOU-UZUQRXQVSA-N 499.609 -0.023 50 20 JBGD C[C@@H](CS(C)(=O)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCBr)C2)C1 1831455096 YARONHDTOUXXLM-XJKSGUPXSA-N 455.371 -0.092 50 20 JBGD COc1ncccc1CCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1833004794 LTQHQLYNVTWKHZ-HSZRJFAPSA-N 477.562 -0.148 50 20 JBGD Cc1nnc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)s1 1835927203 LOVCRVUUWHBRRN-NRFANRHFSA-N 474.348 -0.771 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)c3cc4ncsc4[nH]3)C2)C1 1835930257 FUGSDEHMMHGWCU-NRFANRHFSA-N 470.316 -0.312 50 20 JBGD COc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)c(OC)c1 1835931703 XZHLQIYQCATEBE-XMMPIXPASA-N 484.314 -0.233 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCC(OC2CCN(C(=O)[C@H](O)CCl)CC2)CC1 1836716971 BFXFSPLWUIEXSA-QGZVFWFLSA-N 453.927 -0.103 50 20 JBGD CC(=O)N(C)CCC(=O)N1CCC(OC2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1837039803 DHPSOXFZRYPVBE-UHFFFAOYSA-N 459.352 -0.153 50 20 JBGD CNC(=S)NCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1837467110 XNOOKRMPVBQPCH-SWLSCSKDSA-N 455.350 -0.383 50 20 JBGD CS(=O)(=O)CC(=O)N1CCC(OC2CCN(C(=O)c3cnccc3C(=O)NN)CC2)CC1 1837770127 OIORXPVCIJUEGV-UHFFFAOYSA-N 467.548 -0.658 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc([N+](=O)[O-])cc1F)CCO2 1839277900 QTNXQNSMROIXFU-QFIPXVFZSA-N 487.249 -0.203 50 20 JBGD O=C(c1ccc(N2C(=O)C=CC2=O)cc1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1840770942 UBOJRNWXEREWIW-JTSKRJEESA-N 477.901 -0.214 50 20 JBGD CC(=O)N1CCC(CNC(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)CC1 729623562 GSEHRLPVCXSWGF-UHFFFAOYSA-N 453.569 -0.098 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)c3ccc4nonc4c3)CCO2)C1 1779030706 UZNQGFGMMRUCIW-OAQYLSRUSA-N 451.443 -0.021 50 20 JBGD C[C@H](Cn1ccnc1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1 1788611284 RGSWMSOLUBSWDB-PDWMJMLSSA-N 455.519 -0.189 50 20 JBGD COc1ccc(F)cc1CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795737164 ZGJPRZUSVQTADG-FAQVEIGNSA-N 456.279 -0.040 50 20 JBGD CN(CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1)NC(=O)NCc1ccccc1 1796188421 DFRKYLQECCTXBR-KOUNCHBCSA-N 493.373 -0.036 50 20 JBGD CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1 1796189293 UTPZKFHWOTUTPO-WPVAHCMFSA-N 487.362 -0.012 50 20 JBGD COC(=O)[C@@H]1CC=CC[C@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1800949987 BJOGUSNEIGKZFA-QQXMDYFESA-N 456.304 -0.675 50 20 JBGD O=C(CCN1C(=O)C=CC1=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1815472477 YROMAGOGZFFXGU-QGZVFWFLSA-N 465.275 -0.290 50 20 JBGD NCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1828956317 IJWJIHPPEVWWRC-XMMPIXPASA-N 480.330 -0.609 50 20 JBGD Cc1cccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)n1 1830916197 GGBNHRIKBXOKEK-HSZRJFAPSA-N 468.514 -0.299 50 20 JBGD CSCC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1831532981 KBUMSUNKKXDAPO-OAQYLSRUSA-N 450.366 -0.174 50 20 JBGD C[C@@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835926677 YPZUEHOIKHCDLT-IFXJQAMLSA-N 469.141 -0.533 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)c3cc4ncccc4[nH]3)C2)C1 1835932158 QSBJSMXLOFOLQY-HSZRJFAPSA-N 464.287 -0.374 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)CSc3ccncc3)C2)C1 1837456650 LUIXZRPBMJSPQC-QFIPXVFZSA-N 486.554 -0.058 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/c3cccnc3)C2)C1 1837457178 XKKZLWPTPRCZCK-CRTIWDKESA-N 466.498 -0.137 50 20 JBGD O=C(COc1cc(Cl)ccn1)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1837651972 KBASQXCPTVGTRR-JOCHJYFZSA-N 489.721 -0.436 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)O)C2)C1 1838528150 ICFMCWWOZMZSDW-RBZFPXEDSA-N 451.432 -0.029 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cncn3)C2)C1 1838528304 PBDSVWNZAZAZDT-NRFANRHFSA-N 488.457 -0.118 50 20 JBGD CN(CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn(C)cn3)C2)C1)NC(=O)NCc1ccccc1 1839054232 MVYQTQKYDKCBOY-DEOSSOPVSA-N 499.572 -0.164 50 20 JBGD C[C@](Cl)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@H]3NC(=O)NC3=O)C2)C1 1839150723 VTFPAQUFYHPXOS-ZTFRIQLXSA-N 451.307 -0.723 50 20 JBGD CC(=O)Nc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)cc1 1840726838 RSGNWTDYNRTWHP-DEOSSOPVSA-N 481.314 -0.291 50 20 JBGD Cc1cn(CC(=O)N2CCCC23CN(C(=O)CN(C)NC(=O)NCc2ccccc2)C3)c(=O)nc1O 1846970062 RPKXQLKXUVTUQB-UHFFFAOYSA-N 497.556 -0.193 50 20 JBGD COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NNC(=O)CCN1C[C@H](C)O[C@@H](C)C1 751425934 OEEUINLFLDGLET-HOTGVXAUSA-N 484.575 -0.024 50 20 JBGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)c1 788022776 HQYNSIQSBGTFMH-CQSZACIVSA-N 474.561 -0.971 50 20 JBGD CCn1cnc2c1c(=O)n(CC(=O)NNC(=O)[C@H]1CCN(C)C(=O)C1)c(=O)n2Cc1ccccc1 912497023 LVTBLLSPWXSSSM-INIZCTEOSA-N 481.513 -0.556 50 20 JBGD COc1ccc(NCC(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)cc1 914465230 JRTHXQUBHMJCIL-UHFFFAOYSA-N 461.500 -0.311 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3ON=C(c4ccccc4)O3)C2)C1 1778873660 SYESPIVTSIQVNN-GOTSBHOMSA-N 480.481 -0.137 50 20 JBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2)c1cc2n(n1)CCCNC2=O 1778917237 YCWFWJKFRWLPSS-HYBUGGRVSA-N 495.345 -0.862 50 20 JBGD CCNC(=O)N[C@@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)C2 1779326088 WCNHSKGZTQRXQQ-GCKMJXCFSA-N 454.572 -0.419 50 20 JBGD CN(CC(=O)N1CC[C@@]2(C1)CN(C(=O)Cn1cncn1)CCO2)NC(=O)NCc1ccccc1 1780970476 WMMISNOIYTWJSK-JOCHJYFZSA-N 470.534 -0.546 50 20 JBGD C[C@@H](CBr)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNCP(=O)(O)O)C[C@@H]21 1783968095 QOVLOIDQDSUHSV-CYDGBPFRSA-N 456.274 -0.278 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)[C@@H]1ON=C(c2ccccc2)O1 1788520019 FGEYILWEGPNKIA-CDSYHYPYSA-N 479.298 -0.306 50 20 JBGD COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)CCl 1792982793 NSDBMENNWFLZRJ-RGHULWKBSA-N 477.942 -0.368 50 20 JBGD CN(CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)ncn1)NC(=O)NCc1ccccc1 1793492709 JNJOMQCYMPKFDS-UPHUGPLXSA-N 483.529 -0.268 50 20 JBGD O=C(CCN1C(=O)c2ccccc2C1=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1793862914 FKKUFLUMBUTXEA-FAQVEIGNSA-N 491.309 -0.744 50 20 JBGD CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)C1 1795739288 ZRMWYDCTKBLAHD-FTEYMNFISA-N 487.362 -0.173 50 20 JBGD CS(=O)(=O)Cc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc(B(O)O)c2)cn1 1796190943 GWKFIELJKCYDJZ-ACDBMABISA-N 471.344 -0.128 50 20 JBGD CN[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc([N+](=O)[O-])ccc1OC(C)=O)C(=O)O 1798522239 LFOJUVOELKVUQK-UESRRSCYSA-N 478.458 -0.214 50 20 JBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc3ccccc3n(C)c1=O)C2 1801011579 USCOTXNECBGMPF-YVWYUNDQSA-N 470.530 -0.490 50 20 JBGD CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc(B(O)O)c2)C3)C1 1802414165 WHPJPANVCCCIHJ-NRAIQUKZSA-N 487.362 -0.010 50 20 JBGD CN1N=C(C(=O)N2CC[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)CCC1=O 1807369953 ZLGNEFHOBVEUAT-LAUBAEHRSA-N 463.303 -0.311 50 20 JBGD CC[C@H](NC(N)=O)C(=O)N1CC[C@@H](CNC(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1810303900 WAQMAKNUXDAXNM-WBAXXEDZSA-N 468.518 -0.153 50 20 JBGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)C=CC2=O)[nH]n1)c1cccc(B(O)O)c1 1817479498 NZAOWZHLZFWDDZ-INIZCTEOSA-N 451.248 -0.680 50 20 JBGD COC[C@H](Cl)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(=O)n3[nH]nnc3n1)CC2 1825999490 XGWPOLKJTOFZMO-SFYZADRCSA-N 452.884 -0.251 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CC(=O)N(C3CCCC3)C1)CCO2 1832358200 WPUMMUNONMDVOO-KBMIEXCESA-N 499.373 -0.773 50 20 JBGD C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1 1833076622 DIVDBFAAZGBMPD-WAYWQWQTSA-N 462.595 -0.211 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CC(=O)N(C4CCCC4)C3)C2)C1 1835927050 CFSQSJOVDUWWNA-CLOONOSVSA-N 499.373 -0.773 50 20 JBGD C[C@@H](Nc1ccccc1)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835938200 PUUWCQCCSWHINH-KOSHJBKYSA-N 467.331 -0.063 50 20 JBGD C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1)N1C[C@@H]2C[C@H]2C1 1837287900 CGXKTSCVMQJRFC-MSQSPTIYSA-N 451.568 -0.844 50 20 JBGD O=C(CCN1CCOCC1)N1CCC(OC2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1837816038 UHTAKSNETZYFCH-UHFFFAOYSA-N 473.379 -0.299 50 20 JBGD CCc1ncsc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1838837252 KBYDQHDYSTUNMG-OAQYLSRUSA-N 459.333 -0.231 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(O)cc3)CCO2)C1 1838970402 OVSGGPMJHGEXBE-JOCHJYFZSA-N 455.471 -0.226 50 20 JBGD CN(CC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cnc[nH]3)C2)C1)NC(=O)NCc1ccccc1 1839054164 JGXJPFMNLWGSIR-DEOSSOPVSA-N 499.572 -0.245 50 20 JBGD CN1CCCn2nc(C(=O)N3CCO[C@]4(COCCN(C(=O)[C@@H](O)CCl)C4)C3)cc2C1 1839620632 NDDYQPPKMGWCCB-FXAWDEMLSA-N 455.943 -0.612 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(CO)c(F)c1)CCO2 1840783194 XWHBUQIZOVQLEM-QHCPKHFHSA-N 472.278 -0.618 50 20 JBGD C[C@H](NC(=O)c1cnccn1)C(=O)N1CCCC12CN(C(=O)c1cnccc1C(=O)NN)C2 1844332983 ZASLHKLFGTZLPL-ZDUSSCGKSA-N 452.475 -0.889 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCCC12CN(C(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)C2 1846385485 LVKLGNGELWAJGL-OAHLLOKOSA-N 455.556 -0.162 50 20 JBGD CCOC(=O)c1ccc(Br)c(S(=O)(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c1 728510514 LSKSFYOYBXLBJU-MRVPVSSYSA-N 472.339 -0.127 50 20 JBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NCc2cccc(S(N)(=O)=O)c2)cc1 916626086 TXCNAXBHVFYBPL-UHFFFAOYSA-N 469.545 -0.206 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc4cn[nH]c4cn3)C2)C1 1778778591 NHXDZCKGGHLBJX-OAQYLSRUSA-N 450.459 -0.286 50 20 JBGD Cc1onc(-c2ccncn2)c1C(=O)N1CC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1780048314 QIHYJZAHMJMFHO-HSZRJFAPSA-N 477.286 -0.123 50 20 JBGD CC(=O)NCCC(=O)N1CCO[C@]2(CCN(C(=O)CN(C)NC(=O)NCc3ccccc3)C2)C1 1780968792 PXKBJVVLINQFMT-QHCPKHFHSA-N 474.562 -0.311 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)[C@H]2C1 1784197271 NAIUKSPRXJSEJF-FJIDUMEYSA-N 499.609 -0.385 50 20 JBGD CCOc1cnc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)cn1 1794338409 LHIODKUYRSESNY-IVWMJMPLSA-N 455.475 -0.609 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1ccccc1=O 1795774786 BNXVZXLNLWPPKK-OYSOCFBGSA-N 454.487 -0.428 50 20 JBGD C[C@@H](Nc1nccs1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1796412641 BTFGFFNXEYNQHZ-NFFDBFGFSA-N 459.532 -0.155 50 20 JBGD CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2 1800806900 OSGAJQURTWRELK-YUDUXTHKSA-N 461.943 -0.454 50 20 JBGD NC(=O)c1ncccc1C(=O)N[C@@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815354785 DNBCDJHIWWAAHH-CYBMUJFWSA-N 465.300 -0.144 50 20 JBGD O=C(Nc1cc([C@H]2CCCCN2C(=O)[C@H](O)N2CCOCC2)[nH]n1)c1cccc(B(O)O)c1 1817476453 SMBYBVHRDGTSLO-XLIONFOSSA-N 457.296 -0.954 50 20 JBGD CCOC(=O)c1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)ccn1 1830730876 FLZDIMGICAMZTF-JXFKEZNVSA-N 455.895 -0.072 50 20 JBGD Cc1cc(C)n(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)n1 1833039877 YTBGYCNOQPZGNI-JOCHJYFZSA-N 471.518 -0.731 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCC(N2CCC(NC(=O)c3cccc(=O)n3O)CC2)CC1 1833961941 RCAVXHYUMIJRAT-UHFFFAOYSA-N 483.529 -0.417 50 20 JBGD Nc1nc(C(=O)N2CCC(N3CCC(NC(=O)c4ccc(B(O)O)cc4)CC3)CC2)cs1 1834797980 SJBAHYUKDPOJKF-UHFFFAOYSA-N 457.365 -0.096 50 20 JBGD O=C1CC[C@@H](C(=O)N2CCC(N3CCC(NC(=O)c4cccc(B(O)O)c4)CC3)CC2)CN1 1834800522 JZIXQCJWRMWVQO-QGZVFWFLSA-N 456.352 -0.922 50 20 JBGD CC(C)(C)OC(=O)N[C@H](CCN)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1835640460 LOOZPSAHYVBSDG-SIFCLUCFSA-N 478.974 -0.715 50 20 JBGD Nc1c(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)sc2nccnc12 1835935852 VDPJMWQVMDGBAL-JOCHJYFZSA-N 497.342 -0.663 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)c3cc(-c4ccncc4)[nH]n3)C2)C1 1835938010 GBNQXPHUDAJZTJ-DEOSSOPVSA-N 491.313 -0.465 50 20 JBGD C[C@H](Oc1cccnc1)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837460748 JTQIPDJZXFQDAB-QMHKHESXSA-N 484.513 -0.382 50 20 JBGD O=C1CN(c2cccc(C(=O)N3CC4(CCCN4C(=O)c4cccc(B(O)O)c4)C3)n2)CCCN1 1843013386 CSKBEMHQMQDAGU-UHFFFAOYSA-N 477.330 -0.782 50 20 JBGD O=C1COc2ccc(S(=O)(=O)NNC(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)cc2N1 14849743 AMIAHYADKVTZLL-UHFFFAOYSA-N 496.523 -0.338 50 20 JBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 920297586 JYAXIYGYULVBGK-ZDUSSCGKSA-N 454.530 -0.136 50 20 JBGD C[C@H](NC(=O)c1cnccn1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2 1779471537 JGYSTAUGAYEJOI-LZBHBKQYSA-N 495.345 -0.898 50 20 JBGD C=CC(=O)N[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)CN(C)NC(=O)NCc3ccccc3)C2)C1 1780967893 BJHRHPXVXYAHRT-KOSHJBKYSA-N 486.573 -0.147 50 20 JBGD CN(CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H]1CNC(=O)C1)CCO2)NC(=O)NCc1ccccc1 1780969333 WUEMVMNQGOOSNA-WZONZLPQSA-N 472.546 -0.701 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc([N+](=O)[O-])c2c1OCO2 1798627508 KNOWDZSDZDEZAA-DPIQGUFMSA-N 498.452 -0.161 50 20 JBGD COC[C@H](NC(C)=O)C(=O)NC[C@@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1810566802 SVXBUDNSHVIDGK-VDGAXYAQSA-N 483.529 -0.449 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H](CNC(=O)c2nccnc2C(N)=O)[C@H]1c1cccnc1 1811187486 OWGWAVKBRGYWBU-AUUYWEPGSA-N 489.496 -0.398 50 20 JBGD O=C1C[C@H](C(=O)NC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)CCN1 1813134193 WTAOBMFGBRXWEI-FYINFDKHSA-N 450.304 -0.393 50 20 JBGD CCS(=O)(=O)N[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1 1817474419 RDYAAOUDACNDHI-CXAGYDPISA-N 477.352 -0.277 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H](O)N2CCOCC2)CC1 1828924327 PTGVFODBZWCOJC-XXBNENTESA-N 474.562 -0.431 50 20 JBGD C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1)n1ccnc1 1830979946 HGTNEYJGDYNRAS-YCRPNKLZSA-N 457.491 -0.787 50 20 JBGD O=C(C[C@@H]1COc2ccccc2O1)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1831228805 LGDFJOOYLFYEDD-NLFFAJNJSA-N 496.325 -0.334 50 20 JBGD C[C@@](O)(C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1)C(F)(F)F 1832161043 UBZVNPXUEBSCKL-MSOLQXFVSA-N 475.424 -0.932 50 20 JBGD CC(C)c1nc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)no1 1832788798 GTJCVISAMWFFBL-QFIPXVFZSA-N 487.517 -0.496 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(=O)n1C)CCO2 1833871688 JZGWVNYAVQKICD-AJPHYDNBSA-N 484.513 -0.411 50 20 JBGD O=C(CCN1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835929614 YNLNEDRBEFNJML-HSZRJFAPSA-N 459.352 -0.688 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)c3cccc(F)c3[N+](=O)[O-])C2)C1 1835931754 BSZWNCLSHMYSQF-JOCHJYFZSA-N 487.249 -0.203 50 20 JBGD CC(=O)Nc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)ccn1 1835936924 JZBMRPXEFHNQTD-HSZRJFAPSA-N 482.302 -0.896 50 20 JBGD CC(=O)N1CCN(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)Br)C3)C2)CC1 1836768626 HKTRCTYHVROKMU-KXBFYZLASA-N 475.384 -0.610 50 20 JBGD COC(=O)C12CC(C(=O)N3CCOC[C@@]4(CN(C(=O)c5cnccc5C(=O)NN)CCO4)C3)(C1)C2 1837460757 JYEQNQJQSGDDMJ-XPPIMPSXSA-N 487.513 -0.902 50 20 JBGD CCS(=O)(=O)N[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1 1837710356 XFHXLJVVBNRHCB-MAUKXSAKSA-N 465.645 -0.378 50 20 JBGD CCn1cnc2c1c(=O)n(CC(=O)NNC(=O)C(C)(C)NC(=O)OC)c(=O)n2Cc1ccccc1 729310394 IVWMMDXENLTBQY-UHFFFAOYSA-N 485.501 -0.290 50 20 JBGD CN(C)S(=O)(=O)c1ccc(C(=O)NNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)o1 914846196 BLEFRNNLCXVLLE-UHFFFAOYSA-N 450.882 -0.095 50 20 JBGD CN(CC(=O)N1CC[C@@]2(CN(C(=O)CCc3nc(N)n[nH]3)CCO2)C1)NC(=O)NCc1ccccc1 1780967909 CICOSUKOOXKXJE-QHCPKHFHSA-N 499.576 -0.504 50 20 JBGD CN(CC(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)NC(=O)NCc1ccccc1 1780968987 RQWYVKUITCZIFQ-QFIPXVFZSA-N 457.487 -0.750 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@@]34C(=O)Nc3ccccc34)C2)C1 1783543758 YHIRMDPXLPWYJN-LQGLAIQGSA-N 475.310 -0.280 50 20 JBGD COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1783851329 MJFCTXZNTSLOAF-YCRNBWNJSA-N 456.304 -0.435 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@@]2(CCN(C(=O)CCS(C)(=O)=O)C2)C1 1784744925 ZNSFPPHPLAIDBQ-KNGGAZFVSA-N 453.521 -0.615 50 20 JBGD Cn1c(=O)c2c(CC(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)[C@H](O)CCl)C[C@@H]43)csc2n(C)c1=O 1789702664 YLZOVWLUWXPOTH-MHEUCROKSA-N 498.989 -0.579 50 20 JBGD CC(=O)N[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1)c1ccc(F)cc1 1795734975 DDIHYZAVXRECOY-UDKICSLYSA-N 483.305 -0.414 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc2n(n1)CCCNC2=O 1797323127 ICWRRXYLEFIYBG-RVQRMFQJSA-N 496.528 -0.646 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1cn2cc(F)ccc2n1 1797427337 GRNDSOKZWRZVTM-YVWYUNDQSA-N 452.251 -0.330 50 20 JBGD CC(=O)Nc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)o1 1797747534 YADOZHKEHOWOPU-IVWMJMPLSA-N 456.459 -0.247 50 20 JBGD COCCOCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN(C)NC(=O)NCc1ccccc1 1799094772 JZVNUGFVEDJMQG-HATOLVCRSA-N 477.562 -0.415 50 20 JBGD CC(=O)NCCC(=O)NC[C@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1812661733 KCYTWADICBZRHO-UZLBHIALSA-N 453.503 -0.074 50 20 JBGD CN1CCN(CC(=O)N2CC[C@H](CNC(=O)CCC(=O)NN(C)C)[C@@H]2c2cccnc2)CC1 1813069737 BWTRFQGTOFICJO-XXBNENTESA-N 459.595 -0.292 50 20 JBGD Cc1cn(CC(=O)N2CC[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2c2cccnc2)c(=O)nc1O 1813073035 FKCPMZYWAAIDLB-LAUBAEHRSA-N 485.545 -0.269 50 20 JBGD O=C(N[C@H]1CCc2nc(NC(=O)c3cc(=O)nc4cccnn34)sc2C1)c1ccc(B(O)O)cc1 1821264344 JHZQGDSXCMUEIB-AWEZNQCLSA-N 490.310 -0.235 50 20 JBGD CC(C)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(=O)n4[nH]cnc4n3)C2)C1 1830357956 NTMWNTLLBAXCIL-LJQANCHMSA-N 452.899 -0.247 50 20 JBGD Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)on1 1832569198 YERAWXURGRFHLB-OAQYLSRUSA-N 458.475 -0.706 50 20 JBGD Cc1nnc(CC(=O)NC2CCN(C3CCN(C(=O)c4cccc(B(O)O)c4)CC3)CC2)o1 1834832146 SPJOKZFXYIYHOX-UHFFFAOYSA-N 455.324 -0.514 50 20 JBGD Cc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)nn1C(F)F 1835931280 KYCPTRZOVTXDED-OAQYLSRUSA-N 478.261 -0.350 50 20 JBGD C[C@@H](Nc1cccnc1)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835935786 QYWHKZUFOVZRPU-UZUQRXQVSA-N 468.319 -0.668 50 20 JBGD O=C1Cc2cc(C(=O)N3CCO[C@@]4(COCCN(C(=O)c5ccc(B(O)O)cc5)C4)C3)ccc2N1 1836787217 MZHATJKMOOSKEO-XMMPIXPASA-N 479.298 -0.755 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3c[nH]c(=O)cn3)CCO2)C1 1838633731 KXUMPCXKJJTNJF-QKKBWIMNSA-N 499.952 -0.028 50 20 JBGD C[C@](Cl)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nccnc3C(N)=O)C2)C1 1839153206 DBEYKPSPVNUXDN-ROUUACIJSA-N 460.318 -0.118 50 20 JBGD COc1ccc(CC(=O)N2CCOC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)cc1O 1840182645 IJGCUEUWTSXSCA-HSZRJFAPSA-N 478.546 -0.227 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(c3)NC(=O)CO4)C2)C1 1840184491 QETFKSAZCCJITR-HSZRJFAPSA-N 489.529 -0.540 50 20 JBGD CN(CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2)NC(=O)NCc1ccccc1 1780969426 LSZHTTZMZAUYCV-UWJYYQICSA-N 467.954 -0.238 50 20 JBGD Cc1ccc(=O)n(C(C)(C)C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cnccc4C(=O)NN)[C@H]3C2)n1 1788611322 USPNAVGRJTYKQH-SNRMKQJTSA-N 497.556 -0.421 50 20 JBGD COc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CN(C)NC(=O)NCc2ccccc2)C3)n(C)n1 1794344525 FKFIAGIATWPYKK-OPMZPASUSA-N 499.572 -0.022 50 20 JBGD CS(=O)(=O)c1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc(B(O)O)c2)nc1 1796190814 OEKLQCBUMRHEMP-BJWYYQGGSA-N 457.317 -0.270 50 20 JBGD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1)c1n[nH]c2c1CS(=O)(=O)C2 1817682932 ZRLCWOAMHGELCE-QGZVFWFLSA-N 498.330 -0.139 50 20 JBGD CC(=O)OC[C@H](OC(C)=O)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1819854451 AZXFEEINPSMDSU-WBVHZDCISA-N 489.315 -0.457 50 20 JBGD O=C(COc1ccc(O)nn1)Nc1nc2c(s1)C[C@@H](NC(=O)c1cccc(B(O)O)c1)CC2 1824557981 XFJIFNNFEZQRCL-ZDUSSCGKSA-N 469.288 -0.377 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(=O)n3[nH]nnc3n2)CC1 1827401491 POQCKVQOUMCQAM-INIZCTEOSA-N 473.538 -0.581 50 20 JBGD COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)cc1O 1830248872 YPLUKRZKDPDAMP-XMMPIXPASA-N 499.524 -0.288 50 20 JBGD O=C(Cn1cc([N+](=O)[O-])cn1)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1832799815 DFPVNIKTYFHOTR-UKRRQHHQSA-N 464.248 -0.062 50 20 JBGD CN1CCN(CCC(=O)NC2CCN(C3CCN(C(=O)c4cccc(B(O)O)c4)CC3)CC2)CC1 1834623083 DGDNLUBXGLFQOC-UHFFFAOYSA-N 485.438 -0.811 50 20 JBGD CN1CCN(CCC(=O)NC2CCN(C3CCN(C(=O)CCC(=O)NN(C)C)CC3)CC2)CC1 1834623459 UODYGPULTWANPB-UHFFFAOYSA-N 479.670 -0.432 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)c3cc(C(=O)O)ncn3)CC2)CC1)c1cccc(B(O)O)c1 1834800197 YRANNZXHXWCCGW-UHFFFAOYSA-N 481.318 -0.646 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1)c1nc2ncccn2n1 1835350179 CKNVZBUSSKNCJX-UHFFFAOYSA-N 477.334 -0.697 50 20 JBGD CC(C)N[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1)C(C)C 1835893739 CQCSXAUOXCNINL-REWPJTCUSA-N 461.368 -0.541 50 20 JBGD Cn1cc2cc(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)c3ccc(B(O)O)cc3)CCO4)ccc2n1 1835932259 WTHVJYVDTSCLHF-XMMPIXPASA-N 478.314 -0.363 50 20 JBGD C[C@@](Cl)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837459807 NEAPEKXQLVOSIQ-RTBURBONSA-N 474.345 -0.009 50 20 JBGD CC(C)n1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)n1 1837460149 WHACNTNHXLNTBH-QFIPXVFZSA-N 471.518 -0.154 50 20 JBGD COCc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)c1 1838517013 YLVMHSBSKMGWQA-JOCHJYFZSA-N 457.292 -0.775 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)c1ccnc3ncccc13)CCO2 1839541874 ORLKJZBELRXMJL-DEOSSOPVSA-N 476.298 -0.307 50 20 JBGD CCOC(=O)c1cc(C(=O)N2CCOC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)ccn1 1840185904 VNSVOSFMUWORSN-QHCPKHFHSA-N 491.545 -0.299 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](Cc1ccc(B(O)O)cc1)C(=O)N1CC2(CCCN2C(=O)c2nc[nH]n2)C1 1843189317 ZUTMATAQWYKDRS-KRWDZBQOSA-N 498.349 -0.563 50 20 JBGD CN(CC(=O)N1CCCC12CN(C(=O)[C@H](O)N1CCOCC1)C2)NC(=O)NCc1ccccc1 1845038906 GYUDJRCEPGBWSI-FQEVSTJZSA-N 474.562 -0.813 50 20 JBGD CC(C)(C)OC(=O)NCCOCC(=O)N1CCCC12CN(C(=O)c1cccc(B(O)O)c1)C2 1845154090 VJRCEKYCVWCLQB-UHFFFAOYSA-N 461.324 -0.275 50 20 JBGD O=C(NNC(=O)c1cccc(CN2CCS(=O)(=O)CC2)c1)c1ccc(-n2cnnn2)cc1 751293723 BYQLXSVYMSAHOA-UHFFFAOYSA-N 455.500 -0.033 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)c3cnn4cccnc34)C2)C1 1778447123 ZJSHJPTULJOSTR-NRFANRHFSA-N 450.459 -0.515 