smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CN(C)c1ccc(CNC(=O)CN[C@@H](CO)[C@@H]2CCCOC2)cc1 1195137437 SUZDFALOTZTHHX-WBVHZDCISA-N 335.448 0.746 10 10 ECCE CCOc1ccc(N2C(=O)N=C(O)/C(=C/NNCCO)C2=O)cc1 38163012 ALXMMDUNWRRXAP-XFXZXTDPSA-N 334.332 0.479 10 10 ECCE COCCNC(=O)[C@@H]1CN(c2cc(OC)ncn2)Cc2ncn(C)c21 248072075 XYERLJJYOLUHIL-LLVKDONJSA-N 346.391 0.085 10 10 ECCE COc1ccc(N2CCN(C(=O)C(=O)NCCN(C)C)CC2)cc1 242862011 GFVYGEGHLQAGPC-UHFFFAOYSA-N 334.420 0.022 10 10 ECCE COC(=O)[C@@H]1[C@H]2CN(c3cc4c(cc3[N+](=O)[O-])OCC(=O)N4)C[C@H]21 813621499 YEKFJDDZOCRJTH-ATTMTXSRSA-N 333.300 0.781 10 10 ECCE O=C(CO)NCCC(=O)NCc1ccc(N2CCSCC2)cc1 906260448 FVJAEWVDUVMZTP-UHFFFAOYSA-N 337.445 0.355 10 10 ECCE COc1ccc(N2CC[C@H](CNC(=O)CCNC(=O)CO)C2)cc1 911276977 PUAGOKZFYJKGMA-CYBMUJFWSA-N 335.404 0.136 10 10 ECCE CNC(=O)Cn1cc(NS(=O)(=O)c2cc(F)cc(F)c2O)cn1 753020511 SCDYBGOXGZFVLG-UHFFFAOYSA-N 346.315 0.414 10 10 ECCE COC(=O)c1ccc(O)c([C@@H](C)NC[C@]2(OCCO)CCOC2)c1 850507555 JWBAIIVSQZGITA-SJKOYZFVSA-N 339.388 0.997 10 10 ECCE CN(Cc1ccccc1O)C(=O)C(=O)N1C[C@]2(C)CNC[C@]2(C)C1 1330196762 CEWWHJXGISEZKH-HDICACEKSA-N 331.416 0.809 10 10 ECCE O=C(c1nc2ncc(CCO)cn2n1)N1Cc2cccc(O)c2C1 1471358154 LICQOMKIGRFGDD-UHFFFAOYSA-N 325.328 0.521 10 10 ECCE NS(=O)(=O)Cc1cccc(C(=O)NCc2c(O)cccc2O)c1 1472063989 RJUGEMJKCRFXHQ-UHFFFAOYSA-N 336.369 0.816 10 10 ECCE Cc1cccc(=O)n1C[C@](C)(O)C(=O)NCc1cccc(O)c1O 1644711067 QCXMQUSHTKWMER-KRWDZBQOSA-N 332.356 0.635 10 10 ECCE CNC(=O)[C@@H]1CNCCN1Cc1cc(Br)cc(F)c1O 715780648 XNGFQTFVBCHJQN-NSHDSACASA-N 346.200 0.814 10 10 ECCE Cn1nc(Br)c(C(=O)NCCc2ccc(O)c(O)c2)n1 2235280330 LSYARQUPGSVQAS-UHFFFAOYSA-N 341.165 0.961 10 10 ECCE COC[C@H](C)CNC(=O)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 827480525 FLYLQQGXANPKDT-KGLIPLIRSA-N 349.431 0.789 10 10 ECCE C/C=C\[C@H](O)C(=O)NCCN1CCN(c2ccc(OC)cc2)CC1 900405670 BZDPEVHBDKXZBX-LIMHQNJXSA-N 333.432 0.870 10 10 ECCE O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)N[C@H]1CCCCNC1 842170541 IEUSTIQJVYXUSA-INIZCTEOSA-N 342.443 0.937 10 10 ECCE CCOC(=O)C[C@@H](O)C(=O)NCc1ccc(N2CCN(C)CC2)cc1 918851962 FDXHGNCCZQAYAX-MRXNPFEDSA-N 349.431 0.369 10 10 ECCE Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@@H]1CCCCNC1 842152247 FEOFWNJSAYQNAJ-OAHLLOKOSA-N 332.448 0.936 10 10 ECCE COc1c([N+](=O)[O-])ccc(CN2CCN(c3nccnn3)CC2)c1O 862443590 PVQDDZANPRBTEQ-UHFFFAOYSA-N 346.347 0.816 10 10 ECCE C/C=C(/C)C(=O)NC1CN(Cc2nnnn2-c2ccc(OC)cc2)C1 1318015673 FQHBTKAIDLABJW-QCDXTXTGSA-N 342.403 0.938 10 10 ECCE COc1ccc(CNCC[C@H](C)NC(=O)Cn2cnnn2)cc1C 1320345343 WYDBVLDBNIKVLQ-ZDUSSCGKSA-N 332.408 0.675 10 10 ECCE COc1ccc(CNC[C@H](O)CN(C)C(=O)[C@H]2C[C@H]2C(N)=O)cc1C 1332575761 STEBAIUCNBSEDG-ZNMIVQPWSA-N 349.431 0.034 10 10 ECCE O=C1CN(c2ccnc(C(=O)NCc3c(O)cccc3O)c2)CCN1 1635847713 SFEDKFZZYAAFHE-UHFFFAOYSA-N 342.355 0.359 10 10 ECCE CNC(=O)CN(C)[C@H](C)CNC(=O)c1ccc(N=NC(N)=O)cc1 1734067216 XJVUFNIRNQMCJM-SNVBAGLBSA-N 334.380 0.645 10 10 ECCE C[C@@H](O)[C@@H](NC(=O)C1CCCC1)C(=O)NCc1c(O)cccc1O 1597574441 LDUZZRCBJBYTMJ-MEBBXXQBSA-N 336.388 0.770 10 10 ECCE CNCc1ccc(N2CC3(C2)OC[C@H](O)[C@@H]3O)c(Br)c1 2183630642 DXGZQXMVPXCJGS-STQMWFEESA-N 343.221 0.479 10 10 ECCE C[C@H](O)c1ccc(N2CCNC(=O)[C@@H]2C(N)=O)cc1Br 2184129691 AFONTGATOICGKA-CPCISQLKSA-N 342.193 0.293 10 10 ECCE COC[C@@H]1[C@@H](O)[C@@H](O)CN1c1cc(Br)c(CN)cc1F 2234073853 LGDFLQIXGAMDPP-FRRDWIJNSA-N 349.200 0.604 10 10 ECCE COC(=O)[C@@H]1Cc2[nH]cnc2CN1C(=O)c1cc(O)c(O)c(O)c1 170190570 RADPSFAYVFNURY-JTQLQIEISA-N 333.300 0.267 10 10 ECCE Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)c(=O)nc1N1CCOCC1 66087499 JKXBOVDMASPDJZ-QJPTWQEYSA-N 336.352 0.347 10 10 ECCE CNC(=O)Cn1cc(NC(=O)NCCc2ccc(O)c(O)c2)cn1 271348310 DBLWPCLDIPJROU-UHFFFAOYSA-N 333.348 0.405 10 10 ECCE Nc1ccc(OCCOn2c(=O)c(=O)oc3ccc(C=O)cc32)cc1 821297111 MRUIFGXWJZNJOE-UHFFFAOYSA-N 342.307 0.857 10 10 ECCE Cc1cc(N(C)C)ccc1CNC(=O)NC[C@H](O)CS(C)(=O)=O 919082058 SPISTXQPUMYPGS-AWEZNQCLSA-N 343.449 0.266 10 10 ECCE CN(C)CCN1CCN(Cc2cc3c(cc2O)OC[C@@H]3O)CC1=O 844713737 FITMAXRTDAQKDY-HNNXBMFYSA-N 335.404 0.024 10 10 ECCE O=S(=O)(CCCN1CCOCC1)NCc1c(O)cccc1F 921452233 IKTQEMTXPWASOC-UHFFFAOYSA-N 332.397 0.673 10 10 ECCE COc1ccc(N2CC[C@H](NC(=O)C[C@@H]3SC(=N)NC3=O)C2)cc1 855230617 QIIJTJGEPUENFR-GWCFXTLKSA-N 348.428 0.947 10 10 ECCE CN1CCN(c2ccc(CNC(=O)[C@H]3CCCN(C)C3=O)cc2)CC1 881852650 AVWTZXVLORWXFM-QGZVFWFLSA-N 344.459 0.923 10 10 ECCE CC(C)(C)OC(=O)N[C@H](CS(C)(=O)=O)C(=O)NCCCN=[N+]=[N-] 1899532444 HRTFXCVHGAAONQ-SECBINFHSA-N 349.413 0.741 10 10 ECCE C[C@@H]1[C@@H](C)[S@@](=O)CCN1C(=O)C(=O)N1Cc2cccc(O)c2C1 1329830463 LZONUFIVQXPSEF-HFXCSBFXSA-N 336.413 0.602 10 10 ECCE CNC(=O)[C@H]1CN(C(=O)/C=C/c2cn(C)cn2)c2ccccc2O1 1353733933 HTUKJFBCSNBSIH-MVGZEHJDSA-N 326.356 0.974 10 10 ECCE COc1ccc(CN[C@@H](CO)CNC(=O)Cn2cc(C)cn2)cc1C 1485979573 JUCJHQBJZYCKMK-MRXNPFEDSA-N 346.431 0.775 10 10 ECCE CS(=O)(=O)[C@@H]1CSCCN1C(=O)Cc1ccc(O)c(O)c1 1565877604 XCIGGOFYFGNRDF-CYBMUJFWSA-N 331.415 0.586 10 10 ECCE CN(c1cc2c(cc1Br)[C@H](N)C(=O)N2)[C@H]1COC[C@@H]1O 709223918 NMEOUCQXDAEHQE-SRVKXCTJSA-N 342.193 0.597 10 10 ECCE Cc1cc(O)n2ncc(C(=O)N3CCN(CCOC(C)C)CC3)c2n1 2064700379 OBUZRKRZXNHZQK-UHFFFAOYSA-N 347.419 0.926 10 10 ECCE CC[C@H](C)N1C(=O)C(=CNCCN2CCCCC2)C(=O)NC1=S 2296925552 MVLAHIFZBNPYJL-LBPRGKRZSA-N 338.477 0.988 10 10 ECCE NCc1ccc(N2C[C@@H]3C[C@H]2[C@@H](O)[C@@H]3O)c(F)c1Br 2329332810 PBCMRYHYWNZFEZ-LYDNSBFWSA-N 331.185 0.977 10 10 ECCE COc1ccc(CNC2CC(CNC(=O)Cn3cnnn3)C2)cc1C 1264210926 ZQGUBRXVJSGQFF-UHFFFAOYSA-N 344.419 0.675 10 10 ECCE O=C(CN1C(=O)/C(=C\c2ccco2)SC1=S)NCCCO 210393825 OFGHZGPAARAGBU-JXMROGBWSA-N 326.399 0.979 10 10 ECCE COc1ccc(N2CCN(CCNC(=O)c3cn(C)nn3)CC2)cc1 289540031 CNCDEJXWGQDOPM-UHFFFAOYSA-N 344.419 0.376 10 10 ECCE CNC(=O)CCN(C)c1cc2c(cc1Br)[C@@H](N)C(=O)N2 723200808 ZJAUTVOIMWHJEG-GFCCVEGCSA-N 341.209 0.973 10 10 ECCE COC(=O)[C@@H]1C[C@H]1[C@@H]1NC(=O)N(Cc2ccc(N(C)C)cc2)C1=O 924447096 YKNLFIQRCTWVBF-MCIONIFRSA-N 331.372 0.982 10 10 ECCE CCNC(=O)CN1CC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 1318309059 FTMHXRCKOMFBAC-ZDUSSCGKSA-N 346.391 0.789 10 10 ECCE Nc1ccc(CCNC(=O)C(=O)N[C@H]2CCN(C3CCC3)C2=O)cc1 1328986464 DYFNECCAVLERFE-HNNXBMFYSA-N 344.415 0.197 10 10 ECCE NC(=O)N=Nc1ccc(C(=O)NC/C=C\CN[C@@H]2CCNC2=O)cc1 1274631725 LINLYYPSXVJHAY-IUJMJXRYSA-N 344.375 0.613 10 10 ECCE O=C(NCc1ccc(N2CCCC2)cc1)C(=O)N1CC=C[C@H]1CO 1350386338 LXMRITHYEANNRV-INIZCTEOSA-N 329.400 0.662 10 10 ECCE COCCO[C@@H]1C[C@H](CO)CN(C(=O)c2c(F)ccc(O)c2O)C1 1648750341 QRCHTPFFKUYTDA-WDEREUQCSA-N 343.351 0.723 10 10 ECCE Cc1cc(O)n2ncc(C(=O)NC[C@H](C)N3CCN(C)CC3)c2n1 2064699953 DUPBUXTVSNWCJG-LBPRGKRZSA-N 332.408 0.109 10 10 ECCE Cn1cc(/C=C\C(=O)N2CCCc3cccc(O)c32)c(=O)n(C)c1=O 255671343 RALNEGNXJFCERU-HJWRWDBZSA-N 341.367 0.782 10 10 ECCE CC(C)(C)OC(=O)NC[C@H](O)CNC(=O)Cc1ccc(O)c(O)c1 1449800180 SKFBZUUUKDFROZ-LLVKDONJSA-N 340.376 0.642 10 10 ECCE CN(C)C[C@H]1CN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)CCO1 105923939 FIXJTLOWVDEGFS-SFHVURJKSA-N 348.491 0.973 10 10 ECCE O=C(O)[C@H]1[C@H](O)[C@H](O)CCN1Cc1c(O)cccc1Br 2357918527 UCPUVTRFSXAFMI-IJLUTSLNSA-N 346.177 0.535 10 10 ECCE CON(C)S(=O)(=O)c1cccc(C(=O)OCC(=O)C(C)=O)c1 808497378 NNDNNEKIQMSEEZ-UHFFFAOYSA-N 329.330 0.183 10 10 ECCE COc1ccc(CNCc2nccn2S(=O)(=O)N(C)C)c(O)c1 811499427 NXAZJYWUIJKLDF-UHFFFAOYSA-N 340.405 0.542 10 10 ECCE CNCCS(=O)(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1 722230868 RMIQFGHSUHJAEE-UHFFFAOYSA-N 341.842 0.673 10 10 ECCE C[C@H](NC[C@@]12COCCN1C(=O)COC2)c1cc(F)cc(F)c1O 866551543 AQMXHYVXARJLQG-QFYYESIMSA-N 342.342 0.949 10 10 ECCE COc1ccc(CNC(=O)C(=O)Nc2cnc(N(C)C)nc2)c(O)c1 797390268 BYHFRJFUGNWWPO-UHFFFAOYSA-N 345.359 0.512 10 10 ECCE C[C@@H]1[C@H](O)CCCN1C(=O)C(=O)NCc1ccc(N(C)C)c(F)c1 1333780491 XQZRNUKFPQTZCV-IAQYHMDHSA-N 337.395 0.880 10 10 ECCE CS(=O)(=O)Nc1ccc(O)c(C(=O)NC[C@@H]2CCCC2=O)c1 1447918387 OLTAUIDRJBLLCB-VIFPVBQESA-N 326.374 0.863 10 10 ECCE CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)COCCOC 1611046215 WMNPQKSZYHCMRV-LBPRGKRZSA-N 341.360 0.351 10 10 ECCE COCCOCCc1ncc(C(=O)NCc2c(O)cccc2O)[nH]1 1472064289 ZVVADKQPOHSACM-UHFFFAOYSA-N 335.360 0.956 10 10 ECCE Cc1ccc(C(=O)N2CCS(=O)(=O)[C@@H]3COCC[C@@H]32)c(O)c1O 1626140940 RJHQCPYZUKRDFV-NWDGAFQWSA-N 341.385 0.434 10 10 ECCE COc1ccc(CNC[C@@H](O)CNC(=O)c2ccc(O)nc2)cc1C 1699070422 JWSOOJLRCWLPCD-OAHLLOKOSA-N 345.399 0.985 10 10 ECCE CNCc1ccc(N2CCOC[C@@H]2[C@@H](O)CO)cc1Br 2146325505 GQVLDUZURJNXFA-KGLIPLIRSA-N 345.237 0.727 10 10 ECCE NS(=O)(=O)NCCCNCc1c(O)cccc1Br 2039803019 DOCSQUYTDGZJGN-UHFFFAOYSA-N 338.227 0.428 10 10 ECCE CC(C)(C)OC(=O)N1CCOC[C@]1(C)COc1nnc(=N)[nH]n1 2210647836 URFMWLKMTFWVSB-CYBMUJFWSA-N 326.357 0.084 10 10 ECCE COC[C@@H]1[C@H](O)[C@H](O)CN1c1cc(Br)c(CN)cc1F 2234073855 LGDFLQIXGAMDPP-UPJWGTAASA-N 349.200 0.604 10 10 ECCE COc1cc2c(cc1OC)CN(CC(=O)OCC(=O)C(C)=O)CC2 808545280 VJQAQTUFNTWUEE-UHFFFAOYSA-N 335.356 0.763 10 10 ECCE COC(=O)[C@H]1[C@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)c1cccc(O)c1O 790900803 ISCUGFBHAQNRFI-FPQZTECRSA-N 349.339 0.663 10 10 ECCE CC(C)(C)OC(=O)N1CC(O)(C(=O)NCc2cccc(O)c2O)C1 1303195070 OYIVPGILDRXENA-UHFFFAOYSA-N 338.360 0.696 10 10 ECCE CC(C)NS(=O)(=O)NCCNC(=O)N[C@@H](C)c1ccccc1O 1234083704 RAMZCCGZBNLEAU-NSHDSACASA-N 344.437 0.585 10 10 ECCE CCOC(=O)c1cnn2c(O)cc(CN[C@@H]3C(=O)NCC3(C)C)nc12 1460726833 VDYKSWOVVBVHGS-GFCCVEGCSA-N 347.375 0.226 10 10 ECCE CN1CCn2cc(C(=O)NCc3ccc(N(C)C)cc3)nc2C1=O 1548360553 HRPHGKOYQJQBSH-UHFFFAOYSA-N 327.388 0.965 10 10 ECCE Nc1nnn(CC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)n1 1636950561 CUPZDCAMXNMYJV-LBPRGKRZSA-N 332.364 0.169 10 10 ECCE CC(=O)C(=O)[C@H](O)[C@@H]1N(C(=O)OC(C)(C)C)CC12CCOCC2 1905176648 QDLJBMFPWPYUGF-STQMWFEESA-N 327.377 0.922 10 10 ECCE C[C@H](O)c1ccc(N2CC3(C2)OC[C@H](O)[C@@H]3O)c(Br)c1 2183638048 FHUKYMHJSBBSBP-HJIKLVIJSA-N 344.205 0.813 10 10 ECCE CN(C)c1ccc(CNC(=O)CN2CC[C@@H](N3CCOCC3)C2)cc1 173984780 JLLUGFHTXVFRRV-GOSISDBHSA-N 346.475 0.775 10 10 ECCE COc1ccc(N2CCN(CCCN3C(=O)CNC3=O)CC2)cc1 77180429 IBSIEOMDDIDFGW-UHFFFAOYSA-N 332.404 0.759 10 10 ECCE O=C1COc2cc([N+](=O)[O-])c(N3CCN([C@@H]4CCOC4)CC3)cc2N1 366780739 QKJZLAGMKUMVPA-LLVKDONJSA-N 348.359 0.837 10 10 ECCE Cc1cccc(=O)n1C[C@@](C)(O)C(=O)NCc1c(O)cccc1O 1304053516 MUOZVQCDXLXNPS-QGZVFWFLSA-N 332.356 0.635 10 10 ECCE COc1ccc(CN[C@@H](C)CNC(=O)Cn2ncn(C)c2=O)cc1C 1317251059 HHGJPIZUFVOWEH-ZDUSSCGKSA-N 347.419 0.193 10 10 ECCE C[C@H](CNC(=O)NCc1ccc2c(c1)CCCN2C)S(N)(=O)=O 1328024687 VEJSKZJNMGIAPR-LLVKDONJSA-N 340.449 0.545 10 10 ECCE Cc1cc2nc(NC(=O)C3=S=C([N+](=O)[O-])C=C3)cc(N(C)C)n2n1 1457936597 MVSHAKYHIPVULF-UHFFFAOYSA-N 346.372 0.924 10 10 ECCE O=C(NCc1ccc(O)c(O)c1)c1nc2ncc(CCO)cn2n1 1566359907 RGMMBLWACCQJGW-UHFFFAOYSA-N 329.316 0.000 10 10 ECCE C[C@H](C(N)=S)S(=O)(=O)Nc1ccc(NS(C)(=O)=O)cc1 2160436376 RYTVRAYLAPPIGP-SSDOTTSWSA-N 337.448 0.474 10 10 ECCE C[C@H](O)c1ccc(N2CC3(C2)OC[C@H](O)[C@H]3O)cc1Br 2183636936 AJAUWGPRDVXGGQ-AQUOVQTQSA-N 344.205 0.813 10 10 ECCE COc1ccc(CNC(=O)c2cn(C[C@@H]3CCOC3)nn2)c(O)c1 529227798 LBRBVKUJYTUPTL-NSHDSACASA-N 332.360 0.959 10 10 ECCE CNCCNC(=O)NCCN1CCN(c2ccc(OC)cc2)CC1 841749129 AKBMQXRBIQDDOX-UHFFFAOYSA-N 335.452 0.336 10 10 ECCE CCO[C@@H]1CN(CC(=O)NCc2ccc(N(C)C)cc2)C[C@H]1CN 846226596 QLTPATPTRLXHKS-NVXWUHKLSA-N 334.464 0.664 10 10 ECCE COC(=O)/C=C/c1ccc(N2CCO[C@@H](CC(N)=O)C2)c([N+](=O)[O-])c1 858821472 JOFMVJVYIDYPFZ-PYEVWLCESA-N 349.343 0.862 10 10 ECCE CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCO[C@H](CCF)C2)c1 863075082 KGPGGYNLLVMDHS-LLVKDONJSA-N 346.380 0.964 10 10 ECCE CN(CCN(C)C(=O)c1ccc(N=NC(N)=O)cc1)CC(=O)N(C)C 1320090511 MALDEURLUBWGJL-UHFFFAOYSA-N 348.407 0.941 10 10 ECCE COc1ccc(CNC[C@H](C)CNC(=O)Cn2cnnn2)cc1C 1270354792 FLRLXGSEBOAALD-LBPRGKRZSA-N 332.408 0.532 10 10 ECCE COc1ccc(CNC[C@@H](C)NC(=O)[C@@H]2CC(=O)NC(=O)N2)cc1C 1569021325 UKGUJRYSLJGEIQ-YPMHNXCESA-N 348.403 0.196 10 10 ECCE CN1CCN(c2ccc(CNC(=O)[C@]3(C)C[C@H](O)CN3C)cc2)CC1 918829577 DWNYJPAJTHECTH-HKUYNNGSSA-N 346.475 0.510 10 10 ECCE COc1ccc(N2CC[C@@H](NC(=O)N3CCC(O)(CO)CC3)C2)cc1 854296598 KKTARMXLZQBPJU-CQSZACIVSA-N 349.431 0.803 10 10 ECCE CCOC(=O)c1cnn2c(O)cc(CN[C@@H](CO)C3CCC3)nc12 852319658 AIHCSUMTLWEERB-ZDUSSCGKSA-N 334.376 0.862 10 10 ECCE CO[C@H]1C[C@@H](CNC(=O)c2cc(NS(C)(=O)=O)ccc2O)C1 863771223 BHBKPRXGTQZJJT-JGZJWPJOSA-N 328.390 0.919 10 10 ECCE CNC(=O)CNC/C=C\CNC(=O)c1ccc(N=NC(N)=O)cc1 1732939932 REALSOCBZAPOCP-LCEKYLTBSA-N 332.364 0.471 10 10 ECCE C[C@H](N[C@H](C)C(=O)c1c(N)n(C)c(=O)n(C)c1=O)c1ccccc1O 1654535388 ZYAOPQIQBZHNDV-VHSXEESVSA-N 346.387 0.294 10 10 ECCE CC(C)(C)OC(=O)NC[C@@]1(COc2nnc(=N)[nH]n2)CCCOC1 2213778625 JDTZLQXQWKJCDH-AWEZNQCLSA-N 340.384 0.379 10 10 ECCE CCOC(=O)c1cnn2c(O)cc(CN3C[C@@H]4CN(C)C[C@@H]4C3)nc12 193624079 JRQZLXXDVYKMFJ-TXEJJXNPSA-N 345.403 0.605 10 10 ECCE O=C(NCCCSc1nccs1)C(=O)N1C[C@@H]2C[C@@]2(CO)C1 1322813581 CLGCNSWBUUQAGO-HZMBPMFUSA-N 341.458 0.582 10 10 ECCE CN(C)S(=O)(=O)n1ccnc1CNCc1ccc2c(c1)CCO2 811477380 OULRTILZFIXLKP-UHFFFAOYSA-N 336.417 0.762 10 10 ECCE COc1ccc(N2CCCN(C(=O)N[C@H]3CCNC3=O)CC2)cc1 852410055 GVRHLVZHEGBNBF-HNNXBMFYSA-N 332.404 0.805 10 10 ECCE C[C@@H]1CCN1C(=O)C(=O)NCc1ccc(N2CCC(O)CC2)cc1 1331714245 AZOHWUZFRJTCOG-CYBMUJFWSA-N 331.416 0.885 10 10 ECCE 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Cc1cc(=O)c(OC[C@@H](O)CO)cn1CCOc1ccc(N)cc1 1857916825 OLSWPCCFBSNTSZ-AWEZNQCLSA-N 334.372 0.550 10 10 ECCE CN(C)C=C1SC(=S)N(N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)C1=O 2040736881 NNSTYYQFKPMQNE-OINDSLJFSA-N 349.437 0.972 10 10 ECCE COC(=O)Cc1cc(O)n2nc(C(F)(F)F)c(C(=O)OC)c2n1 2080933813 VNACKLSBNAHKID-UHFFFAOYSA-N 333.222 0.956 10 10 ECCE C[C@H](N)c1ccc(N2C[C@H](O)[C@@H](O)[C@@H](CO)C2)cc1Br 2289401556 GJCVONOFGCRMKG-WAYYCVMKSA-N 345.237 0.619 10 10 ECCE C[C@H](CCNS(=O)(=O)CCOc1ccc(N)cc1)[S@@](C)=O 229778984 ITVXKSGMXWHSPV-BIBXISHDSA-N 334.463 0.724 10 10 ECCE O=C1COc2cc([N+](=O)[O-])c(N3CCN4C(=O)OC[C@@H]4C3)cc2N1 366235462 QLYWDOKSWYMUTE-QMMMGPOBSA-N 334.288 0.567 10 10 ECCE COc1cc(C(=O)OCC(=O)C(C)=O)cc(Cl)c1OCC(N)=O 808499815 NULOJMCGYGIKHW-UHFFFAOYSA-N 343.719 0.528 10 10 ECCE COC[C@@H]1CCN1C[C@H](O)CN1CCN(c2ccc(OC)cc2)CC1 815127602 CBYBZJIXORBDLL-ZWKOTPCHSA-N 349.475 0.899 10 10 ECCE CCN(CC(=O)NC)c1cc2c(cc1Br)[C@@H](N)C(=O)N2 723190633 AJISFWDMQHYKKB-GFCCVEGCSA-N 341.209 0.973 10 10 ECCE CO[C@@H]1C=C[C@](CNC(=O)[C@H](C)n2nc3c(cc2=O)CCC3)(OC)O1 585413833 FGZKLCZRACNUSA-KCTSRDHCSA-N 349.387 0.311 10 10 ECCE CCn1cc(CC(=O)NCc2ccc(N3CCOCC3)cc2)nn1 930524018 UOYBQKCKCULMID-UHFFFAOYSA-N 329.404 0.994 10 10 ECCE CCOC(=O)CC[C@H](C)NC(=O)C(=O)NCCc1ccc(N)cc1 1331497943 QYIAIFDSNVXDCM-LBPRGKRZSA-N 335.404 0.776 10 10 ECCE CC(=O)N1CCN(c2ccc(CNC(=O)[C@@H]3C[C@@H]3CN)cc2)CC1 1341929234 RENRWDJKMJFRCK-NVXWUHKLSA-N 330.432 0.566 10 10 ECCE CN1CCCc2cc(CNC(=O)C(=O)N3CC=C[C@H]3CO)ccc21 1350396800 UMKHRYJJUQLBAG-HNNXBMFYSA-N 329.400 0.445 10 10 ECCE O=C(NCCc1ccc(O)c(O)c1)C1CC2(C1)CS(=O)(=O)C2 1465981168 CNRHQPHTDHOSAH-UHFFFAOYSA-N 325.386 0.581 10 10 ECCE COc1ccc(CN[C@H](CO)CNC(=O)Cc2n[nH]c(C)n2)cc1C 1734367041 VYGDHEDWKJFDFB-AWEZNQCLSA-N 347.419 0.240 10 10 ECCE COc1ccc(N2CCN(C(=O)[C@H]3CN(C)C(=O)N3C)CC2)cc1 1889892665 NLKFLRDIPJRISE-OAHLLOKOSA-N 332.404 0.710 10 10 ECCE N[C@@H]1C(=O)Nc2cc(N3C[C@@H](CO)[C@@H](O)C3)c(Br)cc21 316253766 FTIRWSOFVQUELE-QNRPFLCFSA-N 342.193 0.190 10 10 ECCE C[C@H](N)c1ccc(N2CC[C@@](O)(CO)[C@@H](O)C2)c(Br)c1 2234099087 ZSDHJZQEHCUBSY-QCZZGDTMSA-N 345.237 0.763 10 10 ECCE Cc1ccc(N2NC(=O)/C(=C/c3c(O)[nH]c(=S)[nH]c3=O)C2=O)cc1 108725230 YOUUEGSWIUDSTD-POHAHGRESA-N 344.352 0.908 10 10 ECCE C[C@@H](NC(=O)[C@@H]1CN(C)C(=O)N1)c1ccc(N2CCOCC2)cc1 823835349 XVBSQNWCBUXUAX-DOMZBBRYSA-N 332.404 0.724 10 10 ECCE COC(=O)[C@H](CCF)NC(=O)c1cc(NS(C)(=O)=O)ccc1O 846424424 GVLCOIWOBVDSLX-JTQLQIEISA-N 348.352 0.395 10 10 ECCE C[C@H]1CNCC[C@@H]1NC(=O)C(=O)NCc1ccc2c(c1)CCCN2C 842149798 FVKGEXVQKWTJPT-BBRMVZONSA-N 344.459 0.799 10 10 ECCE O=C1COc2cc([N+](=O)[O-])c(N3CCN(CCCO)CC3)cc2N1 758155151 MFIWYBZQKRDOEL-UHFFFAOYSA-N 336.348 0.430 10 10 ECCE COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)Cn1cncn1 1152401937 RKJBYZKVHYILJP-UHFFFAOYSA-N 338.751 0.839 10 10 ECCE COC[C@@H]1C[C@@H](O)CN1C(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 1346372034 DLTHFAMJCYGQTB-VBNZEHGJSA-N 349.431 0.538 10 10 ECCE CS(=O)(=O)NC[C@@H]1CCN(C(=O)Cc2ccc(O)c(O)c2)C1 1455492380 GBVFKWFNYGKGLT-NSHDSACASA-N 328.390 0.038 10 10 ECCE COc1ccc(CNC[C@@H](O)CNC(=O)c2ccnn2C)cc1C 1482714768 XRRNARPTWUDUAL-CQSZACIVSA-N 332.404 0.618 10 10 ECCE COc1ccc(CN[C@H](C)CN(C)C(=O)Cn2cnnn2)cc1C 1734312204 FTZIDRAJCVXAIP-CYBMUJFWSA-N 332.408 0.627 10 10 ECCE COc1ccc(-n2nnnc2CNC[C@H](C)CNC(=O)C2CC2)cc1 1732333102 IXZCNRXEFNNSGG-LBPRGKRZSA-N 344.419 0.923 10 10 ECCE O=C(NCCNC(=O)c1cc(O)c(O)c(O)c1)c1cccc(O)c1 169839079 ZQKYOZKVGBSFFQ-UHFFFAOYSA-N 332.312 0.669 10 10 ECCE NCc1ccc(N2CC[C@@]3(C2)NC(=O)NC3=O)cc1Br 2170620758 BOEASCRSHMTINH-ZDUSSCGKSA-N 339.193 0.696 10 10 ECCE CO[C@]1(COc2nnc(=N)[nH]n2)CCCN(C(=O)OC(C)(C)C)C1 2213780587 HVPCJSVYBSZURP-CQSZACIVSA-N 340.384 0.474 10 10 ECCE NC(=O)N=Nc1ccc(C(=O)NC[C@H](O)CNC[C@@H]2CCOC2)cc1 1268334937 NVWPMTXGQOYGBA-SMDDNHRTSA-N 349.391 0.566 10 10 ECCE CC(=O)C(=O)COC(=O)[C@@H](NC(=O)COc1ccccc1)C(C)C 808494831 JTAIMRFBSOAGDA-INIZCTEOSA-N 335.356 0.908 10 10 ECCE COc1ccc(N2CCN(C[C@@H](O)CNC[C@@H]3CCCO3)CC2)cc1 849327747 RILPWDFBJYOJCQ-HKUYNNGSSA-N 349.475 0.947 10 10 ECCE C[C@]12COC[C@@]1(C)CN(Cc1cc(O)n3ncc(C(=O)O)c3n1)C2 849344846 RBHNHMRZFHLJSB-IYBDPMFKSA-N 332.360 0.992 10 10 ECCE CN(C)c1ccc(CNC(=O)C(=O)N2C[C@@H]3CCC[C@H](C2)N3)cc1F 842148793 PLCIHXCXMLCVNY-OKILXGFUSA-N 348.422 0.861 10 10 ECCE COc1cc(N2CCO[C@H](CC(N)=O)C2)c([N+](=O)[O-])cc1OC 858821595 MSTVLOWKGIDIIU-SECBINFHSA-N 325.321 0.693 10 10 ECCE C[C@@H](NC[C@]12COCCN1C(=O)COC2)c1cc(F)cc(F)c1O 866551545 AQMXHYVXARJLQG-QLJPJBMISA-N 342.342 0.949 10 10 ECCE COc1ccc(O)c([C@@H](C)NC(=O)CN2C(=O)NC(C)(C)C2=O)c1 761968988 WUEPYIOQXPXECW-SECBINFHSA-N 335.360 0.908 10 10 ECCE Cc1cc(N(C)C)ccc1CNS(=O)(=O)C[C@@H]1CN(C)CCO1 866796379 DPWLRARYJXZIAU-INIZCTEOSA-N 341.477 0.811 10 10 ECCE CN(C)c1ccc(CNS(=O)(=O)[C@@H]2CC(=O)N(C3CC3)C2)cc1 866425951 XUJCKJLIBLLWGE-OAHLLOKOSA-N 337.445 0.935 10 10 ECCE O=C(C[C@@H]1NC(=O)NC1=O)NCc1ccc(N2CCSCC2)cc1 763929762 GMBRXSMTIUXFOS-ZDUSSCGKSA-N 348.428 0.454 10 10 ECCE NC(=O)[C@@H]1C[C@@H](O)CN1Cc1cc(Br)cc(F)c1O 895371266 OFMSNOKMMURRPU-SCZZXKLOSA-N 333.157 0.714 10 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COc1ccc(N2CC[C@H](NC(=O)C(=O)N[C@@H](C)C[C@@H](C)N)C2)cc1 851689790 UZPLEHBCSKCXDC-RDBSUJKOSA-N 348.447 0.632 10 10 ECCE CCCN(Cc1ccccc1O)C(=O)C(=O)NCC1(N)CCOCC1 861796206 TYDDSUJKAODIRN-UHFFFAOYSA-N 349.431 0.755 10 10 ECCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CCc2nnc(O)n2C1 1138153170 ZIFORUZJXNNWFR-KOLCDFICSA-N 332.360 0.705 10 10 ECCE CN(CCc1cnccn1)C(=O)C(=O)N1Cc2cccc(O)c2C1 1332013351 NZSHVEWVAPWFEL-UHFFFAOYSA-N 326.356 0.726 10 10 ECCE C[C@H](CN1CCOCC1)N(C)C(=O)C(=O)N1Cc2cccc(O)c2C1 1351906256 GZFPNMMAYXWRPI-CYBMUJFWSA-N 347.415 0.414 10 10 ECCE NC(=O)N=Nc1ccc(C(=O)NCCNC(=O)CN2CCCC2)cc1 1283025431 SGRUQGSTWOTLSB-UHFFFAOYSA-N 346.391 0.791 10 10 ECCE COc1cc(C(=O)N[C@H](C)CCNC(=O)c2ncc[nH]2)cc(OC)n1 1284427931 OPLYGXSYVJVETM-SNVBAGLBSA-N 347.375 0.760 10 10 ECCE C[C@@H]1C[C@@H](NC(=O)Cc2ccc(O)c(O)c2)C(=O)N1c1cnn(C)c1 1629050402 WSPSPILYKGDCAZ-ZWNOBZJWSA-N 344.371 0.684 10 10 ECCE CNS(=O)(=O)CCNC(=O)c1cc2cc(O)c(O)cc2s1 1625432357 FSDUYUZKOSTLEK-UHFFFAOYSA-N 330.387 0.592 10 10 ECCE 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CN(C)c1ccc(CNC(=O)c2ccnc(S(C)(=O)=O)n2)cc1 839222875 ADXNPDWOTZTHAV-UHFFFAOYSA-N 334.401 0.876 10 10 ECCE CCN1CCN(C2CN(C(=O)/C=C\c3ccc(O)c(O)c3)C2)CC1 1124053077 KXMVOFAXBDJVHD-XQRVVYSFSA-N 331.416 0.959 10 10 ECCE O=C(C(=O)N1CCOC2(CCOCC2)C1)N1Cc2cccc(O)c2C1 1329478677 OBSJXBRQCMXTCS-UHFFFAOYSA-N 346.383 0.642 10 10 ECCE CCC(=O)N1CCCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)CC1 1331951366 RDCREQNCUBDQIK-UHFFFAOYSA-N 345.399 0.705 10 10 ECCE CC[C@H](F)C(=O)NC[C@@H](CO)NC(=O)c1cc(OC)nc(OC)c1 1511064513 QTERHSVIWXCNOL-QWRGUYRKSA-N 343.355 0.054 10 10 ECCE CN(Cc1ccc(N2CCCC2)cc1)C(=O)CN1CCNC(=O)C1 1290375283 YOVHLPPAQGUTNS-UHFFFAOYSA-N 330.432 0.677 10 10 ECCE O=S1(=O)N[C@H]2CN(Cc3ccccc3O)C[C@@H]2Oc2ncccc21 1615262773 LDHBHESZNGIKLU-JSGCOSHPSA-N 347.396 0.711 10 10 ECCE CN(CCCNC(=O)c1ccc(N=NC(N)=O)cc1)[C@H]1CCNC1=O 1490283370 NRLPZGFGDUUIPZ-ZDUSSCGKSA-N 346.391 0.789 10 10 ECCE CNC(=O)[C@@H](C)NCCN(C)C(=O)c1ccc(N=NC(N)=O)cc1 1567614998 FMCUZTLVUMTBOO-SNVBAGLBSA-N 334.380 0.645 10 10 ECCE 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ECCE COc1ccc(CNC[C@@H](C)N(C)C(=O)Cn2ncnn2)cc1C 1482282561 AIBDQMJIAZRSMJ-CYBMUJFWSA-N 332.408 0.627 10 10 ECCE COc1cc(C(=O)N[C@H](C)CNC(=O)c2n[nH]cc2C)cc(OC)n1 1758776568 PAKHEFPVPCQVNS-SNVBAGLBSA-N 347.375 0.679 10 10 ECCE CNCc1ccc(N2CCOC[C@H]2[C@@H](O)CO)cc1Br 2146325504 GQVLDUZURJNXFA-KBPBESRZSA-N 345.237 0.727 10 10 ECCE NCc1ccc(N2CCN(C[C@H](O)CO)CC2)cc1Br 2178030274 OESFNVRTXTVXFD-ZDUSSCGKSA-N 344.253 0.383 10 10 ECCE CC1=NN(c2nc(C)cc(C)n2)C(=O)/C1=C\NCCN1CCNCC1 23477185 WMAVUPZMPJETIC-PTNGSMBKSA-N 343.435 0.195 10 10 ECCE CC(C)(C)OC(=O)N1[C@H](COc2nnc(=N)[nH]n2)C[C@H]2COC[C@H]21 2213786200 VVUROIBVYIMOIJ-LPEHRKFASA-N 338.368 0.082 10 10 ECCE CC(=O)C(=O)COC(=O)C[C@H]1COCCN1C(=O)OC(C)(C)C 808551113 YVFZTBSBONGNIO-NSHDSACASA-N 329.349 0.714 10 10 ECCE COc1cnc(NC(=O)C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)nc1 845947989 WNGVBMGRMQXPMS-VIFPVBQESA-N 346.343 0.582 10 10 ECCE COC(=O)NCCNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 852374028 QPUBNKSEFRVFFO-LBPRGKRZSA-N 336.392 0.929 10 10 ECCE 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COc1ccc(-n2nnnc2CNC[C@@H](C)NC(=O)[C@@H](C)OC)cc1 1274693393 JQMDWQXJZWRBJS-VXGBXAGGSA-N 348.407 0.300 10 10 ECCE CS(=O)(=O)N1CCC(CNC(=O)Cc2ccc(O)c(O)c2)CC1 1624529981 XEEBKFBRWGNQGJ-UHFFFAOYSA-N 342.417 0.428 10 10 ECCE CC[C@@H](O)Cn1cc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)nn1 1624954128 DVNCDPXUKADZRQ-CMPLNLGQSA-N 334.376 0.821 10 10 ECCE CN(CCN=[N+]=[N-])C(=O)[C@@H]1CNC(=O)CN1C(=O)OC(C)(C)C 1985105736 SVSIXNCQFNCFFI-VIFPVBQESA-N 326.357 0.491 10 10 ECCE CCN1CCN(C(=O)c2cnn3c(O)cc(C)nc23)C[C@]12CCOC2 2064358712 UUNZMZUXWAAJQM-KRWDZBQOSA-N 345.403 0.680 10 10 ECCE C[C@@H](O)c1ccc(N2C[C@H](O)[C@H](O)[C@@H](CO)C2)cc1Br 2289499192 TUISXQLEZJFYBP-NHPAQXRMSA-N 346.221 0.653 10 10 ECCE CC(C)(C)OC(=O)NC(CO)(CO)C(=O)NCc1ccc(N)cc1 2303916800 VYNMBWPMYHPZCY-UHFFFAOYSA-N 339.392 0.133 10 10 ECCE O=C1/C(=C\NNCCO)C(O)=NC(=S)N1c1ccc(Cl)cc1 38176654 HHBNJDROOZOIDP-YFHOEESVSA-N 340.792 0.898 10 10 ECCE CNS(=O)(=O)NCC(=O)NCc1ccc(N2CCCCC2)cc1 822818968 LRDSTIOWZFUSBL-UHFFFAOYSA-N 340.449 0.347 10 10 ECCE 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COc1ccc(CNC[C@@H](C)NC(=O)C2CC(=O)NC(=O)C2)cc1C 1732973546 DZDOTLKZDYOYTQ-GFCCVEGCSA-N 347.415 0.651 10 10 ECCE COc1ccc(CN[C@H](C)CNC(=O)[C@H]2CN(C)CCO2)cc1C 1662189731 KBXKLXJQFYKOOO-RHSMWYFYSA-N 335.448 0.929 10 10 ECCE C[C@H](O)CN1CCN(CC(=O)NCc2ccc(N(C)C)cc2)C[C@H]1C 247102850 IJQVDNASKIVKKR-CVEARBPZSA-N 348.491 0.756 10 10 ECCE CC(=O)C(=O)COC(=O)c1ccc(F)c(S(=O)(=O)N(C)C)c1 808506030 COFRQAHUDKMBNZ-UHFFFAOYSA-N 331.321 0.391 10 10 ECCE COc1ccc(O)c(CNC(=O)CS(=O)(=O)NC(C)(C)C)c1 734015462 LYFGWWYXKXVYMI-UHFFFAOYSA-N 330.406 0.735 10 10 ECCE COc1ccc(N2CC[C@H](NC(=O)Cn3cc(C(C)=O)nn3)C2)cc1 855224518 LHGZVYMGTBAZAC-ZDUSSCGKSA-N 343.387 0.884 10 10 ECCE CCS(=O)(=O)CC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 855230118 NFRYAKQQDFHUCO-LBPRGKRZSA-N 326.418 0.825 10 10 ECCE O=C(NCc1ccc(N2CCC(O)CC2)cc1)[C@]12CNC[C@H]1COC2 852868545 IRWKUGBDSORNRS-KXBFYZLASA-N 345.443 0.500 10 10 ECCE CNC(=O)NCC(=O)N1CC[C@@H](CNCc2ccc(OC)c(C)c2)C1 1317321112 CWLLMJNZNGIUFV-HNNXBMFYSA-N 348.447 0.871 10 10 ECCE COc1ccc(CN[C@H](C)CNC(=O)C[C@H]2CC(=O)NC2=O)cc1C 1714311866 OOOLZFKQAJNSPG-OCCSQVGLSA-N 347.415 0.651 10 10 ECCE C[C@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)N[C@H]1CCN(C)C1=O 1774050390 WVOPEEYERFUKCA-MFKMUULPSA-N 346.391 0.788 10 10 ECCE NC(=O)CN1CCN(c2ccc(CO)cc2Br)CC1 700784494 SZBSDAWQQNNLHZ-UHFFFAOYSA-N 328.210 0.549 10 10 ECCE CC(C)(C)OC(=O)NCC(=O)NCC(=O)N[C@@H]1CCC[C@H]1N=[N+]=[N-] 2213590191 KNIAXKHPMLRDMI-NXEZZACHSA-N 340.384 0.975 10 10 ECCE C[C@H]1C(=O)N(C)CN1C(=O)NCc1ccc(N2CCOCC2)cc1 825752760 AJXLGLFRSGPVPH-ZDUSSCGKSA-N 332.404 0.853 10 10 ECCE COc1ccc(N2CC[C@H](NC(=O)C(=O)NC[C@H]3CCCN3)C2)cc1 851688356 XXQBMIKJVPDHJS-KGLIPLIRSA-N 346.431 0.258 10 10 ECCE CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)NCc1c(O)cccc1O 1304053084 BXOWTYRDZCOXAP-GFCCVEGCSA-N 330.406 0.678 10 10 ECCE COc1ccc(N2CCN(C(=O)NCc3nc(N)n[nH]3)CC2)cc1F 1683464706 KNWIEPDLIRTEEK-UHFFFAOYSA-N 349.370 0.566 10 10 ECCE COc1cc(C(=O)N[C@@H](C)CNC(=O)Cc2cnc[nH]2)cc(OC)n1 1688187682 DERRMBCSXVFQES-JTQLQIEISA-N 347.375 0.299 10 10 ECCE COc1ccc(CNCCCN(C)C(=O)Cn2ncnn2)cc1C 1699506516 GIFYHKZRBULAHC-UHFFFAOYSA-N 332.408 0.628 10 10 ECCE CC(C)(C)OC(=O)N[C@@H](CO)CNCc1ccc(O)c(O)c1O 1985853049 INGMJDAIKAGEPI-SNVBAGLBSA-N 328.365 0.779 10 10 ECCE Cc1cc(O)n2ncc(C(=O)N3CCO[C@@H]([C@H]4CCCO4)C3)c2n1 2062786232 HCAHMMRUQJRGMA-CHWSQXEVSA-N 332.360 0.763 10 10 ECCE CC(C)(C)OC(=O)N[C@H](CCOc1nnc(=N)[nH]n1)C(F)(F)F 2210652063 QQLZROOUVHVZIL-ZCFIWIBFSA-N 338.290 0.904 10 10 ECCE CC(C)(C)OC(=O)N1C[C@@H](COc2nnc(=N)[nH]n2)OC(C)(C)C1 2213778063 BPTMQMLAFZHXRI-VIFPVBQESA-N 340.384 0.472 10 10 ECCE COc1cccc(N2C(=O)NC(=O)C(=CNC[C@H]3CCCO3)C2=O)c1 2297317998 WQRSDCWQHLKSMR-CYBMUJFWSA-N 345.355 0.931 10 10 ECCE CN(C)c1ccc(CNC(=O)CN[C@H](CO)[C@H]2CCCOC2)cc1 1195137426 SUZDFALOTZTHHX-DOTOQJQBSA-N 335.448 0.746 10 10 ECCE O=C1COCCN1CC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 279250337 IBMWLXKOUMXVAX-HNNXBMFYSA-N 348.399 0.759 10 10 ECCE CN[C@H]1C(=O)Nc2cc(N(C)CCC(N)=O)c(Br)cc21 723158416 MBDIJBAPKDQFPF-GFCCVEGCSA-N 341.209 0.973 10 10 ECCE COc1cccc(CNC(=O)Cn2cnc3c(cnn3C)c2=O)c1O 727762550 PCGKCAGROPFGPB-UHFFFAOYSA-N 343.343 0.161 10 10 ECCE Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)CN1CC(=O)NC1=O 839919487 RGWCUBLISXWTTF-LBPRGKRZSA-N 332.404 0.660 10 10 ECCE C[C@@H]1CCNC[C@@H]1NC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 842265305 DRMUEZWNZYLOJM-CJNGLKHVSA-N 332.448 0.825 10 10 ECCE CN(C)c1ccc(CNC(=O)CN2CCN3C[C@H](O)C[C@H]3C2)cc1 847041965 DHIGTCPFSQGOAC-DLBZAZTESA-N 332.448 0.120 10 10 ECCE COc1ccc(N2CCN(C(=O)C[C@H](C)NC(N)=O)CC2)cc1F 847557646 UQFYNPASOAKHGK-NSHDSACASA-N 338.383 0.930 10 10 ECCE COc1ccc(N2CC[C@H](NC(=O)[C@H](O)Cc3cnn(C)c3)C2)cc1 855226476 QCMMCBNMFBBZMZ-WMLDXEAASA-N 344.415 0.727 10 10 ECCE COc1ccc(O)c(CNC(=O)[C@@H]2[C@H]3CC[C@]4(COC(=O)[C@H]24)O3)c1 860242567 WAIZWMWULVZEAU-VWPFQQQWSA-N 333.340 0.738 10 10 ECCE C[C@H]1CN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CCN1CCO 777831871 KXIFKTBJXQKMDP-JTQLQIEISA-N 336.348 0.429 10 10 ECCE CN(CCCCO)C(=O)C(=O)NCc1ccc(N2CCOCC2)cc1 788312590 KCKQYKKNVFDGQR-UHFFFAOYSA-N 349.431 0.370 10 10 ECCE CCN1CC[C@@H]1CNC(=O)C(=O)NCc1ccc(N(C)C)c(F)c1 897579691 FATACMYRFIYYCF-CYBMUJFWSA-N 336.411 0.718 10 10 ECCE CC[C@H](NC(C(N)=O)C(N)=O)c1cc(Br)ccc1O 695290051 UIIOZQPOGMYUOF-QMMMGPOBSA-N 330.182 0.535 10 10 ECCE COc1ccc(CNC[C@@H](C)N(C)C(=O)[C@H]2CN(C)C(=O)N2)cc1C 1319512142 VVNYEWHUQUDVLS-UKRRQHHQSA-N 348.447 0.964 10 10 ECCE COc1ccc(-n2nnnc2CN[C@@H](CNC(C)=O)C2CC2)cc1 1266393031 POMZOPVGTPOAHI-HNNXBMFYSA-N 330.392 0.675 10 10 ECCE Cn1cc(/C=C\C(=O)NCc2cccc(Cl)c2O)c(=O)n(C)c1=O 1647826601 BCRYTTDUECIYMO-SREVYHEPSA-N 349.774 0.773 10 10 ECCE COc1ccc(CN[C@H](CNC(=O)[C@@H]2CNC(=O)N2)C2CC2)cc1C 1731406250 PHMJURNGAQPHHW-CABCVRRESA-N 346.431 0.669 10 10 ECCE COc1ccc(CNC[C@H](C)NC(=O)c2cn(C)c(=O)n2C)cc1C 1669753473 QAGLTMMSPLREGF-ZDUSSCGKSA-N 346.431 0.949 10 10 ECCE CN1C[C@H](C(=O)O)N(Cc2ccc(Br)cc2O)CC1=O 1968209911 YOGYQVHLTIPPNO-SNVBAGLBSA-N 343.177 0.882 10 10 ECCE CS(=O)(=O)[C@@H]1CNC[C@@H]1Nc1c(N)cccc1Br 2072524352 BXAFQWCWMNVUHF-VHSXEESVSA-N 334.239 0.828 10 10 ECCE 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COc1ccc(N2CCN(CCNC(=O)c3ncc[nH]3)CC2)cc1 824285194 AZLGXDVIGNQQJE-UHFFFAOYSA-N 329.404 0.970 10 10 ECCE COc1ccc(N2CC[C@H](NC(=O)CCNS(C)(=O)=O)C2)cc1 855233410 YEGGJEYTRCESET-LBPRGKRZSA-N 341.433 0.329 10 10 ECCE COC(=O)CC[C@H](N)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 852843868 ITUCJZVBMMGGOK-WFASDCNBSA-N 335.404 0.671 10 10 ECCE COc1ccc(N2CC[C@H](NC(=O)N3CCNC(=O)[C@@H]3C)C2)cc1 854301243 LSQDTIBZLFMBBR-STQMWFEESA-N 332.404 0.804 10 10 ECCE COc1ccc(N2CCN(CCNC(=O)NCC3COC3)CC2)cc1 1118859323 HWRHXEZUIWUMLT-UHFFFAOYSA-N 348.447 0.763 10 10 ECCE COc1ccc(CNC[C@H](O)CNC(=O)c2cc[n+]([O-])cc2)cc1C 1272360106 AKMUIMDDHVEYJX-INIZCTEOSA-N 345.399 0.518 10 10 ECCE COc1ccc(CN[C@@H](CO)CNC(=O)Cc2ccn(C)n2)cc1C 1507193208 JPKZUPJCGOKJEF-MRXNPFEDSA-N 346.431 0.547 10 10 ECCE COc1cc(C(=O)N[C@H](C)CNC(=O)c2nonc2C)cc(OC)n1 1737569386 UDCQOIITXDUPQL-MRVPVSSYSA-N 349.347 0.339 10 10 ECCE CN1C[C@@H](C(=O)NCCCN=[N+]=[N-])N(C(=O)OC(C)(C)C)CC1=O 1963704538 QMINYJIZAAOTAN-JTQLQIEISA-N 340.384 0.881 10 10 ECCE Cc1cc(O)n2ncc(C(=O)N[C@@H](C)[C@H](C)N3CCOCC3)c2n1 2064960611 WIYZHASWJIMQRK-RYUDHWBXSA-N 333.392 0.582 10 10 ECCE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H](CCOc2nnc(=N)[nH]n2)O1 2213790375 SQKTVMHBQVVJNI-NXEZZACHSA-N 340.384 0.472 10 10 ECCE CC(=O)C(=O)COC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 808533996 DJGCNTGJXYEGEP-UHFFFAOYSA-N 336.300 0.746 10 10 ECCE CS(=O)(=O)Nc1ccc(O)c(C(=O)OC[C@@H]2COCCO2)c1 837467186 ZVHIJKUZRATYCG-JTQLQIEISA-N 331.346 0.336 10 10 ECCE O=C(NCc1ccc(N2CCOCC2)cc1)N1CCC(CO)(CO)C1 853474988 VPJRPDSYDKNRAC-UHFFFAOYSA-N 349.431 0.410 10 10 ECCE COc1cccc(CNS(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c1O 751306084 PWSSDEIJBNMFDU-GHMZBOCLSA-N 330.406 0.844 10 10 ECCE CC(C)(C)NS(=O)(=O)CC(=O)NCCc1ccc(O)c(O)c1 762267303 CAESMGVXUZCOBX-UHFFFAOYSA-N 330.406 0.474 10 10 ECCE COc1ccc(-n2nnnc2CNC2(CNC(C)=O)CCC2)cc1 1280464506 TVULIUFEROCNQL-UHFFFAOYSA-N 330.392 0.819 10 10 ECCE C[C@H](NC(=O)Cn1c(O)nnc1O)c1ccc(N2CCOCC2)cc1 1631363067 AUJWNPKZRGOEEZ-NSHDSACASA-N 347.375 0.403 10 10 ECCE O=C(NCc1c(O)cccc1F)NCc1nnc2c(=O)[nH]ccn12 1687639899 OZRMMLZZHZECSH-UHFFFAOYSA-N 332.295 0.262 10 10 ECCE COC(=O)[C@H](N)CS(=O)(=O)Nc1cc(Cl)c(O)c(Cl)c1 2286046519 CJIQLSFSEFHSNL-MRVPVSSYSA-N 343.188 0.941 10 10 ECCE CC1=NN(c2nc(C)cc(C)n2)C(=O)C1=CNCCN1CCOCC1 2313683494 SJBBRLXIZGUWAA-UHFFFAOYSA-N 344.419 0.622 10 10 ECCE CCOc1cccc(CN2CCS(=O)(=O)C[C@H]2C(=O)OC)c1O 276742410 JDOKOJACLKAKPR-LBPRGKRZSA-N 343.401 0.563 10 10 ECCE COc1ccc(N2CC[C@H](CNC[C@@H](O)CN3CCOCC3)C2)cc1 819381552 YOPZNWNJRATJRI-SJLPKXTDSA-N 349.475 0.804 10 10 ECCE COc1ccc(N2CC[C@H](NC(=O)C(=O)NCC3(C)COC3)C2)cc1 828137429 RNCJMAWRKULTIM-ZDUSSCGKSA-N 347.415 0.543 10 10 ECCE CN(CCN1CCCS1(=O)=O)C(=O)NCCc1ccc(N)cc1 831178642 VGWJWVQBOQUSRE-UHFFFAOYSA-N 340.449 0.488 10 10 ECCE COC(=O)/C=C/c1ccc(N2CC[C@H](O)[C@H](CO)C2)c([N+](=O)[O-])c1 840384166 CRLUOTHGKAEPPW-NSAARLCDSA-N 336.344 0.961 10 10 ECCE CNCCOCCNC(=O)C(=O)NCc1ccc(N2CCCC2)cc1 861765368 ARNWPDRTOOBZKC-UHFFFAOYSA-N 348.447 0.255 10 10 ECCE CN1C2(CCC2)COC[C@]1(CO)CNC(=O)c1cc(O)cs1 862642383 HPEQERQLEUHAKC-OAHLLOKOSA-N 326.418 0.799 10 10 ECCE O=C(CCc1nn[nH]n1)NCc1ccc(N2CCC(CO)CC2)cc1 1629879555 PDPLQBKCEVUOPI-UHFFFAOYSA-N 344.419 0.657 10 10 ECCE Nc1ccnn1CC(=O)NCc1ccc(N2CCC(O)CC2)cc1 1633794443 QRFYGLAGPFWFBT-UHFFFAOYSA-N 329.404 0.743 10 10 ECCE COc1ccc(-n2nnnc2CNC2(CNC(=O)C3CC3)CC2)cc1 1499143643 BLDUVNTUCUJOMT-UHFFFAOYSA-N 342.403 0.819 10 10 ECCE CN(C)C(=O)CNCCN(C)C(=O)c1ccc(N=NC(N)=O)cc1 1731990049 SFSNZBMDZAQELG-UHFFFAOYSA-N 334.380 0.599 10 10 ECCE COc1cc(C(=O)NC[C@H](CO)NCc2ccc(OC)c(C)c2)on1 1676524607 MCKIVIASIWOSHR-CYBMUJFWSA-N 349.387 0.881 10 10 ECCE COc1ccc(N2CC[C@H](CNC(=O)C[C@@H]3NC(=O)NC3=O)C2)cc1 819586319 NFJNDISOWAOBAN-RISCZKNCSA-N 346.387 0.236 10 10 ECCE Cc1cc(CC(=O)N2CC(O)(C(N)=O)C2)c(C)n1-c1ccccc1 913071161 MHDFLBUMBMTQOT-UHFFFAOYSA-N 327.384 0.695 10 10 ECCE CN(C)c1ccc(CNC(=O)C(=O)N2CC[C@]3(CCCNC3)C2)cc1 842037362 ZQEXDDGRHVSBQU-IBGZPJMESA-N 344.459 0.971 10 10 ECCE C[C@@H]1CNCC[C@@H]1NC(=O)C(=O)NCc1ccc(N(C)C)c(F)c1 842149377 XOTZLGNKRTUQLZ-RISCZKNCSA-N 336.411 0.622 10 10 ECCE CC(C)(C)OC(=O)N[C@H](CS(C)(=O)=O)C(=O)NCCCN=[N+]=[N-] 1899534268 HRTFXCVHGAAONQ-SECBINFHSA-N 349.413 0.741 10 10 ECCE NC[C@H]1CC(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)=NO1 852860076 JHWLBZMSHOQPCM-MRXNPFEDSA-N 346.431 0.615 10 10 ECCE CC1(C(=O)O)CCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)CC1 868342043 GBVSNOIKGJFGRT-UHFFFAOYSA-N 332.356 0.948 10 10 ECCE COC(=O)CCNC(=O)CCNC(=O)/C=C\c1ccc(O)c(O)c1 863156774 BHZUXDZDGYDPGN-HYXAFXHYSA-N 336.344 0.297 10 10 ECCE CN(Cc1ccccc1O)C(=O)C(=O)N1CC[C@H]2[C@@H](CCN2C)C1 1119015323 NHRGYCQRKZVNEI-ZFWWWQNUSA-N 331.416 0.903 10 10 ECCE COc1ccc(N2CCN(CCNC(=O)CC3OCCO3)CC2)cc1 793245952 FGBACIHDKZAACI-UHFFFAOYSA-N 349.431 0.696 10 10 ECCE CC1=C(C(=O)NCc2ccc(N(C)C)c(F)c2)Cn2nnnc2N1C 1142565830 LUKCPOUPSUKCAL-UHFFFAOYSA-N 345.382 0.918 10 10 ECCE COC(=O)c1ccn(CC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)n1 1556157903 MLCVCHRZSWODGV-SNVBAGLBSA-N 333.344 0.828 10 10 ECCE CCN1C(=O)[C@H]2CN(C(=O)Cc3ccc(O)c(O)c3)CCN2C1=O 1635249175 CDWBCWDULLVUDH-LLVKDONJSA-N 333.344 0.135 10 10 ECCE O=C(Cc1ccc(O)c(O)c1)N(C1CC1)[C@@H]1CCS(=O)(=O)C1 1585366244 XZKAYIPYHPWSKV-GFCCVEGCSA-N 325.386 0.818 10 10 ECCE Cc1cccc(N2CCN(C(=O)C[C@H]3C(=O)NN(C)C3=O)CC2)c1C 169995865 FEHUEVMVIBXYAC-AWEZNQCLSA-N 344.415 0.462 10 10 ECCE CCOC(=O)[C@@H]1NC(=O)N([C@@H]2CCN(c3ccc(OC)cc3)C2)C1=O 849357532 NAZCVSOGUQMHGQ-TZMCWYRMSA-N 347.371 0.757 10 10 ECCE COc1ccc(N2CC[C@H](NC(=O)NCC(=O)N(C)OC)C2)cc1 854183838 NWVCLOOBLMCKSN-LBPRGKRZSA-N 336.392 0.593 10 10 ECCE N[C@@H]1CN(C(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)CC[C@H]1F 851684344 GAXJKGIFPMOJBO-HZPDHXFCSA-N 346.406 0.577 10 10 ECCE COCCn1cc(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)nn1 855227557 XUTOUTMUUDNWFH-ZDUSSCGKSA-N 345.403 0.942 10 10 ECCE COc1ccc(N2CCN(CCNC(=O)NCCN(C)C)CC2)cc1 762423105 GGRYAQUOIPMGTG-UHFFFAOYSA-N 349.479 0.678 10 10 ECCE Nc1ncnc2c1ncn2CCC(=O)NCc1cccc(O)c1O 1303195593 WXZMMOLZCNRUCU-UHFFFAOYSA-N 328.332 0.526 10 10 ECCE COc1ccc(CNC[C@@H](C)N(C)C(=O)[C@@H]2CN(C)C(=O)N2)cc1C 1319512141 VVNYEWHUQUDVLS-HIFRSBDPSA-N 348.447 0.964 10 10 ECCE CN1CC[C@H]2CN(C(=O)C(=O)N3Cc4cccc(O)c4C3)CC[C@@H]21 1329538547 UMDJYMKXEARBAI-ZFWWWQNUSA-N 329.400 0.787 10 10 ECCE CNC(=O)NCC(=O)NCC[C@H](C)NCc1ccc(OC)c(C)c1 1267131958 VNNGRTSRBZCBKZ-ZDUSSCGKSA-N 336.436 0.917 10 10 ECCE NC(=O)C1CCN(c2ccc(CNC(=O)NCCCO)cc2)CC1 1479344103 OFZZICRFGRHIJQ-UHFFFAOYSA-N 334.420 0.570 10 10 ECCE NS(=O)(=O)CCCCCCC(=O)NCc1c(O)cccc1O 1652625314 BFOOVVWTCDEMLQ-UHFFFAOYSA-N 330.406 0.953 10 10 ECCE COc1ccc(CNC/C=C\CNC(=O)CS(C)(=O)=O)cc1C 1699254023 ADAQIGRZIJBODC-PLNGDYQASA-N 340.445 0.810 10 10 ECCE CNCc1ccc(N2C[C@H](O)[C@H](O)[C@H](CO)C2)cc1Br 2289399521 AGBMELKGOQLTMF-LEWSCRJBSA-N 345.237 0.319 10 10 ECCE COC(OC)C(=O)N1CCN(C(=O)c2ccc(C)c(O)c2O)CC1 912356567 RTDZZCKAOUVUSO-UHFFFAOYSA-N 338.360 0.310 10 10 ECCE COc1ccc(N2CC[C@@H](NCc3cn(CC(N)=O)nn3)C2)cc1 850346970 LRULUYQFSJAHTA-GFCCVEGCSA-N 330.392 0.141 10 10 ECCE CC(C)(NS(C)(=O)=O)C(=O)NCc1ccc2cccnc2c1O 862028113 QEWFXXGQIIJIKP-UHFFFAOYSA-N 337.401 0.884 10 10 ECCE Nc1ccc(CC(=O)N2CC[C@H](N3C(=O)O[C@H]4CNC[C@H]43)C2)cc1 870999288 MJJSHAHEUARBRO-ZNMIVQPWSA-N 330.388 0.205 10 10 ECCE CN1CC[C@@H](N2CCC(NC(=O)Cc3ccc(O)c(O)c3)CC2)C1=O 1467871615 FAVZRJVSENLMOC-CQSZACIVSA-N 347.415 0.452 10 10 ECCE O=C([C@@H]1CCCCN1C(=O)Cc1ccc(O)c(O)c1)N1CCOCC1 1626769412 QKKOPSHJFOMBML-AWEZNQCLSA-N 348.399 0.880 10 10 ECCE CC(C)(C)OC(=O)N1CC(=O)NC[C@@H]1C(=O)NCCCCN=[N+]=[N-] 1963733121 VOFYUESKDKBAKD-SNVBAGLBSA-N 340.384 0.929 10 10 ECCE NCc1ccc(N2CC[C@H](OCC(N)=O)C2)cc1Br 2089132583 DPPUEDJSVFTBMZ-NSHDSACASA-N 328.210 0.988 10 10 ECCE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@H](C(=O)NCCN=[N+]=[N-])O[C@H]2C1 2246732468 LHOAGFOCORXZOA-GARJFASQSA-N 341.368 0.816 10 10 ECCE COCCCn1nc(C(=O)NCc2cc(OC)ccc2O)ccc1=O 830544979 VDMJVHGPEJZCSA-UHFFFAOYSA-N 347.371 0.924 10 10 ECCE Cc1cc(N(C)C)ccc1CNC(=O)NC[C@@H](O)CS(C)(=O)=O 919082059 SPISTXQPUMYPGS-CQSZACIVSA-N 343.449 0.266 10 10 ECCE OCCO[C@@]1(CNCc2ccc(N3CCOCC3)cc2)CCOC1 850357802 VPYXRVBCEAOUDU-GOSISDBHSA-N 336.432 0.781 10 10 ECCE CN(C)c1ccc(CNC[C@]23COCCN2C(=O)COC3)cc1F 865797650 KGZRVOOGQZGWTR-QGZVFWFLSA-N 337.395 0.609 10 10 ECCE CCOC[C@@H]1CN(C(=O)C(=O)N2Cc3cccc(O)c3C2)CCO1 1329882702 VIQQXVWTZJMSIV-ZDUSSCGKSA-N 334.372 0.498 10 10 ECCE COc1ccc(CNC[C@@H](C)CNC(=O)Cn2cnnn2)cc1C 1270354790 FLRLXGSEBOAALD-GFCCVEGCSA-N 332.408 0.532 10 10 ECCE COc1ccc(CNC[C@@H](O)CNC(=O)c2cc(C)nn2C)cc1C 1732634757 RJQOLMXBCOCCKP-OAHLLOKOSA-N 346.431 0.926 10 10 ECCE Cn1cnnc1[C@@H](CO)NC(=O)c1cc2cc(O)c(O)cc2s1 1641930144 FRGPQTOIALCRHJ-MRVPVSSYSA-N 334.357 0.904 10 10 ECCE O=C(Cc1ccc(O)c(O)c1)N1CCN(CC(=O)N2CCCC2)CC1 1587259424 UABJXPBBRQKPIQ-UHFFFAOYSA-N 347.415 0.407 10 10 ECCE COc1ccc(CNC[C@@H](O)CNC(=O)[C@]2(C)CCNC2=O)cc1C 1667888786 VTFHGAHTAKLUNK-RDTXWAMCSA-N 349.431 0.097 10 10 ECCE Nc1ccc(-n2nnc(C(=O)NCCCCN3CCCC3)n2)cc1 1857879231 ZUKPTHGLKWUGEO-UHFFFAOYSA-N 329.408 0.850 10 10 ECCE NC(=O)[C@@H]1C[C@@H](N)CN(Cc2cc(Br)ccc2O)C1 2094665850 LNUGHAMODOYYKG-MWLCHTKSSA-N 328.210 0.789 10 10 ECCE CCOc1cc([N+](=O)[O-])cc(C=C2C(=O)NC(=O)N(C)C2=O)c1O 2297329467 PZLSXECPFAPGMB-UHFFFAOYSA-N 335.272 0.791 10 10 ECCE O=C1Nc2cc(N3CC([C@@H](O)CO)C3)c(Br)cc2[C@H]1O 2361993515 XICXXDZBQPVPHL-NWDGAFQWSA-N 343.177 0.224 10 10 ECCE O=C(O)[C@@H]1CN(C(=O)/C=C\c2ccc(N3CCOCC3)cc2)CCO1 606441781 UKMOBSGMPYSKFC-UYZDIKGJSA-N 346.383 0.848 10 10 ECCE CN(C)c1ccc(CNC(=O)CN2CC[C@@]3(CNC(=O)C3)C2)cc1 375906530 STOCMYXPLPFIHR-GOSISDBHSA-N 330.432 0.581 10 10 ECCE COc1c([N+](=O)[O-])ccc(CN[C@H](C(=O)O)c2ccnn2C)c1O 843038286 FYOKACAQSCBIRY-NSHDSACASA-N 336.304 0.958 10 10 ECCE COc1ccc(N2CC[C@H](NC(=O)NCc3cn(C)nn3)C2)cc1 852248744 LQJRLSJHOIFIAT-LBPRGKRZSA-N 330.392 0.902 10 10 ECCE CN(C)c1ccc([C@@H](N)CNC(=O)c2c[nH]nc2[C@@H]2CCNC2)cc1 852792688 ZQZNFJRFFNOZAL-CJNGLKHVSA-N 342.447 0.982 10 10 ECCE COc1ccc(N2CC[C@@H](NC(=O)C(=O)NC[C@@H]3CCCN3)C2)cc1 851688357 XXQBMIKJVPDHJS-UONOGXRCSA-N 346.431 0.258 10 10 ECCE CN(C)c1ccc([C@H](N)CNC(=O)c2c[nH]nc2[C@H]2CCNC2)cc1 852792691 ZQZNFJRFFNOZAL-XJKSGUPXSA-N 342.447 0.982 10 10 ECCE COC(=O)C1=NOC2(CCN(C(=O)Cc3ccc(O)c(O)c3)CC2)C1 1625051852 WATZBOPRHYRGEA-UHFFFAOYSA-N 348.355 0.951 10 10 ECCE O=C(NCc1ccc(O)cc1O)c1nc2ncc(CCO)cn2n1 1570462958 CFMODGJZXJSTJV-UHFFFAOYSA-N 329.316 0.000 10 10 ECCE CC(C)(C)OC(=O)NCCN(CCO)C(=O)c1cc(O)nc(O)c1 2247428490 MEWJAYVZNLXRDD-UHFFFAOYSA-N 341.364 0.452 10 10 ECCE COc1c([N+](=O)[O-])ccc(CN2CC[C@H](NS(C)(=O)=O)C2)c1O 278212435 KMIOOYNMABSKRD-JTQLQIEISA-N 345.377 0.433 10 10 ECCE Nc1ccc(OCCOn2c(=O)c(=O)oc3cc(C=O)ccc32)cc1 821296509 FFDPLDCWOBEGQE-UHFFFAOYSA-N 342.307 0.857 10 10 ECCE COc1ccc(N2CC[C@@H](NC(=O)Cn3nc(C)n(C)c3=O)C2)cc1 855227571 YCOWQDICMCKFPA-CYBMUJFWSA-N 345.403 0.294 10 10 ECCE COC(=O)/C=C\c1ccc(N2CCC(CO)(CO)C2)c([N+](=O)[O-])c1 853895701 RDXLWEWJOQALNT-HYXAFXHYSA-N 336.344 0.962 10 10 ECCE O=C(C(=O)N1CC[C@H](n2cncn2)C1)N1Cc2cccc(O)c2C1 1119013919 JAEPTSBQOPXOLX-LBPRGKRZSA-N 327.344 0.300 10 10 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COc1ccc(CNC[C@@H](O)CNC(=O)C2=COCCO2)cc1C 1732624877 HVZZNWLVVPYNLY-CQSZACIVSA-N 336.388 0.459 10 10 ECCE COc1ccc(O)c([C@H](C)NC(=O)NCCCc2nnnn2C)c1 1676723317 QSPVCTYTXJEMHK-JTQLQIEISA-N 334.380 0.917 10 10 ECCE CC(C)(C)OC(=O)N1[C@H](COc2nnc(=N)[nH]n2)C[C@@H]2OCC[C@@H]21 2213786728 BOKDMXDIBUQJIT-GUBZILKMSA-N 338.368 0.225 10 10 ECCE CC(C)(O)[C@@H](O)C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 900754937 LQULLZGRNQZFCF-INIZCTEOSA-N 336.432 0.643 10 10 ECCE COc1ccc(N2CC[C@@H](NC(=O)C(=O)Nc3cnsn3)C2)cc1 850537492 QZLLSHOHKFZUKH-SNVBAGLBSA-N 347.400 0.880 10 10 ECCE CCNC(=O)CNC[C@H](C)CNC(=O)c1ccc(N=NC(N)=O)cc1 1319286420 WBHQYNIVKJAPGA-NSHDSACASA-N 348.407 0.941 10 10 ECCE Cc1c(C(=O)NCc2cccc(O)c2O)nnn1-c1cnn(C)c1 1176564752 DXJNQMPBKCELJB-UHFFFAOYSA-N 328.332 0.650 10 10 ECCE C[C@H](CN(C)[C@H]1CCNC1=O)NC(=O)c1ccc(N=NC(N)=O)cc1 1268759102 IPHDACXGHKMJEF-MFKMUULPSA-N 346.391 0.788 10 10 ECCE N=c1nn[nH]n1-c1cccc(C(=O)NCCc2ccc(O)c(O)c2)c1 1465981215 DYQBOYLDSZIHNH-UHFFFAOYSA-N 340.343 0.459 10 10 ECCE COc1cc(C(=O)N[C@H](CO)CNC(=O)C(C)(C)F)cc(OC)n1 1701667285 KKYJUHQFKFELRW-JTQLQIEISA-N 343.355 0.054 10 10 ECCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CNC(=O)c1ncccc1O 1632682145 ZYYLNFQUAXGJJL-SNVBAGLBSA-N 345.355 0.676 10 10 ECCE CC(C)(C)OC(=O)N1C[C@H](COc2nnc(=N)[nH]n2)OCC12CC2 2213783583 RHYCKHSYEUGNNW-SECBINFHSA-N 338.368 0.226 10 10 ECCE CC(C)(C)OC(=O)N1CCN(CCCOc2nnc(=N)[nH]n2)CC1 2213790382 SRPMOSALHTYORS-UHFFFAOYSA-N 339.400 0.001 10 10 ECCE O=C(O)[C@H]1[C@H](O)[C@H](O)CN1Cc1ccc(Br)cc1O 2332873722 MVNRWXMFXSVXSY-GMTAPVOTSA-N 332.150 0.145 10 10 ECCE Cc1ccc(CNC(=O)C[C@H](N)C(=O)O)c(O)c1Br 2352635836 AZPOERVELGEODG-QMMMGPOBSA-N 331.166 0.881 10 10 ECCE COc1ccc(N2CC[C@H](NC(=O)C(=O)N[C@H](C)C[C@H](C)N)C2)cc1 851689789 UZPLEHBCSKCXDC-MJBXVCDLSA-N 348.447 0.632 10 10 ECCE COC[C@H](NC(=O)C(=O)NCCc1ccc(N)cc1)C1CCOCC1 851687944 MHTPLYQEGUZGPZ-INIZCTEOSA-N 349.431 0.485 10 10 ECCE CN1CCC(OCC(=O)N(CC(=O)O)Cc2ccccc2O)CC1 1334224027 UHMDFVIUSMOANV-UHFFFAOYSA-N 336.388 0.916 10 10 ECCE CCOCC(=O)NC1CN(Cc2nnnn2-c2ccc(OC)cc2)C1 1494336245 QEKUUTFCAPQMSS-UHFFFAOYSA-N 346.391 0.008 10 10 ECCE NCc1cc(F)c(N2CC3(C2)OC[C@@H](O)[C@H]3O)cc1Br 2183625692 BIDVCMMPZPVNJD-VXGBXAGGSA-N 347.184 0.358 10 10 ECCE CCOC(=O)c1cnn2c(O)cc(CN(C)CC3(CO)CC3)nc12 275492873 PUQMCNVUBLJKGU-UHFFFAOYSA-N 334.376 0.816 10 10 ECCE Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C(=O)N[C@H]1CCNC1=O 829678524 LQGYLTAAPJVRRN-DOMZBBRYSA-N 346.431 0.113 10 10 ECCE C[C@H]1OCC[C@H]1N(CCO)CC(=O)NCc1ccc(N(C)C)cc1 839590384 UIMPHRZXCZJCGS-RHSMWYFYSA-N 335.448 0.841 10 10 ECCE O=C1CCN(Cc2ccc(N3CCOCC3)cc2)C2(CN1)COC2 931695138 WTJBNIUCSRJHGX-UHFFFAOYSA-N 331.416 0.614 10 10 ECCE O=C(CNS(=O)(=O)c1cccnc1)NCc1ccc(O)cc1O 1142533841 STUGVXIBACBAGC-UHFFFAOYSA-N 337.357 0.088 10 10 ECCE Cc1ccc2c(n1)OCCN2C(=O)/C=C/c1cn(C)c(=O)n(C)c1=O 181602868 ALMHXMIWBUXQEL-FNORWQNLSA-N 342.355 0.226 10 10 ECCE CC(C)CN1CCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)CC1=O 1261863771 JWZWDANIQPSWHB-UHFFFAOYSA-N 345.399 0.561 10 10 ECCE CCCC(=O)N[C@@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@H]1O 1735723298 GRSLBLDKGGIXJN-CHWSQXEVSA-N 347.375 0.951 10 10 ECCE Cc1ccc(CNC(=O)[C@@H](N)CC(=O)O)c(O)c1Br 2352946753 CFMGOPMJNSAOCA-QMMMGPOBSA-N 331.166 0.881 10 10 ECCE COc1ccc(N2CCN(S(=O)(=O)[C@H]3CCCNC3)CC2)cc1 320673380 NPDLOBHEIPYQTF-INIZCTEOSA-N 339.461 0.899 10 10 ECCE CS(=O)(=O)N1CCCC[C@@H]1CNC(=O)c1cccc(O)c1O 804692285 JGNXECNUXWLQIM-SNVBAGLBSA-N 328.390 0.642 10 10 ECCE CN(Cc1ccc(N(C)C)cc1)C(=O)CN1CCC[C@](O)(CO)C1 839149944 YKWLSBNTUNZMCE-GOSISDBHSA-N 335.448 0.530 10 10 ECCE COC[C@H]1C(=O)N[C@H](c2cc(O)cc(Br)c2O)N1C 840828736 LKPKEYINZYYPAU-ONGXEEELSA-N 331.166 0.936 10 10 ECCE COc1cccc(CNS(=O)(=O)[C@@H]2CC(=O)N(C3CC3)C2)c1O 866840240 CDRDXXKOULGWQT-GFCCVEGCSA-N 340.401 0.584 10 10 ECCE O=C(C(=O)N1CC[C@@H](N2CCOC2=O)C1)N1Cc2cccc(O)c2C1 1119024022 ZNFPJPIFHRTNRG-GFCCVEGCSA-N 345.355 0.288 10 10 ECCE COC[C@@]1(C)CN(C(=O)C(=O)N(C)Cc2ccccc2O)CCO1 1328784826 GCBFWJUHSSTCIV-QGZVFWFLSA-N 336.388 0.615 10 10 ECCE 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COc1ccc(CN[C@@H](CO)CNC(=O)[C@@H](C)NC(C)=O)cc1C 1507172881 SZLCTEZSUMEFBC-IUODEOHRSA-N 337.420 0.095 10 10 ECCE COc1ccc(CNC[C@@H](C)NC(=O)c2nnc(O)nc2O)cc1C 1716402699 NHWZRECMJAEYGM-SNVBAGLBSA-N 347.375 0.508 10 10 ECCE CCOCC(=O)N(C)C[C@H](C)NC(=O)c1cc(OC)nc(OC)c1 1572230810 OEJJJYPHJCAIKC-NSHDSACASA-N 339.392 0.712 10 10 ECCE CC(C)OCCOC[C@H](O)CN(C)C(=O)Cc1ccc(O)c(O)c1 1587722891 YVPABYHXIJQYJM-CQSZACIVSA-N 341.404 0.901 10 10 ECCE O=C1NC(=O)[C@@H](C2CN(c3ccc(CO)cc3Br)C2)N1 2184963043 STYIKOCKWNIGNA-LLVKDONJSA-N 340.177 0.586 10 10 ECCE N[C@@H]1C(=O)Nc2cc(N3C[C@H](O)[C@@H](F)C3)c(Br)cc21 2092828958 MPYUWUWLHYQMSH-SWPVVBRQSA-N 330.157 0.920 10 10 ECCE CSc1ncc(CNS(=O)(=O)N2CCC[C@H](CO)C2)s1 2284496028 DSBXHWREYSNUFG-VIFPVBQESA-N 337.492 0.904 10 10 ECCE COc1ccc(CNC2(CNC(=O)[C@H]3CCNC3=O)CC2)cc1C 1269464902 QMZSEAODSNLXTP-AWEZNQCLSA-N 331.416 0.878 10 10 ECCE N[C@H](Cc1ccc(O)c(O)c1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O 196977205 YYYRSTVQCOXQID-KGLIPLIRSA-N 344.367 0.780 10 10 ECCE CN(C)c1ccc(CN(C(=O)Cn2c(O)nnc2O)C2CC2)cc1 1441134271 VQGYOYZHRNFYSN-UHFFFAOYSA-N 