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCN2CCOC2=O)C1 1778783976 PQUBRBWDXHFMTP-IIBYNOLFSA-N 453.540 -0.284 50 20 JBGD CC(=O)N[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1)c1ccc(F)cc1 1786981763 KHGHBQBQQVDQQN-QGQQZZQASA-N 497.332 -0.024 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)ncn3)C[C@@H]21 1787506665 KQNCDHSZPPRNGW-XEDDXIFXSA-N 455.475 -0.091 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(N)=O)C[C@@H]21 1789222382 NLGKTLLERUUSSI-NUTKFTJISA-N 463.447 -0.218 50 20 JBGD C[C@@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCS(=O)(=O)CC3)C[C@@H]21 1791055312 SXCIVFQRUNCOJZ-QPSCCSFWSA-N 466.398 -0.520 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C[C@@H]21 1791287953 HKJPKGWZHJRPPG-BPUTZDHNSA-N 451.484 -0.856 50 20 JBGD CC[C@@H](NC(N)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN(C)NC(=O)NCc1ccccc1)C2 1796321667 JMCZITRDUKCBNP-AJYBTWMASA-N 489.577 -0.631 50 20 JBGD CN1C(=O)CC[C@H]1C(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807366875 PNENQYVOWKSURI-CUWPLCDZSA-N 450.304 -0.298 50 20 JBGD O=C(NC[C@H]1CCN(C(=O)COc2cccnn2)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807376474 ZSXBIEVGPAWSMX-XMSQKQJNSA-N 461.287 -0.050 50 20 JBGD O=C(CNC(=O)C(F)(F)F)N1CCC2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)CC1 1809979907 FBPKUNOOZMHROG-UHFFFAOYSA-N 455.242 -0.110 50 20 JBGD C[C@H](NC(=O)c1cnccn1)C(=O)N[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815344060 DWWMBYSDCFKODY-SWLSCSKDSA-N 494.342 -0.343 50 20 JBGD O=C(Cn1ccccc1=O)N[C@@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815354618 MLTLNNAKXFBCFZ-OAHLLOKOSA-N 452.301 -0.089 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)c1ccccc1)CCO2 1835289919 PNGKIPJAXHIDIF-CVDCTZTESA-N 469.498 -0.511 50 20 JBGD Cc1cccc(/C=C/C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)n1 1835925937 BIDPRRVGQBQBHQ-GTCGAKFVSA-N 465.315 -0.147 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3ON=C(c4ccccc4)O3)C2)C1 1835930222 CVVVERWKYIERCZ-ZEQRLZLVSA-N 495.297 -0.829 50 20 JBGD Cc1cc(C)n(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)n1 1835934492 VVCPVKFFXGGXJH-HSZRJFAPSA-N 470.335 -0.660 50 20 JBGD COc1ncc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)cc1C 1835935318 OKXCQYKOJXWJBC-HSZRJFAPSA-N 469.303 -0.538 50 20 JBGD O=C1COc2ccc(C(=O)N3CCO[C@@]4(COCCN(C(=O)[C@@H](O)CCl)C4)C3)cc2N1 1836988865 GJYQFTLLEPTRRN-YWZLYKJASA-N 453.879 -0.313 50 20 JBGD CCOC(=O)N[C@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1837209537 SLMBOFVEVVPNKD-FIXISWKDSA-N 456.265 -0.802 50 20 JBGD O=C1C[C@@H](C(=O)N2CCC(OC3CCN(C(=O)c4cccc(B(O)O)c4)CC3)CC2)CCN1 1837921577 QCIKTDWBBTXMDZ-KRWDZBQOSA-N 457.336 -0.495 50 20 JBGD O=C([C@@H](O)CCl)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1C[C@@]13C(=O)Nc1ccccc13)CCO2 1840035723 CAIYMEKYVLXVJY-FVFSHSICSA-N 463.918 -0.048 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC2(CCCN2C(=O)c2cccnc2CS(C)(=O)=O)C1 1842241326 INSOZUQFCPYUNS-UHFFFAOYSA-N 451.549 -0.184 50 20 JBGD CCCCn1c(=O)[nH]c(=O)c2c1nc(CCC(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1)n2CC(C)C 15639614 YWMJJPZIIWYFIX-CQSZACIVSA-N 496.590 -0.143 50 20 JBGD Cn1nc(SCC(=O)NN/C=C2/C(=O)N(c3ccccn3)C(=O)c3ccccc32)c(=O)n(C)c1=O 28807191 UZZXKZAANYVRCQ-RVDMUPIBSA-N 493.505 -0.185 50 20 JBGD CC(=O)c1ccc(S(=O)(=O)NCC(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1 781236980 ZIRPOFGQENMXGF-GOSISDBHSA-N 491.478 -0.302 50 20 JBGD NC(=O)CC[C@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)N1CC[C@H](B(O)O)C1 864230995 IIDQMEIONVIVDS-AAEUAGOBSA-N 451.232 -0.307 50 20 JBGD CSCC[C@H](NS(=O)(=O)c1ccccc1)C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 919885597 MXZKWZZPVBSBHM-JSGCOSHPSA-N 464.591 -0.396 50 20 JBGD CCOc1ccc(C(=O)N2CC[C@@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)nn1 1780425741 DORSQKNDZRFXLD-OAQYLSRUSA-N 455.475 -0.369 50 20 JBGD CC(C)(C)OC(=O)N[C@H](CCO)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]2C1 1784083937 IGIXZKHNAQWIOP-RBZJEDDUSA-N 463.959 -0.159 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1ccc2c(c1)CNC2=O 1788442676 MIIPPJYAXUDGCQ-NDXORKPFSA-N 463.299 -0.483 50 20 JBGD C[C@H](Nc1cnccn1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21 1788627489 FTIWUJZRVQJITN-USJZOSNVSA-N 468.518 -0.431 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]cc1I)C2)[C@H](O)CCl 1792981287 STTDWGLKQOXVDD-JZSSXWJLSA-N 468.679 -0.183 50 20 JBGD COC(=O)N[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1)c1ccccc1 1795732681 KYMPNQQXALMCFN-KOUHRCEDSA-N 481.314 -0.333 50 20 JBGD CCS(=O)(=O)N[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827055565 DACGMVHFLYJHES-OXJNMPFZSA-N 479.408 -0.073 50 20 JBGD CC(=O)OC[C@H](OC(C)=O)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)CBr)CCO2 1830540162 PEABTJCFTJXPFI-IYJAJMOOSA-N 493.351 -0.031 50 20 JBGD COC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830728851 YSDIZTLUSKGMGM-AVYPCKFXSA-N 479.958 -0.418 50 20 JBGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](CCO)NC(=O)OC(C)(C)C)CCO2 1830885884 MPLOUGAYFGPTRD-QYWGDWMGSA-N 493.985 -0.028 50 20 JBGD O=C(CCBr)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835929487 QXTMQWMSKCJEFV-SFHVURJKSA-N 455.114 -0.779 50 20 JBGD O=C(C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2)c1ccccc1 1835935689 MIIRATRZIIYCSK-HSZRJFAPSA-N 452.272 -0.681 50 20 JBGD CCc1ccnc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)c1 1835936001 ZSVGRPMNEMLFPJ-HSZRJFAPSA-N 453.304 -0.292 50 20 JBGD Nc1ccccc1/C=C/C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835936003 ZSXCMUNSOBAEFR-HCXLOTKHSA-N 465.315 -0.268 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc4nncn4c3)CCO2)C1 1837016438 WZYNLKFBPFXGTH-JOCHJYFZSA-N 480.485 -0.888 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3Cc4ccccc4CN3)C2)C1 1837457812 RYLUEVVZEHBODG-SQJMNOBHSA-N 494.552 -0.530 50 20 JBGD COC[C@H](Cl)C(=O)N1CCC(OC2CCN(C(=O)CNCP(=O)(O)O)CC2)CC1 1837836241 MYNKGGNIYJFNOQ-HNNXBMFYSA-N 455.876 -0.036 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(-n3cccn3)nc1)CCO2 1838118076 YTEMVAMABKGZKI-DEOSSOPVSA-N 491.313 -0.669 50 20 JBGD O=C(c1cc(=O)nc2cccnn12)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1838501468 GSTBQBQGJUPCAJ-MAUKXSAKSA-N 484.282 -0.150 50 20 JBGD Cc1n[nH]c(C)c1CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1839240317 VKHNCEJUXZZJME-QFIPXVFZSA-N 456.308 -0.981 50 20 JBGD Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)nc2nccn12 1839548964 MSDHULNZLZTJEP-HSZRJFAPSA-N 494.512 -0.580 50 20 JBGD Cc1nn2cc(CC(=O)N3CCOC[C@]4(CN(C(=O)CCC(=O)NN(C)C)CCO4)C3)nc2s1 1840182522 LPJLNYDDJZMVNJ-NRFANRHFSA-N 493.590 -0.529 50 20 JBGD C[C@@H](NC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1)[C@@H](C)N1CCOCC1 729623653 NWESBFOOIRUNBL-HZPDHXFCSA-N 455.585 -0.247 50 20 JBGD COc1cc(N2C[C@@H](C(=O)NNC(=O)[C@H]3CCS(=O)(=O)C3)CC2=O)cc(OC)c1OC 914445033 LCITXXODZOBGTQ-RYUDHWBXSA-N 455.489 -0.353 50 20 JBGD Cn1cnc2c1c(=O)n(CC(=O)NNC(=O)c1ccc(F)cc1Br)c(=O)n2C 918339408 MUEWAGCJEMUTIX-UHFFFAOYSA-N 453.228 -0.204 50 20 JBGD CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)N([C@@H]3CCS(=O)(=O)C3)N(C)C)cc2)CC1 1321718740 RDLPNWOFNPQINY-QGZVFWFLSA-N 472.589 -0.355 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)Cn3c(=O)n(C)c4ccccc43)C2)C1 1778165552 AIVRAQGNLCQDER-QHCPKHFHSA-N 472.546 -0.457 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)C(F)(F)C(F)(F)C(=O)O)CCO2 1783933504 MKJRPKWSMHYYIS-OAHLLOKOSA-N 456.393 -0.456 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc4c(c3)CNC4=O)C[C@@H]21 1788611009 FPIHDOWFEJFCSL-GKCIPKSASA-N 478.509 -0.164 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(F)c1[N+](=O)[O-])C2)c1cccc(B(O)O)c1 1795739749 IYVOAOIKDJRIOE-ZSBFGKGUSA-N 457.223 -0.069 50 20 JBGD O=C(CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)Nc1ccc(F)cc1 1799033857 LCMSLAXZAMNBBS-MFKICJERSA-N 469.278 -0.263 50 20 JBGD CC(=O)NC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807361718 XASDTDPECCSUOB-UYAOXDASSA-N 452.320 -0.004 50 20 JBGD CS(=O)(=O)N1CCC(C(=O)N2CCC3(CCCN(C(=O)c4cccc(B(O)O)c4)C3)CC2)CC1 1809978834 WGJVNTUMHYEBPT-UHFFFAOYSA-N 491.419 -0.117 50 20 JBGD CNC(=S)NCCC(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1810305156 ARAVXVYULDWLPI-FXAWDEMLSA-N 469.376 -0.435 50 20 JBGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1cnncc1C(=O)O)CC2)c1ccc(B(O)O)cc1 1815344088 GYLHALMCVHQYBW-GFCCVEGCSA-N 467.272 -0.149 50 20 JBGD O=C(Nc1cc([C@H]2CCCCN2C(=O)CS(=O)(=O)N2CCCC2)[nH]n1)c1ccc(B(O)O)cc1 1817471926 WZRMCVZRLIBTNZ-GOSISDBHSA-N 489.363 -0.179 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)C(C)(C)C)CCO2 1830622615 HUBSSTHXXQONFW-QHMZKRCRSA-N 463.535 -0.016 50 20 JBGD O=C([C@@H]1[C@@H](O)CCN1Cc1ccccc1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830736054 QQZUUFAVAHUCMH-MXBUBSDBSA-N 481.977 -0.322 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cnccn3)CCO2)C1 1830963558 RPXMCMYTUBAWOW-SYOQMXFQSA-N 469.502 -0.391 50 20 JBGD Cn1ccnc1C(=O)NC1CCN(C2CCN(C(=O)c3cnccc3C(=O)NN)CC2)CC1 1834270248 XUPBVBCJQXSECU-UHFFFAOYSA-N 454.535 -0.082 50 20 JBGD CN(CC(=O)N1CCC(N2CCC(NC(=O)CO[Si](C)(C)C)CC2)CC1)C(=O)C(=O)O 1835837967 WHRXFVGQXFJPOP-UHFFFAOYSA-N 456.616 -0.048 50 20 JBGD C[C@@H]1CCc2c(C(=O)N3CCOC[C@]4(CN(C(=O)c5cccc(B(O)O)c5)CCO4)C3)n[nH]c21 1835936908 JIXDTUUUCVYUDV-CMJOXMDJSA-N 468.319 -0.477 50 20 JBGD O=C(Cn1cc([N+](=O)[O-])cn1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839198555 HZKUTTCVEDHHMG-ZFWWWQNUSA-N 464.248 -0.062 50 20 JBGD C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](F)Br)CCO2)C1)[C@@H]1SC(=N)NC1=O 1839201453 XZCLNLGAFDNBAI-ZSYFIWHWSA-N 481.344 -0.064 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccccc1-n1nccn1)CCO2 1839381189 FOUJZDAWTMJCAW-HSZRJFAPSA-N 485.545 -0.290 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc3nn[nH]c3c1)CCO2 1839628933 RVJUHWQNWQWWDU-QFIPXVFZSA-N 465.275 -0.979 50 20 JBGD Cc1nccn1[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1840491667 ZEGYQVDGMRYKPR-AOMKIAJQSA-N 456.308 -0.797 50 20 JBGD O=C(c1ccc(N2C(=O)C=CC2=O)cc1)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843012627 ITKCNRAPLHVKAD-UHFFFAOYSA-N 459.267 -0.073 50 20 JBGD CC(=O)N1CCN(CC(=O)N2CC3(CCCN3C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C2)CC1 1843416315 VWFIJWDZWBYBOE-LFVJCYFKSA-N 457.535 -0.512 50 20 JBGD COc1cc2c(cc1OC)[C@H](CC(=O)NNC(=O)NCCN1CCOCC1)N(S(C)(=O)=O)CC2 915884954 VODDTVZTQMQMPG-KRWDZBQOSA-N 499.590 -0.385 50 20 JBGD CCOC(=O)N[C@H](O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C(C)=N/NC(=O)c1ccc[nH]1)C2 1779199313 NQDXQVRYTOCGSD-UIZXBGEXSA-N 492.533 -0.301 50 20 JBGD COCCOCCOCCOCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]2C1 1784092541 JXDFDCVUAOFMDE-VJANTYMQSA-N 480.986 -0.348 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3CCc4nc[nH]c4C3)C2)C1 1784352417 SKCSBDUXPUGOMB-JLCFBVMHSA-N 453.503 -0.343 50 20 JBGD CN(CC(=O)N1CCO[C@@]2(CCN(C(=O)CCS(C)(=O)=O)C2)C1)NC(=O)NCc1ccccc1 1784747072 PTJVVWIQRHLKFL-JOCHJYFZSA-N 495.602 -0.403 50 20 JBGD CN(CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CCC(=O)N3)[C@H]2C1)NC(=O)NCc1ccccc1 1786572587 YRNUMKBWEFPKJL-MUGJNUQGSA-N 486.573 -0.409 50 20 JBGD O=C(Nc1ccc(C2(NC(=O)[C@H](O)N3CCOCC3)CCC2)cc1)c1cccc(B(O)O)c1 1788145618 IKZJIDBUYWLJBF-QFIPXVFZSA-N 453.304 -0.235 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCSCC1 1792464271 JRRFLLAGJNKTNK-GWGBFROSSA-N 462.576 -0.241 50 20 JBGD CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795736830 KCDZWJHXMPLOHO-NBMJBFSESA-N 475.351 -0.127 50 20 JBGD CC(C)(C)OC(=O)NCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1802121118 ZDNBASSJETYHOU-XEMDLRDOSA-N 475.351 -0.126 50 20 JBGD CN(C)C(=O)NCC(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807360264 PVIJDCWICAYKRP-XLIONFOSSA-N 453.308 -0.648 50 20 JBGD O=C(NC[C@H]1CCN(C(=O)CN2CCOC2=O)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807363445 DTXROLHFQCVMII-XLIONFOSSA-N 452.276 -0.467 50 20 JBGD NC(=O)c1nccnc1C(=O)N1CCC2(CCCN(C(=O)c3ccc(B(O)O)cc3)C2)CC1 1809971266 PFCWUTNKSKJQOV-UHFFFAOYSA-N 451.292 -0.586 50 20 JBGD CC(=O)OC[C@H](OC(C)=O)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1810335305 DTEGSNMSMOIBFK-BVSLBCMMSA-N 497.313 -0.424 50 20 JBGD C[C@H](C(=O)NC[C@@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1)n1cnnn1 1813471495 ZQWHDQTZRUYPNJ-QIIPPGSGSA-N 464.490 -0.353 50 20 JBGD C[C@H](NNc1ccccc1)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1829806143 BLSKTQYNSKXIIH-MHECFPHRSA-N 482.346 -0.558 50 20 JBGD CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C(=O)N2CCOC[C@]3(CN(C(=O)[C@H](O)CCl)CCO3)C2)C1 1830733473 NCTHYFDMMTWGCO-YUWJWYLASA-N 491.969 -0.730 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)CN2CC(=O)NC2=O)CC1 1831870463 CSIYIRGUYFCDPX-INIZCTEOSA-N 450.540 -0.469 50 20 JBGD CN(C)c1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)nc1 1833646929 ZNOMANDDFTXGJW-HSZRJFAPSA-N 468.319 -0.789 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ncn(C)n1)CCO2 1833880224 VHQYYGVSOWSDKT-RXULLKCLSA-N 458.479 -0.981 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCC(N2CCC(NC(=O)CC[C@@H](N)C(N)=O)CC2)CC1 1834733487 QEJRROUKZOQAPE-OVNWTWFZSA-N 488.593 -0.715 50 20 JBGD CC[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835932164 QZRFGRMIEZFVFJ-QFBILLFUSA-N 469.141 -0.390 50 20 JBGD Cc1nccn1CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835934576 ZQFNBMDDDGZMIL-HSZRJFAPSA-N 470.335 -0.578 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)c3nnsc3C3CC3)C2)C1 1835936935 KOFGQUTUKNLYFA-OAQYLSRUSA-N 472.332 -0.521 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CC(c4ccccc4)=NN3)C2)C1 1835938997 AHEBPOFOUMNCSJ-RDGATRHJSA-N 492.341 -0.797 50 20 JBGD N#CCc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)cc1 1835939402 PKWBVCACWHELBU-DEOSSOPVSA-N 463.299 -0.184 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccccc3C(N)=O)C2)C1 1837459506 GIZRJDPOXNHZQH-HSZRJFAPSA-N 482.497 -0.832 50 20 JBGD C[C@@H](Oc1cccnc1)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837460750 JTQIPDJZXFQDAB-WAIKUNEKSA-N 484.513 -0.382 50 20 JBGD C[C@H](Nc1ccccn1)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1837746450 BFGMIOHRSOKNCC-JTSKRJEESA-N 462.551 -0.289 50 20 JBGD CC(=O)N[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3cnccc3C(=O)NN)CC2)CC1 1838394808 ZINLYXQYUFPKPN-AWEZNQCLSA-N 460.535 -0.178 50 20 JBGD CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1839227064 IXACWUZYOQVDGX-BTYIYWSLSA-N 462.507 -0.444 50 20 JBGD CCOC(=O)O[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1839683798 MMWMNCCXJGWLTA-SPLOXXLWSA-N 479.490 -0.683 50 20 JBGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)n3nc(C)ccc3=O)C2)C1 1840153494 PUBZQIVIPQGFIF-IERDGZPVSA-N 470.954 -0.003 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1840185448 QPCLEFQHHXCCGO-ZBFHGGJFSA-N 453.309 -0.494 50 20 JBGD COc1cc(N2CCC(C(=O)N3CC[C@H]4[C@@H]3CCN4C(=O)c3cccc(B(O)O)c3)CC2)ncn1 1847668412 NRZAOLMEYFGXLF-PMACEKPBSA-N 479.346 -0.103 50 20 JBGD Cn1nc(Br)c2c(=O)n(CC(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)cnc21 727098727 QHEVIPBFCMMFSC-UHFFFAOYSA-N 473.251 -0.671 50 20 JBGD CCC1(CC)NC(=O)N(CC(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)C1=O 913500003 ANXUONXXFRXOMT-UHFFFAOYSA-N 453.521 -0.126 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)c3cnc4[nH]ncc4c3)CCO2)C1 1779032558 TXELBNFLJIIVSG-OAQYLSRUSA-N 450.459 -0.286 50 20 JBGD O=C(/C=C\C(=O)NC1CC1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2 1779227441 GDMGIDXMSZXXBX-AADRGNLSSA-N 455.320 -0.671 50 20 JBGD O=C(Cc1ccc2c(c1)CCO2)N1CC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1783417280 GCJYTPFTUXLZSE-XMMPIXPASA-N 450.300 -0.013 50 20 JBGD Cc1ccc(C(=O)NCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)cc1 1786982358 ZOYDFIICZAZTKZ-BVSLBCMMSA-N 479.342 -0.302 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nccc4nc[nH]c34)C[C@@H]21 1788610416 QQKWEMDVHFGFHH-NUTKFTJISA-N 464.486 -0.137 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)N3CCCC3)C[C@@H]21 1788611631 NNTMQJDNSNIPOA-SNRMKQJTSA-N 472.546 -0.319 50 20 JBGD COc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)cc1O 1792729225 BKWNPWCGJOLXDT-FAQVEIGNSA-N 454.288 -0.474 50 20 JBGD COC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795739053 SLPZDGKIPMDJHX-NBMJBFSESA-N 491.350 -0.891 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccn3c(O)nnc13)C2 1796440697 YMVJOFCEMIBRMV-LVTGYEAHSA-N 480.485 -0.228 50 20 JBGD C[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2)N1CSCSC1 1797843386 KKRJFUDBWWBMFU-ZJOBFFGXSA-N 480.616 -0.069 50 20 JBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C/C(=O)NCc1ccco1 1797893232 IYIJESIYCYPYTE-OUALTBDCSA-N 461.519 -0.585 50 20 JBGD Cc1cc(O)c([N+](=O)[O-])cc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1799828814 CLECYMMYAGLWIR-YVWYUNDQSA-N 469.259 -0.194 50 20 JBGD CC(=O)OC[C@H](OC(C)=O)C(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807373548 BNWYSQZAYJEQSK-BVSLBCMMSA-N 497.313 -0.424 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H](CNC(=O)[C@H]2CNC(=O)C2)[C@H]1c1cccnc1 1812639379 LKMJBXSGOJMVGP-SPYBWZPUSA-N 451.487 -0.464 50 20 JBGD C=CCNC(=O)/C=C\C(=O)N[C@@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815347649 IXGLGUIYNWYGHS-WHLNPGIBSA-N 454.317 -0.093 50 20 JBGD COc1ccccc1C(=O)N1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)C1 1830425224 DLFGVGBPNUIASY-MBSDFSHPSA-N 495.960 -0.177 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CC(c3ccccc3)=NO1)CCO2 1831254830 MYFWJKYYDCCWKE-WIOPSUGQSA-N 493.325 -0.370 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC1CCN(C2CCN(C(=O)c3cccc(=O)n3O)CC2)CC1 1835737097 MWJHNWBXGUJPDA-UHFFFAOYSA-N 483.529 -0.417 50 20 JBGD O=C(c1ccc(-n2cccn2)nc1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835931414 RFWVLMANHNKREQ-DEOSSOPVSA-N 491.313 -0.669 50 20 JBGD COc1cc(F)ccc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835934187 OWIDKYRCCSMENY-HSZRJFAPSA-N 472.278 -0.102 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCC(OC2CCN(C(=O)CCN3C(=O)C=CC3=O)CC2)CC1 1836995988 BFEAAWNFFFSLSB-UHFFFAOYSA-N 477.562 -0.327 50 20 JBGD C[C@@H](NNc1ccccc1)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837456342 KYUXZJPBVIDXJL-MZNJEOGPSA-N 497.556 -0.240 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4cn[nH]c4cn3)C2)C1 1837459416 ONNOJBOXIYFXMM-JOCHJYFZSA-N 480.485 -0.660 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc[n+]([O-])cc1)CCO2 1838334904 QZFFUOIURNWJKE-OLCUMFGGSA-N 470.486 -0.476 50 20 JBGD CC(=O)N/C(=C\c1ccco1)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1839389116 WLVRNDARUKBCMV-HTDLJCGNSA-N 455.895 -0.187 50 20 JBGD COC(=O)c1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)cn1 1840184067 PRXOLAZMSTXOFH-QFIPXVFZSA-N 477.518 -0.689 50 20 JBGD COC(=O)c1sc(S(=O)(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)c(C(=O)OC)c1C 28810518 UCGLRDYIYJSZDO-QMMMGPOBSA-N 454.504 -0.626 50 20 JBGD CN(C)S(=O)(=O)c1ccc(C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)o1 914853748 BDACIOWGSVOUPM-AWEZNQCLSA-N 453.429 -0.326 50 20 JBGD O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 915188167 FIENWPYRNRLWFH-MJGOQNOKSA-N 477.587 -0.618 50 20 JBGD CN(CC(=O)N1CCO[C@]2(CCN(C(=O)C3=NNC(=O)C3)C2)C1)NC(=O)NCc1ccccc1 1778940636 VOUYXCOFNSZGCY-JOCHJYFZSA-N 471.518 -0.962 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1CCSCC1)C2 1779371541 BFKDJTLKZDHLRS-XMSQKQJNSA-N 476.603 -0.139 50 20 JBGD O=C(CN1CCS(=O)(=O)CC1)N1CCO[C@@]2(CCN(C(=O)[C@@H](F)Br)C2)C1 1781326729 RWVWVALAUZLARY-HIFRSBDPSA-N 456.334 -0.763 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@]2(CCN(C(=O)CSCC(=O)O)C2)C1 1783956281 MIXBTQWQNGJHFY-IOVUBPJKSA-N 451.505 -0.232 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCN3C(=O)C=CC3=O)[C@H]2C1 1784803347 ILFYIDVQTNKHSM-GZERKGCBSA-N 484.513 -0.585 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(=O)n4[nH]nnc4n3)C[C@@H]21)[C@H](F)Br 1789923159 VGKFDASLVQNRHJ-ZQCZZBHPSA-N 458.248 -0.904 50 20 JBGD CS(=O)(=O)c1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)c1 1792696533 OCNHOFQHCNNVBO-XEMDLRDOSA-N 472.328 -0.713 50 20 JBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CC(=O)CN1C(=O)OC(C)(C)C 1793088427 YNILHNTVLQDXAE-MQJTVSLUSA-N 495.577 -0.473 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(-n3ccnc3)ccn1)C2)c1ccc(B(O)O)cc1 1795735305 XHXGPZDITRUABF-UPHUGPLXSA-N 461.287 -0.536 50 20 JBGD CC(=O)N(C)[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN(C)NC(=O)NCc1ccccc1)C2 1796455951 LESOGVGXGUTNOO-ALOBAPJISA-N 488.589 -0.211 50 20 JBGD O=C(CNC(=O)c1cccnc1)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1804366775 PUBOFTZRXZDDED-XXBNENTESA-N 487.325 -0.094 50 20 JBGD O=C(NC[C@@H]1CCN(C(=O)CSc2nc[nH]n2)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807375868 VXBNZXOZSFNVTA-QFBILLFUSA-N 466.332 -0.009 50 20 JBGD Cc1ncccc1CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1832637760 TWIDYYYSJDUKRK-DEOSSOPVSA-N 467.331 -0.227 50 20 JBGD Cc1nc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)cs1 1832967563 UYCBIWFSTSXMGT-NRFANRHFSA-N 459.333 -0.556 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnc(C)nc1)CCO2 1833811632 WQLUQDAOSRWNSU-QVGKIPNLSA-N 469.502 -0.011 50 20 JBGD COC[C@@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)CN3CCN(C(C)=O)CC3)CC2)CC1 1835513360 XHPNTFMJYFZKRV-HXUWFJFHSA-N 472.030 -0.024 50 20 JBGD C[C@H](Nc1cccnc1)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1835695699 KIXVQMYZDGEUSS-JTSKRJEESA-N 462.551 -0.289 50 20 JBGD COc1cccc(OC)c1C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835931669 WXDDXBPGFHPEBF-DEOSSOPVSA-N 484.314 -0.233 50 20 JBGD Cn1ccc(=O)cc1C(=O)NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1836108958 VJJVPEZHLOZYHI-UHFFFAOYSA-N 466.347 -0.436 50 20 JBGD CNC(=S)NCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1837467102 XNOOKRMPVBQPCH-DOMZBBRYSA-N 455.350 -0.383 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(O)no1)CCO2 1838105260 GKMXVWMCDPAZLN-CCULFSDZSA-N 460.447 -0.416 50 20 JBGD C[C@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)c3nccnc3C(N)=O)CCO2)C1 1838324673 YIZJEKQCCISEHX-XIKOKIGWSA-N 470.324 -0.324 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)c1cc(O)ccc1F)CCO2 1839294926 RXZBPTYDVNQWGJ-QFIPXVFZSA-N 458.251 -0.405 50 20 JBGD COCCOCCOCCOCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1840190719 JXPDRJNAJYSCDK-IBGZPJMESA-N 487.377 -0.057 50 20 JBGD Cc1nccn1CCCC(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1840388809 MLSVTYNZXBWHJI-QFIPXVFZSA-N 464.567 -0.199 50 20 JBGD CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccccc1)C(=O)NNC(=O)[C@H]1COc2ccccc2O1 21191634 JQTMSYKPRRPIDA-MAUKXSAKSA-N 497.551 -0.244 50 20 JBGD CC(C)NS(=O)(=O)c1ccc(NNC(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)nc1 726710656 MAQYSXNISDDQQX-UHFFFAOYSA-N 491.578 -0.077 50 20 JBGD CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccccc1)C(=O)NNC(=O)[C@H]1Cc2ccccc2O1 748280669 UKJSQMBTOJBZCP-FUHWJXTLSA-N 481.552 -0.081 50 20 JBGD Cc1cn2c(=O)c(C(=O)N3CC[C@@]4(CN(C(=O)c5cnccc5C(=O)NN)CCO4)C3)cnc2s1 1777989086 ROJPKDQFLIOOOP-QFIPXVFZSA-N 497.537 -0.180 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)c3ccccc3C(N)=O)CCO2)C1 1779037133 PCNRXJXIAIEPRH-QFIPXVFZSA-N 452.471 -0.459 50 20 JBGD Cc1nc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CCC(=O)NN(C)C)C2)c(=O)[nH]c1C 1782209517 WTJCIOQNNANVCA-OPAMFIHVSA-N 462.551 -0.113 50 20 JBGD COC(=O)[C@@H](CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2)NC(=O)OC(C)(C)C 1783784627 ZGJFHDABTWWFRB-CKNLXJGOSA-N 477.942 -0.128 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(=O)nc4sccn34)[C@H]2C1 1789139397 JLUYVDJLQPIMIG-DZKIICNBSA-N 476.559 -0.278 50 20 JBGD CN(CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCn3cncn3)C[C@@H]21)NC(=O)NCc1ccccc1 1789726654 KIHMQCKOCHTQDZ-ACRUOGEOSA-N 498.588 -0.006 50 20 JBGD Cn1c(=O)c2c(CC(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)[C@@H](O)CCl)csc2n(C)c1=O 1792978751 OEMZFTALIXVEGL-ZWUHOBOKSA-N 484.962 -0.970 50 20 JBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CNC(=O)c1cccnc1 1794225454 XGDZAQZSVMRSOU-MUJYYYPQSA-N 451.487 -0.238 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)C1=NN(c2ccccc2)C(=O)C1 1796481427 ZCQXSQORNNCYQG-FAQVEIGNSA-N 476.298 -0.638 50 20 JBGD Cc1cc(C(N)=O)cc(C)c1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1797732935 QSDFFVKACLNXHF-RMFSNUHRSA-N 465.315 -0.401 50 20 JBGD CN(CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1ccccc1=O)C2)NC(=O)NCc1ccccc1 1799094634 ANWQWKBANOMZNC-IRJINJETSA-N 496.568 -0.216 50 20 JBGD CN1CC(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CN(C)NC(=O)NCc2ccccc2)C3)C1 1801558441 FOSDAQVEUIGNAM-CEQLMSFQSA-N 458.563 -0.516 50 20 JBGD CCC(=O)N[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1803429651 CZXWPCKWJDRJSH-FQELHTAISA-N 452.320 -0.004 50 20 JBGD C[C@H](CS(C)(=O)=O)C(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1803582492 JEFRORJBPIEYIJ-XFQXTVEOSA-N 473.360 -0.238 50 20 JBGD CCS(=O)(=O)CC(=O)N1CC[C@H](CNC(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1810293653 GFCPVAMEUBNOMP-BEFAXECRSA-N 474.543 -0.166 50 20 JBGD NC[C@H](N)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@H](O)CCl)C2)C1 1829045052 UJISMUVWFRBFKS-FVJLSDCUSA-N 467.954 -0.676 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(O)nn1)CCO2 1833830692 IFYFXQWWLPHOGG-KURUZVKSSA-N 471.474 -0.614 50 20 JBGD Cc1c(F)ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)c1N 1835935325 AWSLIIMSXCKQFX-HSZRJFAPSA-N 471.294 -0.220 50 20 JBGD Cc1cnn([C@@H](C)C(=O)N2CCOC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)c1 1835940166 XHTNOUJOOARIGR-HTAPYJJXSA-N 456.308 -0.797 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)N1C[C@H]3C[C@H]3C1)CCO2 1837284240 QRZWTBOHYSFESN-QVVQLEQWSA-N 486.573 -0.083 50 20 JBGD C[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1)n1ccnc1 1837456800 QEZRZJOOKUNIOL-YCRPNKLZSA-N 457.491 -0.787 50 20 JBGD CN(CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn(C)c3)C2)C1)NC(=O)NCc1ccccc1 1839054129 ILYGJZLEPXONQW-XMMPIXPASA-N 499.572 -0.164 50 20 JBGD CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1839387732 SEVZAKLQZDYHTA-JKDFXYPNSA-N 484.319 -0.024 50 20 JBGD CCOC(=O)c1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)cc1 1839444039 OVUHMJCMFSROMB-VWLOTQADSA-N 496.325 -0.073 50 20 JBGD C[C@H](Nc1ccccn1)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840184903 CBCPGAWEUJJLSH-HTAPYJJXSA-N 462.551 -0.289 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(=O)nc4sccn34)C2)C1 1840185622 QKPQFLDEKSNDPA-OAQYLSRUSA-N 492.558 -0.801 50 20 JBGD COc1cc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cnccc3C(=O)NN)C2)n(C)n1 1779371263 YHTDEFAPPUWLSG-VGOFRKELSA-N 471.518 -0.132 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CCc3nc(O)nc(O)c3C1)CCO2 1783933497 MEOVEIHYVDMSIG-PEBXRYMYSA-N 476.534 -0.804 50 20 JBGD CS(=O)(=O)N1CCC(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]3C2)CC1 1784092168 IGTIUJBSCWDMSB-JONQDZQNSA-N 451.973 -0.763 50 20 JBGD CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CC[C@]2(CN(C(=O)[C@H](F)Br)CCO2)C1 1784373564 PTZYJRZSAQJCFU-JKIFEVAISA-N 460.304 -0.023 50 20 JBGD CC(C)(C)OC(=O)NCCC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1785333645 BEZNHUQSHDISCE-QFIPXVFZSA-N 461.324 -0.275 50 20 JBGD O=C(Cc1ccc2c(c1)OCO2)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1786599975 DUARYKTTWWXPAU-JLMWRMLUSA-N 466.299 -0.069 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C[C@@H](N)c3cccnc3)[C@H]2C1 1786929648 HYGYKRFHMYOKMJ-QLIIJSOBSA-N 467.530 -0.237 50 20 JBGD CN(CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1)C(=O)c1ccccc1 1786978794 WSEOLECQPAUMBC-BVSLBCMMSA-N 479.342 -0.268 50 20 JBGD COc1cc(N2CCC(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)[C@H](O)CCl)C4)CC2)ncn1 1793132346 HZENDEASBGDNHC-YYAJDYIMSA-N 467.954 -0.109 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(N3CCOCC3)n1)C2)c1ccc(B(O)O)cc1 1795734325 MTDJNINNCZGOFL-OPMZPASUSA-N 480.330 -0.885 50 20 JBGD COC(=O)c1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)cc1 1795736658 CLTNQXUFPHRLNT-HATOLVCRSA-N 466.299 -0.401 50 20 JBGD COC(=O)c1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)c([N+](=O)[O-])c1 1795741209 NFLSWLLDIVASLU-CWPLJXCYSA-N 497.269 -0.422 50 20 JBGD C[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1)[S@](=O)c1ccccc1 1795741418 WJXAMXSSFHYWSR-FGOLEYRISA-N 470.356 -0.234 50 20 JBGD C[C@H](NC(=O)c1ccccn1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1 1796192974 GCXLVDUFQWOBSY-FZDIXFNVSA-N 450.304 -0.168 50 20 JBGD O=C1CSc2ncc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)c3cccc(B(O)O)c3)C4)cc2N1 1800038468 WUCHPBYBLJENRJ-CCWDJLKJSA-N 482.327 -0.677 50 20 JBGD CN(C)NC(=O)CCC(=O)N[C@@H]1CCc2nc(NC(=O)c3nccnc3C(N)=O)sc2C1 1821042440 HPLRTKRSJBWADC-SNVBAGLBSA-N 460.520 -0.369 50 20 JBGD CCOC(=O)N[C@@H](O)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCC(=O)NN(C)C)n[nH]1 1822416178 UCFAINNUWJWIRY-DYVFJYSZSA-N 453.500 -0.161 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)CNCP(=O)(O)O)CC1 1826807345 DSGBFGBIWGWRNB-INIZCTEOSA-N 461.500 -0.296 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)CS(=O)(=O)N3CCCC3)CC2)CC1)[C@H](O)CCl 1833310212 CXFWSTDIDCXACF-QGZVFWFLSA-N 465.016 -0.417 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)c3cnncc3C(=O)O)CC2)CC1)c1ccc(B(O)O)cc1 1834798337 JFCASUGWPNJZRW-UHFFFAOYSA-N 481.318 -0.646 50 20 JBGD CC(=O)N(C)[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1835122118 PAYCXFGABXPNBW-MRXNPFEDSA-N 458.368 -0.582 50 20 JBGD C[C@H](Nc1cccnc1)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1835686687 LHCDFYGRYLQUAN-GAJHUEQPSA-N 468.319 -0.668 50 20 JBGD O=C(CCc1cccnc1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835928283 IDICHJYODMBJRO-HSZRJFAPSA-N 453.304 -0.536 50 20 JBGD N#Cc1cccc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)c1 1835934090 MYSBQCMBCOWCRM-VWLOTQADSA-N 477.326 -0.059 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(Cl)c3nncn3c1)CCO2 1837369903 CZPZRHURACQMKR-JOCHJYFZSA-N 499.720 -0.554 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3c[nH]c4cnccc34)C2)C1 1837459498 SDHHVVGZZIXERV-QHCPKHFHSA-N 479.497 -0.055 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4cncn4c3)C2)C1 1837459995 YDNAONRZVXBSJD-HSZRJFAPSA-N 479.497 -0.283 50 20 JBGD C[Si](C)(C)OCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3nccnc3C(N)=O)C2)C1 1837715277 GVOBDCVCTPVKHC-IBGZPJMESA-N 451.556 -0.503 50 20 JBGD CN(CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCCO3)C2)C1)NC(=O)NCc1ccccc1 1839054282 QYNWCNQBRTTZCR-RDPSFJRHSA-N 489.573 -0.032 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@H](N)c3cccnc3)C2)C1 1840183926 IHSGLSMJSYAGKY-AVRDEDQJSA-N 462.551 -0.699 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(c3)OCCO4)C2)C1 1840184264 FZZBDIHWVGEMGT-HSZRJFAPSA-N 476.530 -0.099 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cn4cccnc4n3)C2)C1 1840184588 WEEVMHKIPBPLOR-OAQYLSRUSA-N 459.507 -0.828 50 20 JBGD CC(C)(C)OC(=O)N1CC[C@H](C(=O)N2CCCC23CN(C(=O)c2cccc(B(O)O)c2)C3)[C@H](O)C1 1841025197 AFHCENHEZZEHEY-RBUKOAKNSA-N 487.362 -0.199 50 20 JBGD COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)NNC(=O)N2CCOCC2)c1OC 745992947 OQUUKISRMCJCPX-UHFFFAOYSA-N 458.493 -0.589 50 20 JBGD O=C(CCCNS(=O)(=O)c1ccc2c(c1)OCCCO2)NNC(=O)C(=O)N1CCCC1 748247630 SSZMEANLGRGRLZ-UHFFFAOYSA-N 454.505 -0.324 50 20 JBGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)NC[C@H]1COCCO1 918108342 HNLWGGOSUUXCAN-INIZCTEOSA-N 456.521 -0.614 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](N)CN)C1 1778001305 URQTWDSAYONHDB-YRISNDGFSA-N 463.491 -0.066 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(=O)nc4sccn34)C2)C1 1779954812 QOZGKIYWYDFZNZ-OAQYLSRUSA-N 483.510 -0.488 50 20 JBGD O=C(OCCO)c1ccccc1C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1780156601 PFNORDDGGLPYBE-DEOSSOPVSA-N 482.298 -0.727 50 20 JBGD COCCn1nccc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1787625894 TULBRNKUHPHDGJ-QRFRQXIXSA-N 456.308 -0.884 50 20 JBGD CCNC(=S)NCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C[C@@H]21 1790570505 DAFVTBLBQMSATL-SKIHNHESSA-N 477.591 -0.416 50 20 JBGD CCOC(=O)c1ncn2c1CC[C@H](C(=O)N1C[C@@H]3COC[C@H](C1)[C@@H]3NC(=O)[C@@H](O)CCl)C2 1792983159 BESDZMKXQGIQFX-QZLJAVCYSA-N 468.938 -0.189 50 20 JBGD O=C1CN(c2cccc(C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)c3cccc(B(O)O)c3)C4)n2)CCCN1 1794841059 RVLZPJVWZGJUGK-ACDBMABISA-N 491.357 -0.347 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(Br)nc1)C2)c1ccc(B(O)O)cc1 1795735034 LBWAGPCPVIRVLX-CWPLJXCYSA-N 488.147 -0.030 50 20 JBGD O=C(NC[C@@H]1CCN(C(=O)CCN2C(=O)C=CC2=O)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807365391 ORYWBXJYDZBNCI-FDDCHVKYSA-N 476.298 -0.604 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807368718 XLBNJJVGPZJCSD-GCJKJVERSA-N 467.335 -0.546 50 20 JBGD Nc1n[nH]c(CCC(=O)N2CC[C@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)n1 1807375352 OKESHMUMPGFLOU-OXQOHEQNSA-N 463.307 -0.586 50 20 JBGD O=C(CNC(=O)C(F)(F)F)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1813096776 FJJLUJZNJBNRQY-MAUKXSAKSA-N 478.236 -0.241 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(=O)n3[nH]nnc3n2)CC1 1828926520 MBCQUGJZDVQUMU-QGZVFWFLSA-N 494.516 -0.642 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1Cc3ccccc3CN1C)CCO2 1832471569 ITLRWLGSQAFLNP-PXDATVDWSA-N 487.601 -0.128 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1nc(Cl)ccc1F)CCO2 1833243805 ZKOYRGUYAAQVJI-OAQYLSRUSA-N 477.685 -0.062 50 20 JBGD CS(=O)(=O)Cc1ncccc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1833564203 VCWAKBCNBGMCFL-APWZRJJASA-N 475.951 -0.704 50 20 JBGD O=C(COCc1ccccc1)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1835367045 GFZPPYLWDAVPBQ-XMMPIXPASA-N 468.315 -0.347 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC1CCN(C2CCN(C(=O)c3cnc(O)nc3O)CC2)CC1 1835736769 HDIJFDPWVUTIHZ-UHFFFAOYSA-N 484.517 -0.615 50 20 JBGD Cc1ccn2c(C(=O)N3CCOC[C@@]4(CN(C(=O)c5ccc(B(O)O)cc5)CCO4)C3)cnc2c1 1835932060 LNUHZCFGDDJOMD-XMMPIXPASA-N 478.314 -0.294 50 20 JBGD O=C1Cc2cc(C(=O)N3CCO[C@@]4(COCCN(C(=O)c5cccc(B(O)O)c5)C4)C3)ccc2N1 1836787201 LGNMMHFSXXBRQL-XMMPIXPASA-N 479.298 -0.755 50 20 JBGD CCCC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1837674868 OPXPRGCCMWTSRK-IVZQSRNASA-N 476.534 -0.940 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccnc3c1OCO3)CCO2 1838479864 JJJPOIQGGJMHAH-NRFANRHFSA-N 463.491 -0.747 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc3nccn13)CCO2 1839553197 LWVWJXLMIOJIAX-JOCHJYFZSA-N 458.519 -0.223 50 20 JBGD COc1cc(F)ccc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1840640286 OXGRZVSQHIICPB-QHCPKHFHSA-N 472.278 -0.102 50 20 JBGD CCOC(=O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1840884009 RQJAAZUZAXXDJE-QFIPXVFZSA-N 462.308 -0.974 50 20 JBGD COC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843011178 ZQCZMSRWCQBWKV-QGZVFWFLSA-N 461.324 -0.277 50 20 JBGD O=C(COCC(=O)NNC(=O)[C@@H]1Cc2ccccc2O1)NNC(=O)[C@@H]1Cc2ccccc2O1 729842613 IHHGCZYJKZKOJK-ROUUACIJSA-N 454.439 -0.695 50 20 JBGD CC(=O)c1cccc(S(=O)(=O)NCC(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)c1 913573008 FVTZQIMPWTXDCU-UHFFFAOYSA-N 457.468 -0.124 50 20 JBGD O=C(COC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)NNC(=O)c1cccc(Cl)c1 914657420 WGPNSFYGXGFTNF-OCCSQVGLSA-N 457.892 -0.320 50 20 JBGD CC(C)n1nc(C(=O)NNC(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)c2ccccc2c1=O 914829747 QMSQGXRQSDSMSI-KBPBESRZSA-N 475.527 -0.226 50 20 JBGD COc1cc2c(cc1OC)[C@@H](CC(=O)NNC(=S)NCC(=O)N(C)C)N(S(C)(=O)=O)CC2 918717189 NEFHDBFLANUOFA-CQSZACIVSA-N 487.604 -0.464 50 20 JBGD CC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)cc1 919886308 VKFYNWDHQCZOIK-HNNXBMFYSA-N 474.561 -0.193 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1Cc3ccccc3CN1)CCO2 1779030320 NYLGHNNZRGHCRX-GBXCKJPGSA-N 464.526 -0.157 50 20 JBGD C[C@H](Nc1cnccn1)C(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779031916 HLFGMPFTIMJHQR-QKKBWIMNSA-N 454.491 -0.581 50 20 JBGD C[C@@H](Cn1cncn1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2 1779498357 PMFYGKMUOSQFFZ-DKZVUGQWSA-N 455.324 -0.578 50 20 JBGD C[C@H](NC(=O)c1ccccn1)C(=O)N1CC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1782671464 APRICUKJFUPNBN-KSFYIVLOSA-N 460.535 -0.597 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CCC(=O)NC3)[C@H]2C1 1783628211 PEYSZTZYSRTHCG-IRSIXNSJSA-N 458.519 -0.374 50 20 JBGD Cc1cc(NC(=O)CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)no1 1787488643 DLKDFSMOWZPLOP-SZMVWBNQSA-N 470.291 -0.715 50 20 JBGD COc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)c(OC)c1 1795734980 DNOOGCWNTSAPFU-VPTLXERWSA-N 454.288 -0.099 50 20 JBGD CN(CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN1CCNC1=N)C2)NC(=O)NCc1ccccc1 1799864799 OTVODPCBCRJRLG-REPLKXPHSA-N 470.578 -0.189 50 20 JBGD CC(C)CNC(=O)C(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807361060 GMBQHOSWRNRNGI-ICSRJNTNSA-N 452.320 -0.147 50 20 JBGD CCNC(=S)NCC(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807372441 FNMRAPBJGJXJIP-XLIONFOSSA-N 469.376 -0.435 50 20 JBGD O=C(NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)c1cc(=O)nc2cccnn12 1811335668 LBTOYULEWLCXMQ-WZONZLPQSA-N 498.308 -0.202 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(=O)n3[nH]cnc3n2)CC1 1828926889 UCZZXPITGJYWSV-SFHVURJKSA-N 493.528 -0.037 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCc1ccc(F)nc1)CCO2 1832837660 FBXCRTNAGVHQSC-QFIPXVFZSA-N 465.526 -0.017 50 20 JBGD CN(C)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)CN(C)NC(=O)NCc3ccccc3)C2)C1 1835387809 BTWCZEPMJKBERC-DEOSSOPVSA-N 490.605 -0.259 50 20 JBGD Nc1c(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)sc2nccnc12 1835874147 RDRUIAMPYRUKRO-ADLMAVQZSA-N 455.924 -0.057 50 20 JBGD CC(=O)N1CCN(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@](C)(Cl)CCl)C3)C2)CC1 1836767652 OFYAWWCTWJRYBS-PMACEKPBSA-N 479.405 -0.157 50 20 JBGD CCNC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C2)C1 1837380814 DXBICZRJBFCCDF-SBLCTQRCSA-N 491.549 -0.716 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)c1cnccc1Cl)CCO2 1837776278 WNCCTTGFCOMIHB-NRFANRHFSA-N 459.695 -0.201 50 20 JBGD COc1ccnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)c1OC 1838841669 ICNIHZICRAOJGQ-JOCHJYFZSA-N 479.534 -0.458 50 20 JBGD CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](F)Br)CCO2)C1 1839201853 LGNCLLOOWCNBLX-XWCIJXRUSA-N 484.319 -0.024 50 20 JBGD COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843012390 KQWFCRJPMRXVRE-KRWDZBQOSA-N 489.334 -0.360 50 20 JBGD CCn1c(CCC(=O)NNC(=O)C(=O)NC(C)C)nc2cc(S(=O)(=O)N(C)C)ccc21 46773302 VONAMAMHADZTSB-UHFFFAOYSA-N 452.537 -0.089 50 20 JBGD O=C(Cn1cnc2ccc(Br)cc2c1=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 919885297 KWAUZAJJCUNRDX-SNVBAGLBSA-N 458.294 -0.324 50 20 JBGD CN(CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CCNC(=O)C1)CCO2)NC(=O)NCc1ccccc1 1780968962 RLBFICGFBAPCKT-DVECYGJZSA-N 486.573 -0.311 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@]2(CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1 1782782189 MPIBOIVLZWGRSZ-NMWDDECMSA-N 499.484 -0.280 50 20 JBGD C[C@@H](C(=O)N1CC[C@@]2(CN(C(=O)CN(C)NC(=O)NCc3ccccc3)CCO2)C1)n1cnnn1 1784598929 YHFBYAXXQOERII-HTAPYJJXSA-N 485.549 -0.590 50 20 JBGD O=C(CCNC(=O)c1ccc[nH]1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1785246623 XEAGSSRNCWUOJT-QRFRQXIXSA-N 468.319 -0.892 50 20 JBGD CN(C)c1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)nc1 1794460684 XYKTYGBEZFPAKZ-HBCWATKFSA-N 453.503 -0.337 50 20 JBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(CS(C)(=O)=O)nc1 1796078732 QOLZIJYMMWHEJQ-CWPLJXCYSA-N 481.575 -0.798 50 20 JBGD CN1CCN(C2(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)c3cnccc3C(=O)NN)CC2)CC1 1798441787 KQSPBXAHGLMVKX-BJWYYQGGSA-N 455.563 -0.283 50 20 JBGD COC(=O)C1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CN(C)NC(=O)NCc2ccccc2)C3)CC1 1800556739 UKOFZQRXUZBDAY-OPVJXMOQSA-N 487.557 -0.125 50 20 JBGD CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](O)CCl)C3)C1 1801051925 UGLCPHNPGWRNGD-UPYQZRRNSA-N 461.943 -0.452 50 20 JBGD CNC(=S)NCCC(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1810305159 ARAVXVYULDWLPI-YLJYHZDGSA-N 469.376 -0.435 50 20 JBGD Nc1n[nH]c(CCC(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(B(O)O)cc3)CC2)n1 1827051823 HEHKCMBOXQFSTD-GOSISDBHSA-N 454.340 -0.067 50 20 JBGD O=C([C@@H]1C[C@H](O)CN1)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@@H](O)CCl)C2)C1 1829202207 CJNGPZQGFGTCQY-KEXUJGGDSA-N 494.976 -0.239 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(CN(C(=O)C[C@H]3CCCCO3)CCO2)C1 1832344809 QXWUHDVXLNCFLT-ZHRRBRCNSA-N 461.519 -0.286 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ncn(C)n1)CCO2 1833880221 VHQYYGVSOWSDKT-BTVXTAIASA-N 458.479 -0.981 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCC(N2CCC(NC(=O)[C@@H]3CCC(=O)N3)CC2)CC1 1834526197 PUYIRQXKBKTEPI-TUCSVVMZSA-N 471.562 -0.029 50 20 JBGD O=C(CN1CCCC1=O)NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834626420 OJPMSNUSBSCQRK-UHFFFAOYSA-N 456.352 -0.826 50 20 JBGD N=C(N)SCCC(=O)N1CCC(N2CCC(NC(=O)c3cccc(B(O)O)c3)CC2)CC1 1834801122 QJFIINQYBGSSIP-UHFFFAOYSA-N 461.397 -0.432 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC1CCN(C2CCN(C(=O)[C@@H]3CCC(=O)N3)CC2)CC1 1835118327 PLJXKNMFRSRUTE-TUCSVVMZSA-N 471.562 -0.029 50 20 JBGD N[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1)c1cccc(Cl)c1 1835731039 RNFHNDOWXFJONK-OFNKIYASSA-N 487.749 -0.210 50 20 JBGD CCOC(=O)/C=C/C(=O)N1CCC(N2CCC(NC(=O)c3cnccc3C(=O)NN)CC2)CC1 1835737057 UTCMRKREMHRHRU-ONEGZZNKSA-N 472.546 -0.010 50 20 JBGD CCc1[nH]nc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)c1Cl 1835928745 XRBXFRCSRDLUFL-OAQYLSRUSA-N 476.726 -0.311 50 20 JBGD COC(=O)c1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)c(C)c1 1835941771 OXIARWHXXVIUOR-RUZDIDTESA-N 496.325 -0.155 50 20 JBGD C[C@@H](C(=O)NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1)N1CCN(C)CC1 1836371841 BJMIGWBTNISFQV-IBGZPJMESA-N 485.438 -0.813 50 20 JBGD CCOC(=O)N[C@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)Br)C2)C1 1837211123 HQWNHRIIDBZDHV-XHBSWPGZSA-N 452.302 -0.709 50 20 JBGD C[Si](C)(C)c1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)co1 1837421957 DROQBNYPAMTWFD-HSZRJFAPSA-N 486.406 -0.112 50 20 JBGD CC(C)(C)OC(=O)CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnccc1C(=O)NN)CCO2 1837456913 RZTFRQUUOVPELS-QFIPXVFZSA-N 477.518 -0.513 50 20 JBGD C[Si](C)(C)OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnccc1C(=O)NN)CCO2 1837460041 ZQKJWPLJOUNNON-HXUWFJFHSA-N 465.583 -0.393 50 20 JBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CS(=O)(=O)N3CCCC3)C2)C1 1840152636 OLIPUMJKLBXXBW-YJBOKZPZSA-N 467.972 -0.878 50 20 JBGD CC(C)(C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1)c1ccccn1 1840328995 XWNMDNFCRQFAOL-DEOSSOPVSA-N 467.331 -0.191 50 20 JBGD Cc1cc(C(=O)N2CC3(CCCN3C(=O)c3ccc(B(O)O)cc3)C2)n(-c2cccc(=O)n2C)n1 1843011159 XKMZHRLBRWQUEW-UHFFFAOYSA-N 475.314 -0.310 50 20 JBGD O=C([C@H]1CCc2nc(O)nc(O)c2C1)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843013659 VNWUVYVAWNSLIQ-AWEZNQCLSA-N 452.276 -0.810 50 20 JBGD CN(CC(=O)N1CCCC12CN(C(=O)CNC(=O)N(C)C)C2)NC(=O)NCc1ccccc1 1845038297 NOPPBIINVAMSNO-UHFFFAOYSA-N 459.551 -0.193 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC2(CCCN2C(=O)[C@@]2(O)CCN(C(=O)OC(C)(C)C)C2)C1 1846412710 WRWCKTXPNFOKJS-JOCHJYFZSA-N 467.567 -0.065 50 20 JBGD Cc1c(C=NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)c(=O)n2c([nH]c3ccccc32)c1C#N 730569034 JWSOJIAEKFQATR-UHFFFAOYSA-N 478.494 -0.004 50 20 JBGD O=C(COC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)NNC(=O)c1ccc(Cl)cc1 914651760 ONYTUKAMOLCICV-JSGCOSHPSA-N 457.892 -0.320 50 20 JBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NCCCn2nc3n(c2=O)CCCC3)cc1 916649827 KFRLPQKDNXKKGJ-UHFFFAOYSA-N 479.563 -0.269 50 20 JBGD O=C(CS(=O)(=O)Cc1cccc(Br)c1)NNC(=O)N[C@H]1CCS(=O)(=O)C1 919887595 BYSVBVDUWJTZBV-LBPRGKRZSA-N 468.351 -0.119 50 20 JBGD CC[C@@H](NC(N)=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cnccc1C(=O)NN)C2 1777984502 IFJBRICQWJETEZ-WHSLLNHNSA-N 461.523 -0.741 50 20 JBGD CC(C)(C)n1cc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)nn1 1779032574 NNYUZOSMXSGYJT-OAQYLSRUSA-N 456.507 -0.211 50 20 JBGD CNC(=S)NCCC(=O)N1CC[C@]2(C1)CN(C(=O)/C(C)=N/NC(=O)c1ccc[nH]1)CCO2 1779040130 HSWYJLWFKKWVLS-PGLVWIQMSA-N 463.564 -0.566 50 20 JBGD CCC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)[C@H]2C1 1785190896 ZVLCFGFPGSZAAI-VGWMRTNUSA-N 494.980 -0.179 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(CS(C)(=O)=O)nc3)[C@H]2C1 1787251027 CLOMUJPCPNDVJI-WDSOQIARSA-N 495.602 -0.408 50 20 JBGD