331.376 0.947 10 10 ECCE CNC(=O)NCC(=O)NC[C@@H](NCc1ccc(OC)c(C)c1)C1CC1 1566712889 SIODUGBVWKEAEX-OAHLLOKOSA-N 348.447 0.917 10 10 ECCE NCc1cc(F)c(N2CC[C@@](O)(C(N)=O)C2)cc1Br 389409312 KQVGRCQIXASXPM-LBPRGKRZSA-N 332.173 0.473 10 10 ECCE CC(=O)N[C@H]1[C@@H](OCc2ccccc2)O[C@H](CN=[N+]=[N-])[C@@H](O)[C@@H]1O 5726220 MDBICQUTHZWLGW-RYPNDVFKSA-N 336.348 0.465 10 10 ECCE O=C(NCCCSc1nccs1)C(=O)NCC12CC(CN1)C2 851685048 LRPZUBGQNAEMGB-UHFFFAOYSA-N 340.474 0.610 10 10 ECCE C/C=C\[C@H](O)C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 924254252 XHOXYVDQUNLUEU-YPQKKHBXSA-N 331.416 0.942 10 10 ECCE COc1ccc(N2CC[C@H](NC(=O)[C@H]3CCS(=O)(=O)C3)C2)cc1 855229444 MZVWLPALFGZASL-STQMWFEESA-N 338.429 0.825 10 10 ECCE CN(C1CCOCC1)S(=O)(=O)Nc1ccc(O)cc1C(=O)O 776434985 UURQYXXUGDVREO-UHFFFAOYSA-N 330.362 0.858 10 10 ECCE COC(=O)/C=C/c1ccc(N2CC3(C2)NC(=O)NC3=O)c([N+](=O)[O-])c1 1458715408 NZRUAVWWRYZBMM-HWKANZROSA-N 346.299 0.179 10 10 ECCE CNS(=O)(=O)c1ccc(C(=O)NCc2ccc(O)cc2O)o1 1299571093 QAPSWQMWPJZILI-UHFFFAOYSA-N 326.330 0.529 10 10 ECCE Cc1cnc(S(C)(=O)=O)nc1C(=O)NCc1ccc(O)cc1O 1451772454 WGUXMFCPKVIMGE-UHFFFAOYSA-N 337.357 0.530 10 10 ECCE CS(=O)(=O)CC1(CCNC(=O)Cc2ccc(O)c(O)c2)CC1 1640387247 PLQUQVJTQHNQLY-UHFFFAOYSA-N 327.402 0.971 10 10 ECCE COc1cc(C(=O)N[C@@H](C)CNC(=O)C(C)(F)F)cc(OC)n1 1744613816 HJPVFZOAFQFUFB-QMMMGPOBSA-N 331.319 0.989 10 10 ECCE CSc1ncc(CNS(=O)(=O)c2cnc(NN)nc2)s1 2284693298 XNDNLZPFMFTFJN-UHFFFAOYSA-N 332.436 0.419 10 10 ECCE COc1ccc(N2CCN(C(=O)c3c[nH]c(=O)[nH]c3=O)CC2)cc1 82322124 DYXJEMNUOGBNJE-UHFFFAOYSA-N 330.344 0.034 10 10 ECCE CN1C(=O)C(=Cc2cnc(N3CCOCC3)s2)C(=O)N(C)C1=O 263983644 SGPXNEVQKFQSJW-UHFFFAOYSA-N 336.373 0.414 10 10 ECCE Cn1ccc(CNC(=O)C(=O)NCCCSc2nccs2)n1 805700843 VILXMKGXRBRFQG-UHFFFAOYSA-N 339.446 0.791 10 10 ECCE CO[C@@H]1C=C[C@@](CNC(=O)[C@H](C)n2nc(C3CC3)ccc2=O)(OC)O1 585410793 FABOYANHFNBYII-XNJJOIOASA-N 349.387 0.700 10 10 ECCE COc1ccc(N2CCN(CCNC(=O)NC/C=C\CN)CC2)cc1 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N[C@@H]1C[C@@H]2CN(Cc3ccc(Br)cc3O)CCN2C1=O 2173416288 MCXLSMUVOJUEQL-VXGBXAGGSA-N 340.221 0.899 10 10 ECCE C[C@@H](N)c1ccc(N2CC[C@](O)(CO)[C@H](O)C2)cc1Br 2234097999 QOUCYYMAIHJPQF-FZQKWOKYSA-N 345.237 0.763 10 10 ECCE CSc1ncc(CNC(=O)C[C@@H]2CS(=O)(=O)CCN2)s1 2284503637 FDSZHSOPKPNSIN-MRVPVSSYSA-N 335.476 0.258 10 10 ECCE CCc1ccc(N2C(=O)NC(=O)C(=CNCCN(C)C)C2=O)cc1 2296928119 RIRHMOZGNYKXQA-UHFFFAOYSA-N 330.388 0.867 10 10 ECCE CC(C)(C)OC(=O)NC(CO)(CO)C(=O)N1CCC[C@@H]1CN=[N+]=[N-] 2303921612 NAZQUPVJXWEDCP-SNVBAGLBSA-N 343.384 0.536 10 10 ECCE CC(=O)NC1CN(c2cc3c(cc2Br)[C@H](N)C(=O)N3)C1 723181504 GHWDFWQDPUAXMU-LBPRGKRZSA-N 339.193 0.726 10 10 ECCE COc1ccc(N2CCCN(C(=O)[C@]34CNC[C@H]3COC4)CC2)cc1 846673101 OWXWPYCPESDFJZ-KXBFYZLASA-N 345.443 0.970 10 10 ECCE COc1ccc(N2CCN(C[C@@H](O)CN3CC[C@H](N)[C@@H]3C)CC2)cc1 923367548 HHNCSRODBLJVBC-WDYCEAGBSA-N 348.491 0.600 10 10 ECCE C[C@H]1CN(C)C[C@@H]1NCc1ccc(N2CCS(=O)(=O)CC2)cc1 756121348 OXSKEPVQIXAVAN-YOEHRIQHSA-N 337.489 0.961 10 10 ECCE COC[C@H](CCO)NC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 853772553 JAILCJSZZBYPRR-KGLIPLIRSA-N 337.420 0.971 10 10 ECCE NCC1(NC(=O)NCc2ccc(N3CCOCC3)cc2)CCOCC1 861564461 LDBVTAGVRPAGGL-UHFFFAOYSA-N 348.447 0.830 10 10 ECCE COc1ccc(O)c([C@@H](C)NS(=O)(=O)C[C@H]2CNCCO2)c1 866752822 WZHMSXUMZZABMH-ZYHUDNBSSA-N 330.406 0.370 10 10 ECCE COC(=O)C[C@@H]1CS(=O)(=O)CCN1C(=O)c1cc(O)cs1 1454616790 KWRGTWMLHRJCDU-MRVPVSSYSA-N 333.387 0.256 10 10 ECCE CCC(=O)NC[C@@]1(O)CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 1299732153 MRWDTDPZSYIDLV-INIZCTEOSA-N 347.375 0.952 10 10 ECCE CC[C@H](OC)C(=O)NC[C@@H](C)NC(=O)c1cc(OC)nc(OC)c1 1704012423 DNUJSVMPDMCBRF-PWSUYJOCSA-N 339.392 0.758 10 10 ECCE COc1ccc(CNC[C@H](O)CNC(=O)c2cncn2C)cc1C 1716094166 YTHJEADRYGDGJV-AWEZNQCLSA-N 332.404 0.618 10 10 ECCE CC(C)(C)OC(=O)N1CCN(CC(=O)NCCCN=[N+]=[N-])C(=O)C1 1963698653 KTTIOWAHKKBYTN-UHFFFAOYSA-N 340.384 0.882 10 10 ECCE Cn1nnc(Br)c1CNC(=O)COc1ccc(N)cc1 2145591716 OODPETSZZGJFKQ-UHFFFAOYSA-N 340.181 0.855 10 10 ECCE C[C@@H](O)c1ccc(N2CC[C@@](O)(CO)[C@@H](O)C2)c(Br)c1 2234093773 XKBZMTJWQQTDRJ-BIGNPOOSSA-N 346.221 0.797 10 10 ECCE CCOc1cc(C=C2C(=O)NC(=O)N(C)C2=O)ccc1OCC(=O)O 2294131008 SGIUQNCHGYXWQF-UHFFFAOYSA-N 348.311 0.640 10 10 ECCE Cc1nc2n(n1)CCN(c1cc3c(cc1[N+](=O)[O-])OCC(=O)N3)C2 370537910 HOCALFQTFJBMEX-UHFFFAOYSA-N 330.304 0.846 10 10 ECCE O=C(NCCCN1CCCS1(=O)=O)NCc1ccccc1O 726277027 GTJNMRICLXJUJW-UHFFFAOYSA-N 327.406 0.617 10 10 ECCE COc1cccc(O)c1CN1CCO[C@]2(CCS(=O)(=O)C2)C1 843426298 QWNROUXVLVEMSC-OAHLLOKOSA-N 327.402 0.790 10 10 ECCE C[C@H]1CN(c2ccc(CNC(=O)CNC(N)=O)cc2F)C[C@@H](C)O1 918703254 UYEXDMYNJLRIDR-PHIMTYICSA-N 338.383 0.724 10 10 ECCE CN1CCCc2cc(CNC(=O)N3CCOC4(CNC4)C3)ccc21 841757899 CCCZRWHXSKHSEI-UHFFFAOYSA-N 330.432 0.953 10 10 ECCE COc1ccc(N2CC[C@@H](NC(=O)C(=O)NCC3(N)CCC3)C2)cc1 851689212 MIXZHPVBHFBHAR-CYBMUJFWSA-N 346.431 0.388 10 10 ECCE CC(=O)c1cc(F)cc(CN2CCN3CCOC[C@]3(CO)C2)c1O 1473833970 ZSTJBDQDZMVZOI-QGZVFWFLSA-N 338.379 0.613 10 10 ECCE NC(=O)N=Nc1ccc(C(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)cc1 1620656616 SNXORQOFVBMDST-JTQLQIEISA-N 330.304 0.225 10 10 ECCE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](NC(=O)c2cc(O)nc(O)c2)C1 2011487144 IWTDOBZTZQBVFG-UWVGGRQHSA-N 339.348 0.203 10 10 ECCE C[C@@H](O)c1ccc(N2C[C@H](O)[C@@H](O)[C@@H](CO)C2)cc1Br 2289499194 TUISXQLEZJFYBP-ZHMYYEFOSA-N 346.221 0.653 10 10 ECCE CC(=O)N1CCN(c2ccc(CNC(=O)Cn3ccnc3)cc2)CC1 276305782 WLXVLGPTSMZTSZ-UHFFFAOYSA-N 341.415 0.868 10 10 ECCE CN1CCN(c2ccc(CNC(=O)CCc3nn[nH]n3)cc2)CC1 918839130 QBTWNSNWIVSGCZ-UHFFFAOYSA-N 329.408 0.201 10 10 ECCE CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCC12CC(CN1)C2 851690762 IFBXOCJICGOSRN-UHFFFAOYSA-N 344.459 0.969 10 10 ECCE C[C@H](NC(=O)c1cn(C[C@@H]2CNC(=O)O2)nn1)c1ccccc1O 1151899689 GCBXWYKOGDDDOE-UWVGGRQHSA-N 331.332 0.583 10 10 ECCE CN(Cc1ccccc1O)C(=O)C(=O)N1CCC[C@]2(CCNC2)C1 1261424170 OZCXCZJISBDLKY-GOSISDBHSA-N 331.416 0.953 10 10 ECCE O=C(NCc1c(O)cccc1O)c1nc2ncc(CCO)cn2n1 1472063875 RAPBZBWGMQJCHW-UHFFFAOYSA-N 329.316 0.000 10 10 ECCE NC(=O)[C@H]1CCCN1C1CCN(C(=O)Cc2ccc(O)c(O)c2)CC1 1626354723 ZYRWAMLDJBRSFZ-CQSZACIVSA-N 347.415 0.581 10 10 ECCE CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)Cc1ccc(O)c(O)c1 1630467078 QYROLSTYHIGTSZ-LBPRGKRZSA-N 342.417 0.571 10 10 ECCE COc1ccc(O)c([C@H](C)NC(=O)NCCCCS(N)(=O)=O)c1 1686612687 DRRHLBBBOXGKIW-JTQLQIEISA-N 345.421 0.830 10 10 ECCE NC(=O)[C@@H]1CCN1c1cc2c(cc1Br)[C@@H](O)C(=O)N2 2089370336 VGEAPPGWGFKWJU-WCBMZHEXSA-N 326.150 0.499 10 10 ECCE CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H](CO)NC(=O)C(C)C 1467841081 RSWJQEMHKUHDIZ-NSHDSACASA-N 329.393 0.627 10 10 ECCE COC(=O)[C@@H]1CN(C)C(=O)CN1Cc1cc(F)cc(C(C)=O)c1O 1648535749 ZONHEZKXHAXFJI-ZDUSSCGKSA-N 338.335 0.550 10 10 ECCE COc1ccc(CNC[C@H](O)CNC(=O)c2cn(C)c(O)n2)cc1C 1667881334 KBZFGBTXWLQNEI-ZDUSSCGKSA-N 348.403 0.323 10 10 ECCE CC(C)(C)OC(=O)NC[C@@H](COc1nnc(=N)[nH]n1)C(F)(F)F 2210649234 ZQKQREYZYYYIAJ-LURJTMIESA-N 338.290 0.761 10 10 ECCE OCc1ccc(N2C[C@H](O)[C@@H](O)[C@H](CO)C2)c(Br)c1 2273673941 JLOKUXRQEHUOIQ-XDTLVQLUSA-N 332.194 0.092 10 10 ECCE CNCc1ccc(N2CC3(CNC(=O)CO3)C2)c(Br)c1 2289733210 LUDULEDQSNSZMA-UHFFFAOYSA-N 340.221 0.874 10 10 ECCE CCOC(=O)c1cnn2c(O)cc(CN3C[C@H]4COC[C@@H](C3)O4)nc12 801588659 CIGFPZLMTPTLMK-TXEJJXNPSA-N 348.359 0.211 10 10 ECCE CS(=O)(=O)C[C@H](O)CNCc1ccc(N2CCOCC2)c(F)c1 922824691 ZRLDJUKGXCMUMY-CYBMUJFWSA-N 346.424 0.157 10 10 ECCE CN(Cc1ccccc1O)C(=O)C(=O)NCCCCN1CCOCC1 1322104162 PJCNIIJMIFGKRA-UHFFFAOYSA-N 349.431 0.579 10 10 ECCE O=C(CN1C(=O)NC2(CCCCC2)C1=O)NCc1ccc(O)cc1O 1451763962 DKORDXAHRCLKNM-UHFFFAOYSA-N 347.371 0.969 10 10 ECCE COc1ccc(N2CC[C@H](NC(=O)[C@H]3CN4CCN3C[C@H]4C)C2)cc1 1521732274 JLYFMSIZUUZWCZ-RVKKMQEKSA-N 344.459 0.778 10 10 ECCE CN(c1cc2c(cc1Br)[C@H](O)C(=O)N2)[C@@H]1CCNC1=O 1916802501 OEDRFXHIZDGMJR-KOLCDFICSA-N 340.177 0.759 10 10 ECCE CS(=O)(=O)Nc1ccc(O)c(C(=O)NCC[C@H](O)C(F)F)c1 1642441376 FEUDPKKZNJVLFJ-JTQLQIEISA-N 338.332 0.510 10 10 ECCE COc1cc(C(=O)N[C@H](C)CN(C)C(=O)c2ccon2)cc(OC)n1 1735174503 PMNKCHNZCYFWQV-SNVBAGLBSA-N 348.359 0.977 10 10 ECCE Cc1ccc(S(N)(=O)=O)c(C(=O)NCc2cc(O)ccc2O)c1 1593872748 CKMWUVOLKRJJHE-UHFFFAOYSA-N 336.369 0.984 10 10 ECCE COc1ccc(CNC(=O)NCC(=O)N=S(C)(C)=O)c(O)c1 1687253801 QBGDQQYETKRZRN-UHFFFAOYSA-N 329.378 0.454 10 10 ECCE Cc1ccc(O)c(CNC(=O)NCCCn2ccc(O)nc2=O)c1 1774179489 NSDKCBLFVHGBBE-UHFFFAOYSA-N 332.360 0.852 10 10 ECCE COC(=O)[C@@]12CN(C)C[C@@H]1CN(Cc1ccc(O)c(CN(C)C)c1)C2 208477652 VTOZXKHQWPKFLH-VQIMIIECSA-N 347.459 0.990 10 10 ECCE CC(C)(C)OC(=O)N[C@H](CCS(C)(=O)=O)C(=O)NCCN=[N+]=[N-] 1985095476 DYXXJJJPHJKPRD-SECBINFHSA-N 349.413 0.741 10 10 ECCE CN(CCOCCO)c1cc2c(cc1Br)[C@@H](N)C(=O)N2 312567108 LCUBUBMUUMYEEB-GFCCVEGCSA-N 344.209 0.846 10 10 ECCE CN(c1cc2c(cc1Br)[C@H](N)C(=O)N2)[C@H]1COC[C@H]1O 709223920 NMEOUCQXDAEHQE-TUAOUCFPSA-N 342.193 0.597 10 10 ECCE Cc1ccc(CNC(=O)c2n[nH]c(=N)[nH]2)c(O)c1Br 2352624841 LQAYUOHRQJJHBM-UHFFFAOYSA-N 326.154 0.924 10 10 ECCE NC(=O)CN1CCN(Cc2cccc(Br)c2O)CC1 179835153 FCKQDTHJFAYEKV-UHFFFAOYSA-N 328.210 0.758 10 10 ECCE CN(C)c1ccc(CN(C(=O)CN2CC(=O)NC2=O)C2CC2)cc1 264721034 GAMPDDYHONWCDD-UHFFFAOYSA-N 330.388 0.795 10 10 ECCE COc1ccc(O)c(CNC(=O)c2ccc(S(N)(=O)=O)cn2)c1 770553142 IKGPVVWKEFGRSQ-UHFFFAOYSA-N 337.357 0.373 10 10 ECCE COC(=O)[C@@]1(CNCc2ccc(F)c(F)c2O)C[C@@H]1S(C)(=O)=O 895509808 ANLMUBUBTSVLFW-IINYFYTJSA-N 349.355 0.736 10 10 ECCE C[C@@H]1C[C@H]1NC(=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C 1333189805 MOJWNBHTBPGBKZ-DAXOMENPSA-N 332.448 0.996 10 10 ECCE COC(=O)[C@@H](O)CCNC(=O)c1cc2cc(O)c(O)cc2s1 1457377977 PFOVTORLEXZVHM-QMMMGPOBSA-N 325.342 0.966 10 10 ECCE O=C(Cc1ccc(O)c(O)c1)N1CC[C@@H](c2cc(O)nc(O)n2)C1 1469717864 VYJVPGCEHMMDGZ-SNVBAGLBSA-N 331.328 0.858 10 10 ECCE COC[C@@H](C)C(=O)NC[C@@H](C)NC(=O)c1cc(OC)nc(OC)c1 1720900816 LVPABLFMYRZVID-GHMZBOCLSA-N 339.392 0.616 10 10 ECCE Cc1cc(C(=O)NCc2c(O)cccc2O)ccc1S(N)(=O)=O 1647270687 XHDQETSNBUWDTD-UHFFFAOYSA-N 336.369 0.984 10 10 ECCE C[C@@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)NCC(=O)NC1CC1 1731639884 RNZHIIBDWHCQKQ-JTQLQIEISA-N 346.391 0.836 10 10 ECCE O=C1NC(=O)[C@]2(CCN(c3ccc(CO)cc3Br)C2)N1 2170608144 UJMBJHUQDKIBMZ-CYBMUJFWSA-N 340.177 0.730 10 10 ECCE NC(=O)[C@H]1CN(Cc2c(O)cccc2Br)C[C@@H]1C(N)=O 707164281 SIHZAJJACCDSLL-YUMQZZPRSA-N 342.193 0.173 10 10 ECCE COc1ccnc(N2CCN(C(=O)c3cccc(O)c3O)CC2)n1 274947105 HJAGAOQYVTVUQN-UHFFFAOYSA-N 330.344 0.859 10 10 ECCE Cn1nncc1CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 822689004 WSIUVPWTTKFPAO-UHFFFAOYSA-N 333.367 0.650 10 10 ECCE CN(C)C(=O)CCN1CCN(Cc2cc3c(cc2O)OC[C@@H]3O)CC1 768461856 GHSWWUYUULOFKD-INIZCTEOSA-N 349.431 0.414 10 10 ECCE COc1ccc(CN[C@H](C)CN(C)C(=O)[C@@H]2CNC(=O)N2)cc1C 1277920592 AIOXGROOXNRSSE-OCCSQVGLSA-N 334.420 0.622 10 10 ECCE O=C1CN(Cc2c(O)cccc2Br)[C@@H](C(=O)O)CN1 2136354184 DATZSAMMROVSRO-SECBINFHSA-N 329.150 0.540 10 10 ECCE C[C@@H](O)C(=O)N1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1 1624458888 ZLDIGCKNDCVGFQ-SNVBAGLBSA-N 333.348 0.514 10 10 ECCE C[C@@]12CN(C(=O)c3ccc(N=NC(N)=O)cc3)C[C@]1(C)C(=O)NC2=O 1635367767 AGKITVWHSPPOGX-IYBDPMFKSA-N 343.343 0.974 10 10 ECCE C[C@@H](NC(=O)c1cn(C[C@H]2CNC(=O)O2)nn1)c1ccccc1O 1643741924 GCBXWYKOGDDDOE-NXEZZACHSA-N 331.332 0.583 10 10 ECCE C[C@H](NC(=O)CNS(=O)(=O)c1cn(C)cn1)c1ccccc1O 1587451149 JNMSNQWVONCXMB-JTQLQIEISA-N 338.389 0.281 10 10 ECCE CCOC(=O)c1cnn2c(O)cc(CN(CC)CCC(=O)NC)nc12 1660464591 ABIJHAPKZHJGLP-UHFFFAOYSA-N 349.391 0.570 10 10 ECCE NCc1ccc(N2CC[C@]3(C2)NC(=O)NC3=O)cc1Br 2170620757 BOEASCRSHMTINH-CYBMUJFWSA-N 339.193 0.696 10 10 ECCE O=C(O)[C@@H]1[C@@H](O)[C@@H](O)CCN1Cc1c(O)cccc1Br 2201087639 UCPUVTRFSXAFMI-SRVKXCTJSA-N 346.177 0.535 10 10 ECCE O=C1CO[C@H]2CCN(Cc3ccc(N4CCOCC4)c(F)c3)C[C@@H]2N1 835055865 ATJKWSUVWVBBCQ-RDJZCZTQSA-N 349.406 0.752 10 10 ECCE Nc1ccc(CCNC(=O)C(=O)N2CCO[C@@H](C3CCC3)C2)cc1 842237062 AQKVUOVAERTQTN-MRXNPFEDSA-N 331.416 0.955 10 10 ECCE CN(C)c1ccc(CN2CCN(C(=O)N3CCNCC3)CC2)cc1 863642703 VUBLDCOCUOAXMI-UHFFFAOYSA-N 331.464 0.895 10 10 ECCE CNS(=O)(=O)C[C@@H]1CCCN(C(=O)c2c(F)ccc(O)c2O)C1 863944193 FABKDHSMBZDEKB-SECBINFHSA-N 346.380 0.638 10 10 ECCE COc1ccc(N2CC[C@H](NC(=O)C(=O)N[C@@H]3CCN[C@H]3C)C2)cc1 861813959 AOICHUOFJLBGCS-HEHGZKQESA-N 346.431 0.257 10 10 ECCE CNC(=O)NCCC(=O)NC[C@H](C)NCc1ccc(OC)c(C)c1 1317235630 NIGQRYNTXHWFNP-ZDUSSCGKSA-N 336.436 0.917 10 10 ECCE Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C(=O)N[C@@H]1[C@H]2COC[C@H]21 1326346132 YHYGKZSLZAJQOD-KKBVYLPWSA-N 345.443 0.869 10 10 ECCE Cc1nn(CC(=O)NCc2ccc(N3CCC(O)CC3)cc2)c(=O)o1 1646435450 RQMVRPZZDHSEJW-UHFFFAOYSA-N 346.387 0.422 10 10 ECCE CS(=O)(=O)NC[C@H]1CCCN(C(=O)c2c(F)ccc(O)c2O)C1 1641156240 HEMFSQLLPIFBKL-SECBINFHSA-N 346.380 0.638 10 10 ECCE COc1ccc(CNC[C@H](O)CNC(=O)[C@@H]2CCNC(=O)C2)cc1C 1699045133 DWSPPPFQXWIHLU-CABCVRRESA-N 349.431 0.097 10 10 ECCE Cc1cc(O)n2ncc(C(=O)N3CCOC4(CCOCC4)C3)c2n1 2063309825 SCCFWSOEXXKNAZ-UHFFFAOYSA-N 332.360 0.765 10 10 ECCE CCN(CC(=O)OC)C(=O)c1cc(NS(C)(=O)=O)ccc1O 271283600 OHQXVWDSTLEYPU-UHFFFAOYSA-N 330.362 0.399 10 10 ECCE Nc1ccc(OCCOn2c(=O)c(=O)oc3cccc(N)c32)cc1 821297114 MUAXTGMQMCHCHG-UHFFFAOYSA-N 329.312 0.627 10 10 ECCE CN1CCCc2cc(CNC(=O)[C@H]3CCN(C)S3(=O)=O)ccc21 843539390 UXGVYIUOQAGTDP-OAHLLOKOSA-N 337.445 0.719 10 10 ECCE COc1ccc(N2CC[C@H](CNC(=O)[C@@H]3CN(C)C(=O)N3)C2)cc1 854981520 UYRCPZRAEZDMHO-DOMZBBRYSA-N 332.404 0.661 10 10 ECCE COc1ccc(N2CC[C@@H](NC(=O)C3(n4cnnn4)CC3)C2)cc1 855225792 QGRCKKOTMHHUJK-GFCCVEGCSA-N 328.376 0.566 10 10 ECCE COCCc1cc(NC(=O)C(=O)NCc2cc(C)ccc2O)n(C)n1 862024707 BYGYOJCFMKXWDK-UHFFFAOYSA-N 346.387 0.878 10 10 ECCE COc1ccc(CNC(=O)C(=O)Nc2cn(C)c(=O)cc2C)c(O)c1 797390244 BAHWVTGJMLSQRX-UHFFFAOYSA-N 345.355 0.663 10 10 ECCE COC(=O)[C@](C)(O)CNC(=O)c1cc2cc(O)c(O)cc2s1 1153826146 IZBCVLXXONWNSN-CQSZACIVSA-N 325.342 0.966 10 10 ECCE COc1cc(O)c(CN2CC(C3CS(=O)(=O)C3)C2)cc1OC 1338274953 YGOCLDKVVDTXFQ-UHFFFAOYSA-N 327.402 0.886 10 10 ECCE NS(=O)(=O)c1ccc(CNC(=O)Cc2ccc(O)c(O)c2)s1 1290012680 LWBWRUCCLVFCPL-UHFFFAOYSA-N 342.398 0.666 10 10 ECCE COc1ccc(CNC2(CNC(=O)[C@H]3C[C@H]3C(N)=O)CC2)cc1C 1716693842 PTPSUTSGQQHGKJ-KGLIPLIRSA-N 331.416 0.863 10 10 ECCE COc1ccc(CNC[C@@H](O)CN(C)C(=O)Cc2nc[nH]n2)cc1C 1725713229 LUOTWJONCGWSNH-CQSZACIVSA-N 347.419 0.273 10 10 ECCE CCOCC(=O)N1CC[C@@H](NC(=O)c2cc(OC)nc(OC)c2)C1 1743041395 IRQOTKOAVOLIGU-GFCCVEGCSA-N 337.376 0.466 10 10 ECCE COc1ccc(CNC/C=C/CNC(=O)c2nnn(C)n2)cc1C 1668984627 UVQHINSRMMWMJX-SNAWJCMRSA-N 330.392 0.603 10 10 ECCE CN(C)c1ccc(CNCCC(=O)N2CCC(C(N)=O)CC2)cc1 1857858849 JTKKXYRGRNNSJD-UHFFFAOYSA-N 332.448 0.956 10 10 ECCE CC(C)(C)OC(=O)N1CCO[C@@H](CCOc2nnc(=N)[nH]n2)C1 2210647304 RCEMGIUJCKZQND-VIFPVBQESA-N 326.357 0.084 10 10 ECCE NCc1ccc(N2C[C@H](O)[C@H](O)[C@@H](CO)C2)c(F)c1Br 2289486468 WRCYAHJHNKAJMH-DFAYQTQMSA-N 349.200 0.197 10 10 ECCE COc1ncc(Br)c(C)c1COc1nnc(=N)[nH]n1 2342386796 LPMPYPVSSFUHJB-UHFFFAOYSA-N 327.142 0.733 10 10 ECCE Cc1ccc(CNC(=O)[C@H](N)CC(N)=O)c(O)c1Br 2352933345 XWNQFYCRQNTUOJ-MRVPVSSYSA-N 330.182 0.282 10 10 ECCE CCOC[C@H](O)CNCCN1CCN(c2ccc(OC)cc2)CC1 818982053 DDKWAALMYUESDL-QGZVFWFLSA-N 337.464 0.804 10 10 ECCE CN1CC(CN(C)C(=O)c2cc(NS(C)(=O)=O)ccc2O)C1 855638358 DHBJZWGEICLHEF-UHFFFAOYSA-N 327.406 0.397 10 10 ECCE COc1ccc(N2CCN(C(=O)CN3C(=O)[C@H]4C[C@H]4C3=O)CC2)cc1 760372739 UBWJQRWFLHPELH-GASCZTMLSA-N 343.383 0.349 10 10 ECCE COCCN1CCCN(Cc2cc3c(cc2O)OC[C@@H]3O)CC1=O 787250173 QTZOJZXEAFHFPR-HNNXBMFYSA-N 336.388 0.499 10 10 ECCE O=C1NC(=O)[C@]2(CCCN(C(=O)/C=C/c3ccc(O)c(O)c3)C2)N1 790229924 BBZXRTJPENQZCQ-LLCTXKFZSA-N 331.328 0.312 10 10 ECCE CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)C(OC)OC 1611050091 VBXLMCHHWWPEFP-JTQLQIEISA-N 327.333 0.307 10 10 ECCE CN(C[C@@H](O)CN1CCOCC1)C(=O)c1ccc(N=NC(N)=O)cc1 1621729781 FJZSJXKVIIFAFV-CQSZACIVSA-N 349.391 0.614 10 10 ECCE CN(C(=O)c1ccc(N=NC(N)=O)cc1)C1CN(CCOCCO)C1 1569507711 AQHODGWWYMYWBE-UHFFFAOYSA-N 349.391 0.614 10 10 ECCE O=C(NCc1c(O)cccc1O)[C@@H]1C[C@H](O)CN1c1ccncn1 1645363010 JCPLLFIEVJEOLX-JQWIXIFHSA-N 330.344 0.144 10 10 ECCE COc1ccc(CN[C@@H](C)CNC(=O)[C@H]2CN(C)CCO2)cc1C 1662189732 KBXKLXJQFYKOOO-WMLDXEAASA-N 335.448 0.929 10 10 ECCE CN(C)c1ccc([C@@H](NC(=O)[C@H]2CCC(=O)N2)c2nccn2C)cc1 169813849 NBQLXDDZLGCKDL-GDBMZVCRSA-N 341.415 0.970 10 10 ECCE COc1cccc(N2C(=O)NC(=O)C(=CNC[C@@H]3CCCO3)C2=O)c1 2297317999 WQRSDCWQHLKSMR-ZDUSSCGKSA-N 345.355 0.931 10 10 ECCE COc1cccc(N2C(=O)NC(=O)/C(=C\NC[C@@H]3CCCO3)C2=O)c1 100369185 WQRSDCWQHLKSMR-LFGHMXSPSA-N 345.355 0.931 10 10 ECCE Cn1cnnc1N1CCN(Cc2ccc(N3CCOCC3)cc2)CC1 848925620 ZDYGXSILRHLCGM-UHFFFAOYSA-N 342.447 0.974 10 10 ECCE COc1ccc(O)c(CN2CCO[C@@]3(CCS(=O)(=O)C3)C2)c1 843426528 YQISYAWQQKYVKS-HNNXBMFYSA-N 327.402 0.790 10 10 ECCE Nc1ccc(CCNC(=O)C(=O)N2CC[C@H](Cn3ccnn3)C2)cc1 851687481 CFLNJLMUMJEJQD-AWEZNQCLSA-N 342.403 0.068 10 10 ECCE COc1ccc(N2CC[C@@H](NC(=O)NC[C@H]3COCCO3)C2)cc1 851995124 MHUNJVAANBYAAD-CJNGLKHVSA-N 335.404 0.989 10 10 ECCE O=C(NCc1ccc(N2CCSCC2)cc1)N[C@H]1CCNC1=O 851992159 ZOFOXLKZVSLHDM-AWEZNQCLSA-N 334.445 0.928 10 10 ECCE CCOC(=O)[C@H]1CCCN1S(=O)(=O)N1Cc2cccc(O)c2C1 867689963 PLDFUVMLEXITDT-CYBMUJFWSA-N 340.401 0.980 10 10 ECCE Cn1cc(N2C[C@H](C(=O)NCc3c(O)cccc3O)CC2=O)cn1 1156885423 DKLWZOMMZMKRIC-SNVBAGLBSA-N 330.344 0.501 10 10 ECCE COc1ccc(CN[C@H](C)CNC(=O)CS(C)(=O)=O)cc1C 1714214003 GWAVGXHVUODVPZ-GFCCVEGCSA-N 328.434 0.643 10 10 ECCE CS(=O)(=O)N1CCC(C(=O)NCc2cccc(O)c2O)CC1 1637035818 VHPCFYNJSUYQAU-UHFFFAOYSA-N 328.390 0.386 10 10 ECCE CN(CCN=[N+]=[N-])C(=O)[C@@H]1[C@@H](O)[C@H](O)CN1C(=O)OC(C)(C)C 1993362785 VYSUWCISMHDGGV-UTLUCORTSA-N 329.357 0.096 10 10 ECCE CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N1CC[C@@H](CN=[N+]=[N-])C1 2010403285 BSWWYVFYUCANAT-UWVGGRQHSA-N 340.384 0.914 10 10 ECCE OCc1ccc(N2CCN(C[C@@H](O)CO)CC2)cc1Br 2178034673 IHJREYXNCPTJBA-CYBMUJFWSA-N 345.237 0.417 10 10 ECCE CC(=O)C(=O)COC(=O)c1cn(-c2ccc(C(F)(F)F)cn2)nn1 808512355 RMNRVLCQCBSQRY-UHFFFAOYSA-N 342.233 0.996 10 10 ECCE CNS(=O)(=O)c1cc(NS(=O)(=O)N2CCC[C@@H]2C)ccc1O 790404526 FANWSGLIDXDTPI-VIFPVBQESA-N 349.434 0.441 10 10 ECCE COc1ccc(CNC(=O)Cn2cnc3c(cnn3C)c2=O)c(O)c1 794378016 WSSIAEYGUUMNIF-UHFFFAOYSA-N 343.343 0.161 10 10 ECCE O=C(/C=C\c1ccc(O)c(O)c1)NCc1nc(O)c2c(n1)CCOC2 1152717505 RWZBNCUQAZTRDH-RQOWECAXSA-N 343.339 0.996 10 10 ECCE CN1C(=O)NC2(CCN(C(=O)c3c(F)ccc(O)c3O)CC2)C1=O 1472520816 XBTQFRJZAWLVLX-UHFFFAOYSA-N 337.307 0.393 10 10 ECCE CC[C@H](CNC(=O)Cn1cnnn1)NCc1ccc(OC)c(C)c1 1481791386 XEBOXIDLTSFKOT-CQSZACIVSA-N 332.408 0.675 10 10 ECCE CCOC(=O)c1cnn2c(O)cc(CN3CC[C@H](O)[C@H](F)C3)nc12 1655838734 PHTRACSYAYSBHL-NEPJUHHUSA-N 338.339 0.516 10 10 ECCE CNCc1ccc(N2CCOC[C@@H]2[C@H](O)CO)cc1Br 2146325507 GQVLDUZURJNXFA-ZIAGYGMSSA-N 345.237 0.727 10 10 ECCE CC(C)(C)OC(=O)N[C@@H](CCC(N)=O)C(=O)NCCCN=[N+]=[N-] 1994926253 AEDYLZHMJYINPO-VIFPVBQESA-N 328.373 0.962 10 10 ECCE CC(C)(C)OC(=O)NC[C@H](CO)NC(=O)Cc1ccc(O)c(O)c1 2011429854 MLUSVYZPWNRZHU-LLVKDONJSA-N 340.376 0.642 10 10 ECCE c1cc(N2CCOCC2)ccc1Cn1cc(CN2CCOCC2)nn1 900602561 ZRYJTWCEKXBVHA-UHFFFAOYSA-N 343.431 0.995 10 10 ECCE CCOC(=O)C[C@H]1C[C@@H](OC)CN1C(=O)C(=O)Nc1ccc(N)cc1 841092308 CEWIPWXBYPGCTF-ZIAGYGMSSA-N 349.387 0.776 10 10 ECCE C[C@H](NC(=O)N1CC(S(N)(=O)=O)C1)c1ccc(N(C)C)cc1 922050941 HAQPQLUNJNRUPX-JTQLQIEISA-N 326.422 0.496 10 10 ECCE CN(Cc1ccccc1O)C(=O)c1cn(C[C@@H]2CNC(=O)O2)nn1 1149871611 JUQMFYMJVMDAKP-NSHDSACASA-N 331.332 0.364 10 10 ECCE Cn1nc2c(c1C(=O)N1Cc3cccc(O)c3C1)CS(=O)(=O)CC2 1333424337 IRWJYBFGQIVVSD-UHFFFAOYSA-N 347.396 0.753 10 10 ECCE O=C(C(=O)N1CCO[C@H]([C@H]2CCCO2)C1)N1Cc2cccc(O)c2C1 1335609495 LTTNROVLYSQFIW-CVEARBPZSA-N 346.383 0.641 10 10 ECCE CC(C)[C@@H](C(=O)NCc1c(O)cccc1O)N1CCCS1(=O)=O 1472063430 KFEWAAOTEHYUMQ-AWEZNQCLSA-N 342.417 0.774 10 10 ECCE C[C@H](NC(=O)[C@H](CO)NC(=O)c1cccc(F)n1)c1ccccc1O 1635804285 SCPQKOQUHDECCR-GWCFXTLKSA-N 347.346 0.894 10 10 ECCE NC(=O)[C@@H]1C[C@H](NC(=O)C(F)(F)F)CN(c2ccc(N)cc2)C1 1999551207 MZDJWPRIEXVYRK-SCZZXKLOSA-N 330.310 0.628 10 10 ECCE O=C(CN1CC(=O)NC1=O)NCc1cc(Cl)cc(Cl)c1O 807837447 QICCHHCUNZPBNL-UHFFFAOYSA-N 332.143 0.867 10 10 ECCE COc1ccc(N2CC[C@H](NC(=O)C(=O)Nc3cnsn3)C2)cc1 850537491 QZLLSHOHKFZUKH-JTQLQIEISA-N 347.400 0.880 10 10 ECCE O=C1NN(c2ccccc2)C(=O)/C1=C\c1cn(C[C@@H]2CCOC2)nn1 865217001 HFARMXWGYJRUQV-IYVNWDGISA-N 339.355 0.776 10 10 ECCE COc1cccc(CNC(=O)CCC(=O)N2CCC(O)CC2)c1O 1150543301 KLUANGILIHDZOI-UHFFFAOYSA-N 336.388 0.781 10 10 ECCE COc1ccc(CNC[C@@H](O)CNC(=O)c2nc(C)c[nH]2)cc1C 1732655675 DNGBQNSEZMSFGE-CQSZACIVSA-N 332.404 0.916 10 10 ECCE C[C@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)NCC(=O)NC1CC1 1731639885 RNZHIIBDWHCQKQ-SNVBAGLBSA-N 346.391 0.836 10 10 ECCE COc1cc(C(=O)N[C@@H](C)CNC(=O)c2conc2C)cc(OC)n1 1737582615 NAVHNNVADJQUAO-VIFPVBQESA-N 348.359 0.944 10 10 ECCE Nc1ccc(Cc2ccc(NC(=O)[C@H](O)[C@@H](O)C(=O)O)cc2)cc1 1865945929 HSPPTHXDHCDFOQ-HUUCEWRRSA-N 330.340 0.605 10 10 ECCE CNCc1ccc(N2CCN(CCO)C(=O)C2)c(Br)c1 2171075347 AXVKRHZWHHEJDL-UHFFFAOYSA-N 342.237 0.809 10 10 ECCE Cc1cc(O)n2ncc(C(=O)N3CCN(c4cnccn4)CC3)c2n1 2064462989 IHIROMUKIBVJBC-UHFFFAOYSA-N 339.359 0.496 10 10 ECCE CN(C)c1ccc2c(c1)OCCN2C(=O)CN1C(=O)NC(C)(C)C1=O 437011912 JPRGVLZODPEILW-UHFFFAOYSA-N 346.387 0.808 10 10 ECCE C[C@@H]1C(=O)N(C)CN1C(=O)c1cc(NS(C)(=O)=O)ccc1O 844101840 CXWQNNODUQLEJE-MRVPVSSYSA-N 327.362 0.024 10 10 ECCE C[C@H]1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)C[C@H](C)C1O 855691972 ZZNQRRYIFFMROE-UWVGGRQHSA-N 342.417 0.853 10 10 ECCE COc1ccc(N2CC[C@@H](NC(=O)c3nnc(O)nc3O)C2)cc1 855231519 BIRPSWPVQKNDDK-SECBINFHSA-N 331.332 0.300 10 10 ECCE NC(=O)C1=NO[C@H](CNC(=O)c2cc3cc(O)c(O)cc3s2)C1 1466954179 ORJZLRAQNNKKPS-ZETCQYMHSA-N 335.341 0.673 10 10 ECCE CS(=O)(=O)NC[C@H]1CCCCN1C(=O)Cc1ccc(O)c(O)c1 1630467077 QYROLSTYHIGTSZ-GFCCVEGCSA-N 342.417 0.571 10 10 ECCE COc1ccc(CNCCN(C)C(=O)c2nnc(O)nc2O)cc1C 1731929192 NWJMHHKEVNWWGM-UHFFFAOYSA-N 347.375 0.462 10 10 ECCE CC[C@H](CNC(=O)c1cnon1)NC(=O)c1cc(OC)nc(OC)c1 1582540320 FHISGRWIIMDNGA-SNVBAGLBSA-N 349.347 0.420 10 10 ECCE CCCC(=O)NC[C@@H](CO)NC(=O)c1cc(OC)nc(OC)c1 1680187379 KRMYPVNEUGUDTP-NSHDSACASA-N 325.365 0.106 10 10 ECCE NC(=O)[C@H]1CCN1c1cc2c(cc1Br)[C@@H](O)C(=O)N2 2089370334 VGEAPPGWGFKWJU-PSASIEDQSA-N 326.150 0.499 10 10 ECCE CC(C)(C)OC(=O)N1CCOC[C@@H]1CCOc1nnc(=N)[nH]n1 2210653600 KWKZRYWSGIJIKA-VIFPVBQESA-N 326.357 0.084 10 10 ECCE COc1ccc(Br)c(CN[C@@H]2CC(=O)NC2=O)c1O 2227747495 AXMOLCNFDUPQTF-MRVPVSSYSA-N 329.150 0.668 10 10 ECCE CCN1CCN(C(=O)CN2CCN(c3ccc(OC)cc3)CC2)CC1 34685228 VFMGQNSGDLLISA-UHFFFAOYSA-N 346.475 0.981 10 10 ECCE COc1ccc(CNC(=O)c2cn(C[C@H]3CCOC3)nn2)c(O)c1 529227797 LBRBVKUJYTUPTL-LLVKDONJSA-N 332.360 0.959 10 10 ECCE Cc1cc(C(=O)N2CC[C@](O)(C(N)=O)C2)c(C)n1-c1ccccn1 276537855 VTFHSXIJZQLPTR-QGZVFWFLSA-N 328.372 0.551 10 10 ECCE CCC(=O)NC[C@]1(O)CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 1299732154 MRWDTDPZSYIDLV-MRXNPFEDSA-N 347.375 0.952 10 10 ECCE CN(C)C(=O)/C=C\C(=O)NCc1ccc(N2CCOCC2)c(F)c1 1626154460 NLJKFIBVDXRNDY-WAYWQWQTSA-N 335.379 0.923 10 10 ECCE COCCn1c(C)c(C)c2cc(C(=O)N3CC(O)(C(N)=O)C3)ccc21 913073432 GISQCASWTFEFPX-UHFFFAOYSA-N 345.399 0.577 10 10 ECCE NCc1ccc(N2CCOC[C@@H]2[C@@H](O)CO)c(F)c1Br 2146328742 IOMRZLGLIKSBPF-MNOVXSKESA-N 349.200 0.605 10 10 ECCE NCc1cc(F)c(N2CCOC[C@H]2C(N)=O)cc1Br 311478477 KLFWQKSWTGSIFD-NSHDSACASA-N 332.173 0.737 10 10 ECCE C[C@H](O)c1ccc(N2C[C@H](O)[C@@H](O)[C@H](CO)C2)c(Br)c1 2289358143 OTRZGXDWXMRQAL-LMVZTGKYSA-N 346.221 0.653 10 10 ECCE CCN(CCO)CCNC(=O)C=Cc1ccc(N2CCOCC2)cc1 2309444981 KPVCDPVGXCBPCY-UHFFFAOYSA-N 347.459 0.967 10 10 ECCE COCCN(CCOC)C(=O)C(=O)N(C(C)=O)c1ccc(N)cc1 170318800 PASDJXITJKMQBI-UHFFFAOYSA-N 337.376 0.270 10 10 ECCE CCN(C(=O)Nc1cc(O)c(O)c(O)c1)[C@@H]1CCS(=O)(=O)C1 217278841 WTMHHTHWEMLSTH-SECBINFHSA-N 330.362 0.844 10 10 ECCE CN(C)c1ccc(CNC(=O)CN2CCC[C@@H](NCCO)C2)cc1 923406768 GTODALFAVYVZTO-MRXNPFEDSA-N 334.464 0.415 10 10 ECCE CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CCc1nn[nH]n1 864635081 RJVIAJKSULJQSE-UHFFFAOYSA-N 330.392 0.628 10 10 ECCE C[C@@H](NC(=O)CCc1nn[nH]n1)c1ccc(N2CCOCC2)cc1 865018798 NWEBPYRRSHCKAT-GFCCVEGCSA-N 330.392 0.846 10 10 ECCE CN(CCN1CCCC1=O)c1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 761897730 JDOOKWQGTMZPRI-UHFFFAOYSA-N 334.332 0.984 10 10 ECCE COc1ccc(CNC2(CNC(=O)c3nnn(C)n3)CCC2)cc1C 1501991797 SJXRXWXJUUHRBE-UHFFFAOYSA-N 344.419 0.969 10 10 ECCE COc1ccc(CNC[C@@H](O)CN(C)C(=O)c2cnn(C)c2)cc1C 1284378268 DGGJPWMQNHPJRK-MRXNPFEDSA-N 346.431 0.960 10 10 ECCE CC(C)(C)OC(=O)NC[C@H](O)C(=O)NCc1ccc(O)cc1O 1469159662 CAQJVBAMWUDGDO-LBPRGKRZSA-N 326.349 0.600 10 10 ECCE C[C@H](O)[C@@H](NC(=O)C1CCCC1)C(=O)NCc1cc(O)ccc1O 1471661606 VCTBLURREZCYAD-ZUZCIYMTSA-N 336.388 0.770 10 10 ECCE CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CCN1CC 1638030106 GGVOIICFIBSHAD-QWHCGFSZSA-N 336.388 0.782 10 10 ECCE CN(CCO)C[C@H](O)CN(C)C(=O)c1ccc(N=NC(N)=O)cc1 1571608625 LRIRJUSWSWSIED-ZDUSSCGKSA-N 337.380 0.206 10 10 ECCE CO[C@H](C)CN[C@H](CO)CNC(=O)c1ccc(N=NC(N)=O)cc1 1676614606 HCMOPHDIBOETBY-MFKMUULPSA-N 337.380 0.564 10 10 ECCE CN(C)CCNC=C1C(=O)NC(=O)N(CCc2ccccc2)C1=O 2296088800 QIAQCHHKVHDZCV-UHFFFAOYSA-N 330.388 0.343 10 10 ECCE O=C1NC(=S)N(c2ccccc2)C(=O)C1=CNN1CCOCC1 2296088822 RGTQAXKFYQIHGS-UHFFFAOYSA-N 332.385 0.155 10 10 ECCE CC(C)(CNS(=O)(=O)Cc1ccc(N)cc1)NS(C)(=O)=O 111778256 ZLTAXNZVPYAHNG-UHFFFAOYSA-N 335.451 0.016 10 10 ECCE C[C@@H](Cn1cncn1)NC(=O)c1cc(NS(C)(=O)=O)ccc1O 68086509 IKQFDTGOEXEZRI-VIFPVBQESA-N 339.377 0.174 10 10 ECCE C/C=C/C(=O)N1CCN(Cc2nnnn2-c2ccc(OC)cc2)CC1 97603313 ZGNDQLGQUJNZJS-ONEGZZNKSA-N 342.403 0.891 10 10 ECCE O=C(CN1CCOCC1=O)NCc1cc(Br)ccc1O 804732991 HVABIVLTGNUJJJ-UHFFFAOYSA-N 343.177 0.630 10 10 ECCE O=C(Nc1cccc(N2CCOCC2)c1)c1ccc2c(c1)COB2O 863871703 YEMJHBBXPDFQCD-UHFFFAOYSA-N 338.172 0.993 10 10 ECCE C[C@H]1CC[C@H](NC(=O)C(=O)NCCCSc2nccs2)CN1 861741841 AIKFBMMYOHUFRD-QWRGUYRKSA-N 342.490 0.998 10 10 ECCE COc1ccc(N2CCN(C(=O)/C=C/C(=O)NC3COC3)CC2)cc1 870867672 UOCZZKQKMRYPPG-VOTSOKGWSA-N 345.399 0.415 10 10 ECCE CO[C@H](CNC(=O)C(=O)N(C)Cc1ccccc1O)[C@H]1CCOC1 1327317411 YAVRQUSSUVWTMR-DZGCQCFKSA-N 336.388 0.518 10 10 ECCE C[C@@H](NC(=O)C(=O)N1CC[C@@]2(O)C[C@H]2C1)c1ccc(N(C)C)cc1 1330523404 VUBBDCDMFIQEDN-UVBSCNOISA-N 331.416 0.913 10 10 ECCE O=C(NCc1c(O)ccc2ccccc12)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 1456310110 ORMVNIOZKNINEG-BRWVUGGUSA-N 329.352 0.574 10 10 ECCE CCOCc1cc(CNC[C@@H]2COC[C@H](O)[C@H]2O)ccc1OC 1615127788 FEICWWLCFMDHPH-VYDXJSESSA-N 325.405 0.690 10 10 ECCE C[C@@]1(C2CC2)NC(=O)N(CC(=O)NCc2ccc(O)cc2O)C1=O 1557084739 MNLXONVTDGUAHT-INIZCTEOSA-N 333.344 0.435 10 10 ECCE O=C(Cc1ccc(O)c(O)c1)N[C@@H]1CCN(CC(F)(F)F)C1=O 1633279161 STPYXBXJXVBXHE-SECBINFHSA-N 332.278 0.920 10 10 ECCE CO[C@@]1(CNC(=O)N[C@@H](C)c2ccccc2O)CCS(=O)(=O)C1 1687667922 XFLOFHWMDYFHDN-XHDPSFHLSA-N 342.417 0.956 10 10 ECCE O=C(NCc1nc(O)c2c(n1)CCOC2)NCc1ccccc1O 1684870255 WYSPBMDJYWSPSP-UHFFFAOYSA-N 330.344 0.960 10 10 ECCE CC(C)(C)OC(=O)N[C@H](CC(N)=O)C(=O)NCCCCN=[N+]=[N-] 1985102902 NNLPVCXIFNYULL-SECBINFHSA-N 328.373 0.962 10 10 ECCE CNC(=O)[C@H]1CNCCN1Cc1cc(Br)cc(F)c1O 715780644 XNGFQTFVBCHJQN-LLVKDONJSA-N 346.200 0.814 10 10 ECCE Cc1cc(O)n2ncc(C(=O)N[C@@H]3CCO[C@@]4(CCOC4)C3)c2n1 2064238756 AAWOPUPOWDCARP-BZNIZROVSA-N 332.360 0.811 10 10 ECCE C[C@](O)(CNCc1ccc(N2CCOCC2)cc1)CN1CCOCC1 174482886 GHVDBLYQGSEYDD-IBGZPJMESA-N 349.475 0.696 10 10 ECCE CN1C[C@@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2O)CCC1=O 265767897 GMJWLHODMGRYIZ-JTQLQIEISA-N 341.389 0.114 10 10 ECCE C/C=C\[C@@H](O)C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 900279681 WBXDRCKDDZZGTJ-MPNWYJEXSA-N 338.429 0.475 10 10 ECCE CN1C[C@@H](O)C[C@]1(C)C(=O)NCc1ccc(N2CCC(O)CC2)cc1 912709571 PGKOQQMYUAHROV-PKOBYXMFSA-N 347.459 0.719 10 10 ECCE COCCn1cc(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)nn1 855227555 XUTOUTMUUDNWFH-CYBMUJFWSA-N 345.403 0.942 10 10 ECCE CNS(=O)(=O)C[C@H]1CCCN(C(=O)c2cccc(O)c2O)C1 863824143 BIGNAAVSQYNZTH-JTQLQIEISA-N 328.390 0.499 10 10 ECCE COc1ccc(O)c([C@@H](C)NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)c1 1150543315 LAYPMYJWYUPTAY-MRVPVSSYSA-N 343.347 0.899 10 10 ECCE CN(C)c1ccc(CNC(=O)CN2C[C@H](CO)[C@@H](CCO)C2)cc1 1308163311 KHFYRMCJODHIHL-JKSUJKDBSA-N 335.448 0.292 10 10 ECCE C[C@H]1CC[C@@H](NC(=O)C(=O)Nc2ccc(N)cc2)CS1(=O)=O 1333516719 QNQUWOBDFTXYSK-JOYOIKCWSA-N 325.390 0.289 10 10 ECCE COc1cc(C(=O)N[C@H](C)CNC(=O)c2cc(C)no2)cc(OC)n1 1295422199 JIIKPBBWGHSNNR-SNVBAGLBSA-N 348.359 0.944 10 10 ECCE COCc1cn(C[C@@H]2OC[C@H](O)[C@@H]2NCc2ccccc2O)nn1 1615735854 HWAPJMGQUNGYMQ-JYJNAYRXSA-N 334.376 0.048 10 10 ECCE COc1cc(C(=O)N[C@@H](CO)CNC(=O)C(C)(C)C)cc(OC)n1 1572353897 BPJSHVRZBGYUIH-LLVKDONJSA-N 339.392 0.352 10 10 ECCE CN(CC(CO)CO)c1cc2c(cc1Br)[C@H](O)C(=O)N2 2150414626 IATZRXBIMVUVCG-LBPRGKRZSA-N 345.193 0.472 10 10 ECCE C[C@H](O)c1ccc(N2CC3(C2)OC[C@H](O)[C@@H]3O)cc1Br 2183636939 AJAUWGPRDVXGGQ-HJIKLVIJSA-N 344.205 0.813 10 10 ECCE CN1CCN(NC=C2C(=O)NC(=S)N(c3ccccc3)C2=O)CC1 2296124670 OCCYNZVWFSXPPP-UHFFFAOYSA-N 345.428 0.070 10 10 ECCE C[C@H](N)c1ccc(N(CC(N)=O)CC(N)=O)c(Br)c1 723167622 UBNWBBRHKMMYDU-ZETCQYMHSA-N 329.198 0.246 10 10 ECCE COc1ccc(N2CCN(CCNC(=O)c3ccn(C)n3)CC2)cc1 727375547 FAYZLXCKHTXMFV-UHFFFAOYSA-N 343.431 0.981 10 10 ECCE COc1ccc(-n2c(C)cc(C(=O)N3CC(O)(C(N)=O)C3)c2C)cc1 913075127 LNHATAZDDJWGFC-UHFFFAOYSA-N 343.383 0.775 10 10 ECCE COc1ccc(O)c([C@@H](C)NC2CN(S(=O)(=O)N(C)C)C2)c1 858569411 GOBTVOWUXBFTQO-SNVBAGLBSA-N 329.422 0.542 10 10 ECCE COc1ccc(N2CC[C@@H](NC(=O)N[C@@H]3COC[C@H]3OC)C2)cc1 852392235 NAWAAZJXHQESKK-DAXOMENPSA-N 335.404 0.987 10 10 ECCE CN(CCN=[N+]=[N-])C(=O)[C@H](CS(C)(=O)=O)NC(=O)OC(C)(C)C 1899535624 OXXJMSVYLHFEAK-VIFPVBQESA-N 349.413 0.693 10 10 ECCE COC[C@@]1(C)CN(Cc2cc(O)n3ncc(C(=O)O)c3n2)CCO1 1331839261 FPNNGIYGFOKTPW-OAHLLOKOSA-N 336.348 0.370 10 10 ECCE Cn1cc([C@@H](NCCN=[N+]=[N-])C(N)=O)c(I)n1 1912146090 PESSKKANRJHYQZ-ZCFIWIBFSA-N 349.136 0.451 10 10 ECCE COC(=O)CC(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 1644863288 FYWUASDNKNLEFD-UHFFFAOYSA-N 333.388 0.568 10 10 ECCE O=C(Cc1nc(C2CCOCC2)n[nH]1)NCc1cc(O)ccc1O 1593882386 UXYJHNFPSXBVDV-UHFFFAOYSA-N 332.360 0.969 10 10 ECCE NCc1ccc(N2CCOC[C@H]2C(N)=O)c(F)c1Br 231840530 KFLZPQMOQUGMGZ-VIFPVBQESA-N 332.173 0.737 10 10 ECCE C[C@H](O)c1ccc(N2C[C@H](O)[C@@H](O)[C@H](CO)C2)cc1Br 2289358524 TUISXQLEZJFYBP-WBRVRECLSA-N 346.221 0.653 10 10 ECCE CC[C@@H](C)N1C(=O)C(=Cc2cnc(N(C)C)nc2)C(=O)NC1=S 2297361865 JJUQHRUOILKLQQ-SECBINFHSA-N 333.417 0.968 10 10 ECCE COC[C@H]1[C@@H](O)[C@@H](O)CN1c1ccc(CN)c(Br)c1 2333608894 OABMJFCHIASJRI-RWMBFGLXSA-N 331.210 0.465 10 10 ECCE COC(=O)CCCCNC(=O)c1cc(NS(C)(=O)=O)ccc1O 70882155 MCFCYZRJQXOPAU-UHFFFAOYSA-N 344.389 0.837 10 10 ECCE CCS(=O)(=O)c1ccccc1C(=O)N1CCS(=O)(=O)[C@H](C)C1 265694631 OMIXKVSFIDWNTE-LLVKDONJSA-N 345.442 0.739 10 10 ECCE Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@H]1CCC(=O)N(C)C1 806187715 IKFXFFSYBQEFLK-AWEZNQCLSA-N 346.431 0.414 10 10 ECCE CNS(=O)(=O)NCC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 822415513 AKBDIJWLDLJDFJ-UHFFFAOYSA-N 340.449 0.297 10 10 ECCE COc1ccc(N2CCN(CCNC(=O)C[C@@H]3CC(=O)N3)CC2)cc1 824285215 BKXSBDYYXDDFGS-CQSZACIVSA-N 346.431 0.212 10 10 ECCE COC(=O)C1=CC[C@H](NC(=O)C(=O)NCCc2ccc(N)cc2)C1 1118867364 QRDKJXWOMMPLNI-AWEZNQCLSA-N 331.372 0.306 10 10 ECCE O=C(COC(=O)C1(n2cnnn2)CCOCC1)c1ccc(O)c(O)c1 1329506171 DOCJDMMOJOZFHN-UHFFFAOYSA-N 348.315 0.016 10 10 ECCE COC(=O)[C@@H](F)CNC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 1339005029 ALAJBRAYOBGVPQ-MFKMUULPSA-N 339.367 0.557 10 10 ECCE COc1ccc(N2CCC(NC(=O)Cn3c(O)nnc3O)CC2)cc1 1464703718 NHNHYXNDJFJECG-UHFFFAOYSA-N 347.375 0.483 10 10 ECCE C[C@@H](CN[C@H]1CCNC1=O)N(C)C(=O)c1ccc(N=NC(N)=O)cc1 1482373168 XHOHSBYMFVTPRW-GWCFXTLKSA-N 346.391 0.788 10 10 ECCE COc1ccc(CN[C@H](C)CNC(=O)C[C@@H]2CC(=O)NC2=O)cc1C 1714311868 OOOLZFKQAJNSPG-TZMCWYRMSA-N 347.415 0.651 10 10 ECCE COc1ccc(-n2nnnc2CN[C@H](C)CNC(=O)C2CC2)cc1 1566993533 ODBZSPVFLNOJSQ-LLVKDONJSA-N 330.392 0.675 10 10 ECCE CN(CC(N)=O)C[C@H]1CCCN1C(=O)c1ccc(N=NC(N)=O)cc1 1733944208 PZXSAVGGKWCEQC-CYBMUJFWSA-N 346.391 0.871 10 10 ECCE Cc1cc(O)n2ncc(C(=O)N[C@H]3CCOC[C@H]3N3CCCC3)c2n1 2064443783 KQTXZZVVQJYVFR-UONOGXRCSA-N 345.403 0.726 10 10 ECCE COc1ccc2c(c1)CCN2C(=O)C=Cc1cn(C)c(=O)n(C)c1=O 2297413548 CRNFDNQZCQUTCK-UHFFFAOYSA-N 341.367 0.695 10 10 ECCE CNC(=O)C1CN(C(=O)C=Cc2ccc(N3CCOCC3)cc2)C1 2309369605 HDXFQXMVGPBTDK-UHFFFAOYSA-N 329.400 0.741 10 10 ECCE CN(C)C(=O)CN1CCCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC1 376827139 GNGBDIUOZXLZSH-FNORWQNLSA-N 347.415 0.734 10 10 ECCE O=C(NCC[C@@]1(O)CCOC1)NCc1ccc(N2CCOCC2)cc1 844913698 UDVJQNQELTVFFR-GOSISDBHSA-N 349.431 0.864 10 10 ECCE C[C@@H]1CCNC[C@@H]1NC(=O)C(=O)NCc1ccc2c(c1)CCCN2C 842150238 PDPOTHZMKJOFSB-CJNGLKHVSA-N 344.459 0.799 10 10 ECCE O=S(=O)(NCc1ccc(N2CCC(O)CC2)cc1)C1CNC1 923657547 BLBJHXVQYVWWAW-UHFFFAOYSA-N 325.434 0.039 10 10 ECCE N[C@@H]1C(=O)Nc2cc(N3C[C@@H](O)C[C@H]3CO)c(Br)cc21 704710483 ZXFDNYOINFRZJR-WSFZALMZSA-N 342.193 0.333 10 10 ECCE CC(C)(CNC(=O)NCc1c(O)cccc1F)CS(N)(=O)=O 1254257113 VIBUZOHEQYOYSY-UHFFFAOYSA-N 333.385 0.645 10 10 ECCE NS(=O)(=O)c1ccc(CC(=O)NCc2cccc(O)c2O)s1 1471643548 ISOGEQSHIIEFAA-UHFFFAOYSA-N 342.398 0.666 10 10 ECCE CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)N[C@@H](C)c1ccccc1O 1470761607 AIAJSMYDKYFYEZ-GAFUQQFSSA-N 328.390 0.564 10 10 ECCE COc1ccc(CNC[C@@H](O)CNC(=O)[C@@H]2CCN(C)[C@@H]2C)cc1C 1732643584 DQZWTHZRPSIEBJ-DJIMGWMZSA-N 349.475 0.911 10 10 ECCE Cn1cc([C@@H](NC(=O)OC(C)(C)C)C(=O)N2CC(N=[N+]=[N-])C2)nn1 2010402787 WBDQTRJWFWYTRY-SNVBAGLBSA-N 336.356 0.902 10 10 ECCE CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](O)[C@H]1C(=O)N1CC(N=[N+]=[N-])C1 2012237264 CYMKGBUULKXBNF-DCAQKATOSA-N 341.368 0.239 10 10 ECCE C[C@@H](Cn1cncn1)NC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 803921777 RCDKNDWHNSTUMB-QWHCGFSZSA-N 344.419 0.726 10 10 ECCE CC(=O)C(=O)COC(=O)CCNS(=O)(=O)c1ccc(Cl)nc1 808493243 XETIREFARXHJBU-UHFFFAOYSA-N 348.764 0.105 10 10 ECCE COc1ccc(N2CCN(CCNC(=O)c3n[nH]c(O)n3)CC2)cc1 732922883 CWUJMCZPVVTFGO-UHFFFAOYSA-N 346.391 0.071 10 10 ECCE Cn1c(=O)ccn(CC(=O)NCc2c(O)ccc3ccccc23)c1=O 1157041447 GYVDOJWUOKHZBC-UHFFFAOYSA-N 339.351 0.722 10 10 ECCE COCCC(=O)N1CCC(NC(=O)Cc2ccc(O)c(O)c2)CC1 1150559308 OKXMFPDEXCRWAY-UHFFFAOYSA-N 336.388 0.784 10 10 ECCE CN(Cc1ccccc1O)C(=O)c1nc2ncc(CCO)cn2n1 1445643265 CZVSEXLXVHAEPV-UHFFFAOYSA-N 327.344 0.637 10 10 ECCE COc1ccc(CNC[C@H](O)CNC(=O)Cc2nonc2C)cc1C 1667910796 CCBPRSNWIXQQOH-AWEZNQCLSA-N 348.403 0.504 10 10 ECCE COc1ccc(CNC[C@H](O)CNC(=O)[C@@]2(C)CCNC2=O)cc1C 1667888785 VTFHGAHTAKLUNK-KSSFIOAISA-N 349.431 0.097 10 10 ECCE COc1ccc(CN[C@H](CO)CNC(=O)c2cn(C)cn2)cc1C 1676524819 QODUVCKEHIKLII-AWEZNQCLSA-N 332.404 0.618 10 10 ECCE NCc1ccc(N2CC3(CNC(=O)CO3)C2)c(F)c1Br 2289818814 VLBOWFMWPKFWFA-UHFFFAOYSA-N 344.184 0.752 10 10 ECCE COc1ccc2c(c1)CCN2C(=O)/C=C\c1cn(C)c(=O)n(C)c1=O 254973818 CRNFDNQZCQUTCK-DAXSKMNVSA-N 341.367 0.695 10 10 ECCE COc1ccc(N2CC[C@H](CNC[C@H](O)CN3CCOCC3)C2)cc1 819381550 YOPZNWNJRATJRI-AEFFLSMTSA-N 349.475 0.804 10 10 ECCE CN1CCN(c2ccc(CNC(=O)C3=CCS(=O)(=O)C3)cc2)CC1 918839912 WYUWXGXONDCJRK-UHFFFAOYSA-N 349.456 0.409 10 10 ECCE C[C@@H]1CC[C@@H](O)CN1C(=O)c1cc(NS(C)(=O)=O)ccc1O 844124365 CDDQLHVQSLJDTN-MWLCHTKSSA-N 328.390 0.749 10 10 ECCE O=C(O)C1CN(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1 857097840 WBLYCAZAIXALDX-UHFFFAOYSA-N 337.351 0.888 10 10 ECCE CC(=O)C(=O)COC(=O)c1cn(C)nc1I 923525759 UOSXRHCSKIMCHA-UHFFFAOYSA-N 336.085 0.340 10 10 ECCE CCNC(=O)CNC[C@@H](C)CNC(=O)c1ccc(N=NC(N)=O)cc1 1319286419 WBHQYNIVKJAPGA-LLVKDONJSA-N 348.407 0.941 10 10 ECCE CCN1CC[C@@H](NC(=O)C(=O)NCc2ccc(N(C)C)cc2)C1=O 1332527763 NOJHFYKDHWDIJN-CQSZACIVSA-N 332.404 0.106 10 10 ECCE O=C(/C=C\c1ccc(O)c(O)c1)N1CCO[C@H](CN2CCOCC2)C1 1330604103 QMCQQLSBTRHCNI-NSRYLSIASA-N 348.399 0.671 10 10 ECCE O=C(NCc1c(O)cccc1O)[C@H]1CC12CCS(=O)(=O)CC2 1456232720 ATZGANXWXZDBNF-LLVKDONJSA-N 325.386 0.929 10 10 ECCE O=C([C@H]1CCCCN1C(=O)Cc1ccc(O)c(O)c1)N1CCOCC1 1626769414 QKKOPSHJFOMBML-CQSZACIVSA-N 348.399 0.880 10 10 ECCE C[C@]1(C[C@@H]2CCCN2C(=O)Cc2ccc(O)c(O)c2)NC(=O)NC1=O 1568912400 VHLANVLVWWTXCN-APPDUMDISA-N 347.371 0.620 10 10 ECCE COc1cc(C(=O)N[C@H](CO)CNC(=O)C=C(C)C)cc(OC)n1 1738863917 AZEIUFYWBKRYRI-LBPRGKRZSA-N 337.376 0.272 10 10 ECCE COc1ccc(CN[C@@H](CO)CNC(=O)c2n[nH]c(C)c2O)cc1C 1571427105 JWZHKUDBUGETLE-CYBMUJFWSA-N 348.403 0.621 10 10 ECCE CCNC(=O)CN[C@H](C)CNC(=O)c1ccc(N=NC(N)=O)cc1 1774050371 RPAZLYYVZOXNBG-SNVBAGLBSA-N 334.380 0.693 10 10 ECCE O=C(c1cc(O)c(O)c(O)c1)N1CCN(C(=O)[C@H]2CCCO2)CC1 169824381 PLRVJJQEVZWDPS-CYBMUJFWSA-N 336.344 0.267 10 10 ECCE CC(=O)N(C(=S)N[C@@H]1CCS(=O)(=O)C1)c1ccc(N)cc1 244210369 VTWFOJXFBRBITC-LLVKDONJSA-N 327.431 0.683 10 10 ECCE CCOC(=O)CC(C)(C)CC(=O)C(=O)CN1CCCS1(=O)=O 808094659 BGABIZOJEHKUGC-UHFFFAOYSA-N 333.406 0.530 10 10 ECCE O=C(NCc1ccccc1O)N[C@H]1CCN(C2CCOCC2)C1=O 747584379 KHDLAFRFLVTQSA-AWEZNQCLSA-N 333.388 0.971 10 10 ECCE Cc1cc(NC(=O)C(=O)NCc2ccccc2O)c(N(C)C)nn1 850363070 YRPGGXTVJQRGLH-UHFFFAOYSA-N 329.360 0.812 10 10 ECCE CC1(C)[C@@H](O)CCN1C(=O)c1cc(NS(C)(=O)=O)ccc1O 794597873 GAALIWRHHISWNR-LBPRGKRZSA-N 328.390 0.749 10 10 ECCE CC(C)(C)C(=O)N1CCO[C@H](C(=O)NCc2cc(O)ccc2O)C1 1471661380 PXNKLZHAGWYAQH-AWEZNQCLSA-N 336.388 0.988 10 10 ECCE NC(=O)[C@H]1CN(Cc2ccc(Br)cc2O)C[C@@H]1C(N)=O 703457273 IXZJXSQCHWOMPX-UWVGGRQHSA-N 342.193 0.173 10 10 ECCE COc1cncc(O[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)C2)n1 238811672 ALOMNMWIQOLSTC-SNVBAGLBSA-N 332.316 0.585 10 10 ECCE C[C@@H](Cn1cncn1)NC(=O)C(=O)NCc1ccc(N(C)C)cc1 283336212 CWYNEWCSUJMOFJ-LBPRGKRZSA-N 330.392 0.165 10 10 ECCE CC(=O)C(=O)COC(=O)Cc1ccc(S(=O)(=O)C(F)F)cc1 808520407 QPZNDAZBFAWCGB-UHFFFAOYSA-N 334.296 0.927 10 10 ECCE CCOC(=O)c1cc(NS(=O)(=O)CCC(=O)OC)ccc1O 295163007 DVAHSKULKPEEFI-UHFFFAOYSA-N 331.346 0.874 10 10 ECCE COc1ccc(N2CC[C@H](NC(=O)C(=O)NCc3ccon3)C2)cc1 828261430 GBNSACDHQSDWMQ-ZDUSSCGKSA-N 344.371 0.695 10 10 ECCE CO[C@@H]1C=C[C@@](CNC(=O)Cn2nc(C3CC3)ccc2=O)(OC)O1 585410428 GQALZEMXSYPMCP-JKSUJKDBSA-N 335.360 0.139 10 10 ECCE C[C@H](NC(=O)NCCN1CCCS1(=O)=O)c1ccccc1O 868176187 NZCDKSWPYMPNIT-NSHDSACASA-N 327.406 0.788 10 10 ECCE CCOc1ccc(N2CCN(C(=O)[C@@H]3CN(C)C(=O)N3)CC2)cc1 1328248484 BISGRLAHIJHGIB-HNNXBMFYSA-N 332.404 0.758 10 10 ECCE COc1ccc(CNC[C@@H](O)CNC(=O)C2CC(OC)C2)cc1C 1496995240 RUFSJQJZCYJVKV-HWOWSKLDSA-N 336.432 0.995 10 10 ECCE CC(=O)Cc1nsc(NC(=O)CN2C(=O)[C@H](C)SC2=S)n1 11635514 QGPAJSZPLKJOIJ-LURJTMIESA-N 344.443 0.857 10 10 ECCE CN(C)c1ccc(/C=c2\sc3nc(CCCN)nn3c2=O)cc1 1857924698 OMOOCANPWNCFBC-RAXLEYEMSA-N 329.429 0.656 10 10 ECCE CCCN1C[C@@H](CNC(=O)c2cnn3c(O)cc(C)nc23)CC1=O 2063820250 GCEDWQCDOQZADI-LLVKDONJSA-N 331.376 0.732 10 10 ECCE CNC1(C(N)=O)CN(Cc2c(Br)ccc(OC)c2O)C1 2236052771 LPHHKWNMELQPBQ-UHFFFAOYSA-N 344.209 0.422 10 10 ECCE CC(=O)C(=O)COC(=O)COC1(C)CN(C(=O)OC(C)(C)C)C1 808540534 UTNBOYAXQRTHSG-UHFFFAOYSA-N 329.349 0.714 10 10 ECCE CO[C@@H](C(=O)O)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 901962016 YZXPASIKLDPMDQ-CYBMUJFWSA-N 326.324 0.378 10 10 ECCE OC1CCN(c2ccc(CNC[C@H](O)CN3CCOCC3)cc2)CC1 853123182 ZDBIUZAEOPGUIB-IBGZPJMESA-N 349.475 0.430 10 10 ECCE COc1ccc(N2CC[C@@H](NS(=O)(=O)N3CCNCC3)C2)cc1 923657109 MUTDBNAJMPJBLO-CYBMUJFWSA-N 340.449 0.014 10 10 ECCE COCCNCCNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 851662729 HQGUIYRFQIMJTF-AWEZNQCLSA-N 336.436 0.809 10 10 ECCE CC(C)OCCS(=O)(=O)NCC(=O)N1Cc2cccc(O)c2C1 871202786 GCNGWJWGHZNYFV-UHFFFAOYSA-N 342.417 0.579 10 10 ECCE C[C@](O)(Cn1ccccc1=O)C(=O)NCCc1ccc(O)c(O)c1 790895336 RDYSTQKQBXFANW-KRWDZBQOSA-N 332.356 0.369 10 10 ECCE C[C@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)NCc1ncnn1C 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SSLGTYWXQTYBHO-UHFFFAOYSA-N 346.431 0.498 10 10 ECCE COC(=O)NC1CCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)CC1 1330501109 CSXXQHNWKXCOTA-UHFFFAOYSA-N 347.371 0.581 10 10 ECCE CCN(CC)C(=O)CN1CCN(C(=O)Cc2ccc(O)c(O)c2)CC1 1290377316 ITQTZSNOFXHABY-UHFFFAOYSA-N 349.431 0.653 10 10 ECCE CN(C)C(=O)CNC/C=C/CNC(=O)c1ccc(N=NC(N)=O)cc1 1497766093 PKUWRORFTKIMCX-XZFMURBMSA-N 346.391 0.813 10 10 ECCE Nc1ccc(CS(=O)(=O)NCCS(=O)(=O)C(F)F)cc1 2232498928 QXMAJGIWDDHILR-UHFFFAOYSA-N 328.362 0.326 10 10 ECCE O=C(c1cc(O)nc(O)c1)N1CCc2nc3ccccn3c(=O)c2C1 238817325 BTYHYIWTWNXTPA-UHFFFAOYSA-N 338.323 0.699 10 10 ECCE Cn1cc(/C=C\C(=O)N2CCc3c(F)cc(F)cc32)c(=O)n(C)c1=O 255448384 LATFCHMYPJOPBD-ARJAWSKDSA-N 347.321 0.965 10 10 ECCE COc1ccc(O)c(CNC(=O)C2(n3cnnn3)CCOCC2)c1 830543706 CASYQTHJNAYXFJ-UHFFFAOYSA-N 333.348 0.209 10 10 ECCE CS(=O)(=O)Nc1ccc(O)c(C(=O)NC23CCN(CC2)C3)c1 913631636 VOPWFGPSYRPVBN-UHFFFAOYSA-N 325.390 0.342 10 10 ECCE COC[C@H]1CN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C[C@@H](C)O1 1119015280 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10 10 ECCE OCc1ccc(N2C[C@@H]3OC[C@@H](CO)O[C@@H]3C2)cc1Br 2279762903 SSOHSMJRODAGJB-KWCYVHTRSA-N 344.205 0.906 10 10 ECCE CN1C(=O)NC(=O)C(=CNC2CCN(Cc3ccccc3)CC2)C1=O 2296933517 RDPCGRBFJMEYJN-UHFFFAOYSA-N 342.399 0.833 10 10 ECCE CCOc1ccc(O)c(CN2CCN(C(=O)C(=O)NC(C)C)CC2)c1 271021831 CEDUGNDOXIUQDG-UHFFFAOYSA-N 349.431 0.960 10 10 ECCE CSc1ncc(CN[C@@](C)(C(=O)O)C2CS(=O)(=O)C2)s1 2378420344 SOPHOYYOJJLJPV-LLVKDONJSA-N 336.460 0.843 10 10 ECCE COc1ccc(-c2nnc(SCC(=O)C(C)=O)n2N)c(OC)c1 808016765 VBQSCYWOEJNBSD-UHFFFAOYSA-N 336.373 0.926 10 10 ECCE COc1ccc(CNC(=O)C(=O)Nc2cn(C)nc2OC)c(O)c1 797387567 LIGHAXVVLVWLTK-UHFFFAOYSA-N 334.332 0.398 10 10 ECCE COC(=O)/C=C/[C@H](C)NC(=O)c1cc(NS(C)(=O)=O)ccc1O 1305797060 GLZDSYIFDLPELR-IYNCYZAOSA-N 342.373 0.611 10 10 ECCE CC[C@@H](CNC(=O)Cn1ncnn1)NCc1ccc(OC)c(C)c1 1481812118 GUJWAGUPWMLFHL-AWEZNQCLSA-N 332.408 0.675 10 10 ECCE CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ns[nH]c1=O 1628854279 LLYXSKVMFJBOGO-UHFFFAOYSA-N 334.401 0.940 10 10 ECCE Cn1c(=O)nc(O)c2cc(C(=O)NCc3c(O)cccc3O)cnc21 1639289471 QTCMEYAEDLVEDZ-UHFFFAOYSA-N 342.311 0.375 10 10 ECCE C[C@@H](C(N)=S)S(=O)(=O)Nc1ccc(NS(C)(=O)=O)cc1 2160436377 RYTVRAYLAPPIGP-ZETCQYMHSA-N 337.448 0.474 10 10 ECCE Cc1cc(O)n2ncc(C(=O)N3CC(C)(N4CCOCC4)C3)c2n1 2065046187 PFSRYWMJWPWVCS-UHFFFAOYSA-N 331.376 0.290 10 10 ECCE O=C1Nc2cc(N3CC[C@@H]3[C@H](O)CO)c(Br)cc2[C@@H]1O 2286206158 HHDYDGMZUXNXDW-JLLWLGSASA-N 343.177 0.367 10 10 ECCE COc1nccc(O[C@H]2CCCN(C(=O)c3cc(O)nc(O)c3)C2)n1 585347802 VNFABXROAVDPPR-NSHDSACASA-N 346.343 0.975 10 10 ECCE C[C@@H]1CN(C(=O)C2=CC=CN3CCS(=O)(=O)N=C23)c2ccnn2C1 893905585 QTWPJLZPYWXDIU-LLVKDONJSA-N 347.400 0.363 10 10 ECCE COC(=O)[C@H](Cc1ccncc1)NC(=O)Cc1ccc(O)c(O)c1 1636430058 MFACMIIYTRVJRE-ZDUSSCGKSA-N 330.340 0.936 10 10 ECCE COc1cccc(CNC(=O)N[C@@H]2CCc3nnnn3CC2)c1O 1636271350 JHIBQKVORRZTAG-LLVKDONJSA-N 332.364 0.592 10 10 ECCE COCc1nnc(NC(=O)CCN2C(=O)CSC2=S)s1 1865768378 QQDKETCLWGLGGC-UHFFFAOYSA-N 332.432 0.873 10 10 ECCE O=C(O)c1cc(O)ccc1NS(=O)(=O)C1CC2(C1)OCCO2 2277968241 HFDJZPPLILVOKK-UHFFFAOYSA-N 329.330 0.738 10 10 ECCE COc1ccc(N2CCN(C(=O)CN3CCNC(=O)CC3)CC2)cc1 54258060 RMLUEUHOLQWDRX-UHFFFAOYSA-N 346.431 0.166 10 10 ECCE CNC(=O)NC[C@H]1CN(Cc2cc(F)cc(C(C)=O)c2O)CCO1 528630312 ZTVCBIMCWFQGSW-ZDUSSCGKSA-N 339.367 0.864 10 10 ECCE CN(C)c1ccc(CNC(=O)N2CCN(c3nncn3C)CC2)cc1 847278814 VPQPNIUUYCGHHU-UHFFFAOYSA-N 343.435 0.913 10 10 ECCE COc1ccc(N2CC[C@@H](NS(=O)(=O)c3ccn(C)n3)C2)cc1 849417755 ZWXMCUDDLPHWQR-GFCCVEGCSA-N 336.417 0.986 10 10 ECCE COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)COCC(=O)O 844254633 ZNPSZECRTGCHKK-UHFFFAOYSA-N 345.735 0.648 10 10 ECCE CN(C)c1ccc([C@@H](N)CNS(=O)(=O)[C@H]2CCCNC2)cc1 923633118 DCUPHRWVUNEBQT-GJZGRUSLSA-N 326.466 0.424 10 10 ECCE CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C1=NO[C@@H](CN)C1 852857518 VZJUTCVCYOJGOD-OAHLLOKOSA-N 332.404 0.585 10 10 ECCE COc1ccc(N2CC[C@@H](NC(=O)C(=O)Nc3cncnc3)C2)cc1 850538308 YIUAQCBJINJVMB-GFCCVEGCSA-N 341.371 0.819 10 10 ECCE CS(=O)(=O)NCC1CCN(C(=O)c2c(F)ccc(O)c2O)CC1 1472561771 ZMBYPFSTTSIRLG-UHFFFAOYSA-N 346.380 0.638 10 10 ECCE CC(C)(C)OC(=O)NC[C@H](O)C(=O)NCc1c(O)cccc1O 1639292616 KHQKQEIEVMBFCX-LBPRGKRZSA-N 326.349 0.600 10 10 ECCE Cn1cc(/C=C\C(=O)NCc2c(O)cccc2F)c(=O)n(C)c1=O 1635360177 CGKFWGXUDTTWMK-SREVYHEPSA-N 333.319 0.258 10 10 ECCE Nc1ccc(CC(=O)N[C@H]2CCCCN2[C@@H]2C(=O)CSC2=O)cc1 1865957008 ORSHGOKGNWKYTB-GDBMZVCRSA-N 347.440 0.951 10 10 ECCE O=C1CCN(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)CCN1 823554521 