COc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cnccc4C(=O)NN)C[C@@H]32)ccn1 1788906887 FOMQXEMRTURYAG-WBAXXEDZSA-N 454.487 -0.004 50 20 JBGD Cc1c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]3C2)cn2[nH]cnc(=O)c12 1791290808 NUVTYLQCCAECDE-XIRDDKMYSA-N 473.534 -0.703 50 20 JBGD CN1CCCn2nc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]4C3)cc2C1 1791293941 PZNLXNZGTAOTRO-QRFRQXIXSA-N 475.594 -0.315 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)NC(=O)c1ccccn1)C2 1796443941 QZNDEVJDORJFJR-IKMWPHMTSA-N 495.540 -0.077 50 20 JBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3nc(CO)[nH]c3c1)C2 1797750744 OUXARLBYWFBSEU-VTEUUUEMSA-N 479.497 -0.429 50 20 JBGD CN(CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cnn(C)c1)C2)NC(=O)NCc1ccccc1 1799099493 YQPQCBKLIINASC-JHDGKUDLSA-N 483.573 -0.102 50 20 JBGD CCOC(=O)N[C@@H](O)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCC(=O)NN(C)C)[nH]n1 1819243246 BSBCYOGAZQHVTO-UGSOOPFHSA-N 453.500 -0.161 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(=O)n3[nH]cnc3n2)CC1 1827046601 WXPWHICEGFRFRF-SFHVURJKSA-N 493.528 -0.037 50 20 JBGD O=C1NC(=O)[C@@H](CC(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc(B(O)O)c3)CC2)N1 1827056193 QCJOIFRZDSLVMZ-QZTJIDSGSA-N 456.308 -0.802 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)c1cnc(Cl)nc1)CCO2 1829517474 VUJCNNUNYSPNPL-FQEVSTJZSA-N 460.683 -0.806 50 20 JBGD COc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)cc1F 1830144907 SYBOPWPJYHDYOG-HSZRJFAPSA-N 472.278 -0.102 50 20 JBGD O=C(c1nc2c(=O)[nH]c3ccccc3n2n1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830730533 AZHHGCISVODHCK-YCRPNKLZSA-N 490.904 -0.760 50 20 JBGD COc1cccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)n1 1832823639 FXHOADULEBLSSV-XMMPIXPASA-N 498.540 -0.209 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC1CCN(C2CCN(C(=O)Cc3ncccn3)CC2)CC1 1835736949 BMPXMJFSVPNWHP-UHFFFAOYSA-N 466.546 -0.097 50 20 JBGD CC(C)(C)OC(=O)CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835934200 PPIACGCYSAKMBL-JOCHJYFZSA-N 462.308 -0.832 50 20 JBGD COC(=O)[C@@H]1CCC[C@@H](C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)C1 1835934264 QQOILMFTYCEKIV-IECBHUPTSA-N 488.346 -0.584 50 20 JBGD CC(C)(C)c1cnc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)cn1 1835936735 ALDYMVXKTFGFPR-XMMPIXPASA-N 482.346 -0.162 50 20 JBGD C[Si](C)(C)OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1n[nH]c3c1CS(=O)(=O)C3)CCO2 1836258079 RNTGMKHOHCZOMS-LJQANCHMSA-N 486.623 -0.240 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCC(OC2CCN(C(=O)[C@@H](O)CCl)CC2)CC1 1836716970 BFXFSPLWUIEXSA-KRWDZBQOSA-N 453.927 -0.103 50 20 JBGD O=C(C[C@@H]1CNc2ccccc2O1)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1837351402 NHLSXIIHFYKJPC-CJFMBICVSA-N 495.341 -0.300 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)CCN3CCCCC3)C2)C1 1837457491 FAUPAAWJUVZBAN-QHCPKHFHSA-N 474.562 -0.369 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)CCCn3ccnc3)C2)C1 1837460347 CFKLTLCDSMOGAM-QFIPXVFZSA-N 471.518 -0.568 50 20 JBGD Cc1ccc(=O)n(C(C)(C)C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)n1 1837655920 GHKIZXXRISDXJL-MGPUTAFESA-N 456.927 -0.657 50 20 JBGD C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](F)Br)CCO2)C1)N1CCN(C)CC1 1839202108 VBUCOLIDMPQSIN-IIDMSEBBSA-N 465.364 -0.231 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCc3nc[nH]c3C1)CCO2 1840363338 TZIZINXAKVFQSH-NPMXOYFQSA-N 483.529 -0.717 50 20 JBGD Cn1[nH]c(Br)c2c(=NCCNC(=O)NN[C@@]3(C)CCS(=O)(=O)C3)ncnc1-2 729625281 QVPOEEPZYKWHEQ-AWEZNQCLSA-N 461.346 -0.708 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1779032303 NAPZCGMOGPSBEG-QHCPKHFHSA-N 455.515 -0.173 50 20 JBGD CC(=O)NCC(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnccc2C(=O)NN)C1 1779371534 XSAVCASKFFPSOZ-WZONZLPQSA-N 474.562 -0.025 50 20 JBGD COc1cc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cnccc3C(=O)NN)C2)nn1C 1779374137 CONQBDOCYBSZKK-VGOFRKELSA-N 471.518 -0.132 50 20 JBGD C[Si](C)(C)OCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(=O)n3[nH]nnc3n1)C2 1779543597 KIONKJFTHFACNY-AUUYWEPGSA-N 463.571 -0.208 50 20 JBGD CN(CC(=O)N1CC[C@]2(CN(C(=O)CCn3ccnn3)CCO2)C1)NC(=O)NCc1ccccc1 1780969409 MYSOWPXTMIRADL-HSZRJFAPSA-N 484.561 -0.156 50 20 JBGD CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1781013580 SGNJPMMDUSWPTN-JPYJTQIMSA-N 473.335 -0.181 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnn4c3OCCC4)C2)C1 1782279334 GJQKDSLQVAFZEC-OAQYLSRUSA-N 455.475 -0.579 50 20 JBGD C[C@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)CCO2)C1 1783528760 AFPXBGJLAQCPNN-HXPMCKFVSA-N 497.350 -0.953 50 20 JBGD CC(C)NC(=O)OC(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1789753427 DPHIVFYUXXFMBL-WDSOQIARSA-N 475.351 -0.127 50 20 JBGD CC(C)(C)OC(=O)N1CC[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](O)CCl)C3)[C@@H](O)C1 1792449529 GQURXQOVUTYRFN-FQMQPWHVSA-N 475.970 -0.206 50 20 JBGD O=C(NC[C@H]1CCN(C(=O)c2nc3ncccn3n2)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807375131 MSIKJSPCBGHBKS-MJGOQNOKSA-N 471.286 -0.168 50 20 JBGD O=C(N[C@H]1CCc2nc(NC(=O)c3nc4ncccn4n3)sc2C1)c1cccc(B(O)O)c1 1818305844 VLAHHVQFXPRAIG-ZDUSSCGKSA-N 463.288 -0.200 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)CC[C@@H](N)C(N)=O)CC1 1828926329 GHQCSGVGWQKDBL-MSOLQXFVSA-N 459.551 -0.489 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCC(F)(F)C1)CCO2 1829651012 XGWRUFYUNOKIOK-OXQOHEQNSA-N 452.263 -0.128 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H](O)N2CCOCC2)CC1 1831873202 CZULFINRZXJABY-XMSQKQJNSA-N 453.584 -0.370 50 20 JBGD O=C(CN1CCS(=O)(=O)CC1)NC1CCN(C2CCN(C(=O)[C@@H](F)Cl)CC2)CC1 1833713984 NXXRYOREAMXGCX-QGZVFWFLSA-N 452.980 -0.177 50 20 JBGD O=C(Nc1cccnc1)C(=O)NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1835802868 REPLEXWRYZAZDV-UHFFFAOYSA-N 479.346 -0.415 50 20 JBGD Cn1cc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)cn1 1837457876 ULODCQOYGSHSTE-JOCHJYFZSA-N 471.518 -0.879 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c(c3)CNC4=O)C2)C1 1837458860 FPYLRMCPBMSCSM-XMMPIXPASA-N 494.508 -0.688 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(CN(C(=O)c3ccncc3O)CCO2)C1 1837817394 BUQURIWLIHPCPJ-OAQYLSRUSA-N 456.459 -0.831 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCC(=O)N1C)CCO2 1839213842 BZVKSDFCYMGMSF-OJAHUALRSA-N 474.518 -0.802 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccn3nccc13)CCO2 1839539396 MFNVXNNQGKXZAH-HSZRJFAPSA-N 479.497 -0.283 50 20 JBGD Cc1cn(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CCBr)C3)C2)c(=O)nc1O 1840806921 QFLXOYWRQRDZBJ-GOSISDBHSA-N 473.324 -0.501 50 20 JBGD C[C@H](CN)C(=O)N1CCCC12CN(C(=O)[C@H](Cc1ccc(B(O)O)cc1)NC(=O)OC(C)(C)C)C2 1842867586 JCDKGIZAKNINRX-APWZRJJASA-N 488.394 -0.400 50 20 JBGD CC(C)(C)OC(=O)N1CC(=O)C[C@H]1C(=O)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843012694 GHWYWVVUSHXRIP-SFHVURJKSA-N 471.319 -0.238 50 20 JBGD COc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C 16161729 FGVDVVYSUCLBPI-UHFFFAOYSA-N 492.876 -0.510 50 20 JBGD CC(=NNC(=O)[C@@H](C)NS(C)(=O)=O)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 729819105 DELQBMKKSNGGRM-LLVKDONJSA-N 454.552 -0.810 50 20 JBGD O=C(COC(=O)C1=CC=CN2CCS(=O)(=O)N=C12)NNC(=O)[C@@H]1COc2ccccc2O1 762383827 PAKIXBXVJFDNPS-HNNXBMFYSA-N 462.440 -0.985 50 20 JBGD COC(=O)NCC(=O)NNC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1S(C)(=O)=O 919744623 ONWGWUVVZKHXST-ZDUSSCGKSA-N 458.493 -0.544 50 20 JBGD C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1785574516 LTLHVRYEBPWBFK-NTKDMRAZSA-N 485.346 -0.274 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc(OCF)cn3)C[C@@H]21 1788611532 KAWPIYVMFAGZDP-NUTKFTJISA-N 473.465 -0.312 50 20 JBGD CN(CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(=O)N(C)C)C[C@@H]21)NC(=O)NCc1ccccc1 1789726722 PWKWNXHQKBYEPX-FHWLQOOXSA-N 474.562 -0.600 50 20 JBGD COC(=O)c1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)cc1 1795740941 RDNLCDTWVFVXKN-HATOLVCRSA-N 466.299 -0.401 50 20 JBGD O=C(Cc1cn2c(nc1=O)SCC2)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1 1796188565 VBXFLCWNOUUQCT-BCDXTJNWSA-N 468.344 -0.477 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)NCCC#N)C2 1796440573 RYAHOMHEWPPJID-OZPPHJKRSA-N 457.535 -0.008 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2c(c1)CNC2=O 1797549730 OYTRMOHCVUWVKD-CCWDJLKJSA-N 464.482 -0.555 50 20 JBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc([N+](=O)[O-])c3c1OCO3)C2 1797752734 CLBAKKQOMKRLMA-DPIQGUFMSA-N 498.452 -0.161 50 20 JBGD CN(CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1nc(N)n[nH]1)C2)NC(=O)NCc1ccccc1 1799097924 XKQZPFRUQYBXII-UPHUGPLXSA-N 499.576 -0.745 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCC2(CCCN(C(=O)c3cc4n(n3)CCNC4=O)C2)CC1 1808822648 ZWGWNESHVYJQOF-UHFFFAOYSA-N 459.551 -0.156 50 20 JBGD CN1CCN(CC(=O)N[C@@H]2CCc3nc(NC(=O)c4cnccc4C(=O)NN)sc3C2)CC1 1819796732 BGTOLXUVPSSHKU-CYBMUJFWSA-N 472.575 -0.385 50 20 JBGD C[C@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1830541162 YGOUPEOENVFZCR-BFUOFWGJSA-N 484.351 -0.214 50 20 JBGD CS(=O)(=O)c1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)nc1 1830724992 KSWQOPHKBKMBKR-CRAIPNDOSA-N 461.924 -0.845 50 20 JBGD CCOC(=O)N1CCC(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)CC1 1830737301 CZZBSFQXZLXKQT-JXFKEZNVSA-N 461.943 -0.089 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(CN(C(=O)c3cncc(F)c3)CCO2)C1 1834356885 AACGRIIZTTYHGE-NRFANRHFSA-N 458.450 -0.397 50 20 JBGD CN(CC(=O)N1CCC(N2CCC(NC(=O)CN)CC2)CC1)NC(=O)NCc1ccccc1 1834669125 ACMCVSPKSVKBBZ-UHFFFAOYSA-N 459.595 -0.137 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCN1CCCCC1)CCO2 1835136133 DLTGSVOLKWHHAD-QFIPXVFZSA-N 453.584 -0.308 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)c3ccnn3-c3ccccc3)C2)C1 1835928313 KEAWDOJCLQHCTI-RUZDIDTESA-N 490.325 -0.064 50 20 JBGD CN(CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2)C(=O)c1ccccc1 1835933752 CEDAKVFOMOMHBX-RUZDIDTESA-N 495.341 -0.791 50 20 JBGD O=C(c1ccc(O)c([N+](=O)[O-])c1)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835939011 BHCLMLDGWYLEPT-QFIPXVFZSA-N 485.258 -0.636 50 20 JBGD CCN(CC)C[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835939707 FIWWDGMIDOWSJG-FDDCHVKYSA-N 461.368 -0.586 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)c1n[nH]c3ccc(F)cc13)CCO2 1837039122 IYWNNLDNWTUHOQ-QHCPKHFHSA-N 482.277 -0.234 50 20 JBGD CCOC(=O)N[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@](C)(Cl)CCl)C2)C1 1837209341 POLAMMRZLWFRFP-CSMYWGQOSA-N 456.323 -0.256 50 20 JBGD C[C@H](NC(=O)c1cnccn1)C(=O)N1CCOC[C@@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1 1837715285 GYWFIHGHEQEXCR-HRAATJIYSA-N 479.610 -0.097 50 20 JBGD Cc1ccc(O)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)c1 1838892354 AFEBNRXDCPUKHB-HSZRJFAPSA-N 454.288 -0.236 50 20 JBGD COc1cc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)CCC(=O)NN(C)C)CCO3)ccn1 1840182780 UEFYFBJUWMJJNH-HSZRJFAPSA-N 477.562 -0.148 50 20 JBGD CCCC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840185924 WMWNGAIYHGTTHH-IERDGZPVSA-N 455.556 -0.879 50 20 JBGD CCOC(=O)c1ccc(S(=O)(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c(Br)c1 728510000 SYCVSLBNDFFRJQ-MRVPVSSYSA-N 472.339 -0.127 50 20 JBGD COc1ccc(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc1S(=O)(=O)N1CCCCCC1 729275086 KOJODBOSSVPHOB-CYBMUJFWSA-N 476.577 -0.041 50 20 JBGD CN1C(=O)c2ccc(S(=O)(=O)NNC(=O)c3csc(N4CCOCC4)n3)cc2C1=O 861633437 OVSYRCUFTYCOKZ-UHFFFAOYSA-N 451.486 -0.171 50 20 JBGD CC(C)C(=O)NCCNC(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 915906646 BNUPZRJRNOENDQ-UHFFFAOYSA-N 469.564 -0.257 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)CSc3ncccn3)CCO2)C1 1779031451 SEOJFSYRFHFTJN-HXUWFJFHSA-N 457.516 -0.289 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(CCN(C(=O)c3nn[nH]c3C(F)(F)F)C2)C1 1780362630 OSLLGPIXEPUXRE-QGZVFWFLSA-N 468.396 -0.421 50 20 JBGD C[C@@](Cl)(CCl)C(=O)N1CC[C@]2(CN(C(=O)CN3CCS(=O)(=O)CC3)CCO2)C1 1781224186 ILZJNIJBZHUDMW-SJORKVTESA-N 456.392 -0.217 50 20 JBGD CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1781350890 FKISHVGOPDLGML-WZONZLPQSA-N 491.350 -0.914 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(CCN(C(=O)c3c(O)cc(O)cc3O)C2)C1 1781814447 UJDRGYKTAYMFHL-OAQYLSRUSA-N 457.443 -0.441 50 20 JBGD CC(C)(C)OC(=O)N1CC[C@H]1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1784818122 RBOIYAWJFUHHGC-LEAZDLGRSA-N 487.362 -0.031 50 20 JBGD Cn1nc2c(c1C(=O)N1CC[C@H]3CO[C@@H](CNC(=O)c4cnccc4C(=O)NN)[C@H]3C1)CCC2 1788609748 FVCOXOHXYKLTJM-IXDGSTSKSA-N 467.530 -0.186 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc4ccc(F)cn4n3)C[C@@H]21 1788609860 OMQQOAMJNRIQPS-ZLIFDBKOSA-N 482.476 -0.226 50 20 JBGD CN(CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C[C@@H]1NC(=O)NC1=O)NC(=O)NCc1ccccc1 1794209956 HIAMQHWSCXVECK-MHORFTMASA-N 485.545 -0.431 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1ccc(OC(F)F)cn1 1794455761 INVPQLWLRHUPGF-ZSBFGKGUSA-N 461.230 -0.120 50 20 JBGD CN(CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1)C(=O)OC(C)(C)C 1795737591 YVGPJVQTOHWWCZ-HGKCTWBKSA-N 461.324 -0.564 50 20 JBGD CN(CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2)NC(=O)NCc1ccccc1 1799094820 AEKPUVNUINCVNV-ZMMAXQRCSA-N 467.954 -0.478 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2)[C@@H]1C[C@H](O)CN1C(=O)OCc1ccccc1 1802024857 AICJSQAHRADBIG-XSEPRYCASA-N 495.960 -0.052 50 20 JBGD Cc1cn(CC(=O)N2CC[C@H](CNC(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)c(=O)nc1O 1807373328 BLZYILPZWVGNJT-NQIIRXRSSA-N 491.313 -0.648 50 20 JBGD Nc1n[nH]c(CCC(=O)N2CC[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)n1 1807375348 OKESHMUMPGFLOU-OXJNMPFZSA-N 463.307 -0.586 50 20 JBGD O=C(CCN1C(=O)C=CC1=O)N[C@@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815350306 PDOLOJNCCNRPIZ-CQSZACIVSA-N 468.300 -0.636 50 20 JBGD O=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1)c1ccc(Cl)cc1 1830685087 IAYGNKNFWZNZFQ-HSZRJFAPSA-N 486.717 -0.027 50 20 JBGD Cc1onc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)c1C 1831977556 GRFWPYHWWZFZBE-NRFANRHFSA-N 458.475 -0.326 50 20 JBGD C[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)CCN3C(=O)C=CC3=O)CCO2)C1 1832025078 RQHUKOSCGSRBHQ-FZKQIMNGSA-N 458.309 -0.459 50 20 JBGD COc1ccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)cn1 1832581138 UOHRSYQLRIBAAQ-XMMPIXPASA-N 483.330 -0.527 50 20 JBGD N[C@@H](Cc1cccnc1)C(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834798706 ZUNLREHQCOWSIO-QHCPKHFHSA-N 479.390 -0.483 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCN1CCCCC1)CCO2 1835136132 DLTGSVOLKWHHAD-JOCHJYFZSA-N 453.584 -0.308 50 20 JBGD O=C(CCc1ccc2c(c1)OCO2)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1835181186 XYZPZNYFRDMHPQ-RUZDIDTESA-N 496.325 -0.202 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)[C@@H]3COc4ccccc4O3)C2)C1 1835927199 LMIDDFWYVQSPOS-XUZZJYLKSA-N 482.298 -0.724 50 20 JBGD C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1)N1CSCSC1 1835938065 IAUGGVDTJBAICK-IIBYNOLFSA-N 495.432 -0.521 50 20 JBGD Cc1nc2sccn2c1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1837143617 DAMVKFBOGUHVQO-QFIPXVFZSA-N 484.343 -0.232 50 20 JBGD COC1(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)CCC1 1837460371 DSTZOJLVXBZZJB-JOCHJYFZSA-N 461.519 -0.286 50 20 JBGD C[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837461509 WVVZIXPCEWDZPW-KZULUSFZSA-N 470.324 -0.462 50 20 JBGD Cn1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)c(C(F)(F)F)n1 1837960557 IXWJSPBOSVOGLN-FQEVSTJZSA-N 496.251 -0.498 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CC(c3ccccc3)=NN1)CCO2 1839635701 BZOFEKUQWXJNJX-GBXCKJPGSA-N 486.573 -0.418 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)Cc1ccccc1)CCO2 1839957875 KFQFPWHCBJTMOS-URXFXBBRSA-N 468.315 -0.960 50 20 JBGD C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)NNC(=O)[C@H]3CCS(=O)(=O)C3)c2)C[C@@H](C)O1 15639691 RFKJJIJQIXMZKF-GUTXKFCHSA-N 459.546 -0.320 50 20 JBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)CCc3nc(-c4nc[nH]n4)no3)cc2)CC1 728213621 BSDBEAVMXPIRRW-UHFFFAOYSA-N 461.508 -0.133 50 20 JBGD Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)CC1 914405944 CJJWQVJMVISGLV-UHFFFAOYSA-N 473.519 -0.136 50 20 JBGD COC[C@H](NC(C)=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)C2 1779559493 HYBYATNSJZDAAR-CSODHUTKSA-N 455.556 -0.976 50 20 JBGD CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1781351408 NEAKLUDZIWKEDQ-WZONZLPQSA-N 491.350 -0.914 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(CN(C(=O)CCN3C(=O)Cc4ccccc4C3=O)CCO2)C1 1783932963 NETUMMAYGSNGMJ-RUZDIDTESA-N 499.568 -0.196 50 20 JBGD C[C@H](CN)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN(C)NC(=O)NCc3ccccc3)C[C@@H]21 1786785601 UVHDHVGTDKVFCH-GTAWCEEGSA-N 460.579 -0.093 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCNC(=O)C3)C[C@@H]21 1787508516 ZRQRMESQPIRWBR-IRSIXNSJSA-N 458.519 -0.374 50 20 JBGD CC(C)(C)n1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cnccc4C(=O)NN)C[C@@H]32)nn1 1789356109 RFJFDVFASBZGLQ-OWQGQXMQSA-N 470.534 -0.061 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(=O)Nc1cccnc1)C2 1796441744 XHWBCOJCWZBOIY-LOHQAQBBSA-N 467.486 -0.256 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1cc(O)c(O)c(Cl)c1 1799770835 MTQRDKJMKPQFSH-ZSBFGKGUSA-N 460.679 -0.052 50 20 JBGD O=C(NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1)c1cccc(=O)n1O 1804948999 IYJJIMIBZUCLCC-DYESRHJHSA-N 462.271 -0.206 50 20 JBGD CN[C@H](CC(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)C(=O)O 1807370409 CVWAZAJTZRHPEK-HQRMLTQVSA-N 454.292 -0.856 50 20 JBGD CC(=O)N(C)[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1808429783 UBKKQXJNBJZNSB-MFMILTCTSA-N 452.320 -0.052 50 20 JBGD CN(C)NC(=O)CCC(=O)N[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815348012 BJHAYWCIRNVGIL-CQSZACIVSA-N 459.337 -0.578 50 20 JBGD C[C@H](NNc1ccccc1)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1829815301 XCLWCNXIAFYGPJ-MBSDFSHPSA-N 476.578 -0.179 50 20 JBGD CN1CCC(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)CC1 1830000833 PHVASJFLPGEODZ-QHCPKHFHSA-N 459.352 -0.832 50 20 JBGD O=C(Cn1nnc2ccccc21)NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1833650929 FCRQKCUVUYQSCB-UHFFFAOYSA-N 490.373 -0.004 50 20 JBGD Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)cn1 1833996625 ZGFBMQTZECPSQI-QFIPXVFZSA-N 454.487 -0.228 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CNc3ccccc31)CCO2 1835716572 YKEOCVUYZZSQTN-HYBUGGRVSA-N 465.315 -0.354 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)c3cccnc3Cl)C2)C1 1835926387 MLXBPPSUQVJIGP-NRFANRHFSA-N 459.695 -0.201 50 20 JBGD NC[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1)c1ccccc1 1835928410 OFJMMQXQEZFATN-URXFXBBRSA-N 467.331 -0.821 50 20 JBGD C[C@H](Oc1cccnc1)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835933574 CGILWSCNOGUITD-GAJHUEQPSA-N 469.303 -0.701 50 20 JBGD CC(C)c1cc(C(=O)N2CCOC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)on1 1835938004 FIEAZUFAPQOPMT-QFIPXVFZSA-N 457.292 -0.138 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)c3ccco3)C2)C1 1837456129 IZQCNHZRZRYCHV-UWJYYQICSA-N 459.459 -0.918 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccn4cncc4c3)C2)C1 1837459042 HVPDTOGNAZZMPW-QHCPKHFHSA-N 479.497 -0.283 50 20 JBGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837461607 ZPBBYSLUBAKHQB-DNVCBOLYSA-N 455.899 -0.991 50 20 JBGD C[C@H](Br)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)N1CCN(C)CC1)CCO2 1839104747 JGKIXKIQSWSPJT-TXPKVOOTSA-N 461.401 -0.138 50 20 JBGD C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1)c1ccc(O)cc1 1839168770 JFAYOGPBRZYCQH-MZNJEOGPSA-N 468.315 -0.054 50 20 JBGD CCS(=O)(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](Cl)COC)CCO2)C1 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O=C(NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1)c1cnc(O)nc1O 1808279594 QGVHMGMNTJYQLP-YJBOKZPZSA-N 463.259 -0.404 50 20 JBGD COC[C@H](NC(C)=O)C(=O)NC[C@@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1810566797 SVXBUDNSHVIDGK-FFZOFVMBSA-N 483.529 -0.449 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc([N+](=O)[O-])o3)CCO2)C1 1829485671 RPMJHPKMWHCNCC-HXUWFJFHSA-N 474.430 -0.430 50 20 JBGD CS(=O)(=O)Cc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)cn1 1830722560 DDYHRZBTYMFUTP-QFBILLFUSA-N 475.951 -0.704 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1COc3ccccc3O1)CCO2 1832493514 RPEIKOPBUAGLGX-XUZZJYLKSA-N 482.298 -0.724 50 20 JBGD COc1cccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)n1 1832767449 MLIAEHGSHVSNAR-QHCPKHFHSA-N 484.513 -0.599 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)c3ccc(CO)o3)CC2)CC1)c1cccc(B(O)O)c1 1834801232 RUDNLIWICXBBQV-UHFFFAOYSA-N 455.320 -0.049 50 20 JBGD Cn1c(=O)c2c(ncn2CC(=O)N2CCC(N3CCC(NC(=O)[C@@H](F)Cl)CC3)CC2)n(C)c1=O 1835078843 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YTGJUIAKJHKPRL-FRRDWIJNSA-N 462.550 -0.817 50 20 JBGD O=C(NNC(=O)c1ccc2c(c1)C(=O)NC2=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 729510357 ZZAXQVVFTYRWFX-UHFFFAOYSA-N 458.452 -0.334 50 20 JBGD NC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)NNC(=O)[C@@H]3Cc4ccccc4O3)CC2)o1 748341758 MMOFHGMQOYKXOU-HNNXBMFYSA-N 463.472 -0.571 50 20 JBGD CN(CC(=O)N1CCO[C@]2(CCN(C(=O)CCc3nc(N)n[nH]3)C2)C1)NC(=O)NCc1ccccc1 1778855064 NFUFOHGBBYNHCD-QHCPKHFHSA-N 499.576 -0.504 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C[C@](C)(O)CC(=O)O)C1 1782208842 NIBQHBPWNDNOKV-GQWLDOHISA-N 456.540 -0.511 50 20 JBGD C[C@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCC(=O)NN(C)C)C1)[C@@H]1SC(=N)NC1=O 1782211832 ALDGHTXSCAUYHT-QCBOUXAHSA-N 482.607 -0.324 50 20 JBGD C[C@@H](Oc1cccnc1)C(=O)N1CC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1784547645 NFJKRTRAVNSSSS-IVZQSRNASA-N 454.487 -0.009 50 20 JBGD O=C(/C=N/O[C@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1788658391 QRQVDXIVPZNLSR-NWYPOARBSA-N 459.308 -0.511 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(N3CCOCC3)cn1)C2)c1ccc(B(O)O)cc1 1795732545 SSJKQTRKUIPNJB-OPMZPASUSA-N 480.330 -0.885 50 20 JBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncn(-c3ccccc3)n1)C2 1801011098 AZLIKMPGASEDQW-CWPLJXCYSA-N 455.519 -0.157 50 20 JBGD O=C(CN1CCS(=O)(=O)CC1)NC[C@@H]1CCN(C(=O)[C@H](O)CCl)[C@@H]1c1cccnc1 1804193124 UIVMHKJSMOYHEF-LZLYRXPVSA-N 458.968 -0.583 50 20 JBGD O=C(NC[C@@H]1CCN(C(=O)CN2C(=O)C=CC2=O)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807364507 FVTIJROEEVVXQN-HTAPYJJXSA-N 462.271 -0.994 50 20 JBGD CC[C@H](NC(N)=O)C(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807374692 HKGHMWCTFZTQBB-NEWSRXKRSA-N 453.308 -0.472 50 20 JBGD CCNC(=O)N[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1810236323 COEIKPKJFVRZHC-ZTNFWEORSA-N 467.335 -0.211 50 20 JBGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1)c1cc(CO)on1 1811589843 KYUIPNZPAKVKKL-JXFKEZNVSA-N 450.260 -0.125 50 20 JBGD O=C1NC(=O)[C@H](CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)N1 1825070229 AUWSTXPRMDPWPO-ZWKOTPCHSA-N 456.308 -0.802 50 20 JBGD O=C([C@H](O)CCl)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC(c4ccccc4)=NN3)C2)C1 1830736759 WOTZXKAWFUOQEG-OPYAIIAOSA-N 450.923 -0.191 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3noc(C)n3)CCO2)C1 1832926161 DSGIQTGHCHQPCA-GQBLCDNYSA-N 473.490 -0.489 50 20 JBGD COc1ncccc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1834129430 VTXDDSDYJLCJHU-QFIPXVFZSA-N 455.276 -0.846 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)c1ccnc(Cl)c1)CCO2 1834179416 ICFQMPMRJWOPEY-NRFANRHFSA-N 459.695 -0.201 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1)c1cccc(O)n1 1834198111 LOEPZZFPLLREEV-UHFFFAOYSA-N 452.320 -0.034 50 20 JBGD Cc1cncc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)c1 1835927191 LEGXMJFRXOIBDP-DEOSSOPVSA-N 467.331 -0.227 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)c3nnc(-c4ccccc4)o3)C2)C1 1835930633 QXBJSBOVPLNDKJ-XMMPIXPASA-N 492.297 -0.200 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])cc3F)C2)C1 1835932241 VWDXRKTVFSEERS-QFIPXVFZSA-N 487.249 -0.203 50 20 JBGD CCN(CC)C[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835932281 XTGNKHQYXTXSKI-WZONZLPQSA-N 461.368 -0.586 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1c[nH]c3cnccc13)CCO2 1837176143 YLDMFSLCVCSTOJ-HSZRJFAPSA-N 464.287 -0.374 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(F)cn3)C2)C1 1837457761 QBXVFKUOWQEMNX-QFIPXVFZSA-N 472.477 -0.468 50 20 JBGD C[C@H](Oc1ccccn1)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837460412 FXNUCJBCPHNBGZ-QMHKHESXSA-N 484.513 -0.382 50 20 JBGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)NC(=O)c3cnccn3)CCO2)C1 1837610671 WWROMECWHYXGNH-MDOVXXIYSA-N 469.926 -0.695 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccn(C(F)F)c1=O)CCO2 1837770283 YGKGAFMSQBVYNE-JOCHJYFZSA-N 491.256 -0.693 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCCS1(=O)=O)CCO2 1839781783 FCWQMAQKDBQPJO-NYYYDFRBSA-N 495.558 -0.846 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840040860 BIBVLMQZJUZVKH-XOBRGWDASA-N 473.910 -0.337 50 20 JBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(N4CCN(C)CC4)CC3)C2)C1 1840154042 IWHANABZJBYTEX-PXNSSMCTSA-N 458.987 -0.523 50 20 JBGD COC(=O)CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1840235736 LGJAETXVWXLMQJ-HSZRJFAPSA-N 476.335 -0.440 50 20 JBGD CC(C)(C)OC(=O)N1C[C@H](C(=O)N2CC3(CCCN3C(=O)c3cnccc3C(=O)NN)C2)[C@@H](O)C1 1844264893 VYYKPJZQYUQQMS-IRXDYDNUSA-N 488.545 -0.270 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1CCc2nc(O)nc(O)c2C1 1848213476 CVHQWJDDHHXUAL-KKXDTOCCSA-N 452.276 -0.812 50 20 JBGD CCN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)NNC(=O)[C@H]3CCS(=O)(=O)C3)c2)CC1 728371434 IXULPMSXJZRKOQ-ZDUSSCGKSA-N 493.007 -0.138 50 20 JBGD COC(=O)c1c(S(=O)(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)n[nH]c1C 912520637 FENNABXQCDJGQL-UHFFFAOYSA-N 487.516 -0.851 50 20 JBGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)CCN1CCCS1(=O)=O 918212620 PCHUSPYYQKRGRW-UHFFFAOYSA-N 488.588 -0.787 50 20 JBGD CC(=O)N[C@@H](Cc1cccc(F)c1)C(=O)N1CC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1785454083 JJMFCVHTVCFMHP-WIOPSUGQSA-N 497.332 -0.304 50 20 JBGD COc1ccc(OCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)cc1 1792725256 NNAONLBMJFBWPN-USGNIVHTSA-N 469.498 -0.024 50 20 JBGD CC(C)(C)OC(=O)N1CCO[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](O)CCl)C1 1792975255 OVCRLLZEBDVXRR-DGADGQDISA-N 461.943 -0.188 50 20 JBGD C[C@H](CNC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795733070 ZXSWNIQZGDCZBC-VYCZESIESA-N 475.351 -0.270 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1C[C@@]13C(=O)Nc1ccccc13)C2)c1ccc(B(O)O)cc1 1795736840 LWRRJCLBYJGFPR-ZEJMQVLBSA-N 475.310 -0.520 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(=O)n3[nH]nnc3n1)C2 1796892315 WMSDTLSTAFAJBO-PNEZKNQNSA-N 466.462 -0.802 50 20 JBGD COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)n1 1797750614 MUUMXODGQHRPQN-DPIQGUFMSA-N 485.457 -0.486 50 20 JBGD CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](O)CCl)C3)C1 1801051921 UGLCPHNPGWRNGD-MTCCJSQRSA-N 461.943 -0.452 50 20 JBGD O=C(CN1CCOCC1)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1806904776 VSENSBBMYKREJS-SIKLNZKXSA-N 452.320 -0.587 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H](CNC(=O)CC[C@H](N)C(N)=O)[C@@H]1c1cccnc1 1807192943 YUDUADVKZZBONF-RWJOSRSFSA-N 482.545 -0.186 50 20 JBGD O=C(NC[C@H]1CCN(C(=O)Cn2ccccc2=O)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807371095 PLSFWSHXFNOGJN-AUSIDOKSSA-N 460.299 -0.057 50 20 JBGD CC(=O)N(C)[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807373872 CXXKFKCRVXKVEN-QFIXIFRTSA-N 452.320 -0.052 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1 1817474580 FEKNTRQQAAHLPY-KRWDZBQOSA-N 456.312 -0.232 50 20 JBGD O=C([C@@H](O)N1CCOCC1)N1CCC([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827057993 OWNBXIKZTQIICR-NFBKMPQASA-N 459.352 -0.750 50 20 JBGD O=C1CSc2ncc(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)[C@H](O)CCl)CCO4)cc2N1 1830735832 OEORRZIZHQGVKV-AUUYWEPGSA-N 470.935 -0.205 50 20 JBGD C[C@@H](Cn1cccn1)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1833203953 UVQVCJRMINNPOQ-UWJYYQICSA-N 450.540 -0.651 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)[C@H](O)CCl)CC2)CC1)c1cc2n(n1)CCNC2=O 1834326532 GNNQLRZGUODOCP-QGZVFWFLSA-N 452.943 -0.589 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](CN)c1ccccc1)CCO2 1835822846 LLRNMGVGGANYCU-CVDCTZTESA-N 461.563 -0.442 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)C3CCC(CO)CC3)C2)C1 1835934122 OOVKQWMMAUUCCK-QPFKGPCDSA-N 460.336 -0.765 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1cnc3snnc3c1)CCO2 1838510537 ZFFSKROBBMTTSX-OAQYLSRUSA-N 483.315 -0.850 50 20 JBGD CCc1ncsc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1838837147 DJNBECLYFCEJKD-NRFANRHFSA-N 459.333 -0.231 50 20 JBGD O=C(Cc1c(F)cccc1F)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1838994619 OEDMIFFGNPHDAZ-QHCPKHFHSA-N 474.269 -0.043 50 20 JBGD O=C(CS(=O)(=O)N1CCCC1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839200336 GCTXMDCDWWAQOE-GOEBONIOSA-N 486.360 -0.441 50 20 JBGD COC(=O)[C@@H]1CC=CC[C@H]1C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840185042 KARVGVLHSVAYGB-PNCHPQGNSA-N 480.562 -0.429 50 20 JBGD CSCC[C@H](NC(=O)COc1ccccc1)C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 919885239 KYLWQEXOQVSZSA-HIFRSBDPSA-N 458.562 -0.179 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CCc4nc(O)nc(O)c4C3)[C@H]2C1 1785332821 UXDBAFCDYWYGIR-OAOQPFQOSA-N 490.561 -0.655 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COc3cccnn3)C[C@@H]21 1787508213 QJDRRRXAXOEYMN-GZERKGCBSA-N 469.502 -0.031 50 20 JBGD O=C(/C=C/C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)NCc1ccccc1 1792940523 RFDLLQQITOFSMZ-WXKDIYIQSA-N 477.326 -0.558 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]c3c1CCc1ncccc1-3)C2)c1ccc(B(O)O)cc1 1795735294 WRKMXGWUMZTGCV-VPTLXERWSA-N 487.325 -0.233 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nnc(-c3ccccc3)o1)C2)c1cccc(B(O)O)c1 1795739259 XOEPMVGHSXYFNR-IZZQQSIFSA-N 462.271 -0.067 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C(=O)O)ncn1)C2 1796441306 WSOCBQLKMOJKDI-IZJYNLIKSA-N 469.458 -0.488 50 20 JBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1ccc(O)nn1)C2 1797753898 KORJWGQOPWRQME-DBWKPXFBSA-N 455.475 -0.983 50 20 JBGD Cc1onc(-c2ccncn2)c1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1798488655 WZVNZYGQKWQFAK-CWPLJXCYSA-N 477.286 -0.363 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1798522412 WGQYWNQMHMYZGI-VPTLXERWSA-N 497.269 -0.283 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)[C@@H]1CC(c2ccccc2)=NN1 1800152638 YUKVKQDDUQBMEI-UDKICSLYSA-N 462.315 -0.664 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1ccc(O)nn1 1800179111 FADXIZZYSXEPKH-DBWKPXFBSA-N 455.475 -0.983 50 20 JBGD O=C(NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1)c1cccc(=O)n1O 1804949006 IYJJIMIBZUCLCC-UTKZUKDTSA-N 462.271 -0.206 50 20 JBGD Nc1n[nH]c(CCC(=O)N2CC[C@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)n1 1807362460 VOOIMZALGKTUDR-OXQOHEQNSA-N 463.307 -0.586 50 20 JBGD CS(=O)(=O)CCC(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807375197 QBLLHTDETPMAGH-FXAWDEMLSA-N 459.333 -0.484 50 20 JBGD O=C(NC[C@@H]1CCN(C(=O)c2cc(=O)nc3cccnn23)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807375301 NWVJCGVPXFPUEQ-FDDCHVKYSA-N 498.308 -0.202 50 20 JBGD CS(=O)(=O)N1CCC(C(=O)N2CCC3(CCCN(C(=O)c4ccc(B(O)O)cc4)C3)CC2)CC1 1809971850 ABSYAJAOLWTBRS-UHFFFAOYSA-N 491.419 -0.117 50 20 JBGD CC(=O)OC[C@H](OC(C)=O)C(=O)N1CC[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1813074089 QQQLLNNSEPZONR-IPJJNNNSSA-N 491.545 -0.045 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)C1(c3ccc(O)cc3)CC1)CCO2 1830808766 QJKVOJQKSPPJNY-XMMPIXPASA-N 480.326 -0.126 50 20 JBGD CC[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1)N(CC)CC 1831670298 LNPMFCBMTIGJFZ-XXBNENTESA-N 476.578 -0.125 50 20 JBGD CCC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCS(=O)(=O)CC3)CCO2)C1 1832483873 TVSQONAGQRIBRO-APWZRJJASA-N 466.000 -0.419 50 20 JBGD Cc1nc(CC(=O)N2CCC(N3CCC(NC(=O)c4ccc(B(O)O)cc4)CC3)CC2)no1 1834797494 OPAPKADBARNRNI-UHFFFAOYSA-N 455.324 -0.514 50 20 JBGD C[C@H](Nc1cnccn1)C(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834798641 SYLIPILHQICOLZ-KRWDZBQOSA-N 480.378 -0.158 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCC(N2CCC(NC(=O)c3cnc(O)nc3O)CC2)CC1 1835070486 VTHZJHJDQZMMDC-UHFFFAOYSA-N 484.517 -0.615 50 20 JBGD COCc1c[nH]c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)c1 1837460006 QLDMJDNKHNUIBX-QFIPXVFZSA-N 472.502 -0.457 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cnccn3)C2)C1 1837460345 BXVFRYPGUGDFRU-QFIPXVFZSA-N 469.502 -0.822 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1C[C@H](O)CN1)CCO2 1839078894 KXZZTTKLPDJMNN-ZJBJCVSYSA-N 492.485 -0.687 50 20 JBGD C[C@@H](Cn1ccnc1)C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840185504 RFPRKJFVMOXQLW-UWJYYQICSA-N 450.540 -0.651 50 20 JBGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)Cn2cnc3c(cnn3C)c2=O)c1 11331100 IUSDWJRKTZVFCL-UHFFFAOYSA-N 461.504 -0.378 50 20 JBGD CNC(=O)CN1CCC(NC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)CC1 916516953 QCBLUNKIGLOSRK-UHFFFAOYSA-N 466.564 -0.375 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779065250 QIWBIGXPWDUZOQ-QHCPKHFHSA-N 455.515 -0.173 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CCNC(=O)c3ccc[nH]3)C[C@@H]21)c1cccc(B(O)O)c1 1786984395 CQVLDPYIXUBBCY-QRFRQXIXSA-N 468.319 -0.892 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1ccc2nc(CO)[nH]c2c1 1787871474 FQZCQWGOSZUYCZ-MDKPJZGXSA-N 478.314 -0.358 50 20 JBGD COC[C@@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc4n(n3)CCCNC4=O)[C@H]2C1 1788258824 XWMDKWBFNVQNBQ-ZJOBFFGXSA-N 453.927 -0.136 50 20 JBGD CN(C)c1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)cn1 1798263365 VNDUCLOCCOWQJB-CCWDJLKJSA-N 453.503 -0.337 50 20 JBGD N#C/C(=C\c1ccc(F)cc1F)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN(CCO)CCO 1800581547 HWNSHPJUEQQELE-BDCURPAKSA-N 478.496 -0.252 50 20 JBGD COc1ccc(COCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)cc1 1801106832 JRBSJIKWXBGTFY-BBIADKPPSA-N 468.315 -0.205 50 20 JBGD CN(CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2)NC(=O)NCc1ccccc1 1830733948 XEZSJFULWYOAGD-AVRDEDQJSA-N 497.980 -0.611 50 20 JBGD O=C(c1cnc2[nH]ncc2c1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835930712 VUEVUHAHBAEXPK-JOCHJYFZSA-N 465.275 -0.979 50 20 JBGD CC(=O)Nc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)cc1O 1839472888 WUWDAXCJNALOEI-DEOSSOPVSA-N 497.313 -0.586 50 20 JBGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)N3CCN(C)CC3)C2)C1 1840034787 XJTMGBICBHQBOK-FRQCXROJSA-N 461.401 -0.138 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cccc(B(O)O)c1 1847639449 MSHDMQBNEHYOEN-BZSNNMDCSA-N 461.324 -0.543 50 20 JBGD O=C(CNC(=O)c1ccco1)NNC(=O)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 725871756 GCLDLIDCHJVUMP-UHFFFAOYSA-N 460.472 -0.483 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CC[C@@H]3CCC(=O)N3C1)CCO2 1779032585 NTGNWJBBKMMXLG-LNPFQXMTSA-N 470.530 -0.470 50 20 JBGD COCCOCCOCCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCC(=O)NN(C)C)C1 1782214397 PSNMSAYQEPNDTB-AUSIDOKSSA-N 486.610 -0.057 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC[C@@H](N)C(N)=O)[C@H]2C1 1786890104 KFSIURVBGLVWMN-KUZCPNRJSA-N 491.501 -0.294 50 20 JBGD COC[C@@H](NC(C)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C[C@@H]21 1788773937 MNXGKEQCPCMGJA-RYIMVOQJSA-N 476.534 -0.749 50 20 JBGD CC(=O)Nc1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)n1 1795732470 JLFCBOPRHMJMLR-CWPLJXCYSA-N 452.276 -0.763 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1[nH]cnc1-c1cccnc1)C2)c1cccc(B(O)O)c1 1795740176 ABPDQOUVUKQOBQ-IZZQQSIFSA-N 461.287 -0.332 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCN(C)CC1)C2 1798524974 UDTXCWSWZKZUGZ-FAQVEIGNSA-N 489.529 -0.029 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)c2cc(=O)n3[nH]cnc3n2)[C@@H]1c1cccnc1 1807359401 UGNFVEBHZJQBCK-QRWLVFNGSA-N 481.517 -0.495 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H](CNC(=O)[C@H]2CCCS2(=O)=O)[C@@H]1c1cccnc1 1812496725 LPWUKVHSCNMMEM-LZQZEXGQSA-N 486.554 -0.023 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)CN2C(=O)C=CC2=O)[C@H]1c1cccnc1 1813072883 GQDYJRGQSXWAJZ-AOMKIAJQSA-N 456.503 -0.615 50 20 JBGD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(=O)n3[nH]cnc3n1)CC2)c1ccc(B(O)O)cc1 1815339378 BTXXPUGGLDSLBG-LBPRGKRZSA-N 479.287 -0.907 50 20 JBGD CCC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCS(=O)(=O)CC3)C2)C1 1831640543 NJMXTDBWNHXWKQ-VQIMIIECSA-N 466.000 -0.419 50 20 JBGD Cn1ncc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)c1C(F)(F)F 1833326044 BDPXIQKBOMYISY-HXUWFJFHSA-N 496.251 -0.498 50 20 JBGD O=C(CCBr)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4c3CS(=O)(=O)C4)C2)C1 1834822614 XWCVQFUNYBIXHW-QGZVFWFLSA-N 491.364 -0.307 50 20 JBGD O=C(Cc1ccc(F)c(F)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835929403 OCDKUNGDANIGTM-HSZRJFAPSA-N 474.269 -0.043 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc3nncn3c1)CCO2 1837014779 FEYPZJYHPZHZFL-VUEBRRCKSA-N 494.512 -0.067 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)COc1cc(Cl)ccn1)CCO2 1837655557 OBMPUUJFKAGLPR-OAQYLSRUSA-N 483.953 -0.057 50 20 JBGD C=CC(=O)N[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1837919105 FDMFBLBONCYEHN-INIZCTEOSA-N 457.336 -0.331 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CNC(=O)O3)C2)C1 1838527437 SKSQDQBUCUTQSF-LAUBAEHRSA-N 492.441 -0.302 50 20 JBGD NC(=O)c1ccc(/C=C\C(=O)N2CCC[C@H]2C(=O)NNC(=O)CNC(=O)c2ccco2)cc1 751203337 MFNRURVVKPLCDB-BJIFSAINSA-N 453.455 -0.040 50 20 JBGD NC(=O)CC[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)N1CC[C@@H](B(O)O)C1 864230996 IIDQMEIONVIVDS-DGCLKSJQSA-N 451.232 -0.307 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CC[C@@H]4CCC(=O)N4C3)C2)C1 1781055119 QJUVCZWJRXAYIB-PXAQALGRSA-N 470.530 -0.470 50 20 JBGD CN(CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CNC(N)=O)C1)NC(=O)NCc1ccccc1 1783288293 FNCGXUMDJADAQH-WZONZLPQSA-N 489.577 -0.485 50 20 JBGD CC(=O)O[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21)C(C)C 1788478171 ICZPTIKMNGHJHD-QZHFEQFPSA-N 461.519 -0.134 50 20 JBGD Cc1nccn1CCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1791569118 SZSVFHZCUYOQEN-JBACZVJFSA-N 454.336 -0.055 50 20 JBGD O=C(CCNC(=O)c1ccccc1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1792120882 VPLUKLQLUUPFGP-BVSLBCMMSA-N 479.342 -0.220 50 20 JBGD CN(C)c1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)c1 1795735021 JGVTXSLOSRSYPS-VPTLXERWSA-N 482.302 -0.142 50 20 JBGD C[C@@H](NC(=O)c1ccccc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795741196 OUJLAYHYMQPBKE-KBMWQNTOSA-N 465.315 -0.612 50 20 JBGD COC(=O)N(CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)Cc1ccccc1 1800853086 WXTZUGMNQZQTKS-JHDGKUDLSA-N 495.341 -0.162 50 20 JBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CN(Cc3ccccc3)CCO1)C2 1801011669 VOUCSQJAMWHACK-OOICKAIWSA-N 487.601 -0.150 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H](CNC(=O)[C@@H]2CCC(=O)N2)[C@@H]1c1cccnc1 1806636591 RKGUOJMPKBKWDF-LJHODMEESA-N 451.487 -0.322 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1CCN(C(=O)CCN2C(=O)C=CC2=O)[C@H]1c1cccnc1 1810295710 VUFRGHGWIHKKPQ-AOMKIAJQSA-N 491.508 -0.285 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H](CNC(=O)c2c[nH]c(=O)cn2)[C@H]1c1cccnc1 1811449462 OKPPRZICYIBDRZ-AUUYWEPGSA-N 462.470 -0.203 50 20 JBGD CCS(=O)(=O)CC(=O)N1CC[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1 1813067770 DBJYMCWQAJFEBE-OXJNMPFZSA-N 453.565 -0.105 50 20 JBGD C[C@@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3C(=O)C=CC3=O)C2)C1 1830543894 GZEYLNKTSWCHRM-SCLBCKFNSA-N 458.309 -0.601 50 20 JBGD CC(C)(C)OC(=O)N[C@H](CCO)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](O)CCl)CCO2)C1 1830719815 LIKDPADNCBMBBE-SXGZJXTBSA-N 479.958 -0.682 50 20 JBGD Cc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)n(-c2cccc(=O)n2C)n1 1830722343 AMPFWJULBJPOJU-HTAPYJJXSA-N 493.948 -0.451 50 20 JBGD COCCOCCOCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830738635 RASIUGGECMSOSL-VQIMIIECSA-N 452.932 -0.888 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cncn3)C2)C1 1832549269 KSFBAQXNAREORN-YWZLYKJASA-N 486.957 -0.133 50 20 JBGD CC(=O)N1CCN(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@](C)(Cl)CCl)C3)C2)CC1 1836767654 OFYAWWCTWJRYBS-VQTJNVASSA-N 479.405 -0.157 50 20 JBGD Cc1cc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)n[nH]1 1837459657 VFWOKOJCHCWSES-NRFANRHFSA-N 457.491 -0.971 50 20 JBGD C[Si](C)(C)OCC(=O)N1CCO[C@@]2(COCCN(C(=O)CS(=O)(=O)N3CCCC3)C2)C1 1837711634 MFASMLWQKSPSGV-IBGZPJMESA-N 477.656 -0.280 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)COCCO)CCO2)C1 1839192806 PLEBHTZRDOCHKG-MGPUTAFESA-N 479.958 -0.416 50 20 JBGD COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1840143978 KETBHLNPRGHRCV-IXFSTUDKSA-N 480.562 -0.429 50 20 JBGD Cc1cnn([C@@H](C)C(=O)N2CCO[C@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)c1 1840406968 COJYEGPXXSKNAF-UWJYYQICSA-N 450.540 -0.418 50 20 JBGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=S)NCCCN1CCOCC1 916112835 YCMYWQDCBWBDQD-UHFFFAOYSA-N 499.659 -0.142 50 20 JBGD COc1ccc(S(=O)(=O)N2CCC(C(=O)NNC(=O)CN3CCCC3=O)CC2)cc1OC 920826681 QVYCOPSCWKIYPD-UHFFFAOYSA-N 468.532 -0.126 50 20 JBGD CC(=O)Nc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)o1 1779032196 LOGUBHDKYIFMFA-OAQYLSRUSA-N 456.459 -0.006 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)c3cc(=O)nc4sccn34)C2)C1 1779949614 YQQBBTDUADGLLM-NRFANRHFSA-N 468.300 -0.807 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1ON=C(c3ccccc3)O1)CCO2 1783934324 DQHLRULYTUWNMQ-YADHBBJMSA-N 459.503 -0.076 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)COCCNC(=O)OC(C)(C)C)CCO2 1783935576 VVGMGQIMNSKPDV-JOCHJYFZSA-N 485.582 -0.269 50 20 JBGD COc1cnc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)c(F)c1 1785736582 HSCRSGZZUZSRMO-FNHZYXHNSA-N 457.267 -0.184 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(N4CCOCC4)cn3)C[C@@H]21)c1cccc(B(O)O)c1 1786984669 XGFNYMWAYIJTTJ-HARLFGEKSA-N 494.357 -0.495 50 20 JBGD COC(=O)[C@@H]1CC[C@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cnccc4C(=O)NN)[C@H]3C2)C1 1788607944 YDNPGURJPMBVFO-HZMZCJTDSA-N 473.530 -0.132 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1cccnn1)C2 1796446024 JZABMYZAPWGDEW-IHHIPJHASA-N 455.475 -0.421 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc2c1OCCO2 1796963112 PDPLUWAPCIPGCB-HBCWATKFSA-N 467.482 -0.027 50 20 JBGD C[C@](O)(CC(=O)O)CC(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807374730 LYYNBEZPXMIWIF-ODOSVJCGSA-N 469.303 -0.303 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)Cn1cnnn1)CC2 1817279827 HTYOOJFGPMTISN-QPDIMOPTSA-N 456.492 -0.124 50 20 JBGD CN[C@H](CC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cnccc2C(=O)NN)CC1)C(=O)O 1826944770 CQZUNVGQPXKRJG-MSOLQXFVSA-N 460.535 -0.019 50 20 JBGD CCOc1ncccc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1829539474 AXCNOEPEJYGUCG-QHCPKHFHSA-N 469.303 -0.456 50 20 JBGD Cc1nn(C)cc1C(=O)NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1833582006 NLUQKLBAYHHPGW-UHFFFAOYSA-N 453.352 -0.093 50 20 JBGD O=C(CN1CCS(=O)(=O)CC1)NC1CCN(C2CCN(C(=O)[C@H](F)Br)CC2)CC1 1833714163 KJLSYVFFCVQBNI-KRWDZBQOSA-N 497.431 -0.021 50 20 JBGD COc1cc(C(=O)NC2CCN(C3CCN(C(=O)c4ccc(B(O)O)cc4)CC3)CC2)n(C)n1 1833953161 OBHAAAFHLNNWCI-UHFFFAOYSA-N 469.351 -0.393 50 20 JBGD COc1nccnc1C(=O)N1CCC(N2CCC(NC(=O)c3cccc(B(O)O)c3)CC2)CC1 1834799859 INNFAROWHVPTCC-UHFFFAOYSA-N 467.335 -0.336 50 20 JBGD Cc1onc(C(=O)N2CCOC[C@]3(CN(C(=O)c4cnccc4C(=O)NN)CCO3)C2)c1C 1837455633 AZHPXSFACRTBBL-NRFANRHFSA-N 458.475 -0.326 50 20 JBGD Cc1cn(CC(=O)N2CCOC[C@]3(CN(C(=O)CO[Si](C)(C)C)CCO3)C2)c(=O)nc1O 1837718099 XNUIIPGRJGZJDL-HXUWFJFHSA-N 468.583 -0.435 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CNC(=O)C3)C2)C1 1838528253 MVTBLIRTCKWKLA-QRQCRPRQSA-N 490.469 -0.274 50 20 JBGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cn4c(nc3=O)SCC4)CCO2)C1 1839044774 XHZSIPTYJMQAFD-FOIQADDNSA-N 486.978 -0.398 50 20 JBGD CN1CCN(C2(C(=O)N3CCOC[C@]4(CN(C(=O)[C@H](F)Br)CCO4)C3)CC2)CC1 1839201613 COEYYIPDOHDWRB-YJBOKZPZSA-N 477.375 -0.087 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1[C@H]3SC=C[C@H]31)CCO2 1839697442 VRDYAQGYESAQPL-CCFTVXDOSA-N 459.528 -0.370 50 20 JBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCc4nc(O)nc(O)c4C3)C2)C1 1840150676 OURJNRFLVBCQKZ-YHQOMNDMSA-N 484.937 -0.297 