WEIZHZJZIBFDHJ-UHFFFAOYSA-N 346.431 0.679 10 10 ECCE CN(C)c1cc(F)c(CNC2CN(S(=O)(=O)N(C)C)C2)cc1F 858313235 CMIMICOMJUOXLR-UHFFFAOYSA-N 348.419 0.611 10 10 ECCE CC[C@H]1C(=O)N(CC)CCN1C(=O)C(=O)N1Cc2cccc(O)c2C1 1118950771 GZYZDUFVYNYKKR-AWEZNQCLSA-N 345.399 0.704 10 10 ECCE COCCCS(=O)(=O)NCC(=O)N1Cc2cccc(O)c2C1 871202795 GIKWXLLCAIMGQF-UHFFFAOYSA-N 328.390 0.190 10 10 ECCE COc1ccc(N2CC[C@@H](NC(=O)C(=O)NCC(C)(C)OC)C2)cc1 1328952657 CWCHEPPTKSEWML-CYBMUJFWSA-N 349.431 0.931 10 10 ECCE COc1ccc(CN[C@H](C)CNC(=O)C[C@@H]2NC(=O)NC2=O)cc1C 1265785513 DMOYBUNWSYTWRA-YPMHNXCESA-N 348.403 0.196 10 10 ECCE NS(=O)(=O)c1ccc(C(=O)NCc2cc(O)ccc2O)c(F)c1 1455355980 FPVAFPYDEXPQSF-UHFFFAOYSA-N 340.332 0.814 10 10 ECCE COCCC(=O)NC[C@H](C)NC(=O)c1cc(OC)nc(OC)c1 1526320873 NOFQCPHOMTYFDO-JTQLQIEISA-N 325.365 0.370 10 10 ECCE COC(=O)[C@@H]1[C@H](O)CCCN1C(=O)c1ccc(N=NC(N)=O)cc1 1616332911 IXHVFKZBFHRALI-NEPJUHHUSA-N 334.332 0.988 10 10 ECCE Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NC[C@H](O)C(N)=O)c1 1556459773 CHCDNPLKPLCTEF-HNNXBMFYSA-N 329.356 0.483 10 10 ECCE CC(C)CC(=O)N[C@H](CC(N)=O)C(=O)N[C@@H](C)c1ccccc1O 1642830569 HXQFIGCIMXNAFL-WCQYABFASA-N 335.404 0.976 10 10 ECCE Nc1ccc(OCCS(=O)(=O)N2CCC[C@@H]2C2OCCO2)cc1 2145844031 RHVQOTLRVHTAEP-CQSZACIVSA-N 342.417 0.815 10 10 ECCE CCN1C(=O)/C(=C\N[C@@H](CCSC)C(=O)O)C(=O)N=C1S 103128251 CTEDPQGFVGRVMW-UAPHAKCISA-N 331.419 0.341 10 10 ECCE O=C(CNC(=O)c1ccccc1)NCCN1C(=O)CSC1=S 49755939 NXFNLJWVDHBQKP-UHFFFAOYSA-N 337.426 0.393 10 10 ECCE C[C@H]1CCNC[C@H]1NC(=O)C(=O)NCc1ccc2c(c1)CCCN2C 842150240 PDPOTHZMKJOFSB-XJKSGUPXSA-N 344.459 0.799 10 10 ECCE CN(Cc1ccccc1O)C(=O)C(=O)N1CC[C@@H](O)C(F)(F)C1 1330353292 NYYPXVDRRTTXLF-GFCCVEGCSA-N 328.315 0.579 10 10 ECCE COc1ccc(CN[C@H](C)CN(C)C(=O)[C@H](C)NC(N)=O)cc1C 1331427113 MROZFSWFODIEBX-OLZOCXBDSA-N 336.436 0.997 10 10 ECCE Cc1ccc(O)c(CNS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])c1 1331573326 FIFNWIOLJSHLNE-UHFFFAOYSA-N 326.334 0.821 10 10 ECCE COc1ccc(CNC[C@H](O)CNC(=O)Cc2cncn2C)cc1C 1268329692 WRLRJJCRJJTMCQ-INIZCTEOSA-N 346.431 0.547 10 10 ECCE CCOC(=O)C(NC(=O)Cc1ccc(O)c(O)c1)C(=O)OCC 1290654434 VZNMDTPJSQTYAE-UHFFFAOYSA-N 325.317 0.251 10 10 ECCE COC(=O)[C@@H](Cc1ccncc1)NC(=O)Cc1ccc(O)c(O)c1 1636430051 MFACMIIYTRVJRE-CYBMUJFWSA-N 330.340 0.936 10 10 ECCE COC(=O)c1cc(C2CN(C(=O)Cc3ccc(O)c(O)c3)C2)[nH]n1 1648526437 ANEJMIVZRVWZDR-UHFFFAOYSA-N 331.328 0.776 10 10 ECCE O=C(CCN1C(=O)CSC1=S)Oc1cccc(-n2cnnn2)c1 1865774562 OSRJSXKYTJPZHX-UHFFFAOYSA-N 349.397 0.818 10 10 ECCE C[C@@H](N)c1ccc(N2CC[C@](O)(CO)[C@H](O)C2)c(Br)c1 2234099082 ZSDHJZQEHCUBSY-FZQKWOKYSA-N 345.237 0.763 10 10 ECCE CC1=NN(c2ccccc2)C(=O)[C@H]1C=C1C(=O)NC(=S)N(C)C1=O 2297620282 SXIBLICFIHIRMJ-NSHDSACASA-N 342.380 0.825 10 10 ECCE CNS(=O)(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCOCC1 62370931 BVHQTKFJJXVBOJ-OAHLLOKOSA-N 342.465 0.180 10 10 ECCE C[C@@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)N[C@@H]1CCCNC1=O 1266994685 ABYMUCPWZXNRSN-GXFFZTMASA-N 346.391 0.836 10 10 ECCE CN(C)c1ccc(CNC(=O)C(=O)N2CCC3(COC3)C2)cc1F 827574964 KQXVORHBDYXLFH-UHFFFAOYSA-N 335.379 0.757 10 10 ECCE C[C@@H](O)CCNC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 734215133 CTZYGEXOHUZJBL-UKRRQHHQSA-N 348.447 0.958 10 10 ECCE CO[C@]1(CNC(=O)N(C)Cc2ccccc2O)CCS(=O)(=O)C1 925785927 YPVAKURNOIKIQK-HNNXBMFYSA-N 342.417 0.737 10 10 ECCE CN(C)CCn1cc(NC(=O)C(=O)NCc2ccccc2O)cn1 768723243 WZELYZLHPDXYGX-UHFFFAOYSA-N 331.376 0.405 10 10 ECCE O=C(NCc1c(O)cccc1O)[C@@H]1COCCN1CC(F)(F)F 1304053493 MKAFBHOINXTKIS-JTQLQIEISA-N 334.294 0.977 10 10 ECCE COc1ccc(CNC[C@H](O)CNC(=O)c2cnc(C)[nH]2)cc1C 1320204765 RBBUVIHODOGIOY-AWEZNQCLSA-N 332.404 0.916 10 10 ECCE COc1ccc(CN[C@H](CNC(=O)Cn2ncnn2)C(C)C)cc1C 1568451712 VGCFWTBSPREECB-OAHLLOKOSA-N 346.435 0.921 10 10 ECCE NS(=O)(=O)CC1CCN(C(=O)c2c(F)ccc(O)c2O)CC1 1654295210 YXKWFJRONHZGCA-UHFFFAOYSA-N 332.353 0.378 10 10 ECCE O=C(CNS(=O)(=O)c1ccccc1)NCc1cc(O)ccc1O 1593868524 MWJIHZDNQNZJJB-UHFFFAOYSA-N 336.369 0.693 10 10 ECCE COc1cc(C(=O)NC[C@@H](CO)NCc2ccc(OC)c(C)c2)on1 1676524608 MCKIVIASIWOSHR-ZDUSSCGKSA-N 349.387 0.881 10 10 ECCE CN1C[C@H](C(=O)O)N(Cc2c(O)cccc2Br)CC1=O 2143801112 OEHBCLWSWGEGMN-SNVBAGLBSA-N 343.177 0.882 10 10 ECCE C[C@@H](O)c1ccc(N2CCNC(=O)[C@@H]2C(N)=O)cc1Br 2184129692 AFONTGATOICGKA-HQJQHLMTSA-N 342.193 0.293 10 10 ECCE CCN1C(=O)[C@@H]2CN(C(=O)/C=C/c3ccc(O)c(O)c3)CCN2C1=O 374775671 DOABUGWLXJNCIE-FUEXJSSKSA-N 345.355 0.606 10 10 ECCE COc1ccc(N2CC[C@H](NC(=O)CS(=O)(=O)N(C)C)C2)cc1 855225010 HMDYUTXCIFULHD-LBPRGKRZSA-N 341.433 0.282 10 10 ECCE C[C@H](NC[C@]12COCCN1C(=O)COC2)c1cc(F)cc(F)c1O 866551541 AQMXHYVXARJLQG-MGPLVRAMSA-N 342.342 0.949 10 10 ECCE C[C@@H]1NCC[C@H]1NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1 861766043 KGLWTBRUULZMOV-XJKSGUPXSA-N 330.432 0.770 10 10 ECCE C[C@@H](NC[C@@H](O)CN1CCOCC1)c1ccc(N2CCOCC2)cc1 775258642 ICLSARXTJCUHQT-VQIMIIECSA-N 349.475 0.867 10 10 ECCE CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)C12CCN(CC1)C2 1339410291 QPWZORTVLNCKOG-ZDUSSCGKSA-N 348.399 0.784 10 10 ECCE O=C1CN(C(=O)C(=O)N2Cc3cccc(O)c3C2)[C@@H]2CCCC[C@H]2N1 1335556137 DSALKHAWWMTMDD-ZIAGYGMSSA-N 343.383 0.504 10 10 ECCE Cn1cnc(/C=C\C(=O)N2CCc3ccc(S(N)(=O)=O)cc32)c1 1293332657 JQFUPAYDEZUQAN-HYXAFXHYSA-N 332.385 0.670 10 10 ECCE CS(=O)(=O)NCc1ccc(C(=O)NCc2ccc(O)cc2O)o1 1639444598 RHRMRFGOFQNAIB-UHFFFAOYSA-N 340.357 0.670 10 10 ECCE COc1ccc(CN[C@H](CO)CNC(=O)C(C)(C)C(N)=O)cc1C 1571432612 RZHLLUGJBQJZMX-ZDUSSCGKSA-N 337.420 0.082 10 10 ECCE NS(=O)(=O)C[C@@H]1CCN(C(=O)/C=C\c2ccc(O)c(O)c2)C1 1653068504 BZOMFTNLZUBKAS-CJHWANRJSA-N 326.374 0.248 10 10 ECCE O=C(O)C(=O)N1CCN(Cc2cc(Br)ccc2O)CC1 396628192 DUXMLHJXMBWVDE-UHFFFAOYSA-N 343.177 0.884 10 10 ECCE O=C(O)[C@@]1(O)CCN(Cc2c(O)cccc2Br)C[C@H]1O 2197461525 MUSHYDLZNZTWSR-DGCLKSJQSA-N 346.177 0.537 10 10 ECCE CC(C)(C)OC(=O)N1CCC(OCCOc2nnc(=N)[nH]n2)CC1 2213780948 LYFJXKYZIJWMKG-UHFFFAOYSA-N 340.384 0.474 10 10 ECCE NCc1ccc(N2C[C@@H]3OC[C@H](CO)O[C@H]3C2)cc1Br 2279776194 SYAXPQMNWCVDCV-UBHSHLNASA-N 343.221 0.873 10 10 ECCE CC[C@H](C)N1C(=O)C(=CNCCN(CC)CC)C(=O)NC1=S 2296110004 CNCVRSWJSGHIIA-NSHDSACASA-N 326.466 0.844 10 10 ECCE Cn1c(=O)c2[nH]c(-c3ccc(N4CCOCC4)cc3)nc2n(C)c1=O 194106293 JPZJNKFRKFIOTM-UHFFFAOYSA-N 341.371 0.464 10 10 ECCE C[C@H]1COCC[C@H]1NC(=O)c1cc(NS(C)(=O)=O)ccc1O 278599195 QWGCITINYNQZBX-JOYOIKCWSA-N 328.390 0.919 10 10 ECCE CC(=O)N1CCN(c2ccc(CNC(=O)[C@H]3COC(=O)N3)cc2)CC1 907642173 YAOSCEBARBIDDV-OAHLLOKOSA-N 346.387 0.080 10 10 ECCE CC(=O)c1cc(Cl)cc(CN2CCN(CC(N)=O)C(=O)C2)c1O 839178504 GWMWZJDGVMLIMH-UHFFFAOYSA-N 339.779 0.378 10 10 ECCE CS(=O)(=O)N1CC[C@H](NC(=O)NCc2c(O)cccc2F)C1 923067109 CICGIKBYGYOBAF-VIFPVBQESA-N 331.369 0.364 10 10 ECCE COC(=O)/C=C\c1ccc(N2CCO[C@@H](CC(N)=O)C2)c([N+](=O)[O-])c1 858821469 JOFMVJVYIDYPFZ-FHMRSRPSSA-N 349.343 0.862 10 10 ECCE CS(=O)(=O)C[C@H](O)CNCc1ccc(N2CCOCC2)cc1 922827780 HXAHQPANZYMNFD-OAHLLOKOSA-N 328.434 0.018 10 10 ECCE CN(Cc1ccc(N(C)C)cc1)C(=O)CCS(=O)(=O)N(C)C 1440666691 OFWRVXRTQUEOMK-UHFFFAOYSA-N 327.450 0.993 10 10 ECCE O=C1NC[C@H](Cn2cc(C(=O)N3Cc4cccc(O)c4C3)nn2)O1 1455037844 VVPMIPHCIGCQFG-SNVBAGLBSA-N 329.316 0.248 10 10 ECCE O=C(CN1CCN(c2ccccn2)CC1)NCc1c(O)cccc1O 1472063676 NGIOCFREVKTBQL-UHFFFAOYSA-N 342.399 0.931 10 10 ECCE COc1ccc(CNC[C@H]2CN(C(=O)CNC(C)=O)CCO2)cc1C 1700145832 HXHKKNKDQDIJFD-INIZCTEOSA-N 349.431 0.457 10 10 ECCE O=C(CCN1C(=O)NC2(CCCC2)C1=O)NCc1cc(O)ccc1O 1593867714 CFCZQUVVSXBJGI-UHFFFAOYSA-N 347.371 0.969 10 10 ECCE NCc1cc(F)c(N2C[C@H]3C[C@H]2[C@@H](O)[C@@H]3O)cc1Br 2104413560 DNOOIUSPMRVPCQ-SZOBPAOMSA-N 331.185 0.977 10 10 ECCE CC(C)(C)OC(=O)NCC(=O)NCC(=O)N[C@@H]1CCC[C@@H]1N=[N+]=[N-] 2213590194 KNIAXKHPMLRDMI-ZJUUUORDSA-N 340.384 0.975 10 10 ECCE COc1ccc(O)c(CNC(=O)c2cn(C[C@@H]3CCOC3)nn2)c1 528861941 LCXYNHJKCDTIND-NSHDSACASA-N 332.360 0.959 10 10 ECCE CCOc1ccc(-n2ncc(C(=O)OCC(=O)C(C)=O)c2C)nn1 808492753 DGKLVLAMSYHQFZ-UHFFFAOYSA-N 332.316 0.684 10 10 ECCE COC(=O)/C=C/c1ccc(N2CCN[C@H](C(N)=O)C2)c([N+](=O)[O-])c1 298196100 QSNYXPYOFTULAF-TZNOJPMFSA-N 334.332 0.045 10 10 ECCE COc1ccc(N2CC[C@H](NC(=O)[C@@H]3CCS(=O)(=O)N3)C2)cc1 855223130 FFATUHJUJJMYLX-FZMZJTMJSA-N 339.417 0.082 10 10 ECCE COc1ccc(CNS(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c(O)c1 795362180 JIYPWFUPLOGVMB-GHMZBOCLSA-N 330.406 0.844 10 10 ECCE COc1cccc(CNC(=O)c2cn(C)c3c(cnn3C)c2=O)c1O 1150543980 WHMKFDIOKNSEQH-UHFFFAOYSA-N 342.355 0.916 10 10 ECCE C[C@@H]1[C@@H](CO)CCCN1C(=O)c1cc(NS(C)(=O)=O)ccc1O 1570272899 AXXXPQSHNGSJGX-GHMZBOCLSA-N 342.417 0.997 10 10 ECCE COc1ccc(CNCCN(C)C(=O)[C@@H](C)S(C)(=O)=O)cc1C 1731923677 IWKNULSHTFBBGC-CYBMUJFWSA-N 342.461 0.985 10 10 ECCE CC(C)(C)OC(=O)NCC1(O)CN(C(=O)Cc2ccc(N)cc2)C1 1999461984 XGOWUKSGBJYJTH-UHFFFAOYSA-N 335.404 0.909 10 10 ECCE CC(C)(C)OC(=O)N[C@](C)(COc1nnc(=N)[nH]n1)C(F)(F)F 2210648962 YCYNJPKKFNDHFM-SNVBAGLBSA-N 338.290 0.904 10 10 ECCE Cn1nc(Br)c(=NC(=O)COc2ccc(N)cc2)[nH]1 2343077791 JOPSCHOVXYHXRX-UHFFFAOYSA-N 326.154 0.599 10 10 ECCE O=C(NCCN1C(=O)CSC1=O)Nc1cc(O)c(O)c(O)c1 217278953 WIOOYSVVRXIGKL-UHFFFAOYSA-N 327.318 0.620 10 10 ECCE NC(=O)N[C@H]1CCN(C(=O)NCc2ccc(N3CCOCC3)cc2)C1 270668011 LBDRLLSDOROVJX-AWEZNQCLSA-N 347.419 0.475 10 10 ECCE O=C(/C=C/Cn1cncn1)NCc1ccc(N2CCOCC2)cc1 900337113 BBUFTCHVSVEPOR-OWOJBTEDSA-N 327.388 0.987 10 10 ECCE C[C@H]1CC[C@@H](C(N)=O)CN1CC(=O)NCc1ccc(N(C)C)cc1 839480724 LZLMOOLRJLFMSE-DZGCQCFKSA-N 332.448 0.955 10 10 ECCE CC(=O)N1CCO[C@H](C(=O)NC[C@H](N)c2ccc(N(C)C)cc2)C1 911667074 MENTZAGEXNAIOH-HOTGVXAUSA-N 334.420 0.116 10 10 ECCE C[C@@H](NC1CN(S(=O)(=O)N(C)C)C1)c1cc(F)cc(F)c1O 858569506 JBVZYJUEORMDMI-MRVPVSSYSA-N 335.376 0.812 10 10 ECCE Cc1nn(CC(=O)NCc2cc(Br)ccc2O)c(=O)o1 879965276 DCBKTAMFHVTOND-UHFFFAOYSA-N 342.149 0.929 10 10 ECCE Nc1nonc1N=NN(CC(=O)N1CCCCC1)c1nonc1N 1084529779 PDGXNHITUUNNSW-UHFFFAOYSA-N 336.316 0.135 10 10 ECCE C[C@@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)NCc1ncnn1C 1317288286 HFKOEXQCJAKNPW-JTQLQIEISA-N 344.379 0.886 10 10 ECCE C[C@H](O)CCNC(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 1255508891 IIAXIXQPSPQCHC-ZDUSSCGKSA-N 348.447 0.958 10 10 ECCE O=C(c1cc(O)cs1)N1CCOC2(CCS(=O)(=O)CC2)C1 1522439508 AZSJUJNKTWRHBW-UHFFFAOYSA-N 331.415 0.874 10 10 ECCE COc1cncc(NC(=O)c2cc(NS(C)(=O)=O)ccc2O)n1 1645475184 WGTQAMWQZHSCEL-UHFFFAOYSA-N 338.345 0.815 10 10 ECCE Cn1nnc(Br)c1CNC(=O)c1cccc(O)c1O 1965342259 DMQRKOQYXBWOQM-UHFFFAOYSA-N 327.138 0.919 10 10 ECCE CN(C)/C=C1/SC(=S)N(N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)C1=O 102675185 NNSTYYQFKPMQNE-AWOZJEFPSA-N 349.437 0.972 10 10 ECCE CCNS(=O)(=O)[C@H]1CCN(Cc2cc([N+](=O)[O-])ccc2O)C1 179458844 NXQMVACXBQCRRS-LBPRGKRZSA-N 329.378 0.814 10 10 ECCE O=C1Nc2cc(N3CC([C@H](O)CO)C3)c(Br)cc2[C@@H]1O 2361993514 XICXXDZBQPVPHL-NEPJUHHUSA-N 343.177 0.224 10 10 ECCE CN1C[C@@H](NC(=O)NCc2ccc(N3CCOCC3)cc2)CCC1=O 124442081 UWMMPNFQQJSNOK-HNNXBMFYSA-N 346.431 0.943 10 10 ECCE COc1cccc(CNC(=O)/C=C\c2cn(C)c(=O)n(C)c2=O)c1O 769502986 DSADRADGSYACNA-FPLPWBNLSA-N 345.355 0.128 10 10 ECCE CNC(=O)NCCC(=O)NC[C@@H](C)NCc1ccc(OC)c(C)c1 1317235629 NIGQRYNTXHWFNP-CYBMUJFWSA-N 336.436 0.917 10 10 ECCE CC[C@H](C)C(=O)NC[C@@H](CO)NC(=O)c1cc(OC)nc(OC)c1 1337530784 NNBWDJHBTTXKGX-JQWIXIFHSA-N 339.392 0.352 10 10 ECCE CN(C)c1ccc(CNC(=O)C(=O)N2CCCn3nncc3C2)cc1 1332773752 DJYMKMHZAXWHOR-UHFFFAOYSA-N 342.403 0.393 10 10 ECCE COc1ccc(CN[C@@H](CO)CNC(=O)c2ncccn2)cc1C 1283816651 QRIRFQZOGVNPSN-CQSZACIVSA-N 330.388 0.674 10 10 ECCE COc1ccc(-n2nnnc2CN(C)CCNC(=O)[C@H]2C[C@H]2C)cc1 1731762056 QAWNIQGMYXZCPI-DOMZBBRYSA-N 344.419 0.875 10 10 ECCE COc1ccc(CNC[C@H](O)CNC(=O)c2ccncn2)cc1C 1667912202 OCAQEMZBNISKLY-AWEZNQCLSA-N 330.388 0.674 10 10 ECCE CNC(=O)CN(CC(=O)NC)c1ccc(CN)c(Br)c1 720543435 IHBQFJZHJBEJSD-UHFFFAOYSA-N 343.225 0.206 10 10 ECCE CC(=O)N1C[C@H]2CN(C(=O)c3cnn4c(O)cc(C)nc34)C[C@H]2C1 2062436006 NMMMJRCUKPXUAI-TXEJJXNPSA-N 329.360 0.294 10 10 ECCE CN(C(=O)/C=C/c1cn(C)c(=O)n(C)c1=O)c1ccc2c(c1)OCO2 492281081 BBDDEBZQFLRIKP-QPJJXVBHSA-N 343.339 0.489 10 10 ECCE [N-]=[N+]=N[C@@H]1[C@H](Oc2ccc([N+](=O)[O-])cc2F)O[C@H](CO)[C@@H](O)[C@@H]1O 504817747 VGSOOKDSKZDDNJ-IYKVGLELSA-N 344.255 0.231 10 10 ECCE O=C(NCCn1cnc2ccsc2c1=O)c1cc(O)nc(O)c1 238881174 PHEYLPMQVQADFG-UHFFFAOYSA-N 332.341 0.694 10 10 ECCE COC[C@@H](O)CNC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 801746696 AVEUNERCJQAUNS-CJNGLKHVSA-N 337.420 0.891 10 10 ECCE CO[C@H]1C=C[C@](CNC(=O)c2ccc(-n3ccnc3)nn2)(OC)O1 585231004 CNQHGMYYSGYDQS-HIFRSBDPSA-N 331.332 0.294 10 10 ECCE COCCCn1nc(C(=O)NCc2cccc(OC)c2O)ccc1=O 830541498 YZLDIUJTVHDHTP-UHFFFAOYSA-N 347.371 0.924 10 10 ECCE CN(Cc1ccc(N(C)C)cc1)C(=O)CN1CCC[C@H](NCCO)C1 923407011 HROVYKBXJVNGIJ-KRWDZBQOSA-N 348.491 0.757 10 10 ECCE COc1ccc(N2CC[C@H](N3C(=O)N[C@H](CN(C)C)C3=O)C2)cc1 924978658 NXRVKBUDSBEHIM-DZGCQCFKSA-N 332.404 0.756 10 10 ECCE CC(=O)C(=O)COC(=O)[C@]1(C)CN(C(=O)OC(C)(C)C)CCO1 869579738 IVKPSTXTKAMOHC-HNNXBMFYSA-N 329.349 0.714 10 10 ECCE Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C(=O)N[C@@H]1CCN[C@H]1C 861741701 WGATWQYGFIZWFV-GRDNDAEWSA-N 346.475 0.975 10 10 ECCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C1CC2(C1)CS(=O)(=O)C2 1138152464 IFLXQEFYKXUXAJ-SNVBAGLBSA-N 339.413 0.970 10 10 ECCE Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CCNC(=O)CC1 1322980514 SSJOBPJLWVIXOX-UHFFFAOYSA-N 332.404 0.026 10 10 ECCE Cc1c(CN(C)C(=O)C(=O)N2Cc3cccc(O)c3C2)cnn1C 1261865466 FDKNUNFIRLPBGC-UHFFFAOYSA-N 328.372 0.935 10 10 ECCE COc1ccc(CN[C@@H](CO)CNC(=O)c2c(C)ncn2C)cc1C 1717769275 CUPXQMFBBVFFBV-OAHLLOKOSA-N 346.431 0.926 10 10 ECCE COc1ccc(CN[C@H](CO)CNC(=O)Cn2ccnc2C)cc1C 1676609038 KVYMTHINISZVDF-INIZCTEOSA-N 346.431 0.775 10 10 ECCE CNCc1ccc(N2CCOC[C@@H]2[C@@H](O)CO)c(Br)c1 2146332787 CTVODUFNZRKTRK-KGLIPLIRSA-N 345.237 0.727 10 10 ECCE NCc1ccc(N2C[C@@H]3C[C@H]2[C@@H](O)[C@H]3O)c(F)c1Br 2329332812 PBCMRYHYWNZFEZ-MPZLTGKNSA-N 331.185 0.977 10 10 ECCE COc1ccc(O[C@@H]2CCCN(C(=O)c3cc(O)nc(O)c3)C2)nn1 238812520 AQNJOJWNUXLLAN-LLVKDONJSA-N 346.343 0.975 10 10 ECCE CC(C)[C@]1(C(=O)O)N[C@H](c2ccc(O)c(O)c2)[C@H]2C(=O)NC(=O)[C@H]21 248191505 LLGIIQSEJVXBIT-OVZMXSCWSA-N 334.328 0.110 10 10 ECCE CN1C[C@H](NC(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)CCC1=O 287104389 SREIOPCIMPWSEV-CQSZACIVSA-N 346.431 0.448 10 10 ECCE C[C@@H](N)c1ccc(N(CC(N)=O)CC(N)=O)c(Br)c1 723167621 UBNWBBRHKMMYDU-SSDOTTSWSA-N 329.198 0.246 10 10 ECCE CN(CC(=O)NCc1c(O)cccc1F)[C@H]1CCS(=O)(=O)C1 928709190 XZRBXTXZJXOEGZ-JTQLQIEISA-N 330.381 0.266 10 10 ECCE COc1ccc(N2CC[C@@H](NC(=O)Cn3cnc([N+](=O)[O-])n3)C2)cc1 855230633 QTPFYYRSFWOQGQ-LLVKDONJSA-N 346.347 0.590 10 10 ECCE CN(C)c1ccc(CNC(=O)CN2CC[C@@H](Cn3ccnn3)C2)cc1 852315642 VWDMGCVFTMLBLE-MRXNPFEDSA-N 342.447 0.982 10 10 ECCE CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NCc1ccccc1O 860235105 XCJLFFDQVFTIMP-UHFFFAOYSA-N 335.404 0.818 10 10 ECCE COc1ccc(N2CCN(S(=O)(=O)N=S(C)(C)=O)CC2)cc1 866388200 DFRXHKOOFGSZBQ-UHFFFAOYSA-N 347.462 0.790 10 10 ECCE COc1cccc(CNC(=O)[C@@H](NS(C)(=O)=O)C(C)C)c1O 1150542529 BNOKYXKNZDWWNG-LBPRGKRZSA-N 330.406 0.591 10 10 ECCE C[C@@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)N[C@H]1CCNC1=O 1317287965 FQGQJUOUVMEJPN-CABZTGNLSA-N 332.364 0.445 10 10 ECCE CNC(=O)NCC(=O)NC[C@@H](C)CNCc1ccc(OC)c(C)c1 1319197342 VSPUOUZOEACWSM-LBPRGKRZSA-N 336.436 0.775 10 10 ECCE CN(C)S(=O)(=O)N1CC(NCc2ccc(N3CCCC3)cc2)C1 1329531180 SBCVTOZMOAKAPE-UHFFFAOYSA-N 338.477 0.867 10 10 ECCE COc1ccc(CN[C@@H](C)[C@@H](C)NC(=O)c2nnn(C)n2)cc1C 1275469391 KMUXCFGCBDMXFX-NWDGAFQWSA-N 332.408 0.824 10 10 ECCE COc1ccc(CNC[C@@H](O)CNC(=O)c2ncn(C)n2)cc1C 1715583914 HIFZOLNWVIYYSG-CYBMUJFWSA-N 333.392 0.013 10 10 ECCE COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)NCc1c(O)cccc1F 1684478172 PSTSJDNYEOGWDM-IUCAKERBSA-N 341.339 0.397 10 10 ECCE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](O)[C@@H]1C(=O)N1CC[C@@H](N=[N+]=[N-])C1 2022958818 HKFPNNGIOQJRQN-YTWAJWBKSA-N 341.368 0.239 10 10 ECCE Cc1c(C=C2C(=O)NC(=O)N(C)C2=O)c(O)nn1-c1ccccc1 2296553720 KQOKCSKQHNPHCH-UHFFFAOYSA-N 326.312 0.978 10 10 ECCE Cc1ccc(C(=O)N[C@@H]2CCN(C3CCOCC3)C2=O)c(O)c1O 364700248 KQOSHHACGCEGKA-CYBMUJFWSA-N 334.372 0.916 10 10 ECCE CC(=O)C(=O)COC(=O)CN1C(=O)N[C@]2(CCCC(C)(C)C2)C1=O 808527611 KDRRWVXBEGQRCJ-INIZCTEOSA-N 338.360 0.579 10 10 ECCE O=C(CO)NCCC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 907105714 WMGZDKQONZZBFO-AWEZNQCLSA-N 336.388 0.398 10 10 ECCE COc1ccc(N2CC[C@H](NC(=O)[C@H](C)N3C(=O)CCC3=O)C2)cc1 855230959 GVNMYUNUHTVELU-STQMWFEESA-N 345.399 0.928 10 10 ECCE COC(=O)[C@@H]1OCC[C@@H]1CN1C(=O)CN(Cc2ccccc2O)C1=O 865325018 MVOFKNQVCOUPIW-IUODEOHRSA-N 348.355 0.735 10 10 ECCE CN(Cc1ccccc1O)C(=O)C(=O)N1C[C@H]2CC[C@H]1[C@H]1CNC[C@@H]21 1118973584 FVVMWRPAYCTPFP-OEAJRASXSA-N 343.427 0.807 10 10 ECCE O=C(NCc1c(O)cccc1O)C1=CN2CCS(=O)(=O)N=C2C=C1 1178905971 UKOQZULZYQUWNS-UHFFFAOYSA-N 349.368 0.212 10 10 ECCE COCc1ncc(CNC(=O)/C=C\c2ccc(O)c(O)c2)c(N)n1 1298395962 NBTAPTUCPGCKFO-HYXAFXHYSA-N 330.344 0.946 10 10 ECCE COC(=O)[C@H]1[C@H](O)CCCN1C(=O)c1ccc(N=NC(N)=O)cc1 1616332916 IXHVFKZBFHRALI-VXGBXAGGSA-N 334.332 0.988 10 10 ECCE Cc1ccc(O)c(CNC(=O)NC[C@]23COCCN2C(=O)OC3)c1 1471133698 QNEBCWOFVHMQHV-MRXNPFEDSA-N 335.360 0.721 10 10 ECCE Cc1cnc(S(C)(=O)=O)nc1C(=O)NCc1c(O)cccc1F 1596912168 MEXUMUQPOAHGLL-UHFFFAOYSA-N 339.348 0.963 10 10 ECCE O=C1C[C@]2(CCN(c3cc4c(cc3[N+](=O)[O-])OCC(=O)N4)C2)CN1 369656688 RRJTWKJQDCYXEI-OAHLLOKOSA-N 332.316 0.642 10 10 ECCE CCn1cncc1S(=O)(=O)NC[C@@H](N)c1ccc(N(C)C)cc1 842785682 VFKXSGHFWJTRPZ-CQSZACIVSA-N 337.449 0.947 10 10 ECCE C[C@@H]1C[C@H]1NC(=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C 1333189811 MOJWNBHTBPGBKZ-WQVCFCJDSA-N 332.448 0.996 10 10 ECCE C[C@@H](NC(=O)CNS(=O)(=O)c1cnn(C)c1)c1ccccc1O 1471193874 MBUAGOBDXOYKFE-SNVBAGLBSA-N 338.389 0.281 10 10 ECCE C[C@@H](CNCc1nncn1C)NC(=O)c1ccc(N=NC(N)=O)cc1 1569099650 FWBWIXQPAIASRB-JTQLQIEISA-N 344.379 0.886 10 10 ECCE Cn1nc(Br)c(CNC(=O)c2cc(O)c(O)c(O)c2)n1 2235244462 IXFKSGHYCJWXHG-UHFFFAOYSA-N 343.137 0.624 10 10 ECCE COc1ccc(N2CC[C@@H](Nc3cc(=O)n(C)c(=O)n3C)C2)cc1 853760420 KLDMXGDBKAWMFF-GFCCVEGCSA-N 330.388 0.783 10 10 ECCE C[C@H](CCNC(=O)c1cc(NS(C)(=O)=O)ccc1O)[S@@](C)=O 763233201 OJCWAFOTUPCJSV-AOUSDQRYSA-N 348.446 0.651 10 10 ECCE CC(C)(C)OC(=O)NC[C@H](O)C(=O)NCc1cccc(O)c1O 1471642041 HDBCOBZSBWETGX-NSHDSACASA-N 326.349 0.600 10 10 ECCE O=S1(=O)N[C@@H]2CN(Cc3ccccc3O)C[C@H]2Oc2ncccc21 1615262774 LDHBHESZNGIKLU-TZMCWYRMSA-N 347.396 0.711 10 10 ECCE COc1ccc(CN[C@H](CO)CNC(=O)[C@@]23COC[C@@H]2C3)cc1C 1485994544 BCOJZDVWUVNLPH-MPGHIAIKSA-N 334.416 0.607 10 10 ECCE CO[C@@]1(CNC(=O)c2c(F)ccc(O)c2O)CCS(=O)(=O)C1 1559036740 VKMNKZTVOHUNRE-CYBMUJFWSA-N 333.337 0.170 10 10 ECCE O=C(NCc1cccc(O)c1O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 1558159909 OTRZXBZQXPEWKW-UHFFFAOYSA-N 327.296 0.558 10 10 ECCE Cn1cc(/C=C/C(=O)N2CCc3cccc(F)c32)c(=O)n(C)c1=O 492189635 WYQYLCSAMWSJIX-VOTSOKGWSA-N 329.331 0.826 10 10 ECCE Cn1cc(/C=C\C(=O)N2CCNCc3ccccc32)c(=O)n(C)c1=O 493866857 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WLLGJJFZZOSNLL-LBPRGKRZSA-N 328.210 0.859 10 10 ECCE Cc1cc(O)n2ncc(C(=O)N3CCN(c4ccnnc4)CC3)c2n1 2064226146 VVXSXXFRZXIEFA-UHFFFAOYSA-N 339.359 0.496 10 10 ECCE CC(=O)C(=O)[C@@]1(O)[C@@H]2COC[C@H]1C[C@H](NC(=O)OC(C)(C)C)C2 2244165992 ZRGKKHBXXICLNH-IYRJKCKUSA-N 327.377 0.825 10 10 ECCE O=C(O)C1=C/C(=C/C=[N+]2\CCc3cc(O)c(O)cc32)C[C@@H](C(=O)O)N1 56874781 GHQCCRRSVBDNAW-LBPRGKRZSA-O 345.331 0.710 10 10 ECCE in-vitro CC(=O)C(=O)COC(=O)[C@@H]1CC(=O)N(C(C)(C)C)[C@@H]1c1cnn(C)c1 808547757 QSEUVWPZUNBZBT-IUODEOHRSA-N 349.387 0.810 10 10 ECCE CC[C@H](COC)NC(=O)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 826840671 YHGYDFMNMGEQMB-KGLIPLIRSA-N 349.431 0.931 10 10 ECCE COc1ccc(N2CC[C@@H](NC(=O)NCC3(CO)COC3)C2)cc1 854300757 ZRNCQVKUNMXVPR-CYBMUJFWSA-N 335.404 0.582 10 10 ECCE COc1ccc(N2CCN(C[C@H](O)CN(C)[C@@H](C)CO)CC2)cc1 754069979 JDNCHUUCSADBJS-DOTOQJQBSA-N 337.464 0.491 10 10 ECCE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cn(C(F)(F)CO)nn1 1154024772 DDDWOQDMMGKHOV-QMMMGPOBSA-N 342.302 0.592 10 10 ECCE CN(Cc1ccccc1O)C(=O)C(=O)NC1CCC(C(N)=O)CC1 1328637642 GQXGEEBMQANZMS-UHFFFAOYSA-N 333.388 0.511 10 10 ECCE CCC(=O)N1CC(CCO)(NC(=O)c2ccc(N=NC(N)=O)cc2)C1 1280558090 RPPKRHSRBFOXNF-UHFFFAOYSA-N 347.375 0.952 10 10 ECCE COc1ccc(CNC[C@@H](O)CN(C)C(=O)[C@@H]2CCN(C)C2)cc1C 1700959011 RYBFHQGNGNGHOP-IAGOWNOFSA-N 349.475 0.864 10 10 ECCE COC[C@H](O)CNC[C@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 1716010814 YMJRWJBUCKOOMQ-GXFFZTMASA-N 337.380 0.564 10 10 ECCE CC(C)(C)OC(=O)N[C@@H](CS(C)(=O)=O)C(=O)NCCCN=[N+]=[N-] 1899532445 HRTFXCVHGAAONQ-VIFPVBQESA-N 349.413 0.741 10 10 ECCE NC(=O)C[C@@H](C(=O)O)N1C(=O)C(=Cc2ccc[nH]2)SC1=S 2314541347 KDMNITREGBXMSI-ZETCQYMHSA-N 325.371 0.545 10 10 ECCE COC(=O)[C@@H](F)CNC(=O)c1cc(NS(C)(=O)=O)ccc1O 838072183 QYEROYJZQVRUKP-VIFPVBQESA-N 334.325 0.005 10 10 ECCE C[C@H]1C(=O)N(C)CN1C(=O)c1cc(NS(C)(=O)=O)ccc1O 844101841 CXWQNNODUQLEJE-QMMMGPOBSA-N 327.362 0.024 10 10 ECCE CNS(=O)(=O)NCC(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C 840554136 DAIFRLQTQZCPRS-GFCCVEGCSA-N 342.465 0.162 10 10 ECCE COc1ccc(CNCCN(CCO)C(=O)c2ncn(C)n2)cc1C 1326021076 IEKJJNGXQUVIPT-UHFFFAOYSA-N 347.419 0.356 10 10 ECCE Cc1cc(N2CC[C@H](NC(=O)Cc3ccc(O)c(O)c3)C2=O)n(C)n1 1630388619 MOKUUXOVCILGNB-LBPRGKRZSA-N 344.371 0.604 10 10 ECCE O=C(NCCO)C1CCN(C(=O)c2c(F)ccc(O)c2O)CC1 1641783820 ITOSNOFANACKMO-UHFFFAOYSA-N 326.324 0.198 10 10 ECCE CNCc1ccc(N2CC(OCC(N)=O)C2)cc1Br 2089130559 ARZAKRPKSOADKM-UHFFFAOYSA-N 328.210 0.859 10 10 ECCE CS(=O)(=O)Nc1ccc(O)c(C(=O)NC[C@H]2CCC[C@@H]2O)c1 267948855 SSBILSNLMBYYQP-SKDRFNHKSA-N 328.390 0.655 10 10 ECCE CN(C)S(=O)(=O)N1CCCN(Cc2cc(F)ccc2O)CC1 368192353 XXXXLHUBMUAETH-UHFFFAOYSA-N 331.413 0.845 10 10 ECCE C[C@H]1CN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC(=O)N1C 282371983 WPXSNXLQXKCHJX-AWEZNQCLSA-N 332.448 0.874 10 10 ECCE CN1NN=C2C1=NCC[C@@H]2C(=O)NCCCSc1nccs1 827475383 ZPFAAVODXRAIKF-VIFPVBQESA-N 338.462 0.966 10 10 ECCE COCC[C@@H](C)NC(=O)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 827779609 JCAKFTNSOVZQHF-KGLIPLIRSA-N 349.431 0.931 10 10 ECCE CCOC(=O)c1cnn2c(O)cc(COC(=O)[C@H]3CCC[C@@H]3O)nc12 745325547 BBJJEPBRVUUKPN-JQWIXIFHSA-N 349.343 0.816 10 10 ECCE CN1CCN(c2ccc(CN3C[C@@H]4COC[C@]4(C(=O)O)C3)cc2)CC1 854242464 MOIGKHYRZDXFLC-VQIMIIECSA-N 345.443 0.971 10 10 ECCE COc1cccc(CNS(=O)(=O)C[C@H]2CN(C)CCO2)c1O 866840481 GTEXIWFNJUBESH-GFCCVEGCSA-N 330.406 0.151 10 10 ECCE COc1ccc(O)c([C@H](C)NS(=O)(=O)C[C@@H]2CN(C)CCO2)c1 866841675 KEWIJYVVWAOSNS-AAEUAGOBSA-N 344.433 0.712 10 10 ECCE COC[C@@H](O)CN(C)c1cc2c(cc1Br)[C@H](N)C(=O)N2 92775609 GRYFYOFHAQWPHH-MADCSZMMSA-N 344.209 0.845 10 10 ECCE COc1ccc(CN[C@H]2C[C@H](CNC(=O)Cn3cnnn3)C2)cc1C 1488809880 ZQGUBRXVJSGQFF-SHTZXODSSA-N 344.419 0.675 10 10 ECCE Cn1cc([C@H]2C[S@](=O)CCN2C(=O)Cc2ccc(O)c(O)c2)cn1 1556180466 LUSGURKOHZVKJQ-YEBMWUKDSA-N 349.412 0.706 10 10 ECCE CCOC(=O)c1cnn2c(O)cc(CN3CC[C@@H](O)[C@H](F)C3)nc12 1655838737 PHTRACSYAYSBHL-VXGBXAGGSA-N 338.339 0.516 10 10 ECCE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](O)[C@@H]1C(=O)Nc1ccc(N)cc1 2022815652 RVQLTGAFRAUKLU-XQQFMLRXSA-N 337.376 0.548 10 10 ECCE NCc1ccc(N2CCOC[C@H]2[C@@H](O)CO)c(Br)c1 2090136812 SWWLDLKNNCCROO-STQMWFEESA-N 331.210 0.466 10 10 ECCE Nc1ccc(CC(=O)N2CCC[C@H](C(=O)N3CCOCC3)C2)cc1 237888520 DFHFKLXVHDJDRY-HNNXBMFYSA-N 331.416 0.909 10 10 ECCE CCn1nccc1S(=O)(=O)NC[C@H](N)c1ccc(N(C)C)cc1 842785529 SZHUTOMVUXHROQ-AWEZNQCLSA-N 337.449 0.947 10 10 ECCE COc1ccc(N2CC[C@@H](NC(=O)[C@H]3CCS(=O)(=O)N3)C2)cc1 855223128 FFATUHJUJJMYLX-BXUZGUMPSA-N 339.417 0.082 10 10 ECCE Nc1ccc(CCNC(=O)C(=O)N2CCC[C@](O)(C3CC3)C2)cc1 851687625 GJDMXFFVOGTWFK-GOSISDBHSA-N 331.416 0.691 10 10 ECCE C[C@@H]1CC[C@@H](NC(=O)C(=O)NCc2ccc3c(c2)CCCN3C)CN1 861750209 OSHPAECEMPQSLE-CZUORRHYSA-N 344.459 0.942 10 10 ECCE COCn1cc(NC(=O)c2cc(NS(C)(=O)=O)ccc2O)cn1 1142817852 KIHNBCILMBGHEA-UHFFFAOYSA-N 340.361 0.816 10 10 ECCE CN(CC(=O)NCc1c(O)cccc1F)c1ncnc2[nH]cnc12 1156170081 FWLNDFPEIPKASL-UHFFFAOYSA-N 330.323 0.950 10 10 ECCE COc1ccc(N2CCCN(C(=O)NCc3nc(N)n[nH]3)CC2)cc1 1235043535 BGUHDHFPUGTEOV-UHFFFAOYSA-N 345.407 0.817 10 10 ECCE Cc1noc(CCNC(=O)C(=O)NCc2ccc(N(C)C)c(F)c2)n1 1327969314 UJLBNFNPSIRRAM-UHFFFAOYSA-N 349.366 0.558 10 10 ECCE Cn1cc(CNC(=O)C(=O)NCCCSc2nccs2)nn1 1346320926 DKAOBDCKDXILBQ-UHFFFAOYSA-N 340.434 0.186 10 10 ECCE CCOC(=O)c1cnn2c(O)cc(CN3C[C@H]4C[C@@H](O)C[C@H]3C4)nc12 1473685744 OOBOREDXHQLDSK-RAIGVLPGSA-N 346.387 0.957 10 10 ECCE COc1cccc(CNC(=O)NCC(C)(C)CS(N)(=O)=O)c1O 1479125766 XRAYDMDKOIOKMV-UHFFFAOYSA-N 345.421 0.515 10 10 ECCE COCC(=O)NCC1(NC(=O)c2ccc(N=NC(N)=O)cc2)CC1 1747746183 QIZSPSDGLIXOKU-UHFFFAOYSA-N 333.348 0.874 10 10 ECCE O=S1(=O)CC[C@@H](S(=O)(=O)Nc2ccc(O)c(Cl)c2)C1 2089614100 PGEVNDVMDQFQFI-MRVPVSSYSA-N 325.795 0.974 10 10 ECCE Cn1ncnc1CNC(=O)/C=C/c1ccc(N2CCOCC2)cc1 173440009 QGRSJETZDKZRDS-QPJJXVBHSA-N 327.388 0.981 10 10 ECCE CNC(=O)CN1CCCN(Cc2ccc(N3CCOCC3)cc2)CC1 378349056 INCGBWVIUZVIGF-UHFFFAOYSA-N 346.475 0.777 10 10 ECCE CO[C@@]1(CNC(=O)N(C)Cc2ccccc2O)CCS(=O)(=O)C1 925785930 YPVAKURNOIKIQK-OAHLLOKOSA-N 342.417 0.737 10 10 ECCE O=C(/C=C\c1ccc(O)c(O)c1)N1CCO[C@H](Cn2ccnn2)C1 1148171568 WSARNHDJKNTEFY-LSYFEZSPSA-N 330.344 0.630 10 10 ECCE CN(C)S(=O)(=O)c1cc(C(=O)NCc2ccc(O)cc2O)co1 1142533640 ORVKGHRNKQVHFY-UHFFFAOYSA-N 340.357 0.871 10 10 ECCE CN(Cc1ccc(N(C)C)cc1)C(=O)C1(CS(C)(=O)=O)COC1 1346115198 CAWNMMVXLMJVRJ-UHFFFAOYSA-N 340.445 0.772 10 10 ECCE O=C(O)[C@@H]1[C@@H](O)[C@@H](O)CN1Cc1c(O)cccc1Br 2136113278 GBFBQQFOIVMMAY-DCAQKATOSA-N 332.150 0.145 10 10 ECCE O=C1CN(c2ccc(NC(=O)Cc3ccc(O)c(O)c3)cn2)CCN1 1543660641 PPZONIUIBMHOAP-UHFFFAOYSA-N 342.355 0.610 10 10 ECCE Cc1ccc(C(=O)N2CCC3(CC2)C[C@H](O)CNC3=O)c(O)c1O 1636316933 LUHOFQWWQQGXSR-NSHDSACASA-N 334.372 0.509 10 10 ECCE COc1cc(C(=O)N[C@H](C)CNC(=O)c2cnco2)cc(OC)n1 1758784834 YEJXAILNOMQHMT-SECBINFHSA-N 334.332 0.635 10 10 ECCE COC(=O)[C@@H](Cc1cncs1)NC(=O)Cc1ccc(O)c(O)c1 1594694009 SEFYYKVUDHJUQZ-LLVKDONJSA-N 336.369 0.997 10 10 ECCE O=S1(=O)CC[C@@H](CNCc2c(O)cccc2Br)N1 1965976340 MIXWUSRLGZPPFN-QMMMGPOBSA-N 335.223 0.936 10 10 ECCE NCc1ccc(N2CC[C@@H](OCC(N)=O)C2)c(Br)c1 2089132395 BPIQINQXGIDUBC-SNVBAGLBSA-N 328.210 0.988 10 10 ECCE O=C(CN1CC(=O)NC1=O)NCc1cccc(Br)c1O 277562825 POAUDZJFXUUPRU-UHFFFAOYSA-N 342.149 0.323 10 10 ECCE COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CCN(C)S2(=O)=O)c1 843833264 ZWPPESANALODAL-ZANVPECISA-N 328.390 0.612 10 10 ECCE CO[C@H](CS(=O)(=O)NCCc1ccc(N)cc1)[C@H]1CCOC1 850586726 DOSSFIBEQDGKAO-DZGCQCFKSA-N 328.434 0.782 10 10 ECCE Cn1ccnc1[C@H]1CCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C1 1332057848 ZBIOAJUMCAQZDD-ZDUSSCGKSA-N 340.383 0.984 10 10 ECCE COc1ccc(N2CCN(CCCNC(=O)C3(O)COC3)CC2)cc1 1624528527 JLLMJIUUNNHMNM-UHFFFAOYSA-N 349.431 0.085 10 10 ECCE COc1ccc(CNC[C@@H](C)NC(=O)[C@H]2CN(C)C(=O)N2)cc1C 1699374517 TUTXVDDRYFXPFI-TZMCWYRMSA-N 334.420 0.622 10 10 ECCE COc1cc2c(cc1OC)CN(C(=O)C[C@H]1C(=O)NN(C)C1=O)CC2 169995901 NZBCNDVGWFHVMA-LBPRGKRZSA-N 347.371 0.098 10 10 ECCE CC[C@H](NC(=O)COC)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862279888 HRHWVRLDKKLCTR-INIZCTEOSA-N 349.431 0.885 10 10 ECCE CC(C)(C)OC(=O)N[C@@H](CO)CNC(=O)COc1ccc(N)cc1 2011516736 MZWCEBIPMLSPHB-GFCCVEGCSA-N 339.392 0.649 10 10 ECCE CCCN1CCCN(C(=O)c2cnn3c(O)cc(C)nc23)CC1=O 2062738424 RLYHMMOFGUISRZ-UHFFFAOYSA-N 331.376 0.828 10 10 ECCE CN[C@@H](C)c1ccc(N2C[C@@H](O)[C@@H](O)[C@H]2CO)c(Br)c1 2357916112 PYEOCILQKRXXAH-IYMWITQMSA-N 345.237 0.632 10 10 ECCE CN(C)C(=O)CCN1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC1 272677294 RJLIULFWOZEYDQ-GQCTYLIASA-N 347.415 0.734 10 10 ECCE CN(C)c1ccc(CNC(=O)[C@H]2CCN(C)S2(=O)=O)cc1F 843538293 CTCRXEKNODLVJG-CYBMUJFWSA-N 329.397 0.542 10 10 ECCE CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C=C1CCNCC1 852824143 QJCIWWGBNQEJQK-UHFFFAOYSA-N 335.429 0.794 10 10 ECCE CNC(=O)[C@@H](O)CNC(=O)Cc1cc(C)n(-c2ccccc2)c1C 857191728 RJLKIOFWGVADGH-INIZCTEOSA-N 329.400 0.860 10 10 ECCE COc1ccc(N2CC[C@@H](NS(=O)(=O)c3nncn3C)C2)cc1 867496374 BSFLXZFWOKASJG-LLVKDONJSA-N 337.405 0.381 10 10 ECCE COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2cn(C)nc2OC)c1 789561293 ABEAIVKCHUMJBI-VIFPVBQESA-N 348.359 0.959 10 10 ECCE O=C(CNC(=O)Cc1ccc(O)cc1)NCc1ccc(O)cc1O 1162279149 SGGQWZYRSDOPMI-UHFFFAOYSA-N 330.340 0.779 10 10 ECCE CN1CC[C@@H]2CN(C(=O)C(=O)N3Cc4cccc(O)c4C3)CC[C@@H]21 1329538545 UMDJYMKXEARBAI-HIFRSBDPSA-N 329.400 0.787 10 10 ECCE O=C1OC[C@H]2CN(C(=O)NCc3ccc(N4CCOCC4)cc3)C[C@@H]12 1334903262 SRPQYBNYRPVNPJ-GDBMZVCRSA-N 345.399 0.838 10 10 ECCE COc1ccc(-n2nnnc2CN(CCNC(C)=O)C2CC2)cc1 1267320731 TZZDDAQTTCOVCM-UHFFFAOYSA-N 330.392 0.771 10 10 ECCE COc1cc(C(=O)N[C@H](C)CNC(=O)c2cn(C)cn2)cc(OC)n1 1494676088 CKZYPYICRMZQPM-SNVBAGLBSA-N 347.375 0.381 10 10 ECCE COC(=O)[C@@H](Cn1cncn1)NC(=O)/C=C/c1ccc(O)c(O)c1 1639510768 VHLZGELRIWHLOG-JOAKQRRISA-N 332.316 0.061 10 10 ECCE COc1ccc(CNCCCN(C)C(=O)[C@@H]2CN(C)C(=O)N2)cc1C 1569230093 RXRCHFCYWVLXKF-HNNXBMFYSA-N 348.447 0.965 10 10 ECCE CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)NCCN=[N+]=[N-])[C@H](O)C1 1991838494 OUSBCVXWSGBBHN-NOZJJQNGSA-N 329.357 0.146 10 10 ECCE N[C@@H]1C(=O)Nc2cc(N3C[C@@H](O)C[C@@H](O)C3)c(Br)cc21 2161355873 ZZSMXQYTPQGTPR-KJNMHVQDSA-N 342.193 0.333 10 10 ECCE O=S1(=O)CC[C@H](S(=O)(=O)Nc2ccc(O)cc2Cl)C1 2089618753 OUQPOJHDIXWGQE-QMMMGPOBSA-N 325.795 0.974 10 10 ECCE O=C1COc2cc([N+](=O)[O-])c(N3CCCS(=O)(=O)CC3)cc2N1 370538025 DOBPVTGQQIGHRW-UHFFFAOYSA-N 341.345 0.551 10 10 ECCE Cc1ccc(C(=O)N[C@@H]2CCC[C@@H]2CNS(C)(=O)=O)c(O)c1O 800671026 PRVFMNVPVUONMB-ZYHUDNBSSA-N 342.417 0.854 10 10 ECCE COC[C@H]1CCN1C[C@@H](O)CN1CCN(c2ccc(OC)cc2)CC1 815127599 CBYBZJIXORBDLL-MSOLQXFVSA-N 349.475 0.899 10 10 ECCE COc1ccc(N2CC[C@@H](NC(=O)CCN3C(=O)CCC3=O)C2)cc1 855230785 YBYOZRZBBUJFEZ-CYBMUJFWSA-N 345.399 0.929 10 10 ECCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CN1C(=O)NC(=O)C1(C)C 773740763 SUYKVFRHHSPECD-SECBINFHSA-N 335.360 0.475 10 10 ECCE Cn1cc(/C=C\C(=O)N2Cc3cccc(O)c3C2)c(=O)n(C)c1=O 1175029760 LPRTUIWKDHIBPS-SREVYHEPSA-N 327.340 0.345 10 10 ECCE COc1ccc(CNC2(CNC(=O)[C@@H]3CNC(=O)N3)CC2)cc1C 1323525407 MSYHHWIIQODBBN-ZDUSSCGKSA-N 332.404 0.423 10 10 ECCE O=C(C(=O)N1C[C@H]2CC[C@H]1[C@@H]1CNC[C@@H]21)N1Cc2cccc(O)c2C1 1330568857 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SLVYELBGZPNJQQ-HOTGVXAUSA-N 336.432 0.997 10 10 ECCE CN(C)c1ccc(CNC(=O)CN2CC[C@H]3COC(=O)N[C@@H]3C2)cc1 1654120805 BLROEUSUWXXWQY-GOEBONIOSA-N 346.431 0.799 10 10 ECCE CCCC(=O)NC[C@H](CO)NC(=O)c1cc(OC)nc(OC)c1 1680187378 KRMYPVNEUGUDTP-LLVKDONJSA-N 325.365 0.106 10 10 ECCE Cc1cccc2c1CCN2C(=O)/C=C/c1cn(C)c(=O)n(C)c1=O 127714667 GMUPMTDIPLZCRO-BQYQJAHWSA-N 325.368 0.995 10 10 ECCE CCOC(=O)C[C@@H]1C[C@H](OC)CN1C(=O)C(=O)Nc1ccc(N)cc1 841092294 CEWIPWXBYPGCTF-KBPBESRZSA-N 349.387 0.776 10 10 ECCE C[C@H]1CCN1C(=O)C(=O)NCc1ccc(N2CCC(O)CC2)cc1 1331714247 AZOHWUZFRJTCOG-ZDUSSCGKSA-N 331.416 0.885 10 10 ECCE COc1ccc(N2CCN(C(=O)C[C@@H]3CC(=O)NC3=O)CC2)cc1 929249269 CNBKBKOEHXWIEE-LBPRGKRZSA-N 331.372 0.397 10 10 ECCE Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@@H]1CC[C@@H](C)NC1 861749978 CEABFHWIRNBABW-UKRRQHHQSA-N 332.448 0.934 10 10 ECCE OCc1ccc(N2CC3(C2)OC[C@H](O)[C@@H]3O)cc1Br 2127265024 UPPOCMQWQDYCDX-RYUDHWBXSA-N 330.178 0.252 10 10 ECCE C[C@@H](NC(=O)Cn1cnnn1)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 1296649039 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RKLGJALLNBSRLM-UHFFFAOYSA-N 329.400 0.789 10 10 ECCE COc1cc(C(=O)N[C@H](C)CNC(=O)[C@H]2CCCO2)cc(OC)n1 1284195639 XMZPQNVIRIUOPJ-ZYHUDNBSSA-N 337.376 0.512 10 10 ECCE COc1ccc(O)c([C@H](C)NC(=O)C2(CS(C)(=O)=O)COC2)c1 1630372515 JXNJTQUXZVISLP-JTQLQIEISA-N 343.401 0.639 10 10 ECCE COCCO[C@H]1COCC[C@H]1NC(=O)Cc1ccc(O)c(O)c1 1567753328 LTLNXRUUDWYSLP-DOMZBBRYSA-N 325.361 0.577 10 10 ECCE Cn1ncc(C2OCCO2)c1S(=O)(=O)Nc1ccc(O)cc1 2087720677 QBNQUSSBVCBCOP-UHFFFAOYSA-N 325.346 0.972 10 10 ECCE COc1ccc(Br)c(CN[C@H]2CC(=O)NC2=O)c1O 2227747496 AXMOLCNFDUPQTF-QMMMGPOBSA-N 329.150 0.668 10 10 ECCE CNCc1ccc(N2C[C@H](O)[C@H](O)[C@@H](CO)C2)cc1Br 2289399520 AGBMELKGOQLTMF-DDTOSNHZSA-N 345.237 0.319 10 10 ECCE CN(C)c1ccc(O[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)C2)nn1 238813739 AYEAJJLPGFGBBO-LLVKDONJSA-N 345.359 0.642 10 10 ECCE COC(OC)[C@H](C)NC(=O)c1cc(NS(C)(=O)=O)ccc1O 293874693 JGNWBWMYINSGTO-QMMMGPOBSA-N 332.378 0.501 10 10 ECCE C[C@@H]1CNCC[C@@H]1NC(=O)C(=O)NCc1ccc2c(c1)CCCN2C 842149799 FVKGEXVQKWTJPT-CJNGLKHVSA-N 344.459 0.799 10 10 ECCE CN(Cc1ccc(N(C)C)cc1)C(=O)CN1C[C@H]2C(=O)OC[C@H]2C1 860156877 IYPGEFPOWIZWOY-GDBMZVCRSA-N 331.416 0.816 10 10 ECCE O=C(C(=O)N1C[C@@H]2[C@H]3CC[C@@H](NC3)[C@H]2C1)N1Cc2cccc(O)c2C1 1332115631 HEUQYYMJRXUCHW-RUAUBTSSSA-N 341.411 0.691 10 10 ECCE CC(=O)c1cc(Cl)cc(CN2C[C@@H](C(N)=O)[C@@H](C(N)=O)C2)c1O 1460435268 QGLGWLCDQGOPBH-TXEJJXNPSA-N 339.779 0.267 10 10 ECCE Nc1n[nH]c(CNC(=O)NCc2cccc(Br)c2O)n1 1471103137 XCEPNYJPWHVVNB-UHFFFAOYSA-N 341.169 0.854 10 10 ECCE C[C@@H](CN[C@H]1CCNC1=O)NC(=O)c1ccc(N=NC(N)=O)cc1 1569100539 ZVBHHIVQHFIYDC-CABZTGNLSA-N 332.364 0.445 10 10 ECCE O=C(CN1C(=O)[C@H]2CC=CC[C@H]2C1=O)NCc1ccc(O)cc1O 1643103611 BTNGDISBTNHLHY-BETUJISGSA-N 330.340 0.665 10 10 ECCE COc1cccc(CNC(=O)c2nnn(-c3cnn(C)c3)c2C)c1O 1595799901 ISRIAUWRDXURRR-UHFFFAOYSA-N 342.359 0.953 10 10 ECCE CCS(=O)(=O)N1CCC[C@H](C(=O)NCc2cc(O)ccc2O)C1 1593873567 RTBBZOOTDUUMPL-NSHDSACASA-N 342.417 0.776 10 10 ECCE CNS(=O)(=O)CCCN(C)Cc1ccc(N2CCOCC2)cc1 116345762 UAWNTYIGPJMUMZ-UHFFFAOYSA-N 341.477 0.894 10 10 ECCE COc1ccc(N2CCN(C(=O)CN3C[C@H]4CNC[C@@H]4C3)CC2)cc1 916739653 FBNHPHZZWFSXTH-HZPDHXFCSA-N 344.459 0.495 10 10 ECCE COc1ccc(O)c(CNC(=O)C(=O)Nc2cnc(N(C)C)nc2)c1 752393597 IEWBJTLCXXPVAI-UHFFFAOYSA-N 345.359 0.512 10 10 ECCE O=C(NCc1c(O)cccc1F)[C@H]1C[C@@H](O)CN1c1ccncn1 928710812 KEDZFNDYAGVILL-ZWNOBZJWSA-N 332.335 0.577 10 10 ECCE O=C1OC[C@]2(CNCc3ccc(N4CCOCC4)cc3)COCCN12 865767429 GXZBLCFHUBQVIO-SFHVURJKSA-N 347.415 0.834 10 10 ECCE CC(=O)C(=O)COC(=O)c1cc(I)nn1C 869847728 VXHWHPPODYHFGE-UHFFFAOYSA-N 336.085 0.340 10 10 ECCE Cc1ccc(O)c(CNC(=O)[C@H](CO)NC(=O)c2cccc(F)n2)c1 1167293428 CPHRYHJNLYUXKW-ZDUSSCGKSA-N 347.346 0.642 10 10 ECCE Cc1nocc1CNC(=O)c1cc(NS(C)(=O)=O)ccc1O 1450315796 CCBHRGINABEMCT-UHFFFAOYSA-N 325.346 0.990 10 10 ECCE CNS(=O)(=O)[C@H]1CCCN(C(=O)Cc2ccc(O)c(O)c2)C1 1465084318 DPEKXKOSHDOCEO-NSHDSACASA-N 328.390 0.181 10 10 ECCE O=C(CS[C@H]1CCS(=O)(=O)C1)NCc1c(O)cccc1O 1472061456 QHYQEDSMLGFAFT-VIFPVBQESA-N 331.415 0.634 10 10 ECCE COc1ccc(CNC[C@@H](O)CNC(=O)[C@@H](C)n2cncn2)cc1C 1732636635 BMGPPYZIWNAWHB-UKRRQHHQSA-N 347.419 0.423 10 10 ECCE NCc1ccc(N2CCOC[C@@H]2[C@H](O)CO)c(F)c1Br 2146328741 IOMRZLGLIKSBPF-GHMZBOCLSA-N 349.200 0.605 10 10 ECCE C[C@@H](O)c1ccc(N2CC3(C2)OC[C@H](O)[C@H]3O)c(Br)c1 2183638052 FHUKYMHJSBBSBP-OXHMUOHRSA-N 344.205 0.813 10 10 ECCE CC(C)(C)OC(=O)N[C@H](COc1nnc(=N)[nH]n1)c1cscn1 2210646399 ZYDUIJPONWBALD-SSDOTTSWSA-N 339.381 0.780 10 10 ECCE COc1ccc(Br)c(CN[C@H]2CN(C)C[C@@H]2O)c1O 2227748417 OGZHRKKAKQNXJS-QWRGUYRKSA-N 331.210 0.928 10 10 ECCE Cc1ccc(CNC(=O)CC2(O)CNC2)c(O)c1Br 2352638594 QWUJRKODPJTGBW-UHFFFAOYSA-N 329.194 0.804 10 10 ECCE CN(Cc1ccccc1O)C(=O)C(=O)N1CCC[C@@]2(CCNC2)C1 1261424171 OZCXCZJISBDLKY-SFHVURJKSA-N 331.416 0.953 10 10 ECCE COC(=O)[C@H]1CS(=O)(=O)CCN1Cc1cccc(OC)c1O 276731790 HJDNXJBZZUIZIR-LLVKDONJSA-N 329.374 0.173 10 10 ECCE COc1cccc(CN2CCCN(S(=O)(=O)N(C)C)CC2)c1O 367975072 VOMBRPCOOMXJAT-UHFFFAOYSA-N 343.449 0.715 10 10 ECCE C[C@H](Cn1cncn1)NC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 803921774 RCDKNDWHNSTUMB-CHWSQXEVSA-N 344.419 0.726 10 10 ECCE Cc1ccc2c(n1)OCCN2C(=O)/C=C\c1cn(C)c(=O)n(C)c1=O 492333951 ALMHXMIWBUXQEL-ALCCZGGFSA-N 342.355 0.226 10 10 ECCE CC(=O)N1CCN(C(=O)[C@H](C)N2CCCc3cc(CN)ccc32)CC1 843349669 IBIUJXJGZRDZQQ-AWEZNQCLSA-N 344.459 0.977 10 10 ECCE COc1ccc(N2CC[C@@H](NC(=O)C(=O)NC[C@@H](N)C3CC3)C2)cc1 851687957 MNQFNLUXCCAZLW-CZUORRHYSA-N 346.431 0.244 10 10 ECCE CC(=O)N1C[C@H]2CN(Cc3ccccc3O)CCN2[C@@](C)(CO)C1 1615258217 BYGYPBMKUWFKPT-SJLPKXTDSA-N 333.432 0.492 10 10 ECCE COc1ccc(CN[C@H]2C[C@@H](NC(=O)[C@H](C)NC(N)=O)C2)cc1C 1713190160 WUFINMFUYCDHIS-FPMFFAJLSA-N 334.420 0.797 10 10 ECCE Cc1cccc(=O)n1C[C@@](C)(O)C(=O)NCc1ccc(O)cc1O 1557085590 QGXULBYCJDLNQO-QGZVFWFLSA-N 332.356 0.635 10 10 ECCE COc1ccc(CNC[C@H](C)NC(=O)CN2CCOCC2)cc1C 1716434183 OGENWMAASJZZNX-HNNXBMFYSA-N 335.448 0.930 10 10 ECCE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Cc1ccc(C(N)=O)nc1 1633818071 DIYNVHWKFKHXHQ-JTQLQIEISA-N 329.356 0.882 10 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CCS(=O)(=O)N1CCC[C@@H](C(=O)NCc2c(O)cccc2O)C1 1558533622 IUNIDBQQHCBUQO-LLVKDONJSA-N 342.417 0.776 10 10 ECCE COc1ccc(CN[C@@H](C)CNC(=O)c2c[nH]c(=O)cn2)cc1C 1491567415 UKMDPMQEHIQWKJ-LBPRGKRZSA-N 330.388 0.995 10 10 ECCE COc1ccc(CN[C@H](CO)CNC(=O)c2ccnnc2C)cc1C 1725535816 MCLITULUHZLHTK-HNNXBMFYSA-N 344.415 0.983 10 10 ECCE CCOC(=O)CN(Cc1ccccc1O)C(=O)Cn1nccc1N 1570514597 IKAGWFUCHSJFPZ-UHFFFAOYSA-N 332.360 0.763 10 10 ECCE Nc1ccc(-n2nnc(C(=O)NCc3ccc(C(=O)O)cc3)n2)cc1 1857878482 DHXJPBLFXYPNJS-UHFFFAOYSA-N 338.327 0.873 10 10 ECCE O=S1(=O)CC[C@@H](CNCc2cc(Br)ccc2O)N1 1967798560 TVDBTBOZONTJHQ-JTQLQIEISA-N 335.223 0.936 10 10 ECCE CC(C)(C)OC(=O)NC1(C(N)=O)CN(CCc2ccc(N)cc2)C1 2001287379 RTRAIKMPPYVZIR-UHFFFAOYSA-N 334.420 0.876 10 10 ECCE COc1ccc(N2CC[C@@H](NC(=O)N3CCNC(=O)[C@@H]3C)C2)cc1 854301242 LSQDTIBZLFMBBR-QWHCGFSZSA-N 332.404 0.804 10 10 ECCE COc1ccc(N2CC[C@@H](NC(=O)C(=O)Nc3ccn(C)n3)C2)cc1 850536984 LLYBMHBJJLDYRY-GFCCVEGCSA-N 343.387 0.762 10 10 ECCE 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CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCCCn1ccnn1 806997239 AYKNHXNRLICHFC-UHFFFAOYSA-N 344.419 0.509 10 10 ECCE C[C@H](CC(=O)NCc1ccc(N2CCN(C)CC2)cc1)NC(N)=O 918838902 MUZSMDYQPJZJGF-CYBMUJFWSA-N 333.436 0.502 10 10 ECCE CN(CC(=O)N1CCCC1)c1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 761871208 KTHZUZWOSQNZBW-UHFFFAOYSA-N 334.332 0.984 10 10 ECCE COC(=O)[C@@H]1C[C@@H]1CNC(=O)C(=O)NCc1ccc(N(C)C)cc1C 1119523156 NEQSJLRHBKVHES-UKRRQHHQSA-N 347.415 0.603 10 10 ECCE CC[S@@](=O)CCNC(=O)C(=O)NCc1ccc(N(C)C)cc1 785423244 UJAWGTJBOYMMJZ-JOCHJYFZSA-N 325.434 0.254 10 10 ECCE O=C(c1cccc(O)c1O)N1CCN(C(=O)N2CCOCC2)CC1 1623965126 KHGSHRAMVOWFGV-UHFFFAOYSA-N 335.360 0.308 10 10 ECCE NS(=O)(=O)c1ccsc1C(=O)NCc1ccc(O)c(O)c1 1631433423 AWONDDWCZNSULW-UHFFFAOYSA-N 328.371 0.737 10 10 ECCE C[C@H](C(=O)N(C)CC(=O)NCc1cc(O)ccc1O)n1cccn1 1651222590 KFOFOFBXXWGZLK-LLVKDONJSA-N 332.360 0.630 10 10 ECCE COc1ccc(CNC/C=C\CNC(=O)c2nnn(C)n2)cc1C 1668984626 UVQHINSRMMWMJX-PLNGDYQASA-N 330.392 0.603 10 10 ECCE 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10 10 ECCE CCNCc1ccc(N2C[C@@H](O)[C@@H](O)[C@H]2CO)cc1Br 2357916354 VWUBSZKUDQSHKJ-MCIONIFRSA-N 345.237 0.461 10 10 ECCE COc1cccc(CN2CCO[C@]3(CCS(=O)(=O)C3)C2)c1O 843426000 MDFCRUAKHHTJBT-OAHLLOKOSA-N 327.402 0.790 10 10 ECCE COc1ccc(N2CC[C@H](NS(=O)(=O)N3CCNCC3)C2)cc1 923657112 MUTDBNAJMPJBLO-ZDUSSCGKSA-N 340.449 0.014 10 10 ECCE CN1CCN(CCCS(=O)(=O)N2Cc3cccc(O)c3C2)CC1 867690553 IHIXYNHOJPMRAQ-UHFFFAOYSA-N 339.461 0.675 10 10 ECCE CN1CCN(c2ccc(CN3CC[C@@H](NC(N)=O)C3)cc2F)CC1 1319729192 MKCFCIDYXIXCAP-CQSZACIVSA-N 335.427 0.820 10 10 ECCE COC(=O)C[C@@H]1CN(C(=O)C(=O)N2Cc3cccc(O)c3C2)CCO1 1348605969 HNIDQZZERKUBSL-GFCCVEGCSA-N 348.355 0.025 10 10 ECCE CNS(=O)(=O)[C@@H]1CCCN(C(=O)Cc2ccc(O)c(O)c2)C1 1465084317 DPEKXKOSHDOCEO-LLVKDONJSA-N 328.390 0.181 10 10 ECCE C[C@@]1(C[C@@H]2CCCN2C(=O)Cc2ccc(O)c(O)c2)NC(=O)NC1=O 1568912408 VHLANVLVWWTXCN-GTNSWQLSSA-N 347.371 0.620 10 10 ECCE NCc1cc(F)c(N2CCOC[C@@H]2[C@H](O)CO)cc1Br 2146330156 VOOGHVDTLCMBMO-CHWSQXEVSA-N 349.200 0.605 10 10 ECCE 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336.348 0.430 10 10 ECCE CC(=O)C(=O)COC(=O)CC[C@@H]1NC(=O)N(c2cccc(C)c2)C1=O 808516037 WJLGHYITSOKQFD-ZDUSSCGKSA-N 346.339 0.901 10 10 ECCE CN(C)c1ccc(CNC(=O)C(=O)N2CCc3nccnc3C2)cc1 826706843 NKSJVWLQZIVSDU-UHFFFAOYSA-N 339.399 0.744 10 10 ECCE Cn1c(S)nnc1CCNC(=O)NCc1c(O)cccc1F 923214155 NWUZVWURCRUAIQ-UHFFFAOYSA-N 325.369 0.990 10 10 ECCE CN(Cc1ccccc1O)C(=O)C(=O)N1C[C@H](O)CC(F)(F)C1 1325457173 CWBNHULTGGPCBL-LLVKDONJSA-N 328.315 0.579 10 10 ECCE NS(=O)(=O)c1ccc(C(=O)NCc2ccc(O)cc2O)c(F)c1 1299573194 IALWRWMRGSYVFE-UHFFFAOYSA-N 340.332 0.814 10 10 ECCE C[C@H](O)c1ccc(N2C[C@H](O)[C@H](O)[C@@H]2CO)cc1Br 2136282647 CKXBWUZWUJINIY-GIMBAOAISA-N 332.194 0.405 10 10 ECCE CS(=O)(=O)N[C@@H]1CCCC[C@H]1NC(=O)Cc1ccc(O)c(O)c1 1629660960 RBMJZKRYQCBDAF-VXGBXAGGSA-N 342.417 0.617 10 10 ECCE COc1ccc(CN[C@H](CO)CNC(=O)c2cc[n+]([O-])cc2)cc1C 1725532167 OIQAUAZYFWRQNG-INIZCTEOSA-N 345.399 0.518 10 10 ECCE CCN1C(=O)[C@@H]2CN(C(=O)Cc3ccc(O)c(O)c3)CCN2C1=O 1635249176 CDWBCWDULLVUDH-NSHDSACASA-N 333.344 0.135 10 10 ECCE COc1ccc(CNC[C@H](C)NC(=O)CN2CCOCC2=O)cc1C 1732999701 XBTCCLBHXMVDHB-AWEZNQCLSA-N 349.431 0.457 10 10 ECCE CC(C)(C)OC(=O)NC[C@@]1(COc2nnc(=N)[nH]n2)CCCO1 2210648413 BIMIVLHIBACJMU-CYBMUJFWSA-N 326.357 0.132 10 10 ECCE CC(C)(C)OC(=O)NCC(CO)(CO)NCc1cc(F)ccc1O 2247103902 OLRLQRRAXDRXCM-UHFFFAOYSA-N 344.383 0.869 10 10 ECCE CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)NCc2c(O)cccc2F)O1 921795806 BXQUOIGNMHPQSW-HZMBPMFUSA-N 339.367 0.966 10 10 ECCE Cc1cc(N(C)C)ccc1CNS(=O)(=O)C[C@H]1CN(C)CCO1 866796380 DPWLRARYJXZIAU-MRXNPFEDSA-N 341.477 0.811 10 10 ECCE O=C1O[C@H]2CNC[C@H]2N1[C@@H]1CCN(Cc2cc3c(cc2O)OCO3)C1 872255277 UHIVBNRQXQIXAO-HSMVNMDESA-N 347.371 0.488 10 10 ECCE CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCc3ncncc3C2)c1 1153217756 ZHPKYPBNIPSENV-UHFFFAOYSA-N 348.384 0.752 10 10 ECCE COc1cc(C(=O)N[C@H](C)CNC(=O)CCN(C)C)cc(OC)n1 1354696492 ZTAWMIOQMPQXDS-LLVKDONJSA-N 338.408 0.285 10 10 ECCE COc1ccc(CN[C@H](CO)CNC(=O)c2[nH]c(O)nc2C)cc1C 1283772685 RVYKIPPUQLKWBT-ZDUSSCGKSA-N 348.403 0.621 10 10 ECCE COc1ccc(CNC[C@@H](O)CN(C)C(=O)Cc2cc[nH]n2)cc1C 1571575985 IORQPISBYXYYJA-MRXNPFEDSA-N 346.431 0.878 10 10 ECCE O=C1NC(=O)N2CCN(c3ccc(CO)c(Br)c3)C[C@H]12 2171305596 TUCPYBUKBMTNSW-LLVKDONJSA-N 340.177 0.682 10 10 ECCE O=C1Nc2cc(N3CC(O)(CCO)C3)c(Br)cc2[C@H]1O 2286174686 UWIKGPJAUAZVBB-LLVKDONJSA-N 343.177 0.368 10 10 ECCE O=C1NC(=S)N(C2CCCCC2)C(=O)C1=CNN1CCOCC1 2296926348 HNVLCFOMUOAXBJ-UHFFFAOYSA-N 338.433 0.283 10 10 ECCE COc1ccc(N2CCN(C)CC2)cc1NC(=O)[C@@H]1CCC(=O)N1 74586700 TZPACHXZOFSVSD-ZDUSSCGKSA-N 332.404 0.664 10 10 ECCE O=C1NC[C@@H]2CN(Cc3c(O)ccc4ccccc34)CCN2C1=O 91866120 RXYHSSVYUHQKHF-CYBMUJFWSA-N 325.368 0.688 10 10 ECCE CCOc1ccc(O)c(CNC2CN(S(=O)(=O)N(C)C)C2)c1 858311340 FVOMKPYAVUVYKT-UHFFFAOYSA-N 329.422 0.371 10 10 ECCE CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)Cc2ccc(O)c(O)c2)C1=O 1294367972 SXZLANRIMKJYTN-GTNSWQLSSA-N 347.371 0.477 10 10 ECCE CCS(=O)(=O)N(C)CC(=O)NCc1ccc(N(C)C)cc1C 1530833744 UAWYWVKEOXYMLV-UHFFFAOYSA-N 327.450 0.959 10 10 ECCE NC(=O)C1CCN(c2ccc(CNC(=O)Cc3cc[nH]n3)cc2)CC1 1652068293 LIFCZBWDLIYDQO-UHFFFAOYSA-N 341.415 0.970 10 10 ECCE CNC(=O)[C@H]1COCCN1c1ccc(CN)c(Br)c1F 231840585 CNUGFJYUQZWOFK-SNVBAGLBSA-N 346.200 0.998 10 10 ECCE C[C@H](N)c1ccc(N2CC3(C2)OC[C@@H](O)[C@@H]3O)cc1Br 2183626987 MYHGZPGJSZPKKR-CKLFPEKLSA-N 343.221 0.780 10 10 ECCE CC(C)(C)OC(=O)N[C@H](Cc1ccc(O)c(O)c1)[C@@H](O)C(=O)O 1951703995 XSHWOKFASCGCDE-BXKDBHETSA-N 327.333 0.979 10 10 ECCE C[C@@H]1CN(C(=O)c2ccccc2SCC(N)=O)CCS1(=O)=O 737880813 OTQVBURXTXMGRA-SNVBAGLBSA-N 342.442 0.523 10 10 ECCE CN(OCC(F)(F)F)C(=O)CNC(=O)c1c(F)ccc(O)c1O 857424641 DQJBKWMCVJEROT-UHFFFAOYSA-N 340.229 0.919 10 10 ECCE COc1ccc(N2CC[C@H](NC(=O)C(=O)Nc3cnn(C)c3)C2)cc1 850536297 DZCMQVMEZCSMSO-LBPRGKRZSA-N 343.387 0.762 10 10 ECCE COc1ccc(N2CC[C@H](NC(=O)N(C)CCOCCO)C2)cc1 854298199 YAJBGRXVUWWWFM-AWEZNQCLSA-N 337.420 0.924 10 10 ECCE COc1ccc(N2CCN(CCNC(=O)[C@H]3CCC(=O)O3)CC2)cc1 865033744 KNMRKATWXRJVPH-MRXNPFEDSA-N 347.415 0.639 10 10 ECCE C[C@H](NC(=O)CCc1nn[nH]n1)c1ccc(N2CCOCC2)cc1 865018799 NWEBPYRRSHCKAT-LBPRGKRZSA-N 330.392 0.846 10 10 ECCE CC(C)n1cnc(NC(=O)C(=O)NCCc2ccc(O)c(O)c2)n1 1328692981 JIAXPSRIRADDON-UHFFFAOYSA-N 333.348 0.568 10 10 ECCE COc1ccc(CNC[C@@H](O)CNC(=O)c2cc[n+]([O-])cc2)cc1C 1272360109 AKMUIMDDHVEYJX-MRXNPFEDSA-N 345.399 0.518 10 10 ECCE C[C@H](NC(=O)NCCNS(=O)(=O)N(C)C)c1ccccc1O 1478682427 AIFCTAITPJPJBZ-JTQLQIEISA-N 330.410 0.148 10 10 ECCE O=C(NCc1cccc(Cl)c1O)c1cnn(C[C@H](O)CO)c1 1472317143 XBVXSFKXMFOGEJ-NSHDSACASA-N 325.752 0.525 10 10 ECCE COc1ccc(CN[C@H](CO)CNC(=O)Cn2cc(C)cn2)cc1C 1485979572 JUCJHQBJZYCKMK-INIZCTEOSA-N 346.431 0.775 10 10 ECCE CCOC(=O)CC(C)(C)CC(=O)C(=O)Cn1[nH]cc2c(=O)ncnc1-2 1627026397 HBAJHIFBENBPIG-UHFFFAOYSA-N 348.359 0.579 10 10 ECCE O=C(CN1C(=O)[C@H]2CC=CC[C@H]2C1=O)NCc1cc(O)ccc1O 1633599257 VJORLPMLSMDZGE-BETUJISGSA-N 330.340 0.665 10 10 ECCE O=C(CN1C(=O)[C@H]2CCCC[C@H]2C1=O)NCc1c(O)cccc1O 1647178567 REBNBFBZXFOAML-PHIMTYICSA-N 332.356 0.889 10 10 ECCE CCCc1nnc(SCC(=O)NCc2c(O)cccc2O)n1N 1647290008 MLEFVBFBVOSVSY-UHFFFAOYSA-N 337.405 0.764 10 10 ECCE COc1ccc(Br)c(CNCCn2ncnn2)c1O 2227752384 VPTXCWIOLFWVTI-UHFFFAOYSA-N 328.170 0.940 10 10 ECCE Cn1nnc(Br)c1S(=O)(=O)NCCCCN=[N+]=[N-] 231733290 QQPLBGBWAAKJLZ-UHFFFAOYSA-N 338.191 0.946 10 10 ECCE O=C(NCCCNC(=O)c1cc(O)c(O)c(O)c1)c1cccnc1 219922627 KFLJIRFJXKHIPL-UHFFFAOYSA-N 331.328 0.748 10 10 ECCE COCCN(CCOC)S(=O)(=O)Nc1ccc(O)cc1C(=O)O 274876281 BQVBPTSDFPOUIL-UHFFFAOYSA-N 348.377 0.342 10 10 ECCE CN1CCC[C@@H](NC(=O)C(=O)NCCCSc2nccs2)C1 806282286 JTJFKOOSFIKXBK-LLVKDONJSA-N 342.490 0.952 10 10 ECCE COc1ccc(N2CCN(CCNC(=O)[C@@H]3[C@H]4COC[C@H]43)CC2)cc1 824285212 BIPXJZZDWKDFES-PIIMJCKOSA-N 345.443 0.826 10 10 ECCE CCN(CC)c1ccc(CNS(=O)(=O)[C@@H]2COC[C@H]2O)cc1 913941121 PMPZTBQMMQXAKX-HUUCEWRRSA-N 328.434 0.712 10 10 ECCE NC(=O)CN(Cc1ccc(N2CCOCC2)cc1)C1CCOCC1 931694552 PKCUZZQWAFBALE-UHFFFAOYSA-N 333.432 0.990 10 10 ECCE COc1cccc(O)c1CN1CC[C@@H](N2C(=O)O[C@H]3CNC[C@H]32)C1 872255216 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CC=C[C@H](O)C(=O)NCc1ccc(N2CCN(C(C)=O)CC2)cc1 2053313215 OFZIISVQBIRQLI-KRWDZBQOSA-N 331.416 0.908 10 10 ECCE CC[C@H]1C(=O)N(CC)CCN1C(=O)c1cnn2c(O)cc(C)nc12 2062634947 SZTIMPZWIFKCKX-LBPRGKRZSA-N 331.376 0.826 10 10 ECCE C[C@@H](O)c1ccc(N2C[C@@H](O)[C@@H](O)[C@H]2CO)cc1Br 2332914990 CKXBWUZWUJINIY-YAUNCSCZSA-N 332.194 0.405 10 10 ECCE CC(=O)C(=O)COC(=O)Cn1cnc2c(oc3ccccc32)c1=O 808497664 UIUCFHDFLUNCPO-UHFFFAOYSA-N 328.280 0.844 10 10 ECCE COc1ccc(N2CC[C@H](NC(=O)N3CCOC[C@H]3CO)C2)cc1 923182483 GDQSNVNBJGRIDF-DZGCQCFKSA-N 335.404 0.677 10 10 ECCE COc1ccc(N(CC(=O)O)CC(=O)NCc2cnn(C)n2)cc1 853008087 JGCCGEQYBPBBSZ-UHFFFAOYSA-N 333.348 0.031 10 10 ECCE COc1ccc(O)c([C@H](C)NC(=O)CN2C(=O)NC(C)(C)C2=O)c1 761968989 WUEPYIOQXPXECW-VIFPVBQESA-N 335.360 0.908 10 10 ECCE O=C(NCc1cccc(Br)c1O)C1CS(=O)(=O)C1 867831164 QPCJRTDFSKQORT-UHFFFAOYSA-N 334.191 0.816 10 10 ECCE COC(=O)C1=CC[C@@H](NC(=O)C(=O)NCCc2ccc(N)cc2)C1 1118867365 QRDKJXWOMMPLNI-CQSZACIVSA-N 331.372 0.306 10 10 ECCE COc1ccc(N2CCN(C(=O)[C@@H]3CN(C)C(=O)N3)CC2)c(OC)c1 870165882 CGGSONOYEBFAHP-ZDUSSCGKSA-N 348.403 0.376 10 10 ECCE CC(C)NS(=O)(=O)NCCNC(=O)N[C@H](C)c1ccccc1O 1312491308 RAMZCCGZBNLEAU-LLVKDONJSA-N 344.437 0.585 10 10 ECCE CCOC(=O)CC(C)(C)CC(=O)C(=O)CC[C@@H]1NC(=O)NC1=O 1297562108 BKNFKDQFWLNWKC-VIFPVBQESA-N 326.349 0.482 10 10 ECCE CCOC(=O)c1cnn2c(O)cc(CN3C[C@H]4CC[C@@H](O)[C@H]4C3)nc12 1460772460 INYIMAKBTSYTIX-DDTOSNHZSA-N 346.387 0.814 10 10 ECCE Oc1ccccc1CN[C@@H]1[C@H]2CO[C@@H](O2)[C@@H](N2CCCCC2)[C@H]1O 1616154435 RTDMFQKCLDHULZ-ZBRFXRBCSA-N 334.416 0.821 10 10 ECCE COC[C@@H](O)CNC[C@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 1716466779 YMJRWJBUCKOOMQ-GWCFXTLKSA-N 337.380 0.564 10 10 ECCE O=C1Nc2cc(N3C[C@@H](O)C[C@@H](O)C3)c(Br)cc2[C@@H]1O 2161392526 AMCKKAZXGBJCMQ-KJNMHVQDSA-N 343.177 0.367 10 10 ECCE CCCCN1C(=O)NC(=O)C(=CNNCCN(CC)CC)C1=O 2296925586 OSRINXXLJALAMX-UHFFFAOYSA-N 325.413 0.185 10 10 ECCE OCc1nnn2c1CN(Cc1ccc(N3CCOCC3)cc1)CC2 813333445 PHHVESJDMIUNKW-UHFFFAOYSA-N 329.404 0.623 10 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O=C(NCc1ccc(N2CCOCC2)cc1)[C@H](O)C1CCOCC1 735877881 DDADABFSAAJOCZ-QGZVFWFLSA-N 334.416 0.927 10 10 ECCE C/C=C/[C@@H](O)C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 924254250 XHOXYVDQUNLUEU-WOMSROEHSA-N 331.416 0.942 10 10 ECCE COC(=O)Cn1ccc(NS(=O)(=O)c2cc(F)cc(F)c2O)n1 753015345 MBVVGGSYDQAYMV-UHFFFAOYSA-N 347.299 0.841 10 10 ECCE COc1ccc(CN[C@H](CO)CNC(=O)[C@@H]2CCC(=O)N2C)cc1C 1283793273 TYDPYPIUQNQPSO-GJZGRUSLSA-N 349.431 0.191 10 10 ECCE CON(C)C[C@@H](O)Cn1cc(NC(=O)c2cc(O)cs2)cn1 1466113904 LSMHPTDKXVZWGY-LLVKDONJSA-N 326.378 0.757 10 10 ECCE O=C(CCc1nn[nH]n1)NCc1ccc(N2CCC(O)CC2)cc1 1633792949 CAXCCSCCJJTIII-UHFFFAOYSA-N 330.392 0.410 10 10 ECCE COC(=O)/C=C/c1ccc(N(C)CCS(N)(=O)=O)c([N+](=O)[O-])c1 1655818207 UOEGKHAQQKPWMA-GQCTYLIASA-N 343.361 0.506 10 10 ECCE CN1NC(=O)[C@H](CC(=O)Nc2cccc(Br)c2)C1=O 169996248 XYJBKJZQDKPAAS-VIFPVBQESA-N 326.150 0.897 10 10 ECCE CC(=O)N1CC(NC(=O)/C=C/c2ccc(N3CCOCC3)cc2)C1 173230010 LWOLCQHIAKKVGS-QPJJXVBHSA-N 329.400 0.883 10 10 ECCE COc1cc(Br)cc([C@H]2NC(=O)[C@H]3COCCN23)c1O 93883173 ZSDDHOSDUQGVOX-SKDRFNHKSA-N 343.177 0.993 10 10 ECCE CO[C@@H]1C=C[C@](CNC(=O)c2ccc(-n3ccnc3C)nn2)(OC)O1 585231189 PSUXOJMEQYXGJH-HOCLYGCPSA-N 345.359 0.602 10 10 ECCE CCON(CC)C(=O)CN1C(=O)CN(Cc2ccccc2O)C1=O 863520614 QBZZJCAADNKCDY-UHFFFAOYSA-N 335.360 0.956 10 10 ECCE C[C@H](NC(=O)N[C@@H]1CCN(S(C)(=O)=O)C1)c1ccccc1O 868743894 NIGQWUGBVFZCMS-WDEREUQCSA-N 327.406 0.786 10 10 ECCE COc1ccc(CN[C@H](CO)CNC(=O)[C@@]2(C)CCNC2=O)cc1C 1507232585 MIGKCKQRIRLISI-KSSFIOAISA-N 349.431 0.097 10 10 ECCE Cc1cc(N(C)C)ccc1CNC(=O)C1(CS(C)(=O)=O)COC1 1351213540 QURXWOGEUSRIGG-UHFFFAOYSA-N 340.445 0.738 10 10 ECCE NS(=O)(=O)CCCC(=O)NCc1c(O)ccc2c1CCCC2 1445901095 LRRLISMNTJKXHL-UHFFFAOYSA-N 326.418 0.956 10 10 ECCE CC1=NS(=O)(=O)N(C)C=C1C(=O)NCc1c(O)cccc1F 1638867040 ZFJBNMZKLHFNKV-UHFFFAOYSA-N 327.337 0.683 10 10 ECCE COc1ccc(CN[C@H](CO)CNC(=O)Cn2ccnc2)cc1C 1734385331 IPVLAIMWSVGONJ-HNNXBMFYSA-N 332.404 0.467 10 10 ECCE CN1C(=O)C(=CNC[C@H](c2ccccc2)N(C)C)C(=O)N(C)C1=O 28976031 ASYRBMWPBAMLKT-CQSZACIVSA-N 330.388 0.813 10 10 ECCE O=C(O)[C@H]1[C@H](O)[C@H](O)CN1Cc1cc(Br)ccc1O 2332873120 ZEINJMLYHWSKKI-GMTAPVOTSA-N 332.150 0.145 10 10 ECCE COCCOC(=O)c1c(C)[nH]c(C(=O)OCC(=O)C(C)=O)c1C 808504304 ADNVDIWSAOBIHB-UHFFFAOYSA-N 325.317 0.750 10 10 ECCE Cn1cc(/C=C/C(=O)N2C[C@@H](CO)c3ccccc32)c(=O)n(C)c1=O 293789223 BYKRHMUPMQJAAC-GWJCSSMESA-N 341.367 0.220 10 10 ECCE CNC(=O)[C@H]1CCN(C(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)C1 817761154 IUGRLNXGCSEQJK-AWEZNQCLSA-N 346.431 0.306 10 10 ECCE CC(=O)N1CCN(c2ccc(CNC(=O)[C@H](O)C(C)(C)O)cc2)CC1 907638506 AAEVMFMTZKUCKG-INIZCTEOSA-N 349.431 0.103 10 10 ECCE CN(C)c1ccc(CNC(=O)C(=O)N2C3CCC2(C(N)=O)CC3)cc1 929236923 GAMQAKZAVHVMRB-UHFFFAOYSA-N 344.415 0.378 10 10 ECCE Cn1cnn(CCC(=O)NCc2ccc3cccnc3c2O)c1=O 862026016 FCQLXETYHXPNQL-UHFFFAOYSA-N 327.344 0.542 10 10 ECCE O=C(NCc1cc(O)ccc1O)[C@@H]1C[C@H](O)CN1c1ccncn1 1153884646 DQYNEOXNRUSYPX-STQMWFEESA-N 330.344 0.144 10 10 ECCE CO[C@@]1(CNC(=O)NCc2ccccc2O)CCS(=O)(=O)C1 1251162525 OKNOIDSLSMABKO-CQSZACIVSA-N 328.390 0.395 10 10 ECCE CN(Cc1ccccc1O)C(=O)C(=O)N1CC[C@@H](Cn2ccnn2)C1 1333362568 AGDFUXPUZZIMLW-CYBMUJFWSA-N 343.387 0.491 10 10 ECCE C[C@@H](NC(=O)CNS(=O)(=O)c1cn(C)cn1)c1ccccc1O 1557966602 JNMSNQWVONCXMB-SNVBAGLBSA-N 338.389 0.281 10 10 ECCE COc1ccc(CNC[C@@H](O)CNC(=O)c2nonc2C)cc1C 1715616339 XLNXLBMKWDEXBK-CYBMUJFWSA-N 334.376 0.576 10 10 ECCE Cn1ccc(N2CCC[C@H](NC(=O)Cc3ccc(O)c(O)c3)C2=O)n1 1634471789 APTKICNNGSMWNO-LBPRGKRZSA-N 344.371 0.686 10 10 ECCE CC(C)(C)OC(=O)N1CCO[C@@H]2[C@@H](C(=O)C(=O)C[C@H]3C[C@H](N)C3)[C@@H]21 2003172948 RREVNWJRIZVKOF-XUWHGSIVSA-N 338.404 0.886 10 10 ECCE CC(C)(C)OC(=O)N1CCN(CC(=O)N2CC(N=[N+]=[N-])C2)C(=O)C1 2010393264 QACXYURORWIGEU-UHFFFAOYSA-N 338.368 0.587 10 10 ECCE CC(C)(C)OC(=O)N1CC(NC(=O)Nc2ccc(N)cc2)(C(N)=O)C1 2044246838 AJRVPHOAWHFRSL-UHFFFAOYSA-N 349.391 0.865 10 10 ECCE COCCNC(=O)[C@H]1CN(c2cc(OC)ncn2)Cc2ncn(C)c21 248072080 XYERLJJYOLUHIL-NSHDSACASA-N 346.391 0.085 10 10 ECCE CSc1ncc(CN[C@](C)(C(=O)O)C2CS(=O)(=O)C2)s1 2378420345 SOPHOYYOJJLJPV-NSHDSACASA-N 336.460 0.843 10 10 ECCE Cc1ncccc1N(C)C(=O)C1=CC=CN2CCS(=O)(=O)N=C12 839399684 SPWGXDGFNPGBHV-UHFFFAOYSA-N 332.385 0.850 10 10 ECCE C[C@@H](CC(=O)NCc1ccc(N2CCC(CO)CC2)cc1)NC(N)=O 847508265 XBEPYJJJLIOPLQ-ZDUSSCGKSA-N 348.447 0.958 10 10 ECCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CNC(=O)c1cccnc1 773743339 CVWKHJHBWADNHH-LLVKDONJSA-N 329.356 0.970 10 10 ECCE CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)NCc1ccc(O)cc1O 1162279207 VWHZSUWIGOGFIN-LBPRGKRZSA-N 330.406 0.678 10 10 ECCE CS(=O)(=O)C[C@H]1CN(C(=O)/C=C\c2ccc(O)c(O)c2)CCO1 1179415363 SXAVCNNNFOAGTJ-KTLBGCOUSA-N 341.385 0.383 10 10 ECCE CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Cn1nccc1N 1628857617 FPYPRKAPEZVFHI-UHFFFAOYSA-N 329.404 0.961 10 10 ECCE Cc1nnc(N2CCNC(=O)C2)n1Cc1ccc2c(c1)CCCN2C 1726412541 WILPSANAFLSLFR-UHFFFAOYSA-N 340.431 0.953 10 10 ECCE O=C1NC[C@@H](Cn2cc(C(=O)NCc3c(O)cccc3F)nn2)O1 1652298457 KWXGDBXGDMBSKE-QMMMGPOBSA-N 335.295 0.161 10 10 ECCE CNC(=O)[C@@H]1COCCN1c1cc(Br)c(CN)cc1F 312571436 JHPJRZVVRZQMGT-LBPRGKRZSA-N 346.200 0.998 10 10 ECCE CN(C)c1ccc(CNCc2nccn2S(=O)(=O)N(C)C)cc1 811472231 AZZRFACDCBKHGU-UHFFFAOYSA-N 337.449 0.893 10 10 ECCE CCCNCCNC(=O)C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 851687389 AAHQNCFHUCMWTN-CQSZACIVSA-N 348.447 0.506 10 10 ECCE Cn1ncc(CNC(=O)NCc2ccc(N3CCC(O)CC3)cc2)n1 852337067 WQNPFQLSMUMUIR-UHFFFAOYSA-N 344.419 0.776 10 10 ECCE Cn1cc(C[C@H](O)C(=O)NCc2ccc(N3CCOCC3)cc2)cn1 786817927 HZQVDULUESOCMS-KRWDZBQOSA-N 344.415 0.477 10 10 ECCE CNC(=O)CN[C@H](C)CN(C)C(=O)c1ccc(N=NC(N)=O)cc1 1485962405 KSZOAPYNFJZQJL-SNVBAGLBSA-N 334.380 0.645 10 10 ECCE CN1NC(=O)[C@@H](CC(=O)Nc2ccc(Br)cc2)C1=O 169996091 VVGBEBCAGJTPNA-SECBINFHSA-N 326.150 0.897 10 10 ECCE CNC(=O)[C@@H]1CNCCN1Cc1c(O)cccc1Br 706830388 UCUYPHDEWPADPC-NSHDSACASA-N 328.210 0.675 10 10 ECCE NC(=O)[C@@H]1CCCN(c2ccc(CN3C(=O)N[C@H](CF)C3=O)cc2)C1 806671772 FERNUZGDSYDXJT-TZMCWYRMSA-N 348.378 0.778 10 10 ECCE CS(=O)(=O)N1CCC(C(=O)NCc2c(O)cccc2F)CC1 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MLAZNUZMJOTDSA-PSJXJDHFSA-N 332.194 0.408 10 10 ECCE O=C1COc2cc([N+](=O)[O-])c(N3CCC(OCCO)CC3)cc2N1 325341918 IXSSCRGWJHQAJJ-UHFFFAOYSA-N 337.332 0.903 10 10 ECCE CCN(CC)c1ccc(C=c2sc3nc(=O)cnn3c2=O)cc1 254701440 MBPLYLCBKQZQIW-UHFFFAOYSA-N 328.397 0.905 10 10 ECCE COc1cccc(OCc2nnc(SCC(=O)C(C)=O)n2N)c1 289767353 VZSORPNGRGNMLT-UHFFFAOYSA-N 336.373 0.830 10 10 ECCE NCC1CCN(C(=O)C(=O)NCCCSc2nccs2)CC1 842091657 FZDGPBRPIGCRMK-UHFFFAOYSA-N 342.490 0.939 10 10 ECCE C[C@H](NC(=O)NC[C@@H](O)CS(C)(=O)=O)c1ccc(N(C)C)cc1 922055279 OTWFVDULQWZWRN-SMDDNHRTSA-N 343.449 0.518 10 10 ECCE Nc1ccc(CCNC(=O)C(=O)N2CCC3=C(CCC(=O)N3)C2)cc1 1327840775 JHCNMSPYNQNAPV-UHFFFAOYSA-N 342.399 0.324 10 10 ECCE O=S1(=O)C[C@H](O)[C@@H](NCc2cc(Cl)cc(Cl)c2O)C1 2121366605 ZJMQAZYWJFTKNM-UWVGGRQHSA-N 326.201 0.947 10 10 ECCE CN(C)c1ccc(CN2CCOC[C@H]2CNS(C)(=O)=O)cc1 1348247096 JCIXNCFAPHOMHU-OAHLLOKOSA-N 327.450 0.503 10 10 ECCE Cn1cc([C@H](NCCN=[N+]=[N-])C(N)=O)c(I)n1 1912146089 PESSKKANRJHYQZ-LURJTMIESA-N 349.136 0.451 10 10 ECCE COc1cc(C(=O)N[C@H](C)CNC(=O)C[C@@H](C)OC)cc(OC)n1 1295437862 UMHFUJDEQXSBJE-GHMZBOCLSA-N 339.392 0.758 10 10 ECCE COc1ccc(-n2nnnc2CN[C@@H](C)CNC(=O)C(C)C)cc1 1491397872 RTGFDZZZYSPHFC-LBPRGKRZSA-N 332.408 0.921 10 10 ECCE Cc1cc(O)n2ncc(C(=O)N3CCN(C[C@H](C)O)C[C@@H]3C)c2n1 2062295495 IGSDLQPSUIPPOQ-RYUDHWBXSA-N 333.392 0.270 10 10 ECCE O=C(O)[C@@]1(O)CCN(Cc2ccc(Br)cc2O)C[C@H]1O 2197460937 GKYNSJNQHNHFDM-DGCLKSJQSA-N 346.177 0.537 10 10 ECCE COCCC1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)C1 819570230 UKVNLLMKKBQIRY-UHFFFAOYSA-N 328.390 0.872 10 10 ECCE Cn1cc(N2CC[C@@H](NC(=O)NCc3c(O)cccc3F)C2=O)cn1 919263603 WRKHFLNXBORNES-CYBMUJFWSA-N 347.350 0.870 10 10 ECCE COc1ccc(N2CC[C@@H](NC(=O)C3(S(N)(=O)=O)CC3)C2)cc1 855227233 UNFBYUZSDVSJOC-LLVKDONJSA-N 339.417 0.211 10 10 ECCE COc1ccc(N2CC[C@@H](NC(=O)NCc3nnn(C)n3)C2)cc1 852284691 RGEPPILESPAERO-LLVKDONJSA-N 331.380 0.297 10 10 ECCE COc1ccc(N2CC[C@H](NC(=O)[C@@H](C)NS(C)(=O)=O)C2)cc1 855229591 BDHXYHQABWNDQX-NEPJUHHUSA-N 341.433 0.328 10 10 ECCE CN(Cc1ccccc1O)C(=O)C(=O)N1C[C@@H]2CCC[C@]2(CO)C1 1261797246 BDHDBGIWCIXNKY-KBXCAEBGSA-N 332.400 0.972 10 10 ECCE CC[C@@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)NCC(=O)NC 1714125099 NMKSHSLCGHUTNJ-NSHDSACASA-N 334.380 0.693 10 10 ECCE COc1ccc(CNC[C@H](O)CNC(=O)C2CCN(C)CC2)cc1C 1732653548 OVLQSMFSMCUYRB-KRWDZBQOSA-N 349.475 0.912 10 10 ECCE Cn1c(Br)nnc1CCNC(=O)c1cccc(O)c1O 2185241439 UKOZBBWVYNIAOD-UHFFFAOYSA-N 341.165 0.961 10 10 ECCE CC(C)(C)OC(=O)N[C@@](C)(COc1nnc(=N)[nH]n1)C(F)(F)F 2210648961 YCYNJPKKFNDHFM-JTQLQIEISA-N 338.290 0.904 10 10 ECCE COC[C@@H]1[C@@H](O)[C@@H](O)CN1c1ccc(CO)cc1Br 2225518818 ODDDDFPSAMINLM-FRRDWIJNSA-N 332.194 0.498 10 10 ECCE O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/Nn1cnnc1 100397202 JHKSNZMTJIUSIQ-BJMVGYQFSA-N 332.707 0.642 10 10 ECCE COc1cc(N2CC[C@H]3OCC(=O)N[C@@H]3C2)c([N+](=O)[O-])cc1OC 373765879 KSNFRWMUGRWRFK-BXKDBHETSA-N 337.332 0.706 10 10 ECCE CC(=O)C(=O)COC(=O)c1cc2c(=O)n3ccccc3nc2n1C 808497326 XTKPUXSEGYXSFJ-UHFFFAOYSA-N 327.296 0.501 10 10 ECCE COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3COC[C@H]3OC)C2)cc1 852392234 NAWAAZJXHQESKK-APHBMKBZSA-N 335.404 0.987 10 10 ECCE O=C(NCc1ccc(N2CCCC2)cc1)C(=O)NCC12CC(CN1)C2 851685710 DSMRPKNAIBSIAF-UHFFFAOYSA-N 342.443 0.771 10 10 ECCE Cn1[nH]nnc1=NCc1ccc(N2CCN(CC3CC3)CC2)cc1 768527537 MBFUDAPIIXUDTH-UHFFFAOYSA-N 327.436 0.776 10 10 ECCE CN1CCO[C@H](CS(=O)(=O)NCc2ccc(N(C)C)cc2)C1 866424110 DWTLVMYJCVICPI-HNNXBMFYSA-N 327.450 0.503 10 10 ECCE COc1ccc(CNC[C@@H](O)CNC(=O)Cn2cc(C)cn2)cc1C 1568549104 LIAJUTCODTZYPE-MRXNPFEDSA-N 346.431 0.775 10 10 ECCE O=C(NCc1c(O)cccc1O)[C@H]1C[C@H](O)CN1c1ccncn1 1645363009 JCPLLFIEVJEOLX-CMPLNLGQSA-N 330.344 0.144 10 10 ECCE Cn1cc(-n2cc(C(=O)NCc3cc(O)ccc3O)ccc2=O)cn1 1651225458 KGNJHKNNPQYAIK-UHFFFAOYSA-N 340.339 0.912 10 10 ECCE COc1ccc(CN[C@H]2C[C@@H](CNC(=O)Cn3ncnn3)C2)cc1C 1656135208 KMTPUOOPCGDCPQ-GASCZTMLSA-N 344.419 0.675 10 10 ECCE Nc1ncn(CC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)n1 1597089938 LCOTUWKGGZKKIF-CYBMUJFWSA-N 331.376 0.774 10 10 ECCE COc1ccc(CNC/C=C/CNC(=O)CS(C)(=O)=O)cc1C 1699254024 ADAQIGRZIJBODC-SNAWJCMRSA-N 340.445 0.810 10 10 ECCE [N-]=[N+]=NCCCCN1C[C@@H](C(N)=O)C[C@@H](NC(=O)C(F)(F)F)C1 2006175602 DZCNSDZMDHIFGH-DTWKUNHWSA-N 336.318 0.931 10 10 ECCE Cc1cc(O)n2ncc(C(=O)N3CCC[C@H]3C(=O)NC3CC3)c2n1 2064540143 QJLCIWRYWCENAS-LBPRGKRZSA-N 329.360 0.627 10 10 ECCE CC(C)(C)OC(=O)NC(CO)(CO)C(=O)N1CC[C@H](CN=[N+]=[N-])C1 2303917073 ZUYWWEMULQQXKA-SNVBAGLBSA-N 343.384 0.393 10 10 ECCE Cn1cnc(CNC(=O)/C=C\c2ccc(N3CCOCC3)cc2)n1 255390322 GVIIJICGERYURB-DAXSKMNVSA-N 327.388 0.981 10 10 ECCE O=C1COc2cc([N+](=O)[O-])c(N3CCO[C@@]4(CCOC4)C3)cc2N1 364910142 QFGMKNULVHQDAH-HNNXBMFYSA-N 335.316 0.921 10 10 ECCE NC(=O)CN1CCN(Cc2cc(Cl)cc(Cl)c2O)CC1=O 839168393 AFSSEEIOEIMNEH-UHFFFAOYSA-N 332.187 0.829 10 10 ECCE COCCN(CCOC)C1CN(C(=O)c2ccc(C)c(O)c2O)C1 911859843 NRXXZCSDEXTCEE-UHFFFAOYSA-N 338.404 0.825 10 10 ECCE O=C(C1=CC=CN2CCS(=O)(=O)N=C12)N1CCCc2cccnc21 847149583 VQWZMZZMECTAPS-UHFFFAOYSA-N 344.396 0.858 10 10 ECCE CO[C@@H]1[C@@H]2C[C@@H]3[C@@H]1N(Cc1cc(O)n4ncc(C(=O)O)c4n1)C[C@@H]3C2 846260995 FJIFDNWWCRFFMX-NOORDTQPSA-N 344.371 0.988 10 10 ECCE COc1cc(C)cc(CN2CCN(S(=O)(=O)N(C)C)CC2)c1O 754727274 UZCXVMMSMCPOEO-UHFFFAOYSA-N 343.449 0.633 10 10 ECCE COc1ccc(CN[C@H](CO)CNC(=O)c2ccc(O)nn2)cc1C 1278040675 BZHOFHLDQVOPFI-ZDUSSCGKSA-N 346.387 0.380 10 10 ECCE CN1CCN(C(=O)C(=O)NCc2ccc(N(C)C)cc2)CCC1=O 1350639785 MIQTXCJOHLILDF-UHFFFAOYSA-N 332.404 0.060 10 10 ECCE O=C(Cc1ccc(O)c(O)c1)NCCS(=O)(=O)CC(F)(F)F 1628739189 JVFWYCZUBKYQFC-UHFFFAOYSA-N 341.307 0.734 10 10 ECCE COc1ccc(CN[C@@H](C)CNC(=O)C(=O)NCC(F)F)cc1C 1713320472 AHZHNMLJWZSQFC-NSHDSACASA-N 343.374 0.979 10 10 ECCE COc1cc(C(=O)N[C@@H](C)CNC(=O)c2cn(C)cn2)cc(OC)n1 1494676086 CKZYPYICRMZQPM-JTQLQIEISA-N 347.375 0.381 10 10 ECCE O=C(NCc1cccc(Cl)c1O)c1nc2ncc(CCO)cn2n1 1558757638 MMXZSQGMIVYWBN-UHFFFAOYSA-N 347.762 0.948 10 10 ECCE COc1ccc(CN[C@H](C)CCNC(=O)[C@H]2CNC(=O)N2)cc1C 1492075449 MRQSURYCROTFTL-TZMCWYRMSA-N 334.420 0.669 10 10 ECCE COc1ccc(CN[C@H](CO)CNC(=O)c2cn(C)c(O)n2)cc1C 1734377459 RYRBXMILQNCSMD-ZDUSSCGKSA-N 348.403 0.323 10 10 ECCE NCc1ccc(N2CCOC[C@@H]2C(N)=O)c(F)c1Br 231840528 KFLZPQMOQUGMGZ-SECBINFHSA-N 332.173 0.737 10 10 ECCE O=C1CN(Cc2cc(Br)ccc2O)[C@H](C(=O)O)CN1 1963614749 NOHXCSSJEAQQOJ-VIFPVBQESA-N 329.150 0.540 10 10 ECCE CSc1ncc(CNS(=O)(=O)c2n[nH]c(C)c2CO)s1 2284541246 JZCHJXCQUJUHSF-UHFFFAOYSA-N 334.448 0.867 10 10 ECCE C[C@H](O)c1ccc(N2C[C@H](O)[C@H](O)[C@H](CO)C2)c(Br)c1 2289358146 OTRZGXDWXMRQAL-UVJIQFMESA-N 346.221 0.653 10 10 ECCE Cc1ccc(C(=O)NCc2ccc(O)cc2O)cc1S(N)(=O)=O 1142530783 TZNPYFLVFUNXBI-UHFFFAOYSA-N 336.369 0.984 10 10 ECCE C[C@@]12CNC[C@]1(C)CN(C(=O)C(=O)N1Cc3cccc(O)c3C1)C2 1332127955 LEKGRLQRXOFLNG-HDICACEKSA-N 329.400 0.692 10 10 ECCE COCCCOC1CN(C(=O)C(=O)NCc2ccc(N(C)C)cc2)C1 1340247249 JTSSJCVHZCTBHH-UHFFFAOYSA-N 349.431 0.633 10 10 ECCE N[C@H]1C[C@@H]2CN(Cc3ccc(Br)cc3O)CCN2C1=O 2173416285 MCXLSMUVOJUEQL-NEPJUHHUSA-N 340.221 0.899 10 10 ECCE O=C(O)CN/C=C1\C(=O)NC(=O)N(c2cccc3ccccc23)C1=O 108459707 VPIRNMIKKPQBNH-XYOKQWHBSA-N 339.307 0.981 10 10 ECCE CC(=O)N(C(=O)C(=O)Nc1ccc(C(N)=O)cc1)c1ccc(N)cc1 170318882 LKQMLLFCPOOJMN-UHFFFAOYSA-N 340.339 0.886 10 10 ECCE CCS(=O)(=O)N(C)CC(=O)N(C)Cc1ccc(N(C)C)cc1 175810322 YBCHRIPLGBYXGG-UHFFFAOYSA-N 327.450 0.993 10 10 ECCE CN(C)c1ccc(CN2CCN(CCS(C)(=O)=O)CC2)cc1 193444347 JJRSSYPSMDWSHB-UHFFFAOYSA-N 325.478 0.915 10 10 ECCE COc1ccc(N2CCN(C(=O)N3CCN(C=O)CC3)CC2)cc1 244212464 VVAJRCFGAINUMD-UHFFFAOYSA-N 332.404 0.711 10 10 ECCE CN[C@H](C)c1ccc(N(CC(N)=O)CC(N)=O)c(Br)c1 723172669 ZVJLYKIFWJYORA-MRVPVSSYSA-N 343.225 0.507 10 10 ECCE Cn1ccnc1C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 741262597 VKOHWGSNZIQLGQ-UHFFFAOYSA-N 348.428 0.585 10 10 ECCE O=C(COC(=O)[C@]12C[C@H]3C[C@@H](C(=O)N1)[C@H]2C3)c1ccc(O)c(O)c1 845362531 FBFZWIOLINXCKX-SGODGFQQSA-N 331.324 0.738 10 10 ECCE O=S1(=O)CCC[C@H](CS(=O)(=O)N2Cc3cccc(O)c3C2)C1 867691095 RCLYSFAHHSTWFU-NSHDSACASA-N 345.442 0.862 10 10 ECCE COc1ccc(N2CCN(C[C@@H](O)CN[C@H]3CCC[C@@H]3O)CC2)cc1 872224633 HJKVQGZAOGOWDD-WDSOQIARSA-N 349.475 0.681 10 10 ECCE Nc1ccc(C[C@@H]2Oc3ccccc3N(C[C@@H](O)CO)C2=O)cc1 62497418 MQFDBIOHYSIJIT-PBHICJAKSA-N 328.368 0.959 10 10 ECCE CCOc1ccc(N2CCN(C(=O)CN3CCOCC3=O)CC2)cc1 1321453129 SOZWEXVBJOVNNS-UHFFFAOYSA-N 347.415 0.593 10 10 ECCE COc1ccc(CNC[C@@H](O)CN(C)C(=O)c2ccnn2C)cc1C 1332491981 XQNSZHFZFOFRRZ-OAHLLOKOSA-N 346.431 0.960 10 10 ECCE COc1cc(C(=O)N[C@@H](C)CNC(=O)[C@@H](C)OC)cc(OC)n1 1295436492 UQQDXICKXBVZCK-VHSXEESVSA-N 325.365 0.368 10 10 ECCE CS(=O)(=O)Nc1ccc(O)c(C(=O)N=S2(=O)CCOCC2)c1 1603511267 TXSFODHTQSTQAR-UHFFFAOYSA-N 348.402 0.402 10 10 ECCE C[C@@H](N)c1ccc(N2C[C@H](O)[C@H](O)[C@@H]2CO)c(Br)c1 2136336116 LEFRIXVIAZGJAC-FFAVSVRISA-N 331.210 0.372 10 10 ECCE COc1cc(C(=O)N[C@H](C)CNC(=O)c2cc(C)[nH]n2)cc(OC)n1 1494618748 NSYDVJHGUZPKQR-SNVBAGLBSA-N 347.375 0.679 10 10 ECCE CS(=O)(=O)Nc1ccc(O)c(C(=O)NCc2cc(=O)cc[nH]2)c1 1556932684 UKUCSICMAQAYIF-UHFFFAOYSA-N 337.357 0.382 10 10 ECCE O=C1NC(=O)[C@]2(CCN(Cc3ccc(Br)cc3O)C2)N1 824597273 PTACFAKFYDFAQO-CYBMUJFWSA-N 340.177 0.939 10 10 ECCE NCc1cc(F)c(N2CC[C@](O)(CO)[C@H](O)C2)cc1Br 2234108438 UUIBKEAMDDQBMD-OLZOCXBDSA-N 349.200 0.341 10 10 ECCE CSc1ncc(CNS(=O)(=O)c2cnn(CCO)c2)s1 2284543109 YSRXZUYAZFRLAE-UHFFFAOYSA-N 334.448 0.532 10 10 ECCE CNC(=O)c1cncc(/C=C/C(=O)N2CCOc3c2c(C)nn3C)c1 492326614 DCQHUDIYEUXUMZ-SNAWJCMRSA-N 341.371 0.922 10 10 ECCE COc1ccc(N2CCN(CCCNC(=O)CC(N)=O)CC2)cc1 265797286 JTUJQINTLLQRBQ-UHFFFAOYSA-N 334.420 0.199 10 10 ECCE CC(=O)N1CSC[C@H]1C(=O)NC[C@@H](N)c1ccc(N(C)C)cc1 843299921 ZPUVXPQPBWJXKG-CABCVRRESA-N 336.461 0.790 10 10 ECCE Cc1cc(C(=O)NC[C@]2(CO)COCCN2)c(C)n1-c1ccccn1 913191002 HXGFTVLDDZRDDE-SFHVURJKSA-N 344.415 0.570 10 10 ECCE COc1ccc(N2CC[C@@H](NC(=O)C(=O)N[C@H]3CCCNC3)C2)cc1 851688374 YJLJAIFXSRPQKF-UONOGXRCSA-N 346.431 0.258 10 10 ECCE C[C@@H](NC(=O)C1=NO[C@@H](CN)C1)c1ccc(N2CCOCC2)cc1 852862463 FTGXVCZORPZVSV-IUODEOHRSA-N 332.404 0.804 10 10 ECCE CCOc1ccc(CNCCc2nnc3c(=O)n(C)ccn23)c(O)c1 886283988 LJHFQYXZONUHRZ-UHFFFAOYSA-N 343.387 0.865 10 10 ECCE CO[C@H]1COCC[C@@H]1N(C)C(=O)C(=O)NCc1ccc(N(C)C)cc1 897361459 IMFYAESQPJUXQC-HOTGVXAUSA-N 349.431 0.631 10 10 ECCE C[C@@H](CCNC(=O)c1ccc(N=NC(N)=O)cc1)N[C@@H]1CCNC1=O 1274840902 LSBNJSIKNBCEHI-GXFFZTMASA-N 346.391 0.836 10 10 ECCE COCc1ncc(CNC(=O)/C=C/c2ccc(O)c(O)c2)c(N)n1 1298395961 NBTAPTUCPGCKFO-HWKANZROSA-N 330.344 0.946 10 10 ECCE CN(C)S(=O)(=O)C1(CNC(=O)/C=C/c2ccc(O)c(O)c2)CC1 1471899999 AMQOXAUBKUQKQM-GQCTYLIASA-N 340.401 0.651 10 10 ECCE CC[C@@H](OC)C(=O)NC[C@@H](C)NC(=O)c1cc(OC)nc(OC)c1 1704012424 DNUJSVMPDMCBRF-ZYHUDNBSSA-N 339.392 0.758 10 10 ECCE COC(=O)/C=C\c1ccc(N2CC[C@](O)(C(N)=O)C2)c([N+](=O)[O-])c1 1772929326 ZPOAORPRBCAMAG-UYWPIULCSA-N 335.316 0.208 10 10 ECCE Cn1cc(C=CC(=O)N2CC(=O)Nc3ccccc32)c(=O)n(C)c1=O 2040491512 ZAEPVKMCOFEVQW-UHFFFAOYSA-N 340.339 0.083 10 10 ECCE COC[C@H](CCO)NC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 853772551 JAILCJSZZBYPRR-KBPBESRZSA-N 337.420 0.971 10 10 ECCE COc1ccc(N2CC[C@H](NC(=O)N3C[C@H](O)[C@@H](CO)C3)C2)cc1 854297426 NHPKZHFPHIPLFM-WWGRRREGSA-N 335.404 0.269 10 10 ECCE COc1ccc(N2CC[C@H](NC(=O)N3CCO[C@H](C(N)=O)C3)C2)cc1 854301410 PCJJHAAETNAZTM-WFASDCNBSA-N 348.403 0.170 10 10 ECCE COc1cccc(CNC(=O)C2CC3(C2)CS(=O)(=O)C3)c1O 1346694477 DWLCRCXTSIKINV-UHFFFAOYSA-N 325.386 0.842 10 10 ECCE CN(CC(N)=O)C[C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 1317862359 GXOTYCPMVAOUIE-LLVKDONJSA-N 346.391 0.728 10 10 ECCE COc1ccc(N2CC[C@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)cc1 1437578789 OMFATGNFASKVSI-TUKIKUTGSA-N 333.388 0.423 10 10 ECCE Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NC[C@@H](O)C(N)=O 1297345914 LZPCCGHOEQWRHU-OAHLLOKOSA-N 329.356 0.483 10 10 ECCE NS(=O)(=O)CCCNC(=O)NCCCSc1nccs1 1686914424 XLJQBRFVTQQAIB-UHFFFAOYSA-N 338.480 0.603 10 10 ECCE COC[C@H](O)CN[C@H]1C[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 1690301206 FACDAZZQZIFNTJ-MGPQQGTHSA-N 349.391 0.707 10 10 ECCE CC(C)(C)OC(=O)NC[C@@H](O)C(=O)NCCOc1ccc(N)cc1 2022816761 BBLPPPOBHDJOLS-CYBMUJFWSA-N 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CN(C)S(=O)(=O)c1ccc(C(=O)NCc2cc(O)ccc2O)o1 1593873447 PPYRGEQWQABNCQ-UHFFFAOYSA-N 340.357 0.871 10 10 ECCE O=C1Nc2cc(N3C[C@H](O)C[C@@H]3CO)c(Br)cc2[C@H]1O 698140006 ZAULUXZEMDBWHK-NQYJQULFSA-N 343.177 0.367 10 10 ECCE NCc1cc(F)c(N2C[C@@H]3C[C@H]2[C@@H](O)[C@@H]3O)cc1Br 2329331700 DNOOIUSPMRVPCQ-KWZQHJIPSA-N 331.185 0.977 10 10 ECCE Cc1ccc(CNC(=O)[C@H](N)CC(=O)O)c(O)c1Br 2352946752 CFMGOPMJNSAOCA-MRVPVSSYSA-N 331.166 0.881 10 10 ECCE COc1ccc(CNC[C@H](C)NC(=O)C2CS(=O)(=O)C2)cc1C 1268687427 RNBSTNPHUPGYIU-LBPRGKRZSA-N 340.445 0.643 10 10 ECCE [N-]=[N+]=N[C@@H]1[C@H](O)[C@@H](O)[C@@H](CO)O[C@@H]1Oc1ccc([N+](=O)[O-])cc1 616587546 KTWQZFHYGZLIJI-GCHJQGSQSA-N 326.265 0.092 10 10 ECCE CC(=O)C(=O)COC(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 808527702 KXZFHULZFCPOML-LLVKDONJSA-N 329.349 0.714 10 10 ECCE Cn1c(C(=O)OCC(=O)c2ccc(O)c(O)c2)c2n(c1=O)CCCC2 837827744 NZFXRFHGDDBBKH-UHFFFAOYSA-N 346.339 0.974 10 10 ECCE COCCN1CCC[C@@H]1CNC(=O)C(=O)NCCc1ccc(N)cc1 842185968 CICFQPWXODUZLD-MRXNPFEDSA-N 348.447 0.155 10 10 ECCE CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)NCc1ccc(O)cc1O 1162279206 VWHZSUWIGOGFIN-GFCCVEGCSA-N 330.406 0.678 10 10 ECCE COC(=O)[C@H](CC1OCCO1)NC(=O)/C=C\c1ccc(O)c(O)c1 1175169745 NYWHDEMUWWGXNA-MZBZXASESA-N 337.328 0.532 10 10 ECCE CN(C)c1ccc(CNC(=O)C(=O)NCC[C@H]2CNC(=O)C2)cc1 1335474805 JRCGPLQOCGOPEX-CYBMUJFWSA-N 332.404 0.011 10 10 ECCE COC(=O)[C@@H]1C[C@@H]1CNC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 1262150462 DIBOMXMZXRDMPJ-UKRRQHHQSA-N 347.415 0.636 10 10 ECCE CS(=O)(=O)N1CCN(c2ccc(CN)cc2Br)CC1 213041708 XTXRCYCYXQDKMD-UHFFFAOYSA-N 348.266 0.989 10 10 ECCE Cc1nc(CN2CCN(C(=O)Cc3ccc(O)c(O)c3)CC2)no1 1615096831 ACHRMGOTTTYFHO-UHFFFAOYSA-N 332.360 0.676 10 10 ECCE COc1ccc(N2CC(N)(C(N)=O)C2)c(OC)c1Br 2109485392 NXOZNNAIXXUJCD-UHFFFAOYSA-N 330.182 0.469 10 10 ECCE CC(C)(C)OC(=O)N1[C@H](COc2nnc(=N)[nH]n2)C[C@H]2COC[C@@H]21 2213786198 VVUROIBVYIMOIJ-GUBZILKMSA-N 338.368 0.082 10 10 ECCE COc1ccc(CNC[C@@H](C)NC(=O)C2CS(=O)(=O)C2)cc1C 1268647427 RNBSTNPHUPGYIU-GFCCVEGCSA-N 340.445 0.643 10 10 ECCE CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCN3CCC2CC3)c1 373730527 WPQCIIHODYELFR-UHFFFAOYSA-N 339.417 0.684 10 10 ECCE COc1ccc(N2CC[C@H](NC(=O)C(=O)N[C@H](C)C[C@@H](C)N)C2)cc1 851689788 UZPLEHBCSKCXDC-MCIONIFRSA-N 348.447 0.632 10 10 ECCE CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CC(n3ccnn3)C2)c1 779557209 QCLBOLVJYIHIIE-UHFFFAOYSA-N 337.361 0.052 10 10 ECCE NC[C@]1(CO)COCCN1Cc1cc(Br)ccc1O 693945760 KEHSTOIEPRYBBW-ZDUSSCGKSA-N 331.210 0.677 10 10 ECCE CS(=O)(=O)C[C@@H]1CN(C(=O)/C=C/c2ccc(O)c(O)c2)CCO1 1179415365 SXAVCNNNFOAGTJ-PYEVWLCESA-N 341.385 0.383 10 10 ECCE C[C@H](CNCC(=O)N1CCC1)NC(=O)c1ccc(N=NC(N)=O)cc1 1483200558 ZPTWOCYNHYVLDX-LLVKDONJSA-N 346.391 0.789 10 10 ECCE COC(=O)[C@@H](CCC1OCCO1)NC(=O)c1cccc(O)c1O 1558042852 HWSSMJQNNHGKEG-SNVBAGLBSA-N 325.317 0.522 10 10 ECCE O=C(NCCc1ccc(O)c(O)c1)c1cc(N2CCOCC2)ncn1 1636022680 OYPZCMVBUFRKTI-UHFFFAOYSA-N 344.371 0.697 10 10 ECCE COC(=O)[C@@H]1CCCN(CC(=O)NCc2ccc(O)cc2O)C1=O 1570463278 LCJSCBSEVJAQAJ-GFCCVEGCSA-N 336.344 0.126 10 10 ECCE 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CN(C)c1ccc(/C=C/CNC2CN(S(=O)(=O)N(C)C)C2)cc1 858313202 BLUFCLXSDFYULX-AATRIKPKSA-N 338.477 0.846 10 10 ECCE O=C1N=C(N2CCOCC2)S/C1=C/c1cn(C[C@H]2CCOC2)nn1 865216403 FQWWJDCLWRGBJB-ZTFCMROMSA-N 349.416 0.617 10 10 ECCE Cc1cc(C(=O)NCCc2nnnn2C)c(C)n1-c1ccccn1 771774273 FJPZPTYGXNHKQY-UHFFFAOYSA-N 325.376 0.985 10 10 ECCE Nc1ncnc2c1ncn2CCCC(=O)NCc1cccc(O)c1O 1303195192 RZARAVZOBMLQAL-UHFFFAOYSA-N 342.359 0.916 10 10 ECCE CCOc1ccc(N2CCN(C(=O)C3CS(=O)(=O)C3)CC2)cc1 1329764084 ZMGPKURUHPXYMB-UHFFFAOYSA-N 338.429 0.779 10 10 ECCE CC1(C)CN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C[C@H](CO)O1 1261866787 NEMIZZFIIPSKBK-GFCCVEGCSA-N 334.372 0.233 10 10 ECCE CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@](C)(O)CC 1296054277 HPBCTABAYIPXQG-MEDUHNTESA-N 325.361 0.849 10 10 ECCE CNC(=O)NC[C@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)CCO1 1453575386 HKUGIDDIGOPSQU-LBPRGKRZSA-N 348.363 0.619 10 10 ECCE C[C@@H](O)c1ccc(N2CC3(C2)OC[C@@H](O)[C@H]3O)c(Br)c1 2183638043 FHUKYMHJSBBSBP-BZHVJNSISA-N 344.205 0.813 10 10 ECCE COCCN(C(=O)/C=C/c1cn(C)c(=O)n(C)c1=O)c1ccccc1 493646670 FUSQZPHPNXCKCE-MDZDMXLPSA-N 343.383 0.777 10 10 ECCE CC(=O)C(=O)COC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 808509989 YXWVTHSIJTZIHL-UHFFFAOYSA-N 329.286 0.313 10 10 ECCE NC(=O)C[C@H]1CN(Cc2ccc(N3CCOCC3)c(F)c2)CCO1 862535751 YAJOULGNUVVYCD-AWEZNQCLSA-N 337.395 0.739 10 10 ECCE CC(=O)N1CCN(c2ccc(CNC[C@@H](O)C3(O)CCC3)cc2)CC1 1120511708 UHBIPIXCNYDGJN-GOSISDBHSA-N 347.459 0.721 10 10 ECCE CN(C)c1ccc(CNC(=O)NCCC2CS(=O)(=O)C2)cc1 786687928 PHOYXCQDPKDHNG-UHFFFAOYSA-N 325.434 0.987 10 10 ECCE CN1CCCc2cc(CNC(=O)C(=O)N[C@@H]3[C@H]4COC[C@H]43)ccc21 1341102483 GQFCFSJQVYQDCX-FOLVSLTJSA-N 329.400 0.446 10 10 ECCE CC(C)[C@H](O)CCNC(=O)c1cc(NS(C)(=O)=O)ccc1O 1628172424 YYZAKUHWXGUYQK-GFCCVEGCSA-N 330.406 0.901 10 10 ECCE NC(=O)[C@H]1CN(Cc2cc(Br)ccc2O)C[C@@H]1C(N)=O 693454254 MVWRLTGNBSTTGN-UWVGGRQHSA-N 342.193 0.173 10 10 ECCE NC(=O)N[C@@H]1CCN(C(=O)NCc2ccc(N3CCOCC3)cc2)C1 270668014 LBDRLLSDOROVJX-CQSZACIVSA-N 347.419 0.475 10 10 ECCE O=C(c1cccc(O)c1O)N1CC(S(=O)(=O)NC2CCCC2)C1 365099394 LGDPIGRGUJAOKO-UHFFFAOYSA-N 340.401 0.784 10 10 ECCE COC(=O)[C@H]1CS(=O)(=O)CCN1Cc1ccc(N(C)C)c(F)c1 276780034 QKWBVBQNNTVWML-CQSZACIVSA-N 344.408 0.664 10 10 ECCE CCOC(=O)c1cnn2c(O)cc(COC(=O)[C@H]3CCC[C@H]3O)nc12 745325546 BBJJEPBRVUUKPN-CMPLNLGQSA-N 349.343 0.816 10 10 ECCE Nc1ccc(NC(=O)C(=O)N2CCn3c(CC4CC4)nnc3C2)cc1 846323852 ZBSMQVJZWYQVDS-UHFFFAOYSA-N 340.387 0.794 10 10 ECCE Cn1cc(CCOC(=O)c2cc(NS(C)(=O)=O)ccc2O)nn1 859520248 GZKOBDWRCFYGNZ-UHFFFAOYSA-N 340.361 0.292 10 10 ECCE COC1(C(=O)N(C)Cc2ccc(N(C)C)cc2)CS(=O)(=O)C1 929527078 BXVOQDBJZZADST-UHFFFAOYSA-N 326.418 0.525 10 10 ECCE CNC(=O)[C@H]1CNCCN1Cc1ccc(Br)cc1O 691495104 AWNUKOZMMUBVQE-LLVKDONJSA-N 328.210 0.675 10 10 ECCE C[C@H](NC(=O)[C@H]1CC[C@@H](C(N)=O)O1)c1ccc(N2CCOCC2)cc1 1357928334 MSODJXMOKZXBLK-VBNZEHGJSA-N 347.415 0.733 10 10 ECCE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](O)[C@H]1C(=O)NCCCCN=[N+]=[N-] 2022958881 HZPDTLQLXLPLAG-GARJFASQSA-N 343.384 0.534 10 10 ECCE 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COc1ccc(N2CC[C@H](NC(=O)NC[C@@]3(O)CCOC3)C2)cc1 854298092 VSSKJDQDMNOXAH-GUYCJALGSA-N 335.404 0.725 10 10 ECCE COCCS(=O)(=O)CC(=O)NCc1ccc2cccnc2c1O 862028699 IGZJJESBNZSLDB-UHFFFAOYSA-N 338.385 0.618 10 10 ECCE CN(C)c1ccc(CNC(=O)C(=O)N2C[C@@H](O)CC(F)(F)C2)cc1 1116976603 WEAJQEQDYPQUNZ-ZDUSSCGKSA-N 341.358 0.597 10 10 ECCE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@](C)(O)Cn1ccccc1=O 791136511 CUQKJRFXZQTNQA-SGTLLEGYSA-N 346.383 0.758 10 10 ECCE COc1ccc(CNC[C@H](O)CNC(=O)[C@@H]2CCC(=O)N2C)cc1C 1716096668 HCTZEDUAJPPORT-GJZGRUSLSA-N 349.431 0.191 10 10 ECCE COc1ccc(CN[C@@H](CNC(=O)Cn2cnnn2)C(C)C)cc1C 1496521882 HANZYOOWMGXBFC-HNNXBMFYSA-N 346.435 0.921 10 10 ECCE NC(=O)N=Nc1ccc(C(=O)NCCNC(=O)[C@@H]2[C@H]3COC[C@H]32)cc1 1575394255 QWMZAFGDQXFELG-ITGUQSILSA-N 345.359 0.587 10 10 ECCE CCOC(=O)N1CCN(C(=O)c2nnn(-c3ccc(N)cc3)n2)CC1 1857879214 ZBXXRSVUGHMGJS-UHFFFAOYSA-N 345.363 0.159 10 10 ECCE CCOC(=O)c1cnn2c(O)cc(CN3CCN4CCC[C@@H]4C3)nc12 178627892 BGTWHIWDIBYAJU-CYBMUJFWSA-N 345.403 0.892 10 10 ECCE CS(=O)(=O)N[C@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2O)C1 170912568 AXIKMGMPOHCCMU-NSHDSACASA-N 329.378 0.814 10 10 ECCE C[C@H](N)c1ccc(N(CC(N)=O)CC(N)=O)cc1Br 723171690 VGMDDKNRQAUAKE-ZETCQYMHSA-N 329.198 0.246 10 10 ECCE COc1ccc(N2CC[C@H](NC(=O)CN(C)S(C)(=O)=O)C2)cc1 855232134 NYBVUQOJGZHFKK-LBPRGKRZSA-N 341.433 0.282 10 10 ECCE CCOC(=O)[C@H](N)C(=O)N1CCCN(c2ccc(OC)cc2)CC1 852861579 GHMYQELBDZZRAB-OAHLLOKOSA-N 335.404 0.624 10 10 ECCE NCC12CC(CN1C(=O)C(=O)NCc1ccc(N3CC=CC3)cc1)C2 851686086 ZPVCDEYMLSOSSO-UHFFFAOYSA-N 340.427 0.629 10 10 ECCE COc1cc(O)c(CNC[C@@]23COCCN2C(=O)OC3)cc1OC 872263173 WZSJARVKXJFQJF-INIZCTEOSA-N 338.360 0.720 10 10 ECCE C[C@@]1(C2CCN(C(=O)Cc3ccc(O)c(O)c3)CC2)NC(=O)NC1=O 1136995141 VMKDKYWGIOPWOI-KRWDZBQOSA-N 347.371 0.477 10 10 ECCE CCN1CC[C@@H]1CNC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 897809753 WYXAKLVJMXJJAZ-QGZVFWFLSA-N 342.443 0.889 10 10 ECCE C[C@@H](NC(=O)NC1CC(NS(C)(=O)=O)C1)c1ccccc1O 1312565885 YGQPHMMHRFGELJ-KPPDAEKUSA-N 327.406 0.833 10 10 ECCE COc1ccc(CN[C@H](CO)CNC(=O)C2=CCOCC2)cc1C 1507190247 DGPGAJVIEBSLIV-INIZCTEOSA-N 334.416 0.917 10 10 ECCE O=C(Cc1ccc(-n2cnnn2)cc1)NCc1cc(O)ccc1O 1637122640 LECFIAGNNGWVLX-UHFFFAOYSA-N 325.328 0.932 10 10 ECCE O=C(CS[C@@H]1CCS(=O)(=O)C1)NCc1ccc(O)cc1O 1639440918 BHTKIDXQWOASOV-LLVKDONJSA-N 331.415 0.634 10 10 ECCE O=C(/C=C\c1ccc(O)c(O)c1)N[C@H](CO)[C@@H](O)c1cccnc1 1587162165 QCXMTRFVJJSBTM-HUIAQSGMSA-N 330.340 0.717 10 10 ECCE COc1ccc(N2CCN(C(=O)C[C@@H]3C(=O)NN=C3C)CC2)cc1 1873831360 HPLGQXTZCOCNQD-HNNXBMFYSA-N 330.388 0.856 10 10 ECCE Cc1c(OCC(=O)c2ccc(O)c(O)c2)c(=O)ccn1CC(=O)O 1857918845 INZUQUDQOVINON-UHFFFAOYSA-N 333.296 0.914 10 10 ECCE COC[C@@H]1[C@H](O)[C@@H](O)CN1c1ccc(CN)c(Br)c1 2225701040 OABMJFCHIASJRI-AGIUHOORSA-N 331.210 0.465 10 10 ECCE CN(C)C(=O)CCN1CCN(Cc2cc3c(cc2O)OCO3)CC1 268364963 QWXWJWOQLXICPV-UHFFFAOYSA-N 335.404 0.717 10 10 ECCE CN1CCCc2cc(CNC(=O)C(=O)N[C@H]3CCCCNC3)ccc21 842150457 SKUXZVSMIBCXHU-INIZCTEOSA-N 344.459 0.944 10 10 ECCE CNC(=O)NCC(=O)N1C[C@@H](C)[C@@H](NCc2ccc(OC)c(C)c2)C1 1327866864 DYGQRIOWEDWAHA-HIFRSBDPSA-N 348.447 0.869 10 10 ECCE CC[C@@H](CNC(=O)c1nc[nH]n1)NC(=O)c1cc(OC)nc(OC)c1 1356914187 XFFNNLOSJLQOJC-JTQLQIEISA-N 348.363 0.155 10 10 ECCE COc1ccc(CNC[C@H](O)CNC(=O)c2cnc(O)n2C)cc1C 1272496328 NEEQMUPYDKKVPJ-ZDUSSCGKSA-N 348.403 0.323 10 10 ECCE O=C(CCCS(=O)(=O)N1CCCC1)NCc1ccc(O)cc1O 1469158764 FOWDVJHITGYCMQ-UHFFFAOYSA-N 342.417 0.920 10 10 ECCE COC(=O)[C@H]1CCCN(CC(=O)NCc2ccc(O)c(O)c2)C1=O 1622664560 XUXHWZWMIPVOEM-NSHDSACASA-N 336.344 0.126 10 10 ECCE COc1ccc(CN[C@@H](C)CCNC(=O)Cn2ncnn2)cc1C 1484992622 JJTQXRKMSCHLJK-ZDUSSCGKSA-N 332.408 0.675 10 10 ECCE COC(=O)c1cccn(CC(=O)NCc2cccc(O)c2O)c1=O 1651175564 CJFCXXCYRDTXLU-UHFFFAOYSA-N 332.312 0.363 10 10 ECCE CC(=O)C(=O)COC(=O)C[C@@H]1COCCN1C(=O)OC(C)(C)C 808551112 YVFZTBSBONGNIO-LLVKDONJSA-N 329.349 0.714 10 10 ECCE CC(=O)C(=O)COC(=O)CN(C)S(=O)(=O)c1ccc(C)c(C)c1 808500532 PNLMEMCILKZCQS-UHFFFAOYSA-N 341.385 0.625 10 10 ECCE c1cc(N2CCOCC2)ccc1Cn1cc([C@H]2COCCN2)nn1 900603789 KCFUQUHKTCENSG-QGZVFWFLSA-N 329.404 0.824 10 10 ECCE Cn1nccc1[C@H]1COCCN1C(=O)C(=O)Nc1ccc(N)cc1 846324562 CMIXZQDALRDXOK-CQSZACIVSA-N 329.360 0.541 10 10 ECCE COc1ccc(CN[C@@H](C)CN(C)C(=O)[C@H](C)NC(N)=O)cc1C 1331427114 MROZFSWFODIEBX-STQMWFEESA-N 336.436 0.997 10 10 ECCE COC(=O)c1cccn(CC(=O)NCc2ccc(OC)cc2O)c1=O 1626079623 ISJWDOJSEGVVIE-UHFFFAOYSA-N 346.339 0.666 10 10 ECCE CCS(=O)(=O)NC1CCN(C(=O)Cc2ccc(O)c(O)c2)CC1 1625599526 UQGSZFNHPFANGO-UHFFFAOYSA-N 342.417 0.571 10 10 ECCE CS(=O)(=O)CCn1ccc(NC(=O)Cc2ccc(O)c(O)c2)n1 1565925856 RTFQNQAIALSSGD-UHFFFAOYSA-N 339.373 0.520 10 10 ECCE C[C@H](NC(=O)c1c[nH]nc1S(N)(=O)=O)c1ccc(N(C)C)cc1 1638957504 PVGWBHPITHNFJS-VIFPVBQESA-N 337.405 0.614 10 10 ECCE CN(c1ccc(CN)c(Br)c1F)[C@H]1CC(=O)NC1=O 2114733702 YTNXDUADKMOTMM-QMMMGPOBSA-N 330.157 0.898 10 10 ECCE C[C@@H](O)c1ccc(N2CC[C@@](O)(CO)[C@H](O)C2)cc1Br 2234093115 QSTBMTGNBCNTFR-OWYVNGRQSA-N 346.221 0.797 10 10 ECCE 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COc1ccc(CNC/C=C\CNC(=O)[C@@H]2CNC(=O)N2)cc1C 1732897123 UTCJMAQFJXGVOE-NQHOJNORSA-N 332.404 0.447 10 10 ECCE NC(=O)C[C@H](C(=O)O)N1C(=O)C(=Cc2ccccn2)SC1=S 2314541545 NRQMFPCTZBJZLB-MRVPVSSYSA-N 337.382 0.611 10 10 ECCE CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Cn1cn[nH]c1=O 180504766 ZGCZVRFYQJMVRY-UHFFFAOYSA-N 331.376 0.067 10 10 ECCE CC(=O)C(=O)COC(=O)c1nccn2c(Br)cnc12 808532574 CGTCBGVOAPLKHP-UHFFFAOYSA-N 326.106 0.807 10 10 ECCE CN1C(=O)C(=CN[C@H]2CCN(Cc3ccccc3)C2)C(=O)N(C)C1=O 299255802 HIGQREKYSYRMGR-AWEZNQCLSA-N 342.399 0.785 10 10 ECCE COc1ccc(N2CC[C@H](NC(=O)NC[C@H]3COCCN3C)C2)cc1 858600150 TVONEFPCVLEPMF-HOCLYGCPSA-N 348.447 0.904 10 10 ECCE Cn1c(N(Cc2ccccc2O)C[C@H]2CCCO2)cc(=O)n(C)c1=O 853462168 LGYHBYZTMMDIBZ-CQSZACIVSA-N 345.399 0.975 10 10 ECCE CC1(C)NC(=O)N(CC(=O)NCc2ccc3cccnc3c2O)C1=O 862028558 CXOJDCOICUPTPE-UHFFFAOYSA-N 342.355 0.887 10 10 ECCE C[C@@H](NC(=O)NCCCCn1cc(C(N)=O)nn1)c1ccccc1O 1312852844 UUASROPSGANPTL-LLVKDONJSA-N 346.391 0.923 10 10 ECCE O=C(Cc1ccc(O)c(O)c1)N1CCS(=O)(=O)[C@H]2CCC[C@@H]21 1449582448 HAYKUWBLBCPAQT-FZMZJTMJSA-N 325.386 0.818 10 10 ECCE O=C(CCN1C(=O)NC2(CCCC2)C1=O)NCc1ccc(O)cc1O 1630302175 RZXNDRWCOPUIHZ-UHFFFAOYSA-N 347.371 0.969 10 10 ECCE O=C(Cc1ccc(O)c(O)c1)NC[C@H]1CCC[C@@]12NC(=O)NC2=O 1634402634 BFPGRUVLQDDQET-QLJPJBMISA-N 333.344 0.135 10 10 ECCE C[C@H](O)c1ccc(N2CC3(C2)OC[C@H](O)[C@H]3O)c(Br)c1 2183638041 FHUKYMHJSBBSBP-AQUOVQTQSA-N 344.205 0.813 10 10 ECCE N=C(N)NNC=C1C(=O)NC(=O)N(c2cccc3ccccc23)C1=O 2296930333 PPIOFIJWSMQKQM-UHFFFAOYSA-N 338.327 0.294 10 10 ECCE CNC(=O)[C@@H]1CCN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 817284548 XCLPIGHAXKELMW-OAHLLOKOSA-N 332.448 0.779 10 10 ECCE C[C@H](NC=C1C(=O)NC(=S)NC1=O)c1ccc(-n2cncn2)cc1 920979908 YYOFOWPSQURICH-VIFPVBQESA-N 342.384 0.333 10 10 ECCE CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N1CCC[C@@](N)(CO)C1 926289136 RMIFHLYDFVDJSH-SFHVURJKSA-N 348.447 0.023 10 10 ECCE COc1ccc(N2CC[C@@H](NC(=O)NCC[S@](C)=O)C2)cc1 852118521 ZLLYBXVOFBDPBU-IPQOISQHSA-N 325.434 0.952 10 10 ECCE COC(=O)CCNC(=O)CCNC(=O)/C=C/c1ccc(O)c(O)c1 863156773 BHZUXDZDGYDPGN-HWKANZROSA-N 336.344 0.297 10 10 ECCE CN(Cc1ccccc1O)C(=O)C(=O)N1CC[C@@H]2[C@H](CCN2C)C1 1119015322 NHRGYCQRKZVNEI-UKRRQHHQSA-N 331.416 0.903 10 10 ECCE O=C(C(=O)N1CCCN2CCC[C@@H]2C1)N1Cc2cccc(O)c2C1 1119004385 VBMBOZMSBMHOBM-CQSZACIVSA-N 329.400 0.931 10 10 ECCE NC(=O)c1cn(CCCCNC(=O)N2Cc3cccc(O)c3C2)nn1 1312853161 ZBFKBTZBUVXJAB-UHFFFAOYSA-N 344.375 0.588 10 10 ECCE C[C@@H]1CC[C@H](NC(=O)C(=O)Nc2ccc(N)cc2)CS1(=O)=O 1333516720 QNQUWOBDFTXYSK-SKDRFNHKSA-N 325.390 0.289 10 10 ECCE O=C(N[C@@H](CO)C(=O)NCc1ccc(O)c(O)c1)c1cccc(F)n1 1622643314 LWLPORDOHPGDRS-NSHDSACASA-N 349.318 0.039 10 10 ECCE COc1ccc(CNC[C@H](C)N(C)C(=O)[C@H](C)NC(N)=O)cc1C 1666886459 ADIUTWJMDOXJIL-STQMWFEESA-N 336.436 0.997 10 10 ECCE C[C@H](O)[C@@H](NC(=O)C1CCCC1)C(=O)NCc1c(O)cccc1O 1597574442 LDUZZRCBJBYTMJ-ZUZCIYMTSA-N 336.388 0.770 10 10 ECCE C[C@@H](NC(=O)NC[C@]12COCCN1C(=O)OC2)c1ccccc1O 1684826940 OMORTVFKRYYJPL-BDJLRTHQSA-N 335.360 0.974 10 10 ECCE CC(C)(C)OC(=O)NC(CO)(CO)CNCc1c(O)cccc1F 2249540498 WTQXTKNDVKDPTH-UHFFFAOYSA-N 344.383 0.869 10 10 ECCE O=C(Nc1cc(O)c(O)c(O)c1)N1CCN(c2ncccn2)CC1 217278912 YRMCHQCDONEXND-UHFFFAOYSA-N 331.332 0.948 10 10 ECCE NCCNc1ccc(NCCN)c2c1C(=O)c1cccnc1C2=O 138789374 LERLSYZHEFMEBV-UHFFFAOYSA-N 325.372 0.598 10 10 ECCE CN(C)c1ccc(CNS(=O)(=O)[C@H]2CC(=O)N(C3CC3)C2)cc1 866425950 XUJCKJLIBLLWGE-HNNXBMFYSA-N 337.445 0.935 10 10 ECCE CN(Cc1ccccc1O)C(=O)C(=O)N1C[C@H]2CC[C@H]1[C@@H]1CNC[C@@H]21 1118973572 FVVMWRPAYCTPFP-BVUBDWEXSA-N 343.427 0.807 10 10 ECCE COc1ccc(CNC[C@H](O)CNC(=O)Cc2cnc[nH]2)cc1C 1715602952 FAHGSQUOTFGWMN-HNNXBMFYSA-N 332.404 0.536 10 10 ECCE NS(=O)(=O)Cc1cccc(C(=O)NCc2ccc(O)cc2O)c1 1570462583 ZVHVRCIBJCYZEE-UHFFFAOYSA-N 336.369 0.816 10 10 ECCE COc1ccc(CNC[C@H](C)NC(=O)[C@H]2CN(C)C(=O)N2)cc1C 1733008611 TUTXVDDRYFXPFI-GXTWGEPZSA-N 334.420 0.622 10 10 ECCE O=C1NC(=O)[C@@]2(CCN(Cc3ccc(Br)cc3O)C2)N1 824597274 PTACFAKFYDFAQO-ZDUSSCGKSA-N 340.177 0.939 10 10 ECCE CNCc1ccc(N2C[C@H](O)[C@H](O)[C@H]2COC)cc1Br 2234076974 XZZVSBOVCUGVAY-HZSPNIEDSA-N 345.237 0.725 10 10 ECCE O=C1N=C(N2CCN(CCO)CC2)SC1=Cc1ccc(O)cc1 2296679728 FSVIIHDHCGSQLI-UHFFFAOYSA-N 333.413 0.972 10 10 ECCE [N-]=[N+]=N[C@H]1[C@H](Oc2ccc([N+](=O)[O-])cc2)O[C@H](CO)[C@H](O)[C@@H]1O 77311769 KTWQZFHYGZLIJI-RMPHRYRLSA-N 326.265 0.092 10 10 ECCE in-vitro COc1ccc(N2CCN(CC(=O)NCCNC(C)=O)CC2)cc1 52891357 RWCWZQRHCIOSOV-UHFFFAOYSA-N 334.420 0.070 10 10 ECCE COc1cncc(O[C@H]2CCN(C(=O)c3cc(O)nc(O)c3)C2)n1 238811671 ALOMNMWIQOLSTC-JTQLQIEISA-N 332.316 0.585 10 10 ECCE O=C1NC(=O)[C@H](CC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)N1 270681621 CNSMLQWHPRXEDH-OLZOCXBDSA-N 347.371 0.498 10 10 ECCE O=S(=O)(NCc1ccc(N2CCC(CO)CC2)cc1)C1CNC1 923613502 CMFAGRJGVBXCFW-UHFFFAOYSA-N 339.461 0.287 10 10 ECCE O=C(O)C1CN(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)C1 857101481 YRKVOXAWDCCFQF-UHFFFAOYSA-N 333.388 0.874 10 10 ECCE CNCCOCCNC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 861798275 BCAHHIWSDWFYNQ-UHFFFAOYSA-N 336.436 0.063 10 10 ECCE C[C@H](C(N)=O)N(C)CCN(C)C(=O)c1ccc(N=NC(N)=O)cc1 1568507129 VVXJVGUAETYOPC-SNVBAGLBSA-N 334.380 0.727 10 10 ECCE CC(C)(C)OC(=O)N[C@@H](CCOc1nnc(=N)[nH]n1)C(F)(F)F 2210652062 QQLZROOUVHVZIL-LURJTMIESA-N 338.290 0.904 10 10 ECCE COC(=O)COc1ccc(/C=C2/C(=O)NC(=O)N(C)C2=O)cc1OC 33315175 ICWJFQFABIDGKZ-POHAHGRESA-N 348.311 0.339 10 10 ECCE O=C(NCc1ccc(N2CCOCC2)cc1)N1C[C@@H]2C[C@H]1C[S@]2=O 844912660 ITPUIEZXMMHXTP-CCHLGUQTSA-N 349.456 0.938 10 10 ECCE CS(=O)(=O)Nc1ccc(O)c(C(=O)Nc2ccnc(CO)c2)c1 763244321 UJHILSCXXBYKSW-UHFFFAOYSA-N 337.357 0.903 10 10 ECCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@](C)(O)Cn1ccccc1=O 791136515 CUQKJRFXZQTNQA-XIKOKIGWSA-N 346.383 0.758 10 10 ECCE COc1ccc(CNC(=O)C2=CN(C)S(=O)(=O)N=C2C)c(O)c1 1155573919 CWORVNWLZMVOSC-UHFFFAOYSA-N 339.373 0.552 10 10 ECCE Cn1c(Br)nnc1CNC(=O)c1cc(O)nc(O)c1 2121518147 RAOWQHSOAGBALU-UHFFFAOYSA-N 328.126 0.314 10 10 ECCE CNC(=O)[C@@H](C)N(C)c1cc2c(cc1Br)[C@@H](N)C(=O)N2 1916822441 VSQYXSZPSSKNAI-KSBSHMNSSA-N 341.209 0.972 10 10 ECCE CN(C)c1ccc(CNC(=O)CN2CCS(=O)(=O)CCO2)cc1 1460965246 NTYRRJDJOQHYDV-UHFFFAOYSA-N 341.433 0.031 10 10 ECCE CNC(=O)CNCC1CC(NC(=O)c2ccc(N=NC(N)=O)cc2)C1 1717394255 FADLZLRNFWSGRR-UHFFFAOYSA-N 346.391 0.693 10 10 ECCE CNC(=O)CN(C)[C@@H](C)CNC(=O)c1ccc(N=NC(N)=O)cc1 1734067214 XJVUFNIRNQMCJM-JTQLQIEISA-N 334.380 0.645 10 10 ECCE CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)N[C@H](C)c1ccccc1O 1674295658 AIAJSMYDKYFYEZ-CDMKHQONSA-N 328.390 0.564 10 10 ECCE COC1(C(=O)C(=O)C[C@H]2C[C@H](N)C2)CN(C(=O)OC(C)(C)C)C1 1980369311 JRIPPUSBFMDUNX-XYPYZODXSA-N 326.393 0.888 10 10 ECCE CN1CCC[C@@H](NC(=O)C(=O)NCc2ccc(N(C)C)c(F)c2)C1 803664947 UGWLBUJNNKNQEE-CYBMUJFWSA-N 336.411 0.718 10 10 ECCE CS(=O)(=O)NC[C@H]1CCC[C@@H]1NC(=O)c1cccc(O)c1O 800668713 WXGIQTQUVIFBFD-KOLCDFICSA-N 328.390 0.546 10 10 ECCE CC(=O)C(=O)COC(=O)[C@@H](CCS(C)(=O)=O)c1ccccc1 808545496 CQCXEJSVNKLJGQ-ZDUSSCGKSA-N 326.370 0.906 10 10 ECCE O=C(C=Cc1ccc(O)c(O)c1)O[C@@H]1CC(C(=O)O)=C[C@@H](O)[C@H]1O 1933295868 QMPHZIPNNJOWQI-UMVBOHGHSA-N 336.296 0.159 10 10 ECCE COCCN1CCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)CC1 1331936034 ANQLHKWCPMYKAX-UHFFFAOYSA-N 333.388 0.025 10 10 ECCE O=C1NC(=O)N2CCN(C(=O)c3cc4cc(O)c(O)cc4s3)C[C@@H]12 1465506864 RUJORYNGBUPTOH-QMMMGPOBSA-N 347.352 0.689 10 10 ECCE Cc1ccc(O)c(CNC(=O)NC[C@@]23COCCN2C(=O)OC3)c1 1471133687 QNEBCWOFVHMQHV-INIZCTEOSA-N 335.360 0.721 10 10 ECCE O=C(CSCC(=O)N1CCOCC1)NCc1cc(O)ccc1O 1644752316 AMTLMTZTYOXADG-UHFFFAOYSA-N 340.401 0.306 10 10 ECCE COC[C@@H]1[C@H](O)[C@@H](O)CN1c1ccc(CO)c(Br)c1 2225515557 BAIVESVNDGBZGN-AGIUHOORSA-N 332.194 0.498 10 10 ECCE CCOc1ccc(O)c(CN2CCN(C(=O)N3CCNCC3)CC2)c1 530241003 ASJOIIIFGPULAC-UHFFFAOYSA-N 348.447 0.934 10 10 ECCE COc1ccc(N(C)CCN(C)C(=O)C(=O)N(C)[C@@H]2CCOC2)cc1 846259059 UTICEEKMVAUZAP-OAHLLOKOSA-N 349.431 0.837 10 10 ECCE CN1CCOC[C@]1(CO)CNCc1ccc(N2CCC(O)CC2)cc1 922533120 LCPUUVXLFRIPMX-LJQANCHMSA-N 349.475 0.430 10 10 ECCE COc1ccc(N2CC[C@@H](NC(=O)[C@H](C)N3C(=O)CCC3=O)C2)cc1 855230957 GVNMYUNUHTVELU-QWHCGFSZSA-N 345.399 0.928 10 10 ECCE COc1ccc(-n2nnnc2CN[C@H](C)CNC(=O)C(F)F)cc1 1317222486 MZNDOPQBNZQXGD-SECBINFHSA-N 340.334 0.530 10 10 ECCE COC(=O)c1ncoc1COCC(=O)NCc1ccc(O)c(O)c1 1335141267 HFMMXRNATRZBSK-UHFFFAOYSA-N 336.300 0.705 10 10 ECCE Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N[C@@H](CO)C(N)=O 1627291490 KTCFUVLPOBLSPX-AWEZNQCLSA-N 329.356 0.483 10 10 ECCE NS(=O)(=O)c1sccc1C(=O)NCc1c(O)cccc1O 1635850813 QFJYWPCZEGKQIX-UHFFFAOYSA-N 328.371 0.737 10 10 ECCE CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1[C@H]2CCC(=O)[C@@H]21 1633473208 LIZZPRIEKUHEAK-DPDCMNJDSA-N 347.367 0.913 10 10 ECCE COc1ccc(CN[C@@H](CO)CNC(=O)Cn2ccnc2)cc1C 1734385333 IPVLAIMWSVGONJ-OAHLLOKOSA-N 332.404 0.467 10 10 ECCE COCCC(=O)N1CC[C@@H](NC(=O)c2cc(OC)nc(OC)c2)C1 1758235435 QYRQZRWHPCXVSD-GFCCVEGCSA-N 337.376 0.466 10 10 ECCE CN1CCCc2cc(CNC(=O)C(=O)N3C[C@H]4C[C@]4(CO)C3)ccc21 1321996292 CTSGWAGCFFZNAX-DNVCBOLYSA-N 343.427 0.526 10 10 ECCE COc1cccc(CNC(=O)CCn2nc3ccccn3c2=O)c1O 111597797 RTRHKISCDXPVKS-UHFFFAOYSA-N 342.355 0.917 10 10 ECCE CN(Cc1ccc(N(C)C)cc1)C(=O)CN1CCN2CCOC[C@@H]2C1 368821699 COMHPOLTVMKIQJ-SFHVURJKSA-N 346.475 0.727 10 10 ECCE COc1ccnc(N2CCN(C(=O)c3c(F)ccc(O)c3O)CC2)n1 276576976 LAHPWJYAQDVYOD-UHFFFAOYSA-N 348.334 0.998 10 10 ECCE Cn1nccc1CNC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 284088796 MEXXHUNXUGXCET-UHFFFAOYSA-N 339.399 0.729 10 10 ECCE CC(=O)C(=O)COC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccs1 808511072 UPHCLJOZUHDVDY-JTQLQIEISA-N 345.398 0.603 10 10 ECCE CC(=O)N1CCN(c2ccc(CNC(=O)OC3COC3)cc2)CC1 902924243 FIZLQAJKEOGULI-UHFFFAOYSA-N 333.388 0.980 10 10 ECCE CC[C@H](CNC(=O)C(=O)NCc1ccc(N(C)C)c(F)c1)C(=O)O 927942029 UUCGNHRWEFVJAZ-LLVKDONJSA-N 339.367 0.735 10 10 ECCE COc1ccc(N2CC[C@@H](NC(=O)CCn3ncn(C)c3=O)C2)cc1 855223555 BUYSACMJSUKAHQ-CYBMUJFWSA-N 345.403 0.376 10 10 ECCE COC(=O)Cn1cc(S(=O)(=O)Nc2ccc(O)c(OC)c2)cn1 797820061 DNFMQBCHQKYIGL-UHFFFAOYSA-N 341.345 0.571 10 10 ECCE CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N(C)[C@H]1C[C@@H](C(N)=O)C1 1331464552 NXKGPUOIMDYBNY-OTVXOJSOSA-N 346.431 0.433 10 10 ECCE CCOC(=O)c1cnn2c(O)cc(CN3CC[C@H](C)[C@H](O)C3)nc12 1616822843 BKRPSCJTIFHOQQ-GXFFZTMASA-N 334.376 0.814 10 10 ECCE CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@@H]1CCS(=O)(=O)N1 1540488268 LHJSGLAFYKTJFB-HNNXBMFYSA-N 337.445 0.937 10 10 ECCE CC(=O)N[C@@H]1[C@H](OCc2ccccc2)O[C@H](CO)[C@H](O)[C@@H]1N=[N+]=[N-] 1615948436 KSACWSAOWIMDGY-NIFZNCRKSA-N 336.348 0.465 10 10 ECCE COc1ccc(CNC[C@H](C)NC(=O)CN2CCNC(=O)C2)cc1C 1483255486 RLFUBHSZLGMUMU-AWEZNQCLSA-N 348.447 0.030 10 10 ECCE COC(=O)CCN1CCN(C(=O)Cc2ccc(O)c(O)c2)[C@@H](C)C1 1632909264 GEMQQGUZQQUELM-LBPRGKRZSA-N 336.388 0.736 10 10 ECCE CC(C)n1cc(CNC(=O)Cc2ccc(O)c(O)c2)c(O)nc1=O 1644310073 PVODLPNUSSDGIJ-UHFFFAOYSA-N 333.344 0.800 10 10 ECCE COCCC(=O)NC1CCN(C(=O)c2cc(O)c(O)c(O)c2)CC1 169871935 XULWTJYBJBXENW-UHFFFAOYSA-N 338.360 0.561 10 10 ECCE N[C@H]1C(=O)Nc2cc(N3CCOC[C@H](O)C3)c(Br)cc21 