50 20 JBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)[C@H]3SC(=N)NC3=O)C2)C1 1840152462 JAZLCKVLIFZUPF-WLHTULFXSA-N 462.956 -0.501 50 20 JBGD COC(=O)CCCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCC(=O)NN(C)C)CCO2 1840186052 XDTLEUPBSJOUKV-QFIPXVFZSA-N 470.567 -0.061 50 20 JBGD Cc1nc(S(=O)(=O)NCCC(=O)NNc2ccc(S(=O)(=O)NC3CC3)cc2)cn1C 728210928 AQVQCZAJTDDZMU-UHFFFAOYSA-N 456.550 -0.019 50 20 JBGD O=C(c1nc2c(=O)[nH]c3ccccc3n2n1)N1CC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1778053217 KUERXKXGKRIXBV-VBKZILBWSA-N 460.878 -0.386 50 20 JBGD Cc1nc[nH]c1CSCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1778909530 QZXFDRRORUDNCQ-OAQYLSRUSA-N 458.349 -0.225 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)c3ccc4nc(CO)[nH]c4c3)CCO2)C1 1779030186 IJHGKMSSOFCTEV-HSZRJFAPSA-N 479.497 -0.189 50 20 JBGD O=C(O)c1cnncc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2 1779692252 UUVJJASZGGUYDJ-XMSQKQJNSA-N 468.275 -0.704 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(N4C(=O)C=CC4=O)cc3)C2)C1 1785225868 ZAXUTEFTQRGRIM-DEOSSOPVSA-N 483.525 -0.068 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)Cc3ccccc3)C[C@@H]21)c1cccc(B(O)O)c1 1786985000 IISGQDSMBGOKFB-QESAQDPVSA-N 452.316 -0.437 50 20 JBGD COC(=O)[C@H]1CCC[C@@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)C1 1786986431 AUKMGNVGNPFWIU-JOTVOLILSA-N 472.347 -0.061 50 20 JBGD C[C@](Cl)(CCl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCS(=O)(=O)CC3)C[C@@H]21 1789868312 BBMFLZRGMBNAKM-XSWJXKHESA-N 470.419 -0.067 50 20 JBGD O=C(/C=C/C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)NCc1ccco1 1797891754 ANVGQDIVXGRIBW-PHFADZCDSA-N 467.287 -0.965 50 20 JBGD CN1CCCn2nc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)CCC(=O)NN(C)C)C4)cc2C1 1800131234 YJWMRVKHLBMJIR-VPTLXERWSA-N 461.567 -0.705 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H](CNC(=O)C[C@H]2NC(=O)NC2=O)[C@H]1c1cccnc1 1804342851 FCYDFFWIQVTGSK-CNCYRMMRSA-N 494.512 -0.181 50 20 JBGD O=C(NC[C@@H]1CCN(C(=O)c2cccc(=O)n2O)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807369293 FCBQMFDNMROQAM-UWJYYQICSA-N 462.271 -0.206 50 20 JBGD NC(=O)c1ncccc1C(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807369580 PBBXDWABGIIKDK-UTKZUKDTSA-N 473.298 -0.111 50 20 JBGD Cc1cn(CC(=O)N2CCC3(CCCN(C(=O)c4ccc(B(O)O)cc4)C3)CC2)c(=O)nc1O 1809973025 VYSKZXOPLCERJB-UHFFFAOYSA-N 468.319 -0.518 50 20 JBGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1n[nH]c3c1CS(=O)(=O)C3)CC2 1826085421 SGMGQTZXRBXVFX-JTQLQIEISA-N 495.587 -0.107 50 20 JBGD COc1cc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)ccn1 1832600982 PWKQXZDTFCNCHH-QHCPKHFHSA-N 477.562 -0.148 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)[C@@H](O)CCl)CC2)CC1)c1cc2n(n1)CCNC2=O 1834326531 GNNQLRZGUODOCP-KRWDZBQOSA-N 452.943 -0.589 50 20 JBGD COc1ncc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)cc1C 1835929192 GKERUVXCGVKYKS-QHCPKHFHSA-N 469.303 -0.538 50 20 JBGD Cc1nc(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)sc1C 1835931598 SFWNPMQCKZSUCI-NRFANRHFSA-N 459.333 -0.176 50 20 JBGD COc1cc(F)ccc1CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835941135 IQAAGUJWTQNMGA-DEOSSOPVSA-N 486.305 -0.173 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCC(OC2CCN(C(=O)c3cc(O)ncn3)CC2)CC1 1836938896 HBTGSYXPXIWNMS-UHFFFAOYSA-N 454.292 -0.212 50 20 JBGD COc1cccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)n1 1837456936 QCZLXKSLZCRCSC-QHCPKHFHSA-N 484.513 -0.599 50 20 JBGD CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837459516 HGQXFKQUYPTTKV-YCRPNKLZSA-N 462.507 -0.444 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4ncnn4c3)C2)C1 1837459650 VDVXYIUKSHCTKQ-QFIPXVFZSA-N 480.485 -0.888 50 20 JBGD COc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)c(O)c1 1838890285 OSVVUYAROJUGAI-JOCHJYFZSA-N 464.519 -0.156 50 20 JBGD CC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CS(=O)(=O)N3CCCC3)C2)C1 1839144933 OOVWYHNJSPTABE-MAUKXSAKSA-N 451.973 -0.114 50 20 JBGD CCS(=O)(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](F)Br)CCO2)C1 1839198603 KDZPSPNZYKXBBB-XUJVJEKNSA-N 474.349 -0.539 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)CC34CCCN3CCC4)C2)C1 1840185391 PXWXJBQRRMQLIZ-HSZRJFAPSA-N 465.595 -0.166 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1840185919 WKEUNJNNZXMKBK-IOFJYKPDSA-N 469.539 -0.655 50 20 JBGD C[C@H](Cc1ccco1)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1840469611 QTIVVGFBCYXYML-HXOBKFHXSA-N 456.304 -0.092 50 20 JBGD C#CCNS(=O)(=O)c1cccc(C(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)c1 17407235 NAVUFRHHVQDKSG-UHFFFAOYSA-N 478.552 -0.012 50 20 JBGD Cc1nc(S(=O)(=O)NCCC(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)cn1C 725878300 RPCCBARXHXYFBP-UHFFFAOYSA-N 477.591 -0.243 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](N)Cc1cscn1)CCO2 1779030468 QTAMRRWOQOHTAL-JXFKEZNVSA-N 459.532 -0.845 50 20 JBGD Cc1nn2cc(CC(=O)N3CCO[C@]4(CCN(C(=O)CCC(=O)NN(C)C)C4)C3)nc2s1 1783933005 AGWAVRNTLICBSV-FQEVSTJZSA-N 463.564 -0.155 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)Cc1cn3c(nc1=O)SCC3)CCO2 1783934199 AFDNDDLSQPRXKD-NRFANRHFSA-N 478.575 -0.906 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc(=O)nc3sccn13)CCO2 1783934870 ITYRJGORAJYLSC-HXUWFJFHSA-N 462.532 -0.428 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3CCc4nc[nH]c4C3)C2)C1 1784352419 SKCSBDUXPUGOMB-RCDICMHDSA-N 453.503 -0.343 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCc3nc(N)n[nH]3)[C@H]2C1 1788505637 SVBQRQKCTVCCIG-MIFGEAQISA-N 471.522 -0.567 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(C(=O)O)ncn3)C[C@@H]21 1788611447 CHPXGOLCBWCSPZ-YLVFBTJISA-N 469.458 -0.920 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1ccc(CO)c(F)c1 1792090639 SJINOIXWCINHNP-CUWPLCDZSA-N 456.279 -0.095 50 20 JBGD CC(C)(C)OC(=O)N1CC[C@@H]2C[C@@]21C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795736881 PAUKPWQKIAZORR-SDMFYXEBSA-N 499.373 -0.031 50 20 JBGD CC(C)(C)c1cnc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)cn1 1796757835 VPZBQNOUDVQITO-CWPLJXCYSA-N 452.320 -0.029 50 20 JBGD CC(=O)N[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1ccc(F)cc1 1799053480 QUTSDAWCZTWEDR-UDKICSLYSA-N 483.305 -0.414 50 20 JBGD C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)N(C)C(=O)OC(C)(C)C 1799134260 BOMFHNMUWCAFCF-VYCZESIESA-N 475.351 -0.175 50 20 JBGD CCNC(=S)NCC(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807372434 FNMRAPBJGJXJIP-FXAWDEMLSA-N 469.376 -0.435 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)CS(C)(=O)=O)CCO2 1831455777 CCDKESMDCBIONR-XDNDIKTDSA-N 497.574 -0.743 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)COCCO)C2)C1 1832551603 QCKCFQIEXGCNMA-MGPUTAFESA-N 479.958 -0.416 50 20 JBGD COc1ncc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)cc1C 1834576697 DJWIPOOULZQBED-QHCPKHFHSA-N 469.303 -0.538 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCCCC3)CCO2)C1 1835376924 MMLNVONTIWHBTJ-JOCHJYFZSA-N 460.535 -0.759 50 20 JBGD CCOc1ncccc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835925957 DFUUCFSHUJQCIB-HSZRJFAPSA-N 469.303 -0.456 50 20 JBGD COC(=O)c1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)c(C)c1 1835941772 OXIARWHXXVIUOR-VWLOTQADSA-N 496.325 -0.155 50 20 JBGD COc1nccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)c1F 1836236383 RBIVOWNBRDSRGS-QFIPXVFZSA-N 473.266 -0.707 50 20 JBGD Cc1nc(CC(=O)N2CCC(OC3CCN(C(=O)c4ccc(B(O)O)cc4)CC3)CC2)no1 1837155065 TUOKVIGGBPYJNI-UHFFFAOYSA-N 456.308 -0.087 50 20 JBGD CN1C(=O)CC[C@H]1C(=O)N1CCC(OC2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1837921745 XDQCXUVHUBPWSC-FQEVSTJZSA-N 457.336 -0.401 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1C[C@@]13C(=O)Nc1ccccc13)CCO2 1840017728 BOHFXYWZBVGMFG-XYHYBEPMSA-N 499.568 -0.274 50 20 JBGD CS(=O)(=O)Cc1ccc(C(=O)N2CCCC23CN(C(=O)c2cccc(B(O)O)c2)C3)cn1 1843215576 KRNLLXOHDGBGKK-UHFFFAOYSA-N 457.317 -0.563 50 20 JBGD COC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)c1ccc(B(O)O)cc1)C2 1843382251 GIWCCBJCDAAEAS-QGZVFWFLSA-N 461.324 -0.277 50 20 JBGD Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NNC(=O)[C@@H]1COc2ccccc2O1 16230275 WAVJPJCBQGBHLM-KRWDZBQOSA-N 450.473 -0.353 50 20 JBGD C[C@@]1(C2CC2)NC(=O)N(CC(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)C1=O 17514242 XFQLXNRNCOOEIX-FQEVSTJZSA-N 463.516 -0.047 50 20 JBGD O=C(Cn1c(=O)[nH]c(=O)c2ccccc21)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 28028157 KYWIECNHFRWLQQ-UHFFFAOYSA-N 487.494 -0.828 50 20 JBGD CCn1cnc2c1c(=O)n(CC(=O)NNC(=O)C1(C(=O)NC)CC1)c(=O)n2Cc1ccccc1 727754766 OUJMYJQEKZSNRO-UHFFFAOYSA-N 467.486 -0.899 50 20 JBGD COc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)CN3CCS(=O)(=O)CC3)c2)cc1 916142194 QEIMTYQQFWUXOT-UHFFFAOYSA-N 496.567 -0.013 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)c3ccc4nncn4c3)CCO2)C1 1779032207 LPLHLAWCBZMAPR-OAQYLSRUSA-N 450.459 -0.515 50 20 JBGD CS(=O)(=O)CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnccc2C(=O)NN)C1 1779374924 GUBUFGGRYSXEMR-OXQOHEQNSA-N 467.548 -0.753 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(C(N)=O)cc3)C2)C1 1784929702 ZFTHUNFHYGWXLX-QFIPXVFZSA-N 452.471 -0.459 50 20 JBGD Cc1cc(NC(=O)CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)no1 1786982960 ISXDXVPVLAVWFL-SZMVWBNQSA-N 470.291 -0.715 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)N3CCCC3)C[C@@H]21)c1cccc(B(O)O)c1 1786983266 KRAMEDWCXYSRBT-IHPCNDPISA-N 457.336 -0.638 50 20 JBGD C[Si](C)(C)OCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCS(=O)(=O)CC3)C[C@@H]21 1788765014 FMDVRDSANVMXSR-ULQDDVLXSA-N 461.657 -0.452 50 20 JBGD C[C@H](CC(N)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN(C)NC(=O)NCc3ccccc3)[C@H]2C1 1789724619 CECMELVHJXWITK-GTAWCEEGSA-N 488.589 -0.176 50 20 JBGD N#Cc1cc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)ccc1F 1795735937 KSUKEJRBGZWWAY-OPMZPASUSA-N 451.263 -0.177 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cn1cccc([N+](=O)[O-])c1=O)C2 1798443056 OZELTOURWJBYIO-BTTYYORXSA-N 469.458 -0.293 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CNC(=O)O1)C2 1798521504 LKAIZQXBNYGCBI-LZDSYCOUSA-N 462.415 -0.168 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCC([C@H]2CCCCN2C(=O)CN2CCS(=O)(=O)CC2)CC1 1824976815 QCBBTPZVRSJXAY-LJQANCHMSA-N 485.651 -0.291 50 20 JBGD O=C(c1cccc(N2CCOCC2)n1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830728069 OGGUZLYCBUNROJ-UWJYYQICSA-N 468.938 -0.412 50 20 JBGD O=C(/C=C/c1ccc([N+](=O)[O-])o1)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1830907473 ZVSFXDNSPAGBMQ-YHCZKZFASA-N 485.258 -0.349 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)CN2CC(=O)NC2=O)CC1 1831870465 CSIYIRGUYFCDPX-MRXNPFEDSA-N 450.540 -0.469 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1Cc3ccccc3CN1C)CCO2 1832471572 ITLRWLGSQAFLNP-SQJMNOBHSA-N 487.601 -0.128 50 20 JBGD CNc1nsnc1C(=O)NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1833071140 IHECIRRIWXOPNV-UHFFFAOYSA-N 472.380 -0.241 50 20 JBGD CC(=O)Nc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)n1 1833335665 VHNCBYSSBZVYQN-HSZRJFAPSA-N 482.302 -0.896 50 20 JBGD CN(C)c1ncc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)o1 1833902871 LMZITYOKEMLDQF-OAQYLSRUSA-N 473.490 -0.877 50 20 JBGD Cc1ncncc1C(=O)NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1835970982 AIBZYGKFWCQRBK-UHFFFAOYSA-N 451.336 -0.036 50 20 JBGD C[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc4n(n3)CCCNC4=O)CCO2)C1 1836780797 IIVLKLFFUYVCPO-DJJJIMSYSA-N 484.351 -0.130 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(=O)cco3)C2)C1 1837457255 ZMDWUGZASVOCQM-OAQYLSRUSA-N 457.443 -0.978 50 20 JBGD COc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)ccc1O 1837460060 REPFWJAFALRBSN-QHCPKHFHSA-N 485.497 -0.217 50 20 JBGD O=C1CCc2ccc(C(=O)N3CCO[C@@]4(COCCN(C(=O)c5ccc(B(O)O)cc5)C4)C3)cc21 1839528604 GSVSAHVXPDQTTM-RUZDIDTESA-N 478.310 -0.121 50 20 JBGD COCCOCCOCCOCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](Cl)COC)CCO2 1840156098 NLPSURAGZYFZPY-NQIIRXRSSA-N 496.985 -0.607 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn(C(C)(C)C)nn3)C2)C1 1840185148 GUMMWCPDCDSDII-NRFANRHFSA-N 465.555 -0.524 50 20 JBGD O=C(CNC1=NS(=O)(=O)c2ccccc21)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 17456291 NBUVBJQTISEYRI-UHFFFAOYSA-N 491.551 -0.029 50 20 JBGD C[C@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1cc(C(=O)O)sc1Br 728509468 FKRMJNRFUYHQNF-BYPYZUCNSA-N 450.314 -0.544 50 20 JBGD Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)CCC(=O)NNC(=O)N3CCOCC3)CC2)c1 745992665 HNEWMKNNLIHONA-UHFFFAOYSA-N 481.575 -0.010 50 20 JBGD Cn1cccc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cnccc3C(=O)NN)C2)c1=O 1779371526 XLSHFTUPGAVUNQ-WZONZLPQSA-N 468.514 -0.175 50 20 JBGD COCCOCCOCCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2 1782062097 VCPVHNMWQUTVCH-ZJSXRUAMSA-N 492.378 -0.436 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnn4c3CCC4)[C@H]2C1 1790391618 ISNOOBSRGWZETO-IXDGSTSKSA-N 453.503 -0.265 50 20 JBGD CCC(=O)N[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN(C)NC(=O)NCc1ccccc1)C2 1793249118 RZHRWFPAOQOQFU-NSAZKJPHSA-N 488.589 -0.163 50 20 JBGD O=C1CSc2cc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)c3cccc(B(O)O)c3)C4)ccc2N1 1796291898 RVHRFEGDAIDFFJ-VPTLXERWSA-N 481.339 -0.072 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1ccc(O)c([N+](=O)[O-])c1 1799480244 SXXIXRYIOKNRRN-CCWDJLKJSA-N 455.232 -0.503 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H](CNC(=O)CN2CC(=O)NC2=O)[C@@H]1c1cccnc1 1804187354 ONDBEYKTLQJJGK-FYRPCYDASA-N 494.512 -0.227 50 20 JBGD C=CC(=O)N[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807374521 HQAHNLLJVCGOLX-FYINFDKHSA-N 450.304 -0.228 50 20 JBGD C[C@@H](CS(C)(=O)=O)C(=O)N[C@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815335843 TZUNZYYUERLPOX-FZMZJTMJSA-N 465.362 -0.271 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CN(C)C(=O)C(=O)O)CC2 1817283241 ZCYDOEIEPJSITB-IVWJEFBKSA-N 489.514 -0.268 50 20 JBGD CCS(=O)(=O)N[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1 1817470253 NFDSJFUYPGACOZ-GUYCJALGSA-N 477.352 -0.277 50 20 JBGD CC(=O)OC[C@H](OC(C)=O)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CCC(=O)NN(C)C)CC2 1819860898 BXEFGAHLEOGSSE-HIFRSBDPSA-N 483.547 -0.077 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(CN(C(=O)c3ccnc(F)c3)CCO2)C1 1831902575 KIZLHBHGTDEGJZ-NRFANRHFSA-N 458.450 -0.397 50 20 JBGD O=C1NCCCn2nc(C(=O)N3CCC(N4CCC(NC(=O)[C@H](O)CCl)CC4)CC3)cc21 1833310307 PQIDUOSMDCHGGY-GOSISDBHSA-N 466.970 -0.199 50 20 JBGD Cc1c(F)ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)c1N 1835868802 OEMLFQLQSSGITN-QHCPKHFHSA-N 471.294 -0.220 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4ccc(F)cc34)C2)C1 1835936766 BTGQYAHIAOCXDL-HSZRJFAPSA-N 482.277 -0.234 50 20 JBGD CC(=O)Nc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)o1 1837453118 VEAIMXHOYAUJII-QFIPXVFZSA-N 486.485 -0.380 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn4ncccc34)C2)C1 1837457418 ACLJIQSAKRQEBE-JOCHJYFZSA-N 480.485 -0.888 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCC(OC2CCN(C(=O)[C@@H]3C[C@H](O)CN3)CC2)CC1 1838103209 PHFIIFIKWMFPKK-ZIHJSPIMSA-N 474.562 -0.158 50 20 JBGD CN(CC(=O)N1CCO[C@]2(COCCN(C(=O)Cn3ccnc3)C2)C1)NC(=O)NCc1ccccc1 1839054236 NDDCUESOWXANMW-DEOSSOPVSA-N 499.572 -0.314 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4n(n3)CCCO4)C2)C1 1840184352 HPXJORXKYQLGLW-OAQYLSRUSA-N 464.523 -0.891 50 20 JBGD Cc1nccn1[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1840491670 ZEGYQVDGMRYKPR-ZHRRBRCNSA-N 456.308 -0.797 50 20 JBGD CC(C)n1nc(C(=O)NNC(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)c2ccccc2c1=O 746387901 YBVXNRBMPQBRBV-MRXNPFEDSA-N 470.530 -0.081 50 20 JBGD Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1 788143393 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COC(=O)[C@H]1CC=CC[C@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795737123 VBWCOZRDFGNVRB-LWASTNQWSA-N 456.304 -0.675 50 20 JBGD CC(C)[C@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN(C)NC(=O)NCc1ccccc1 1799094875 FRFZLCUEKKQDPT-YHELAOLJSA-N 461.563 -0.061 50 20 JBGD O=C(NC[C@H]1CCN(C(=O)c2cnc(O)nc2O)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807374250 GFSAMSYBUQNVNV-QAPCUYQASA-N 463.259 -0.404 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1810303927 XHUBRCYUJWMNLK-UTKZUKDTSA-N 488.313 -0.607 50 20 JBGD CCS(=O)(=O)CC(=O)N[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815335803 RYMUEDQRUOIWHV-CYBMUJFWSA-N 451.335 -0.517 50 20 JBGD CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CCC(=O)NN(C)C)CC2 1826649527 BPVZKZAOYQZYDW-CZUORRHYSA-N 490.590 -0.101 50 20 JBGD O=C(Cc1cccc([N+](=O)[O-])c1)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1829622384 VTAYIJQFOLLYTH-QHCPKHFHSA-N 483.286 -0.413 50 20 JBGD 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CC(=O)OC[C@H](OC(C)=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)C2 1779408580 WVDFRUZJQASHEW-NJNPRVFISA-N 484.550 -0.632 50 20 JBGD C=CC(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)CN(C)NC(=O)NCc3ccccc3)C2)C1 1780967894 BJHRHPXVXYAHRT-MHECFPHRSA-N 486.573 -0.147 50 20 JBGD CC(=O)NCC(=O)N1CCO[C@]2(CCN(C(=O)CN(C)NC(=O)NCc3ccccc3)C2)C1 1780968290 ICSHEWCNHQMWGI-QFIPXVFZSA-N 460.535 -0.701 50 20 JBGD Cc1ccc(=O)n(C(C)(C)C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)n1 1786981226 ZYPXEGTYGPNBNT-IHPCNDPISA-N 482.346 -0.740 50 20 JBGD CN(CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(=O)C1CC1)NC(=O)NCc1ccccc1 1792899421 DQUSJCHAYXMBOR-OPVJXMOQSA-N 457.531 -0.099 50 20 JBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(N3CCOCC3)cn1)C2 1797749837 YHZQKNQIWNDWTO-VPTLXERWSA-N 495.540 -0.566 50 20 JBGD CC(=O)N1CCN(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cnccc2C(=O)NN)C3)CC1 1797934551 PLARMCYZBBXDKF-BJWYYQGGSA-N 457.535 -0.899 50 20 JBGD COc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)cc1OC 1798892077 CSGBNZUIFICYRG-UPHUGPLXSA-N 454.288 -0.099 50 20 JBGD CN(CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H]1C[C@H](O)CN1)C2)NC(=O)NCc1ccccc1 1799869404 IZPGMTWRVRBCSA-WPVAHCMFSA-N 458.563 -0.306 50 20 JBGD O=C(NC[C@@H]1CCN(C(=O)c2nc3ncccn3n2)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807375126 MSIKJSPCBGHBKS-HKUYNNGSSA-N 471.286 -0.168 50 20 JBGD NNC(=O)c1ccncc1C(=O)N[C@H]1CCc2nc(NC(=O)c3c[nH]c(=O)cn3)sc2C1 1821469047 KYUQKVWXXZZMLG-VIFPVBQESA-N 454.472 -0.236 50 20 JBGD CC(C)(C)OC(=O)N1CCO[C@H](C(=O)N2CCOC[C@@]3(CN(C(=O)[C@H](O)CCl)CCO3)C2)C1 1830719794 KORFEBYEYXBFPD-VWKPWSFCSA-N 491.969 -0.322 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3noc(C)n3)CCO2)C1 1832926165 DSGIQTGHCHQPCA-JHXRPTDYSA-N 473.490 -0.489 50 20 JBGD COc1ncccc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1834128830 JGCJCYBCOMNCFT-QFIPXVFZSA-N 455.276 -0.846 50 20 JBGD Cc1nc2sccn2c1C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835930267 GGRYBFBATCBJNI-JOCHJYFZSA-N 484.343 -0.232 50 20 JBGD O=C(C1=NO[C@H](c2ccccc2)C1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835936707 ADNDGBCDXJLFBP-DHLKQENFSA-N 493.325 -0.046 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccn4nccc34)C2)C1 1837459393 FCWTZEHGAPCOQF-QHCPKHFHSA-N 479.497 -0.283 50 20 JBGD COC[C@@H](NC(C)=O)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1837919165 LNVMTKRQZVXIRI-OAQYLSRUSA-N 475.351 -0.870 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)C1CCC3(CC1)OCCO3)CCO2 1839774061 CFTHBNXNPBLJQV-QHCPKHFHSA-N 488.346 -0.630 50 20 JBGD Cc1cc2nnc(C(=O)N3CCOC[C@]4(CN(C(=O)CCC(=O)NN(C)C)CCO4)C3)c(C)n2n1 1840184251 FPCRWGJHXHZCEP-QFIPXVFZSA-N 488.549 -0.816 50 20 JBGD CN1CCCn2nc(C(=O)N3CCOC[C@@]4(CN(C(=O)CCC(=O)NN(C)C)CCO4)C3)cc2C1 1840184771 BDLBMXQMDRHHLT-HSZRJFAPSA-N 491.593 -0.838 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(C(N)=O)cc1)CCO2 1840646908 BCEBFMJBQYPYMZ-RLWVUDJFSA-N 496.524 -0.011 50 20 JBGD C[C@H]1CN(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3cccc([N+](=O)[O-])c3)CC2)C[C@H](C)O1 106046028 PNTYPDCMORIFEO-GJZGRUSLSA-N 484.535 -0.673 50 20 JBGD Cc1nc(S(=O)(=O)NCC(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)cn1C 728214242 LCLGMIQRDIILLI-UHFFFAOYSA-N 485.592 -0.914 50 20 JBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 729276075 WPWFKVVPGUZLHE-JWAFFJSPSA-N 458.562 -0.216 50 20 JBGD O=C(CNS(=O)(=O)c1cccc(C(F)(F)F)c1)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 729342072 WUXQDRKNNKUWPN-SNVBAGLBSA-N 458.440 -0.499 50 20 JBGD CC(C)Cn1cnc2c1c(=O)n(CC(=O)NNC(=O)[C@H]1COCCO1)c(=O)n2Cc1ccccc1 915063497 PIUSXJVGPQGLKN-QGZVFWFLSA-N 484.513 -0.373 50 20 JBGD COCCn1cnc2c1c(=O)n(CC(=O)NNC(=O)C[C@@H]1CCCO1)c(=O)n2Cc1ccccc1 915637306 QARDBCFMLLCLLU-KRWDZBQOSA-N 484.513 -0.229 50 20 JBGD CS(=O)(=O)N1CCC(NC(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)CC1 916237950 ORPUDNNQLJETKG-UHFFFAOYSA-N 452.581 -0.047 50 20 JBGD O=C(CCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)NNC(=O)CN1CCCC1=O 920827288 SGYPWFZVIDJHKC-UHFFFAOYSA-N 499.977 -0.277 50 20 JBGD CC(=O)N[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21)C(C)(C)C 1784314822 NVOOMOLEWFUEHX-UDTPNQRGSA-N 474.562 -0.171 50 20 JBGD COC(=O)[C@@H]1CCC[C@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)C1 1786984011 ZACAFKLRJNOBKQ-LBFCPWMRSA-N 472.347 -0.061 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3Cc4ccccc4CN3)C[C@@H]21 1788610365 NTXDWUWRKYGICB-MQGJPIDWSA-N 478.553 -0.007 50 20 JBGD C[C@@H](Nc1ccccn1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1788778576 QIZJKCDQGRKEFT-LQJIQPLVSA-N 452.320 -0.145 50 20 JBGD COc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)ccc1O 1789600044 GYZOLAUANWKXJZ-MDKPJZGXSA-N 454.288 -0.012 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)NC(=O)c1cnccn1 1797868408 XCPWBLPXEYOQIW-LXTYNQOFSA-N 496.528 -0.682 50 20 JBGD CC(=O)N[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1812650507 OMLXPMQQXWGCRY-AZOIQLNYSA-N 453.503 -0.076 50 20 JBGD C[C@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cnccc2C(=O)NN)n[nH]1)n1cnnn1 1819404336 HRGMTGFOSBYSAI-IAQYHMDHSA-N 453.467 -0.038 50 20 JBGD O=C(Cn1ccncc1=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1821655781 DUCGHBGYNAZVHJ-KRWDZBQOSA-N 450.264 -0.348 50 20 JBGD O=C(COc1ccc(O)nn1)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1821664732 VRGHMMUSMXIRRS-MRXNPFEDSA-N 466.263 -0.030 50 20 JBGD