399879086 SKRVWEZTWMBXJH-JMCQJSRRSA-N 342.193 0.599 10 10 ECCE NC(=O)[C@H]1C[C@H](N)CN(Cc2ccc(Br)cc2O)C1 2094658501 HSQRYQFXYLJQBT-ONGXEEELSA-N 328.210 0.789 10 10 ECCE CS(=O)(=O)C1=CC(C(=O)Nc2nc(-c3ccncc3)n[nH]2)=S=C1 367779718 OPLRPEOQFZYKFS-UHFFFAOYSA-N 349.397 0.455 10 10 ECCE NS(=O)(=O)C[C@@H]1CCCN(Cc2cc3c(cc2O)OCO3)C1 271207531 WMEZAZLZFXJRBM-SNVBAGLBSA-N 328.390 0.621 10 10 ECCE NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)[C@@H]3COC(=O)N3)cc2)C1 858669386 MDEWGYHSGFLLKI-JSGCOSHPSA-N 346.387 0.113 10 10 ECCE CC(C)(C)OC(=O)[C@@](C)(O)CNC(=O)Cc1ccc(O)c(O)c1 1138118044 ZYWONFXWDBCGJI-INIZCTEOSA-N 325.361 0.849 10 10 ECCE CCCNCc1ccc(N2CC(O)(C(N)=O)C2)cc1Br 1915250177 KXXROBOBCNUCPU-UHFFFAOYSA-N 342.237 0.985 10 10 ECCE COCCC(=O)NC[C@@H](C)NC(=O)c1cc(OC)nc(OC)c1 1526320877 NOFQCPHOMTYFDO-SNVBAGLBSA-N 325.365 0.370 10 10 ECCE CNCc1ccc(N2C[C@H](O)[C@@H](O)[C@@H]2CO)c(Br)c1 2136340711 JIFDCJOEIZOOHU-AVGNSLFASA-N 331.210 0.071 10 10 ECCE COc1cc(C(=O)N[C@H](C)CNC(=O)c2cn[nH]c2)cc(OC)n1 1704012218 RARUCKFDBOLPIY-SECBINFHSA-N 333.348 0.370 10 10 ECCE COc1ccc(CNC[C@@H](O)CNC(=O)C2CCOCC2)cc1C 1716077131 LZQUPNGWZKDGCK-MRXNPFEDSA-N 336.432 0.997 10 10 ECCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Cc1ccc(C(N)=O)nc1 1633818072 DIYNVHWKFKHXHQ-SNVBAGLBSA-N 329.356 0.882 10 10 ECCE CN1C[C@H](C(=O)O)N(Cc2cc(Br)ccc2O)CC1=O 1968209376 VUJPPTBANGHLHH-SNVBAGLBSA-N 343.177 0.882 10 10 ECCE CC(C)(C)OC(=O)N1Cc2nncn2C[C@@H]1C(=O)NCCN=[N+]=[N-] 2010391364 PPFULVOOYGATHC-SECBINFHSA-N 336.356 0.824 10 10 ECCE CCOC(=O)c1cnn2c(O)cc(CN3CCC[C@H](O)[C@@H]3C)nc12 295837573 CTLDWOQWEFYCTE-GWCFXTLKSA-N 334.376 0.957 10 10 ECCE C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)/C=C\c1ccc(O)c(O)c1 844033277 GJAYLBSDQLFPJV-HWPRWLFBSA-N 333.388 0.689 10 10 ECCE CN(C)c1ccc(CNS(=O)(=O)C[C@H]2CNCCO2)cc1F 866748501 TZSMCKRMNIGLLY-GFCCVEGCSA-N 331.413 0.300 10 10 ECCE CCN1C[C@H](S(=O)(=O)NCc2cc(OC)ccc2O)CC1=O 866850358 SVBKUHVJBIPUMT-GFCCVEGCSA-N 328.390 0.441 10 10 ECCE O=C1COc2cc([N+](=O)[O-])c(N3CCN(C4CC4)C(=O)C3)cc2N1 761907832 QVWUOYIQVNMUOM-UHFFFAOYSA-N 332.316 0.737 10 10 ECCE O=C(C(=O)N1CCC[C@@]12CCOC2=O)N1Cc2cccc(O)c2C1 1329425944 FSJFRKXKXUYMJL-KRWDZBQOSA-N 330.340 0.543 10 10 ECCE CCNCc1ccc(N2C[C@H](O)[C@@H](O)[C@H]2CO)c(Br)c1 2201031591 AMYYHSQGPUNOSP-RDBSUJKOSA-N 345.237 0.461 10 10 ECCE Oc1ccccc1CN[C@@H]1[C@H]2CO[C@H](O2)[C@H](N2CCCCC2)[C@H]1O 12529612 RTDMFQKCLDHULZ-HSFUPAIVSA-N 334.416 0.821 10 10 ECCE biogenic CC(=O)C(=O)COC(=O)CNS(=O)(=O)/C=C\c1ccccc1 808496041 XVJZEBZDMAUJQH-FPLPWBNLSA-N 325.342 0.278 10 10 ECCE C[C@@H]1C(=O)N(C)CN1C(=O)C(=O)NCc1ccc(N(C)C)c(F)c1 834677824 NMRIZHWKZSKHNT-SNVBAGLBSA-N 336.367 0.155 10 10 ECCE O=C1CN(CC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)C(=O)N1 735518396 UVRXVQWZRQUFQZ-CYBMUJFWSA-N 347.371 0.452 10 10 ECCE COc1cc(O)c(CN2CN(CCN(C)C)C(=O)[C@H]2C)cc1OC 843428015 FKCWNNFJDGNDAK-GFCCVEGCSA-N 337.420 0.961 10 10 ECCE CCN(C(=O)c1cc(NS(C)(=O)=O)ccc1O)[C@@H]1CCN(C)C1 855360281 JYKHNBIXSOIQHX-GFCCVEGCSA-N 341.433 0.930 10 10 ECCE COc1ccc(CNC(=O)[C@@](C)(O)Cn2ccccc2=O)c(O)c1 794389905 SBZINYCEHBKHPD-KRWDZBQOSA-N 332.356 0.630 10 10 ECCE NC(=O)CCCC(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 1155604201 PSWOOCPBURIIDK-UHFFFAOYSA-N 346.431 0.660 10 10 ECCE O=C(Cn1nc2n(c1=O)CCCCC2)NCc1c(O)cccc1F 1262209356 HTNBGVNQLGBITN-UHFFFAOYSA-N 334.351 0.932 10 10 ECCE C[C@@H](O)[C@@H](NC(=O)C1CCCC1)C(=O)NCc1ccc(O)cc1O 1626837910 JWEKOABVPWVLQQ-MEBBXXQBSA-N 336.388 0.770 10 10 ECCE COCC(=O)NC[C@@H]1CCN1C(=O)c1ccc(N=NC(N)=O)cc1 1759806955 AYKNPSHCKAEKIO-LBPRGKRZSA-N 333.348 0.826 10 10 ECCE CCN(CC)c1ccc(CNCC(=O)N2CCN(CCO)CC2)cc1 1857866459 MFEUHGUWWZTKCB-UHFFFAOYSA-N 348.491 0.759 10 10 ECCE CC(C)(C)OC(=O)N[C@H](CC(N)=O)C(=O)NCC1(CN=[N+]=[N-])CC1 2010403644 HKJDBLQYEVZWJW-SECBINFHSA-N 340.384 0.962 10 10 ECCE CCNCc1ccc(N2C[C@H](O)[C@H](O)[C@H]2CO)cc1Br 2201037713 VWUBSZKUDQSHKJ-HZSPNIEDSA-N 345.237 0.461 10 10 ECCE CNCc1ccc(N2CC[C@](O)(CO)[C@H](O)C2)c(Br)c1 2234095799 HIGCECZQGMNECV-KGLIPLIRSA-N 345.237 0.463 10 10 ECCE CC(C)(C)OC(=O)NC(CO)(CO)C(=O)N[C@@H]1CCC[C@H]1N=[N+]=[N-] 2303916534 SBIJFLBGZXDBCF-NXEZZACHSA-N 343.384 0.582 10 10 ECCE CC(C)(C)OC(=O)NC(CO)(CO)C(=O)N1CCC[C@@H]1CN=[N+]=[N-] 2303916187 NAZQUPVJXWEDCP-SNVBAGLBSA-N 343.384 0.536 10 10 ECCE CN(C)c1ccc(CNC(=O)CN2CC[C@H](N3CCOCC3)C2)cc1 173984758 JLLUGFHTXVFRRV-SFHVURJKSA-N 346.475 0.775 10 10 ECCE CCCC[C@]1(C(=O)O)N[C@H](c2ccc(O)c(O)c2)[C@@H]2C(=O)NC(=O)[C@@H]21 248189668 JWHCPDWLCUWCPE-ZFRZLUBXSA-N 348.355 0.645 10 10 ECCE C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N(C)Cc1ccccc1O 1328769832 FHWONYAOYBSUML-AAEUAGOBSA-N 335.404 0.580 10 10 ECCE COc1ccc(N2CC[C@H](Nc3cc(=O)n(C)c(=O)n3C)C2)cc1 853760586 KLDMXGDBKAWMFF-LBPRGKRZSA-N 330.388 0.783 10 10 ECCE CCN1C[C@H](S(=O)(=O)NCc2ccc(N(C)C)c(F)c2)CC1=O 866671932 CTAMBWXYYUHTJC-GFCCVEGCSA-N 343.424 0.932 10 10 ECCE Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NCC1(N)CCOCC1 861750393 IUNZCNTXXPILEE-UHFFFAOYSA-N 348.447 0.301 10 10 ECCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CCc2nnc(O)n2C1 1138153171 ZIFORUZJXNNWFR-MWLCHTKSSA-N 332.360 0.705 10 10 ECCE CC[C@H](CNC(=O)CNC(=O)NC)NCc1ccc(OC)c(C)c1 1269412809 LQIVLIUNIDCPPY-CQSZACIVSA-N 336.436 0.917 10 10 ECCE CNC(=O)[C@H](C)NC/C=C\CNC(=O)c1ccc(N=NC(N)=O)cc1 1716383197 VLDKMIPPFWZNJO-ZPNIBPQJSA-N 346.391 0.859 10 10 ECCE Nc1ncnc2c1ncn2CCC(=O)NCc1cc(O)ccc1O 1643881766 DLDCQPQQDCBWAO-UHFFFAOYSA-N 328.332 0.526 10 10 ECCE CN(Cc1ccc(N(C)C)cc1)C(=O)c1c[nH]nc1S(N)(=O)=O 1587404456 GUZMSQYDKHPTBI-UHFFFAOYSA-N 337.405 0.395 10 10 ECCE Cn1nc(Br)c(CNCc2ccc(O)c(O)c2O)n1 2226971435 CHKCMMYRLZUNQG-UHFFFAOYSA-N 329.154 0.984 10 10 ECCE O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/Nc1nn[nH]n1 101346789 VWSWQCSCDPRATB-VMPITWQZSA-N 333.695 0.432 10 10 ECCE CN(C)CCCN(C)C(=O)C(=O)NCc1ccc(N(C)C)c(F)c1 803662523 XCBPFNMQCXBQSD-UHFFFAOYSA-N 338.427 0.918 10 10 ECCE CC(C)(C)OC(=O)N[C@@H](CS(C)(=O)=O)C(=O)N1CC(N=[N+]=[N-])C1 1899534048 DWXSUMHEVGEHKH-VIFPVBQESA-N 347.397 0.445 10 10 ECCE NS(=O)(=O)c1cccc(CNC(=O)Cc2ccc(O)c(O)c2)c1 1136201307 DXGDRALRXZLUKC-UHFFFAOYSA-N 336.369 0.604 10 10 ECCE C[C@H]1CN(C(=O)C2=CC=CN3CCS(=O)(=O)N=C23)c2ccnn2C1 893905589 QTWPJLZPYWXDIU-NSHDSACASA-N 347.400 0.363 10 10 ECCE COC(=O)[C@@H]1CCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)[C@H]1C 1329493990 KAWPUFZSHQPSNT-CMPLNLGQSA-N 332.356 0.644 10 10 ECCE CS(=O)(=O)NC[C@H]1CCN(C(=O)c2c(F)ccc(O)c2O)C1 1184226276 PRBXTDALDWMAFH-MRVPVSSYSA-N 332.353 0.248 10 10 ECCE COc1ncc(/C=C/C(=O)N2CCCc3ccc(C(N)=O)nc32)cn1 1616794202 IBXYGPDLOLNHJY-QPJJXVBHSA-N 339.355 0.972 10 10 ECCE C[C@@H](NC(=O)NCCNS(=O)(=O)N(C)C)c1ccccc1O 1470252263 AIFCTAITPJPJBZ-SNVBAGLBSA-N 330.410 0.148 10 10 ECCE CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)NCCCN=[N+]=[N-])[C@H](O)C1 2020687070 BRTDMOFMXMWQQR-QMTHXVAHSA-N 343.384 0.536 10 10 ECCE OCc1ccc(N2CCN(C[C@H](O)CO)CC2)cc1Br 2178034674 IHJREYXNCPTJBA-ZDUSSCGKSA-N 345.237 0.417 10 10 ECCE CC(C)N1CCc2cc(CN3CCN4C(=O)CNC(=O)[C@H]4C3)ccc21 106266560 QHRBZFHIZPQKMS-QGZVFWFLSA-N 342.443 0.600 10 10 ECCE CCN(C(=O)Nc1cc(O)c(O)c(O)c1)[C@H]1CCS(=O)(=O)C1 217278842 WTMHHTHWEMLSTH-VIFPVBQESA-N 330.362 0.844 10 10 ECCE CN(C)c1ccc(CNC(=O)C(=O)NC[C@H]2C[C@@H](N(C)C)C2)cc1 848929069 CONFPNUAFIXHAI-FZNQNYSPSA-N 332.448 0.825 10 10 ECCE CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CC[C@@]3(O)C[C@H]3C2)c1 1300852384 AVRYHIQDFOMYAA-LKFCYVNXSA-N 326.374 0.361 10 10 ECCE COc1ccc(CNC/C=C/CNC(=O)[C@H]2COC(=O)N2)cc1C 1268534020 BFUJNKYHFIYVKR-RDFMZFSFSA-N 333.388 0.874 10 10 ECCE COc1ccc(CN[C@H](C)[C@H](C)NC(=O)Cn2ncnn2)cc1C 1282128416 KKASOLQDDKJBPO-OLZOCXBDSA-N 332.408 0.673 10 10 ECCE COc1cc(C(=O)N[C@H](C)CNC(=O)c2cnon2)cc(OC)n1 1526909753 KZHCYDNSIRMYQV-MRVPVSSYSA-N 335.320 0.030 10 10 ECCE O=C(c1cccc(O)c1O)N1CCS(=O)(=O)[C@@H]2COCC[C@@H]21 1468854382 SBHGCRVFUWCJAP-CMPLNLGQSA-N 327.358 0.126 10 10 ECCE NC(=O)C1(C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)CC1 1556946739 WVCVHNKGIDUQQD-UHFFFAOYSA-N 339.342 0.683 10 10 ECCE COc1ccc(CN[C@@H](CO)CNC(=O)c2n[nH]cc2F)cc1C 1734375241 DBRGBBFGLGIQJT-GFCCVEGCSA-N 336.367 0.746 10 10 ECCE CN1C[C@@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2O)C(C)(C)C1 1645240679 KPEQSDAIQCKRAF-CYBMUJFWSA-N 341.433 0.834 10 10 ECCE COc1ccc(N2C[C@H](O)[C@@H](O)[C@H]2CO)c(OC)c1Br 2234900929 ADAGZNAVYVNWPS-PTRXPTGYSA-N 348.193 0.369 10 10 ECCE Cc1c(Cl)c([N+](=O)[O-])nn1CC(=O)NN1C(=O)CSC1=S 3912901 KFEOBQOAJIOQSN-UHFFFAOYSA-N 349.781 0.645 10 10 ECCE [N-]=[N+]=N[C@@H]1[C@H](Oc2ccc([N+](=O)[O-])cc2F)O[C@H](CO)[C@H](O)[C@@H]1O 504817749 VGSOOKDSKZDDNJ-YBXAARCKSA-N 344.255 0.231 10 10 ECCE CCCC[C@]1(C(=O)O)N[C@H](c2ccc(O)c(O)c2)[C@@H]2C(=O)NC(=O)[C@H]21 248189670 JWHCPDWLCUWCPE-ZHRONYKTSA-N 348.355 0.645 10 10 ECCE CN(CC1(CO)CC1)C(=O)c1cc(NS(C)(=O)=O)ccc1O 275892062 QVJWFHMJKGCXOO-UHFFFAOYSA-N 328.390 0.608 10 10 ECCE O=C1N[C@H](C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)CO1 283534806 UAOYNUNPRBBKRC-ZDUSSCGKSA-N 337.351 0.511 10 10 ECCE CS(=O)(=O)NC[C@H]1CCC[C@H]1NCc1cc2c(cc1O)OCO2 800308922 DYJHFEZCOGAKAR-ZYHUDNBSSA-N 342.417 0.928 10 10 ECCE COc1ccc(O)c(CN[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)c1 809726416 IXGMHBXCBWPDKE-CYBMUJFWSA-N 343.449 0.761 10 10 ECCE NC[C@@H]1CC(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)=NO1 852859916 DWDCEPUCSLEBDR-LBPRGKRZSA-N 336.367 0.382 10 10 ECCE COc1ccc(N2CCN(C(=O)COC(=O)C3COC3)CC2)cc1 785771755 DXGCXXUAVRLWGH-UHFFFAOYSA-N 334.372 0.533 10 10 ECCE CCOC(=O)N1C[C@@H](NC(=O)c2ccc(C)c(O)c2O)[C@H](CO)C1 1603663583 JUOVYVPJWUBTCK-CMPLNLGQSA-N 338.360 0.585 10 10 ECCE Cc1ccc(CN(CC(N)=O)CC(N)=O)c(O)c1Br 2352610418 HWBCRMHEAKSIMU-UHFFFAOYSA-N 330.182 0.236 10 10 ECCE CN(Cc1cnccn1)C(=O)C(=O)NCc1ccc(N(C)C)c(F)c1 285767750 RTUBJZVTPZSNFJ-UHFFFAOYSA-N 345.378 0.957 10 10 ECCE NC(=O)NC1(C(=O)NCc2cc(Br)ccc2O)CC1 804738626 XSEGVOUUBDIWMU-UHFFFAOYSA-N 328.166 0.972 10 10 ECCE CN1C[C@@H](C(=O)NCc2ccc(N3CCC(O)CC3)cc2)NC1=O 856208341 CUCLANLAOUQNEL-HNNXBMFYSA-N 332.404 0.288 10 10 ECCE COC(=O)[C@@]1(CNCc2c(C)cccc2O)C[C@@H]1S(C)(=O)=O 895510047 GUJDKKBKTAINND-DZGCQCFKSA-N 327.402 0.767 10 10 ECCE COc1ccc(CNC[C@H](O)CNC(=O)C[C@@H]2CCC(=O)N2)cc1C 1320286633 NECJXMLQXWVDKZ-GJZGRUSLSA-N 349.431 0.239 10 10 ECCE C/C=C(\C)C(=O)NC[C@H](CO)NC(=O)c1cc(OC)nc(OC)c1 1281073634 MKWBUEBWZDKQGN-SBKJXLNCSA-N 337.376 0.272 10 10 ECCE NC(=O)N=Nc1ccc(C(=O)NC[C@@H](CO)NC[C@H]2CCOC2)cc1 1725550104 AJAXPMKFLBDJPL-RISCZKNCSA-N 349.391 0.566 10 10 ECCE CC(C)(C(N)=O)C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 1638488356 GEYAHTZQRPTDTD-UHFFFAOYSA-N 346.431 0.516 10 10 ECCE CCCCNC(=O)CN1C(=O)COc2ccc(N3CCNCC3)cc21 31947235 VYZOIDPGXBVFEU-UHFFFAOYSA-N 346.431 0.738 10 10 ECCE CN(C)CCCNC=C1C(=O)NC(=O)N(Cc2ccccc2)C1=O 2295923716 KTJWSUYOAIJFRY-UHFFFAOYSA-N 330.388 0.690 10 10 ECCE CCOc1ccc(O)c(CN2CCS(=O)(=O)C[C@@H]2C(=O)OC)c1 276736087 HZCVMQJOKMZJGW-CYBMUJFWSA-N 343.401 0.563 10 10 ECCE COC(=O)[C@@H]1C[C@H](O)CN1Cc1ccc([N+](=O)[O-])c(OC)c1O 278335362 HEGPRBUFBMHUPV-ONGXEEELSA-N 326.305 0.417 10 10 ECCE Cc1cc(N(C)C)ccc1CNC(=O)[C@H]1CCN=C2C1=NNN2C 827958165 ZLERLUPFQMNPCK-AWEZNQCLSA-N 328.420 0.902 10 10 ECCE COc1ccc(N2CC[C@@H](N3C(=O)[C@H]4COCCN4C3=O)C2)cc1 849357149 KGZFDLRFRGHYKR-UKRRQHHQSA-N 331.372 0.937 10 10 ECCE CCN1C[C@@H](S(=O)(=O)NCc2ccc(OC)cc2O)CC1=O 867217794 QAISAVSEGPQVNR-LBPRGKRZSA-N 328.390 0.441 10 10 ECCE Cn1cc(/C=C/C(=O)N2CCc3c(F)cccc32)c(=O)n(C)c1=O 183837641 PHNXNQIYZYVJHW-VOTSOKGWSA-N 329.331 0.826 10 10 ECCE CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)Cc1ccon1 1254760757 HJOFRTUGGJBJCE-LBPRGKRZSA-N 334.328 0.919 10 10 ECCE COCc1nc2n(n1)C[C@@H](NC(=O)Cc1ccc(O)c(O)c1)CC2 1465839001 HBNLVIPWBABKNK-NSHDSACASA-N 332.360 0.509 10 10 ECCE COc1ccc(CN[C@@H](CO)CNC(=O)CN2CCCC2)cc1C 1486061874 RTQGOKBKLJXZKY-MRXNPFEDSA-N 335.448 0.666 10 10 ECCE COC[C@H](O)CN1CC[C@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 1499130793 CHRIMHALVGCTCD-UONOGXRCSA-N 349.391 0.660 10 10 ECCE CNC(=O)NC[C@H]1COCCN1C(=O)c1ccc(N=NC(N)=O)cc1 1644192446 FJAUYXHMBWBCAT-LBPRGKRZSA-N 348.363 0.619 10 10 ECCE CC(=O)N(C)C1CCN(C(=O)c2cnn3c(O)cc(C)nc23)CC1 2064079834 FFSJWOBRCGKROO-UHFFFAOYSA-N 331.376 0.826 10 10 ECCE Nc1ccc(OCCS(=O)(=O)NCC2CC3(C2)OCCO3)cc1 2191781799 PRDFXYWCQPOXME-UHFFFAOYSA-N 342.417 0.720 10 10 ECCE CSc1ncc(CNS(=O)(=O)N2CCC(CN)CC2)s1 2284693684 YVMWLMVTBPMPMJ-UHFFFAOYSA-N 336.508 0.870 10 10 ECCE O=C(CN1C(=O)CSC1=S)N1CC[C@H](Oc2cnccn2)C1 219918469 KPLPKXXTOZGWBQ-VIFPVBQESA-N 338.414 0.317 10 10 ECCE NC(=O)NC1CN(c2cc3c(cc2Br)[C@H](N)C(=O)N3)C1 2163216703 NXLMSAMGGKANSM-JTQLQIEISA-N 340.181 0.258 10 10 ECCE O=S1(=O)CCCN1CCCNCc1cc2c(cc1O)OCO2 729684351 SPXBKEWCRSWZDS-UHFFFAOYSA-N 328.390 0.636 10 10 ECCE COc1ccc(N2CCN(CCCNC(=O)NCCCN)CC2)cc1 841664865 DQTCLKQFCQBZTA-UHFFFAOYSA-N 349.479 0.855 10 10 ECCE COc1ccc(N2CC[C@@H](N3C(=O)N[C@H](CN(C)C)C3=O)C2)cc1 924978660 NXRVKBUDSBEHIM-UKRRQHHQSA-N 332.404 0.756 10 10 ECCE COc1ccc(N2CC[C@H](NC(=O)c3nccnc3C(N)=O)C2)cc1 855231442 MTEXQOMBTPKZJE-NSHDSACASA-N 341.371 0.593 10 10 ECCE COc1ccc(N2CC[C@@H](NC(=O)C(=O)N[C@@H](CN)C3CC3)C2)cc1 851688944 HQIRTXABRMNNQT-CJNGLKHVSA-N 346.431 0.244 10 10 ECCE CC(=O)C(=O)COC(=O)[C@@]1(C)CN(C(=O)OC(C)(C)C)CCO1 869579739 IVKPSTXTKAMOHC-OAHLLOKOSA-N 329.349 0.714 10 10 ECCE COc1cccc([C@@H](C)NC[C@]23COCCN2C(=O)COC3)c1O 866554948 PAZYCNDHZPRLAJ-SJKOYZFVSA-N 336.388 0.679 10 10 ECCE CN(CCNCc1ncnn1C)C(=O)c1ccc(N=NC(N)=O)cc1 1267137516 RNTZJOOISAMSFW-UHFFFAOYSA-N 344.379 0.839 10 10 ECCE O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1nnc(O)nc1O 1544676519 KUCDVBUXYGFFLL-UHFFFAOYSA-N 349.322 0.189 10 10 ECCE C[C@H](O)c1ccc(N2C[C@H](O)[C@@H](O)[C@@H](CO)C2)c(Br)c1 2289358142 OTRZGXDWXMRQAL-HNGHSSNUSA-N 346.221 0.653 10 10 ECCE CCOC(=O)c1cnn2c(O)cc(CN3CCN4CCC[C@H]4C3)nc12 246220152 BGTWHIWDIBYAJU-ZDUSSCGKSA-N 345.403 0.892 10 10 ECCE COC(=O)[C@H]1CN(C(=O)NCc2ccc(N(C)C)c(F)c2)CCO1 728746699 AXROEZHZAKNXAL-CQSZACIVSA-N 339.367 0.975 10 10 ECCE CC(C)OC[C@H](CO)N(C)C(=O)C(=O)N1Cc2cccc(O)c2C1 1351923648 WMAOELBZYLATPA-ZDUSSCGKSA-N 336.388 0.479 10 10 ECCE COc1ccc(CNC[C@@H](O)CN(C)C(=O)Cn2cncn2)cc1C 1284457714 UPZPFRJSRIJMHD-OAHLLOKOSA-N 347.419 0.204 10 10 ECCE CN(C[C@@H](O)CNC(=O)c1ccc(N=NC(N)=O)cc1)C(=O)C1CC1 1511463986 AMZHFOUEZDAHNO-ZDUSSCGKSA-N 347.375 0.808 10 10 ECCE CS(=O)(=O)N1CCN(c2ccc(CN)c(Br)c2)CC1 228152087 UKSLDAMEEHIMNP-UHFFFAOYSA-N 348.266 0.989 10 10 ECCE COc1ccc(CNC[C@H](O)CNC(=O)c2n[nH]cc2C)cc1C 1496981656 SZFWYQXMRCGAET-AWEZNQCLSA-N 332.404 0.916 10 10 ECCE COc1cc(C(=O)N[C@@H](CO)CNC(=O)C=C(C)C)cc(OC)n1 1738863915 AZEIUFYWBKRYRI-GFCCVEGCSA-N 337.376 0.272 10 10 ECCE CCOCC(=O)NC[C@H](C)NC(=O)c1cc(OC)nc(OC)c1 1758770382 FZYDSHCQGMCHAX-JTQLQIEISA-N 325.365 0.370 10 10 ECCE NS(=O)(=O)CCCNC(=O)NCc1ccc(N2CCCC2)cc1 1686913875 HPPKZOSMFUXYJF-UHFFFAOYSA-N 340.449 0.765 10 10 ECCE C[C@@H](CCN[C@H]1CCNC1=O)NC(=O)c1ccc(N=NC(N)=O)cc1 1699165894 RXTJYRIJBHYOSO-GWCFXTLKSA-N 346.391 0.836 10 10 ECCE CN(CCCN=[N+]=[N-])C(=O)[C@@H]1CNC(=O)CN1C(=O)OC(C)(C)C 2010403479 DZHSPZPBXBMQHZ-JTQLQIEISA-N 340.384 0.881 10 10 ECCE COc1ccc(N2CCN(CCNC(=O)C3(C)COC3)CC2)cc1 272770090 BXBDOAAERIOKOL-UHFFFAOYSA-N 333.432 0.970 10 10 ECCE CC(=O)C(=O)COC(=O)/C(=C/c1cccc(F)c1)n1nnnc1C 808493396 CGLUYWUVUVVDSS-QPEQYQDCSA-N 332.291 0.820 10 10 ECCE COC(=O)CCNC(=O)CCNCc1cc([N+](=O)[O-])ccc1O 858293004 PSUWBXQROASCNJ-UHFFFAOYSA-N 325.321 0.459 10 10 ECCE NS(=O)(=O)C1(CNC(=O)/C=C/c2ccc(O)c(O)c2)CCC1 1178008700 DVNDGZHHYUCLGR-HWKANZROSA-N 326.374 0.438 10 10 ECCE COc1ccc(CCNC(=O)C(=O)NCCc2ccc(N)cc2)cn1 1261822063 QKYZITRMCQDGOX-UHFFFAOYSA-N 342.399 0.690 10 10 ECCE CC(=O)N[C@@H]1[C@H](OCc2ccccc2)O[C@H](CO)[C@@H](O)[C@@H]1N=[N+]=[N-] 1615948438 KSACWSAOWIMDGY-UXXRCYHCSA-N 336.348 0.465 10 10 ECCE O=C(CNS(=O)(=O)c1cccs1)NCc1ccc(O)cc1O 1630301903 MMJNNJDAXSBXRQ-UHFFFAOYSA-N 342.398 0.754 10 10 ECCE NC(=O)N[C@@H]1CCN(C(=O)/C=C/c2ccc(N3CCOCC3)cc2)C1 270628658 LEUYNXCXTOECHZ-YFCVBGDOSA-N 344.415 0.806 10 10 ECCE C[C@@H]1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)CC(=O)N1C 282318989 JNHGUGJRWSWROL-SECBINFHSA-N 341.389 0.066 10 10 ECCE CS(=O)(=O)Nc1ccc(O)c(C(=O)N2[C@H]3CC[C@H]2[C@H](CO)C3)c1 292538028 RPDMAOXMEPVIBM-GAFUQQFSSA-N 340.401 0.749 10 10 ECCE COC(=O)c1ccc(Cl)cc1NC=C1C(=O)NC(=S)NC1=O 920978820 SGRAGINNSTXMPY-UHFFFAOYSA-N 339.760 0.953 10 10 ECCE COc1ccc(N2CC[C@@H](NC(=O)NCC(C)(CO)CO)C2)cc1 1123659244 FYONDAJDZRIFID-CYBMUJFWSA-N 337.420 0.564 10 10 ECCE O=C(NCc1cc(O)ccc1O)[C@H]1COCCN1CC(F)(F)F 1303226092 WIBFWDWWQHHYBV-LLVKDONJSA-N 334.294 0.977 10 10 ECCE CN(C)c1ccc(CNC(=O)c2cn(C[C@H]3CNC(=O)O3)nn2)cc1 1531322467 XFXVIHQYJWWCQQ-CYBMUJFWSA-N 344.375 0.383 10 10 ECCE Cc1cc(NCCNC(=O)Cc2ccc(O)c(O)c2)n2ncnc2n1 1621055489 DJEZEPXHRQGZBA-UHFFFAOYSA-N 342.359 0.615 10 10 ECCE CCOC(=O)N1C[C@H](CO)[C@H](NC(=O)Cc2ccc(O)c(O)c2)C1 1647737421 CJIYZOPQNWLEHY-VXGBXAGGSA-N 338.360 0.206 10 10 ECCE CN[C@H]1C(=O)Nc2cc(N(C)C(CO)CO)c(Br)cc21 380791977 VHPUTYWRSPXMQT-GFCCVEGCSA-N 344.209 0.451 10 10 ECCE O=C(Cc1ccc(O)c(O)c1)NCCn1ncc(Br)n1 2179690115 QHDHXXMEHUTTSU-UHFFFAOYSA-N 341.165 0.811 10 10 ECCE CCOc1cc(C=C2C(=O)NC(=O)N(C)C2=O)cc([N+](=O)[O-])c1O 2296606513 JYRRXPCYOSXJHO-UHFFFAOYSA-N 335.272 0.791 10 10 ECCE C[C@@H](N)c1ccc(N2C[C@H](O)[C@@H](O)[C@H](CO)C2)c(Br)c1 2289487579 HNIKEILZJKLKDY-WNIABHAQSA-N 345.237 0.619 10 10 ECCE COCCCNC(=O)CC(=O)N1CCN(c2ccc(OC)cc2)CC1 242472150 BSCADDKBAAJPFG-UHFFFAOYSA-N 349.431 0.887 10 10 ECCE CSc1ncc(CN[C@]2(C(=O)O)CCS(=O)(=O)[C@@H]2C)s1 2374239547 AUYFROUOXUSMMQ-RDDDGLTNSA-N 336.460 0.985 10 10 ECCE NC(=O)NC1CCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CC1 811810373 KKPVEOLSMIZJBY-UHFFFAOYSA-N 335.320 0.563 10 10 ECCE CCOc1ccc(O)c(CNCC[C@@H]2CNCCS2(=O)=O)c1 903969311 WLUYMTFEWCMOPI-CQSZACIVSA-N 328.434 0.657 10 10 ECCE CN1CCN(c2ccc(CNC(=O)[C@@]3(C)C[C@H](O)CN3C)cc2)CC1 918829664 DWNYJPAJTHECTH-PKOBYXMFSA-N 346.475 0.510 10 10 ECCE COc1cccc([C@@H](C)NC2CN(S(=O)(=O)N(C)C)C2)c1O 858571945 MWXJNTNIHXJTFU-SNVBAGLBSA-N 329.422 0.542 10 10 ECCE C[C@H](NC(=O)Cn1cnnn1)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 1154669036 OUDLLHWGIBYCML-RYUDHWBXSA-N 345.407 0.121 10 10 ECCE COc1ccc(N2CC[C@H](CNC(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)cc1 1526247539 YILOIBVPVGIGDO-UHOFOFEASA-N 347.415 0.671 10 10 ECCE COc1cc(C(=O)N[C@@H](CO)CNC(=O)C2CC=CC2)cc(OC)n1 1487967118 YOSRYSZCSHXRHV-CYBMUJFWSA-N 349.387 0.272 10 10 ECCE N[C@H](Cc1ccc(O)c(O)c1)C(=O)N[C@H](Cc1ccccc1)C(=O)O 196977218 YYYRSTVQCOXQID-ZIAGYGMSSA-N 344.367 0.780 10 10 ECCE CC(=O)C(=O)COC(=O)c1cc(C)c(C)c(S(=O)(=O)N(C)C)c1 808496714 CVKMBLJYWTZAOR-UHFFFAOYSA-N 341.385 0.869 10 10 ECCE C[C@H]1CN(CCO)CCN1Cc1ccc(N2CCN(C)CC2)cc1 825336870 AEOQEVIGVQQKOB-KRWDZBQOSA-N 332.492 0.937 10 10 ECCE COc1cccc(CNC(=O)/C=C/c2cn(C)c(=O)n(C)c2=O)c1O 769502985 DSADRADGSYACNA-BQYQJAHWSA-N 345.355 0.128 10 10 ECCE COC(=O)[C@]1(O)CCN(Cc2ccc(N3CCN(C)CC3)cc2)C1 895703713 NZYQZYIKGAVASU-SFHVURJKSA-N 333.432 0.548 10 10 ECCE COCc1nc([C@@H]2COCCN2C(=O)c2cccc(O)c2O)no1 790919417 XBRUYXJCNXXPOA-JTQLQIEISA-N 335.316 0.841 10 10 ECCE CCS(=O)(=O)N1CCC(C(=O)NCc2cccc(O)c2O)CC1 1176566500 YQKPNAHOJMBFCA-UHFFFAOYSA-N 342.417 0.776 10 10 ECCE C[C@@H](O)c1ccc(N2C[C@H](O)[C@@H](O)[C@H]2CO)c(Br)c1 2136282598 BXHJQQPTNZDUDG-HPXOCHMKSA-N 332.194 0.405 10 10 ECCE COc1ccc(O)c([C@@H](C)NC(=O)NCc2cn(C)c(=O)nc2O)c1 1471623231 SLGOZQVXVYWJMX-SECBINFHSA-N 348.359 0.761 10 10 ECCE Cn1nnc(Br)c1C(=O)NCc1c(O)cccc1O 1558535866 RBFIESHWNYLCJC-UHFFFAOYSA-N 327.138 0.919 10 10 ECCE COc1ccc(CNC[C@@H](C)NC(=O)C[C@H]2CC(=O)NC2=O)cc1C 1649450800 HLSTXWMIYYVMDT-OCCSQVGLSA-N 347.415 0.651 10 10 ECCE CCOC(=O)[C@H]1CCCN(C(=O)c2nnn(-c3ccc(N)cc3)n2)C1 1857878743 KWEVESTWKLDGOW-NSHDSACASA-N 344.375 0.660 10 10 ECCE CC(C)(C)OC(=O)NCC1(O)CN(C(=O)c2cccc(O)c2O)C1 1965463117 BECQIPBVYGPTDU-UHFFFAOYSA-N 338.360 0.809 10 10 ECCE CC(C)(C)OC(=O)N1CC(O)([C@H](F)C(=O)N2CC(N=[N+]=[N-])C2)C1 1985100097 CYMOPHXGXRAZMJ-SECBINFHSA-N 329.332 0.827 10 10 ECCE C[C@@H]1CN(S(=O)(=O)Nc2ccc(O)cc2C(=O)O)C[C@@H](C)O1 314597065 CGKCLPFNIKAGIN-RKDXNWHRSA-N 330.362 0.856 10 10 ECCE CN(C)c1ccc(CNC(=O)CN2CCO[C@@]3(CCOC3)C2)cc1 185203953 MILHXNCRDGIFMV-SFHVURJKSA-N 333.432 0.860 10 10 ECCE CC(=O)C(=O)COC(=O)CCc1c(C)nc2c(C(N)=O)cnn2c1C 808505783 OTGBIQDRKUQJLH-UHFFFAOYSA-N 346.343 0.079 10 10 ECCE CN(C)[S@@](C)(=O)=NS(=O)(=O)NCc1c(O)cccc1F 921450675 CMLVFIQHXOUHCP-IBGZPJMESA-N 325.387 0.440 10 10 ECCE COc1ccc(N2CC[C@@H](NC(=O)C(=O)NCCCC(=O)O)C2)cc1 851680964 LUZIQKMAYJFYIN-GFCCVEGCSA-N 349.387 0.371 10 10 ECCE CCOC(=O)C[C@H](O)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 855227363 XUNFYIHARHBNPW-WFASDCNBSA-N 336.388 0.704 10 10 ECCE COc1ccc(N2CC[C@H](NC(=O)N3C[C@@H](O)[C@@H](CO)C3)C2)cc1 854297424 NHPKZHFPHIPLFM-DVOMOZLQSA-N 335.404 0.269 10 10 ECCE COCCN1CCCN(C(=O)/C=C\c2ccc(O)c(O)c2)CC1=O 787848487 KGNDOKXBLZOJAO-XQRVVYSFSA-N 334.372 0.818 10 10 ECCE CNC(=O)CN1CCN(c2ccc(CO)cc2Br)CC1 700790354 BOSYEQOMYOHHDO-UHFFFAOYSA-N 342.237 0.809 10 10 ECCE CC(C)n1cnc(NC(=O)C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)n1 1326779652 XMDGYZZNMRSSPE-JTQLQIEISA-N 347.375 0.956 10 10 ECCE CCOC(=O)N1CCN(C(=O)CCN2C(=O)CSC2=S)CC1 1865766075 VEPGYWZALIFSNX-UHFFFAOYSA-N 345.446 0.538 10 10 ECCE NC(=O)[C@@H]1CCCN(CCCNC(=O)Cc2ccc(O)c(O)c2)C1 1626313709 OSFSHWHPIPDABB-CYBMUJFWSA-N 335.404 0.344 10 10 ECCE CC(C)(C)OC(=O)N1CC(=O)NC[C@H]1C(=O)NCc1ccccc1O 1962824286 YQWBEXOWOAKGMH-LBPRGKRZSA-N 349.387 0.744 10 10 ECCE OCc1ccc(N2CC[C@@](O)(CO)[C@@H](O)C2)c(Br)c1 2225722103 PQSAIGBQCAGUPQ-QWHCGFSZSA-N 332.194 0.236 10 10 ECCE O=C(C[C@@H]1NC(=O)NC1=O)NCc1cc(Br)ccc1O 804737157 JUAZRULTBQJUSV-QMMMGPOBSA-N 342.149 0.369 10 10 ECCE C[C@H]1C[C@H](NC(=O)C(=O)NCc2ccc(N(C)C)cc2)c2ncnn21 826707375 SVNHVZSTPSVERC-FZMZJTMJSA-N 342.403 0.783 10 10 ECCE C[C@H](NC(=O)N1CCN(CC(N)=O)C(=O)C1)c1ccc(N(C)C)cc1 838560579 XTYLWJPZPHPROP-LBPRGKRZSA-N 347.419 0.153 10 10 ECCE COc1ccc(N2CC[C@@H](NC(=O)NC[C@@]3(O)CCN(C)C3)C2)cc1 854299351 ORYVJHLATCCYHN-KDOFPFPSSA-N 348.447 0.640 10 10 ECCE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CS(=O)(=O)NC(C)(C)C 773767025 HKKFTJZKGBBIIA-JTQLQIEISA-N 344.433 0.863 10 10 ECCE CS(=O)(=O)Nc1ccc(O)c(C(=O)N[C@@H]2CC[C@H](C(N)=O)C2)c1 1142067079 CKKIEGUZZSOUMB-DTWKUNHWSA-N 341.389 0.148 10 10 ECCE COc1ccc(O)c([C@@H](C)NCc2cc(=O)n3nc(N)[nH]c3n2)c1 1168712877 RFCULEJFDFCBKU-MRVPVSSYSA-N 330.348 0.565 10 10 ECCE CCOc1ccc(N2CCN(C(=O)[C@H]3CN(C)C(=O)N3)CC2)cc1 1328248487 BISGRLAHIJHGIB-OAHLLOKOSA-N 332.404 0.758 10 10 ECCE COC(=O)[C@@H]1CC[C@H](NC(=O)C(=O)N2Cc3cccc(O)c3C2)C1 1351555123 XSVHZQFOLVKBPG-PWSUYJOCSA-N 332.356 0.692 10 10 ECCE C[C@@H](N[C@H](C)c1ccccc1O)C(=O)c1c(N)n(C)c(=O)n(C)c1=O 1460642374 ZYAOPQIQBZHNDV-NXEZZACHSA-N 346.387 0.294 10 10 ECCE CN1CCN(c2cc3c(cc2Br)[C@H](N)C(=O)N3)CC1=O 118712599 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10 10 ECCE CNCc1ccc(N2CC3(C2)OC[C@H](O)[C@H]3O)c(Br)c1 2183630641 DXGZQXMVPXCJGS-QWHCGFSZSA-N 343.221 0.479 10 10 ECCE COc1ccc(N2CCN(CCCNS(C)(=O)=O)CC2)cc1F 84867063 VJRBYQMONDTHAK-UHFFFAOYSA-N 345.440 0.896 10 10 ECCE CCOC(=O)c1cnn2c(O)cc(CN3CCn4nncc4C3)nc12 847018081 OTRGZMQULCVVJD-UHFFFAOYSA-N 343.347 0.219 10 10 ECCE Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@H]1CNCC[C@H]1C 842152245 FCMYNPBQJSNTCS-WBMJQRKESA-N 332.448 0.791 10 10 ECCE NC(=O)N1CCCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CC1 757509484 UZVNUZRYJKTURY-UHFFFAOYSA-N 335.320 0.517 10 10 ECCE C[C@@H]1CN(C)C[C@H]1NCc1ccc(N2CCS(=O)(=O)CC2)cc1 756121341 OXSKEPVQIXAVAN-RHSMWYFYSA-N 337.489 0.961 10 10 ECCE CNC(=O)NC[C@H]1CN(C(=O)NCCc2ccc(N)cc2)CCO1 861639462 COPPLVAXQBLTPD-AWEZNQCLSA-N 335.408 0.151 10 10 ECCE CS(=O)(=O)Nc1ccc(O)c(C(=O)NC[C@@H](O)[C@H]2CCCO2)c1 862659760 YGQKGTBLCWKXGY-CHWSQXEVSA-N 344.389 0.033 10 10 ECCE CS(=O)(=O)NC[C@H]1COCCN1Cc1cc(F)cc(F)c1O 895438539 XUBSRUUAIZATFX-NSHDSACASA-N 336.360 0.420 10 10 ECCE 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COC(=O)c1ccc(O)c([C@@H](C)NC[C@@]2(CO)COCCN2C)c1 903277528 BCQIHZUMTHONKM-SJKOYZFVSA-N 338.404 0.523 10 10 ECCE O=C(NCc1cc(Br)ccc1O)NC[C@H]1CNCCO1 842011911 SCECASMZQZJQFV-LLVKDONJSA-N 344.209 0.942 10 10 ECCE COC(=O)/C=C\c1ccc(N2CC[C@H](CO)[C@H](O)C2)c([N+](=O)[O-])c1 757693323 LTDLQMVNPWUWAI-KUXCDZRCSA-N 336.344 0.961 10 10 ECCE C[C@@H]1C(=O)CCCN1C(=O)c1cc(NS(C)(=O)=O)ccc1O 1157961534 LEDNQINXSPCDFN-SECBINFHSA-N 326.374 0.957 10 10 ECCE COC(=O)c1cn(CCNC(=O)N2Cc3cccc(O)c3C2)nn1 1686446622 MMKDGMBQTBKJLX-UHFFFAOYSA-N 331.332 0.496 10 10 ECCE COc1ccc(N2CCN(C(=O)c3nc(=O)cc(O)[nH]3)CC2)cc1 1858155630 QREZBRHJBQRSHR-UHFFFAOYSA-N 330.344 0.447 10 10 ECCE C[C@@H](N)c1ccc(N2C[C@H](O)[C@H](O)[C@H](CO)C2)cc1Br 2289487383 GJCVONOFGCRMKG-OBPYKSBLSA-N 345.237 0.619 10 10 ECCE COCCNC(=O)Nc1cc(N2CCN(C=O)CC2)ccc1OC 62150013 KUCAFTUZYOBVDT-UHFFFAOYSA-N 336.392 0.742 10 10 ECCE Cc1nc(NN(C)S(=O)(=O)C2CCC2)sc1S(N)(=O)=O 2365328557 FTPZCDHPXGHEPO-UHFFFAOYSA-N 340.452 0.240 10 10 ECCE CS(=O)(=O)NC[C@@H]1CCC[C@H]1NC(=O)c1cccc(O)c1O 800668709 WXGIQTQUVIFBFD-GXSJLCMTSA-N 328.390 0.546 10 10 ECCE COc1c([N+](=O)[O-])ccc(CNC[C@]2(OCCO)CCOC2)c1O 826940331 CXPBSQDLQQNGOU-OAHLLOKOSA-N 342.348 0.567 10 10 ECCE COc1cc(N(C)[C@@H]2CCN(CC(=O)O)C2=O)cc(OC)c1OC 852726349 KTNJOKQEDJJXEZ-LLVKDONJSA-N 338.360 0.834 10 10 ECCE CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N1CCC2(COC2)C1 850602313 UFPHEPYMVGPRBH-UHFFFAOYSA-N 331.416 0.960 10 10 ECCE Cc1ccc(C(=O)N(C)CCN2CCCS2(=O)=O)c(O)c1O 780956108 PRXWMSVSKNEIBW-UHFFFAOYSA-N 328.390 0.514 10 10 ECCE CN(C)C(=O)CN[C@H]1C[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 1713968956 SGMDDIXRFKSTBW-JOCQHMNTSA-N 346.391 0.788 10 10 ECCE C[C@H](CCN[C@H]1CCNC1=O)NC(=O)c1ccc(N=NC(N)=O)cc1 1699165896 RXTJYRIJBHYOSO-MFKMUULPSA-N 346.391 0.836 10 10 ECCE NCc1cc(F)c(N2CC3(C2)OC[C@H](O)[C@H]3O)cc1Br 2183625690 BIDVCMMPZPVNJD-NWDGAFQWSA-N 347.184 0.358 10 10 ECCE Cn1cc(/C=C/C(=O)N2C[C@H](O)Cc3ccccc32)c(=O)n(C)c1=O 279445037 CWJDWZSZOAOIGQ-HSBSLETESA-N 341.367 0.047 10 10 ECCE 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COC(=O)c1cc(C2CN(C(=O)c3c(F)ccc(O)c3O)C2)[nH]n1 1184435951 BONCKLHZZQWYBG-UHFFFAOYSA-N 335.291 0.986 10 10 ECCE CN(C)c1ccc(CNC(=O)C(=O)N2C[C@@H]3COC[C@@]3(C)C2)cc1 1347410640 JADONLYSKZXHOF-RDTXWAMCSA-N 331.416 0.864 10 10 ECCE Oc1ccccc1CN[C@@H]1CO[C@H](CN2CCC(F)(F)C2)[C@@H]1O 1615260848 WLAXFJNVCPAIKE-BPLDGKMQSA-N 328.359 0.951 10 10 ECCE Cc1nc([C@H](NC(=O)Cc2ccc(O)c(O)c2)c2cnn(C)c2)no1 1628636989 FSUNPQRQEAKSLK-OAHLLOKOSA-N 343.343 0.971 10 10 ECCE CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cnc(O)n1C 1633473840 WAHDFJNPASJCIX-JTQLQIEISA-N 349.343 0.441 10 10 ECCE CCNS(=O)(=O)[C@@H]1CCN(C(=O)Cc2ccc(O)c(O)c2)C1 1566997901 ZESZFCKLPPBVIP-LLVKDONJSA-N 328.390 0.181 10 10 ECCE O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1CC(C(=O)O)=C[C@@H](O)[C@@H]1O 13382475 QMPHZIPNNJOWQI-VKJPNVGWSA-N 336.296 0.159 10 10 ECCE endogenous,in-man CNCc1ccc(N2C[C@@H]3C(=O)NC(=O)[C@H]3C2)cc1Br 386751331 GKEATDAIGICBTP-QWRGUYRKSA-N 338.205 0.877 10 10 ECCE Cc1cc(O)n2ncc(C(=O)N3CCN(C(=O)N(C)C)CC3)c2n1 2063459472 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334.420 0.544 10 10 ECCE CS(=O)(=O)N1CC[C@H](COC(=O)/C=C/c2ccc(O)c(O)c2)C1 801291989 XVHRBJKGADTWJU-PYEVWLCESA-N 341.385 0.936 10 10 ECCE CN(C)c1ccc(/C=C/CN2CCN3C(=O)C(=O)NC[C@H]3C2)cc1 835028365 HTQDFXNFMQQPCO-CWDCEQMOSA-N 328.416 0.408 10 10 ECCE Cc1cnc2c(c1)N(C(=O)/C=C\c1cn(C)c(=O)n(C)c1=O)CCN2 857995140 UBEKEUMTLLHCAZ-PLNGDYQASA-N 341.371 0.259 10 10 ECCE O=S(=O)(NCc1ccc(N2CCSCC2)cc1)C1CNC1 923592175 PQRQFTUVQSPYBO-UHFFFAOYSA-N 327.475 0.631 10 10 ECCE O=S(=O)(C[C@@H]1CNCCO1)NCCCSc1nccs1 866749905 MGTRIQQADFKXMT-JTQLQIEISA-N 337.492 0.533 10 10 ECCE O=C(C(=O)N1CCC[C@H](OCCO)C1)N1Cc2cccc(O)c2C1 1119020806 ZBYYYBNDCOLJGC-ZDUSSCGKSA-N 334.372 0.234 10 10 ECCE CN(C)S(=O)(=O)C1(CNC(=O)c2c(F)ccc(O)c2O)CC1 1306895697 STUFJMZQLHMWBQ-UHFFFAOYSA-N 332.353 0.391 10 10 ECCE CN(Cc1ccccc1O)C(=O)NCC(C)(C)CS(N)(=O)=O 1479125395 ZKRIFOJRJZMDPB-UHFFFAOYSA-N 329.422 0.848 10 10 ECCE COc1ccc(CNCCN(C)C(=O)c2cn(C)c(=O)n2C)cc1C 1713667661 KMCJDRKOFXTNFD-UHFFFAOYSA-N 346.431 0.903 10 10 ECCE COc1ccc(N2CCN(CCNC(=O)[C@H]3C[C@H]3C(N)=O)CC2)cc1 1627050508 PDHRXZXIQOGFTN-CVEARBPZSA-N 346.431 0.055 10 10 ECCE O=C(CCc1nc(-c2nc[nH]n2)no1)NCc1c(O)cccc1F 1558455726 XLHMUZVEYOEVQS-UHFFFAOYSA-N 332.295 0.948 10 10 ECCE CN(Cc1ccccc1O)C(=O)NCCCn1ccc(O)nc1=O 1638912565 HLUKFGYDMRLDOO-UHFFFAOYSA-N 332.360 0.886 10 10 ECCE CC(C)(C)OC(=O)N1CCO[C@H](C(=O)C(=O)C[C@H]2C[C@H](N)C2)C1 1895032053 SVAZUENXATWGHX-GVXVVHGQSA-N 326.393 0.888 10 10 ECCE CC(C)(C)OC(=O)N[C@H](CC(N)=O)C(=O)N1CC[C@H](N=[N+]=[N-])C1 1985103101 QHFROAYANXPSIT-DTWKUNHWSA-N 326.357 0.666 10 10 ECCE CO[C@H]1C[C@H](COc2nnc(=N)[nH]n2)N(C(=O)OC(C)(C)C)C1 2210651354 HLKWHAKSOSLFNX-BDAKNGLRSA-N 326.357 0.082 10 10 ECCE CO[C@H]1C[C@H](COc2nnc(=N)[nH]n2)N(C(=O)OC(C)(C)C)C1 2210645083 HLKWHAKSOSLFNX-BDAKNGLRSA-N 326.357 0.082 10 10 ECCE COc1ccc(N2CCN(CCC(=O)NCCN(C)C)CC2)cc1 243216603 KIEVOLTXDWTJRX-UHFFFAOYSA-N 334.464 0.885 10 10 ECCE CN1CCC[C@@H](NC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)C1 807290742 NDBNHOXSOZBWSG-MRXNPFEDSA-N 342.443 0.889 10 10 ECCE COc1ccc(N2CCN(CCNC(=O)[C@H]3C[C@H](N)C3)CC2)cc1 852872417 GXBIIDZBBSYIHD-SHTZXODSSA-N 332.448 0.671 10 10 ECCE CNC(=O)NC[C@@H]1CN(Cc2ccc(N3CCOCC3)cc2)CCO1 862462416 WTAHVSMDIZTBBX-QGZVFWFLSA-N 348.447 0.653 10 10 ECCE Cn1nccc1CNC(=O)C(=O)NCCCSc1nccs1 788502784 KUMVYYUKWXJLHV-UHFFFAOYSA-N 339.446 0.791 10 10 ECCE CNS(=O)(=O)Nc1ccc(NS(=O)(=O)N2CCC[C@H]2C)cc1 797431263 KOBBRSYROSIUSX-SNVBAGLBSA-N 348.450 0.704 10 10 ECCE CC(=O)N1CC(CCO)(NC(=O)c2ccc(N=NC(N)=O)cc2)C1 1285948375 POGONGWKUUYMRK-UHFFFAOYSA-N 333.348 0.562 10 10 ECCE CN1CCC[C@@H](N2CCN(C(=O)Cc3ccc(O)c(O)c3)CC2)C1 1465135060 OGLYBFFBAPOSRY-OAHLLOKOSA-N 333.432 0.879 10 10 ECCE COc1ccc(CNC[C@@H](O)CNC(=O)C2CCN(C)CC2)cc1C 1732653549 OVLQSMFSMCUYRB-QGZVFWFLSA-N 349.475 0.912 10 10 ECCE CC(C)(C)OC(=O)NC1CN(CC(=O)C(=O)C[C@H]2C[C@H](N)C2)C1 1980568549 FXWMSJKSCQPLIU-XYPYZODXSA-N 325.409 0.461 10 10 ECCE CN[C@H](C)c1ccc(N2C[C@@H](O)[C@@H](O)[C@H]2CO)c(Br)c1 2357916113 PYEOCILQKRXXAH-OJICRYGUSA-N 345.237 0.632 10 10 ECCE CNC(=O)[C@@H]1CN(c2ccc(/C=C/C(=O)OC)cc2[N+](=O)[O-])CCO1 273058446 CRSQFFPYPSARRU-YVZNUBBCSA-N 349.343 0.732 10 10 ECCE CCNC(=O)CN[C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 1266570092 YWUXEHMJMLYFFY-ZDUSSCGKSA-N 346.391 0.789 10 10 ECCE COc1ccc(CN[C@H](CO)CNC(=O)C[C@H]2CCNC2=O)cc1C 1507209775 QTYBUIOLKANIRN-CABCVRRESA-N 349.431 0.097 10 10 ECCE C[C@@H](O)c1ccc(N2C[C@H](O)[C@H](O)[C@H]2CO)c(Br)c1 2136282601 BXHJQQPTNZDUDG-WXVIEYFRSA-N 332.194 0.405 10 10 ECCE CN(C)c1ccc(CNC(=O)c2cn(C(F)(F)CO)nn2)cc1 1623315943 JZXPGQAXFHTRLW-UHFFFAOYSA-N 325.319 0.816 10 10 ECCE COc1ccc(-n2nnnc2CNC/C=C\CNC(=O)C2CC2)cc1 1715780164 MVSKVWIACWNBJS-IHWYPQMZSA-N 342.403 0.843 10 10 ECCE COc1cc(NC(=O)c2cc(NS(C)(=O)=O)ccc2O)[nH]n1 1641524253 VMBKSQPZLLORRP-UHFFFAOYSA-N 326.334 0.748 10 10 ECCE COc1cc(C(=O)N[C@H](C)CNC(=O)c2ccnn2C)cc(OC)n1 1744629963 WGBRMJPYNDMGIW-SNVBAGLBSA-N 347.375 0.381 10 10 ECCE NC(=O)C[C@@H](C(=O)O)N1C(=O)C(=Cc2cccnc2)SC1=S 2314542698 YDQSJCHQAQXODR-QMMMGPOBSA-N 337.382 0.611 10 10 ECCE CNC(=O)[C@@H]1CCN(C(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)C1 817761157 IUGRLNXGCSEQJK-CQSZACIVSA-N 346.431 0.306 10 10 ECCE NC(=O)CN1CCN(Cc2cccc(Br)c2O)CC1=O 839170974 WOWXMESQVSQMLP-UHFFFAOYSA-N 342.193 0.284 10 10 ECCE CNC(=O)[C@@]1(C)CCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C1 797438659 YVLNQVNHIXFIAH-HNNXBMFYSA-N 334.332 0.888 10 10 ECCE COC(=O)[C@@H]1CN(C(=O)c2c(F)ccc(O)c2O)C[C@H]1C(=O)OC 1458040680 RCVGFIBMSHUVFH-HTQZYQBOSA-N 341.291 0.271 10 10 ECCE COc1ccc(CN[C@H](CO)CNC(=O)c2cnn(C)n2)cc1C 1700804345 RXQILULPXWUOLE-ZDUSSCGKSA-N 333.392 0.013 10 10 ECCE CC1=NS(=O)(=O)N(C)C=C1C(=O)NCc1ccc(O)c(O)c1 1635959975 ROYXAVQQTGVNBV-UHFFFAOYSA-N 325.346 0.249 10 10 ECCE CSc1ncc(CNS(=O)(=O)CC2(C(=O)O)COC2)s1 2284543571 HJDRNWNXCXZTSR-UHFFFAOYSA-N 338.432 0.386 10 10 ECCE CC(C)(C)OC(=O)N(CCOc1nnc(=N)[nH]n1)C1CCOCC1 2307934590 DTELQCQIXUOXPM-UHFFFAOYSA-N 340.384 0.474 10 10 ECCE CC(=O)c1cc(F)cc(CN2CC[C@@H](NS(C)(=O)=O)C2)c1O 175681630 UTKCYGBZGLXKCL-GFCCVEGCSA-N 330.381 0.857 10 10 ECCE CN1NN=C2C1=NCC[C@@H]2C(=O)N1CCOc2cc(N(C)C)ccc21 611651358 SRAWWTDKBDPIAM-LBPRGKRZSA-N 342.403 0.702 10 10 ECCE CS(=O)(=O)N1CCC[C@H](C(=O)NCc2ccc(O)cc2O)C1 1142533612 NJBMWKCCOTYWDC-NSHDSACASA-N 328.390 0.386 10 10 ECCE C[C@@H](NC(=O)NCc1nnc2c(=O)n(C)ccn12)c1ccccc1O 1246110269 YBQUBLZBSZIBNR-SNVBAGLBSA-N 342.359 0.694 10 10 ECCE CC(C)OC[C@H]1CN(C(=O)C(=O)N2Cc3cccc(O)c3C2)CCO1 1329810779 NGVSUWPWFMNMMU-CQSZACIVSA-N 348.399 0.887 10 10 ECCE O=C(O)c1cnn2c(O)cc(CN3CC[C@H](Cn4ccnn4)C3)nc12 1329354478 NHLWBVOEQFOBQC-JTQLQIEISA-N 343.347 0.247 10 10 ECCE COc1ccc(CNC[C@@H](O)CN(C)C(=O)[C@H]2C[C@H]2C(N)=O)cc1C 1332575760 STEBAIUCNBSEDG-KFWWJZLASA-N 349.431 0.034 10 10 ECCE COc1ccc(CNC[C@@H](O)CNC(=O)c2n[nH]c(C)c2O)cc1C 1732638008 LRNIFVMPYFFRLC-CYBMUJFWSA-N 348.403 0.621 10 10 ECCE CC(F)(F)C[C@@H](COc1nnc(=N)[nH]n1)NC(=O)OC(C)(C)C 2210653102 DWXOPPIIBGPCSG-ZETCQYMHSA-N 334.327 0.997 10 10 ECCE COc1cccc(CN[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)c1O 808424590 MTQXTHWDKGQXPH-CYBMUJFWSA-N 343.449 0.761 10 10 ECCE CN(C)S(=O)(=O)N1CCCN(C(=O)c2cc(O)cs2)CC1 812354941 PDPAEYFXOKKALQ-UHFFFAOYSA-N 333.435 0.408 10 10 ECCE NS(=O)(=O)CCCCCCC(=O)NCc1ccc(O)c(O)c1 830555307 UFSYCAIULABMEF-UHFFFAOYSA-N 330.406 0.953 10 10 ECCE Nc1ccc(CCNC(=O)C(=O)N2CCO[C@H](C3CCC3)C2)cc1 842237060 AQKVUOVAERTQTN-INIZCTEOSA-N 331.416 0.955 10 10 ECCE CCOC(=O)C[C@H](O)C(=O)NCc1ccc(N2CCOCC2)cc1 773852308 LOEWCTHCLIARFQ-HNNXBMFYSA-N 336.388 0.454 10 10 ECCE CS(=O)(=O)NC[C@H]1CCC[C@@H]1NC(=O)Cc1ccc(O)c(O)c1 1556317074 PFIIJAVJCMSGQX-NEPJUHHUSA-N 342.417 0.474 10 10 ECCE COc1ccc(CN[C@@H](CNC(=O)[C@H]2CNC(=O)N2)C(C)C)cc1C 1715505780 JOTKJZQXRDLAFF-LSDHHAIUSA-N 348.447 0.915 10 10 ECCE COc1ccc(CNC2(CNC(=O)[C@H]3CN(C)C(=O)N3)CC2)cc1C 1723545205 RPLJYFIVTZEJOF-CQSZACIVSA-N 346.431 0.766 10 10 ECCE CCN(CCNCc1ccc(OC)c(C)c1)C(=O)[C@@H]1CNC(=O)N1 1568770539 GXWOWYDKFKHYOS-AWEZNQCLSA-N 334.420 0.623 10 10 ECCE O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1CC(C(=O)O)=C[C@H](O)[C@H]1O 14919096 QMPHZIPNNJOWQI-MLTSEQJVSA-N 336.296 0.159 10 10 ECCE endogenous,in-man OCc1ccc(N2CCN(C[C@@H](O)CO)CC2)c(Br)c1 2178035239 OGMVCZVREGUTNW-GFCCVEGCSA-N 345.237 0.417 10 10 ECCE OCc1ccc(N2CCOC[C@H]2[C@@H](O)CO)cc1Br 2090128845 MVEBQFYPOAGEOT-STQMWFEESA-N 332.194 0.500 10 10 ECCE CNCc1ccc(N2C[C@@H](O)[C@@H](O)[C@H]2COC)c(Br)c1 2358565447 MIBKCQVWDSFJSE-MCIONIFRSA-N 345.237 0.725 10 10 ECCE COc1cc(O)c(CN2CC[C@@H](NS(C)(=O)=O)C2)cc1OC 271105321 RIQYNHIONHPJPP-LLVKDONJSA-N 330.406 0.533 10 10 ECCE CCOC(=O)c1cnn2c(O)cc(CN3CC[C@@H](O)C3(C)C)nc12 812864699 IITCJAWUMVLIJJ-GFCCVEGCSA-N 334.376 0.957 10 10 ECCE CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N1C[C@H]2CC[C@H]1CN2 817996021 PPNHOWVXTCGXFX-ZBFHGGJFSA-N 330.432 0.674 10 10 ECCE COc1ccc(N2CC[C@@H](NC(=S)NCC(=O)N(C)C)C2)cc1 849270924 UMDWTQDDUZHNAO-GFCCVEGCSA-N 336.461 0.826 10 10 ECCE O=C(CN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)N1Cc2cccc(O)c2C1 871202359 FOTSKQHMNKSVGQ-VDERGJSUSA-N 342.351 0.397 10 10 ECCE O=C1CC[C@@H]2CN(C(=O)C(=O)N3Cc4cccc(O)c4C3)CC[C@@H]2N1 1261867930 VHEAOLFAROORMM-OCCSQVGLSA-N 343.383 0.362 10 10 ECCE C[C@@H]1[C@@H](CO)CCN1C(=O)c1cc(NS(C)(=O)=O)ccc1O 1635232485 DCCHNAKZSJDUKD-NXEZZACHSA-N 328.390 0.607 10 10 ECCE COc1cccc(CNC(=O)c2coc(CS(C)(=O)=O)n2)c1O 1566373951 NMDXVTJRVOPGIF-UHFFFAOYSA-N 340.357 0.863 10 10 ECCE N=c1nn[nH]n1-c1cccc(C(=O)NCc2c(O)cccc2F)c1 1645050744 PRWDFNWVUJJRTA-UHFFFAOYSA-N 328.307 0.850 10 10 ECCE CCOc1cccc(CNCCC(=O)NCCCNC(C)=O)c1O 1857859724 CVULXBANQUAJRQ-UHFFFAOYSA-N 337.420 0.913 10 10 ECCE CN(C)c1ccc([C@H](N)CNC(=O)[C@]23C[C@H]4C[C@@H](C(=O)N2)[C@H]3C4)cc1 846663988 UGCPDMBVWCFRGV-MEMXURKKSA-N 342.443 0.783 10 10 ECCE CCOC(=O)C[C@@H]1C[C@@H](OC)CN1C(=O)C(=O)Nc1ccc(N)cc1 841092305 CEWIPWXBYPGCTF-UONOGXRCSA-N 349.387 0.776 10 10 ECCE C[C@@H]1CN(Cc2ccc(N3CCN(C)CC3)cc2)CCN1CCO 779213727 MWCHFYRMYGMOEK-QGZVFWFLSA-N 332.492 0.937 10 10 ECCE Nc1ccc(OCCn2c(O)nnc(Br)c2=O)cc1 2118563821 AZTXNOHGUCSIER-UHFFFAOYSA-N 327.138 0.768 10 10 ECCE COc1ccc(CNC[C@@H](O)CNC(=O)[C@H]2CCN(C)C2)cc1C 1268335277 KSUDOEOPISLDLV-JKSUJKDBSA-N 335.448 0.522 10 10 ECCE CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@H](O)C(C)(C)O 1299699608 TTXNRPJNWJPAPG-AWEZNQCLSA-N 325.361 0.416 10 10 ECCE C[C@@H](O)[C@H](NC(=O)C1CCCC1)C(=O)NCc1cc(O)ccc1O 1471661603 VCTBLURREZCYAD-BMIGLBTASA-N 336.388 0.770 10 10 ECCE O=C(NCc1cn(C2CC2)c(=O)nc1O)c1c(F)ccc(O)c1O 1559028499 QCQAGFZBQKJMIQ-UHFFFAOYSA-N 335.291 0.764 10 10 ECCE COc1ccc(CN[C@H](C)CNC(=O)c2c[nH]c(=O)cn2)cc1C 1491567409 UKMDPMQEHIQWKJ-GFCCVEGCSA-N 330.388 0.995 10 10 ECCE COC(=O)/C=C\c1ccc(N2CC[C@@](O)(C(N)=O)C2)c([N+](=O)[O-])c1 1772929325 ZPOAORPRBCAMAG-QTLSWZBMSA-N 335.316 0.208 10 10 ECCE CC(C)(C)OC(=O)NC[C@@H](CO)NC(=O)c1cc(O)c(O)c(O)c1 2015075762 WJGQRYXQXVZUNK-VIFPVBQESA-N 342.348 0.419 10 10 ECCE CN(C)c1cncc(O[C@H]2CCN(C(=O)c3cc(O)nc(O)c3)C2)n1 238876203 OCJBFLVSGUJAKN-NSHDSACASA-N 345.359 0.642 10 10 ECCE CC(=O)C(=O)COC(=O)[C@H]1C[C@@H](O)CN1C(=O)c1ccc(F)cc1 808512321 MMSHYPBXSDQQFI-CHWSQXEVSA-N 337.303 0.102 10 10 ECCE COc1ccc(CNCCN(C)C(=O)C[C@H]2CC(=O)NC2=O)cc1C 1317672941 SMAJRQVEGLEVFV-CQSZACIVSA-N 347.415 0.604 10 10 ECCE NC(=O)C1CCN(c2ccc(CNC(=O)NC/C=C\CO)cc2)CC1 1313306770 YSPGPFFCODGNNL-UPHRSURJSA-N 346.431 0.736 10 10 ECCE C[C@H](NC(=O)C(=O)N1CCC(=O)N(C)CC1)c1ccc(N(C)C)cc1 1328419119 GKOUENBBERJXKI-ZDUSSCGKSA-N 346.431 0.621 10 10 ECCE CN(Cc1ccccc1O)C(=O)C(=O)NCCO[C@H]1CC1(F)F 1327272963 OACRYLFGLYYNIR-LBPRGKRZSA-N 328.315 0.891 10 10 ECCE CN(CCN1CCOCC1)C(=O)C(=O)N1Cc2cccc(O)c2C1 1331960527 QBFYRRJBWKXELN-UHFFFAOYSA-N 333.388 0.025 10 10 ECCE NC(=O)N=Nc1ccc(C(=O)NC[C@@H]2CCN2CCOCCO)cc1 1716672968 JABKZZZAQAKCTM-AWEZNQCLSA-N 349.391 0.662 10 10 ECCE CN(CCNC(=O)c1ccc(N=NC(N)=O)cc1)CC(=O)N1CCC1 1713479070 NJCDNEFRTUCEFV-UHFFFAOYSA-N 346.391 0.743 10 10 ECCE COc1ccc(CNC2(CNC(=O)[C@@H]3COC(=O)N3)CC2)cc1C 1499213722 DICOWEXRMXUCQL-ZDUSSCGKSA-N 333.388 0.850 10 10 ECCE CC(C)(C)OC(=O)NC(CO)(CO)C(=O)N[C@@H]1CCC[C@@H]1N=[N+]=[N-] 2303916537 SBIJFLBGZXDBCF-ZJUUUORDSA-N 343.384 0.582 10 10 ECCE COc1c([N+](=O)[O-])ccc(CN2CCN(CCO)C[C@H]2C)c1O 825338384 PSHHQRZDWCFSAW-LLVKDONJSA-N 325.365 0.807 10 10 ECCE CCOC(=O)c1cnn2c(O)cc(CN3C[C@H]4C(=O)OC[C@H]4C3)nc12 860164981 MBNTYJDIFGXHCO-BXKDBHETSA-N 346.343 0.216 10 10 ECCE COc1cccc(O)c1CNCCc1nnc2c(=O)n(C)ccn12 886285559 LYBHDLGWFBAIFJ-UHFFFAOYSA-N 329.360 0.475 10 10 ECCE CN1CCN(c2ccc(CN3CC(O)(c4ncnn4C)C3)cc2)CC1 895617952 BAXAWYYDPCIYJP-UHFFFAOYSA-N 342.447 0.270 10 10 ECCE CN(Cc1ccc(N2CCCC2)cc1)C(=O)CN1C(=O)CNC1=O 1136023702 OXGORSQODGDMMA-UHFFFAOYSA-N 330.388 0.797 10 10 ECCE COc1ccc(N2CCN(C[C@H](O)CN(C)CCCO)CC2)cc1 799363494 FTHORTXSYPKARK-QGZVFWFLSA-N 337.464 0.492 10 10 ECCE CN(Cc1ccccc1O)C(=O)C(=O)N1CC[C@H](Cn2ccnn2)C1 1333362570 AGDFUXPUZZIMLW-ZDUSSCGKSA-N 343.387 0.491 10 10 ECCE COc1ccc(CNC2(CNC(=O)[C@@H]3CCNC3=O)CC2)cc1C 1269464906 QMZSEAODSNLXTP-CQSZACIVSA-N 331.416 0.878 10 10 ECCE CS(=O)(=O)N1CC[C@@H](CNC(=O)Cc2ccc(O)c(O)c2)C1 1466084825 PJUFJQYCFYFTMV-NSHDSACASA-N 328.390 0.038 10 10 ECCE COc1ccc(CNC[C@H](O)CNC(=O)C2CCOCC2)cc1C 1716077130 LZQUPNGWZKDGCK-INIZCTEOSA-N 336.432 0.997 10 10 ECCE COc1cccc(CNC(=O)C2=CN(C)S(=O)(=O)N=C2C)c1O 1631542948 NPLYCELKPDWWKV-UHFFFAOYSA-N 339.373 0.552 10 10 ECCE CCCc1nnc(SCC(=O)NCc2ccc(O)cc2O)n1N 1639444400 KNZQPYGZOKLWQX-UHFFFAOYSA-N 337.405 0.764 10 10 ECCE O=C(NC[C@@H]1CNCCN1Cc1ccccc1)c1cc(O)nc(O)c1 2084706365 WPADYZPSGBTSBN-HNNXBMFYSA-N 342.399 0.697 10 10 ECCE COC(=O)C[C@H](N)C(=O)N1CCN(c2ccc(OC)c(F)c2)CC1 831146147 CRMXBYBEROMRRZ-ZDUSSCGKSA-N 339.367 0.373 10 10 ECCE CN1CCOC[C@@]1(CO)CNCc1ccc(N2CCOCC2)cc1 922537800 BMUQBKZHLVLJEL-SFHVURJKSA-N 335.448 0.306 10 10 ECCE CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@@H]1CN(C)C(=O)N1 854987267 AUZUREYNNXIXNY-LBPRGKRZSA-N 335.360 0.308 10 10 ECCE CO[C@H](C)CN1CC(O)(CNC(=O)c2ccc(N=NC(N)=O)cc2)C1 1325318842 PYNVNYLJVPGLIN-LLVKDONJSA-N 349.391 0.660 10 10 ECCE C[C@@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)N[C@H]1CCCNC1=O 1266994676 ABYMUCPWZXNRSN-GWCFXTLKSA-N 346.391 0.836 10 10 ECCE CNC(=O)[C@@H]1CN(C(=O)/C=C/c2cn(C)cn2)c2ccccc2O1 1353733931 HTUKJFBCSNBSIH-KIUWMYQTSA-N 326.356 0.974 10 10 ECCE CC(C)OCCS(=O)(=O)NCC(=O)NCc1cc(O)ccc1O 1455357628 UPDSYKRDVRUSPS-UHFFFAOYSA-N 346.405 0.058 10 10 ECCE COc1ccc(O)c([C@@H](C)NC(=O)[C@@]2(OC)CCS(=O)(=O)C2)c1 1631542984 OSIPOTCIPQTDRR-MEBBXXQBSA-N 343.401 0.782 10 10 ECCE CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)CCCCO 1632355728 CKPZMLYFCRREMS-LBPRGKRZSA-N 325.361 0.851 10 10 ECCE Cc1cc(O)n2ncc(C(=O)N3C[C@@H](C)O[C@]4(CCOC4)C3)c2n1 2065026840 QQFUHPGAYWFWJF-BDJLRTHQSA-N 332.360 0.763 10 10 ECCE C[C@H](O)c1ccc(N2CC3(C2)OC[C@@H](O)[C@@H]3O)cc1Br 2183636938 AJAUWGPRDVXGGQ-CKLFPEKLSA-N 344.205 0.813 10 10 ECCE O=C1Nc2cc(N3C[C@H](O)[C@H](F)C3)c(Br)cc2[C@H]1O 2092767536 HCCPLMHIOXVYNE-PPKCKEKNSA-N 331.141 0.954 10 10 ECCE CC(C)(C)OC(=O)N1CC[C@H](COc2nnc(=N)[nH]n2)C(F)(F)C1 2213778957 NOZJFZQFZUESFL-MRVPVSSYSA-N 346.338 0.950 10 10 ECCE O=S(=O)(CCO)CCNCc1cc(Br)ccc1O 2314171026 QIDFGZWAJJAVHE-UHFFFAOYSA-N 338.223 0.651 10 10 ECCE CC[C@@H](CO)N1CCN(CC(=O)NCc2ccc(N(C)C)cc2)CC1 72797970 URBYSVRTAHFSGL-KRWDZBQOSA-N 348.491 0.757 10 10 ECCE CS(=O)(=O)Nc1ccc(O)c(C(=O)N2C[C@@H]3CC[C@H](C2)O3)c1 363102855 XCSZMLWAVVMYBP-PHIMTYICSA-N 326.374 0.767 10 10 ECCE COc1ccc(N2CC[C@@H](NC(=O)NC[C@@H]3CNCCO3)C2)cc1 851665621 CLQMZSMYEYWGLR-CJNGLKHVSA-N 334.420 0.562 10 10 ECCE COc1ccc(N2CC[C@H](NC(=O)C(=O)NCC3(N)CCC3)C2)cc1 851689213 MIXZHPVBHFBHAR-ZDUSSCGKSA-N 346.431 0.388 10 10 ECCE O=C(/C=C/c1ccc(O)c(O)c1)NC[C@@]12COCCN1C(=O)OC2 1302640067 DHJNQTSMZNFQGY-ICTCPBKTSA-N 334.328 0.448 10 10 ECCE O=C(Cc1ccc(O)c(O)c1)N1CCO[C@]2(CCS(=O)(=O)C2)C1 1452260089 OYMWPFBYIYRKMB-OAHLLOKOSA-N 341.385 0.056 10 10 ECCE COc1ccc(CN[C@H](CO)CNC(=O)[C@@H]2CCN(C)[C@@H]2C)cc1C 1717766259 GRCODRYAJFRGAK-HYVNUMGLSA-N 349.475 0.911 10 10 ECCE CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1[C@H]2CCC(=O)[C@H]21 1633473215 LIZZPRIEKUHEAK-KUDNYVPYSA-N 347.367 0.913 10 10 ECCE COc1cccc(CNC(=O)N[C@H]2CCc3nnnn3CC2)c1O 1636271351 JHIBQKVORRZTAG-NSHDSACASA-N 332.364 0.592 10 10 ECCE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CNC(=O)c1ncccc1O 1632682144 ZYYLNFQUAXGJJL-JTQLQIEISA-N 345.355 0.676 10 10 ECCE CC(C)(C)OC(=O)N[C@H](CC(N)=O)C(=O)N1CC[C@@H](CN=[N+]=[N-])C1 2010404677 BSWWYVFYUCANAT-VHSXEESVSA-N 340.384 0.914 10 10 ECCE C[C@@H](N)c1ccc(N2C[C@H](O)[C@@H](O)[C@H](CO)C2)cc1Br 2289487381 GJCVONOFGCRMKG-GHSKTYPESA-N 345.237 0.619 10 10 ECCE COc1ccc(N2CCN(C(=O)C(=O)NC[C@@H]3CCCO3)CC2)cc1 243281916 LAYTXBLQGJKTQW-INIZCTEOSA-N 347.415 0.639 10 10 ECCE CC(=O)C(=O)COC(=O)[C@H](Cc1cccc(F)c1)n1nnnc1C 808516429 FLQHFYPHNOYCHH-ZDUSSCGKSA-N 334.307 0.606 10 10 ECCE COc1ccc(N2CC[C@H](N3C(=O)[C@@H]4C[C@@H](O)CN4C3=O)C2)cc1 849356662 GTCNSCRCXJWCKC-GUTXKFCHSA-N 331.372 0.671 10 10 ECCE O=C(CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)NCc1c(O)cccc1F 928711008 ZCBIPKZLWOYADC-VCXDHIOWSA-N 344.342 0.955 10 10 ECCE CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CC[C@H]3COC[C@H]3C2)c1 856148426 CAQUBWNUAPPIOL-WDEREUQCSA-N 340.401 0.872 10 10 ECCE COc1ccc(CN[C@H](CO)CNC(=O)C2CCOCC2)cc1C 1331662170 FSZBVVSIMVOZNU-INIZCTEOSA-N 336.432 0.997 10 10 ECCE COc1ccc(CNC[C@H](O)CNC(=O)[C@H](C)NC(C)=O)cc1C 1482706417 WNJGYNUDHRXJSC-WFASDCNBSA-N 337.420 0.095 10 10 ECCE Cn1nncc1C1(O)CN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 1558091465 KXAKJZWPMIOMND-UHFFFAOYSA-N 329.320 0.321 10 10 ECCE COCC(=O)N[C@@H](C)C[C@H](C)NC(=O)c1cc(OC)nc(OC)c1 1572631507 ZGHJMAYYEYBZBM-QWRGUYRKSA-N 339.392 0.758 10 10 ECCE CC(C)(C)OC(=O)NC[C@@H](O)CNC(=O)c1ccc(O)c(O)c1 1985784516 KTHFZYDDNRYVEV-JTQLQIEISA-N 326.349 0.713 10 10 ECCE CNCc1ccc(N2CC[C@](O)(C(N)=O)C2)c(Br)c1 389236626 ARGCOEDNVOYOKQ-CYBMUJFWSA-N 328.210 0.595 10 10 ECCE C[C@@H](O)c1ccc(N2C[C@H](O)[C@H](O)[C@@H](CO)C2)c(Br)c1 2289358145 OTRZGXDWXMRQAL-UMGHXEBTSA-N 346.221 0.653 10 10 ECCE CCOC(=O)CN(N=Nc1nonc1OC)c1nonc1OC 254303467 SXEKUVZVXCEBMM-UHFFFAOYSA-N 327.257 0.538 10 10 ECCE CCOC(=O)c1cnn2c(O)cc(CN3C[C@@H](O)C4(CC4)C3)nc12 375311629 XIHOWAXDAMEKEM-GFCCVEGCSA-N 332.360 0.568 10 10 ECCE COC(=O)/C=C/c1ccc(N2CC[C@H](O)[C@@H](CO)C2)c([N+](=O)[O-])c1 840384164 CRLUOTHGKAEPPW-MOEUOMFESA-N 336.344 0.961 10 10 ECCE COc1ccc(N2CCN(CCNC(=O)N[C@@H](C)[C@@H](C)N)CC2)cc1 841749740 IEAPKWIBLWJFPF-CABCVRRESA-N 349.479 0.852 10 10 ECCE O=S1(=O)CC[C@]2(CN(Cc3cc4c(cc3O)OCO4)CCO2)C1 842632807 LGDZRWOLYLBMNH-HNNXBMFYSA-N 341.385 0.510 10 10 ECCE CC(C)(CNCc1ccc(N2CCOCC2)cc1)CS(N)(=O)=O 865815049 PQOAASKWGGGHLS-UHFFFAOYSA-N 341.477 0.928 10 10 ECCE C[C@H](NC[C@@H](O)CN1CCOCC1)c1ccc(N2CCOCC2)cc1 775258641 ICLSARXTJCUHQT-QFBILLFUSA-N 349.475 0.867 10 10 ECCE O=C(C1=CC=CN2CCS(=O)(=O)N=C12)N1CCc2cc(F)cnc21 1537287781 UQMVDXZDCKTLLS-UHFFFAOYSA-N 348.359 0.607 10 10 ECCE COc1ccc(CNC[C@H](O)CN(C)C(=O)[C@@]23COC[C@@H]2C3)cc1C 1486279114 QRMXVSNWMJZFBC-BXWFABGCSA-N 348.443 0.949 10 10 ECCE COc1ccc(CNCCN(CCO)C(=O)c2[nH]nnc2C)cc1C 1484489709 AJISKUBBOCGTLI-UHFFFAOYSA-N 347.419 0.654 10 10 ECCE NS(=O)(=O)c1ccc(CC(=O)NCc2c(O)cccc2O)s1 1635846779 AZKVOPKBGRNVPW-UHFFFAOYSA-N 342.398 0.666 10 10 ECCE COc1ccc(CNC[C@@H](C)NC(=O)[C@@H]2CN(C)C(=O)N2)cc1C 1699374516 TUTXVDDRYFXPFI-OCCSQVGLSA-N 334.420 0.622 10 10 ECCE NCc1cc(F)c(N2C[C@H](O)[C@@H](O)[C@H](CO)C2)cc1Br 2289333273 VNILUYQGQSPZMI-HJIKLVIJSA-N 349.200 0.197 10 10 ECCE C[C@@H](CS(C)(=O)=O)NS(=O)(=O)CCOc1ccc(N)cc1 81901779 KQAKRFDLYUECIC-JTQLQIEISA-N 336.435 0.000 10 10 ECCE CN(C)c1ccc(CNC(=O)C(=O)N2[C@H]3CC[C@H]2CC(O)C3)cc1 283571150 RXEPXZBGTPVOTP-GJZGRUSLSA-N 331.416 0.883 10 10 ECCE CCOC(=O)C[C@@H](O)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 855227362 XUNFYIHARHBNPW-SWLSCSKDSA-N 336.388 0.704 10 10 ECCE CC[C@H](CNC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1)C(=O)O 927943090 PIFXUBRWNKQCMS-CQSZACIVSA-N 345.399 0.906 10 10 ECCE CNC(=O)[C@H](O)CNC(=O)Cc1cc(C)n(-c2ccccc2)c1C 857191729 RJLKIOFWGVADGH-MRXNPFEDSA-N 329.400 0.860 10 10 ECCE CN1CCCc2cc(CNS(=O)(=O)C[C@@H]3CNCCO3)ccc21 866748188 IOEIDMHVMBZNIC-HNNXBMFYSA-N 339.461 0.477 10 10 ECCE Nc1ccc(CC(=O)N2CCC(N3C(=O)O[C@H]4CNC[C@H]43)CC2)cc1 872263731 CFPRZGXGQUAJBV-CVEARBPZSA-N 344.415 0.595 10 10 ECCE C[C@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)N[C@@H]1CCNC1=O 1317287960 FQGQJUOUVMEJPN-BXKDBHETSA-N 332.364 0.445 10 10 ECCE COC(=O)[C@@H](CC1OCCO1)NC(=O)/C=C/c1ccc(O)c(O)c1 1175169744 NYWHDEMUWWGXNA-JOAKQRRISA-N 337.328 0.532 10 10 ECCE CCO[C@@H](C)C(=O)NC[C@@H](C)NC(=O)c1cc(OC)nc(OC)c1 1354260052 ZNQPDYFYAIZARU-MNOVXSKESA-N 339.392 0.758 10 10 ECCE COc1cc(C(=O)N[C@H](C)CN(C)C(=O)c2cnco2)cc(OC)n1 1510676673 BAFAMFSTWXLSGC-SNVBAGLBSA-N 348.359 0.977 10 10 ECCE C[C@H](C(=O)NCc1cc(O)ccc1O)n1cnc2c(N)ncnc21 1593882446 XUVHTSOLRAAMSD-MRVPVSSYSA-N 328.332 0.697 10 10 ECCE COc1ccc(N2CCN(C(=O)CN3CCOC[C@H](O)C3)CC2)cc1 295592883 MPFNZXDCNHLVBG-MRXNPFEDSA-N 349.431 0.037 10 10 ECCE COC(=O)CC[C@H](N)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 827725418 IDHQWPWTAFNHQS-BBRMVZONSA-N 349.431 0.981 10 10 ECCE O[C@@H]1C[C@H]2CN(Cc3ccc(N4CCOCC4)c(F)c3)CCN2C1 848925916 IBPMIJORFGDFFV-JKSUJKDBSA-N 335.423 0.913 10 10 ECCE COc1ccc(O)c([C@@H](C)NC[C@]23COCCN2C(=O)COC3)c1 866554085 OUGWFSKMYJHBAJ-SJKOYZFVSA-N 336.388 0.679 10 10 ECCE C[C@]12COC[C@@]1(C)CN(C(=O)C(=O)NCCc1ccc(N)cc1)C2 1333542963 NSDRARBJNLYBPZ-HDICACEKSA-N 331.416 0.813 10 10 ECCE C[C@@H]1[C@H](CO)CCN1C(=O)c1cc(NS(C)(=O)=O)ccc1O 1635232488 DCCHNAKZSJDUKD-ZJUUUORDSA-N 328.390 0.607 10 10 ECCE CCNCc1ccc(N2C[C@H](O)[C@H](O)[C@@H]2CO)cc1Br 2201037715 VWUBSZKUDQSHKJ-MELADBBJSA-N 345.237 0.461 10 10 ECCE CN(Cc1ccc(N(C)C)cc1)C(=O)CN1CC[C@@]2(CNC(=O)C2)C1 278802320 FWTHYEZITCMVQP-LJQANCHMSA-N 344.459 0.923 10 10 ECCE COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]2CCN(C)S2(=O)=O)c1 843833259 ZWPPESANALODAL-RNCFNFMXSA-N 328.390 0.612 10 10 ECCE COC(=O)[C@H]1C[C@@H](N(C)C(=O)C(=O)NCc2ccc(N(C)C)cc2)C1 1330825420 VVERHJFORMFBTR-OTVXOJSOSA-N 347.415 0.779 10 10 ECCE COC(=O)[C@H]1CCN(C(=O)C(=O)NCc2ccc(N(C)C)cc2)C1 1344851202 CZWIDGMJSIMHTD-ZDUSSCGKSA-N 333.388 0.390 10 10 ECCE CNC(=O)[C@H]1CN(C(=O)/C=C\c2cn(C)cn2)c2ccccc2O1 1353733934 HTUKJFBCSNBSIH-ZPIQOJFGSA-N 326.356 0.974 10 10 ECCE CNC(=O)CN[C@H]1C[C@H](C)N(C(=O)c2ccc(N=NC(N)=O)cc2)C1 1284029971 FUAMYWOZZJWRLY-GWCFXTLKSA-N 346.391 0.788 10 10 ECCE O=C(CN1C(=O)NC2(CCCC2)C1=O)NCc1cc(O)ccc1O 1644752413 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CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H](O)C1CCC1 1261261889 FJUXONFQYLFIDI-WFASDCNBSA-N 337.372 0.849 10 10 ECCE CN(C[C@@H](O)CNCCF)C(=O)c1ccc(N=NC(N)=O)cc1 1284479360 YGXUNFMTINVWRA-LBPRGKRZSA-N 325.344 0.841 10 10 ECCE NC(=O)NCCC(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 1629484005 BWXRQLSKJUUNDU-UHFFFAOYSA-N 342.346 0.476 10 10 ECCE CC(C)(O)[C@@H](O)C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 1645591350 HRTMYGRAFPOLRS-HNNXBMFYSA-N 349.431 0.136 10 10 ECCE CC[C@@H](CNC(=O)c1cnn[nH]1)NC(=O)c1cc(OC)nc(OC)c1 1746172377 CSNYXPNMNBWZQM-JTQLQIEISA-N 348.363 0.155 10 10 ECCE COc1ccc(-n2nnnc2CN[C@H](CNC(C)=O)C(C)C)cc1 1667426685 UVBBCMZYIDQILT-OAHLLOKOSA-N 332.408 0.921 10 10 ECCE NCc1cc(F)c(N2CCOC[C@@H]2[C@@H](O)CO)cc1Br 2146330157 VOOGHVDTLCMBMO-OLZOCXBDSA-N 349.200 0.605 10 10 ECCE CN(C)C[C@](C)(O)CNC(=O)/C=C\c1ccc(N2CCOCC2)cc1 255371084 OTJLGZSNTVSLKZ-WMHRWZGDSA-N 347.459 0.965 10 10 ECCE CC(=O)c1cc(F)cc(CN2CCC[C@@]3(C2)NC(=O)NC3=O)c1O 279004965 DJPUJCGUFKIJMB-INIZCTEOSA-N 335.335 0.908 10 10 ECCE CCN(CC)c1ccc(CN(C)C(=O)C(=O)N2CC(CO)C2)cc1 839313521 LCDJKWYIIDLXBA-UHFFFAOYSA-N 333.432 0.942 10 10 ECCE Cn1ccnc1[C@@H]1CCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C1 1332057845 ZBIOAJUMCAQZDD-CYBMUJFWSA-N 340.383 0.984 10 10 ECCE COc1ccc(CN[C@@H](C)CNC(=O)CN2C(=O)CNC2=O)cc1C 1265861032 GKYHFFGBHXWKFC-LBPRGKRZSA-N 348.403 0.150 10 10 ECCE Cn1cc(CNC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)nn1 1349663302 LBWLNNLDSHNLDL-UHFFFAOYSA-N 342.403 0.348 10 10 ECCE COc1ccc(CN[C@H](CNC(=O)[C@H]2CNC(=O)N2)C(C)C)cc1C 1715505779 JOTKJZQXRDLAFF-HUUCEWRRSA-N 348.447 0.915 10 10 ECCE COc1ccc(CN[C@H](CO)CNC(=O)C2CN(C(C)=O)C2)cc1C 1485989691 CRKOOOVVMRLHQW-INIZCTEOSA-N 349.431 0.049 10 10 ECCE COc1ccc(CNC[C@@H](NC(=O)Cn2cnnn2)C2CC2)cc1C 1670442598 BWEIMCRHCLWOBG-OAHLLOKOSA-N 344.419 0.675 10 10 ECCE C[C@@H](N)c1ccc(N2CC[C@](O)(C(N)=O)C2)cc1Br 389195504 PVVDBLKCHYDJMO-AMIZOPFISA-N 328.210 0.895 10 10 ECCE CN(c1cc(Br)c(CN)cc1F)[C@@H]1CC(=O)NC1=O 2114731456 DDRNWESBXLUXPL-SNVBAGLBSA-N 330.157 0.898 10 10 ECCE COc1cc(C=C2C(=O)N(c3nn[nH]n3)N=C2C)cc([N+](=O)[O-])c1O 2294253464 XDMCXZHUZWAHIG-UHFFFAOYSA-N 345.275 0.628 10 10 ECCE O=C(O)[C@H]1NCCc2[nH]c(-c3ccc(N4CCNCC4)cc3)nc21 77440227 SADBQXSYAOOOPF-HNNXBMFYSA-N 327.388 0.758 10 10 ECCE COc1ccc(N2CCN(CCNC(=O)C[C@H]3CCNC3)CC2)cc1 829505123 KVQHRRCIVANNCZ-MRXNPFEDSA-N 346.475 0.933 10 10 ECCE O=C(Cc1nc(C2CCOCC2)n[nH]1)NCc1ccc(O)cc1O 1162277715 BNSXJQFTDDSNEP-UHFFFAOYSA-N 332.360 0.969 10 10 ECCE CN(C)c1ccc(CNC(=O)C(=O)N2C[C@@H]3C[C@H]2C[S@]3=O)cc1 1327477646 NWWHZYKEPYOYIV-ZDODERHWSA-N 335.429 0.101 10 10 ECCE COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@H](O)C(C)(C)O 1446818744 YJXAQHUTJQMHEF-ZDUSSCGKSA-N 345.779 0.679 10 10 ECCE O=C(c1cc2cc(O)c(O)cc2s1)N(CCO)CCOCCO 1557710845 XXPACNMFWPWBPY-UHFFFAOYSA-N 341.385 0.756 10 10 ECCE CC[C@H](O)Cn1cc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)nn1 1624954141 DVNCDPXUKADZRQ-JQWIXIFHSA-N 334.376 0.821 10 10 ECCE Cc1cc(O)nc(N2CC[C@@H](NC(=O)c3cccc(O)c3O)C2)n1 1634683432 MHPCJAMVRZYJMQ-SNVBAGLBSA-N 330.344 0.911 10 10 ECCE CNS(=O)(=O)CCCN1CCN(c2ccc(OC)c(F)c2)CC1 84866141 WHGSRKYTZNCOAA-UHFFFAOYSA-N 345.440 0.896 10 10 ECCE CCOC(=O)C1=NN(c2ccccc2)[C@H](C(=O)OCC(=O)C(C)=O)C1 808513654 JEIIARTYTHKQIN-AWEZNQCLSA-N 346.339 0.886 10 10 ECCE C[C@H](NC(=O)C(=O)N(C)CCCO)c1ccc(N2CCOCC2)cc1 803297947 KUZLBFYIHDOMRY-AWEZNQCLSA-N 349.431 0.541 10 10 ECCE CC(=O)C(=O)COC(=O)CCNS(=O)(=O)c1ccc(F)cc1 808493648 BLWAHNLYDGQQSQ-UHFFFAOYSA-N 331.321 0.195 10 10 ECCE CN1CCO[C@H](C(=O)NCc2cc(Br)ccc2O)C1=O 908170734 TUVLHRUQQREYSX-LLVKDONJSA-N 343.177 0.628 10 10 ECCE COC(=O)c1ccc(O)c([C@H](C)NC[C@@]2(OCCO)CCOC2)c1 850507552 JWBAIIVSQZGITA-SJCJKPOMSA-N 339.388 0.997 10 10 ECCE COc1cccc(CNS(=O)(=O)[C@H]2CC(=O)N(C3CC3)C2)c1O 866840241 CDRDXXKOULGWQT-LBPRGKRZSA-N 340.401 0.584 10 10 ECCE Cc1nc(CN2CCN(C(=O)/C=C/c3ccc(O)c(O)c3)CC2)n[nH]1 779520634 UQMRXHZPVNFKDC-HWKANZROSA-N 343.387 0.882 10 10 ECCE CCOC(=O)CN(Cc1ccccc1O)C(=O)/C=C\C(=O)N(C)C 1638529007 DSKWKJHCSXKDGC-KTKRTIGZSA-N 334.372 0.928 10 10 ECCE COc1ccc(CN[C@@H](CO)CNC(=O)c2cncnc2C)cc1C 1676505276 MDCLDVXKOSQQLP-OAHLLOKOSA-N 344.415 0.983 10 10 ECCE COc1ccc2nc(NC(=O)C[C@H]3C(=O)NN(C)C3=O)sc2c1 169996323 DAOJHPASSTWEKR-QMMMGPOBSA-N 334.357 0.753 10 10 ECCE CCOC(=O)COc1ccc(C=C2C(=O)NC(=S)N(C)C2=O)cc1 2294199349 VSSHNKJEPIHAIW-UHFFFAOYSA-N 348.380 0.885 10 10 ECCE CN(C)c1ccc(CN(C)S(=O)(=O)CCCS(C)(=O)=O)cc1 123794644 QMJXMSLPYJDILE-UHFFFAOYSA-N 348.490 0.949 10 10 ECCE O=C(O)[C@@H]1NCCc2[nH]c(-c3ccc(N4CCNCC4)cc3)nc21 77440225 SADBQXSYAOOOPF-OAHLLOKOSA-N 327.388 0.758 10 10 ECCE CN[C@@H]1C(=O)Nc2cc(N(C)[C@H](C)C(N)=O)c(Br)cc21 723200824 ZMVLYVLFNWJZMA-KBUNVGBDSA-N 341.209 0.972 10 10 ECCE O=C(NCc1c(O)cccc1F)[C@@H]1C[C@H](O)CN1c1ccncn1 928710809 KEDZFNDYAGVILL-GWCFXTLKSA-N 332.335 0.577 10 10 ECCE CN1C[C@@H](C(=O)NCc2cc(Br)ccc2O)NC1=O 854442520 SYBCHXMTVCHJPK-VIFPVBQESA-N 328.166 0.795 10 10 ECCE O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)NCC12CC(CN1)C2 851685334 RTTNQMJKEDZRSV-UHFFFAOYSA-N 340.427 0.547 10 10 ECCE O=C(NCc1cc(O)ccc1O)[C@@H]1C[C@@H](O)CN1c1ccncn1 1153884642 DQYNEOXNRUSYPX-OLZOCXBDSA-N 330.344 0.144 10 10 ECCE NC(=O)N=Nc1ccc(C(=O)N[C@H]2CCN(CCOCCO)C2)cc1 1265318823 DOAVFHUCURVLMU-AWEZNQCLSA-N 349.391 0.662 10 10 ECCE NC(=O)[C@H]1C[C@@H](NC(=O)C(F)(F)F)CN(c2ccc(N)cc2)C1 1999551208 MZDJWPRIEXVYRK-WCBMZHEXSA-N 330.310 0.628 10 10 ECCE COC(=O)/C=C/c1ccc(N2CCOC[C@@H]2CC(N)=O)c([N+](=O)[O-])c1 829565952 HARZOUOMYOWWJC-PYEVWLCESA-N 349.343 0.862 10 10 ECCE COc1ccc(N2CC[C@@H](CNC(=O)C3CS(=O)(=O)C3)C2)cc1 868954720 BUIJWKQDCQDMPH-LBPRGKRZSA-N 338.429 0.682 10 10 ECCE CN(Cc1ccccc1O)C(=O)C(=O)N1C[C@H]2CC[C@H]1[C@@H]1CNC[C@H]21 1118973577 FVVMWRPAYCTPFP-MIGQKNRLSA-N 343.427 0.807 10 10 ECCE O=C(C(=O)N1CC[C@H](N2CCOC2=O)C1)N1Cc2cccc(O)c2C1 1119024026 ZNFPJPIFHRTNRG-LBPRGKRZSA-N 345.355 0.288 10 10 ECCE COC(=O)[C@@H]1C[C@@H](O)CN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 1144922874 MPNKMRYYIXOFFM-ZYHUDNBSSA-N 334.332 0.845 10 10 ECCE C[C@@H]1C[C@@H]1CNC(=O)C(=O)NCc1ccc(N2CCOCC2)cc1 1257100204 CBTCLOSIHLZSHN-UKRRQHHQSA-N 331.416 0.912 10 10 ECCE CCc1nc(CN2CCN(C(=O)Cc3ccc(O)c(O)c3)CC2)no1 1443450466 NUYOCRWLXCOYCW-UHFFFAOYSA-N 346.387 0.930 10 10 ECCE Nc1ncn(CC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)n1 1634347170 FHINLBLSZMBFPO-UHFFFAOYSA-N 344.419 0.385 10 10 ECCE O=C1NC(=O)[C@@]2(CCCN(Cc3ccc(N4CCOCC4)cc3)C2)N1 193467594 BLDBIDZPNDHWBJ-SFHVURJKSA-N 344.415 0.697 10 10 ECCE CN(C)C(=O)CCN1CCC(NC(=O)Cc2ccc(N)cc2)CC1 829069721 FCIVLCVCJHEIJN-UHFFFAOYSA-N 332.448 0.870 10 10 ECCE CN1C[C@H](C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)NC1=O 828155997 GDJXPKJVTWOJJN-MRXNPFEDSA-N 346.431 0.535 10 10 ECCE O=C(NCCCSc1nccs1)C(=O)N1CC=C[C@@H]1CO 1119536993 AWKUDIPRBHWYKN-SNVBAGLBSA-N 327.431 0.501 10 10 ECCE CNC(=O)CC(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1 773577506 NYOAIGJBQLPWED-UHFFFAOYSA-N 344.459 0.971 10 10 ECCE OCc1nnn2c1CN(Cc1ccc(N3CCOCC3)c(F)c1)CC2 894804622 GHROLAQDEHTJLQ-UHFFFAOYSA-N 347.394 0.762 10 10 ECCE CNS(=O)(=O)Nc1ccc(NS(=O)(=O)N2CCC[C@@H]2C)cc1 797431254 KOBBRSYROSIUSX-JTQLQIEISA-N 348.450 0.704 10 10 ECCE COc1ccc(N2CCN(CCNC(=O)[C@@H](C)CC(N)=O)CC2)cc1 1142565357 AGSXGYQCXHZIHG-AWEZNQCLSA-N 348.447 0.445 10 10 ECCE COc1ccc(CN[C@H](CO)CNC(=O)c2ccc(C)nn2)cc1C 1283755747 JVDGUIKUZJTMPK-HNNXBMFYSA-N 344.415 0.983 10 10 ECCE COc1ccc(CN[C@H](CO)CNC(=O)c2ccnc(C)n2)cc1C 1725550600 DHFDQVVEWYGLLF-HNNXBMFYSA-N 344.415 0.983 10 10 ECCE Nc1ccc(OCC(=O)NCCn2cc(Br)nn2)cc1 2192985913 OEHXALDATJNSQN-UHFFFAOYSA-N 340.181 0.818 10 10 ECCE CC(C)(C)OC(=O)NC(CO)(CO)C(=O)N[C@H]1CCC[C@@H]1N=[N+]=[N-] 2303916535 SBIJFLBGZXDBCF-UWVGGRQHSA-N 343.384 0.582 10 10 ECCE COC[C@@H]1CCN1C[C@@H](O)CN1CCN(c2ccc(OC)cc2)CC1 815127601 CBYBZJIXORBDLL-ROUUACIJSA-N 349.475 0.899 10 10 ECCE Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@H]1CCNC[C@@H]1C 842154086 RDRIBBRZSXZQKS-BBRMVZONSA-N 332.448 0.791 10 10 ECCE CN1CCN(c2ccc(CNC(=O)[C@H]3CN(C)C(=O)N3)cc2)CC1 918838303 FAPPSHIJPGIYAF-OAHLLOKOSA-N 331.420 0.078 10 10 ECCE CN1CC[C@@H](C(=O)NCc2ccc(N3CCCC3)cc2)S1(=O)=O 843764918 BEJCNYBWAYZVIC-HNNXBMFYSA-N 337.445 0.937 10 10 ECCE CC[C@H](CNC(=O)c1cc(NS(C)(=O)=O)ccc1O)C(=O)OC 844026387 XDOCOCAFFPNDIF-SECBINFHSA-N 344.389 0.693 10 10 ECCE O=C(CNS(=O)(=O)c1cccnc1)NCc1ccc(O)c(O)c1 1137443283 JXHJDPKJFZSFBA-UHFFFAOYSA-N 337.357 0.088 10 10 ECCE CN1CC(N2CCN(C(=O)c3ccc(N=NC(N)=O)cc3)CC2)C1 1348304690 KYINKNAHHCOERH-UHFFFAOYSA-N 330.392 0.921 10 10 ECCE COc1ccc(CN[C@@H](CO)CNC(=O)C(=O)NCC2CC2)cc1C 1717780881 MIUJVMSUIIKHMM-OAHLLOKOSA-N 349.431 0.097 10 10 ECCE CC[C@H](CNS(C)(=O)=O)NC(=O)NCc1c(O)cccc1F 1564781950 STGXWEPQCRMJNU-SECBINFHSA-N 333.385 0.658 10 10 ECCE CNC(=O)NC[C@H]1COCCN1C(=O)/C=C/c1ccc(O)c(O)c1 1650773604 PWHMQSOGERGDHK-PYEVWLCESA-N 335.360 0.267 10 10 ECCE COC(=O)/C=C\c1ccc(N(C)CCS(N)(=O)=O)c([N+](=O)[O-])c1 1655818208 UOEGKHAQQKPWMA-XQRVVYSFSA-N 343.361 0.506 10 10 ECCE CCn1cc(CNC(=O)/C=C/c2ccc(O)c(O)c2)c(O)nc1=O 1588230193 DPOYIWADJQQDDS-GQCTYLIASA-N 331.328 0.710 10 10 ECCE COc1cc(C(=O)N[C@@H](C)CNC(=O)[C@@H]2CCOC2)cc(OC)n1 1688127460 DEUUKIOOSIJGRL-WDEREUQCSA-N 337.376 0.370 10 10 ECCE CN(C)c1ccc([C@H]2CC(c3c(O)[nH]c(=O)n(C)c3=O)=NN2)cc1 101763602 ZPGSKYTUMDLMEW-LLVKDONJSA-N 329.360 0.284 10 10 ECCE CNC(=O)Cn1cc(NC(=O)CN(C)c2ccc(OC)c(F)c2)cn1 121800679 JHHBMOXFZQXILC-UHFFFAOYSA-N 349.366 0.852 10 10 ECCE CNC(=O)c1cc(S(=O)(=O)N(C)Cc2ccccc2O)cn1C 269848713 WYLOYPGYTBRVEF-UHFFFAOYSA-N 337.401 0.911 10 10 ECCE COC(=O)[C@H](CF)NC(=O)c1cc(NS(C)(=O)=O)ccc1O 288439182 VMKUQCSDRDIBLG-VIFPVBQESA-N 334.325 0.005 10 10 ECCE CC(=O)C(=O)COC(=O)c1cnc2c(c1)c(O)nc(=O)n2C1CC1 808522326 DYTDLLVCESVFAN-UHFFFAOYSA-N 331.284 0.147 10 10 ECCE COc1ccc(CNS(=O)(=O)N2C[C@H](C)O[C@H](C)C2)c(O)c1 795362181 JIYPWFUPLOGVMB-PHIMTYICSA-N 330.406 0.844 10 10 ECCE NC(=O)[C@@H]1CN(Cc2cccc(Br)c2O)C[C@@H]1C(N)=O 693453788 JRJSPAOIWKYWGF-DTORHVGOSA-N 342.193 0.173 10 10 ECCE CC(C)(C)OC(=O)NC(CO)(CO)C(=O)N1CC[C@@H](N=[N+]=[N-])C1 1903061614 LILAOPBDYLOFRM-SECBINFHSA-N 329.357 0.146 10 10 ECCE C[C@H](O)c1ccc(N2C[C@H](O)[C@H](O)[C@H]2CO)cc1Br 2136282648 CKXBWUZWUJINIY-GUQKDYTMSA-N 332.194 0.405 10 10 ECCE CN1CCN(c2ccc(CNC(=O)[C@H]3CC[C@@H](C(N)=O)C3)cc2)CC1 1625146087 WJCFDRIRYMYQPP-CVEARBPZSA-N 344.459 0.956 10 10 ECCE CC(C)(C)OC(=O)NCC(=O)NCC(=O)N1CCC[C@@H]1CN=[N+]=[N-] 2010397392 RWWLSQIBCCMWLC-SNVBAGLBSA-N 340.384 0.929 10 10 ECCE COc1ccc(Br)c(CN[C@@H]2C[C@H](O)[C@H](O)[C@H]2O)c1O 2236053940 BXXGRKDJNVTTAB-PSJXJDHFSA-N 348.193 0.108 10 10 ECCE CC(=O)C(=O)COC(=O)/C(=C/c1ccc(F)cc1)n1nnnc1C 808493148 TWUSRNLEJPTJAU-QPEQYQDCSA-N 332.291 0.820 10 10 ECCE CN1CCCc2cc(CNC(=O)C(=O)N3C[C@H]4CC[C@H]3CN4)ccc21 817910050 IOWPABXCVYAGAN-CVEARBPZSA-N 342.443 0.648 10 10 ECCE COc1ccc(N(C)CCN(C)C(=O)C(=O)N(C)[C@H]2CCOC2)cc1 846259058 UTICEEKMVAUZAP-HNNXBMFYSA-N 349.431 0.837 10 10 ECCE C[C@H](NC1CN(S(=O)(=O)N(C)C)C1)c1ccc(N(C)C)cc1 858570667 NLKDXXANZUXMHA-LBPRGKRZSA-N 326.466 0.894 10 10 ECCE CN(C)c1ccc(CNC(=O)C(=O)N2CC[C@@H](F)[C@H](N)C2)cc1F 851686089 ZTUAIAJYNMZDGI-DGCLKSJQSA-N 340.374 0.406 10 10 ECCE COC(=O)[C@@]12CCOC[C@@H]1CN(C(=O)Cc1ccc(O)c(O)c1)C2 1448823504 KNIPSVAMBOHGEE-YVEFUNNKSA-N 335.356 0.678 10 10 ECCE O=C(CNC(=O)c1ncccc1O)NCCc1ccc(O)c(O)c1 1294908546 GLKHBDPCFATTRN-UHFFFAOYSA-N 331.328 0.287 10 10 ECCE COc1cc(C(=O)N[C@H](C)CNC(=O)c2coc(C)n2)cc(OC)n1 1295469339 MAEXUBSEWYXULJ-SECBINFHSA-N 348.359 0.944 10 10 ECCE COc1ccc(CN[C@@H](CO)CNC(=O)C2CCN(C)CC2)cc1C 1734378636 ZNUWQZBIWYXTJU-QGZVFWFLSA-N 349.475 0.912 10 10 ECCE NCc1ccc(N2CC([C@H]3NC(=O)NC3=O)C2)cc1Br 2184960242 QPMNQZLTWOCOTD-LLVKDONJSA-N 339.193 0.552 10 10 ECCE C[C@@H](N)c1ccc(N2C[C@@H](O)[C@@H](O)[C@@H]2CO)c(Br)c1 2332923035 LEFRIXVIAZGJAC-KQXJFYCDSA-N 331.210 0.372 10 10 ECCE CN(C)C(=O)CN(C)c1cc2c(cc1Br)[C@H](N)C(=O)N2 723163597 CCOKEGIBPWUKOK-LBPRGKRZSA-N 341.209 0.925 10 10 ECCE COc1ccc(N2CC[C@H](CNC(=O)C3=NO[C@@H](CN)C3)C2)cc1 852894871 ZIHFPLYZSPXTMK-IUODEOHRSA-N 332.404 0.741 10 10 ECCE CC(=O)c1cc(F)cc(CN2CCC(NS(N)(=O)=O)CC2)c1O 859957919 VMUUGCVVKPAWSR-UHFFFAOYSA-N 345.396 0.491 10 10 ECCE O=C(C(=O)N1CCSC[C@@H]1CCO)N1Cc2cccc(O)c2C1 1261864468 FJVNDUMIEDRJOK-LBPRGKRZSA-N 336.413 0.561 10 10 ECCE CNC(=O)CNC[C@H]1CCCN1C(=O)c1ccc(N=NC(N)=O)cc1 1270315623 DTZYVQNPPNVHAO-CYBMUJFWSA-N 346.391 0.789 10 10 ECCE O=C(CNS(=O)(=O)c1ccccc1)NCc1c(O)cccc1O 1456236209 QLMGVSMBISXTSA-UHFFFAOYSA-N 336.369 0.693 10 10 ECCE COc1ccc(CN[C@@H](CO)CNC(=O)c2cnn(C)c2C)cc1C 1734360985 JKDJBXLCAJBOBL-OAHLLOKOSA-N 346.431 0.926 10 10 ECCE COc1ccc(CNC[C@@H](O)CNC(=O)C[C@@H]2CCOC2)cc1C 1699041999 RIGYDFAYLAJSTJ-JKSUJKDBSA-N 336.432 0.997 10 10 ECCE CCOC(=O)CC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)OCC 1320512503 HSOUYQRECWNYML-NSHDSACASA-N 339.344 0.641 10 10 ECCE NCc1ccc(N2CCN3C(=O)NC(=O)[C@@H]3C2)c(Br)c1 2171305787 WDKKKZRSFJCODB-NSHDSACASA-N 339.193 0.648 10 10 ECCE Cc1cc(O)n2ncc(C(=O)N3C[C@@H]4CCCN4C[C@@H]3CO)c2n1 2062576846 VMARWBNSZILICS-NWDGAFQWSA-N 331.376 0.024 10 10 ECCE COCCCN1C(=O)C(=CN2CCC(C(N)=O)CC2)SC1=S 2297471845 MIWTUMOKCOJIRT-UHFFFAOYSA-N 343.474 0.922 10 10 ECCE O=C1Nc2cc(N3C[C@@H](O)[C@H](F)C3)c(Br)cc2[C@H]1O 2328761728 HCCPLMHIOXVYNE-AVPPRXQKSA-N 331.141 0.954 10 10 ECCE 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COc1ccc(N2CC[C@@H](NC(=O)[C@@H](O)Cc3cnn(C)c3)C2)cc1 855226469 QCMMCBNMFBBZMZ-PBHICJAKSA-N 344.415 0.727 10 10 ECCE COC[C@@H](NC(=O)C(=O)NCCc1ccc(N)cc1)C1CCOCC1 851687945 MHTPLYQEGUZGPZ-MRXNPFEDSA-N 349.431 0.485 10 10 ECCE COc1ccc(N2CC[C@H](NC(=O)N3CC[C@H](NC(N)=O)C3)C2)cc1 854300298 XVWGDQHOJWZIEU-STQMWFEESA-N 347.419 0.726 10 10 ECCE Cn1cnnc1COCC(=O)NCc1ccc2cccnc2c1O 862025937 CDHFBSPLZFJDSQ-UHFFFAOYSA-N 327.344 0.902 10 10 ECCE CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cnn(CC)n1 1343961373 OGAYPPGUXUEZCH-NSHDSACASA-N 348.359 0.613 10 10 ECCE Cn1cc(/C=C\C(=O)NCc2cc(Cl)ccc2O)c(=O)n(C)c1=O 1469875317 WDNXWBQNRRNFFM-UTCJRWHESA-N 349.774 0.773 10 10 ECCE Nc1n[nH]c(CNC(=O)NCc2ccc(N3CCSCC3)cc2)n1 1479133734 MPAQKWCDJNPLNR-UHFFFAOYSA-N 347.448 0.940 10 10 ECCE COC(=O)[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)c1ccnn1C 1557170307 AJTAFJISSCVZPM-CSPWOOARSA-N 331.328 0.875 10 10 ECCE CCOC(=O)CC(C)(C)CC(=O)C(=O)CCn1cc[nH]c(=O)c1=O 1623574704 YCLXHORVNPKEPT-UHFFFAOYSA-N 338.360 0.434 10 10 ECCE C[C@@H](C(=O)NCc1ccc(O)cc1O)S(=O)(=O)C1CCOCC1 1643104134 NCKZDFJKYJXDOA-JTQLQIEISA-N 343.401 0.696 10 10 ECCE COc1ccc(CNC(=O)N[C@@H]2CCS(=O)(=O)[C@@H]2C)c(O)c1 1684583173 AYSOZWWYJFFXDJ-BXKDBHETSA-N 328.390 0.776 10 10 ECCE O=C(CCn1nc2ccccn2c1=O)NCCc1ccc(O)c(O)c1 156709160 KUNDPXIXDJXCQT-UHFFFAOYSA-N 342.355 0.656 10 10 ECCE CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)NCC1(CN=[N+]=[N-])CC1 2010403645 HKJDBLQYEVZWJW-VIFPVBQESA-N 340.384 0.962 10 10 ECCE C[C@@H](C(=O)C(=O)C[C@H]1C[C@H](N)C1)N1CC(NC(=O)OC(C)(C)C)C1 2014679315 YWTNPKZIOOBTIH-SRVKXCTJSA-N 339.436 0.849 10 10 ECCE CC(C)(C)OC(=O)N[C@@H](CO)C(=O)NCCOc1ccc(N)cc1 2018039142 DSPWZDBJJOZGPC-ZDUSSCGKSA-N 339.392 0.649 10 10 ECCE N=c1nnc(OCCC2CN(C(=O)OCc3ccccc3)C2)n[nH]1 2209556398 RWHXXIHXNNHCEN-UHFFFAOYSA-N 330.348 0.717 10 10 ECCE CN(C)c1ccc(CNC(=O)C(=O)NCc2ccn(C)n2)cc1F 803661187 SNKRVQJKPOAAMC-UHFFFAOYSA-N 333.367 0.558 10 10 ECCE COc1ccc(N2CC[C@H](NC(=O)C(=O)Nc3cnns3)C2)cc1 850537358 PMXKAJKZOSZZQI-JTQLQIEISA-N 347.400 0.880 10 10 ECCE CC(=O)N1CCN(c2ccc(CNC(=O)CCC3CNC3)cc2)CC1 876910109 SNRSGFVHYMVVBW-UHFFFAOYSA-N 344.459 0.971 10 10 ECCE O=C(c1cc2cc(O)c(O)cc2s1)N1CC2(C[C@H](O)CNC2=O)C1 1455687709 NXGWJZSRFTXSNF-VIFPVBQESA-N 348.380 0.636 10 10 ECCE COc1ccc(CNC[C@H](O)CNC(=O)c2ccn(C)n2)cc1C 1716110680 DCDAENXEXFLUHA-AWEZNQCLSA-N 332.404 0.618 10 10 ECCE O=C(Cc1ccc(O)c(O)c1)N1CCS(=O)(=O)[C@@H]2COCC[C@H]21 1642373216 HCOJHDSJIPCRON-BXUZGUMPSA-N 341.385 0.055 10 10 ECCE CCCCN1C(=O)NC(=O)C(=CN[C@@H](CCSC)C(=O)O)C1=O 2296937124 UCUAATNSIGAMGO-JTQLQIEISA-N 343.405 0.545 10 10 ECCE CN1CCO[C@@H](CNC(=O)C=Cc2ccc(N3CCOCC3)cc2)C1 2297505702 PNIUXBDTWXATLT-SFHVURJKSA-N 345.443 0.983 10 10 ECCE Cn1ncc(CNC(=O)NCc2ccc(N3CCOCC3)c(F)c2)n1 804970580 YDDHEJALZGDUPD-UHFFFAOYSA-N 348.382 0.790 10 10 ECCE Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@H]1CCCN(C)C1 807100337 JJNPAXHBFVHPQS-HNNXBMFYSA-N 332.448 0.888 10 10 ECCE C[C@@H]1CCN(C(=O)C(=O)NCc2ccc(N(C)C)cc2)C[C@H]1C(=O)O 843257331 OSPIEPFSNXHGEF-IUODEOHRSA-N 347.415 0.938 10 10 ECCE COc1cc(C)cc(CN2CCOC[C@H]2CNS(C)(=O)=O)c1O 895437887 QLWXRNRUCUZAHK-CYBMUJFWSA-N 344.433 0.459 10 10 ECCE COc1ccc(CN[C@@H](CO)CNC(=O)C[C@@H]2CCNC2=O)cc1C 1507209778 QTYBUIOLKANIRN-LSDHHAIUSA-N 349.431 0.097 10 10 ECCE CCOC(=O)CC(C)(C)CC(=O)C(=O)C[C@@]1(C)CCS(=O)(=O)N1 1623580104 HCJVOWWKRDXCSI-OAHLLOKOSA-N 347.433 0.966 10 10 ECCE COC[C@@H](O)CN1CC[C@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 1499130786 CHRIMHALVGCTCD-KBPBESRZSA-N 349.391 0.660 10 10 ECCE O=C(NCc1cccc(O)c1O)[C@H]1CC12CCS(=O)(=O)CC2 1637045560 GGMBNWRXDKUCJG-LLVKDONJSA-N 325.386 0.929 10 10 ECCE CCOCC(=O)N(C)C[C@@H](C)NC(=O)c1cc(OC)nc(OC)c1 1572230809 OEJJJYPHJCAIKC-LLVKDONJSA-N 339.392 0.712 10 10 ECCE CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCn3nccc3C2)c1 1646022096 SNLFSKRHRXHRHR-UHFFFAOYSA-N 336.373 0.616 10 10 ECCE NS(=O)(=O)CCNCc1cc(Br)cc(F)c1O 715793216 VOZDDYMHEIEJDV-UHFFFAOYSA-N 327.175 0.672 10 10 ECCE CCOC1(COc2nnc(=N)[nH]n2)CN(C(=O)OC(C)(C)C)C1 2210648762 DJIWLPCQDGQKDN-UHFFFAOYSA-N 326.357 0.084 10 10 ECCE CNCc1ccc(N2CC[C@](O)(CO)[C@@H](O)C2)c(Br)c1 2234095796 HIGCECZQGMNECV-KBPBESRZSA-N 345.237 0.463 10 10 ECCE CC(C)(C)OC(=O)NC(CO)(CO)C(=O)N[C@H]1CCC[C@H]1N=[N+]=[N-] 2303916536 SBIJFLBGZXDBCF-VHSXEESVSA-N 343.384 0.582 10 10 ECCE CN(C)c1ccc(CNC(=O)CN2C(=O)NC(=O)C2(C)C)cc1F 118781930 YQHCDAHYHJYNON-UHFFFAOYSA-N 336.367 0.838 10 10 ECCE [N-]=[N+]=N[C@@H]1[C@H](O)[C@@H](O)[C@H](CO)O[C@@H]1Oc1ccc([N+](=O)[O-])cc1 616587551 KTWQZFHYGZLIJI-OSUNSFLBSA-N 326.265 0.092 10 10 ECCE CC(C)(CNC(=O)c1cccc(O)c1O)N1CCS(=O)CC1 279420388 YFEFQAZPCIAGQW-UHFFFAOYSA-N 326.418 0.671 10 10 ECCE COc1cc(O)c(CN2CCN(c3nncn3C)CC2)cc1OC 848497809 QNHHLLHILBPEDV-UHFFFAOYSA-N 333.392 0.860 10 10 ECCE COC(=O)[C@@]12CCOC[C@@H]1CN(Cc1cc3c(cc1O)OC[C@@H]3O)C2 794683829 RCLPXRYATRGJSN-XLWVJDPXSA-N 349.383 0.830 10 10 ECCE COc1ccc(CNC[C@H](O)CNC(=O)c2csnn2)cc1C 1268315501 DMBBNIITRDQGIA-LBPRGKRZSA-N 336.417 0.736 10 10 ECCE COc1ccc(CN[C@@H](C)CN(C)C(=O)[C@H]2CNC(=O)N2)cc1C 1277920590 AIOXGROOXNRSSE-GXTWGEPZSA-N 334.420 0.622 10 10 ECCE CN1CC(=O)Nc2cc(C(=O)NCc3c(O)cccc3O)cnc21 1456313640 FZPVTQCHBZZEBP-UHFFFAOYSA-N 328.328 0.811 10 10 ECCE CON(C)C[C@H](O)Cn1cc(NC(=O)c2cc(O)cs2)cn1 1466113905 LSMHPTDKXVZWGY-NSHDSACASA-N 326.378 0.757 10 10 ECCE Cn1cc(/C=C/C(=O)NCc2c(O)cccc2F)c(=O)n(C)c1=O 1635360178 CGKFWGXUDTTWMK-VOTSOKGWSA-N 333.319 0.258 10 10 ECCE COc1ccc(CNC[C@H](C)CNC(=O)[C@@H]2CNC(=O)N2)cc1C 1568191762 LDZKUJJECGWFKA-FZMZJTMJSA-N 334.420 0.527 10 10 ECCE CNCc1ccc(N2CC(OC)(C(N)=O)C2)cc1Br 2104902788 PWSUAFVPPAGFAW-UHFFFAOYSA-N 328.210 0.859 10 10 ECCE CC1(C)C(=O)NC(=O)N1CC(=O)NCc1cc(Cl)ccc1O 846477413 TYNVDJHDKBHMER-UHFFFAOYSA-N 325.752 0.992 10 10 ECCE C[C@@H]1C[C@@H](C(=O)O)CN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C1 868343380 ONDUDXYJZJBGMS-ZYHUDNBSSA-N 332.356 0.804 10 10 ECCE CC(=O)c1cc(F)cc(CN[C@@](C)(Cn2cccn2)C(N)=O)c1O 1308147046 UWAIELONZBVPQQ-INIZCTEOSA-N 334.351 0.964 10 10 ECCE CNS(=O)(=O)c1ccc(C(=O)NCc2cc(O)ccc2O)o1 1176747838 CKKOYIGBAAJIMJ-UHFFFAOYSA-N 326.330 0.529 10 10 ECCE CNC(=O)CNC[C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 1567155728 WGMDUKFOVYXAGY-NSHDSACASA-N 346.391 0.647 10 10 ECCE O=C(O)[C@H]1CN(C(=O)C=Cc2ccc(N3CCOCC3)cc2)CCO1 2053798984 UKMOBSGMPYSKFC-MRXNPFEDSA-N 346.383 0.848 10 10 ECCE Cc1cc(O)n2ncc(C(=O)N3CC[C@H](N4CCCC4=O)C3)c2n1 2063372077 OXHWAKUWYUQFKS-NSHDSACASA-N 329.360 0.580 10 10 ECCE COc1ccc(N2C[C@H](O)[C@H](O)[C@H]2CO)c(OC)c1Br 2234900930 ADAGZNAVYVNWPS-VDDIYKPWSA-N 348.193 0.369 10 10 ECCE COC[C@@H]1[C@H](O)[C@H](O)CN1c1ccc(CN)c(Br)c1 2225701044 OABMJFCHIASJRI-UPJWGTAASA-N 331.210 0.465 10 10 ECCE NCc1cc(F)c(N2C[C@@H]3C[C@H]2[C@H](O)[C@H]3O)cc1Br 2329331701 DNOOIUSPMRVPCQ-VFFVRTRHSA-N 331.185 0.977 10 10 ECCE COC(=O)[C@@H]1CN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C[C@H](C)O1 1348651889 JCXZRTSJLNQWEE-HZMBPMFUSA-N 348.355 0.023 10 10 ECCE CCOC(=O)c1cnn2c(O)cc(COC(=O)C[C@H](O)CC)nc12 837809537 ISAMWOSPCUWCSO-SNVBAGLBSA-N 337.332 0.816 10 10 ECCE CC[C@@H](CNC(=O)C(=O)NCc1ccc2c(c1)CCCN2C)C(=O)O 927940914 HNLYKCCLCWFOQH-ZDUSSCGKSA-N 347.415 0.912 10 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CS(=O)(=O)N1CCCN(C(=O)Cc2ccc(O)c(O)c2)CC1 1629404955 ODDVWHVAXWXKGW-UHFFFAOYSA-N 328.390 0.134 10 10 ECCE CNC(=O)CNC[C@@H](C)N(C)C(=O)c1ccc(N=NC(N)=O)cc1 1568322378 MTKKXFKHESYMQH-SNVBAGLBSA-N 334.380 0.645 10 10 ECCE CC(C)(C)OC(=O)N1CC(=O)NC[C@H]1C(=O)NCCCN=[N+]=[N-] 1963704545 QPIPLLZNYXTJJS-VIFPVBQESA-N 326.357 0.539 10 10 ECCE O=C1COC[C@H]2CN(c3ccc(CO)c(Br)c3)CCN12 2236932717 AEANAYKBCXAHJF-GFCCVEGCSA-N 341.205 0.989 10 10 ECCE Cn1cc(/C=C\C(=O)N2CCc3cccc(F)c32)c(=O)n(C)c1=O 492189634 WYQYLCSAMWSJIX-SREVYHEPSA-N 329.331 0.826 10 10 ECCE Cc1cccc(CN2CCN(CC(=O)N3CCOCC3)CC2)c1O 179603368 CWSCANBXWSQDGB-UHFFFAOYSA-N 333.432 0.677 10 10 ECCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N[C@H](Cc1ccccc1)C(=O)O 196977230 YYYRSTVQCOXQID-UONOGXRCSA-N 344.367 0.780 10 10 ECCE CC[C@@H](COC)NC(=O)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 826840669 YHGYDFMNMGEQMB-KBPBESRZSA-N 349.431 0.931 10 10 ECCE COc1ccc(O)c([C@@H](C)NC(=O)CN2C(=O)NC(=O)C2(C)C)c1 735858611 VUKJTAWJNUPTID-SECBINFHSA-N 335.360 0.908 10 10 ECCE 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O=C(NCc1c(O)cccc1O)[C@H]1Nc2ccccc2S(=O)(=O)N1 1639289495 RIWCSRVRTZRKMM-AWEZNQCLSA-N 349.368 0.444 10 10 ECCE COc1ccc(CNC(=O)NCCCCS(N)(=O)=O)c(O)c1 1681523539 KZXLKFAGQXWORK-UHFFFAOYSA-N 331.394 0.269 10 10 ECCE CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)NCCCCN=[N+]=[N-] 1985104978 NNLPVCXIFNYULL-VIFPVBQESA-N 328.373 0.962 10 10 ECCE CCN1CCN(C2CN(C(=O)c3cnn4c(O)cc(C)nc34)C2)CC1 2063517299 ZXYRXPMSPBFMAV-UHFFFAOYSA-N 344.419 0.205 10 10 ECCE CN(CCN=[N+]=[N-])C(=O)[C@@H]1[C@@H](O)[C@@H](O)CCN1C(=O)OC(C)(C)C 1908674076 FFIXNPAMURTWEH-DCAQKATOSA-N 343.384 0.486 10 10 ECCE CC(=O)N(C(=O)C(=O)NCc1cccc(CN)c1)c1ccc(N)cc1 170318447 TVMWJBKDYAWOEW-UHFFFAOYSA-N 340.383 0.923 10 10 ECCE COc1ccc(N2CCN([C@H](C)C(=O)NCCN(C)C)CC2)cc1 34684268 YVLSFIAVBMZPTM-OAHLLOKOSA-N 334.464 0.884 10 10 ECCE CN(C)c1ccc(CNC(=O)C(=O)N2CC[C@H]3COC[C@@H]3C2)cc1 826707558 VHRXLEUYESXVRY-GJZGRUSLSA-N 331.416 0.864 10 10 ECCE O=C(C(=O)N1CCC[C@@H](OCCO)C1)N1Cc2cccc(O)c2C1 1119020803 ZBYYYBNDCOLJGC-CYBMUJFWSA-N 334.372 0.234 10 10 ECCE Nc1nc(C(=O)NCc2c(O)cccc2F)nc(N2CCOCC2)n1 1303875145 AWVTUIALDBGCBB-UHFFFAOYSA-N 348.338 0.065 10 10 ECCE COc1ccc(N2CC[C@@H](NC(=O)C(=O)N[C@@H]3[C@H]4COC[C@H]43)C2)cc1 1328007441 IOEGEEZQCPLFNY-FWYOQMDTSA-N 345.399 0.151 10 10 ECCE COC(=O)C[C@H](CNC(=O)C(=O)NCCc1ccc(N)cc1)C1CC1 1328381410 VVUGLMGOIRFZSH-CQSZACIVSA-N 347.415 0.633 10 10 ECCE NC(=O)COC1CCN(Cc2ccc(N3CCOCC3)cc2)CC1 1334513710 MDHBEKOHNVVREJ-UHFFFAOYSA-N 333.432 0.990 10 10 ECCE CN(Cc1ccccc1O)C(=O)C(=O)N1CCc2nccnc2C1 1347028048 RCWZVXSUEBPZCO-UHFFFAOYSA-N 326.356 0.726 10 10 ECCE CC(=O)N(C(=O)C(=O)N1CCCC[C@H]1CCO)c1ccc(N)cc1 170319157 DPFJWIHKKXFZLF-AWEZNQCLSA-N 333.388 0.912 10 10 ECCE O=C1N[C@H](C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)CO1 283144570 SGIFRHMEADRPHS-HNNXBMFYSA-N 333.388 0.620 10 10 ECCE COc1ccc([C@@H]2[C@@H](C(=O)OCC(=O)C(C)=O)CC(=O)N2C)cc1 808518985 SQOIMVVVUVIIDD-XJKSGUPXSA-N 333.340 0.916 10 10 ECCE Cn1ncc2c(=O)n(CC(=O)NCCc3ccc(N)cc3)cnc21 818546108 PJIFCJGMJZXXBZ-UHFFFAOYSA-N 326.360 0.071 10 10 ECCE CNC[C@H](C)NC(=O)C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 851690703 ARLHWGUBNRBUDI-QWHCGFSZSA-N 334.420 0.114 10 10 ECCE COc1ccc(CN[C@H](CO)CNC(=O)c2cnc(O)n2C)cc1C 1331774171 YMMLFIQGMOTYDE-ZDUSSCGKSA-N 348.403 0.323 10 10 ECCE CS(=O)(=O)N[C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 1293318502 UUZHHBIMQRBFPY-LLVKDONJSA-N 339.377 0.613 10 10 ECCE CS(=O)(=O)N[C@H]1CCC[C@H]1CNC(=O)Cc1ccc(O)c(O)c1 1545777318 XMUQPZZIFZVYII-RYUDHWBXSA-N 342.417 0.474 10 10 ECCE CS(=O)(=O)Nc1ccc(O)c(C(=O)N[C@H]2CCn3ccnc32)c1 1628189780 WGHDNQOBBCUFAS-NSHDSACASA-N 336.373 0.835 10 10 ECCE CC(C)(C)OC(=O)N[C@H](CC(N)=O)C(=O)N1CC[C@H](CN=[N+]=[N-])C1 2010403284 BSWWYVFYUCANAT-NXEZZACHSA-N 340.384 0.914 10 10 ECCE N[C@H]1C(=O)Nc2cc(N3C[C@H](O)C[C@@H](O)C3)c(Br)cc21 2183270118 ZZSMXQYTPQGTPR-NQYJQULFSA-N 342.193 0.333 10 10 ECCE CC(C)(C)OC(=O)NCC1(COc2nnc(=N)[nH]n2)CCOCC1 2213779499 USLAWMUKXQUQJA-UHFFFAOYSA-N 340.384 0.379 10 10 ECCE C[C@@H](O)c1ccc(N2CC[C@](O)(CO)[C@H](O)C2)c(Br)c1 2234093775 XKBZMTJWQQTDRJ-FZQKWOKYSA-N 346.221 0.797 10 10 ECCE NCc1cc(F)c(N2CC[C@](O)(CO)[C@@H](O)C2)cc1Br 2234108443 UUIBKEAMDDQBMD-STQMWFEESA-N 349.200 0.341 10 10 ECCE CN(Cc1nn(C)nc1Br)C(=O)c1cc(O)nc(O)c1 2235273406 MXQGEYVUGZDCLF-UHFFFAOYSA-N 342.153 0.656 10 10 ECCE CO[C@@H]1CN[C@@H](C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)C1 187920067 DNTIJXXFGBYKJJ-ZWKOTPCHSA-N 347.459 0.888 10 10 ECCE CNCc1ccc(OC)c(CS(=O)(=O)CCS(C)(=O)=O)c1 81928127 PLXHIMFPEVRJER-UHFFFAOYSA-N 335.447 0.374 10 10 ECCE COCCN1C(=O)/C(=C\NNc2ccc(C)cn2)C(=O)NC1=S 263864366 JEVJVJYTCLITES-NTMALXAHSA-N 335.389 0.080 10 10 ECCE COc1ccc(N2CC[C@@H](NC(=O)C(=O)NC[C@H](C)CN)C2)cc1 851688426 ZZABUBFYHJHMQW-CHWSQXEVSA-N 334.420 0.101 10 10 ECCE CCOC(=O)CC(C)(C)CC(=O)C(=O)CN1CCN(C)C(=O)C1 935947886 GNORGNDZMZVQFP-UHFFFAOYSA-N 326.393 0.268 10 10 ECCE CC(C)(CNC(=O)C(=O)Nc1ccc(N)cc1)C(=O)N1CCCC1 861528539 ZTJNTJWNKKUGQX-UHFFFAOYSA-N 332.404 0.972 10 10 ECCE Cn1ccnc1CN1CCC[C@@H](NC(=O)c2cccc(O)c2O)C1=O 790926990 UCUQEKCJEMLEPS-GFCCVEGCSA-N 344.371 0.752 10 10 ECCE COc1ccc(CNC[C@H](O)CNC(=O)Cn2ccnc2C)cc1C 1268335536 MHFWWZAZICYKHN-INIZCTEOSA-N 346.431 0.775 10 10 ECCE CC(C)(C)OC(=O)NC[C@H](O)C(=O)NCc1ccc(O)c(O)c1 1445902364 PQWMANVUNNOYRF-LBPRGKRZSA-N 326.349 0.600 10 10 ECCE CCCN(Cc1ccccc1O)C(=O)[C@@H](C)NC(=O)Cn1cnnn1 1294681290 BYBPJYIULIXLMI-GFCCVEGCSA-N 346.391 0.322 10 10 ECCE CCOC(=O)c1cnn2c(O)cc(CN3CC[C@@H](NC(C)=O)C3)nc12 1618678384 XCXQLFXUIBNWFN-LLVKDONJSA-N 347.375 0.322 10 10 ECCE NS(=O)(=O)C[C@H]1CCCN(C(=O)c2c(F)ccc(O)c2O)C1 1611197768 CHPGBTAMUOWFJH-QMMMGPOBSA-N 332.353 0.378 10 10 ECCE COc1cccc(CNC(=O)[C@@H](O)CNC(=O)OC(C)(C)C)c1O 1630365809 DTKIXTSZXZPYRJ-NSHDSACASA-N 340.376 0.903 10 10 ECCE COc1ccc(O)c([C@@H](C)NC(=O)NCCCc2nnnn2C)c1 1676723318 QSPVCTYTXJEMHK-SNVBAGLBSA-N 334.380 0.917 10 10 ECCE CN(C)c1ccc([C@@H](CNC(=O)[C@@H](N)CO)N2CCCCC2)cc1 1865952450 JFAFQWGVLAPNPI-DLBZAZTESA-N 334.464 0.715 10 10 ECCE CC(C)(C)OC(=O)N[C@H]1CCO[C@@H]1C(=O)C(=O)C[C@H]1C[C@H](N)C1 1980378212 SPSGLHZUHSZVMK-RMIALFOJSA-N 326.393 0.934 10 10 ECCE Cn1nnc(Br)c1C(=O)NCc1cc(N)ccc1O 311474076 PHGDARPXRAHMPR-UHFFFAOYSA-N 326.154 0.795 10 10 ECCE NCc1ccc(N2CC(=O)N3CCOC[C@H]3C2)c(Br)c1 2185855409 LVOFQGMOEJXWTP-LLVKDONJSA-N 340.221 0.955 10 10 ECCE CC(C)(C)OC(=O)N1CCOC(C)(C)[C@H]1COc1nnc(=N)[nH]n1 2247990809 YHHXJAKIBSDULG-SECBINFHSA-N 340.384 0.472 10 10 ECCE CN(C)S(=O)(=O)N1CCN(c2ccc3c(c2)OCCO3)CC1 243384459 MIOVDCLVWLTMBW-UHFFFAOYSA-N 327.406 0.386 10 10 ECCE C[C@H](O)[C@@H]1CN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)CCO1 839673573 LDGFECAFWCJYLF-YOEHRIQHSA-N 335.448 0.793 10 10 ECCE NS(=O)(=O)C1(C(=O)NCc2cc(Br)ccc2O)CC1 846139181 KKSWYHQJJSXQDT-UHFFFAOYSA-N 349.206 0.592 10 10 ECCE CN(C)CCN1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC1=O 846358491 XCBDFEPUDXCLNQ-GQCTYLIASA-N 333.388 0.343 10 10 ECCE CCS(=O)(=O)NCC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 855233589 ISZUGGBHMSQHNM-LBPRGKRZSA-N 341.433 0.329 10 10 ECCE Cc1cc(Cn2cc(CN(CCO)CCO)nn2)ccc1N(C)C 883999867 ZPLPITACBBJAQY-UHFFFAOYSA-N 333.436 0.487 10 10 ECCE C[C@@H](CN[C@@H]1CCCNC1=O)NC(=O)c1ccc(N=NC(N)=O)cc1 1322094378 YCFKMNCELXJSQT-GXFFZTMASA-N 346.391 0.836 10 10 ECCE CCO[C@H](C)C(=O)NC[C@@H](C)NC(=O)c1cc(OC)nc(OC)c1 1354260051 ZNQPDYFYAIZARU-GHMZBOCLSA-N 339.392 0.758 10 10 ECCE COc1ccc(CNC[C@@H](O)CNC(=O)c2n[nH]cc2F)cc1C 1272512064 IPMMGYCUJWGLCI-GFCCVEGCSA-N 336.367 0.746 10 10 ECCE C[C@H](O)C(=O)N1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1 1624458887 ZLDIGCKNDCVGFQ-JTQLQIEISA-N 333.348 0.514 10 10 ECCE C[C@H](CNCc1cnnn1C)NC(=O)c1ccc(N=NC(N)=O)cc1 1497994008 BVPWOHFKKDCRIX-SNVBAGLBSA-N 344.379 0.886 10 10 ECCE COc1ccc(CN[C@H](C)CNC(=O)CN2CCNC(=O)C2)cc1C 1731609696 CCJFHPDOJFKKIT-CQSZACIVSA-N 348.447 0.030 10 10 ECCE CC(C)(C)OC(=O)N1CCO[C@@H]2[C@@H](C(=O)C(=O)C[C@H]3C[C@H](N)C3)[C@H]21 2003172949 RREVNWJRIZVKOF-ZUJPDMLGSA-N 338.404 0.886 10 10 ECCE NCc1ccc(N2CCN(CC(N)=O)CC2)c(Br)c1 700775565 ZCUFGURZMHUOCH-UHFFFAOYSA-N 327.226 0.515 10 10 ECCE O=C1Nc2cc(N3CC[C@H](O)[C@@H](O)C3)c(Br)cc2[C@H]1O 2188681724 OPMMLWUDZFPJHQ-SDDRHHMPSA-N 343.177 0.367 10 10 ECCE CC(C)(C)OC(=O)N1CC(OCCCOc2nnc(=N)[nH]n2)C1 2210647347 RIAWEZUAQOWGKE-UHFFFAOYSA-N 326.357 0.084 10 10 ECCE CC(C)(C)OC(=O)N1CCC[C@@](F)(COc2nnc(=N)[nH]n2)C1 2210652560 XJRIQGSAFFVWFX-ZDUSSCGKSA-N 328.348 0.797 10 10 ECCE CC(=O)C(=O)COC(=O)CNS(=O)(=O)/C=C/c1ccccc1 808496040 XVJZEBZDMAUJQH-BQYQJAHWSA-N 325.342 0.278 10 10 ECCE COc1c([N+](=O)[O-])ccc(CN2CCN(CCO)C[C@@H]2C)c1O 825338385 PSHHQRZDWCFSAW-NSHDSACASA-N 325.365 0.807 10 10 ECCE C[C@@H]1CNCC[C@@H]1NC(=O)C(=O)NCCCSc1nccs1 842092204 KGNABGKEPRTSDF-MNOVXSKESA-N 342.490 0.856 10 10 ECCE C[C@@H]1CN(C(=O)NCCc2ccc(N)cc2)CCN1S(C)(=O)=O 851662637 GGWLHDQLIFHCQQ-GFCCVEGCSA-N 340.449 0.487 10 10 ECCE COC1CCN(S(=O)(=O)NNc2nc3cccnc3s2)CC1 857226043 YKVFKSDXEOXGHZ-UHFFFAOYSA-N 343.434 0.963 10 10 ECCE CN(Cc1ccccc1O)C(=O)NCc1nnc2c(=O)[nH]ccn12 1251111918 KSSAWROGQZDMJG-UHFFFAOYSA-N 328.332 0.465 10 10 ECCE C[C@H](NC(=O)C(=O)N1CCNC(=O)CC1)c1ccc(N(C)C)cc1 1261113168 ONQFTQTUPXPSLV-LBPRGKRZSA-N 332.404 0.278 10 10 ECCE O=C(O)[C@@H]1[C@@H](O)[C@H](O)CN1Cc1ccc(Br)cc1O 2136115459 MVNRWXMFXSVXSY-VWYCJHECSA-N 332.150 0.145 10 10 ECCE COc1ccc(CNC[C@@H](O)CNC(=O)c2cncnc2O)cc1C 1482740521 BAWLADATBXFYKF-CYBMUJFWSA-N 346.387 0.380 10 10 ECCE C[C@H](CN(C)C(=O)c1ccc(N=NC(N)=O)cc1)N[C@H]1CCNC1=O 1734355980 ILWHYEDEVFHPQU-MFKMUULPSA-N 346.391 0.788 10 10 ECCE COc1ccc(N2CCN(C(=O)CNc3nccc(O)n3)CC2)cc1 1858520729 JWOAHNXDKZWVOM-UHFFFAOYSA-N 343.387 0.952 10 10 ECCE CC(C)(C)OC(=O)N1C[C@H](COc2nnc(=N)[nH]n2)OC(C)(C)C1 2213784470 BPTMQMLAFZHXRI-SECBINFHSA-N 340.384 0.472 10 10 ECCE CSc1ncc(CNS(=O)(=O)c2n[nH]c(C)c2CN)s1 2284690332 QBDTVTVEBBUALF-UHFFFAOYSA-N 333.464 0.834 10 10 ECCE N[C@@H]1C(=O)Nc2cc(N3CC(O)(CCO)C3)c(Br)cc21 2286174531 ACZZYZUEVPYVFV-NSHDSACASA-N 342.193 0.335 10 10 ECCE COc1ccc(N2CCN(C(=O)[C@@H]3CC[C@H](C(=O)O)O3)CC2)cc1 325753972 CXIZUZYAMLUBTD-LSDHHAIUSA-N 334.372 0.976 10 10 ECCE COc1ccc(N2CC[C@H](NC(=O)NC[C@]3(O)CCN(C)C3)C2)cc1 854299350 ORYVJHLATCCYHN-KBXCAEBGSA-N 348.447 0.640 10 10 ECCE 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Cn1nc(Br)c(CNC(=O)Cc2ccc(O)c(O)c2)n1 2235264559 BETGRVOTHJLIIZ-UHFFFAOYSA-N 341.165 0.848 10 10 ECCE CN(C)c1ccc(CNC(=O)N2CCS(=O)(=O)CCO2)cc1 1520735354 KAGKHRKBLYQYBH-UHFFFAOYSA-N 327.406 0.624 10 10 ECCE O=C(CS[C@@H]1CCS(=O)(=O)C1)NCc1c(O)cccc1O 1472061454 QHYQEDSMLGFAFT-SECBINFHSA-N 331.415 0.634 10 10 ECCE COc1ccc(CNC[C@H](O)CNC(=O)c2nc(C)c[nH]2)cc1C 1732655674 DNGBQNSEZMSFGE-AWEZNQCLSA-N 332.404 0.916 10 10 ECCE CCn1cc(CNC(=O)N2Cc3cccc(O)c3C2)c(O)nc1=O 1684851380 IBZIRYIMJAZCAB-UHFFFAOYSA-N 330.344 0.900 10 10 ECCE Nc1ccc(NC(=O)Cn2c(O)nnc(Br)c2=O)cc1 2175185649 ACEWXAYQJAUIMO-UHFFFAOYSA-N 340.137 0.327 10 10 ECCE CNC(=O)CC(=O)NCCCN1CCN(c2ccc(OC)cc2)CC1 120326241 KKOYYQJIHVEVMI-UHFFFAOYSA-N 348.447 0.460 10 10 ECCE C[C@@H](CCNS(=O)(=O)CCOc1ccc(N)cc1)[S@@](C)=O 229778977 ITVXKSGMXWHSPV-PRWKNARSSA-N 334.463 0.724 10 10 ECCE Cc1cc(C(=O)N2CCOC[C@H]2C(N)=O)c(C)n1-c1ccccn1 91783198 BEKHLTQIHXXXIL-AWEZNQCLSA-N 328.372 0.815 10 10 ECCE COc1ccc(N2CC[C@@H](NC(=O)[C@@H](C)S(C)(=O)=O)C2)cc1 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FIXJTLOWVDEGFS-GOSISDBHSA-N 348.491 0.973 10 10 ECCE CN(C)c1ccc([C@H](N)CNC(=O)CNC(=O)c2ccccn2)cc1 832272693 JAUQGCQWCDFGJO-OAHLLOKOSA-N 341.415 0.694 10 10 ECCE C[C@H]1CCNC[C@H]1NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 842171835 XPKAUEXNRHZGNL-WMLDXEAASA-N 342.443 0.793 10 10 ECCE O=C(NCCCSc1nccs1)C(=O)N[C@H]1CCCCNC1 842091557 FNLDWAKRVTWKTR-NSHDSACASA-N 342.490 1.000 10 10 ECCE CC[C@H](N)CNC(=O)NCCN1CCN(c2ccc(OC)cc2)CC1 841749344 CUBBBSNAASESDS-HNNXBMFYSA-N 349.479 0.854 10 10 ECCE Cn1ccc(CNC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)n1 788933473 VNSOHEMMXHCXIZ-UHFFFAOYSA-N 341.415 0.953 10 10 ECCE C[C@@](O)(Cn1ccccc1=O)C(=O)OCC(=O)c1ccc(O)c(O)c1 790684425 JFSUUKDYSBRPDA-QGZVFWFLSA-N 347.323 0.437 10 10 ECCE COc1ccc(CNC2(CNC(=O)[C@H]3CNC(=O)N3)CC2)cc1C 1323525405 MSYHHWIIQODBBN-CYBMUJFWSA-N 332.404 0.423 10 10 ECCE O=C(O)[C@@H]1[C@H](O)[C@@H](O)CN1Cc1ccc(Br)cc1O 2136115457 MVNRWXMFXSVXSY-GARJFASQSA-N 332.150 0.145 10 10 ECCE COc1ccc(CNC[C@H](C)NC(=O)C[C@@H]2NC(=O)NC2=O)cc1C 1715981269 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1637706041 SLKIFDQSOBWEBP-UHFFFAOYSA-N 345.421 0.515 10 10 ECCE Cn1ccn2c(CNC(=O)NCc3c(O)cccc3F)nnc2c1=O 1687434017 NBCNAONXWRPBBJ-UHFFFAOYSA-N 346.322 0.272 10 10 ECCE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](O)[C@H]1C(=O)NCCCCN=[N+]=[N-] 2022958880 HZPDTLQLXLPLAG-DCAQKATOSA-N 343.384 0.534 10 10 ECCE C[C@@H](N)c1ccc(N2CC[C@](O)(C(N)=O)C2)c(Br)c1 388857017 BZSROYPQHGFRAO-AMIZOPFISA-N 328.210 0.895 10 10 ECCE CN(Cc1cnccn1)C(=O)c1cc(NS(C)(=O)=O)ccc1O 735522220 WBEWBFYMUHXMMV-UHFFFAOYSA-N 336.373 0.826 10 10 ECCE COC(=O)CC[C@H](N)C(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 831748801 NVOYIMNOEHAGES-BBRMVZONSA-N 349.431 0.918 10 10 ECCE CNS(=O)(=O)NCC(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C 840554137 DAIFRLQTQZCPRS-LBPRGKRZSA-N 342.465 0.162 10 10 ECCE COc1ccc(CNS(=O)(=O)C[C@H](OC)[C@H]2CCOC2)c(O)c1 849390821 ATUJBJRYPGVALW-WFASDCNBSA-N 345.417 0.872 10 10 ECCE C[C@@H]1CN(c2ccc(CNC(=O)CNC(N)=O)cc2F)C[C@@H](C)O1 918703253 UYEXDMYNJLRIDR-GHMZBOCLSA-N 338.383 0.724 10 10 ECCE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CN1C(=O)NC(=O)C1(C)C 773740767 SUYKVFRHHSPECD-VIFPVBQESA-N 335.360 0.475 10 10 ECCE CO[C@H]1COCC[C@H]1N(C)C(=O)C(=O)NCc1ccc(N(C)C)cc1 897361458 IMFYAESQPJUXQC-CVEARBPZSA-N 349.431 0.631 10 10 ECCE COC(=O)[C@H]1CCCN(CC(=O)NCc2c(O)cccc2O)C1=O 1304054282 MCTGMQHLPZRBSC-JTQLQIEISA-N 336.344 0.126 10 10 ECCE CS(=O)(=O)N1CC[C@H](CNC(=O)c2c(F)ccc(O)c2O)C1 1558952716 KCHDEOGFMXRRDJ-MRVPVSSYSA-N 332.353 0.248 10 10 ECCE COc1ccc(Br)c(CN[C@@H]2CCO[C@@H]2C(N)=O)c1O 2236054258 GRRHBTWJWXHPED-SKDRFNHKSA-N 345.193 0.896 10 10 ECCE CCCCN1C(=O)C(=CNNCCN(CC)CC)C(=O)NC1=S 2296931586 XHKGPQVMGBTNJZ-UHFFFAOYSA-N 341.481 0.350 10 10 ECCE O=C(NCc1ccc(N2CCSCC2)cc1)C1CS(=O)(=O)C1 864918398 FPAMACMVYVOROU-UHFFFAOYSA-N 340.470 0.901 10 10 ECCE COc1ccc(N2CC[C@H](NC(=O)N[C@H](CO)[C@@H]3CCOC3)C2)cc1 1312993422 AUFJZHCEAPNONP-JKIFEVAISA-N 349.431 0.971 10 10 ECCE CN(C)c1ccc(CNC(=O)C(=O)NCCCc2ncn(C)n2)cc1 1329316278 ZFEUKVGCAAFUEQ-UHFFFAOYSA-N 344.419 0.246 10 10 ECCE Cc1[nH]c2ccnn2c(=O)c1CC(=O)NCc1ccc(O)cc1O 1643104307 UHVMXMHJEQHLCE-UHFFFAOYSA-N 328.328 0.601 10 10 ECCE COc1ccc(CNC[C@H](O)CNC(=O)c2cc(C)[nH]n2)cc1C 1667796653 WHMKHNDEERJUFV-AWEZNQCLSA-N 332.404 0.916 10 10 ECCE CNCc1ccc(N2CCC(O)(C(N)=O)CC2)c(Br)c1 380481583 LEPFUTVYDDHODO-UHFFFAOYSA-N 342.237 0.985 10 10 ECCE CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](COc2nnc(=N)[nH]n2)C1 2213785694 PLQQSXDHKXZNEO-QMMMGPOBSA-N 346.338 0.950 10 10 ECCE NCc1ccc(N2C[C@H](O)[C@@H](O)[C@@H](CO)C2)cc1Br 2273651584 QCRBRNGQUNKJOW-ICCXJUOJSA-N 331.210 0.058 10 10 ECCE C[C@H](N)c1ccc(N2C[C@@H](O)[C@@H](O)[C@@H]2CO)c(Br)c1 2332919999 LEFRIXVIAZGJAC-VGYUKGMSSA-N 331.210 0.372 10 10 ECCE Cc1nc(NN(C)S(=O)(=O)C(C)C)sc1S(N)(=O)=O 2339776034 YPZRIGVBXTUCPU-UHFFFAOYSA-N 328.441 0.096 10 10 ECCE Cc1ccc(CNC(=O)[C@H]2C[C@H](O)CN2)c(O)c1Br 2352637146 IZOLSQLUXKQUJY-VHSXEESVSA-N 329.194 0.802 10 10 ECCE C[C@H]1CN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)CCN1CCO 187671279 PZWQNTKRVJEUFI-INIZCTEOSA-N 348.491 0.709 10 10 ECCE 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C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)NCc1ccc2cccnc2c1O 862027180 LJTQEXYCPSUGAI-HZMBPMFUSA-N 343.383 0.832 10 10 ECCE CNC(=O)[C@H]1CCCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C1 1118942622 NRNDKCKCVPIKBB-LBPRGKRZSA-N 331.372 0.219 10 10 ECCE COC[C@@H](O)CNC1(CNC(=O)c2ccc(N=NC(N)=O)cc2)CC1 1277259001 GQTQJZNIOMGATC-ZDUSSCGKSA-N 349.391 0.708 10 10 ECCE NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)[C@H]3CCC(=O)O3)cc2)C1 1355489851 PQFOFPCJLCEZKQ-DZGCQCFKSA-N 345.399 0.710 10 10 ECCE CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@](C)(O)CC 1296054279 HPBCTABAYIPXQG-ZBEGNZNMSA-N 325.361 0.849 10 10 ECCE COCC(=O)N[C@@H](C)[C@H](C)NCc1nnnn1-c1ccc(OC)cc1 1485112782 SVKZFDRGVACUBC-RYUDHWBXSA-N 348.407 0.300 10 10 ECCE CNS(=O)(=O)[C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 1566644796 ZXLXNTFJLNPACD-LLVKDONJSA-N 339.377 0.613 10 10 ECCE O=C(Cc1ccc(-n2cnnn2)cc1)NCc1c(O)cccc1O 1647269713 KAZLLGQSNCGFJN-UHFFFAOYSA-N 325.328 0.932 10 10 ECCE CC(C)(C)OC(=O)NC[C@@H](O)CNC(=O)COc1ccc(N)cc1 2011424329 HJIGJEMZXJKSAU-LBPRGKRZSA-N 339.392 0.649 10 10 ECCE CC(C)[C@]1(C(=O)O)N[C@H](c2ccc(O)c(O)c2)[C@@H]2C(=O)NC(=O)[C@@H]21 248191508 LLGIIQSEJVXBIT-QHSOUUPTSA-N 334.328 0.110 10 10 ECCE CO[C@@H]1[C@H](N=[N+]=[N-])[C@H](OC(C)=O)O[C@@H](COC(C)=O)[C@H]1OC(C)=O 575449065 NHLYMRLNKVUZPW-KIJLLGNVSA-N 345.308 0.463 10 10 ECCE O=C(/C=C\c1ccc(O)c(O)c1)N1CCO[C@@H](CN2CCOCC2)C1 1330604102 QMCQQLSBTRHCNI-HKLWWIALSA-N 348.399 0.671 10 10 ECCE COc1ccc(N2CC[C@@H](NC(=O)NCc3nc(N)n[nH]3)C2)cc1 1254330141 AGVAWIUYLNRDJJ-SNVBAGLBSA-N 331.380 0.474 10 10 ECCE COc1ccc(CNCC[C@@H](C)NC(=O)c2nnn(C)n2)cc1C 1482863344 JMQXYHUJIZONQB-GFCCVEGCSA-N 332.408 0.825 10 10 ECCE CCC(=O)NC[C@@H](C)CNCc1nnnn1-c1ccc(OC)cc1 1715216770 AGYKTAWKKCHFPO-LBPRGKRZSA-N 332.408 0.923 10 10 ECCE COc1ccc(CNC[C@@H](C)CNC(=O)c2nnn(C)n2)cc1C 1714420704 GOUNZFRJEPRUDK-LLVKDONJSA-N 332.408 0.683 10 10 ECCE CC[C@H](O)Cn1cc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)nn1 1624954142 DVNCDPXUKADZRQ-PWSUYJOCSA-N 334.376 0.821 10 10 ECCE COc1ccc(O)c([C@@H](C)NC(=O)CCS(=O)(=O)N(C)C)c1 1595799713 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2062968376 MQTNXGDRPGFXIR-GFCCVEGCSA-N 346.435 0.499 10 10 ECCE O=C(O)[C@@]1(O)CCN(Cc2ccc(Br)cc2O)C[C@@H]1O 2197460938 GKYNSJNQHNHFDM-WCQYABFASA-N 346.177 0.537 10 10 ECCE COc1ccc(Br)c(CN[C@H]2CN(C)NC2=O)c1O 2227747443 AFEKTMQRXXPLKA-VIFPVBQESA-N 330.182 0.598 10 10 ECCE C[C@@H](O)c1ccc(N2C[C@H](O)[C@H](O)[C@H](CO)C2)cc1Br 2289499193 TUISXQLEZJFYBP-OBPYKSBLSA-N 346.221 0.653 10 10 ECCE CCN[C@H](C)CNC(=O)C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 851688497 BRHJHMLXLTVPRX-ZIAGYGMSSA-N 348.447 0.504 10 10 ECCE CN(C)c1ccc(CNC(=O)NC[C@@]2(OCCO)CCOC2)cc1 853244592 OQBOTHLRKFBQLM-KRWDZBQOSA-N 337.420 0.720 10 10 ECCE Cc1cc(C(=O)NC[C@H](C)S(N)(=O)=O)c(C)n1-c1ccccn1 768602273 VVQUJUUVPDBICY-NSHDSACASA-N 336.417 0.896 10 10 ECCE COc1ccc(CNC[C@H](C)CNC(=O)c2nnn(C)n2)cc1C 1714420706 GOUNZFRJEPRUDK-NSHDSACASA-N 332.408 0.683 10 10 ECCE COc1ccc(CNCCN(C)C(=O)CN2C(=O)CNC2=O)cc1C 1567602841 JWTXOADDXVTHKY-UHFFFAOYSA-N 348.403 0.103 10 10 ECCE C[C@@H](CNC(=O)c1cc2cc(O)c(O)cc2s1)S(N)(=O)=O 1630818043 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0.771 10 10 ECCE Nc1ccc(Cc2nc(C(=O)N3CC[C@@H](O)[C@@H](O)C3)cs2)cc1 870982467 IEOMZRWLIHPJKM-KGLIPLIRSA-N 333.413 0.884 10 10 ECCE COC(=O)[C@H]1CCN(C(=O)C(=O)NCc2ccc(N(C)C)cc2C)C1 1323277429 IJRYXYHJWNZORW-AWEZNQCLSA-N 347.415 0.699 10 10 ECCE CO[C@H]1CN(C(=O)C(=O)N2Cc3cccc(O)c3C2)[C@](C)(CO)C1 1330520066 MTBMTSXFGSHJEJ-PXAZEXFGSA-N 334.372 0.233 10 10 ECCE CN(Cc1ccc(N2CCCC2)cc1)C(=O)Cn1cnc(C(N)=O)n1 1351671939 BLVDCFBCLSYREW-UHFFFAOYSA-N 342.403 0.636 10 10 ECCE CS(=O)(=O)Nc1ccc(C(=O)NCc2ccc(O)cc2O)cn1 1626850086 OJCJXRGOBOSTRU-UHFFFAOYSA-N 337.357 0.794 10 10 ECCE CC(=O)N[C@H](C)C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 1626090525 LHCVCULELXTSNH-GFCCVEGCSA-N 346.431 0.529 10 10 ECCE O=C(N[C@H](CO)C(=O)OCc1ccccc1)c1cccc(O)c1O 