COC[C@H](NC(C)=O)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827052294 SUMVBUFWJCCZMZ-LEWJYISDSA-N 459.352 -0.249 50 20 JBGD NC(=O)NCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCN2C(=O)OCc1ccccc1 1828551812 UZQGNIHZNVWWLC-IERDGZPVSA-N 481.937 -0.294 50 20 JBGD CC[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CC(=O)NC3=O)CCO2)C1 1832482255 KWKRWAYKBCYLRC-YVEFUNNKSA-N 461.313 -0.832 50 20 JBGD COc1ccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)cn1 1832581137 UOHRSYQLRIBAAQ-DEOSSOPVSA-N 483.330 -0.527 50 20 JBGD COc1cccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)n1 1832826869 XLKHHNDFJDZJPA-HSZRJFAPSA-N 477.562 -0.148 50 20 JBGD C[C@@H](Br)C(=O)N1CCC(N2CCC(NC(=O)CN3CC(=O)NC3=O)CC2)CC1 1833713004 TVUFCKKJWZZXRL-GFCCVEGCSA-N 458.357 -0.107 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)c3nc4ncccn4n3)CC2)CC1)c1ccc(B(O)O)cc1 1834798504 DFZBTFJANFATLJ-UHFFFAOYSA-N 477.334 -0.697 50 20 JBGD C[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)CCN3CCN(C)CC3)CCO2)C1 1835404687 KBSBJWMISBRYOU-VQIMIIECSA-N 461.401 -0.136 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CNc3ccccc31)CCO2 1835715314 NEVYHBFKSOJYDO-YADARESESA-N 480.525 -0.036 50 20 JBGD O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835932167 RAQWGLLFGVTFMP-QFIPXVFZSA-N 485.258 -0.636 50 20 JBGD O=C(/C=C/C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2)c1cccs1 1835936951 LQIUUWCXDIRDOR-YQTDCCHMSA-N 484.339 -0.063 50 20 JBGD CCc1cnc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)s1 1835938068 IBHZXKCLSZEOBU-OAQYLSRUSA-N 459.333 -0.231 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccn3ccnc13)CCO2 1837001677 QUXVJSLLVUYAIM-JOCHJYFZSA-N 458.519 -0.223 50 20 JBGD NC(=O)c1ncccc1C(=O)N1CCC(OC2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1837251494 BJBSJSRNFVRKPJ-UHFFFAOYSA-N 480.330 -0.214 50 20 JBGD Cc1cc(/C=C/C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)no1 1837553800 JJDOJABSCDHBSH-WMWRJIBUSA-N 455.276 -0.554 50 20 JBGD O=C(CCN1CCOC1=O)N1CCC(OC2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1837920153 FGTGERYQGDVEGQ-UHFFFAOYSA-N 473.335 -0.179 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccnnc1O)CCO2 1838372155 QMEHGEHPHZIROD-JHXRPTDYSA-N 471.474 -0.614 50 20 JBGD O=C(CCN1C(=O)C=CC1=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839198431 DDLBXSYSRSTNFH-WBVHZDCISA-N 462.272 -0.552 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3Cc4ccccc4O3)C2)C1 1840184421 LKFWUAOBGKRKQF-WMZHIEFXSA-N 460.531 -0.181 50 20 JBGD CCC[C@@H](NC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C2)C1 1840854349 ZDSIZSDPYRQJFR-YCXFWFFPSA-N 490.561 -0.118 50 20 JBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)Cn2cc(Br)c(=O)[nH]c2=O)c1 25416776 HRXMGPACCVOALC-UHFFFAOYSA-N 474.293 -0.989 50 20 JBGD CSCC[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)N1CC[C@H](B(O)O)C1 864233146 HJXXDYXMLYDKQE-FUHWJXTLSA-N 499.420 -0.366 50 20 JBGD Cc1cn2c(=O)c(C(=O)N3CC[C@@]4(CN(C(=O)CCC(=O)NN(C)C)CCO4)C3)cnc2s1 1777989439 HUESPVZEENNHNI-OAQYLSRUSA-N 476.559 -0.119 50 20 JBGD Cc1cnc2c(C(=O)N3CCO[C@]4(CCN(C(=O)c5cnccc5C(=O)NN)C4)C3)cnn2c1 1779032625 VSAJMHOIIBDLII-QFIPXVFZSA-N 464.486 -0.206 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(C(N)=O)cc3)CCO2)C1 1779034068 LDBQSSARWNNAAC-QFIPXVFZSA-N 452.471 -0.459 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCn1cncn1)C2 1779375368 MAMGOZMWGDITGM-DYESRHJHSA-N 456.507 -0.506 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3ccccc3=O)C[C@@H]21 1788610450 STUZFNUADCZXGT-WBAXXEDZSA-N 454.487 -0.860 50 20 JBGD COC[C@@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cccc([N+](=O)[O-])c3=O)[C@H]2C1 1790655349 NAKMBDLPYFIALB-AYDFFVQHSA-N 456.883 -0.010 50 20 JBGD CN1Cc2ccccc2C[C@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1793829025 PUHKZVYFUGUJQL-UDKICSLYSA-N 478.553 -0.055 50 20 JBGD COc1ncc(Cl)cc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795732600 AVILBUWVIRZMNO-ZSBFGKGUSA-N 459.695 -0.060 50 20 JBGD COc1ccnc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)c1OC 1795740253 KPDZSZZTQJOPJW-JLVBRIDZSA-N 455.276 -0.704 50 20 JBGD CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](Cc1ccc(B(O)O)cc1)NC(=O)OC(C)(C)C 1796459527 WLQDAPMVZIXJQE-HNJRGHQBSA-N 475.351 -0.588 50 20 JBGD CC(C)(C)OC(=O)N1CC(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)C1 1797145722 ORFAXNCWHHHSIE-JLVBRIDZSA-N 488.545 -0.245 50 20 JBGD CCOC(=O)c1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)ccn1 1797752849 JGOSKSRZGZGVEK-CCWDJLKJSA-N 482.497 -0.226 50 20 JBGD Cc1cc(C(=O)NCC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cnccc2C(=O)NN)C3)no1 1798510572 RBIVLNMYCSFZQZ-BTTYYORXSA-N 455.475 -0.337 50 20 JBGD CC(=O)N(C)[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807373868 CXXKFKCRVXKVEN-JJXUHFIVSA-N 452.320 -0.052 50 20 JBGD Nc1n[nH]c(CCC(=O)NC[C@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)n1 1810146114 AACVTPMGJZWVLV-UZLBHIALSA-N 463.307 -0.586 50 20 JBGD CCc1ncccc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1833514874 WUPQYGMTTSYXIN-HSZRJFAPSA-N 453.304 -0.292 50 20 JBGD O=C(CNC(=O)c1cccnc1)NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1833772116 UJBGBTPMBXIVNZ-UHFFFAOYSA-N 493.373 -0.623 50 20 JBGD O=C(Cc1ccc(F)cn1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835928354 LZGFBGCXWJGYTD-QFIPXVFZSA-N 457.267 -0.787 50 20 JBGD Cc1ccn2c(C(=O)N3CCOC[C@]4(CN(C(=O)c5ccc(B(O)O)cc5)CCO4)C3)cnc2c1 1835932059 LNUHZCFGDDJOMD-DEOSSOPVSA-N 478.314 -0.294 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4n(n3)CCCC4)C2)C1 1837459486 RTUUXDQXUGJYOR-QHCPKHFHSA-N 483.529 -0.398 50 20 JBGD Cc1cc(C)n(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)n1 1837461602 ZGKXELAYHDQFEA-HSZRJFAPSA-N 485.545 -0.341 50 20 JBGD CN(CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccn(C)n3)C2)C1)NC(=O)NCc1ccccc1 1839054195 KYJNNRDGZRQNQJ-XMMPIXPASA-N 499.572 -0.164 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)c1n[nH]c3cccc(F)c13)CCO2 1839598435 JJGKGQKKPYJJDI-QHCPKHFHSA-N 482.277 -0.234 50 20 JBGD COCCOCCOCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1840075866 GJNGSRWBDKWIIV-APWZRJJASA-N 452.932 -0.888 50 20 JBGD Cc1nc2ncccn2c1C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840184413 KSHCNTRJNZBQPH-JOCHJYFZSA-N 473.534 -0.519 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3nn(C)c4c3CCC4)C2)C1 1840184658 ZZXPVGKBXFPTCP-QFIPXVFZSA-N 462.551 -0.648 50 20 JBGD COC(=O)CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1840235737 LGJAETXVWXLMQJ-QHCPKHFHSA-N 476.335 -0.440 50 20 JBGD COC1(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)CCC1 1840616983 UCZVFIWXFDGCBU-JOCHJYFZSA-N 461.519 -0.286 50 20 JBGD CS(=O)(=O)Cc1ncccc1C(=O)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843013567 MJWIEBNPJWIOQB-UHFFFAOYSA-N 457.317 -0.563 50 20 JBGD C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1 811832243 NEUMFKPVQNNAQJ-GOSISDBHSA-N 473.463 -0.258 50 20 JBGD CC(=O)N(C)CC(=O)NNC(=O)Cn1c(=O)c2c(ncn2CC(C)C)n(Cc2ccccc2)c1=O 914755992 FBQIVQCTEYPGSU-UHFFFAOYSA-N 483.529 -0.310 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2 1778090945 INNSWKCUAUCPRF-UQPPNZDLSA-N 495.345 -0.372 50 20 JBGD COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779034983 YPMBHAPASQFWTL-YGKZAACZSA-N 471.514 -0.116 50 20 JBGD CC(=O)N/C(=C\c1ccco1)C(=O)N1CCO[C@@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783934684 KIIKDJPCOSADDL-ZAVKOYKVSA-N 461.519 -0.041 50 20 JBGD CC(=O)N(C)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C(C)=N/NC(=O)c3ccc[nH]3)[C@H]2C1 1787506542 FHCXIODQNHGWRD-QECDCCOMSA-N 460.535 -0.032 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4n(n3)CCCO4)C[C@@H]21 1788611193 OOXWOOUZKXENQR-OWQGQXMQSA-N 469.502 -0.429 50 20 JBGD C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21)n1ccccc1=O 1788745968 IHIYURVTNHXUHW-PDWMJMLSSA-N 468.514 -0.299 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnc4snnc4c3)[C@H]2C1 1789204658 OBXGJTUFHSXBMQ-KCTSRDHCSA-N 482.526 -0.008 50 20 JBGD COC(=O)[C@@H]1CCC[C@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)C1 1791244611 WRTBGYKIVRLHNT-LBFCPWMRSA-N 472.347 -0.061 50 20 JBGD CC(=O)N1CCC(N2CCC(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)[C@H](O)CCl)CC2)CC1 1792981885 YJUYPVGIOFEXEG-KOUHRCEDSA-N 485.025 -0.101 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)NC(=O)OC(C)(C)C)C2 1796443785 KFPHYETXAHAHOM-LAGKQEBRSA-N 492.533 -0.447 50 20 JBGD COCCn1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)n1 1796597292 KDRCWOAFYCYZQD-ZSBFGKGUSA-N 457.491 -0.955 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)N1CCOCC1 1797801467 CLWYQNICBNUGLL-ZHEXZJMTSA-N 490.985 -0.641 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1ccc(OCCCO)cc1 1798541114 JTKGLAKSPZLLFK-HATOLVCRSA-N 468.315 -0.355 50 20 JBGD CC(=O)N[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2)c1ccc(F)cc1 1799051753 GHWVTMOYSAFYLP-YVCBRDFCSA-N 477.537 -0.035 50 20 JBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C)C2 1801012941 NXXFRKDXWUAZPU-QOSLBHJFSA-N 497.593 -0.681 50 20 JBGD O=C(O)c1cc(C(=O)NC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)ncn1 1804966718 NMCGBAHNOMWAMF-OXJNMPFZSA-N 475.270 -0.117 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)c2nccnc2C(N)=O)[C@@H]1c1cccnc1 1811189224 TWIXACGSZHEVLI-YWZLYKJASA-N 468.518 -0.337 50 20 JBGD Cc1cn(CC(=O)NC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)[C@@H]2c2cccnc2)c(=O)nc1O 1814036854 GFYHHBHOGMFFKV-LAUBAEHRSA-N 485.545 -0.269 50 20 JBGD CCOC(=O)N[C@@H](O)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827058259 WFVKTUNRVLTSAZ-OALUTQOASA-N 461.324 -0.336 50 20 JBGD C[C@@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1830537407 GWEXOPYVHIWBMU-IFXJQAMLSA-N 469.141 -0.533 50 20 JBGD Cc1c(C(=O)NC2CCN(C3CCN(C(=O)c4ccc(B(O)O)cc4)CC3)CC2)cnn1C 1834279860 LNWMHYJGRMTVNC-UHFFFAOYSA-N 453.352 -0.093 50 20 JBGD Cc1nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)cs1 1834455946 DAGQMLPJFLWTIT-HXUWFJFHSA-N 460.516 -0.166 50 20 JBGD O=C(c1ccc2c(c1)OCCO2)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835928269 HRUXWEFJZVKWEC-DEOSSOPVSA-N 482.298 -0.479 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCCCC3)C2)C1 1837457908 VNTKHNRYDFNDER-JOCHJYFZSA-N 460.535 -0.759 50 20 JBGD Cn1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cnccc4C(=O)NN)CCO3)C2)c(C(F)F)n1 1837457960 YOJSYYZREQPWIR-NRFANRHFSA-N 493.471 -0.260 50 20 JBGD C[C@](Cl)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(=O)n4[nH]nnc4n3)C2)C1 1839152284 VCUMTXLYQKFIAG-DLBZAZTESA-N 474.305 -0.881 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc3nccn13)CCO2 1839551337 LUOHDWNYFQBCOF-HSZRJFAPSA-N 464.287 -0.602 50 20 JBGD CCNC(=S)NCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)CBr)C2)C1 1839652747 UNTUWVGTVZBCFK-SUMWQHHRSA-N 465.414 -0.042 50 20 JBGD CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C(=O)N2CC3(CCCN3C(=O)c3cnccc3C(=O)NN)C2)C1 1844264894 VYYKPJZQYUQQMS-SJORKVTESA-N 488.545 -0.270 50 20 JBGD CCS(=O)(=O)CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN(C)NC(=O)NCc1ccccc1 1847787367 XUHAROXEHGVYON-ROUUACIJSA-N 465.576 -0.031 50 20 JBGD CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NNC(=O)[C@@H]1COc2ccccc2O1 21191618 JQTMSYKPRRPIDA-QAPCUYQASA-N 497.551 -0.244 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)c3cc4n(n3)CCCC4)CCO2)C1 1779032016 JYVBRGXLXMSTDP-QFIPXVFZSA-N 453.503 -0.025 50 20 JBGD CN(CC(=O)N1CCO[C@@]2(CCN(C(=O)c3ccnnc3O)C2)C1)NC(=O)NCc1ccccc1 1779919256 GYEBCCBTSFAEMO-QHCPKHFHSA-N 483.529 -0.028 50 20 JBGD CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]2C1 1784092553 KDEXCZSMPHVUKC-NPJQDHAYSA-N 463.959 -0.159 50 20 JBGD COc1cccc(CCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)n1 1786980114 KIKOSMJSSYNEOS-YYWHXJBOSA-N 467.331 -0.004 50 20 JBGD COc1nc(C)ccc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1789013919 YGPVBEJCHNODIA-VDGAXYAQSA-N 453.304 -0.014 50 20 JBGD CN(CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1cncnc1)NC(=O)NCc1ccccc1 1794164244 KRDXVCPBIYKFKY-JHDGKUDLSA-N 481.557 -0.045 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1CCN(C(=O)C2=NNC(=O)C2)[C@@H]1c1cccnc1 1810303595 WKZYPYBPTWSOOA-SCLBCKFNSA-N 450.459 -0.724 50 20 JBGD CC(=O)NCCC(=O)N1CC[C@H](CNC(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1810305880 PGNJEECGISFLKX-UZLBHIALSA-N 453.503 -0.074 50 20 JBGD CC(C)(C)OC(=O)NCCOCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830726858 USKMPJOTGLIHDT-KKSFZXQISA-N 493.985 -0.026 50 20 JBGD CC(C)N1CCC(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)CC1 1832411841 QVSYSCZPKOVVPQ-DEOSSOPVSA-N 488.589 -0.125 50 20 JBGD O=C([C@H]1CCc2nc(O)nc(O)c2C1)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1 1833026499 MRLLMNANFWHEGM-NXPJVHOHSA-N 458.874 -0.017 50 20 JBGD O=C(CN1CCS(=O)(=O)CC1)NC1CCN(C2CCN(C(=O)[C@H](F)Cl)CC2)CC1 1833713983 NXXRYOREAMXGCX-KRWDZBQOSA-N 452.980 -0.177 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)[C@@H](O)CCl)CC2)CC1)c1cc(=O)n2[nH]cnc2n1 1834794144 VIOUBFMLSSZAIH-HNNXBMFYSA-N 451.915 -0.798 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)c3cnc4ncccn34)CC2)CC1)c1ccc(B(O)O)cc1 1834798525 HCARUZYNLHSWCR-UHFFFAOYSA-N 476.346 -0.092 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)CCBr)CC2)CC1)c1cc(=O)n2[nH]nnc2n1 1834973129 UKXWKTPNWLIVOT-UHFFFAOYSA-N 481.355 -0.217 50 20 JBGD CN1CCC[C@H]1C(=O)N1CCC(N2CCC(NC(=O)c3cnccc3C(=O)NN)CC2)CC1 1835737168 RJOQTMZTPUDYLG-FQEVSTJZSA-N 457.579 -0.036 50 20 JBGD COc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)s1 1835927684 WSMTWINXFPBYPI-NRFANRHFSA-N 460.317 -0.180 50 20 JBGD O=C(c1ccc2c[nH]nc2c1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835935344 BJZWUORTRMIABQ-HSZRJFAPSA-N 464.287 -0.374 50 20 JBGD CCC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(=O)n4[nH]nnc4n3)CCO2)C1 1836403413 GZOKCNXJNPNCPZ-KZULUSFZSA-N 453.887 -0.710 50 20 JBGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=O)c3cc(C)on3)CCO2)C1 1837550050 KOQGFDXTMMSWPK-IFXJQAMLSA-N 458.899 -0.577 50 20 JBGD CCn1nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)cc1C 1838149970 LNRBTTZZHFURDA-JOCHJYFZSA-N 471.518 -0.406 50 20 JBGD COC(=O)NCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc([N+](=O)[O-])ccc1OC(C)=O)CCO2 1838528221 LVYHYUUUBJHVPK-OAQYLSRUSA-N 494.457 -0.054 50 20 JBGD CCOc1ncccc1C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840183375 ZUNOMUSWEIXRPR-QFIPXVFZSA-N 463.535 -0.077 50 20 JBGD CC(C)(C)OC(=O)N1C[C@](C)(O)C[C@H]1C(=O)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843012296 ABXPANORHVJDOT-FDDCHVKYSA-N 487.362 -0.056 50 20 JBGD CS(=O)(=O)c1ccc(CC(=O)N2CC3(CCCN3C(=O)c3cccc(B(O)O)c3)C2)cc1 1843013554 WYGDIYKHCGNBRT-UHFFFAOYSA-N 456.329 -0.170 50 20 JBGD CCN(CC)S(=O)(=O)c1ccc(N2C[C@@H](C(=O)NNC(=O)C(=O)NC3CC3)CC2=O)cc1 10213496 XCIFJUXMMUKXNF-ZDUSSCGKSA-N 465.532 -0.504 50 20 JBGD CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 729275016 JOHJCLRYQDRNSM-GXTWGEPZSA-N 466.607 -0.520 50 20 JBGD COc1cc(N2C[C@@H](C(=O)NNC(=O)N[C@H]3CCS(=O)(=O)C3)CC2=O)cc(OC)c1OC 919888725 GLPCULHPUXUXIK-RYUDHWBXSA-N 470.504 -0.417 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)Cc3ccc4ncnn4c3)CCO2)C1 1779032248 HQPBLJUYBQJWIZ-JOCHJYFZSA-N 464.486 -0.586 50 20 JBGD CC(C)(C)OC(=O)N[C@H](O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2 1781047475 KTKMUIWIPYTBEP-LYHRCORUSA-N 491.350 -0.663 50 20 JBGD C[C@H](NC(=O)c1ccccn1)C(=O)N1CC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1782667841 IXLRCCLWFJYRPP-NPMXOYFQSA-N 481.513 -0.658 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1)CCO2 1783932903 JUFOQQYHJXNBNO-GAJHUEQPSA-N 497.593 -0.175 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CC34CCCN3CCC4)C[C@@H]21)c1ccc(B(O)O)cc1 1786981655 DGEYELCAFZFKQB-JBACZVJFSA-N 455.364 -0.022 50 20 JBGD CN(CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3ccnn3)[C@H]2C1)NC(=O)NCc1ccccc1 1787122343 MXRRAPDRWUBVTB-UFYCRDLUSA-N 484.561 -0.396 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc4c(c3)NC(=O)CO4)[C@H]2C1 1788360485 JEQJWROSJVZDOQ-VHFSOBRXSA-N 494.508 -0.077 50 20 JBGD CCC(=O)N[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN(C)NC(=O)NCc1ccccc1)C2 1793249120 RZHRWFPAOQOQFU-UYZIEWPDSA-N 488.589 -0.163 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC[C@@H](N)C(N)=O 1795634827 DAMKXFUPNDGLNV-UESRRSCYSA-N 477.474 -0.684 50 20 JBGD C[C@@H](NNc1ccccc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795732656 HJAJYPMFTNTQSH-LAVAIGHBSA-N 452.320 -0.425 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2)c1nc2c(=O)[nH]c3ccccc3n2n1 1797102612 HPJUYTBHLJGYJG-BAESOJJISA-N 460.878 -0.626 50 20 JBGD C[C@@H](NC(=O)c1ccc(F)cc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1799049048 VUTMREPCBBJMNN-WMIGDMCZSA-N 483.305 -0.473 50 20 JBGD CCC(=O)N[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1803431736 WMWRGSXYVBLTDX-FYINFDKHSA-N 452.320 -0.004 50 20 JBGD COC[C@H](NC(C)=O)C(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807361207 PKCSSNSSTYVTFD-GIVPXCGWSA-N 468.319 -0.768 50 20 JBGD CC(=O)N(C)[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1808430497 YOAMAEPBDZARJN-JJXUHFIVSA-N 452.320 -0.052 50 20 JBGD O=C(O)CSCC(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1813084709 DSORKTSFOSEYBF-JXFKEZNVSA-N 457.317 -0.101 50 20 JBGD O=C(CCN1CCOCC1)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1814639271 RYUAMIBCLFKKEC-INIZCTEOSA-N 458.349 -0.229 50 20 JBGD CC(C)(C)OC(=O)N[C@H](CCN)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](O)CCl)CCO2)C1 1830723894 STDLWUPCUQUNBZ-STXHMFSFSA-N 478.974 -0.715 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(CN(C(=O)C3=NN(C)C(=O)CC3)CCO2)C1 1832375004 NZEIRUUOWYGZBL-VCOZGABYSA-N 487.517 -0.815 50 20 JBGD Cc1ncc(C(=O)NC2CCN(C3CCN(C(=O)c4ccc(B(O)O)cc4)CC3)CC2)cn1 1834064164 VGLFGWYCXOHUIP-UHFFFAOYSA-N 451.336 -0.036 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCC(N2CCC(NC(=O)CN3CCOCC3)CC2)CC1 1834621135 KSTCMLNVBNAFCX-UHFFFAOYSA-N 473.578 -0.798 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)COC(=O)C(F)(F)F)CC2)CC1)c1ccc(B(O)O)cc1 1834798702 ZELHUXMZOCCSBC-UHFFFAOYSA-N 485.268 -0.343 50 20 JBGD C[C@H](Nc1cnccn1)C(=O)NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1835747228 GHKQOCCFZRBQBF-KRWDZBQOSA-N 480.378 -0.158 50 20 JBGD Nc1c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)sc2nccnc12 1835877211 AWUAMBRMIBIQOR-JOCHJYFZSA-N 497.342 -0.663 50 20 JBGD Cc1cccc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)n1 1835935226 IXXZGYYBEMKUBR-XMMPIXPASA-N 467.331 -0.227 50 20 JBGD O=C(CCOc1ccccc1)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835935773 QMJNVOHKFUCJRB-DEOSSOPVSA-N 468.315 -0.095 50 20 JBGD C[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1)c1ccccn1 1835939649 CMJPGCDBKUMJLB-UZUQRXQVSA-N 453.304 -0.365 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)c3ccccc3-n3nccn3)C2)C1 1835939653 WSLOYIHLWSHMJM-DEOSSOPVSA-N 491.313 -0.669 50 20 JBGD O=C(C1=NO[C@H](c2ccccc2)C1)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1836588310 WTFFNTXAEVUTBJ-DHLKQENFSA-N 493.325 -0.046 50 20 JBGD CC[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837460303 AEHDYOCKNKRJIC-DNVCBOLYSA-N 484.351 -0.071 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCC(OC2CCN(C(=O)[C@@H]3CCCS3(=O)=O)CC2)CC1 1837920098 LQTMJFJYTGGRNT-FQEVSTJZSA-N 478.376 -0.444 50 20 JBGD C[C@@H](NC=O)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](CCl)NC(=O)OC(C)(C)C)C2)C1 1839158131 FPQJQEREVJCVNS-QEEYODRMSA-N 476.958 -0.291 50 20 JBGD C[C@H](CBr)C(=O)N1CCCC12CN(C(=O)Cn1cnc3c1c(=O)n(C)c(=O)n3C)C2 1841285802 OXTQAVLIRJXHSZ-GFCCVEGCSA-N 481.351 -0.332 50 20 JBGD C[C@@H]1CN(CCNC(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CCO1 726256532 OEOXHPDORDKKPG-QGZVFWFLSA-N 483.591 -0.309 50 20 JBGD COCCn1cnc2c1c(=O)n(CC(=O)NNC(=O)Cc1cccnc1)c(=O)n2Cc1ccccc1 728856056 MERLDHRGBYPFTC-UHFFFAOYSA-N 491.508 -0.161 50 20 JBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCCCC2)cc1 729275265 MXOFXZAUOIWPOW-AWEZNQCLSA-N 460.578 -0.121 50 20 JBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)cc1 913500144 YLDWXCGOBKXGLT-UHFFFAOYSA-N 479.540 -0.387 50 20 JBGD CNC(=O)NNC(=O)[C@@H](CCSC)NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 919879622 VMJUGKLSZBKXCM-OAHLLOKOSA-N 473.577 -0.481 50 20 JBGD CC(=O)Nc1cc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)ccn1 1779030835 XTKIBFNHHLUJNO-JOCHJYFZSA-N 467.486 -0.204 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)CCc3ccc(O)nn3)C2)C1 1782636216 YADHGLALWDFOJX-NRFANRHFSA-N 455.475 -0.743 50 20 JBGD CS(=O)(=O)Cc1ncccc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21 1785680492 YQBFKFSFZSWZEW-SDNTUTLCSA-N 459.952 -0.181 50 20 JBGD CC(=O)N1CCN(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](C)Br)[C@H]3C2)CC1 1791056123 OGNKVSCKJCJADM-IWCQGFGOSA-N 459.385 -0.086 50 20 JBGD C[C@H]1Oc2ccc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)c3ccc(B(O)O)cc3)C4)cc2NC1=O 1798581985 AWGKXQCGDVJOII-DBDYQOSUSA-N 479.298 -0.397 50 20 JBGD O=C(CNC(=O)c1cccnc1)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1804366765 PUBOFTZRXZDDED-AUSIDOKSSA-N 487.325 -0.094 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@H]1CCN(C(=O)CNC(N)=O)[C@H]1c1cccnc1 1808425207 ZKSUZLYATOYAJB-FRXQJERCSA-N 454.491 -0.110 50 20 JBGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cnccc1C(=O)NN)CC2 1826088012 NAGVGNZWGKORLD-NSHDSACASA-N 474.547 -0.260 50 20 JBGD CCOC(=O)N[C@@H](O)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827058258 WFVKTUNRVLTSAZ-MOPGFXCFSA-N 461.324 -0.336 50 20 JBGD CCc1nn(C)c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)c1Cl 1833593365 HOAGDAAEXBOODO-QFIPXVFZSA-N 490.753 -0.301 50 20 JBGD Cc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1835150321 VBHFZRUJSVOAJC-DEOSSOPVSA-N 468.315 -0.176 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC1CCN(C2CCN(C(=O)CCc3ccc(O)nn3)CC2)CC1 1835738180 LFMGSOVFKTZXBA-UHFFFAOYSA-N 496.572 -0.001 50 20 JBGD Cn1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)c(C(F)F)n1 1835937159 QKXRNVLBJSIBIW-OAQYLSRUSA-N 478.261 -0.579 50 20 JBGD COc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)cc1 1835939357 NTLNQRZXAHTRLQ-QHCPKHFHSA-N 454.288 -0.241 50 20 JBGD CC[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835940036 UFXUNQHLBAFLAG-QFBILLFUSA-N 469.141 -0.390 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)Cc3ccccc3)C2)C1 1837460782 