1632169510 XJNWMOXZVAGARZ-CYBMUJFWSA-N 331.324 0.932 10 10 ECCE C[C@H](CCNC(=O)c1ccc(N=NC(N)=O)cc1)N[C@H]1CCNC1=O 1663019982 LSBNJSIKNBCEHI-MFKMUULPSA-N 346.391 0.836 10 10 ECCE COC(=O)/C=C\c1ccc(N2CCN3C(=O)NC[C@@H]3C2)c([N+](=O)[O-])c1 1772838400 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CN(C)C(=O)CNCCCN(C)C(=O)c1ccc(N=NC(N)=O)cc1 1699556349 XZZIGRUJLFGLGO-UHFFFAOYSA-N 348.407 0.989 10 10 ECCE OCc1ccc(N2C[C@H](O)[C@@H](O)[C@@H](CO)C2)cc1Br 2273672227 NUOAETMUNZXUSZ-ICCXJUOJSA-N 332.194 0.092 10 10 ECCE COC[C@@H]1[C@H](O)[C@H](O)CN1c1ccc(CN)c(Br)c1F 2234074432 NHVBSRSRLIHTRF-BREBYQMCSA-N 349.200 0.604 10 10 ECCE COC[C@@H]1[C@H](O)[C@@H](O)CN1c1cc(Br)c(CN)cc1F 2234073852 LGDFLQIXGAMDPP-AGIUHOORSA-N 349.200 0.604 10 10 ECCE NCc1ccc(N2C[C@@H]3OC[C@@H](CO)O[C@H]3C2)c(Br)c1 2279774732 JZGPXRMZJFWZGT-SWHYSGLUSA-N 343.221 0.873 10 10 ECCE O=C1N=C(N2CCN(CCO)CC2)S/C1=C/c1ccccc1O 20289510 IGFDLRQFNXTZKU-SDNWHVSQSA-N 333.413 0.972 10 10 ECCE CC[C@@](C)(NCC(=O)N1CCN(c2ccc(OC)cc2)CC1)C(N)=O 177136460 MHWGFVAYCQWKLE-GOSISDBHSA-N 348.447 0.587 10 10 ECCE COC(=O)CC[C@@H](N)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 827725421 IDHQWPWTAFNHQS-XJKSGUPXSA-N 349.431 0.981 10 10 ECCE COC(=O)CC1CC(NC(=O)C(=O)N2Cc3cccc(O)c3C2)C1 1119908620 JTKCCMAZRQDXHS-UHFFFAOYSA-N 332.356 0.692 10 10 ECCE C[C@@H](CO)N(C)C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 768051011 YSKLPUQZYYVKII-ZFWWWQNUSA-N 348.447 0.911 10 10 ECCE NCc1ccc(N2CC3(C2)OC[C@@H](O)[C@@H]3O)cc1Br 2127249409 DVWZENOPAAMOIG-NEPJUHHUSA-N 329.194 0.219 10 10 ECCE COC(=O)[C@@H]1CN(C(=O)Cc2ccc(O)c(O)c2)C[C@H]1C(=O)OC 1640537721 MFSMBEAAMLPJOH-GHMZBOCLSA-N 337.328 0.061 10 10 ECCE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](O)[C@@H]1CNCc1ccccc1O 2213510071 XQBRXMTVPNTQSV-AEGPPILISA-N 338.404 0.823 10 10 ECCE CC(=O)O[C@H]1[C@H](OC(C)=O)[C@@H](CN=[N+]=[N-])O[C@@]1(O)[C@@H](C)OC(C)=O 96327899 VUIXCYPPYJEKEA-XQEGPDNTSA-N 345.308 0.199 10 10 ECCE CCS(=O)(=O)N(C)CC(=O)N[C@H](C)c1cc(OC)ccc1O 1294936734 JLZKCZOZXWVKAX-SNVBAGLBSA-N 330.406 0.860 10 10 ECCE COc1ccc(CNC[C@@H](O)CNC(=O)[C@H](C)NC(C)=O)cc1C 1482706416 WNJGYNUDHRXJSC-SWLSCSKDSA-N 337.420 0.095 10 10 ECCE CC1(C)C[C@@H](O)CN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)C1 1643719413 BSYDAKPBWAVTEY-LLVKDONJSA-N 342.417 0.997 10 10 ECCE CN(C)CCN1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1=O 1583537401 MHRHEVGIVGMONX-UHFFFAOYSA-N 346.391 0.695 10 10 ECCE COc1ccc(CNC[C@@H](O)CNC(=O)[C@H]2CCNC(=O)C2)cc1C 1699045136 DWSPPPFQXWIHLU-LSDHHAIUSA-N 349.431 0.097 10 10 ECCE C[C@H](N)c1ccc(N2CCNC(=O)[C@@H]2C(N)=O)c(Br)c1 2184142259 XTVITEUKYYEMGU-CPCISQLKSA-N 341.209 0.259 10 10 ECCE CNC(=O)NC[C@H]1CN(C(=O)c2c(F)ccc(O)c2O)CCO1 530273837 OOSALBFQBFTIBD-QMMMGPOBSA-N 327.312 0.007 10 10 ECCE Cn1nncc1CC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 828155983 FDLCAKAHGAIXGA-UHFFFAOYSA-N 343.431 0.883 10 10 ECCE O=C(NCc1ccc(N2CCOCC2)c(F)c1)N[C@H](CF)C(=O)O 908852192 UMGYYVMCSMYPHQ-GFCCVEGCSA-N 343.330 0.884 10 10 ECCE CN1CCCc2cc(CNC(=O)C(=O)N3CC[C@@]4(O)C[C@H]4C3)ccc21 1118670219 VDWGKACPRWYUEL-HNAYVOBHSA-N 343.427 0.669 10 10 ECCE COc1cccc(CNC(=O)C(=O)Nc2cc(OC)n(C)n2)c1O 773349439 MQMAZTHPJIEUNO-UHFFFAOYSA-N 334.332 0.398 10 10 ECCE COc1c([N+](=O)[O-])ccc(CN2CCC[C@@H]2CS(N)(=O)=O)c1O 774888588 RDDVYYOTSCRDPP-SNVBAGLBSA-N 345.377 0.562 10 10 ECCE C[C@@H](NC(=O)NCc1nnc2n1CCNC2=O)c1ccccc1O 1683737805 KMFKRKAURCPROI-SECBINFHSA-N 330.348 0.288 10 10 ECCE Cc1cc(O)n2ncc(C(=O)N(C)[C@@H]3CCCCN(C)C3=O)c2n1 2062869006 ZVTXPMFTHRBIMQ-GFCCVEGCSA-N 331.376 0.826 10 10 ECCE COC[C@@H](C(N)=O)N(C)CC(=O)N(C)Cc1ccc(N(C)C)cc1 815136003 MVBIMKSHYJOGBJ-HNNXBMFYSA-N 336.436 0.143 10 10 ECCE O=C1COc2cc([N+](=O)[O-])c(N3CCC(NCCO)CC3)cc2N1 811824393 VERGKMRZBVXGCN-UHFFFAOYSA-N 336.348 0.476 10 10 ECCE Cc1nc(C(=O)NCc2ccc(N(C)C)cc2)nn1-c1nc[nH]n1 1135825338 OXUSEDOJUKFSSW-UHFFFAOYSA-N 326.364 0.690 10 10 ECCE COc1ccc(CN[C@H](C)[C@@H](C)NC(=O)Cn2ncnn2)cc1C 1282128415 KKASOLQDDKJBPO-CHWSQXEVSA-N 332.408 0.673 10 10 ECCE C[C@H](NC(=O)/C=C/c1cn(C)c(=O)n(C)c1=O)c1ccccc1O 1454813943 DVPQBEQFQDCTNT-FBOQAHMBSA-N 329.356 0.680 10 10 ECCE COc1ccc(CNC[C@H](O)CNC(=O)Cn2nccc2C)cc1C 1482773772 TZCKJPGTSXGETP-INIZCTEOSA-N 346.431 0.775 10 10 ECCE C[C@@H](CNCC(=O)N(C)C)CNC(=O)c1ccc(N=NC(N)=O)cc1 1568209765 WIHJGLKSSQCIGB-NSHDSACASA-N 348.407 0.893 10 10 ECCE C[C@@H](C(=O)N(C)CC(=O)NCc1cc(O)ccc1O)n1cccn1 1651222591 KFOFOFBXXWGZLK-NSHDSACASA-N 332.360 0.630 10 10 ECCE C[C@H]1CNC(=O)CN1c1cc2c(cc1Br)[C@@H](O)C(=O)N2 2181167459 KLGCBYHENCWNSE-PWCHPLFNSA-N 340.177 0.759 10 10 ECCE CN(c1ccc(CN)c(Br)c1F)[C@@H]1CC(=O)NC1=O 2114733701 YTNXDUADKMOTMM-MRVPVSSYSA-N 330.157 0.898 10 10 ECCE OCc1ccc(N2CC[C@@](O)(CO)[C@@H](O)C2)cc1Br 2225720512 AXUQTKMLRHWDNJ-QWHCGFSZSA-N 332.194 0.236 10 10 ECCE CC(C)(C)OC(=O)NC(CO)(CO)CNCc1ccc(O)cc1O 2249518756 HQYXAJDDTCCLBX-UHFFFAOYSA-N 342.392 0.436 10 10 ECCE CN(Cc1ccc(N(C)C)cc1)C(=O)CN1CCN2CCOC[C@H]2C1 368821698 COMHPOLTVMKIQJ-GOSISDBHSA-N 346.475 0.727 10 10 ECCE COC(=O)C[C@H]1CN(C(=O)C(=O)N2Cc3cccc(O)c3C2)CCO1 1348605974 HNIDQZZERKUBSL-LBPRGKRZSA-N 348.355 0.025 10 10 ECCE CN(C)CCN1CCN(C(=O)c2c(F)ccc(O)c2O)CC1=O 846660756 XWPJYNWAUHEWKP-UHFFFAOYSA-N 325.340 0.083 10 10 ECCE Cn1nnc2c1C[C@H](N1C(=O)CN(Cc3ccccc3O)C1=O)CC2 925469615 YHZHYUDKCLTIJR-GFCCVEGCSA-N 341.371 0.842 10 10 ECCE CC(C)(C)n1cc(CNC(=O)Cc2ccc(O)c(O)c2)c(O)nc1=O 1177385520 YFLVYKVGVPVQSU-UHFFFAOYSA-N 347.371 0.974 10 10 ECCE COC(=O)[C@@]1(N2CCN(Cc3cc(F)ccc3O)CC2)CCOC1 1329528963 BCDWSVZZFUHWKY-QGZVFWFLSA-N 338.379 0.981 10 10 ECCE CC[C@@H](C)C(=O)NC[C@H](CO)NC(=O)c1cc(OC)nc(OC)c1 1337530786 NNBWDJHBTTXKGX-ZYHUDNBSSA-N 339.392 0.352 10 10 ECCE COc1cc(C(=O)N[C@@H](CO)CNC(=O)CC(C)C)cc(OC)n1 1287734897 ORDIZFASWBYTGQ-GFCCVEGCSA-N 339.392 0.352 10 10 ECCE COc1ccc(CNC[C@@H](C)CNC(=O)[C@H]2CNC(=O)N2)cc1C 1568191761 LDZKUJJECGWFKA-BXUZGUMPSA-N 334.420 0.527 10 10 ECCE C[C@@H]1C[C@@H](CO)CN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)C1 1651082842 QNVRBLWSGBWVOS-GHMZBOCLSA-N 342.417 0.854 10 10 ECCE CCN(C)[C@@H]1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)C1 1654031442 WSJOKNNTPHJJRJ-GFCCVEGCSA-N 341.433 0.930 10 10 ECCE COc1cc(C(=O)N[C@@H](C)CNC(=O)[C@H]2CCOC2)cc(OC)n1 1688127459 DEUUKIOOSIJGRL-QWRGUYRKSA-N 337.376 0.370 10 10 ECCE COC(=O)c1cn(CCNC(=O)NCc2c(O)cccc2F)nn1 1682300967 NJNJVAWGVSJJIA-UHFFFAOYSA-N 337.311 0.409 10 10 ECCE CNC(=O)[C@@H]1CNCCN1Cc1cc(Br)ccc1O 234367282 WTEFYSGNNOPQID-NSHDSACASA-N 328.210 0.675 10 10 ECCE CC(C)(C)OC(=O)N1CCO[C@H]2[C@@H]1[C@H]2C(=O)C(=O)C[C@H]1C[C@H](N)C1 2003172947 RREVNWJRIZVKOF-KVUDVHCYSA-N 338.404 0.886 10 10 ECCE CN(CCNC(=O)OC(C)(C)C)CC(=O)C(=O)C[C@H]1C[C@H](N)C1 1980378827 YANDYCBLUAYNMB-HAQNSBGRSA-N 327.425 0.709 10 10 ECCE CC(C)(C)OC(=O)N1C[C@H]2OCC[C@@]2(COc2nnc(=N)[nH]n2)C1 2253389085 XKNCQEWKFSWEPW-OTYXRUKQSA-N 338.368 0.084 10 10 ECCE CN[C@H](C)c1ccc(N2C[C@@H](O)[C@@H](O)[C@H]2CO)cc1Br 2357915696 FMNWNFZDOPDGHM-OJICRYGUSA-N 345.237 0.632 10 10 ECCE CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H]1CCC(=O)N(C)C1 806190071 UUJGEDNHWQAKDX-CQSZACIVSA-N 347.415 0.868 10 10 ECCE Cn1cc(/C=C\C(=O)N2CCc3c(F)cccc32)c(=O)n(C)c1=O 492633625 PHNXNQIYZYVJHW-SREVYHEPSA-N 329.331 0.826 10 10 ECCE NCC1(CCNC(=O)C(=O)NCCCSc2nccs2)CC1 846330922 MEWAFHIQGUBPHV-UHFFFAOYSA-N 342.490 0.987 10 10 ECCE O=C1CN(Cc2ccccc2O)C(=O)N1C[C@@H]1C[C@@H]2COC[C@@H]2O1 925232199 KOBUJMITFDREFD-IPYPFGDCSA-N 332.356 0.960 10 10 ECCE COc1ccc(N2CC[C@@H](NC(=O)N[C@H]3CCN(C)C3=O)C2)cc1 852135597 UMUBEFSCZDFPHJ-DOMZBBRYSA-N 332.404 0.804 10 10 ECCE CN(C)CCC[C@H]1CN(C(=O)C(=O)Nc2ccc(N)cc2)CCO1 850866952 HKCCDEDODAYHKS-HNNXBMFYSA-N 334.420 0.777 10 10 ECCE CC[C@@H]1NCC[C@H]1NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 861755715 SOXOMKHWURJJSQ-DLBZAZTESA-N 342.443 0.936 10 10 ECCE CCOC(=O)CC(C)(C)CC(=O)C(=O)CCCn1c(O)nnc1O 1157102921 RUMFMJTXFHYBDM-UHFFFAOYSA-N 341.364 0.977 10 10 ECCE CN1CCn2ncc(C(=O)N3Cc4cccc(O)c4C3)c2S1(=O)=O 1350144416 QQIRFHRXLHLLPD-UHFFFAOYSA-N 348.384 0.379 10 10 ECCE CN(C)c1ccc(CNC(=O)CN2C(=O)N[C@@]3(CCOC3)C2=O)cc1 1559395511 WUZSNDXONFWKQF-QGZVFWFLSA-N 346.387 0.080 10 10 ECCE COc1ccc(CN[C@H]2CN(C(=O)CCNC(N)=O)C[C@@H]2C)cc1C 1733857200 MALJDTCLHSMCOI-ZFWWWQNUSA-N 348.447 0.999 10 10 ECCE COc1cc(C(=O)N[C@@H](C)CN(C)C(=O)c2ncc[nH]2)cc(OC)n1 1572255425 FIKSTXWVVFPGIU-JTQLQIEISA-N 347.375 0.712 10 10 ECCE Cn1cccc1C(=O)N1CCN(C(=O)Cc2ccc(O)c(O)c2)CC1 1642056793 CHBFTRMXQINULA-UHFFFAOYSA-N 343.383 0.963 10 10 ECCE O=C1NC(=S)NC(=O)C1=Cc1cn(C[C@@H]2CO2)c2ccccc12 220975107 FGQIBCUJIIOSCY-SNVBAGLBSA-N 327.365 0.954 10 10 ECCE NCc1ccc2c(c1)CCCN2CC(=O)N[C@@H]1CCS(=O)(=O)C1 1118196696 HAQPEGMIEFHMPF-CQSZACIVSA-N 337.445 0.201 10 10 ECCE NCc1cc(F)c(N2C[C@H]3C(=O)NC(=O)[C@H]3C2)cc1Br 387038380 ULPKFOSBXUQUEV-OCAPTIKFSA-N 342.168 0.756 10 10 ECCE CNCc1ccc(N2C[C@H](O)[C@@H](O)[C@@H]2COC)cc1Br 2234076975 XZZVSBOVCUGVAY-IHRRRGAJSA-N 345.237 0.725 10 10 ECCE C[C@@H](N)c1ccc(N2C[C@@H](O)[C@@H](O)[C@H]2CO)cc1Br 2332921267 ZURHPOWYGSOZOQ-YAUNCSCZSA-N 331.210 0.372 10 10 ECCE COc1ccc(N2CCN(C(=O)NCCN3CCOCC3)CC2)cc1 45547661 UVJQWANMJTZTRC-UHFFFAOYSA-N 348.447 0.859 10 10 ECCE C[C@H]1CC[C@H](C(N)=O)CN1CC(=O)NCc1ccc(N(C)C)cc1 839480727 LZLMOOLRJLFMSE-ZFWWWQNUSA-N 332.448 0.955 10 10 ECCE Cn1cc(/C=C/C(=O)N2CCCc3cccc(O)c32)c(=O)n(C)c1=O 155658590 RALNEGNXJFCERU-CMDGGOBGSA-N 341.367 0.782 10 10 ECCE CC(=O)N1CCO[C@@H](C(=O)NC[C@H](N)c2ccc(N(C)C)cc2)C1 911667076 MENTZAGEXNAIOH-JKSUJKDBSA-N 334.420 0.116 10 10 ECCE COc1ccc(N2CCN(C(=O)CN3CC[C@@]4(O)C[C@H]4C3)CC2)cc1 852537428 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C[C@H]1CN(c2ccc(CNC(=O)C3(O)COC3)cc2F)C[C@@H](C)O1 1141901603 ITLQBNBGNRXILC-TXEJJXNPSA-N 338.379 0.817 10 10 ECCE COCCO[C@@H]1C[C@@H](CO)CN(C(=O)Cc2ccc(O)c(O)c2)C1 1467651426 IAMYIMBXSWQCSR-ZIAGYGMSSA-N 339.388 0.513 10 10 ECCE CO[C@H](C)CNC[C@H](O)CNC(=O)c1ccc(N=NC(N)=O)cc1 1482800329 ASZZSXKOORYCPT-MFKMUULPSA-N 337.380 0.564 10 10 ECCE C[C@H](CNCC(=O)NC1CC1)NC(=O)c1ccc(N=NC(N)=O)cc1 1497995236 WQBALKHSKMFSMV-SNVBAGLBSA-N 346.391 0.836 10 10 ECCE CN(CCNC(=O)c1ccc(N=NC(N)=O)cc1)CC(=O)NC1CC1 1492887830 MTJLBPWJTAPGLV-UHFFFAOYSA-N 346.391 0.789 10 10 ECCE O=C1Nc2cc(N3CC[C@@H]3[C@@H](O)CO)c(Br)cc2[C@@H]1O 2286206162 HHDYDGMZUXNXDW-USWWRNFRSA-N 343.177 0.367 10 10 ECCE CN(C)CCCNC=C1C(=O)NC(=O)N(c2ccc(F)cc2)C1=O 2295934247 OECYPQALNJBUCA-UHFFFAOYSA-N 334.351 0.834 10 10 ECCE CNCc1ccc(N2C[C@@H](O)[C@@H](O)[C@H]2CO)c(Br)c1 2332922922 JIFDCJOEIZOOHU-UPJWGTAASA-N 331.210 0.071 10 10 ECCE CNC(=O)NC[C@@H]1CN(Cc2cc(F)cc(C(C)=O)c2O)CCO1 528630308 ZTVCBIMCWFQGSW-CYBMUJFWSA-N 339.367 0.864 10 10 ECCE CO[C@@H]1O[C@H](CN=[N+]=[N-])[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 256000007 RRMTXDYAGCJCDG-NZEXEKPDSA-N 345.308 0.463 10 10 ECCE CN(C)S(=O)(=O)N1CCCN(C(=O)c2cccc(O)c2O)CC1 365778906 BHYCPUUYYURAIH-UHFFFAOYSA-N 343.405 0.052 10 10 ECCE O=C(CCOC1CNC1)NCc1ccc(N2CCOCC2)c(F)c1 827357492 SVOBOIFQDPNZEH-UHFFFAOYSA-N 337.395 0.657 10 10 ECCE Cn1cc(/C=C\C(=O)N2CCCc3ccnc(O)c32)c(=O)n(C)c1=O 912625399 INBPZGUOAOKZEG-WAYWQWQTSA-N 342.355 0.177 10 10 ECCE C/C=C/[C@H](O)C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 924254247 XHOXYVDQUNLUEU-KZSQQDEKSA-N 331.416 0.942 10 10 ECCE CN1CCN(c2ccc(CNC[C@@H]3COCCN3C)cc2F)CC1 1331521620 SPJBLAZITXRPNB-MRXNPFEDSA-N 336.455 0.998 10 10 ECCE CN(C)c1ccc(CNC(=O)C(=O)N2C[C@H]3COC[C@@]3(C)C2)cc1 1347410637 JADONLYSKZXHOF-KBXCAEBGSA-N 331.416 0.864 10 10 ECCE CCN1CCN(c2ccc(CNC(=O)C3(O)COC3)cc2F)CC1 1443589272 CILNDOWQIOTHQT-UHFFFAOYSA-N 337.395 0.345 10 10 ECCE O=C(NCc1ccc(O)cc1O)[C@@H]1C[C@@H](O)CN1c1ccncn1 1451763296 AHAUSXRYRZDSFR-OLZOCXBDSA-N 330.344 0.144 10 10 ECCE CN(C)c1ccc(CNC(=O)c2cnn(C)c2-n2cnnc2)cc1 1540417667 XBSANJVHHQCLBP-UHFFFAOYSA-N 325.376 0.997 10 10 ECCE COC(=O)[C@H]1CS(=O)(=O)CCN1Cc1ccc(N(C)C)c(C)c1 1655001731 VQWJLYFLOITRLS-OAHLLOKOSA-N 340.445 0.833 10 10 ECCE C[C@H](N)c1ccc(N2C[C@H](O)[C@@H](O)[C@@H](CO)C2)c(Br)c1 2289397922 HNIKEILZJKLKDY-HNGHSSNUSA-N 345.237 0.619 10 10 ECCE CN1C(=O)C(=Cc2ccc3c(c2)n(C)c(=O)n3C)C(=O)NC1=S 2294216521 UFHNFUKCCAZBBX-UHFFFAOYSA-N 330.369 0.134 10 10 ECCE NC(=O)C[C@H]1CNCCN1Cc1cc(Br)cc(F)c1O 2369303168 KMDIPAHMMUTOGX-JTQLQIEISA-N 346.200 0.943 10 10 ECCE CN1CCCc2cc(CNC(=O)NC[C@@H]3CC[C@@H](C(N)=O)O3)ccc21 246393809 IGYJSOLMCWNDOA-HOCLYGCPSA-N 346.431 0.901 10 10 ECCE CCN1CC[C@H](CNC(=O)c2cc(NS(C)(=O)=O)ccc2O)C1 266947787 SGSLGGCAYAQBBV-LLVKDONJSA-N 341.433 0.835 10 10 ECCE CS(=O)(=O)N1CCCC[C@@H]1CNC(=O)c1c(F)ccc(O)c1O 831915727 RPHWIAPFDWHIIY-SECBINFHSA-N 346.380 0.781 10 10 ECCE CNCCCNC(=O)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 851688271 VIFVSNDPSGTTSH-ZDUSSCGKSA-N 334.420 0.116 10 10 ECCE C[C@H](NC(=O)C(=O)NCC12CC(CN1)C2)c1ccc(N(C)C)cc1 851687043 YJLQEXINTZEHSU-ZVLZOBCMSA-N 330.432 0.798 10 10 ECCE CCOC(=O)c1cnn2c(O)cc(CN3CCC4(COC4)C3)nc12 852683621 MTJBYYPYKNSGHV-UHFFFAOYSA-N 332.360 0.834 10 10 ECCE COC[C@]1(C)CN(C(=O)C(=O)N2Cc3cccc(O)c3C2)CCO1 1119022988 KCWYJIZGIRCLQT-KRWDZBQOSA-N 334.372 0.498 10 10 ECCE COCC(=O)NCC1(NCc2nnnn2-c2ccc(OC)cc2)CC1 1323371774 WIPYXPDKPCAVHT-UHFFFAOYSA-N 346.391 0.056 10 10 ECCE N[C@H]1C(=O)Nc2cc(N3CC(CO)(CO)C3)c(Br)cc21 1914977749 BMNDVOXSKPNAPP-LLVKDONJSA-N 342.193 0.192 10 10 ECCE COCCOCCc1ncc(C(=O)NCc2ccc(O)cc2O)[nH]1 1469158543 AUSRNMQWVFNVEW-UHFFFAOYSA-N 335.360 0.956 10 10 ECCE CS(=O)(=O)N1CC(NCc2ccc(Br)cc2O)C1 1963495884 XVVDYYPDJJKZDF-UHFFFAOYSA-N 335.223 0.888 10 10 ECCE CC(C)(C)OC(=O)N1C[C@H]2CCO[C@@]2(COc2nnc(=N)[nH]n2)C1 2217056178 ZVRGWFDLMCIUFI-YMTOWFKASA-N 338.368 0.084 10 10 ECCE C[C@H](O)c1ccc(N2C[C@H](O)[C@@H](O)[C@@H](CO)C2)cc1Br 2289358523 TUISXQLEZJFYBP-WAYYCVMKSA-N 346.221 0.653 10 10 ECCE CC(=O)C(=O)COC(=O)CCCOc1ccc(S(C)(=O)=O)cc1 808508393 DXBJZYLCDWVBEO-UHFFFAOYSA-N 342.369 0.950 10 10 ECCE COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CCN=C3C2=NNN3C)c1 830541105 SIJHEJFIHJKKOL-GXSJLCMTSA-N 331.376 0.802 10 10 ECCE Cn1ncnc1C1(O)CN(Cc2ccc(N3CCC(O)CC3)cc2)C1 895617204 XREDERDAGXBGCH-UHFFFAOYSA-N 343.431 0.480 10 10 ECCE COc1ccc(N2CCN(C(=O)[C@@]3(C)C[C@H](O)CN3C)CC2)cc1 899940093 FYGLDWMJAGBXDP-MAUKXSAKSA-N 333.432 0.799 10 10 ECCE COc1ccc(O)c([C@@H](C)NC(=O)C2(OC)CS(=O)(=O)C2)c1 1545684186 NMUZDXGADIJCFI-SECBINFHSA-N 329.374 0.392 10 10 ECCE CS(=O)(=O)Cc1nc(C(=O)NCc2ccc(O)c(O)c2)co1 1545639655 YBQIIVJARKFEIV-UHFFFAOYSA-N 326.330 0.560 10 10 ECCE CNC(=O)CN[C@@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)C1CC1 1480067957 CMZIYOVWRMUKNS-ZDUSSCGKSA-N 346.391 0.693 10 10 ECCE COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)CCC(N)=O 1623928118 GBLJYJZJFMWDCZ-UHFFFAOYSA-N 328.752 0.813 10 10 ECCE CS(=O)(=O)C1(C(=O)NCc2ccc(O)cc2O)CCOCC1 1630301646 FLOLWJWWFIMNFZ-UHFFFAOYSA-N 329.374 0.308 10 10 ECCE 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COc1cncc(O[C@H]2CCCN(C(=O)c3cc(O)nc(O)c3)C2)n1 238827998 FFDMHNXNZGVVBQ-NSHDSACASA-N 346.343 0.975 10 10 ECCE CC(=O)C(=O)COC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 808495842 RGKHNWFBEOOQIN-NSHDSACASA-N 347.323 0.512 10 10 ECCE COc1cc(CN2C[C@H]3[C@H](OC)CS(=O)(=O)[C@H]3C2)c(O)cc1C 853569845 GVZJUCCRBLNUEW-MAZHCROVSA-N 341.429 0.953 10 10 ECCE CCCN(Cc1ccccc1O)C(=O)C(=O)NCC12CC(CN1)C2 851690225 CBSCCEZHKHVZCP-UHFFFAOYSA-N 331.416 0.999 10 10 ECCE COc1ccc(CNC[C@@H](O)CNC(=O)C[C@H]2CCOC2)cc1C 1268324283 RIGYDFAYLAJSTJ-HZPDHXFCSA-N 336.432 0.997 10 10 ECCE CN(Cc1ccc(N2CCOCC2)cc1)[C@H]1CCN(CC(=O)O)C1=O 1261642708 RSATYCQIKYGHEX-INIZCTEOSA-N 347.415 0.641 10 10 ECCE Cn1[nH]c(C2CCN(C(=O)Cc3ccc(O)c(O)c3)CC2)nc1=N 1556356332 USRXHCCTQIZTNG-UHFFFAOYSA-N 331.376 0.588 10 10 ECCE C[C@@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)N[C@H]1CCN(C)C1=O 1774050388 WVOPEEYERFUKCA-GWCFXTLKSA-N 346.391 0.788 10 10 ECCE CC(C)(C)OC(=O)N[C@H](CO)CNCc1ccc(O)c(O)c1O 1985853048 INGMJDAIKAGEPI-JTQLQIEISA-N 328.365 0.779 10 10 ECCE OCC(CO)(CO)NCc1cc(Cl)cc(Br)c1O 708171859 OMVLPQJLGXAWFO-UHFFFAOYSA-N 340.601 0.613 10 10 ECCE NCc1ccc(N2CC([C@@H]3NC(=O)NC3=O)C2)cc1Br 2184960243 QPMNQZLTWOCOTD-NSHDSACASA-N 339.193 0.552 10 10 ECCE NC(=O)[C@H]1C[C@H](N)CN(Cc2c(O)cccc2Br)C1 2094656162 OCUHGOSJGGVWJM-IUCAKERBSA-N 328.210 0.789 10 10 ECCE CS(=O)(=O)N[C@@H]1CCN(Cc2ccc(N3CCOCC3)cc2)C1 93531043 HYWGUTVWHCZAQH-OAHLLOKOSA-N 339.461 0.647 10 10 ECCE Nc1ccc(NC(=O)C(=O)N2CC[C@@H](Nc3ncccn3)C2)cc1 843049039 DPVDTGSEPILXNT-CYBMUJFWSA-N 326.360 0.710 10 10 ECCE NCC12CC(CN1C(=O)C(=O)NCCCSc1nccs1)C2 851685323 QJIOZMYACWQVLM-UHFFFAOYSA-N 340.474 0.691 10 10 ECCE Cn1cc(/C=C\C(=O)N2CCc3nc(F)ccc32)c(=O)n(C)c1=O 857897338 GFLDVSYKCYQSSZ-UTCJRWHESA-N 330.319 0.221 10 10 ECCE CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)CNC(N)=O)cc1 757775764 MRVTVAHXNARSDS-HNNXBMFYSA-N 334.420 0.929 10 10 ECCE CNCCOCCNC(=O)NCc1ccc(N2CCOCC2)cc1 861565479 UMFFIWLNBVCHMV-UHFFFAOYSA-N 336.436 0.558 10 10 ECCE O=C(Nc1cccc(N2CCOCC2)c1)c1ccc2c(c1)B(O)OC2 863871508 PVFZOVFMQCABER-UHFFFAOYSA-N 338.172 0.993 10 10 ECCE COc1ccc(O)c(CNC(=O)[C@@](C)(O)Cn2ccccc2=O)c1 790712995 OOVMOHSJRQCEKG-KRWDZBQOSA-N 332.356 0.630 10 10 ECCE Cc1ccn(C[C@@](C)(O)C(=O)NCc2ccc(O)cc2O)c(=O)c1 1142534011 WKWQMCZBUVYPPM-QGZVFWFLSA-N 332.356 0.635 10 10 ECCE Cn1nccc1C1(O)CCN(C(=O)Cc2ccc(O)c(O)c2)CC1 1558180000 KLYKCVJZKVHXNX-UHFFFAOYSA-N 331.372 0.884 10 10 ECCE Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)Cn1c(O)nnc1O 1557063119 FMLDJMAFRNNKKE-LLVKDONJSA-N 333.392 0.811 10 10 ECCE CNC(=O)[C@@H]1COCCN1c1ccc(CN)cc1Br 130133104 RGUFKPMNEQDDPY-LBPRGKRZSA-N 328.210 0.859 10 10 ECCE O=C(COc1ccccc1)NCCNC(=O)c1cc(O)c(O)c(O)c1 169839046 VJWCTZXBUOZMMG-UHFFFAOYSA-N 346.339 0.728 10 10 ECCE O=C1N=c2ccccc2=C1NNC1=NC(=O)/C(=C/c2ccco2)S1 4610891 UPVRGZPDPAEDNZ-WQLSENKSSA-N 338.348 0.312 10 10 ECCE Nc1ccc(CC(=O)N[C@@H]2CCCCN2[C@H]2C(=O)CSC2=O)cc1 1865957010 ORSHGOKGNWKYTB-HOCLYGCPSA-N 347.440 0.951 10 10 ECCE Cc1cc(O)n2ncc(C(=O)N3CC[C@@H](N(C)C(=O)N(C)C)C3)c2n1 2062435334 BBHDVHSPPOYFQL-LLVKDONJSA-N 346.391 0.571 10 10 ECCE NCc1ccc(N2CCOC[C@@H]2[C@H](O)CO)c(Br)c1 2090136809 SWWLDLKNNCCROO-CHWSQXEVSA-N 331.210 0.466 10 10 ECCE NCc1ccc(N2C[C@@H](O)[C@@H](O)[C@H]2CF)c(F)c1Br 2333237733 QOKNQYMMNXEDBH-LNLATYFQSA-N 337.164 0.927 10 10 ECCE CCOc1ccc(CN2CCN(C(=O)N3CCNCC3)CC2)c(O)c1 530242631 MJBBZHFDLPCYCZ-UHFFFAOYSA-N 348.447 0.934 10 10 ECCE Cn1nnnc1CCNC(=O)NCc1ccc(N2CC=CC2)cc1 772004111 MMSXISNGANLBKG-UHFFFAOYSA-N 327.392 0.628 10 10 ECCE CC(=O)N1CC[C@H](CN(C)C(=O)C(=O)N2Cc3cccc(O)c3C2)C1 1118952995 OYFSKBUYCPZEMK-CYBMUJFWSA-N 345.399 0.561 10 10 ECCE COc1cc(C(=O)N[C@H](C)CNC(=O)c2cnn(C)c2)cc(OC)n1 1704009272 IRYISJPYQGLEST-SNVBAGLBSA-N 347.375 0.381 10 10 ECCE COc1ccc(CNC[C@H](O)CNC(=O)CN2CCCC2)cc1C 1497108712 AZKMTCVFFGOVJL-INIZCTEOSA-N 335.448 0.666 10 10 ECCE COc1ccc(CN[C@@H](CO)CNC(=O)[C@@H]2CCC(=O)NC2)cc1C 1571433843 SKMJRAWQCABTBM-HUUCEWRRSA-N 349.431 0.097 10 10 ECCE CN(Cc1ccccc1O)C(=O)[C@H](CO)NC(=O)c1cccc(F)n1 1588156405 ZAFJTJVOZUZYBD-ZDUSSCGKSA-N 347.346 0.676 10 10 ECCE CC(C)(C)OC(=O)N[C@]1(C(=O)C(=O)C[C@H]2C[C@H](N)C2)CCOC1 1980368794 CBGUWLRWYVCQRY-GLKRBJQHSA-N 326.393 0.936 10 10 ECCE COC[C@@H]1[C@@H](O)[C@H](O)CN1c1cc(Br)c(CN)cc1F 2234073854 LGDFLQIXGAMDPP-JHJVBQTASA-N 349.200 0.604 10 10 ECCE COc1ccc(Br)c(CNCc2nnnn2C)c1O 2227747695 FAHRMZDQSRPMIJ-UHFFFAOYSA-N 328.170 0.977 10 10 ECCE N[C@H]1C(=O)Nc2cc(N3CC([C@@H](O)CO)C3)c(Br)cc21 2361913500 NVZJNLXVYYHUMQ-NWDGAFQWSA-N 342.193 0.190 10 10 ECCE C[C@H]1CN(C(=O)C(=O)NCc2ccc(N(C)C)cc2)CC(=O)N1C 283390508 HBZHNMVKPNXGOC-LBPRGKRZSA-N 332.404 0.058 10 10 ECCE COC(OC)[C@@H](C)NC(=O)c1cc(NS(C)(=O)=O)ccc1O 293874692 JGNWBWMYINSGTO-MRVPVSSYSA-N 332.378 0.501 10 10 ECCE CN(C)S(=O)(=O)N1CCC[C@@H](NCc2ccc3c(c2)CCO3)C1 808424466 GUMAEHMYRZMWHB-OAHLLOKOSA-N 339.461 0.982 10 10 ECCE CS(=O)(=O)N1CCC[C@@H](NC(=O)NCc2c(O)cccc2F)C1 914378900 LINNVZURXYDCFN-SNVBAGLBSA-N 345.396 0.755 10 10 ECCE COC(=O)/C=C\c1ccc(N2CC[C@H](O)[C@H](CO)C2)c([N+](=O)[O-])c1 840384171 CRLUOTHGKAEPPW-WPCIHXCUSA-N 336.344 0.961 10 10 ECCE CN(C)c1ccc(CNC(=O)C(=O)N[C@H]2CCNC23CCC3)cc1F 861750920 XGCWDHRUSKVTIF-HNNXBMFYSA-N 348.422 0.909 10 10 ECCE O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)C1(O)COC1 1137440526 XPTPANKLBJIGDJ-ZDUSSCGKSA-N 340.807 0.888 10 10 ECCE NC(=O)C(NCc1cc(Cl)cc(Br)c1O)C(N)=O 708147386 ZUHOQKKIGJWSNE-UHFFFAOYSA-N 336.573 0.237 10 10 ECCE CCN(CC)c1ccc(CNC(=O)C(=O)NCc2cn(C)nn2)cc1 1328846033 JIZKMMBQTWLVFJ-UHFFFAOYSA-N 344.419 0.594 10 10 ECCE COc1ccc(CNC[C@@H](O)CNC(=O)[C@@]23COC[C@@H]2C3)cc1C 1268309824 ZBEWLPSXWFABSV-DAYGRLMNSA-N 334.416 0.607 10 10 ECCE CN(C)c1ccc(CNC(=O)C(=O)N2CCO[C@H](C(F)F)C2)cc1 1352272120 MWYXCGHYLJNZFQ-ZDUSSCGKSA-N 341.358 0.861 10 10 ECCE CN[C@H]1C(=O)Nc2cc(N3CCNC(=O)C3)c(Br)cc21 118711343 CWCLYJWDKRANRD-GFCCVEGCSA-N 339.193 0.598 10 10 ECCE C[C@H](NC(=O)c1nnc(O)nc1O)c1ccc(N2CCOCC2)cc1 1597908428 ODQWMLBDSQLHTN-JTQLQIEISA-N 345.359 0.610 10 10 ECCE N[C@H]1C[C@H]2CN(Cc3cc(Br)ccc3O)CCN2C1=O 1972665606 XYYSPEGPKGZYOW-RYUDHWBXSA-N 340.221 0.899 10 10 ECCE CC(C)(C)OC(=O)NC1CC([C@@H](F)COc2nnc(=N)[nH]n2)C1 2210651641 LJBXGDLDPZOGHA-HACHORDNSA-N 328.348 0.699 10 10 ECCE CC[C@@H](C)N1C(=O)C(=CNCCCn2ccnc2)C(=O)NC1=S 2296136211 VCPYPEKSZITYJJ-LLVKDONJSA-N 335.433 0.789 10 10 ECCE COc1cccc(O)c1CN1C[C@H]2[C@H](OC)CS(=O)(=O)[C@H]2C1 827388336 DHIUFEMYVGTANJ-GLQYFDAESA-N 327.402 0.645 10 10 ECCE C[C@H]1CNCC[C@@H]1NC(=O)C(=O)NCCCSc1nccs1 842092206 KGNABGKEPRTSDF-QWRGUYRKSA-N 342.490 0.856 10 10 ECCE C[C@@H](NC(=O)N1CC(S(N)(=O)=O)C1)c1ccc(N(C)C)cc1 922050943 HAQPQLUNJNRUPX-SNVBAGLBSA-N 326.422 0.496 10 10 ECCE CN1CCN(c2ccc(CNC[C@@]3(OCCO)CCOC3)cc2)CC1 850358669 UDVPKLSIWGAGSD-IBGZPJMESA-N 349.475 0.696 10 10 ECCE COC(=O)/C=C/c1ccc(N2CCO[C@H](CC(N)=O)C2)c([N+](=O)[O-])c1 858821471 JOFMVJVYIDYPFZ-OGOUPESXSA-N 349.343 0.862 10 10 ECCE C[C@H]1C[C@@H](NC(=O)C(=O)NCCc2ccc(N)cc2)c2ncnn21 1327842727 QYLAAFRQGOGTOZ-GXFFZTMASA-N 328.376 0.341 10 10 ECCE COC(=O)N1CCCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)CC1 1348597471 UIJFMLABNCRKGD-UHFFFAOYSA-N 347.371 0.535 10 10 ECCE O=C(C(=O)N(CCOCCO)C1CCC1)N1Cc2cccc(O)c2C1 1348652036 KXRVGWFMDDNYDM-UHFFFAOYSA-N 348.399 0.624 10 10 ECCE CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)Cc2ccc(O)c(O)c2)C1=O 1294367971 SXZLANRIMKJYTN-DIFFPNOSSA-N 347.371 0.477 10 10 ECCE Cc1nn(C)cc1C1=NO[C@H](C(=O)NCCc2ccc(O)c(O)c2)C1 1465981231 FQNKASSZBYGINW-INIZCTEOSA-N 344.371 0.992 10 10 ECCE CN(CCN(C)[C@@H]1CCNC1=O)C(=O)c1ccc(N=NC(N)=O)cc1 1716023512 IXTSGYCONFGPMI-CYBMUJFWSA-N 346.391 0.741 10 10 ECCE COc1ccc(CNC[C@H](O)CNC(=O)c2cncnc2C)cc1C 1482712718 XXRFPMJBMTZOPL-HNNXBMFYSA-N 344.415 0.983 10 10 ECCE CC1=C(C(=O)NCc2ccc(O)cc2O)[C@H](C)n2nnnc2N1C 1557084880 RMAIJBCXJVSGOP-VIFPVBQESA-N 330.348 0.686 10 10 ECCE Cn1ncc2c(O)nc(CCC(=O)NCc3cc(O)ccc3O)nc21 1633595028 FNRGDPZQIULBQR-UHFFFAOYSA-N 343.343 0.729 10 10 ECCE COc1ccc(CN[C@@H](CO)CNC(=O)c2cnnn2C)cc1C 1734366617 VYNKBDODCIMQNU-CYBMUJFWSA-N 333.392 0.013 10 10 ECCE CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)N[C@H](C)c1ccccc1O 1674295660 AIAJSMYDKYFYEZ-SUZMYJTESA-N 328.390 0.564 10 10 ECCE COc1cc(/C=C2/C(=O)N(c3nnn[nH]3)N=C2C)cc([N+](=O)[O-])c1O 101746907 XDMCXZHUZWAHIG-FPYGCLRLSA-N 345.275 0.628 10 10 ECCE CNC(=O)[C@H]1CN(c2ccc(/C=C/C(=O)OC)cc2[N+](=O)[O-])CCO1 273058444 CRSQFFPYPSARRU-YVARQFDVSA-N 349.343 0.732 10 10 ECCE C[C@H](NC(=O)C(=O)N[C@@H]1CCC(=O)N(C)C1)c1ccc(N(C)C)cc1 806189936 QFIYICGMVUNJAU-GXTWGEPZSA-N 346.431 0.667 10 10 ECCE COCCCn1nc(C(=O)NCc2ccc(OC)cc2O)ccc1=O 846950270 MJCHFEZYBIXMDB-UHFFFAOYSA-N 347.371 0.924 10 10 ECCE COC(=O)/C=C\c1ccc(N2CC[C@H](O)[C@@H](CO)C2)c([N+](=O)[O-])c1 840384162 CRLUOTHGKAEPPW-FWQWQBSGSA-N 336.344 0.961 10 10 ECCE CN(C)c1ccc([C@H](N)CNC(=O)CN2C(=O)NC(=O)C2(C)C)cc1 843298140 MQJURXVCNASOKG-CYBMUJFWSA-N 347.419 0.199 10 10 ECCE COc1ccc(CNC(=O)c2ccc(S(N)(=O)=O)cn2)c(O)c1 798342908 VECNKPIAXXGLIH-UHFFFAOYSA-N 337.357 0.373 10 10 ECCE CN(CCN=[N+]=[N-])C(=O)[C@@H]1[C@H](O)[C@H](O)CCN1C(=O)OC(C)(C)C 1908674077 FFIXNPAMURTWEH-OUAUKWLOSA-N 343.384 0.486 10 10 ECCE CC1=NS(=O)(=O)N(C)C=C1C(=O)NCc1ccc(O)cc1O 1626847504 BQWNHUXAPOAYSC-UHFFFAOYSA-N 325.346 0.249 10 10 ECCE CS(=O)(=O)N1CC[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 1639701314 RGYIQKTVBOQQKA-LLVKDONJSA-N 339.377 0.613 10 10 ECCE COC(=O)/C=C\c1ccc(N2CCN(CC(N)=O)CC2)c([N+](=O)[O-])c1 1772896373 LPPSWZJZDUQLFG-HYXAFXHYSA-N 348.359 0.388 10 10 ECCE Cn1c(Br)nnc1CCNC(=O)c1ccc(O)c(O)c1 2185241419 UHBJHLGCFFGAQJ-UHFFFAOYSA-N 341.165 0.961 10 10 ECCE Cn1nc(Br)c(C(=O)NCCOc2ccc(N)cc2)n1 2235281589 TVHMLZSUVICYKL-UHFFFAOYSA-N 340.181 0.969 10 10 ECCE CC(=O)C(=O)COC(=O)c1cnn2cc(Br)cnc12 808532856 NJKOUVWOHWKSTG-UHFFFAOYSA-N 326.106 0.807 10 10 ECCE COc1ccc(N2CC[C@@H](NC(=O)C(=O)NCc3ccon3)C2)cc1 828261428 GBNSACDHQSDWMQ-CYBMUJFWSA-N 344.371 0.695 10 10 ECCE CN(C)c1ccc([C@@H](N)CNC(=O)C2C[C@H]3CNC[C@@H](C2)C3=O)cc1 832274689 XIZFURHMGVTXGA-BTFYYFJDSA-N 344.459 0.683 10 10 ECCE COc1ccc(N2CC[C@H](NC(=O)N3CC(=O)N[C@@H](C)C3)C2)cc1 854296714 GJRLGYLDKXTSGF-STQMWFEESA-N 332.404 0.804 10 10 ECCE CN(C)c1ccc(CNC[C@@]23COCCN2C(=O)COC3)cc1F 865797649 KGZRVOOGQZGWTR-KRWDZBQOSA-N 337.395 0.609 10 10 ECCE C[C@H](CS(C)(=O)=O)N(C)C(=O)C(=O)N1Cc2cccc(O)c2C1 1329797988 PDDUMZZHPHLWIE-SNVBAGLBSA-N 340.401 0.126 10 10 ECCE OC[C@@H]1C[C@H](NCc2cccc(Br)c2O)[C@@H](O)[C@H]1O 2121467769 NXVQSETUOYHOLA-SKZLGDCLSA-N 332.194 0.347 10 10 ECCE CO[C@@H](CNC(=O)C(=O)N(C)Cc1ccccc1O)[C@@H]1CCOC1 1327317412 YAVRQUSSUVWTMR-HIFRSBDPSA-N 336.388 0.518 10 10 ECCE C[C@@H]1[C@@H](O)C[C@H]2CC[C@H]1N2C(=O)C(=O)N1Cc2cccc(O)c2C1 1330534661 CBJPEKVJUWATPE-SFXCNKRSSA-N 330.384 0.995 10 10 ECCE COC[C@]1(C)CN(Cc2cc(O)n3ncc(C(=O)O)c3n2)CCO1 1331839260 FPNNGIYGFOKTPW-HNNXBMFYSA-N 336.348 0.370 10 10 ECCE C[C@@H](CN(C)CC(=O)N(C)C)NC(=O)c1ccc(N=NC(N)=O)cc1 1483424516 SPGYCXFHTYFNSQ-NSHDSACASA-N 348.407 0.987 10 10 ECCE COc1ccc(CNCCCN(C)C(=O)[C@H]2CNC(=O)N2)cc1C 1716564410 WAINTUVLFSOBPQ-CQSZACIVSA-N 334.420 0.623 10 10 ECCE NC(=O)N=Nc1ccc(C(=O)NCC2(N[C@H]3CCNC3=O)CC2)cc1 1569432279 QUZNDNCCWGQQDO-LBPRGKRZSA-N 344.375 0.590 10 10 ECCE COc1ccc(CNCCN(C)C(=O)CCn2cnnn2)cc1C 1731965968 BTXGHLOWXRHSQM-UHFFFAOYSA-N 332.408 0.628 10 10 ECCE COC(=O)[C@H](CC(=O)N1CC(N=[N+]=[N-])C1)NC(=O)OC(C)(C)C 1985098985 FCTGUMSODRZHEG-VIFPVBQESA-N 327.341 0.964 10 10 ECCE O=C1NC(=O)[C@]2(CCN(Cc3cccc(Br)c3O)C2)N1 768911837 FBJUYHFVYPJPRI-CYBMUJFWSA-N 340.177 0.939 10 10 ECCE COc1ccc(Br)c(CNCCS(N)(=O)=O)c1O 2220462127 HFZVUJHQJYWTBH-UHFFFAOYSA-N 339.211 0.541 10 10 ECCE C[C@H](N)c1ccc(N2C[C@@H](O)[C@@H](O)[C@H]2CO)cc1Br 2332921265 ZURHPOWYGSOZOQ-LDICSKNTSA-N 331.210 0.372 10 10 ECCE CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N1Cc2cccc(O)c2C1 867689964 PLDFUVMLEXITDT-ZDUSSCGKSA-N 340.401 0.980 10 10 ECCE O=C(CCn1nnc2ccccc2c1=O)NCc1ccc(O)cc1O 1162278413 HSOHWJRZQIMCJL-UHFFFAOYSA-N 340.339 0.909 10 10 ECCE COC(=O)CCNC(=O)CCNC(=O)N[C@@H](C)c1ccccc1O 1234294014 FRRNVFKENOBLDZ-NSHDSACASA-N 337.376 0.822 10 10 ECCE Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NCC[C@H]1CNC(=O)C1 1332865704 IBMBEKOJGVCAPV-CYBMUJFWSA-N 346.431 0.320 10 10 ECCE O=C(NC1CC1)[C@@H]1CCCN1C(=O)C(=O)N1Cc2cccc(O)c2C1 1351822794 NUYKKJRSFRCDFA-AWEZNQCLSA-N 343.383 0.504 10 10 ECCE CNC(=O)CN[C@H]1C[C@@H](C)N(C(=O)c2ccc(N=NC(N)=O)cc2)C1 1284029973 FUAMYWOZZJWRLY-MFKMUULPSA-N 346.391 0.788 10 10 ECCE COCC(=O)N[C@H]1C[C@@H](NCc2nnnn2-c2ccc(OC)cc2)C1 1566826956 MYRPELXGGPUPGL-TXEJJXNPSA-N 346.391 0.054 10 10 ECCE COCC(=O)N[C@H](C)C[C@H](C)NC(=O)c1cc(OC)nc(OC)c1 1572631506 ZGHJMAYYEYBZBM-MNOVXSKESA-N 339.392 0.758 10 10 ECCE NCc1cc(F)c(N2CCC[C@@](O)(C(N)=O)C2)cc1Br 394442439 YNIAZMVOIYIFDI-ZDUSSCGKSA-N 346.200 0.864 10 10 ECCE COc1cccc([C@@H]2N[C@@](C)(C(=O)O)[C@@H]3C(=O)N(C)C(=O)[C@H]23)c1O 4693964 XDQGAOKGLVNKPO-ZGNZKYAMSA-N 334.328 0.119 10 10 ECCE O=C(O)[C@]1(O)CCN(Cc2ccc(Br)cc2O)C[C@@H]1O 2197460936 GKYNSJNQHNHFDM-AAEUAGOBSA-N 346.177 0.537 10 10 ECCE O=C(O)[C@]1(O)CCN(Cc2cc(Br)ccc2O)C[C@@H]1O 2197465842 QIPCMJACSISQKH-AAEUAGOBSA-N 346.177 0.537 10 10 ECCE CC(=O)N(C(=O)N(C)[C@H]1CCS(=O)(=O)C1)c1ccc(N)cc1 244345949 XTOMCILAKWGCKD-ZDUSSCGKSA-N 325.390 0.861 10 10 ECCE CN1C[C@H](C(=O)NCc2cccc(Br)c2O)NC1=O 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331.210 0.372 10 10 ECCE COc1ccc(N2CC[C@@H](NC(=O)NCc3ncn(C)n3)C2)cc1 852234691 FCQXPIPPLXZDEH-GFCCVEGCSA-N 330.392 0.902 10 10 ECCE CNS(=O)(=O)c1cccc(C(=O)NCc2ccc(O)c(O)c2)c1 778923703 QDYNUWNNHZWGFH-UHFFFAOYSA-N 336.369 0.936 10 10 ECCE COc1ccc(CNC[C@@H](O)CNC(=O)[C@@H]2CCC(=O)N2C)cc1C 1716096667 HCTZEDUAJPPORT-CABCVRRESA-N 349.431 0.191 10 10 ECCE N[C@@H]1C(=O)Nc2cc(N3C[C@@H](O)[C@H](CO)C3)c(Br)cc21 316253748 FTIRWSOFVQUELE-GHGOGRRBSA-N 342.193 0.190 10 10 ECCE Cc1cc(O)n2ncc(C(=O)N[C@H]3CCOC[C@@H]3N3CCCC3)c2n1 2064443781 KQTXZZVVQJYVFR-KBPBESRZSA-N 345.403 0.726 10 10 ECCE CC(C)(C)OC(=O)N1CC[C@@H](OCCOc2nnc(=N)[nH]n2)C1 2210643079 GTIOFUPKKNLFNE-SECBINFHSA-N 326.357 0.084 10 10 ECCE Cc1ccc(CNC(=O)c2nnn(C)n2)c(O)c1Br 2352639262 WBIVCFMGKZVUKP-UHFFFAOYSA-N 326.154 0.917 10 10 ECCE COc1ccc(N2CCC(NC(=O)C(=O)N3CC(CO)C3)CC2)cc1 804315767 RCFLVHVCQNZOAO-UHFFFAOYSA-N 347.415 0.231 10 10 ECCE CS(=O)(=O)C[C@H](O)CNCc1c(O)cccc1Br 922825343 JXEGPZZWPXHBLM-MRVPVSSYSA-N 338.223 0.650 10 10 ECCE COc1ccc(N2CCN([C@H]3CCN(OC)C3=O)CC2)c(OC)c1 931530880 SDLJJYWNUQDILK-HNNXBMFYSA-N 335.404 0.988 10 10 ECCE CCN1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)CC1=O 791994406 CFKYSCLWNJBJDN-UHFFFAOYSA-N 327.362 0.026 10 10 ECCE COc1ccc(CNC[C@@H](O)CNC(=O)c2cnn(C)c2N)cc1C 1667814531 QWCDRLKYQXCJAI-CYBMUJFWSA-N 347.419 0.200 10 10 ECCE CNCc1ccc(N2CCOC[C@H]2C(N)=O)c(Br)c1 234452578 HCMGHIPJKKMAID-LBPRGKRZSA-N 328.210 0.859 10 10 ECCE CC(C)(C)OC(=O)N1Cc2nncn2C[C@H]1C(=O)N1CC(N=[N+]=[N-])C1 2060618924 GBFVJNUXUQSXTC-JTQLQIEISA-N 348.367 0.919 10 10 ECCE CCOC(=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCOCC1 36100206 IQCMYTRBMHZEHY-MRXNPFEDSA-N 349.431 0.805 10 10 ECCE C[C@H]1CN(c2cc3c(cc2Br)[C@H](N)C(=O)N3)CC(=O)N1 387259924 LAQBYSOIQZAFKS-QTTZVWFDSA-N 339.193 0.726 10 10 ECCE CNC(=O)[C@H]1CCN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 817284542 XCLPIGHAXKELMW-HNNXBMFYSA-N 332.448 0.779 10 10 ECCE C[C@H](NC(=O)C(=O)N1CN(C)C(=O)[C@H]1C)c1ccc(N(C)C)cc1 834786889 WGAFVWAQWSDPHB-NWDGAFQWSA-N 332.404 0.576 10 10 ECCE Nc1ccc(NC(=O)C(=O)N2CCC(Cn3cnnc3)CC2)cc1 1118330473 OTKNOMLCLLEUDZ-UHFFFAOYSA-N 328.376 0.738 10 10 ECCE COc1cccc(O)c1CN1CC[C@H](N2C(=O)O[C@H]3CNC[C@H]32)C1 872255215 RLCNIGSSEIFLCF-GHJWDPDVSA-N 333.388 0.768 10 10 ECCE COc1cc(N2CCC[C@@H]2CS(N)(=O)=O)c([N+](=O)[O-])cc1OC 779905640 YMXCDEKUIIRSQI-SECBINFHSA-N 345.377 0.869 10 10 ECCE NCc1ccc(N2CCN(CC(N)=O)CC2)c(F)c1Br 700772253 CCNLMHCGTOZDEY-UHFFFAOYSA-N 345.216 0.654 10 10 ECCE Cc1ccc(O)c(CNC(=O)c2cn(C[C@H]3CNC(=O)O3)nn2)c1 1147962377 RCQAIBDRASIWHC-LLVKDONJSA-N 331.332 0.331 10 10 ECCE COc1ccc(CNC(=O)c2nc3ncc(CCO)cn3n2)c(O)c1 1155574180 GHCGWRWNLTVVGQ-UHFFFAOYSA-N 343.343 0.303 10 10 ECCE Cc1nnc2n1C[C@H](C(=O)N(C)C)N(C(=O)c1cccc(O)c1O)C2 1158987103 UEJICFYNGIVPEU-LLVKDONJSA-N 345.359 0.111 10 10 ECCE C[C@H](NC(=O)C(=O)NCC[C@@H]1CNC(=O)C1)c1ccc(N(C)C)cc1 1334162727 UIAQYFMQAIUEFI-STQMWFEESA-N 346.431 0.572 10 10 ECCE COc1ccc(CNC(=O)[C@@H](O)CNC(=O)OC(C)(C)C)c(O)c1 1296967788 HAEOGNHNDPXHFU-ZDUSSCGKSA-N 340.376 0.903 10 10 ECCE CC[C@@H](F)C(=O)NC1CN(Cc2nnnn2-c2ccc(OC)cc2)C1 1567802213 IPMOSTAEFGGTMX-CQSZACIVSA-N 348.382 0.719 10 10 ECCE NC(=O)CCNC(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 1684169986 YBSSOKNHZKBRMV-UHFFFAOYSA-N 347.419 0.063 10 10 ECCE CCOc1cccc(CN2CCS(=O)(=O)C[C@@H]2C(=O)OC)c1O 276742408 JDOKOJACLKAKPR-GFCCVEGCSA-N 343.401 0.563 10 10 ECCE CNS(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)C(C)=O)c1 808494024 HYZBXKZDCQANRF-UHFFFAOYSA-N 333.749 0.563 10 10 ECCE CN1CCC[C@@H](NC(=O)C(=O)NCc2ccc3c(c2)CCCN3C)C1 803687982 JEWNLITVLYJTHS-MRXNPFEDSA-N 344.459 0.896 10 10 ECCE CC(=O)N1CCO[C@@H](C(=O)NCc2ccc3cccnc3c2O)C1 823181482 OGBJWPSHRDLEQP-CQSZACIVSA-N 329.356 0.804 10 10 ECCE Cn1ccnc(N2CCN(C(=O)Cc3ccc(N)cc3)CC2)c1=O 830859766 IJCNKLGTEAXGFH-UHFFFAOYSA-N 327.388 0.254 10 10 ECCE O=C(COC(=O)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2)c1ccc(O)c(O)c1 859918808 IGYPICOMYOJJKG-VWPFQQQWSA-N 348.307 0.544 10 10 ECCE CN(C)C(=O)NCCN(C)c1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 758035344 NJWCHOFOFYARTB-UHFFFAOYSA-N 337.336 0.633 10 10 ECCE COc1ccc(N2CC[C@@H](NC(=O)C(=O)N[C@@H]3CCN[C@H]3C)C2)cc1 861813961 AOICHUOFJLBGCS-WOSRLPQWSA-N 346.431 0.257 10 10 ECCE CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)COCC(F)F 1329026635 JZGSJMZLZUXJCQ-JTQLQIEISA-N 347.314 0.970 10 10 ECCE O=C(C(=O)N1CC[C@@H](N2CCCC2=O)C1)N1Cc2cccc(O)c2C1 1332035954 HQMXJDSXIDOZPY-CYBMUJFWSA-N 343.383 0.458 10 10 ECCE O=C(C(=O)N1CC[C@](O)(C(F)(F)F)C1)N1Cc2cccc(O)c2C1 1335573955 VKDULPHJROZXFD-CQSZACIVSA-N 344.289 0.760 10 10 ECCE O=C(CN1C(=O)[C@H]2CCCC[C@H]2C1=O)NCc1cc(O)ccc1O 1593867851 FEZCZNIQNQSUGG-BETUJISGSA-N 332.356 0.889 10 10 ECCE CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](O)[C@@H]1C(=O)N1CC(N=[N+]=[N-])C1 2012237263 CYMKGBUULKXBNF-AXFHLTTASA-N 341.368 0.239 10 10 ECCE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2ccc(O)c(O)c2)[C@H](O)C1 1908506037 CNVPDGWMEZZNGA-GXFFZTMASA-N 338.360 0.808 10 10 ECCE C[C@H](O)c1ccc(N2C[C@H](O)[C@H](O)[C@@H](CO)C2)c(Br)c1 2289358141 OTRZGXDWXMRQAL-HHSCNIOUSA-N 346.221 0.653 10 10 ECCE COc1ccc(N2CCN(C(=O)CC(=O)NCCN(C)C)CC2)cc1 243383431 MHZSYBGQRFZPAD-UHFFFAOYSA-N 348.447 0.412 10 10 ECCE C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)c1c(F)ccc(O)c1O 844148767 DGHXMHDERFPLMB-SECBINFHSA-N 325.340 0.429 10 10 ECCE COc1ccc(CNC(=O)c2cnnn2C2CCNCC2)c(O)c1 852824922 CQFAXLVYTQMFIZ-UHFFFAOYSA-N 331.376 0.847 10 10 ECCE CN(CCN1CCCS1(=O)=O)Cc1cc2c(cc1O)OC[C@H]2O 768466653 SZMLNIFNLRCQGE-CQSZACIVSA-N 342.417 0.285 10 10 ECCE C[C@H]1C[C@H](NC(=O)C(=O)NCCc2ccc(N)cc2)c2ncnn21 1327842726 QYLAAFRQGOGTOZ-GWCFXTLKSA-N 328.376 0.341 10 10 ECCE COc1cccc(CNS(=O)(=O)c2cccc(C(N)=O)c2)c1O 1324325211 YFZJGQPMPAYLPM-UHFFFAOYSA-N 336.369 0.978 10 10 ECCE COCC(=O)NC[C@H]1CCN1Cc1nnnn1-c1ccc(OC)cc1 1483620680 BFIOUKBICMKUDP-CYBMUJFWSA-N 346.391 0.008 10 10 ECCE O=C(NCCCSc1nccs1)C(=O)N1C[C@H]2C[C@@]2(CO)C1 1322813584 CLGCNSWBUUQAGO-YGRLFVJLSA-N 341.458 0.582 10 10 ECCE CNCc1ccc(N2CC[C@@](O)(CO)[C@H](O)C2)c(Br)c1 2234095803 HIGCECZQGMNECV-ZIAGYGMSSA-N 345.237 0.463 10 10 ECCE CCOc1cccc(CN2CCN(C(=O)N3CCNCC3)CC2)c1O 530244517 YZIQSZFXCAJQKO-UHFFFAOYSA-N 348.447 0.934 10 10 ECCE COc1cc(Cl)cc(CNCC[C@@H]2CNCCS2(=O)=O)c1O 903968930 QRSMOVBBQWFNAW-GFCCVEGCSA-N 348.852 0.921 10 10 ECCE CCOC(=O)C[C@@H](O)C(=O)N(C)CCN(C)c1ccc(OC)cc1 846442498 RHHMDHUKICCRKE-OAHLLOKOSA-N 338.404 0.904 10 10 ECCE CC[C@@H](CNC(=O)C(=O)NCc1ccc(N(C)C)cc1C)C(=O)O 927942700 GRSDRUPUXMEATJ-LBPRGKRZSA-N 335.404 0.904 10 10 ECCE COC[C@@H](C)NC(=O)C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 1118686972 VOUWHIHVQWEBQY-CHWSQXEVSA-N 335.404 0.541 10 10 ECCE CO[C@H](CNC(=O)C(=O)N(C)Cc1ccccc1O)[C@@H]1CCOC1 1327317413 YAVRQUSSUVWTMR-UKRRQHHQSA-N 336.388 0.518 10 10 ECCE C[C@H](NC(=O)/C=C\c1cn(C)c(=O)n(C)c1=O)c1ccccc1O 1454815373 DVPQBEQFQDCTNT-IQQGHNRFSA-N 329.356 0.680 10 10 ECCE C[C@H](O)CNC(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 1638479287 NUBRFJIZRVIUOJ-LBPRGKRZSA-N 334.420 0.568 10 10 ECCE COC(=O)c1cc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)n(C)n1 1638347907 MTKACODDLJRCAI-SECBINFHSA-N 333.344 0.979 10 10 ECCE COc1ccc(CNC[C@@H](C)CNC(=O)[C@@H]2CNC(=O)N2)cc1C 1568191763 LDZKUJJECGWFKA-RISCZKNCSA-N 334.420 0.527 10 10 ECCE O=C(N[C@@H](CO)C(=O)NCc1cccc(O)c1O)c1cccc(F)n1 1644710680 JECVMTYWNPROTD-NSHDSACASA-N 349.318 0.039 10 10 ECCE O=S1(=O)C[C@@H](O)[C@H](NCc2cc(Br)ccc2O)C1 895686772 HPUXQNICYXABTK-MWLCHTKSSA-N 336.207 0.402 10 10 ECCE COc1ccc(N2CCOCC2)cc1NC(=O)CCS(C)(=O)=O 62274228 KPKSIGZBTOSPIM-UHFFFAOYSA-N 342.417 0.905 10 10 ECCE CCN1CCC[C@@H]1CN/C=C1\C(=O)NC(=S)N(CC(C)C)C1=O 255308241 PKUNKZWARMNKKE-AUWXEVLLSA-N 338.477 0.844 10 10 ECCE CC(=O)C(=O)COC(=O)CCOc1ccc(S(C)(=O)=O)cc1 808510499 WEQGTBAASVDCTM-UHFFFAOYSA-N 328.342 0.560 10 10 ECCE O=C(/C=C\c1ccc(N2CCOCC2)cc1)N[C@]1(CO)CCOC1 588449362 JUJQZWDPTKWBGO-CJISVDGZSA-N 332.400 0.804 10 10 ECCE CC(=O)C(=O)COC(=O)Cn1nc(C(F)(F)F)c2c1CCOC2 909729581 LSZNVEKYNOEHEY-UHFFFAOYSA-N 334.250 0.676 10 10 ECCE CS(=O)(=O)N1CC[C@@H](CNC(=O)NCc2c(O)cccc2F)C1 921621282 OOBDTKHDPMEHMP-JTQLQIEISA-N 345.396 0.612 10 10 ECCE COc1ccc(N2CC[C@H](NC(=O)c3ccc(=O)n(C)n3)C2)cc1 855230131 SWMDORXWOVHTFX-LBPRGKRZSA-N 328.372 0.798 10 10 ECCE Cn1ccnc1CN1CCN(Cc2cc3c(cc2O)OC[C@@H]3O)CC1 768449199 FGFLJWGHOFENNM-INIZCTEOSA-N 344.415 0.869 10 10 ECCE CC[C@@H](NC(C(N)=O)C(N)=O)c1cc(Br)ccc1O 695290000 UIIOZQPOGMYUOF-MRVPVSSYSA-N 330.182 0.535 10 10 ECCE Nc1ccccc1S(=O)(=O)NCC(=O)N1Cc2cccc(O)c2C1 1587928379 MWWNBFRPLCNFIN-UHFFFAOYSA-N 347.396 0.795 10 10 ECCE O=C(NCCn1cc(Br)nn1)c1cccc(O)c1O 1878206914 KYELDCPFYOOALT-UHFFFAOYSA-N 327.138 0.882 10 10 ECCE Cc1cc(O)n2ncc(C(=O)N3CCC(N4CC[C@@H](O)C4)CC3)c2n1 2064159700 REDNIRAPOUWQTN-CYBMUJFWSA-N 345.403 0.415 10 10 ECCE O=C(NCCn1cc(Br)nn1)c1cc(O)c(O)c(O)c1 2192984542 KCXQFCFPXBCOAP-UHFFFAOYSA-N 343.137 0.587 10 10 ECCE NCc1ccc(N2CCOC[C@@H]2[C@H](O)CO)cc1Br 2090137234 XUBZEORRPCIHAX-CHWSQXEVSA-N 331.210 0.466 10 10 ECCE CN1CC2(CN(c3ccc(CO)c(Br)c3)C2)OCC1=O 2289667546 CJXSGZMWEAVUTJ-UHFFFAOYSA-N 341.205 0.989 10 10 ECCE O=C1c2ccccc2C(=O)c2c1[nH][n+](=O)n2CCCN1CCOCC1 585660860 UDRKTFCERFKPCH-UHFFFAOYSA-O 343.363 0.228 10 10 ECCE CS(=O)(=O)Nc1ccc(O)c(C(=O)N[C@@H]2C[C@H](O)C23CCC3)c1 855919463 DCGZWKOGXVIACN-OLZOCXBDSA-N 340.401 0.797 10 10 ECCE O=C(NCc1ccc(O)c(O)c1)[C@@H]1CC[C@H](CN2CCOCC2)O1 934942716 ARHIJTOXYINQQN-CJNGLKHVSA-N 336.388 0.594 10 10 ECCE CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCC1(N)CCOCC1 861796641 ZYNMYJWIDWZUFN-UHFFFAOYSA-N 348.447 0.335 10 10 ECCE O=C(NCCN1CCC2(C1)OCCO2)N1Cc2cccc(O)c2C1 1349067310 WPPVGATYKSJKII-UHFFFAOYSA-N 333.388 0.866 10 10 ECCE O=C(/C=C/c1ccc(O)c(O)c1)N1CCN2CCOC[C@@]2(CO)C1 1522287941 ADWSYMYYIANXGG-WVMJFEGXSA-N 334.372 0.017 10 10 ECCE COc1ccc(CNC[C@@H](O)CNC(=O)[C@H]2CCN(C)C2=O)cc1C 1732656685 ZXTFSNODSTWLSL-HUUCEWRRSA-N 349.431 0.049 10 10 ECCE Cc1ccc(/C=C2/SC(=S)N(CC(=O)NCCO)C2=O)o1 210393853 WYAVXDNIZHURRP-UXBLZVDNSA-N 326.399 0.898 10 10 ECCE CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCc1cnn(C)n1 805995480 GSGWNHWWONBFMV-UHFFFAOYSA-N 344.419 0.993 10 10 ECCE COc1ccc(S(=O)(=O)C[C@H](C)C(=O)OCC(=O)C(C)=O)cc1 808518548 KUUJNNTZIJLVPC-JTQLQIEISA-N 342.369 0.806 10 10 ECCE C[C@@H](CC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)NC(N)=O 847304340 NJAUDBGFEYDHDV-ZDUSSCGKSA-N 334.420 0.929 10 10 ECCE CN(Cc1ccccc1O)C(=O)C(=O)NCCO[C@@H]1CC1(F)F 1327272962 OACRYLFGLYYNIR-GFCCVEGCSA-N 328.315 0.891 10 10 ECCE CNC(=O)[C@H](C)N[C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 1265461506 UCUXCKGAHWBILM-GWCFXTLKSA-N 346.391 0.788 10 10 ECCE CC(C)C(=O)N1CCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)CC1 1348574819 YDBZCXLIGFZYKA-UHFFFAOYSA-N 345.399 0.561 10 10 ECCE C[C@H](O)c1ccc(N2C[C@H](O)[C@@H](O)[C@@H]2CO)c(Br)c1 2136282600 BXHJQQPTNZDUDG-VFFVRTRHSA-N 332.194 0.405 10 10 ECCE CC[C@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)N[C@H]1CCNC1=O 1715092373 YVBKATJVXYBQSF-YPMHNXCESA-N 346.391 0.836 10 10 ECCE Cn1cc(C[C@@H](CO)NC(=O)c2ccc(N=NC(N)=O)cc2)cn1 1639488149 SFHAPYUEMMYBNH-ZDUSSCGKSA-N 330.348 0.916 10 10 ECCE COCCNC(=O)C1CCN(C(=O)c2c(F)ccc(O)c2O)CC1 1641118819 DNUBSWFFTAVSHR-UHFFFAOYSA-N 340.351 0.852 10 10 ECCE CNS(=O)(=O)c1ccc(C(=O)NCc2c(O)cccc2O)o1 1652626515 XBYDZYCDXXXJCJ-UHFFFAOYSA-N 326.330 0.529 10 10 ECCE CC(=O)N[C@H]1[C@@H](OCc2ccccc2)O[C@H](CO)[C@@H](O)[C@@H]1N=[N+]=[N-] 5726222 KSACWSAOWIMDGY-RYPNDVFKSA-N 336.348 0.465 10 10 ECCE N[C@@H]1C(=O)Nc2cc(N3CCO[C@H](CO)C3)c(Br)cc21 250754250 FPRXVSKXDVYZDH-MADCSZMMSA-N 342.193 0.599 10 10 ECCE CN(C(=O)C1=C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C1)c1ccnn1C 2022935645 QCTWYOOFOWZWHT-VXGBXAGGSA-N 336.392 0.967 10 10 ECCE NCc1cc(F)c(N2C[C@H]3C(=O)NC(=O)[C@@H]3C2)cc1Br 387038378 ULPKFOSBXUQUEV-HTQZYQBOSA-N 342.168 0.756 10 10 ECCE C[C@@H](O)c1ccc(N2CC[C@](O)(CO)[C@H](O)C2)cc1Br 2234093111 QSTBMTGNBCNTFR-FZQKWOKYSA-N 346.221 0.797 10 10 ECCE CSc1ncc(CNS(=O)(=O)c2c(CO)n[nH]c2C)s1 2284496703 HJROXVSLLNXWIJ-UHFFFAOYSA-N 334.448 0.867 10 10 ECCE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](O)[C@@H]1CNCc1ccc(N)cc1 2298018760 OZKMIXVHGCOMCY-ZNMIVQPWSA-N 337.420 0.700 10 10 ECCE CC(=O)C(=O)COC(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O 808497831 XLSHGODIQANLBQ-UHFFFAOYSA-N 339.369 0.714 10 10 ECCE COc1cc(N2CCO[C@@H](CC(N)=O)C2)c([N+](=O)[O-])cc1OC 858821596 MSTVLOWKGIDIIU-VIFPVBQESA-N 325.321 0.693 10 10 ECCE CS(=O)(=O)Nc1ccc(O)c(C(=O)N[C@@H]2C[C@@H](O)C23CCC3)c1 855919462 DCGZWKOGXVIACN-CHWSQXEVSA-N 340.401 0.797 10 10 ECCE N=c1nn[nH]n1-c1cccc(C(=O)NCc2cccc(O)c2O)c1 1153797607 CTSNBYAERFUWTR-UHFFFAOYSA-N 326.316 0.416 10 10 ECCE Cc1cc(NCCNC(=O)c2c(F)ccc(O)c2O)n2ncnc2n1 1182492086 ZKYBGOVCUUFHLC-UHFFFAOYSA-N 346.322 0.825 10 10 ECCE CON(C)C(=O)[C@H](CCSC)NC(=O)Cc1ccc(O)c(O)c1 1546039022 JQOKWFYZXSPSLU-NSHDSACASA-N 342.417 0.898 10 10 ECCE COc1ccc(CN[C@@H](CO)CNC(=O)CN(C)C(C)=O)cc1C 1717760555 VHNVQJXPVMRXTJ-OAHLLOKOSA-N 337.420 0.049 10 10 ECCE COc1ccc(CNC[C@@H](O)CNC(=O)[C@H]2CCCOC2)cc1C 1715579592 KRLSACJRERDODD-JKSUJKDBSA-N 336.432 0.997 10 10 ECCE CC1=NS(=O)(=O)N(C)C=C1C(=O)NCc1ccc(N(C)C)cc1 1628708051 FDRZKIJBOPUJIY-UHFFFAOYSA-N 336.417 0.904 10 10 ECCE Nc1nsc(N2CCN(C(=O)Cc3ccc(O)c(O)c3)CC2)n1 1566252011 WXJZTJYNOGCXOY-UHFFFAOYSA-N 335.389 0.423 10 10 ECCE COC(=O)[C@@H](CC(=O)N1CC(N=[N+]=[N-])C1)NC(=O)OC(C)(C)C 1985098984 FCTGUMSODRZHEG-SECBINFHSA-N 327.341 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10 10 ECCE CC(=O)C(=O)COC(=O)CS[C@H](C)C(=O)Nc1cc(C)on1 808494864 SKBMVGGUCDFDIL-SECBINFHSA-N 328.346 0.745 10 10 ECCE COc1ccc(N(C)CCN(C)CC2CN(S(C)(=O)=O)C2)cc1 930849507 MYQSGRGIUYIRLW-UHFFFAOYSA-N 341.477 0.955 10 10 ECCE COCCc1cc(NC(=O)C(=O)NCc2ccccc2O)n(C)n1 1116308978 OUXNTNLAKLOFAG-UHFFFAOYSA-N 332.360 0.570 10 10 ECCE CS(=O)(=O)c1ccc(C(=O)NCCc2ccc(O)c(O)c2)cn1 1150487586 GGIUNWAACYXRFX-UHFFFAOYSA-N 336.369 0.869 10 10 ECCE CC(C)(C)OC(=O)NC(CO)(CO)C(=O)N1CC[C@H](N=[N+]=[N-])C1 1903061615 LILAOPBDYLOFRM-VIFPVBQESA-N 329.357 0.146 10 10 ECCE CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)NCc1cc(O)ccc1O 1471661299 MLAZGJDCLFLSDI-LBPRGKRZSA-N 330.406 0.678 10 10 ECCE NC(=O)N=Nc1ccc(C(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)cc1 1620656617 SNXORQOFVBMDST-SNVBAGLBSA-N 330.304 0.225 10 10 ECCE CC(C)(O)[C@H](O)C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 1645591351 HRTMYGRAFPOLRS-OAHLLOKOSA-N 349.431 0.136 10 10 ECCE NS(=O)(=O)c1cnn(CCC(=O)N2Cc3cccc(O)c3C2)c1 1650674534 GNMAPOICFDLZQN-UHFFFAOYSA-N 336.373 0.169 10 10 ECCE 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CC[S@@](=O)CCNC(=O)c1cc(NS(C)(=O)=O)ccc1O 735116933 UQYMMFDUCZEOAF-HXUWFJFHSA-N 334.419 0.262 10 10 ECCE CCOC(=O)[C@@H]1NC(=O)N([C@H]2CCN(c3ccc(OC)cc3)C2)C1=O 849357529 NAZCVSOGUQMHGQ-GXTWGEPZSA-N 347.371 0.757 10 10 ECCE CNC[C@@H](C)NC(=O)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 851690701 ARLHWGUBNRBUDI-OLZOCXBDSA-N 334.420 0.114 10 10 ECCE O=C(/C=C\c1ccc(O)c(O)c1)NCCCN1CCCS1(=O)=O 779511843 SPJBESMVSDQURX-XQRVVYSFSA-N 340.401 0.653 10 10 ECCE O=C(C(=O)N1CCN2C(=O)OCC[C@H]2C1)N1Cc2cccc(O)c2C1 1332056236 GIXQTXWWJWZTKM-LBPRGKRZSA-N 345.355 0.288 10 10 ECCE CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)Cc1ccc(O)c(O)c1 1467584630 KFFRIOBRWPIRJU-NXEZZACHSA-N 338.360 0.213 10 10 ECCE Cc1nnc(N(C)Cc2ccccc2O)n1CCNS(C)(=O)=O 1612538311 VMTGRWHPQOHTHJ-UHFFFAOYSA-N 339.421 0.478 10 10 ECCE C[C@@H](CNCC(=O)N(C)C)NC(=O)c1ccc(N=NC(N)=O)cc1 1716010367 SNFLJTPVMBVKOR-JTQLQIEISA-N 334.380 0.645 10 10 ECCE NC(=O)C1CCN(c2ccc(CNC(=O)[C@H]3C[C@H]3C(N)=O)cc2)CC1 1634974246 KSQCCRHXGCFSDK-CABCVRRESA-N 344.415 0.126 10 10 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CC(C)(C)OC(=O)N1C[C@H](O)[C@H](Nc2c(N)cccc2C(N)=O)C1 2011486838 FVDYDQQHZIQVDT-NEPJUHHUSA-N 336.392 0.760 10 10 ECCE OCc1ccc(N2CCOC[C@H]2[C@H](O)CO)cc1Br 2090128844 MVEBQFYPOAGEOT-QWHCGFSZSA-N 332.194 0.500 10 10 ECCE CO[C@H]1C[C@@](COc2nnc(=N)[nH]n2)(NC(=O)OC(C)(C)C)C1 2210652635 YLRFQCURKNFAJX-KTLJEJPDSA-N 326.357 0.130 10 10 ECCE COC[C@@H]1[C@H](O)[C@H](O)CN1c1ccc(CO)c(Br)c1 2225515560 BAIVESVNDGBZGN-UPJWGTAASA-N 332.194 0.498 10 10 ECCE C[C@@H]1CN(C(=O)/C=C\c2cn(C)c(=O)n(C)c2=O)c2ccccc2O1 491790785 BEWAEJUDDXADBK-JLVNDZCYSA-N 341.367 0.911 10 10 ECCE