KPMGOPLMLQWAJB-GBXCKJPGSA-N 483.525 -0.641 50 20 JBGD CN(CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3C=CCN3)C2)C1)NC(=O)NCc1ccccc1 1839054081 GFORFSJNHXCXFJ-RDPSFJRHSA-N 486.573 -0.683 50 20 JBGD O=C(COc1ccc(O)nn1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839202880 SFVDZLKPOVUPBY-GOEBONIOSA-N 463.260 -0.292 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3COc4ccccc4O3)C2)C1 1840182252 ASJUZVUIUKHXJA-AUSIDOKSSA-N 476.530 -0.344 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccn(C(F)F)c3=O)C2)C1 1840185289 JHBLLYXDVZZPBH-NRFANRHFSA-N 485.488 -0.314 50 20 JBGD COc1ccc(F)c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)c1 1840684940 AOWSJBNKEPJPDV-QHCPKHFHSA-N 472.278 -0.102 50 20 JBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2)C(=O)Nc1cccnc1 1779487116 WHMSTRGDPZHCKF-AUSIDOKSSA-N 466.303 -0.472 50 20 JBGD CN(CC(=O)N1CC[C@]2(CN(C(=O)CCS(C)(=O)=O)CCO2)C1)NC(=O)NCc1ccccc1 1780969959 QFLYUECNPRKTSH-JOCHJYFZSA-N 495.602 -0.403 50 20 JBGD COC(=O)[C@H]1CC=CC[C@@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795737122 VBWCOZRDFGNVRB-DLRXZHIHSA-N 456.304 -0.675 50 20 JBGD CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CO[Si](C)(C)C 1797956622 SECRJVOEBJDKTM-LORHWOILSA-N 451.600 -0.102 50 20 JBGD CN(CC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1)C(=O)C(=O)O 1827053460 QFZDLHKHPOQGLJ-GOSISDBHSA-N 459.308 -0.857 50 20 JBGD CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830736871 BVLRVVFIPIUYGB-JXSLOMFPSA-N 491.969 -0.587 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)c1ncc(F)cc1F)CCO2 1831961264 CVZFLUFBFSLQDS-OAQYLSRUSA-N 461.230 -0.577 50 20 JBGD CC(=O)N(C)CCC(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834797392 IEFLXUVHQWBZPN-UHFFFAOYSA-N 458.368 -0.580 50 20 JBGD O=C(CCBr)N1CCO[C@]2(COCCN(C(=O)c3cc(=O)n4[nH]cnc4n3)C2)C1 1834822490 QETJUZULPTURJH-QGZVFWFLSA-N 469.296 -0.727 50 20 JBGD CO[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1)c1ccccc1 1835280591 AOOLEJQSSTXIKN-URXFXBBRSA-N 468.315 -0.176 50 20 JBGD COC(=O)[C@@H]1CC[C@H](C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)C1 1835926624 VJTDQDATSSQIDF-IXFSTUDKSA-N 474.319 -0.974 50 20 JBGD CC[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835932162 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MPYANKFPHZRIQD-XAOCGEIJSA-N 493.590 -0.939 50 20 JBGD O=C1NCCn2nc(C(=O)N3CCC(OC4CCN(C(=O)c5cccc(B(O)O)c5)CC4)CC3)cc21 1837579811 BKMDQQKUUJWXBD-UHFFFAOYSA-N 495.345 -0.768 50 20 JBGD C[C@@](Cl)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CC(=O)NC3=O)C2)C1 1839150529 OSGJTHCBDXCCIL-IAGOWNOFSA-N 451.307 -0.769 50 20 JBGD C[C@H](NC(=O)c1ccccc1)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1840903180 PZJNEHHPCZXIAH-UUOWRZLLSA-N 489.573 -0.366 50 20 JBGD CN(CC(=O)N1CCCC12CN(C(=O)c1cccc(B(O)O)c1)C2)NC(=O)NCc1ccccc1 1845038784 SOWLWTDTXZPYEU-UHFFFAOYSA-N 479.346 -0.470 50 20 JBGD CCn1c(CCC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)nc2cc(S(=O)(=O)N(C)C)ccc21 729276285 BJAZSEZOXPGQPT-LBPRGKRZSA-N 488.592 -0.676 50 20 JBGD CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)cc1 919960898 JKJAGXOKLDYCNL-LBPRGKRZSA-N 468.579 -0.603 50 20 JBGD O=C(c1n[nH]c2c1CS(=O)(=O)C2)N1CCO[C@]2(CCN(C(=O)[C@H](F)Br)C2)C1 1781330634 CXVXAFWGPUDIHY-WFASDCNBSA-N 465.301 -0.028 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@]2(CCN(C(=O)CN3C(=O)CSC3=S)C2)C1 1785539986 JAYUPZXDCPNBDS-BOURKTIISA-N 492.583 -0.189 50 20 JBGD CN(CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ncn(C)n3)[C@H]2C1)NC(=O)NCc1ccccc1 1785876515 GQLMKFMQLHPWOL-FHWLQOOXSA-N 484.561 -0.245 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)C1CCC2(CC1)OCCO2 1790737309 KQGWZRIKTNBUTB-JBACZVJFSA-N 472.347 -0.107 50 20 JBGD NC(=O)c1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)cc1 1791892803 AAMWTLXIVMEOSI-IHPCNDPISA-N 451.288 -0.628 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc2cccnc2nc1O 1799922871 FWUIRDVEKNLLMM-ZSBFGKGUSA-N 477.481 -0.149 50 20 JBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCS(C)(=O)=O 1801529393 FAGNCYZYDOOJIF-MADJGSHVSA-N 453.521 -0.855 50 20 JBGD C[C@H](C(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)[C@H]1SC(=N)NC1=O 1808395686 OQAHBJZGIDWIDE-PTKHLAPESA-N 495.370 -0.117 50 20 JBGD CCS(=O)(=O)CC(=O)N1CC[C@H](CNC(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1810293667 GFCPVAMEUBNOMP-DNVCBOLYSA-N 474.543 -0.166 50 20 JBGD CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)NC[C@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1 1813337855 JZRKTRGGFOAWDP-XQFWAAQXSA-N 498.588 -0.069 50 20 JBGD O=C(Cn1cc([N+](=O)[O-])cn1)N[C@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815337635 UUNURGKWCPGELJ-ZDUSSCGKSA-N 470.276 -0.146 50 20 JBGD CS(=O)(=O)c1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)nc1 1830724994 KSWQOPHKBKMBKR-QAPCUYQASA-N 461.924 -0.845 50 20 JBGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cncc(S(C)(=O)=O)c3)CCO2)C1 1833401820 ZVOKBMRFRNEBIA-QFBILLFUSA-N 475.951 -0.191 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)c1cncn1-c1ccncc1)CCO2 1833653651 WCBVHGBJCMLQKY-DEOSSOPVSA-N 491.313 -0.669 50 20 JBGD Nc1ncc(C(=O)NC2CCN(C3CCN(C(=O)c4cccc(B(O)O)c4)CC3)CC2)s1 1834765776 XHFPRKOZLYEOEV-UHFFFAOYSA-N 457.365 -0.096 50 20 JBGD CC(=O)N(C)[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834798630 SIOWQULKKGZJFP-MRXNPFEDSA-N 458.368 -0.582 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)c3cc[n+]([O-])cc3)CC2)CC1)c1cccc(B(O)O)c1 1834801329 YFFJQYVKLWGDAL-UHFFFAOYSA-N 452.320 -0.501 50 20 JBGD CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)CCBr)CCO2)C1 1834823279 MDODBIZSOMNCKK-CRAIPNDOSA-N 479.324 -0.277 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)c3nnc(-c4ccccc4)o3)C2)C1 1835938515 XDWUGXIZDMDNNG-DEOSSOPVSA-N 492.297 -0.200 50 20 JBGD O=C1Nc2c(cccc2C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)C1=O 1837135437 HPHKKNUPDMWPHX-VBKZILBWSA-N 451.863 -0.509 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(Cl)nn3)CCO2)C1 1837838158 WGQFZNNOEGPXOE-HXUWFJFHSA-N 475.893 -0.488 50 20 JBGD COc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)ccn1 1837976963 NUXWULVMDVYEOH-JOCHJYFZSA-N 455.276 -0.846 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCC(OC2CCN(C(=O)[C@H]3CCNC(=O)C3)CC2)CC1 1838788969 DYSSNHNNRBCVDL-INIZCTEOSA-N 451.568 -0.116 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccn3nccc13)CCO2 1839538767 IZASRFHNLQQPLA-HSZRJFAPSA-N 464.287 -0.602 50 20 JBGD CC(=O)OC[C@H](OC(C)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)Br)CCO2)C1 1840033830 SCNLRSSQABLCOS-XLWVJDPXSA-N 479.324 -0.279 50 20 JBGD CCNC(=S)NCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)Br)CCO2 1840035312 MUDCIIOFNRYXCE-LRDDRELGSA-N 451.387 -0.290 50 20 JBGD C[C@](O)(CC(=O)O)CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1840181182 SEBSWLRJNMSOLU-NUEKZKHPSA-N 455.277 -0.251 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4nonc4c3)C2)C1 1840184431 LVWBUNFNYFTCGB-NRFANRHFSA-N 460.491 -0.334 50 20 JBGD CN(CC(=O)N1CC2(CCCN2C(=O)CN2CCOCC2)C1)NC(=O)NCc1ccccc1 1842825861 DDVPWWASNLGKRC-UHFFFAOYSA-N 458.563 -0.132 50 20 JBGD CC(C)(C)OC(=O)N1CC[C@H](O)[C@@H](C(=O)N2CCCC23CN(C(=O)c2cccc(B(O)O)c2)C3)C1 1843823134 MTEYJOBPJXIIQA-OALUTQOASA-N 487.362 -0.199 50 20 JBGD CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NNC(=O)COc2ccc(C#N)cc2)c1 15706345 IQBRWLOIWRNEQY-UHFFFAOYSA-N 461.500 -0.023 50 20 JBGD NC[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1ccccc1 1786922138 RBAWHPDOPWNLLF-FKVLARQCSA-N 451.332 -0.298 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1cc(Cl)c2nncn2c1 1788558528 GYJINXHVGQTNNA-FNHZYXHNSA-N 483.721 -0.030 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CSCC(=O)O)C[C@@H]21 1788610000 UWRJAKGRIMVPHT-CQDKDKBSSA-N 451.505 -0.904 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc4c(n3)OCCO4)C[C@@H]21 1791291309 RGJFPHDCGCOZLQ-MPGHIAIKSA-N 461.519 -0.181 50 20 JBGD Cn1ncc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)c1C(F)(F)F 1794275369 GLKANFQCKLTJDM-YWVIFJGQSA-N 466.225 -0.364 50 20 JBGD N[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1cccc(Cl)c1 1795624461 BMMKGAFJTFKICE-WOUAJJJCSA-N 457.723 -0.077 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(Br)cn1)C2)c1ccc(B(O)O)cc1 1795732426 DZUCHIQGSRBBJX-YVWYUNDQSA-N 488.147 -0.030 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncn(-c3cccc(F)c3)n1)C2)c1ccc(B(O)O)cc1 1795732493 MRUMBMLVVDXIHA-CWPLJXCYSA-N 479.277 -0.397 50 20 JBGD COC[C@H](NC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc([N+](=O)[O-])ccc1OC(C)=O 1798524447 BDIVVAPFMANSEZ-ZDUSMZPESA-N 492.485 -0.126 50 20 JBGD CC[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCS(=O)(=O)CC1)C2 1800640263 NUUOUGNVIMIUPM-HLPPOEQASA-N 466.398 -0.520 50 20 JBGD CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1800783667 MDRLLAUDGGQHDL-HNJRGHQBSA-N 487.362 -0.031 50 20 JBGD CN(C)C(=O)NCC(=O)N1CC[C@@H](CNC(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1810294666 LXGZAKVMKPPFIE-HNAYVOBHSA-N 468.518 -0.329 50 20 JBGD CN1CCN(CC(=O)N2CC[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@@H]2c2cccnc2)CC1 1813069735 BWTRFQGTOFICJO-CVDCTZTESA-N 459.595 -0.292 50 20 JBGD O=C(CNC(=O)c1cccnc1)NC1CCN(C2CCN(C(=O)[C@H](O)CCl)CC2)CC1 1833769873 ZKYOGEKXDTULGY-GOSISDBHSA-N 451.955 -0.017 50 20 JBGD Cc1ncc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)cn1 1833813448 HQEJSHTZZUHMHO-NRFANRHFSA-N 455.475 -0.833 50 20 JBGD O=C(Cc1ncccn1)NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1833875576 BVKCZIBUYAMKBI-UHFFFAOYSA-N 451.336 -0.416 50 20 JBGD Cc1cc(NC(=O)CC(=O)NC2CCN(C3CCN(C(=O)c4cccc(B(O)O)c4)CC3)CC2)no1 1835107631 IJTWCWLDYTVARH-UHFFFAOYSA-N 497.361 -0.123 50 20 JBGD Cc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)nn1C(F)F 1835938218 QOXINCFJVQBJDX-OAQYLSRUSA-N 478.261 -0.350 50 20 JBGD CC(C)c1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)n[nH]1 1835938440 VRBJDOSJJBUJFD-JOCHJYFZSA-N 456.308 -0.403 50 20 JBGD Cc1nc2ccc(F)cn2c1C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835939290 KUCDQQNMYALPDL-DEOSSOPVSA-N 496.304 -0.155 50 20 JBGD CC(C)Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)n(C)n1 1836337287 WIJVZUQPCVAJEL-XMMPIXPASA-N 484.362 -0.318 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)CNCP(=O)(O)O)CC2)CC1)[C@H](F)Br 1836412750 SKKRIFDGSXLGSO-AWEZNQCLSA-N 473.280 -0.027 50 20 JBGD CCOC(=O)N[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)CBr)C2)C1 1837202711 WRLMIEVGCKDTCV-AHIWAGSCSA-N 466.329 -0.462 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc4c[nH]nc34)C2)C1 1837457934 XELFZDFILRPAKI-HSZRJFAPSA-N 479.497 -0.055 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCC(OC2CCN(C(=O)c3nc4ncccn4n3)CC2)CC1 1837919386 LIEICDCAGFZDCT-UHFFFAOYSA-N 478.318 -0.270 50 20 JBGD CC[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3nccnc3C(N)=O)CCO2)C1 1838330378 DCLDIWKCSXLUGY-KZULUSFZSA-N 470.324 -0.181 50 20 JBGD CC[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3nccnc3C(N)=O)CCO2)C1 1838330380 DCLDIWKCSXLUGY-SGTLLEGYSA-N 470.324 -0.181 50 20 JBGD CC(C)NC(=O)OC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1839072402 APBBHAQKNPOMKS-QHCPKHFHSA-N 491.350 -0.650 50 20 JBGD CC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCS(=O)(=O)CC3)C2)C1 1839142129 FNODEHYISWBXHQ-MAUKXSAKSA-N 451.973 -0.809 50 20 JBGD C[C@](O)(CC(=O)O)CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839202517 IIMQYXZSIFSCII-NUEKZKHPSA-N 455.277 -0.251 50 20 JBGD C[C@H](Cc1ccncc1)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1839658233 XFFKZMFJIPPXEQ-HOYKHHGWSA-N 467.331 -0.290 50 20 JBGD C[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)C3CCN(S(C)(=O)=O)CC3)C2)C1 1840033290 ZXCRTQAFXUQGOM-RDTXWAMCSA-N 496.424 -0.102 50 20 JBGD CCOC(=O)N[C@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](C)Br)CCO2)C1 1840033415 COWPRTBBXISSEO-HSMVNMDESA-N 452.302 -0.709 50 20 JBGD Cc1cc(C(=O)NCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)Br)CCO3)no1 1840033549 ISNYUKXFKDGDOO-SCLBCKFNSA-N 473.324 -0.047 50 20 JBGD CCNC(=S)NCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)Br)CCO2 1840035311 MUDCIIOFNRYXCE-BLLLJJGKSA-N 451.387 -0.290 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(Cl)c4nncn4c3)C2)C1 1840185594 POQLZMLGCCFTFX-OAQYLSRUSA-N 493.952 -0.174 50 20 JBGD COc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)ccc1O 1840185665 UUPMKVGBSBFBHD-JOCHJYFZSA-N 464.519 -0.156 50 20 JBGD CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N1CC2(CCCN2C(=O)c2cnccc2C(=O)NN)C1 1844264742 CHEYZMVVAPIQRN-INIZCTEOSA-N 476.534 -0.222 50 20 JBGD C[C@@H](Nc1nc2ccccc2s1)C(=O)NNC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O 9856590 KFIHVBVDMUONEL-SNVBAGLBSA-N 456.488 -0.309 50 20 JBGD CN(C)CC(=O)NNC(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1C 727761637 VJYYRPVEOINJPV-UHFFFAOYSA-N 452.537 -0.764 50 20 JBGD Cc1csc(CC(=O)NNC(=O)COC(=O)c2ccc(S(=O)(=O)NC[C@@H](C)O)cc2)n1 728721853 JERHEWXMOSFWJQ-GFCCVEGCSA-N 470.529 -0.342 50 20 JBGD C=CCN1C(=O)C(=O)N(CC(=O)NNC(=O)c2cccc(S(=O)(=O)N(CC)CC)c2)C1=O 748557098 BVVYSXDEJQMQKG-UHFFFAOYSA-N 465.488 -0.545 50 20 JBGD O=C(NNC(=O)c1cc(I)ccc1-n1cnnn1)N[C@H]1CCS(=O)(=O)C1 919884474 FXQHMIBDTOVACC-VIFPVBQESA-N 491.271 -0.602 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)c3nc4ccccc4n(C)c3=O)C2)C1 1777888618 DBDPHJJQHRHXIW-HSZRJFAPSA-N 470.530 -0.250 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)COC(=O)C(F)(F)F)C1 1779280721 FOSHWEFDUJFWIS-FZKQIMNGSA-N 466.457 -0.021 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H]1CCNC(=O)C1)C2 1779375816 UBYBFZMHXVYYLU-WTBBCNCBSA-N 458.519 -0.661 50 20 JBGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1CCCS1(=O)=O)C2 1782213579 XBONDYHDNILAKK-RZQQEMMASA-N 458.581 -0.550 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1785607573 QGQBIMFCTYKPLP-JMERFSKESA-N 462.931 -0.815 50 20 JBGD O=C(NCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1)c1ccccc1 1786986508 JHUNGAVYYBMWRF-BVSLBCMMSA-N 479.342 -0.220 50 20 JBGD CCOC(=O)c1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)ccn1 1789335242 ZNNDIIXGQCISMC-CUWPLCDZSA-N 481.314 -0.155 50 20 JBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(=O)c3ccccc3o1)C2)c1ccc(B(O)O)cc1 1795732658 IAMRPDZGDXIWQA-MFKICJERSA-N 462.267 -0.010 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CC(c2ccccc2)=NN1 1800154909 OOLPEDVFTPIUTN-GQSCTRQFSA-N 477.525 -0.346 50 20 JBGD CCS(=O)(=O)N[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1815162684 KZQBYPTVLXRGJO-CXAGYDPISA-N 477.352 -0.277 50 20 JBGD CS(=O)(=O)CCC(=O)N[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815347966 ZXPKIDAIHVTRIA-CYBMUJFWSA-N 451.335 -0.517 50 20 JBGD O=C(CNC(=O)C(F)(F)F)N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815361373 BCNGYLWNDZYKNN-NSHDSACASA-N 470.238 -0.273 50 20 JBGD NNC(=O)c1ccncc1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@H]1CCCS1(=O)=O)CC2 1819800904 USZFGSCZFDJCLP-ZUZCIYMTSA-N 478.556 -0.055 50 20 JBGD O=C(COc1ccc(O)nn1)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1821664726 VRGHMMUSMXIRRS-INIZCTEOSA-N 466.263 -0.030 50 20 JBGD COc1cc(N2CCC(C(=O)N3CCOC[C@]4(C3)CN(C(=O)[C@@H](O)CCl)CCO4)CC2)ncn1 1830720436 ZNZMFQHOABWVCJ-JTSKRJEESA-N 497.980 -0.242 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)CC2)CC1)c1cccc(B(O)O)c1 1834800133 XFLZWOKEQZXBEA-UHFFFAOYSA-N 484.322 -0.644 50 20 JBGD C[C@@H](C(=O)N1CCC(N2CCC(NC(=O)c3cccc(B(O)O)c3)CC2)CC1)N1C[C@H]2C[C@H]2C1 1834801009 GEXKHHRNUTYLNI-YSIASYRMSA-N 468.407 -0.108 50 20 JBGD C[C@H](CS(C)(=O)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)CCBr)CCO2)C1 1834819303 KVLFOTQQYXDTCE-CZUORRHYSA-N 455.371 -0.092 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(CN(C(=O)CC3CCOCC3)CCO2)C1 1835422412 XFXCANMXWVHQEN-JOCHJYFZSA-N 461.519 -0.428 50 20 JBGD N#C/C(=C\c1ccc(F)cc1F)C(=O)N1CCOC[C@]2(CN(C(=O)CC[C@H](N)C(N)=O)CCO2)C1 1835748349 SQYBSUIPHWDXGJ-WCPBPTQFSA-N 491.495 -0.079 50 20 JBGD C[C@H](Nc1cnccn1)C(=O)NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1835748561 YLNFZKSAYWYUAF-KRWDZBQOSA-N 480.378 -0.158 50 20 JBGD CN(C)c1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)nc1 1835929124 ARUAUMIYVPSHOZ-QHCPKHFHSA-N 468.319 -0.789 50 20 JBGD CC(=O)Nc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)o1 1837454938 PZPMGXOTALXNBF-OAQYLSRUSA-N 465.507 -0.319 50 20 JBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3[nH]nc4ncccc34)C2)C1 1837457950 YCDFSCVMUQTPNQ-JOCHJYFZSA-N 480.485 -0.660 50 20 JBGD Cc1cc(/C=C/C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)no1 1837458784 BTSODUQYUCMRCK-ZZTDINLMSA-N 470.486 -0.235 50 20 JBGD CN1CCC[C@@H](C(=O)N2CCOC[C@]3(CN(C(=O)c4cnccc4C(=O)NN)CCO3)C2)C1 1837459345 DEAKVXKHCWBUGW-OPAMFIHVSA-N 460.535 -0.903 50 20 JBGD CC(C)c1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)n[nH]1 1837460022 QRKFBAGXJYXLMH-QFIPXVFZSA-N 471.518 -0.085 50 20 JBGD Cc1cc(C)n(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)n1 1840348350 LEMMAONSNWWMDR-JOCHJYFZSA-N 464.567 -0.281 50 20 JBGD CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](C(=O)N2CCCC23CN(C(=O)c2ccc(B(O)O)cc2)C3)C1 1843823164 MXOFDEFDWAAOMO-MOPGFXCFSA-N 487.362 -0.199 50 20 JBGD CCOc1ccc(O[C@H](C)C(=O)NNC(=O)NCCN2CCN(S(C)(=O)=O)CC2)cc1 749354357 UIQRHUJQIXWXEK-OAHLLOKOSA-N 457.553 -0.240 50 20 JBGD CN(CC(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Br)cc1 919886464 RTWSUYFYMICWHM-LLVKDONJSA-N 483.366 -0.413 50 20 JBGD CS(=O)(=O)c1cc(C(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)ccc1Br 1320975690 NMIOLDQYXZTEPE-SECBINFHSA-N 454.324 -0.016 50 20 JBGD CC(=O)N1CCN(CC(=O)N2CC[C@@]3(C2)CN(C(=O)/C(C)=N/NC(=O)c2ccc[nH]2)CCO3)CC1 1778355605 MWLUMGMHWGPPOZ-QADUPLGGSA-N 487.561 -0.886 50 20 JBGD CCOC(=O)N[C@@H](O)C(=O)N1CC[C@]2(CN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)CCO2)C1 1778785321 XHRQPIHRCOMHSI-YEHWERBDSA-N 464.479 -0.985 50 20 JBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21)[C@H]1CCc2nc(O)nc(O)c2C1 1785329059 ZGCGNPDBFUXSGC-PVOYIKSTSA-N 454.911 -0.428 50 20 JBGD CC[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(=O)n2[nH]cnc2n1 1795732348 VDFVJNBZBIHWDR-MIJXAVMKSA-N 453.297 -0.206 50 20 JBGD COC(=O)c1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)c(C)c1 1795741002 WCTFVGHOATZKNB-RMFSNUHRSA-N 466.299 -0.022 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](Cc1ccc(B(O)O)cc1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN 1795970397 XYNPTAAJTUKNAW-RDGPPVDQSA-N 474.367 -0.601 50 20 JBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccnc1CS(C)(=O)=O)C2 1801009407 GAGPSAGRJTUSSF-YVWYUNDQSA-N 481.575 -0.798 50 20 JBGD O=C(NC[C@@H]1CCN(C(=O)COc2ccc(O)nn2)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807373848 VAAUGFJPWIBKKY-HTAPYJJXSA-N 477.286 -0.344 50 20 JBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1CCN(C(=O)[C@H](O)N2CCOCC2)[C@@H]1c1cccnc1 1810302426 IXBSUZXUJMWSAN-NBCNXNJRSA-N 483.529 -0.950 50 20 JBGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1nc[nH]c1[N+](=O)[O-])CC2)c1cccc(B(O)O)c1 1815354863 VQKOHEPSEAAKJE-LLVKDONJSA-N 456.249 -0.006 50 20 JBGD O=C(Cc1cccc([N+](=O)[O-])c1)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1829622383 VTAYIJQFOLLYTH-HSZRJFAPSA-N 483.286 -0.413 50 20 JBGD CC(C)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(=O)n4[nH]nnc4n3)C2)C1 1830357532 FPGNKUYOBHCDOU-GOSISDBHSA-N 453.887 -0.852 50 20 JBGD O=C([C@H](O)CCl)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCc4nc(O)nc(O)c4C3)C2)C1 1830725917 MSJKPYZYFMZUOQ-ASNKJTAVSA-N 470.910 -0.951 50 20 JBGD O=C1CN(c2cccc(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)[C@H](O)CCl)CCO4)n2)CCCN1 1830725957 STGNKLATVUASGE-VGOFRKELSA-N 495.964 -0.922 50 20 JBGD C[C@H](NC=O)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](CCl)NC(=O)OC(C)(C)C)CCO2 1832551290 HRYFEWBZVXRPLB-AUSJPIAWSA-N 476.958 -0.291 50 20 JBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)c1cccnc1OCC1CC1)CCO2 1833625303 NACDZYICJOBCQF-VWLOTQADSA-N 495.341 -0.066 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)c1ccnc(Cl)c1)CCO2 1834179392 HQLVCDVGMBTAGL-NRFANRHFSA-N 459.695 -0.201 50 20 JBGD O=C(NC1CCN(C2CCN(C(=O)c3cn4ncccc4n3)CC2)CC1)c1ccc(B(O)O)cc1 1834798653 VEDIGICPRFCKAJ-UHFFFAOYSA-N 476.346 -0.092 50 20 JBGD Cc1cc(/C=C/C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)no1 1835937892 ACBNXWYKZCXQEO-IOUFHMPJSA-N 455.276 -0.554 50 20 JBGD Cc1cc(O)c([N+](=O)[O-])cc1C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835939398 PHPPUODGULIOAI-QHCPKHFHSA-N 499.285 -0.328 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccn3ccnc3c1)CCO2 1836988718 KBMWVTUXVGINIQ-QFIPXVFZSA-N 458.519 -0.223 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccn3nccc3c1)CCO2 1837162286 XXOGOFFSFJIRKF-JOCHJYFZSA-N 458.519 -0.223 50 20 JBGD CCn1nc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)cc1C 1837458755 AGOKLWLISVWOQA-JOCHJYFZSA-N 471.518 -0.406 50 20 JBGD CC(=O)N1CCN(CC(=O)N2CCOC[C@@]3(CN(C(=O)CO[Si](C)(C)C)CCO3)C2)CC1 1837713244 QSGDNERCAVSOGE-NRFANRHFSA-N 470.643 -0.542 50 20 JBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cnnn3)C2)C1 1838528383 UPSVCSKSBPIXGI-HXUWFJFHSA-N 489.445 -0.723 50 20 JBGD C[C@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)CN(C)NC(=O)NCc3ccccc3)CCO2)C1 1839054101 GYZNWUXWMLKDPB-JTSKRJEESA-N 463.535 -0.830 50 20 JBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(F)c1[N+](=O)[O-])CCO2 1839357039 UUNLMRAFMSETQW-JOCHJYFZSA-N 487.249 -0.203 50 20 JBGD CS(=O)(=O)c1ccc(F)c(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)c1 1839476566 VCNJXTSPIOUHIL-QFBILLFUSA-N 478.926 -0.101 50 20 JBGD CC[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4n(n3)CCNC4=O)C2)C1 1839963131 AQLTUIUOOUPDCB-ORAYPTAESA-N 484.351 -0.130 50 20 JBGD CC[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3nc(N)n[nH]3)C2)C1 1839965250 RXCLWKGWXINEGC-SJCJKPOMSA-N 459.345 -0.051 50 20 JBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCNC(=O)c3ccccc3)C2)C1 1840186643 BWWBVOSPFBESLH-XMMPIXPASA-N 489.573 -0.364 50 20 JBGD C[C@H](NC(=O)c1ccccc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1840900100 IUOVRXSAVFRIEU-WJPUGNRLSA-N 453.923 -0.139 50 20 JBGD Cn1c(=O)c2c(ncn2CC(=O)N2CCCC23CN(C(=O)C(C)(C)CCl)C3)n(C)c1=O 1841984153 PBASUNLTYTZANB-UHFFFAOYSA-N 450.927 -0.098 50 20 JBGD CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cnccc1C(=O)NN 1847641564 PNWGLXBVAGTKAR-ULQDDVLXSA-N 476.534 -0.224 50 20 JBGD