CN1C(=O)C(=CN[C@@H]2CCN(Cc3ccccc3)C2)C(=O)N(C)C1=O 299255805 HIGQREKYSYRMGR-CQSZACIVSA-N 342.399 0.785 10 10 ECCE C[C@H]1CCNC[C@@H]1NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 842171838 XPKAUEXNRHZGNL-YOEHRIQHSA-N 342.443 0.793 10 10 ECCE CC[C@@H]1NCC[C@H]1NC(=O)C(=O)NCc1ccc(N(C)C)cc1C 861751226 QBNWYNOVQOIPRR-JKSUJKDBSA-N 332.448 0.934 10 10 ECCE C[C@@H]1CCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C[C@H]1C(=O)O 868342392 IBVSPPJQUVYQBW-ZYHUDNBSSA-N 332.356 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CC(C)(C)OC(=O)NC1(C(N)=O)CN(Cc2cc(N)ccc2O)C1 2001287876 ZFEMGLFVTQQJCU-UHFFFAOYSA-N 336.392 0.539 10 10 ECCE O=S1(=O)CCN(S(=O)(=O)Nc2ccc(O)cc2Cl)CC1 2163649011 FTFACMRLJAZHJC-UHFFFAOYSA-N 340.810 0.433 10 10 ECCE O=C(O)[C@]1(O)CCN(Cc2c(O)cccc2Br)C[C@H]1O 2197461527 MUSHYDLZNZTWSR-YPMHNXCESA-N 346.177 0.537 10 10 ECCE CC(C)(C)OC(=O)NC(CO)(CO)CNCc1cccc(O)c1O 2249529358 CXQXOMLKVDUHGE-UHFFFAOYSA-N 342.392 0.436 10 10 ECCE CN(CC1(CO)CC1)C(=O)C(=O)NCc1ccc2c(c1)CCCN2C 285800797 VQPGNIOYYGKMAD-UHFFFAOYSA-N 345.443 0.916 10 10 ECCE CC(C)(C)OC(=O)NC[C@H](O)C(=O)NCc1cc(O)ccc1O 1643885724 VRZSZZQCTLSFKM-LBPRGKRZSA-N 326.349 0.600 10 10 ECCE C[C@@H](NC(=O)NCc1nc(N)n[nH]1)c1ccc(N2CCOCC2)cc1 1683464478 FUOUSFLUTOUYJU-LLVKDONJSA-N 345.407 0.784 10 10 ECCE COC(=O)/C=C\c1ccc(N2CCO[C@@H](C(N)=O)C2)c([N+](=O)[O-])c1 1772824543 RJRKDUMNUDNLRV-HSBHDXMMSA-N 335.316 0.472 10 10 ECCE C[C@H](CNCc1cn(C)nn1)NC(=O)c1ccc(N=NC(N)=O)cc1 1699391701 RNNQBBCKYGITMX-SNVBAGLBSA-N 344.379 0.886 10 10 ECCE 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10 ECCE Nc1ccc(NC(=O)C(=O)N[C@H]2CCCN3CCSC[C@@H]23)cc1 927857939 OBEJBMFNBZYPJL-KBPBESRZSA-N 334.445 0.903 10 10 ECCE COc1ccc(N2CCN(C(=O)[C@H]3CN(C(C)=O)CCO3)CC2)cc1 929249922 LZVPNLRWUAQKTB-QGZVFWFLSA-N 347.415 0.591 10 10 ECCE COc1ccc(N2CC[C@H](NC(=O)NCCn3cncn3)C2)cc1 852126941 JIOWHBJOINFPQY-ZDUSSCGKSA-N 330.392 0.865 10 10 ECCE CCN(CC)c1ccc(CNC(=O)C(=O)N2CC=C[C@@H]2CO)cc1 1119465098 OTPAATLKOCGIKU-MRXNPFEDSA-N 331.416 0.908 10 10 ECCE CC[C@@H](CNC(=O)c1cnon1)NC(=O)c1cc(OC)nc(OC)c1 1582540319 FHISGRWIIMDNGA-JTQLQIEISA-N 349.347 0.420 10 10 ECCE C[C@@H]1C(=O)NC(=O)CN1c1ccc(CN)c(Br)c1F 231840242 GCUSCSYYBJURAT-ZCFIWIBFSA-N 330.157 0.898 10 10 ECCE COc1ccc(CN[C@H](C)CNC(=O)[C@@H]2CN(C)CCO2)cc1C 1662189730 KBXKLXJQFYKOOO-PBHICJAKSA-N 335.448 0.929 10 10 ECCE CN1C[C@@H](C(=O)N2CC(N=[N+]=[N-])C2)N(C(=O)OC(C)(C)C)CC1=O 2010388946 JCMOOLXYSYIGHJ-JTQLQIEISA-N 338.368 0.585 10 10 ECCE COc1ccc(Br)c(CN[C@@H]2C[C@H](O)[C@@H](O)[C@H]2O)c1O 2236053938 BXXGRKDJNVTTAB-FIDNZITISA-N 348.193 0.108 10 10 ECCE COc1ccc(N2CCN(C(=O)CC[C@H]3C(=O)NN=C3O)CC2)cc1 74747870 DGZFVZLCVPILON-UHFFFAOYSA-N 346.387 0.742 10 10 ECCE CCS[C@H]1O[C@@H](CN=[N+]=[N-])[C@@H](OC(C)=O)[C@@H](O)[C@H]1OC(C)=O 616586065 GWSYZYKVILHVAN-VSSNEEPJSA-N 333.366 0.999 10 10 ECCE C[C@@H](NC(=O)C(=O)N[C@H]1CCC(=O)N(C)C1)c1ccc(N(C)C)cc1 806189938 QFIYICGMVUNJAU-OCCSQVGLSA-N 346.431 0.667 10 10 ECCE COC(=O)CC1(NC(=O)c2cc(NS(C)(=O)=O)ccc2O)CC1 846393874 OSKLMELKIKCEMJ-UHFFFAOYSA-N 342.373 0.589 10 10 ECCE C[C@H]1CC[C@H](NC(=O)C(=O)NCc2ccc(N(C)C)c(F)c2)CN1 861749512 AXMHNDADGIBTOG-AAEUAGOBSA-N 336.411 0.765 10 10 ECCE O=S1(=O)CC2(CN1)CN(c1ccc(CO)cc1Br)C2 2119564240 HTFMRKYVXVBIBK-UHFFFAOYSA-N 347.234 0.681 10 10 ECCE C[C@@H]1C[C@H]1CNC(=O)C(=O)NCc1ccc(N2CCOCC2)cc1 1257100201 CBTCLOSIHLZSHN-HIFRSBDPSA-N 331.416 0.912 10 10 ECCE Cn1cnc(/C=C/C(=O)N2CCc3ccc(S(N)(=O)=O)cc32)c1 1293332655 JQFUPAYDEZUQAN-HWKANZROSA-N 332.385 0.670 10 10 ECCE CS(=O)(=O)Nc1ccc(O)c(C(=O)NCCO[C@H]2CCOC2)c1 1472016538 MQDRNHGWWLVOJC-NSHDSACASA-N 344.389 0.299 10 10 ECCE COCCNC(=O)Cn1cc(NC(=O)Cc2ccc(O)c(O)c2)cn1 1620787421 XFGLEFUGWIYIIC-UHFFFAOYSA-N 348.359 0.238 10 10 ECCE CCOC(=O)[C@@H](NC(=O)c1cccc(O)c1O)[C@H](O)c1ccncc1 1634771888 SNXPFFVKCDGTBN-UONOGXRCSA-N 346.339 0.888 10 10 ECCE Cn1nnc(Br)c1C(=O)NCc1cc(O)ccc1O 1644753998 MWYDUSIMJXNOOS-UHFFFAOYSA-N 327.138 0.919 10 10 ECCE CCOC(=O)N1C[C@@H](CO)[C@@H](NC(=O)Cc2ccc(O)c(O)c2)C1 1647737420 CJIYZOPQNWLEHY-RYUDHWBXSA-N 338.360 0.206 10 10 ECCE CN(c1cc2c(cc1Br)[C@H](O)C(=O)N2)[C@H]1COC[C@H]1O 708733746 HWFADYLOGITFNO-TUAOUCFPSA-N 343.177 0.631 10 10 ECCE C[C@@H](N)c1ccc(N2CC[C@@](O)(C(N)=O)C2)c(Br)c1 388857021 BZSROYPQHGFRAO-OQPBUACISA-N 328.210 0.895 10 10 ECCE NCc1ccc(N2CC(=O)N3CCOC[C@@H]3C2)c(Br)c1 2185855410 LVOFQGMOEJXWTP-NSHDSACASA-N 340.221 0.955 10 10 ECCE COc1nccnc1O[C@H]1CCCN(C(=O)c2cc(O)nc(O)c2)C1 238812125 AOEKMVFCNYVFIW-NSHDSACASA-N 346.343 0.975 10 10 ECCE Cc1cc(=O)n2nc(N)c(N=Nc3ccc(S(N)(=O)=O)cc3)c2[nH]1 334159068 XLKHQWRUASSMFH-UHFFFAOYSA-N 347.360 0.976 10 10 ECCE NC(=O)CSCC(=O)NCc1cc(Br)ccc1O 804732823 CRJBXGLSSCCHDS-UHFFFAOYSA-N 333.207 0.989 10 10 ECCE COc1ccc(N2CCC(NC(=O)CN3CC(=O)NC3=O)CC2)cc1 732283303 VYXYJPOYJOUSSA-UHFFFAOYSA-N 346.387 0.332 10 10 ECCE Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CCC(CN)CC1 842151848 DBQZPVGTQOEIHE-UHFFFAOYSA-N 332.448 0.875 10 10 ECCE COC(=O)c1ncoc1COCC(=O)NCc1cc(O)ccc1O 1303225866 PXRSEIRZUDPBIL-UHFFFAOYSA-N 336.300 0.705 10 10 ECCE CCS(=O)(=O)N1CCN(C(=O)Cc2ccc(O)c(O)c2)CC1 1179627955 BRIIHZSNQPSVND-UHFFFAOYSA-N 328.390 0.134 10 10 ECCE COc1ccc(CNC[C@H](O)CN(C)C(=O)c2ccnn2C)cc1C 1332491977 XQNSZHFZFOFRRZ-HNNXBMFYSA-N 346.431 0.960 10 10 ECCE Cc1cccc(=O)n1C[C@](C)(O)C(=O)NCc1cc(O)ccc1O 1455355142 QDHFZZWVGOOKFP-KRWDZBQOSA-N 332.356 0.635 10 10 ECCE COc1cc(C(=O)N[C@@H](C)CNC(=O)C[C@H](C)OC)cc(OC)n1 1295437865 UMHFUJDEQXSBJE-QWRGUYRKSA-N 339.392 0.758 10 10 ECCE CS(=O)(=O)N1CC[C@H](CNC(=O)Cc2ccc(O)c(O)c2)C1 1466084824 PJUFJQYCFYFTMV-LLVKDONJSA-N 328.390 0.038 10 10 ECCE CN(C)c1ccc(CNC(=O)c2cn(C[C@@H]3CNC(=O)O3)nn2)cc1 1531322470 XFXVIHQYJWWCQQ-ZDUSSCGKSA-N 344.375 0.383 10 10 ECCE NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)[C@H]3C[C@H]3C(N)=O)cc2)C1 1626338718 IRJXWQCHKYHOKO-YUELXQCFSA-N 344.415 0.126 10 10 ECCE CO[C@@]1(CNC(=O)NCc2c(O)cccc2F)CCS(=O)(=O)C1 1687666793 AINKZGOLVOWZSZ-CQSZACIVSA-N 346.380 0.534 10 10 ECCE Nc1n[nH]c(CNC(=O)NCc2ccc(N3CCOCC3)c(F)c2)n1 1684639037 XLDOXEAWBZLKSK-UHFFFAOYSA-N 349.370 0.362 10 10 ECCE CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC(N=[N+]=[N-])C1 1985103310 STZBQJMNVOLXCZ-SECBINFHSA-N 327.341 0.964 10 10 ECCE CN1C[C@@H](C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)NC1=O 819974933 VTJQGPMYZRYTEG-HNNXBMFYSA-N 332.404 0.505 10 10 ECCE COc1ccc(N2CCN(CCNC(=O)C(C)(C)CN)CC2)cc1 829504543 FGJOJBCAOGUEJV-UHFFFAOYSA-N 334.464 0.918 10 10 ECCE CN(C)c1ccc(CNC(=O)C2(n3cnnn3)CCOCC2)cc1 854271310 BUHSHDPYGVUSFQ-UHFFFAOYSA-N 330.392 0.561 10 10 ECCE CN(Cc1ccccc1O)C(=O)C(=O)N1CC(C)(C)O[C@@H]2COC[C@H]21 1329724386 CMHRNJLMOBBHCX-UKRRQHHQSA-N 348.399 0.755 10 10 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0.447 10 10 ECCE COc1ccc(N2CCNC[C@H]2C(N)=O)c(OC)c1Br 2162619720 DCPPHVDHVMPGIN-VIFPVBQESA-N 344.209 0.730 10 10 ECCE CN1CCN(C(=O)CCNC(=O)NCc2c(O)cccc2F)CC1 914064637 RRCHOORXCPTTRB-UHFFFAOYSA-N 338.383 0.495 10 10 ECCE C[C@]1(C(F)F)CN(Cc2cc(O)n3ncc(C(=O)O)c3n2)CCO1 853084759 MSRFAEDEQXDKJW-CQSZACIVSA-N 342.302 0.989 10 10 ECCE CC(C)(C)OC(=O)Cn1cc(C(=O)NCc2cc(O)ccc2O)nn1 1455354567 PBRTVOZEQZKDCF-UHFFFAOYSA-N 348.359 0.961 10 10 ECCE CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)Cc1ccc(O)c(O)c1 1467584633 KFFRIOBRWPIRJU-ZJUUUORDSA-N 338.360 0.213 10 10 ECCE COc1cc(N2CC[C@H](S(N)(=O)=O)C2)c([N+](=O)[O-])cc1OC 1639457389 YEBMKWZJQWOKMT-QMMMGPOBSA-N 331.350 0.479 10 10 ECCE CNCc1ccc(N2CCOC[C@@H]2C(N)=O)c(Br)c1 234451476 HCMGHIPJKKMAID-GFCCVEGCSA-N 328.210 0.859 10 10 ECCE Cc1cc(O)n2ncc(C(=O)NCCCN3CCCCC3=O)c2n1 2062257413 UNSGRQBUOURICZ-UHFFFAOYSA-N 331.376 0.876 10 10 ECCE C[C@H](O)c1ccc(N2C[C@@H](O)[C@@H](O)[C@@H]2CO)c(Br)c1 2332914961 BXHJQQPTNZDUDG-VGYUKGMSSA-N 332.194 0.405 10 10 ECCE NC1=NC(=O)/C(=C\c2cccc(OCC(=O)N3CCOCC3)c2)S1 210901052 YPQCQWBFYPNMAM-UKTHLTGXSA-N 347.396 0.853 10 10 ECCE COc1ccc(O)c(CNS(=O)(=O)C[C@H](OC)[C@H]2CCOC2)c1 849379497 RVOKZRUOROTNPM-NHYWBVRUSA-N 345.417 0.872 10 10 ECCE COc1ccc(N2CC[C@@H](NC(=O)[C@@H]3CCS(=O)(=O)N3)C2)cc1 855223132 FFATUHJUJJMYLX-RISCZKNCSA-N 339.417 0.082 10 10 ECCE CS(=O)(=O)N1CCC(NC(=O)c2c(F)ccc(O)c2O)CC1 1160807481 SROPPCMZRZPVOO-UHFFFAOYSA-N 332.353 0.391 10 10 ECCE Nc1ccc(CCNC(=O)C(=O)N[C@@H]2CCN(C3CCC3)C2=O)cc1 1328986470 DYFNECCAVLERFE-OAHLLOKOSA-N 344.415 0.197 10 10 ECCE Cc1cc(CN2CCOC[C@@H]2CNS(C)(=O)=O)ccc1N(C)C 1331672854 MNFUCSRIGBQDKY-HNNXBMFYSA-N 341.477 0.811 10 10 ECCE COCCCN1CC(O)(CNC(=O)c2ccc(N=NC(N)=O)cc2)C1 1733515584 QBZKLYMUVOFRJF-UHFFFAOYSA-N 349.391 0.662 10 10 ECCE CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)C(=O)C[C@H]1C[C@H](N)C1 2003173134 USPAVYZIZNPUQK-JHJVBQTASA-N 339.436 0.803 10 10 ECCE COC(=O)CC1CC(NC(=O)C(=O)NCc2ccc(N(C)C)cc2)C1 1354892182 MAZJIMNXSLPPDT-UHFFFAOYSA-N 347.415 0.827 10 10 ECCE C[C@H](CC[S@@](C)=O)NS(=O)(=O)CCOc1ccc(N)cc1 127772029 LACCVIHHNONKMC-GIPWTMENSA-N 334.463 0.724 10 10 ECCE CC(=O)C(=O)COC(=O)[C@H]1CC(C)C[C@@H]1C(=O)OCC(=O)C(C)=O 808539182 VCSYDNTXWXWWTN-RYUDHWBXSA-N 340.328 0.051 10 10 ECCE COC[C@H](C)CNC(=O)C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 827480527 FLYLQQGXANPKDT-ZIAGYGMSSA-N 349.431 0.789 10 10 ECCE CN(C)c1ccc([C@@H](N)CNC(=O)CNC(=O)c2cccnc2)cc1 832265943 CEANKRQQXYDRJA-INIZCTEOSA-N 341.415 0.694 10 10 ECCE COc1ccc(N2CCN(C[C@@H](O)C3(O)CCOCC3)CC2)cc1 929153088 OSAYJXMUROKJCO-QGZVFWFLSA-N 336.432 0.720 10 10 ECCE COc1ccc(N2CC[C@@H](NC(=O)Cn3cc([C@@H](C)O)nn3)C2)cc1 855233988 QJJGPZHUVCDBBL-CHWSQXEVSA-N 345.403 0.735 10 10 ECCE CCNCCCNC(=O)C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 851687501 CYOTWORNLWTQKP-CQSZACIVSA-N 348.447 0.506 10 10 ECCE O=C(Cc1ccc(NC(=O)Cc2ccc(O)c(O)c2)cc1)NCCO 1446031605 GTAHSHLRRJQZPA-UHFFFAOYSA-N 344.367 0.930 10 10 ECCE CCCC(=O)NC1CN(Cc2nnnn2-c2ccc(OC)cc2)C1 1494332509 ADHNYZZXLKWRHP-UHFFFAOYSA-N 330.392 0.771 10 10 ECCE O=C(CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)NCc1cccc(O)c1O 1637034466 INNVMMYEJYZQHR-RYUDHWBXSA-N 332.356 0.889 10 10 ECCE Cn1cc(N2C[C@H](C(=O)NCc3cccc(O)c3O)CCC2=O)cn1 1593744017 FQNVLQODJRYCSI-GFCCVEGCSA-N 344.371 0.891 10 10 ECCE CNCc1ccc(N2C[C@@H](O)[C@@H](O)[C@@H]2CO)c(Br)c1 2332922923 JIFDCJOEIZOOHU-XQQFMLRXSA-N 331.210 0.071 10 10 ECCE Cc1ccc(CN[C@@H]2C[C@H](O)[C@H](O)[C@@H]2O)c(O)c1Br 2352950019 MLAZNUZMJOTDSA-DTVLGXAZSA-N 332.194 0.408 10 10 ECCE COc1ccc(N2CCN(C(=O)C(=O)Nc3ccon3)CC2)cc1 9857775 CELLTDIRAIGZFI-UHFFFAOYSA-N 330.344 0.971 10 10 ECCE CC(=O)C(=O)COC(=O)CNC(=O)c1cccc(Br)c1 808494260 AZCGPDBLVVCOCH-UHFFFAOYSA-N 342.145 0.880 10 10 ECCE COC(=O)[C@@H]1OCC[C@@H]1NCc1ccc(N2CCN(C)CC2)cc1 826967246 JSFKBTXPOUALJA-DLBZAZTESA-N 333.432 0.859 10 10 ECCE COCCOCCOCCS(=O)(=O)N1Cc2cccc(O)c2C1 867690796 NDPLGSSRWWSHDV-UHFFFAOYSA-N 345.417 0.717 10 10 ECCE COc1ccc(N2CCN(CCNC(=O)C(OC)OC)CC2)cc1 874242199 FPRUDDOHFJNENI-UHFFFAOYSA-N 337.420 0.552 10 10 ECCE CN(Cc1ccccc1O)C(=O)C(=O)N1CCN(CC(F)F)CC1 1325151401 QUBMCZZWUDEOHH-UHFFFAOYSA-N 341.358 0.760 10 10 ECCE COc1ccc(CNCCN(C)C(=O)[C@H]2CN(C)C(=O)N2)cc1C 1267414354 DOROQZLMAXQDAJ-CQSZACIVSA-N 334.420 0.575 10 10 ECCE CC[C@@H]1[C@@H](CO)CCN1C(=O)c1cc(NS(C)(=O)=O)ccc1O 1556817749 ZILVMBDVYXENPT-ZWNOBZJWSA-N 342.417 0.997 10 10 ECCE COc1cccc(CNC(=O)[C@H]2C[C@H](O)CN2c2ccncn2)c1O 1566373881 KMJAJURDPXXLOX-QWHCGFSZSA-N 344.371 0.447 10 10 ECCE COC[C@@H]1[C@@H](O)[C@H](O)CN1c1ccc(CN)cc1Br 2225700195 JAYXFISCMCEYOI-JHJVBQTASA-N 331.210 0.465 10 10 ECCE Cn1nnc(Br)c1S(=O)(=O)NCc1ccccc1O 236093991 KOVKCPMKQLAECC-UHFFFAOYSA-N 347.194 0.762 10 10 ECCE CC(=O)C(=O)COC(=O)c1cnn(C)c1I 815514704 DCLQPEQMMCSFMQ-UHFFFAOYSA-N 336.085 0.340 10 10 ECCE C[C@@H](CC(=O)NCc1ccc(N2CCC(O)CC2)cc1)NC(N)=O 856209536 RMCIKOXRXPAETH-LBPRGKRZSA-N 334.420 0.711 10 10 ECCE CO[C@@H]1CN(C(=O)C(=O)N2Cc3cccc(O)c3C2)[C@@](C)(CO)C1 1330520069 MTBMTSXFGSHJEJ-YVEFUNNKSA-N 334.372 0.233 10 10 ECCE CN(C)c1ccc(CNC(=O)C(=O)N[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)cc1F 1351143947 NIFXLBQRFIMGCU-RPERQONWSA-N 347.390 0.800 10 10 ECCE CN1CCN(c2ccc(CN3CCC(CO)(CO)C3)cc2F)CC1 1350705260 DQSGESXKINZTOG-UHFFFAOYSA-N 337.439 0.754 10 10 ECCE COc1cc(C(=O)NC[C@H](O)CNCc2ccc(OC)c(C)c2)on1 1496968061 IBTGGSCYILGMGT-CYBMUJFWSA-N 349.387 0.881 10 10 ECCE COC[C@H](O)CN1CC(CNC(=O)c2ccc(N=NC(N)=O)cc2)C1 1567849637 GATZSFSNTSDTSZ-CQSZACIVSA-N 349.391 0.518 10 10 ECCE CCOCC(=O)N[C@H]1C[C@H](NC(=O)c2cc(OC)nc(OC)c2)C1 1744362386 FWYLOBVBAJJYFA-HAQNSBGRSA-N 337.376 0.512 10 10 ECCE CN(C(=O)C1=C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C1)c1cnn(C)c1 2022935880 RCYRTNUPRIYZSQ-STQMWFEESA-N 336.392 0.967 10 10 ECCE O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)C1=CNO 2297534343 LZXHRTKEOGQNID-UHFFFAOYSA-N 326.106 0.895 10 10 ECCE COC(=O)[C@@H]1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)C1 299078717 IKWUIOAAAFJSOK-SECBINFHSA-N 342.373 0.399 10 10 ECCE CNC(=O)[C@@H]1CCN(C(=O)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)C1 817833906 RKCDBCPMEPUKPQ-TZMCWYRMSA-N 346.431 0.524 10 10 ECCE C[C@H]1CCNC[C@H]1NC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 842265307 DRMUEZWNZYLOJM-XJKSGUPXSA-N 332.448 0.825 10 10 ECCE CN1C[C@H](C(=O)NCc2ccc(N3CCC(O)CC3)cc2)NC1=O 856208360 CUCLANLAOUQNEL-OAHLLOKOSA-N 332.404 0.288 10 10 ECCE COc1ccc(N2CC[C@H](NC(=O)NC[C@H]3CNCCCO3)C2)cc1 851665834 DCYMSBZCJKKUOC-WMLDXEAASA-N 348.447 0.952 10 10 ECCE COC(=O)[C@]1(N2CCN(Cc3cc(F)ccc3O)CC2)CCOC1 1329528962 BCDWSVZZFUHWKY-KRWDZBQOSA-N 338.379 0.981 10 10 ECCE CO[C@@H]1C[C@H]1C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 1336783586 DOKSABHZPQDKBC-HUUCEWRRSA-N 338.429 0.573 10 10 ECCE COC(=O)c1ccc(Cl)c(NC(=O)C[C@H]2C(=O)NN(C)C2=O)c1 169996182 FYWDJNHMBLMEQM-QMMMGPOBSA-N 339.735 0.575 10 10 ECCE CC1=NN(C(N)=S)C(=O)[C@@H]1/N=N/c1ccc(S(=O)(=O)O)cc1 102572181 LRDCYILNKSDOEE-MAEIDHKBSA-N 341.374 0.847 10 10 ECCE COCCN1C(=O)/C(=C/Nc2nc(C)cc(C)n2)C(=O)NC1=S 105490558 IOTOTTFGDHWSJF-JXMROGBWSA-N 335.389 0.279 10 10 ECCE CC(=O)C(=O)COC(=O)[C@@H](C)CS(=O)(=O)c1ccc(F)cc1 808526288 NIQKWNFDHDIPOO-VIFPVBQESA-N 330.333 0.937 10 10 ECCE CSC[C@H](C)C(=O)N1CCC(C(=O)OCC(=O)C(C)=O)CC1 808548834 RTSCMILQSCMYRU-JTQLQIEISA-N 329.418 0.925 10 10 ECCE COc1ccc(N2CC[C@H](NS(=O)(=O)c3cnnn3C)C2)cc1 849416244 NCZOPABPXUMWCG-NSHDSACASA-N 337.405 0.381 10 10 ECCE CO[C@H](CNC(=O)C(=O)NCCc1ccc(N)cc1)[C@@H]1CCOC1 851688149 RKQUBJKQMFZBPH-UKRRQHHQSA-N 335.404 0.095 10 10 ECCE C[C@@H]1C[C@H](C(=O)O)CN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C1 868343379 ONDUDXYJZJBGMS-PWSUYJOCSA-N 332.356 0.804 10 10 ECCE COc1ccc(O)c([C@@H](C)NC[C@@]23COCCN2C(=O)COC3)c1 866554083 OUGWFSKMYJHBAJ-PXAZEXFGSA-N 336.388 0.679 10 10 ECCE COC(=O)[C@@H](OC(=O)c1cc(NS(C)(=O)=O)ccc1O)C1CC1 772042111 DUWSWUCLYPQCAF-LBPRGKRZSA-N 343.357 0.872 10 10 ECCE OCc1ccc(N2CC3(C2)OC[C@H](O)[C@H]3O)c(Br)c1 2127264366 OEWACGFLHFNXES-NWDGAFQWSA-N 330.178 0.252 10 10 ECCE C[C@@H](NC(=O)C(=O)N1C[C@@H]2C[C@H]1C[S@@]2=O)c1ccc(N(C)C)cc1 1349717215 JXOWFTKWQSNRJF-KWRZOLFMSA-N 349.456 0.662 10 10 ECCE Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NC[C@H](O)C(N)=O 1297345913 LZPCCGHOEQWRHU-HNNXBMFYSA-N 329.356 0.483 10 10 ECCE O=C(Cc1ccc(O)c(O)c1)N1CCN(c2cc(F)ncn2)CC1 1636070195 UGKRYVNZSSVMRW-UHFFFAOYSA-N 332.335 0.918 10 10 ECCE NC(=O)Cn1cc(C(=O)NCc2c(O)ccc3ccccc23)nn1 1635964871 CFCUJNCZOOQBDK-UHFFFAOYSA-N 325.328 0.552 10 10 ECCE O=C(c1nnc(O)nc1O)N(Cc1ccccc1O)C[C@H]1CCCO1 1597089688 HXLJUKZQFSODNF-LLVKDONJSA-N 346.343 0.810 10 10 ECCE CN1C[C@@H](C(=O)NCCN=[N+]=[N-])N(C(=O)OC(C)(C)C)CC1=O 1963817965 SFAMERMVHQZEOZ-VIFPVBQESA-N 326.357 0.491 10 10 ECCE CNC(=O)[C@H]1CNCCN1Cc1c(O)cccc1Br 706830386 UCUYPHDEWPADPC-LLVKDONJSA-N 328.210 0.675 10 10 ECCE Nc1cc2c(cc1N1CC(CNC(=O)C(F)(F)F)C1)NC(=O)CO2 2044741033 OOEVKNROTMXFSI-UHFFFAOYSA-N 344.293 0.714 10 10 ECCE COC(=O)[C@H](N)CS(=O)(=O)Nc1cc(Cl)c(O)c(Cl)c1 2286027595 CJIQLSFSEFHSNL-MRVPVSSYSA-N 343.188 0.941 10 10 ECCE N[C@@H]1CCCC[C@H]1NC=C1C(=O)NC(=O)N(Cc2ccco2)C1=O 2296139044 NQMLYQHGLIYKKQ-CHWSQXEVSA-N 332.360 0.601 10 10 ECCE N[C@H]1C(=O)Nc2cc(N3C[C@H](O)C[C@H]3CO)c(Br)cc21 2360297338 ZXFDNYOINFRZJR-QRPMWFLTSA-N 342.193 0.333 10 10 ECCE CN(C)c1ccc(CNC(=O)CN2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)cc1 368972012 DYTKBABNYARSEM-YXJHDRRASA-N 344.459 0.955 10 10 ECCE COc1ccc(N2CCN(CCNC(=O)[C@@H]3COC(=O)N3)CC2)cc1 294774266 RHGVEMUTYPSJMZ-HNNXBMFYSA-N 348.403 0.042 10 10 ECCE CNS(=O)(=O)c1cc(NS(=O)(=O)N2CCC[C@H]2C)ccc1O 790404524 FANWSGLIDXDTPI-SECBINFHSA-N 349.434 0.441 10 10 ECCE C[C@H](NC(=O)NCCCCn1cc(C(N)=O)nn1)c1ccccc1O 1251827986 UUASROPSGANPTL-NSHDSACASA-N 346.391 0.923 10 10 ECCE COc1ccc(CN[C@@H](CO)CNC(=O)CN2CC[C@@H](C)C2)cc1C 1283802605 AHHNTLBORZKXJH-RHSMWYFYSA-N 349.475 0.912 10 10 ECCE Nc1n[nH]c(CNC(=O)NCc2ccc(N3CCC(O)CC3)cc2)n1 1684755463 ZKCYGRBGUMDLNN-UHFFFAOYSA-N 345.407 0.347 10 10 ECCE COC[C@@](C)(CCOc1nnc(=N)[nH]n1)NC(=O)OC(C)(C)C 2210645997 XQPUBTQJZUEZIE-CYBMUJFWSA-N 328.373 0.378 10 10 ECCE COC(=O)[C@@H]1C[C@H](N2C(=O)CNC2=O)CN1Cc1ccccc1O 857058271 QRMFBGQTVXLPEC-RYUDHWBXSA-N 333.344 0.060 10 10 ECCE C[C@H](C(N)=O)N(C)c1cc2c(cc1Br)[C@H](O)C(=O)N2 711088596 ZHTDFVWMRHIHSJ-FWOIEVBISA-N 328.166 0.745 10 10 ECCE CC[C@H](CNS(C)(=O)=O)NC(=O)NCc1cc(C)ccc1O 1251207979 FDCWMCFGSYWNCV-GFCCVEGCSA-N 329.422 0.828 10 10 ECCE O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)NCc1ccc(O)cc1O 1299570806 MMZXUIUHOROLAX-VUKUWZNJSA-N 342.351 0.521 10 10 ECCE COC(=O)[C@@H]1CCN(C(=O)c2cccc(O)c2O)[C@@H](C(=O)OC)C1 1566738140 YJWLPYDIHYDEFE-MWLCHTKSSA-N 337.328 0.665 10 10 ECCE CCS(=O)(=O)N1CCC(NC(=O)Cc2ccc(O)c(O)c2)CC1 1632037576 QARJJDUCNRLZJA-UHFFFAOYSA-N 342.417 0.571 10 10 ECCE CN(C)S(=O)(=O)c1c[nH]c(C(=O)NCc2c(O)cccc2O)c1 1639289362 OQWWZLHPKMCGAU-UHFFFAOYSA-N 339.373 0.606 10 10 ECCE O=C(NCCCSc1nccs1)C(=O)N1C[C@H]2C[C@]2(CO)C1 1322813583 CLGCNSWBUUQAGO-QMTHXVAHSA-N 341.458 0.582 10 10 ECCE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@@H](C(=O)NCCN=[N+]=[N-])O[C@@H]2C1 2246732466 LHOAGFOCORXZOA-AXFHLTTASA-N 341.368 0.816 10 10 ECCE CS(=O)(=O)N1CCCC[C@@H]1C(=O)NCc1c(O)cccc1F 928710165 PAJQJJCNBTVRCE-GFCCVEGCSA-N 330.381 0.962 10 10 ECCE COc1ccc(N2CC[C@H](NC(=O)C(=O)NC3CCNCC3)C2)cc1 851688366 YELIZHLRLVCXSX-AWEZNQCLSA-N 346.431 0.258 10 10 ECCE COc1ccc(N2CC[C@@H](NC(=O)N3CCNC(=O)CC3)C2)cc1 854301468 PPZKXINIIPTZSH-CYBMUJFWSA-N 332.404 0.805 10 10 ECCE COc1ccc(N(C)CCN(C)C(=O)C2CS(=O)(=O)C2)cc1 869142691 JMSXGGOYWWNEGM-UHFFFAOYSA-N 326.418 0.634 10 10 ECCE COc1cc(NS(=O)(=O)c2cc(C(N)=O)n(C)c2)ccc1O 797819783 SIBUZYLCOFDUHU-UHFFFAOYSA-N 325.346 0.639 10 10 ECCE O=C(NCc1cc(Cl)ccc1O)c1nc2ncc(CCO)cn2n1 1300395678 BHDFKEFEMKDFRT-UHFFFAOYSA-N 347.762 0.948 10 10 ECCE C[C@@H](CN[C@H]1CCCNC1=O)NC(=O)c1ccc(N=NC(N)=O)cc1 1322094377 YCFKMNCELXJSQT-GWCFXTLKSA-N 346.391 0.836 10 10 ECCE C[C@H]1OCC[C@]12CN(C(=O)C(=O)N1Cc3cccc(O)c3C1)CCO2 1329858995 JDCWWRQIMYFEEX-XIKOKIGWSA-N 346.383 0.641 10 10 ECCE CCOC[C@H]1CN(C(=O)C(=O)N2Cc3cccc(O)c3C2)CCO1 1329882701 VIQQXVWTZJMSIV-CYBMUJFWSA-N 334.372 0.498 10 10 ECCE COc1ccc(N2CC[C@@H](NC(=O)CN3C(=O)CCC3=O)C2)cc1 1347072728 QGQIYUPVJDVMMF-GFCCVEGCSA-N 331.372 0.539 10 10 ECCE COc1ccc(CN[C@H](CO)CNC(=O)[C@]2(C)CCNC2=O)cc1C 1507232583 MIGKCKQRIRLISI-KBXCAEBGSA-N 349.431 0.097 10 10 ECCE O=C(Cn1[nH]cc2c(=O)ncnc1-2)NCc1cccc(Cl)c1O 1558757012 LCXSQUBGFDMYOS-UHFFFAOYSA-N 333.735 0.747 10 10 ECCE O=C(NCCc1ccc(O)c(O)c1)c1ccc(-n2cnnn2)cn1 1636023068 WFXCMWDRHCNVKB-UHFFFAOYSA-N 326.316 0.441 10 10 ECCE COc1ccc(-n2nnnc2CNCCN(C)C(=O)[C@H]2C[C@@H]2C)cc1 1493465618 AOBMPSATZUAUKP-WFASDCNBSA-N 344.419 0.875 10 10 ECCE COc1cccc(C(=O)NCCNC(=O)c2cc(O)c(O)c(O)c2)c1 169836856 WZCWKMVGIAUUHR-UHFFFAOYSA-N 346.339 0.972 10 10 ECCE CC(C)(C)OC(=O)NC[C@@H]1CC[C@H](COc2nnc(=N)[nH]n2)CO1 2246551100 ZIJQZLXWEGPPIN-UWVGGRQHSA-N 340.384 0.378 10 10 ECCE O=S1(=O)CC(O)(CNCc2c(O)cccc2Br)C1 2256077546 ZUPGLSBFPLXUFE-UHFFFAOYSA-N 336.207 0.404 10 10 ECCE CC(C)(CNC(=O)c1c(F)ccc(O)c1O)N1CCS(=O)CC1 294767891 BPXOTDRAIDWUEL-UHFFFAOYSA-N 344.408 0.810 10 10 ECCE CN1NN=C2C1=NCC[C@@H]2C(=O)NCc1ccc(N(C)C)c(F)c1 824669351 JQRGIEGCVJKBTH-NSHDSACASA-N 332.383 0.732 10 10 ECCE 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340.177 0.759 10 10 ECCE COc1ccc(N2CC[C@H](NC(=O)[C@@H]3CN4CCN3C[C@@H]4C)C2)cc1 1521732269 JLYFMSIZUUZWCZ-MPGHIAIKSA-N 344.459 0.778 10 10 ECCE C[C@H](NC(=O)NCc1nnc2c(=O)n(C)ccn12)c1ccccc1O 1687434335 YBQUBLZBSZIBNR-JTQLQIEISA-N 342.359 0.694 10 10 ECCE CCOc1cccc(CNCCC(=O)NN2CCN(C)CC2)c1O 1857859940 OIIIUHSMKZEXSJ-UHFFFAOYSA-N 336.436 0.549 10 10 ECCE Nc1ccc(CS(=O)(=O)N2CC(NC(=O)C(F)(F)F)C2)cc1 1977888123 MLUOMAPJWPJCKP-UHFFFAOYSA-N 337.323 0.461 10 10 ECCE NCc1ccc(N2CC3(C2)OC[C@@H](O)[C@@H]3O)c(F)c1Br 2183627952 VOBAIPTYZWDHAE-SKDRFNHKSA-N 347.184 0.358 10 10 ECCE CC(=O)C(=O)[C@]1(O)[C@@H]2COC[C@H]1C[C@H](NC(=O)OC(C)(C)C)C2 2244165993 ZRGKKHBXXICLNH-JZDHVQPBSA-N 327.377 0.825 10 10 ECCE CCN(CCO)c1ccc(NC=C2C(=O)NC(=S)N(C)C2=O)cc1 2296110834 ZHPCJTWSSRYJIR-UHFFFAOYSA-N 348.428 0.674 10 10 ECCE O=C1COc2cc([N+](=O)[O-])c(N3CCN(c4ncc[nH]4)CC3)cc2N1 811839747 DXDDALPSYZROQB-UHFFFAOYSA-N 344.331 0.975 10 10 ECCE CN1CCN(c2ccc(CN3CCN4C[C@H](O)C[C@H]4C3)cc2)CC1 848926204 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344.209 0.449 10 10 ECCE CN[C@H](C)c1ccc(N2CC(O)(C(N)=O)C2)c(Br)c1 1915249435 YFBQHXKITZLIJK-MRVPVSSYSA-N 328.210 0.766 10 10 ECCE Cn1cc(N2C[C@H](C(=O)NCc3cc(O)ccc3O)CC2=O)cn1 1455356337 YNOLAPNOWJPDNJ-LLVKDONJSA-N 330.344 0.501 10 10 ECCE COc1ccc(N(C)C(=O)/C=C\c2cn(C)c(=O)n(C)c2=O)cc1 1452864160 DGYMUKNDQFJHJC-YHYXMXQVSA-N 329.356 0.769 10 10 ECCE CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@]1(OC)CCS(=O)(=O)C1 1297562461 LQDOZZSZDTYOTF-HNNXBMFYSA-N 348.417 0.698 10 10 ECCE Cc1ccc(C(=O)N2CCO[C@@H](CS(C)(=O)=O)C2)c(O)c1O 1558605204 KQKYBGOHNIFYLF-SNVBAGLBSA-N 329.374 0.292 10 10 ECCE CS(=O)(=O)N1CCCC[C@@H]1C(=O)NCc1ccc(O)cc1O 1638352728 VONCTLZKJMHCGQ-GFCCVEGCSA-N 328.390 0.528 10 10 ECCE CC(=O)N(C[C@@H](O)CN=[N+]=N)c1ccc(N2CCOCC2)c(F)c1 1848436011 YKCBBKUGEGLSKN-ZDUSSCGKSA-N 338.363 0.926 10 10 ECCE O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/NO 106049936 LZXHRTKEOGQNID-VMPITWQZSA-N 326.106 0.895 10 10 ECCE COc1ccc(N2CCN(C[C@H](O)CN3CCCC3=O)CC2)cc1 171883045 FHBOZBJCUXUGGO-INIZCTEOSA-N 333.432 0.801 10 10 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CS(=O)(=O)NCC1CCN(C(=O)c2cccc(O)c2O)CC1 287076411 TYNZCZUMGJUPCF-UHFFFAOYSA-N 328.390 0.499 10 10 ECCE COC(=O)[C@@H]1C[C@H]1[C@H]1NC(=O)N(Cc2ccc(N(C)C)cc2)C1=O 924447097 YKNLFIQRCTWVBF-MGPQQGTHSA-N 331.372 0.982 10 10 ECCE CN1CCOC[C@@H]1CNC(=O)NCc1ccc(N2CCOCC2)cc1 1328771992 PYFQYJSOZQHPJW-KRWDZBQOSA-N 348.447 0.653 10 10 ECCE COc1ccc(CN[C@@H](CO)CNC(=O)[C@@H]2CCN(C)C2)cc1C 1507258592 AVIOAJKDGPMDMG-HZPDHXFCSA-N 335.448 0.522 10 10 ECCE CCOC(=O)[C@H](NC(=O)c1cccc(O)c1O)[C@@H](O)c1cccnc1 1471080081 AUVRYVLBTUNMJN-KGLIPLIRSA-N 346.339 0.888 10 10 ECCE COCC(=O)N[C@H](C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862277664 KJXJGGKJUVRONA-CYBMUJFWSA-N 335.404 0.495 10 10 ECCE CC(C)(C)OC(=O)NCC(=O)NCC(=O)N1CCC(N=[N+]=[N-])CC1 2010405382 YXJYCTAPKFJNME-UHFFFAOYSA-N 340.384 0.929 10 10 ECCE CCNS(=O)(=O)[C@@H]1CCN(Cc2cc([N+](=O)[O-])ccc2O)C1 179458836 NXQMVACXBQCRRS-GFCCVEGCSA-N 329.378 0.814 10 10 ECCE C[C@@H](CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)NC(N)=O 847363579 ZWQNEZFLQMMNKY-NSHDSACASA-N 338.383 0.725 10 10 ECCE COCCn1cc(S(=O)(=O)NCc2c(O)cccc2F)cn1 921452132 FENNMRFIICKZLR-UHFFFAOYSA-N 329.353 0.853 10 10 ECCE O=C(/C=C/c1ccc(O)c(O)c1)NCCCn1ccc(O)nc1=O 1158711820 ZVIZLJSKKUQJIZ-HWKANZROSA-N 331.328 0.580 10 10 ECCE CCN1CCCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)CC1=O 1261864780 NASZZKSSGHXKOC-UHFFFAOYSA-N 331.372 0.315 10 10 ECCE COc1ccc(CNC[C@@H](O)CNC(=O)Cn2nccc2C)cc1C 1482773773 TZCKJPGTSXGETP-MRXNPFEDSA-N 346.431 0.775 10 10 ECCE COC[C@@H](O)CN1CC[C@@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 1499130792 CHRIMHALVGCTCD-KGLIPLIRSA-N 349.391 0.660 10 10 ECCE COc1cc(N2CC[C@@H](S(N)(=O)=O)C2)c([N+](=O)[O-])cc1OC 1639457388 YEBMKWZJQWOKMT-MRVPVSSYSA-N 331.350 0.479 10 10 ECCE O=C1CC2(CN(C(=O)/C=C\c3ccc(O)c(O)c3)C2)n2ccnc2N1 1646325216 QLMTVVUFOGHMNB-RQOWECAXSA-N 340.339 0.887 10 10 ECCE CNC(=O)CNC[C@H](C)CNC(=O)c1ccc(N=NC(N)=O)cc1 1698778494 QSMVWLOAKGHXLP-JTQLQIEISA-N 334.380 0.551 10 10 ECCE NCc1cc(F)c(N2C[C@H](O)[C@H](O)[C@H]2CF)cc1Br 2140661763 IPTPVRLSSSRYLZ-GRYCIOLGSA-N 337.164 0.927 10 10 ECCE Cn1cc([C@H](NC(=O)OC(C)(C)C)C(=O)N2CC(N=[N+]=[N-])C2)nn1 2010402786 WBDQTRJWFWYTRY-JTQLQIEISA-N 336.356 0.902 10 10 ECCE CN(C)c1ccc(CN(C)S(=O)(=O)N2CCN(C=O)CC2)cc1 193358953 RVMNDLOZKGHIJL-UHFFFAOYSA-N 340.449 0.203 10 10 ECCE O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)N1C[C@H]2CC[C@H]1CN2 817909968 FRFXWCOLYPSTGB-WBVHZDCISA-N 340.427 0.642 10 10 ECCE Cc1cncc(CCNC(=O)C(=O)NCc2ccc(N(C)C)cc2)n1 826707249 RMMGZCQQNONYSB-UHFFFAOYSA-N 341.415 0.826 10 10 ECCE Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CN(C)C(=O)[C@H]1C 834770940 MKAABCCOXHZHEW-GFCCVEGCSA-N 332.404 0.324 10 10 ECCE Cc1cnn(C)c1NC(=O)C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 850434171 UWTUTXWKMGLNCY-SNVBAGLBSA-N 332.360 0.826 10 10 ECCE Cc1ccc(C(=O)NCCCN2CCCS2(=O)=O)c(O)c1O 780922484 SCLDDZJGOODISB-UHFFFAOYSA-N 328.390 0.562 10 10 ECCE O=C(/C=C/c1ccc(O)c(O)c1)N1CCO[C@@H](Cn2ccnn2)C1 1148171567 WSARNHDJKNTEFY-CXLRFSCWSA-N 330.344 0.630 10 10 ECCE COc1ccc(N2CCN(C(=O)Cn3nccc3N)CC2)c(OC)c1 1150480581 SXZBPPOWYFAERH-UHFFFAOYSA-N 345.403 0.831 10 10 ECCE COc1cccc(CNC(=O)NCCCn2ccc(O)nc2=O)c1O 1313393882 UHAUQMQOUYEIRG-UHFFFAOYSA-N 348.359 0.553 10 10 ECCE COc1ccc(-n2nnnc2CN(C)CCNC(=O)C(C)C)cc1 1267184137 SEXDTRHKEREHKS-UHFFFAOYSA-N 332.408 0.875 10 10 ECCE CS(=O)(=O)N[C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 1293318525 UUZHHBIMQRBFPY-NSHDSACASA-N 339.377 0.613 10 10 ECCE C[C@@H](CN[C@@H]1CCN(C)C1=O)NC(=O)c1ccc(N=NC(N)=O)cc1 1716466728 WJTSGYUURNEFGT-GXFFZTMASA-N 346.391 0.788 10 10 ECCE COc1ccc(CNC2(CNC(=O)CC(N)=O)CCOCC2)cc1C 1569727707 HPMRAPJYBPSGJI-UHFFFAOYSA-N 349.431 0.634 10 10 ECCE COc1ccc(CNC[C@H](O)CNC(=O)c2c(C)ncn2C)cc1C 1732645068 QFWXBYKXUAQKIR-HNNXBMFYSA-N 346.431 0.926 10 10 ECCE COc1cc(C(=O)N[C@@H](C)CNC(=O)c2n[nH]cc2C)cc(OC)n1 1758776567 PAKHEFPVPCQVNS-JTQLQIEISA-N 347.375 0.679 10 10 ECCE COc1ccc(CNC[C@H](O)CN(C)C(=O)c2cnon2)cc1C 1677125326 JWRMWKABQMYIKQ-ZDUSSCGKSA-N 334.376 0.609 10 10 ECCE O=C1NC(=S)N(C2CC2)C(=O)C1=CNCc1ccc2c(c1)OCO2 2297056767 VKSKXBMKYKERPF-UHFFFAOYSA-N 345.380 0.795 10 10 ECCE COc1cc(C(=O)N[C@@H](C)CNC(=O)c2cnccn2)cc(OC)n1 1354223291 KNEWPLULCYHDDM-JTQLQIEISA-N 345.359 0.437 10 10 ECCE O=C1COc2cc([N+](=O)[O-])c(N3CCN4C[C@H](O)C[C@H]4C3)cc2N1 405260267 IOTZGEZVSAIFCK-VHSXEESVSA-N 334.332 0.181 10 10 ECCE CN1C[C@@H]2[C@H](CCN2C(=O)c2cc(NS(C)(=O)=O)ccc2O)C1 816951623 SEOJXMHBDCOXMV-ZWNOBZJWSA-N 339.417 0.540 10 10 ECCE C/C=C/[C@@H](O)C(=O)NCCN1CCN(c2ccc(OC)cc2)CC1 900405671 BZDPEVHBDKXZBX-REMYHPOOSA-N 333.432 0.870 10 10 ECCE C[C@@H]1C(=O)N(C)CN1C(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 834775711 XGGWSBIDEFTBLL-CYBMUJFWSA-N 342.399 0.326 10 10 ECCE CCOC(=O)c1cnn2c(O)cc(CN(C)Cc3cc[nH]n3)nc12 733895102 PJJHCHXKYDTUCR-UHFFFAOYSA-N 330.348 0.967 10 10 ECCE COc1ccc2ccc(O)c(CN3CCN(CC(N)=O)C(=O)C3)c2c1 840159807 PCHJQOCJQRJBDU-UHFFFAOYSA-N 343.383 0.684 10 10 ECCE COc1ccc(N2CC[C@@H](NS(=O)(=O)[C@H]3CCOC3)C2)cc1 849416385 QOBSSQTUGGTFDE-DOMZBBRYSA-N 326.418 0.982 10 10 ECCE CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@@H]1CCCCNC1 842243379 YNPDOCULZKDQLM-OAHLLOKOSA-N 332.448 0.969 10 10 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COC(=O)CC[C@H](N)C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 852843865 ITUCJZVBMMGGOK-DOMZBBRYSA-N 335.404 0.671 10 10 ECCE COC(=O)[C@@H]1CCN(C(=O)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)C1 1117505180 SZKMBJBRCPAPIG-TZMCWYRMSA-N 347.415 0.951 10 10 ECCE C[C@@H](O)CN1CCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CC1 761892637 WWGXUNSEFHVYBI-SNVBAGLBSA-N 336.348 0.429 10 10 ECCE Cn1c(=O)c2ccc(NC(=O)c3cccc(O)c3O)cc2n(C)c1=O 1652292832 FSPLZPFPMMSJIS-UHFFFAOYSA-N 341.323 0.901 10 10 ECCE COc1ccc(CNC[C@H](C)CNC(=O)[C@H]2CCNC2=O)cc1C 1666599628 IKAXMZWNLQRXMG-WFASDCNBSA-N 333.432 0.982 10 10 ECCE Cc1c(OC[C@H](O)CO)c(=O)ccn1CCCOc1ccc(N)cc1 1857919780 XIPMCFLCZMQFRM-OAHLLOKOSA-N 348.399 0.940 10 10 ECCE COC[C@](C)(CNC(=O)OC(C)(C)C)COc1nnc(=N)[nH]n1 2210654717 YGMQIGSWBDKSIP-ZDUSSCGKSA-N 328.373 0.235 10 10 ECCE CC(=O)C(=O)COC(=O)[C@@H](Cc1cccc(F)c1)n1nnnc1C 808516422 FLQHFYPHNOYCHH-CYBMUJFWSA-N 334.307 0.606 10 10 ECCE CC(=O)C(=O)COC(=O)c1cn(CCNC(=O)OC(C)(C)C)nn1 850118687 LQWWMNQBIFEFNM-UHFFFAOYSA-N 340.336 0.118 10 10 ECCE O=C(NCc1ccc(N2CCC(CO)CC2)cc1)N[C@H]1CCNC1=O 852410202 JPXSVNAWBRFCSP-INIZCTEOSA-N 346.431 0.583 10 10 ECCE O=C(Cc1ccc(O)c(O)c1)N[C@H]1CCN(C2CCOCC2)C1=O 1301975104 MAGMZJZSQXICOI-ZDUSSCGKSA-N 334.372 0.536 10 10 ECCE O=C(CNC(=O)COc1ccccc1)NCc1c(O)cccc1O 1472063736 PDTMEMDSDCWHKK-UHFFFAOYSA-N 330.340 0.909 10 10 ECCE C[C@@H]1CN(C(=O)Cc2ccc(O)c(O)c2)C[C@H]1CS(N)(=O)=O 1636313153 ISHUMKDACXKIGY-KOLCDFICSA-N 328.390 0.023 10 10 ECCE CNC(=O)[C@@H]1COCCN1c1ccc(CN)c(Br)c1F 231840584 CNUGFJYUQZWOFK-JTQLQIEISA-N 346.200 0.998 10 10 ECCE NCc1ccc(N2C[C@H](O)[C@H](O)[C@@H]2CF)c(F)c1Br 2140664254 QOKNQYMMNXEDBH-HOTUBEGUSA-N 337.164 0.927 10 10 ECCE COc1ccc(N2CCN(CC(=O)N3CCN(C)CC3)CC2)cc1 154244187 BRVKMJMNONVUTQ-UHFFFAOYSA-N 332.448 0.591 10 10 ECCE Cn1nnc(Br)c1CNCc1ccc(O)c(O)c1O 2089351807 FKVXXFRXHMIDRG-UHFFFAOYSA-N 329.154 0.984 10 10 ECCE COc1ccc(N2CCN(CCNC(=O)N[C@H]3C[C@@H](O)C3)CC2)cc1 297062236 DDBHJGYQRCEEMI-FZNQNYSPSA-N 348.447 0.640 10 10 ECCE CN(Cc1ccccc1O)C(=O)C(=O)Nc1cnc(N(C)C)nc1 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334.420 0.669 10 10 ECCE COc1ccc(N2CC[C@H](NC(=O)NCc3nc(N)n[nH]3)C2)cc1 1254330140 AGVAWIUYLNRDJJ-JTQLQIEISA-N 331.380 0.474 10 10 ECCE CN(C)c1ccc([C@@H](CNC(=O)NCc2nc(N)n[nH]2)N(C)C)cc1 1683469372 VQRUFWHWFUXRDY-CYBMUJFWSA-N 346.439 0.555 10 10 ECCE CCCCN1C(=O)C(=CNCCN2CCCCC2)C(=O)NC1=S 2296926608 XEHOPOPKLUVJMG-UHFFFAOYSA-N 338.477 0.989 10 10 ECCE CN(C)c1ccc(CNC(=O)N2CCC[C@](O)(CO)C2)cc1F 838030147 VVGATKSEHQKDBG-MRXNPFEDSA-N 325.384 0.921 10 10 ECCE COc1ccc(N2CC[C@H](NC(=O)[C@]3(C)C[C@H](O)CN3C)C2)cc1 912291715 BJHBNHFYAOJOQG-YEWWUXTCSA-N 333.432 0.845 10 10 ECCE COc1ccc(N2CC[C@H](N3C(=O)N[C@@H](CN(C)C)C3=O)C2)cc1 924978661 NXRVKBUDSBEHIM-ZFWWWQNUSA-N 332.404 0.756 10 10 ECCE CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)[C@H]1CCC(=O)O1 770496316 YDARELHDSTWUGA-CQSZACIVSA-N 334.372 0.960 10 10 ECCE COc1ccc(N2CC[C@@H](NC(=O)C(=O)NC[C@H](C)OC)C2)cc1 1261724328 VWRWPFFWIIQJAA-QWHCGFSZSA-N 335.404 0.541 10 10 ECCE N[C@@H]1C(=O)Nc2cc(N3CCOC[C@@H]3CO)c(Br)cc21 222946541 OYMHVCWGLMIUSV-MADCSZMMSA-N 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COC(=O)[C@@H]1CC[C@@H]1NC(=O)c1cc(NS(C)(=O)=O)ccc1O 1646194239 OJOCNQLRJGXANC-KOLCDFICSA-N 342.373 0.445 10 10 ECCE CC(C)(C)OC(=O)N[C@@H]1CCCN(CCOc2nnc(=N)[nH]n2)C1 2213788055 SCSILRLTZAYMJS-SNVBAGLBSA-N 339.400 0.047 10 10 ECCE COc1ccc(N2CCN(Cn3nnn(C4CC4)c3=O)CC2)cc1F 808167635 GPMLMKPZGOPMJM-UHFFFAOYSA-N 348.382 0.702 10 10 ECCE CN1CC[C@H](C(=O)NCc2c(O)ccc3c2CCCC3)S1(=O)=O 843832893 XOWZYIMGGFNNKA-OAHLLOKOSA-N 338.429 0.921 10 10 ECCE C[C@H]1CN(CC(=O)NCc2ccc(N(C)C)cc2)[C@@H](C)CN1CCO 842163519 PDIYWBWYNFNZGI-HOTGVXAUSA-N 348.491 0.756 10 10 ECCE COc1ccc(O)c([C@H](C)NCC[C@@H]2CNCCS2(=O)=O)c1 925797143 PCYFJOMWZDNDKF-WCQYABFASA-N 328.434 0.828 10 10 ECCE COc1ccc(O)c([C@H](C)NS(=O)(=O)C[C@@H]2CNCCO2)c1 866752820 WZHMSXUMZZABMH-JQWIXIFHSA-N 330.406 0.370 10 10 ECCE CC(=O)NCC(=O)N1CCC[C@H]1C(=O)N1Cc2cccc(O)c2C1 871203324 XPTVCNXOTSNGLW-AWEZNQCLSA-N 331.372 0.362 10 10 ECCE CCO[C@@H]1CN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C[C@H]1CN 1329503645 DIVBTNAAPQTCKV-IUODEOHRSA-N 333.388 0.057 10 10 ECCE O=C(c1cccc(O)c1O)N1CCS(=O)(=O)[C@H]2COCC[C@H]21 1468854384 SBHGCRVFUWCJAP-PWSUYJOCSA-N 327.358 0.126 10 10 ECCE CCCNC(=O)CN1CCC(NC(=O)Cc2ccc(O)c(O)c2)CC1 1540938793 GJTHJGFOQGDMCZ-UHFFFAOYSA-N 349.431 0.747 10 10 ECCE CS(=O)(=O)NC[C@H]1CCCN(C(=O)Cc2ccc(O)c(O)c2)C1 1625534758 ZAOANJOJAZYYNX-GFCCVEGCSA-N 342.417 0.428 10 10 ECCE COc1ccc(CNC[C@H](O)CNC(=O)Cc2ncc[nH]2)cc1C 1497079331 BVISVISVBPASNQ-AWEZNQCLSA-N 332.404 0.536 10 10 ECCE CC(=O)NCCNC(=O)CN(C)Cc1ccc(N2CCOCC2)cc1 11193308 BEMGCLIMHZDTAH-UHFFFAOYSA-N 348.447 0.207 10 10 ECCE CC(C)(C)OC(=O)N[C@@H](C(=O)C(=O)C[C@H]1C[C@H](N)C1)C1COC1 1980368700 AZCORPZJOFLDNT-IRUJWGPZSA-N 326.393 0.792 10 10 ECCE CCN1CCN(C(=O)c2cnn3c(O)cc(C)nc23)C[C@@]12CCOC2 2064358713 UUNZMZUXWAAJQM-QGZVFWFLSA-N 345.403 0.680 10 10 ECCE COC[C@]1(COc2nnc(=N)[nH]n2)CCN(C(=O)OC(C)(C)C)C1 2213781706 WFFXVPWSWFWTAW-AWEZNQCLSA-N 340.384 0.332 10 10 ECCE C[C@@H]1CN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CCN1CCO 777831877 KXIFKTBJXQKMDP-SNVBAGLBSA-N 336.348 0.429 10 10 ECCE NCc1ccc(N2CC3(C2)OC[C@H](O)[C@@H]3O)c(Br)c1 2127250271 IAZGSUPMRCYPBL-RYUDHWBXSA-N 329.194 0.219 10 10 ECCE CCOC(=O)N1CCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)CC1 1348573481 GUJHKBVJBPBDLR-UHFFFAOYSA-N 347.371 0.535 10 10 ECCE COc1cc(C(=O)N[C@@H](C)CNC(=O)c2ccn(C)c2)cc(OC)n1 1295463312 XNSPPZVSYHHUME-NSHDSACASA-N 346.387 0.986 10 10 ECCE CCn1nncc1C(=O)NC[C@@H](O)CNCc1ccc(OC)c(C)c1 1482726301 CQHYSKXUMLQASH-AWEZNQCLSA-N 347.419 0.496 10 10 ECCE Cn1cc(N2C[C@@H](C(=O)NCc3ccc(O)cc3O)CCC2=O)cn1 1639447853 LHGWMHZSUOQZGG-LBPRGKRZSA-N 344.371 0.891 10 10 ECCE Cc1cc(O)n2ncc(C(=O)N(C)C(C)(C)CN3CCOCC3)c2n1 2063072187 ZPHFXNHXASPOBX-UHFFFAOYSA-N 347.419 0.926 10 10 ECCE Cc1cc(O)n2ncc(C(=O)N3CC[C@@H](C(=O)N4CCCC4)C3)c2n1 2065066671 HRRJJMIIZCTWRK-GFCCVEGCSA-N 343.387 0.828 10 10 ECCE O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)C1=CNn1cnnc1 2293346912 JHKSNZMTJIUSIQ-UHFFFAOYSA-N 332.707 0.642 10 10 ECCE Cn1cc(/C=C\C(=O)N2CCOc3ccccc32)c(=O)n(C)c1=O 490699534 CSQHCVIZEMCWOC-FPLPWBNLSA-N 327.340 0.523 10 10 ECCE CC1=NN(c2nc(C)cc(C)n2)C(=O)C1=CNCCN1CCNCC1 2313683508 WMAVUPZMPJETIC-UHFFFAOYSA-N 343.435 0.195 10 10 ECCE CCOCCO[C@H]1CCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C1 1351906566 BOIXRBDKNRRFER-AWEZNQCLSA-N 348.399 0.888 10 10 ECCE CN1CCC[C@H](NC(=O)C(=O)NCCCSc2nccs2)C1 806282287 JTJFKOOSFIKXBK-NSHDSACASA-N 342.490 0.952 10 10 ECCE c1cc(N2CCOCC2)ccc1Cn1cc(CN2CCNCC2)nn1 900602536 ZJBXKFIVIVWOBS-UHFFFAOYSA-N 342.447 0.568 10 10 ECCE COc1ccc(N2CCN(C(=O)[C@H](O)C(C)(C)O)CC2)cc1F 900997541 GSKSFPZKAFSKOO-AWEZNQCLSA-N 326.368 0.615 10 10 ECCE COc1cccc([C@H](C)NC2CN(S(=O)(=O)N(C)C)C2)c1O 858571944 MWXJNTNIHXJTFU-JTQLQIEISA-N 329.422 0.542 10 10 ECCE Cn1cc(N2C[C@@H](C(=O)NCc3c(O)cccc3F)CC2=O)cn1 928709680 DINXSAWEWRZROQ-JTQLQIEISA-N 332.335 0.934 10 10 ECCE NC(=O)[C@H]1CN(Cc2cccc(Br)c2O)C[C@@H]1C(N)=O 693453793 JRJSPAOIWKYWGF-IUCAKERBSA-N 342.193 0.173 10 10 ECCE CN(C)c1ccc2nnc(CNC(=O)Cc3ccc(O)c(O)c3)n2n1 1178856263 JSVIYNGTZLKROM-UHFFFAOYSA-N 342.359 0.460 10 10 ECCE CNC1CCN(C(=O)C(=O)NCc2ccc(N(C)C)cc2C)CC1 1348581170 RQWAMJDBGIVSCR-UHFFFAOYSA-N 332.448 0.888 10 10 ECCE O=C(NCc1ccc(N2CCCC2)cc1)C(=O)N1CC[C@@]2(O)C[C@H]2C1 1347447776 AUDUBNXVFNHRPI-HNAYVOBHSA-N 343.427 0.886 10 10 ECCE CNC(=O)[C@H](C)N[C@H]1C[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 1690370396 UUSKZJSOSVPFSD-TVYUQYBPSA-N 346.391 0.834 10 10 ECCE CC1(C)CN(C(=O)c2ccccc2S(C)(=O)=O)CCS1(=O)=O 268366881 LIRTVQFOABSFEI-UHFFFAOYSA-N 345.442 0.739 10 10 ECCE CC(=O)c1cc(F)cc(CN2CCN(CCN(C)C)C(=O)C2)c1O 844376753 SKDHGAKWDMDTEW-UHFFFAOYSA-N 337.395 0.940 10 10 ECCE CCN1C[C@H](S(=O)(=O)NCc2ccc(OC)cc2O)CC1=O 867217792 QAISAVSEGPQVNR-GFCCVEGCSA-N 328.390 0.441 10 10 ECCE COc1ccc(N2CCN(C(=O)[C@@H](O)c3cnc[nH]3)CC2)cc1F 866460196 SJYZXGIHLBEHOB-HNNXBMFYSA-N 334.351 0.940 10 10 ECCE CC(=O)NCC(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 1141926683 RPZKRLWAHCFNAP-UHFFFAOYSA-N 327.331 0.554 10 10 ECCE COc1ccc(O)c([C@H](C)NCc2cc(=O)n3nc(N)[nH]c3n2)c1 1168712878 RFCULEJFDFCBKU-QMMMGPOBSA-N 330.348 0.565 10 10 ECCE Nc1ncn(CC(=O)NCc2cccc(Br)c2O)n1 1297439804 JMXSTBNQYHFRLL-UHFFFAOYSA-N 326.154 0.645 10 10 ECCE Cn1cc(C(=O)NCc2ccc3cccnc3c2O)c(=O)n(C)c1=O 1643283519 ZAGKDDTYGFNTAJ-UHFFFAOYSA-N 340.339 0.268 10 10 ECCE CNCc1ccc(N2CCC[C@](O)(C(N)=O)C2)c(Br)c1 380029493 VTBOIOPUICZSJV-CQSZACIVSA-N 342.237 0.985 10 10 ECCE C[C@H](NC(=O)C(=O)N1CCO[C@@H]([C@@H](C)O)C1)c1ccc(N(C)C)cc1 817834027 UYMMKHWUKRILMJ-WOSRLPQWSA-N 349.431 0.538 10 10 ECCE COc1c([N+](=O)[O-])ccc(CN[C@@H](C(=O)O)c2ccnn2C)c1O 843038284 FYOKACAQSCBIRY-LLVKDONJSA-N 336.304 0.958 10 10 ECCE COc1ccc(N2CC[C@@H](NC(=O)N3C[C@H]4C[C@H]3C(=O)O4)C2)cc1 852447462 BFBFXRZCSLWEIJ-DFBGVHRSSA-N 331.372 0.983 10 10 ECCE COc1cc(O)c(CN2CCN(c3nccnn3)CC2)cc1OC 862438762 CBFLHANTCCTJDE-UHFFFAOYSA-N 331.376 0.917 10 10 ECCE O=C(O)C[C@@H]1CCCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C1 868341827 UYUAQFJDBPPKMG-NSHDSACASA-N 332.356 0.948 10 10 ECCE C[C@H](NC(=O)C(=O)NCCOCCCN)c1ccc(N(C)C)cc1 861768195 ZDFSSSIJYZXTMJ-ZDUSSCGKSA-N 336.436 0.411 10 10 ECCE C[C@@H](O)[C@@H](NC(=O)C1CC1)C(=O)NCc1ccc2cccnc2c1O 862027182 LJTQEXYCPSUGAI-QMTHXVAHSA-N 343.383 0.832 10 10 ECCE CC[C@@H](CNS(C)(=O)=O)NC(=O)NCc1cc(C)ccc1O 1251207980 FDCWMCFGSYWNCV-LBPRGKRZSA-N 329.422 0.828 10 10 ECCE CCN(CCNCc1ccc(OC)c(C)c1)C(=O)c1nnn(C)n1 1268470700 DPRIODAJRMSJAK-UHFFFAOYSA-N 332.408 0.779 10 10 ECCE O=C(/C=C\c1ccc(O)c(O)c1)N1CCN2CCOC[C@@]2(CO)C1 1522287938 ADWSYMYYIANXGG-MMTGSJLXSA-N 334.372 0.017 10 10 ECCE COc1ccc(CN[C@H](CO)CNC(=O)c2cnccn2)cc1C 1700782392 IUIMAUWSKIEAEF-AWEZNQCLSA-N 330.388 0.674 10 10 ECCE C[C@H](CNC(=O)c1cc(NS(C)(=O)=O)ccc1O)c1ncon1 1558505575 VIROZGDRSLOYIJ-MRVPVSSYSA-N 340.361 0.680 10 10 ECCE O=C(N[C@@H](CO)C(=O)NCc1c(O)cccc1O)c1ccc(F)cc1 1558535825 PPOXMVDXZIKLKL-ZDUSSCGKSA-N 348.330 0.644 10 10 ECCE COc1cc(C(=O)N[C@@H](C)CNC(=O)c2cc(C)on2)cc(OC)n1 1688121955 XGMGQMDVRUWXTK-VIFPVBQESA-N 348.359 0.944 10 10 ECCE Nc1ccc(CC(=O)N[C@@H]2CCCCN2[C@@H]2C(=O)CSC2=O)cc1 1865957009 ORSHGOKGNWKYTB-GOEBONIOSA-N 347.440 0.951 10 10 ECCE C[C@@H](O)c1ccc(N2C[C@@H](O)[C@@H](O)[C@@H]2CO)c(Br)c1 2332912671 BXHJQQPTNZDUDG-KQXJFYCDSA-N 332.194 0.405 10 10 ECCE COc1ccc(N2CCN(C(=O)CNC(=O)[C@H]3CCCO3)CC2)cc1 41428756 UAHRVRDUCPTVCX-MRXNPFEDSA-N 347.415 0.639 10 10 ECCE O=C(Cn1cnc([N+](=O)[O-])n1)NCCCSc1nccs1 733974362 OTLOAUABHZHEKL-UHFFFAOYSA-N 328.379 0.941 10 10 ECCE COc1cc(O)c(CN2CCC[C@@H]2CS(N)(=O)=O)cc1OC 775696198 INOYMXDVPLICFF-LLVKDONJSA-N 330.406 0.662 10 10 ECCE COC(=O)[C@@H]1CCN(C(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)C1 1325072384 RSPJSKGBQZDBOY-CQSZACIVSA-N 347.415 0.733 10 10 ECCE CS(=O)(=O)Cc1nc(C(=O)NCc2cccc(O)c2O)co1 1176577050 ZKEBGZJNACWQJV-UHFFFAOYSA-N 326.330 0.560 10 10 ECCE OCc1ccc(N2CC3(C2)OC[C@@H](O)[C@@H]3O)cc1Br 2127265022 UPPOCMQWQDYCDX-NEPJUHHUSA-N 330.178 0.252 10 10 ECCE CC(C)OC[C@@H](CO)N(C)C(=O)C(=O)N1Cc2cccc(O)c2C1 1351923647 WMAOELBZYLATPA-CYBMUJFWSA-N 336.388 0.479 10 10 ECCE CC(C)(C)OC(=O)NC[C@H](O)CC(=O)NCc1c(O)cccc1O 1456319131 PABUSOKBFOJKEO-SNVBAGLBSA-N 340.376 0.990 10 10 ECCE CCOCc1cc(CNC[C@@H]2COC[C@H](O)[C@@H]2O)ccc1OC 1615127787 FEICWWLCFMDHPH-HLLBOEOZSA-N 325.405 0.690 10 10 ECCE COc1ccc(CNCCN(CCO)C(=O)c2ccn(C)n2)cc1C 1724686393 WQYCPJMDMPJPEK-UHFFFAOYSA-N 346.431 0.961 10 10 ECCE NC(=O)CN(Cc1ccccc1)C(=O)[C@@H](N)Cc1ccc(O)c(O)c1 2034754348 LGOASZPZPJTKIN-AWEZNQCLSA-N 343.383 0.482 10 10 ECCE CN(C)CCn1cc(NC(=O)C(=O)N(C)Cc2ccccc2O)cn1 125958599 FPRZGICPWCQQRJ-UHFFFAOYSA-N 345.403 0.747 10 10 ECCE COc1ccc(N2CC[C@H](NC(=O)c3cn(CCN)nn3)C2)cc1 851640551 XVHTULIOHJHNNB-LBPRGKRZSA-N 330.392 0.254 10 10 ECCE Cc1cc(C(=O)N2C[C@H](O)C[C@H]2C(N)=O)c(C)n1-c1ccccn1 862683056 QPLIYYFXFQPYKJ-OCCSQVGLSA-N 328.372 0.550 10 10 ECCE CCN1CC[C@@H]1CNC(=O)C(=O)NCCCSc1nccs1 897730813 SRLLIWYQFIVYHO-LLVKDONJSA-N 342.490 0.952 10 10 ECCE CC1(C)NC(=O)N(CCCC(=O)NCc2cc(O)ccc2O)C1=O 1153879319 JXYJSSHABHOMBB-UHFFFAOYSA-N 335.360 0.825 10 10 ECCE O=C(CN1C(=O)NC2(CCCC2)C1=O)NCc1c(O)cccc1O 1156881218 UXQUXTUMPUCZGJ-UHFFFAOYSA-N 333.344 0.579 10 10 ECCE CC(=O)NC[C@H]1CCCCN1C(=O)C(=O)N1Cc2cccc(O)c2C1 1261868888 ZKISDEZFCWMYMB-CQSZACIVSA-N 345.399 0.752 10 10 ECCE Cn1cnnc1[C@@H]1CCCN1C(=O)C(=O)N1Cc2cccc(O)c2C1 1351907834 RZQWSDQWFUQEQG-ZDUSSCGKSA-N 341.371 0.727 10 10 ECCE Nc1nnn(CC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)n1 1636950560 CUPZDCAMXNMYJV-GFCCVEGCSA-N 332.364 0.169 10 10 ECCE CC1=NS(=O)(=O)N(C)C=C1C(=O)NCCc1ccc(O)c(O)c1 1636022584 MBKZINPEHOIWPP-UHFFFAOYSA-N 339.373 0.292 10 10 ECCE CC(C)OCCOC[C@@H](O)CN(C)C(=O)Cc1ccc(O)c(O)c1 1587722890 YVPABYHXIJQYJM-AWEZNQCLSA-N 341.404 0.901 10 10 ECCE COCC(=O)N(C)CC(=O)NCc1cc(Br)ccc1O 804734988 GODDDHPBLUDJQW-UHFFFAOYSA-N 345.193 0.876 10 10 ECCE CN1CCN(C[C@@H](O)CNCc2ccc(N3CCOCC3)cc2)CC1 818973718 VZIMDFLEJNWDQS-IBGZPJMESA-N 348.491 0.221 10 10 ECCE CCNC(=O)CN(C)c1cc2c(cc1Br)[C@@H](N)C(=O)N2 723168881 CKFSSNDTRIDAMB-GFCCVEGCSA-N 341.209 0.973 10 10 ECCE CCOC(=O)c1cnn2c(O)cc(COC(=O)[C@@H]3CCC[C@H]3O)nc12 745325549 BBJJEPBRVUUKPN-ZYHUDNBSSA-N 349.343 0.816 10 10 ECCE COc1ccc(N2CC[C@@H](NC(=O)N(C)[C@@H]3COC[C@H]3O)C2)cc1 889327468 MSWYFCKNKLWRAB-DAXOMENPSA-N 335.404 0.675 10 10 ECCE NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)Cc3nc[nH]n3)cc2)C1 1141996377 SHJBRNQJMAKXDA-ZDUSSCGKSA-N 342.403 0.365 10 10 ECCE O=C(/C=C\c1ccc(O)c(O)c1)NCCS(=O)(=O)N1CCCC1 1179315303 SRRDQMBVZICFKU-XQRVVYSFSA-N 340.401 0.653 10 10 ECCE COc1ccc(CN[C@@H](CO)CNC(=O)[C@H]2CC(=O)N(C)C2)cc1C 1278093522 MOUNNQLTHMNLEL-LSDHHAIUSA-N 349.431 0.049 10 10 ECCE CC[C@@H](F)C(=O)NC[C@@H](CO)NC(=O)c1cc(OC)nc(OC)c1 1511064516 QTERHSVIWXCNOL-WDEREUQCSA-N 343.355 0.054 10 10 ECCE COc1ccc(CN[C@@H](CO)CNC(=O)CC2(O)CCC2)cc1C 1700790601 XUJPPCANCLBCFT-OAHLLOKOSA-N 336.432 0.875 10 10 ECCE C[C@@H](NC(=O)[C@H]1CCCN(S(N)(=O)=O)C1)c1ccccc1O 1635799166 RRWGAGUQEHRAAP-MNOVXSKESA-N 327.406 0.485 10 10 ECCE COc1ccc(CNC[C@@H](O)CNC(=O)c2[nH]c(O)nc2C)cc1C 1732644602 IJQWAWNHYIQVPU-CYBMUJFWSA-N 348.403 0.621 10 10 ECCE COc1ccc(CN[C@@H](CO)CNC(=O)c2cc(C)ncn2)cc1C 1571427254 MWCKICPKPLOCGT-OAHLLOKOSA-N 344.415 0.983 10 10 ECCE CC(C)(C)OC(=O)N[C@H](CO)C(=O)NCCOc1ccc(N)cc1 2018038152 DSPWZDBJJOZGPC-CYBMUJFWSA-N 339.392 0.649 10 10 ECCE Cn1nnc(Br)c1S(=O)(=O)Nc1ccc(O)c(N)c1 2227843406 PVVHGBDXQQYCNW-UHFFFAOYSA-N 348.182 0.666 10 10 ECCE O=C(c1cccc(O)c1O)N1CCCN(S(=O)(=O)C2CC2)CC1 374753964 VJJMFWKZYBYWRP-UHFFFAOYSA-N 340.401 0.738 10 10 ECCE CN(C)c1ccc([C@H](N)CNS(=O)(=O)[C@@H]2CCCNC2)cc1 923633120 DCUPHRWVUNEBQT-HUUCEWRRSA-N 326.466 0.424 10 10 ECCE COc1ccc(N2CC[C@H](NC(=O)[C@@H]3CCS(=O)(=O)C3)C2)cc1 855229442 MZVWLPALFGZASL-OLZOCXBDSA-N 338.429 0.825 10 10 ECCE COc1ccc(N2CC[C@H](NC(=O)C3(S(N)(=O)=O)CC3)C2)cc1 855227236 UNFBYUZSDVSJOC-NSHDSACASA-N 339.417 0.211 10 10 ECCE COc1ccc(O)c([C@@H](C)NS(=O)(=O)C[C@H]2CN(C)CCO2)c1 866841676 KEWIJYVVWAOSNS-DGCLKSJQSA-N 344.433 0.712 10 10 ECCE CN1CCN(c2ccc(CN3CCO[C@@H](CC(N)=O)C3)cc2)CC1 862535696 WNHFGRQBRYWCNT-KRWDZBQOSA-N 332.448 0.515 10 10 ECCE CN(c1cc2c(cc1Br)[C@@H](O)C(=O)N2)[C@H]1CCNC1=O 1916802497 OEDRFXHIZDGMJR-GXSJLCMTSA-N 340.177 0.759 10 10 ECCE COCCN(C(=O)Cc1ccc(O)c(O)c1)[C@@H]1CCS(=O)(=O)C1 1464959741 FKPKQDBLCQTRIP-GFCCVEGCSA-N 343.401 0.302 10 10 ECCE C[C@H](NC(N)=O)C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 1471912229 LPJKQBGIPGPRMX-NSHDSACASA-N 347.419 0.061 10 10 ECCE COc1ccc(CNC[C@H](O)CNC(=O)[C@@H]2CCCOC2)cc1C 1715579583 KRLSACJRERDODD-CVEARBPZSA-N 336.432 0.997 10 10 ECCE CNC(=O)COc1cn(CCOc2ccc(N)cc2)c(C)cc1=O 1857916568 BLVAVWFDDFOEAV-UHFFFAOYSA-N 331.372 0.943 10 10 ECCE N[C@@H]1C(=O)Nc2cc(N3CC([C@H](O)CO)C3)c(Br)cc21 2361913499 NVZJNLXVYYHUMQ-NEPJUHHUSA-N 342.193 0.190 10 10 ECCE CCCC[C@]1(C(=O)O)N[C@H](c2ccc(O)c(O)c2)[C@H]2C(=O)NC(=O)[C@H]21 248189401 JWHCPDWLCUWCPE-JRATXPSKSA-N 348.355 0.645 10 10 ECCE CC(=O)N1CCN(CC(=O)NCc2ccc(N(C)C)cc2)[C@@H](C)C1 298568074 IMFPUQSRXBTCSX-AWEZNQCLSA-N 332.448 0.921 10 10 ECCE COc1ccc(N2CCN(CCNC(=O)N[C@@H](C)[C@H](C)N)CC2)cc1 841749741 IEAPKWIBLWJFPF-GJZGRUSLSA-N 349.479 0.852 10 10 ECCE COc1ccc(O)c(CNS(=O)(=O)C[C@@H]2CN(C)CCO2)c1 866847834 CMMOYVVFIFPGTR-ZDUSSCGKSA-N 330.406 0.151 10 10 ECCE O=C(c1cccc(O)c1O)N1CCO[C@@]2(CCS(=O)(=O)C2)C1 1118214029 IMKYQHWMBPXPFP-AWEZNQCLSA-N 327.358 0.128 10 10 ECCE CN1CCN(c2ccc(CNC(=O)[C@@H]3CCCN(C)C3=O)cc2)CC1 881852649 AVWTZXVLORWXFM-KRWDZBQOSA-N 344.459 0.923 10 10 ECCE O=C(CCN1C(=O)CSC1=S)NCCCN1CCOCC1 1865764874 FDFMMOFOKGXWOT-UHFFFAOYSA-N 331.463 0.075 10 10 ECCE COc1ccc(CN[C@H](CO)CNC(=O)CN(C)C(C)=O)cc1C 1717760554 VHNVQJXPVMRXTJ-HNNXBMFYSA-N 337.420 0.049 10 10 ECCE COc1cccc(CNC(=O)c2nnn3cc(C)nc(O)c23)c1O 1595799975 MCHNVQJSGAHUPS-UHFFFAOYSA-N 329.316 0.783 10 10 ECCE Nc1ccc(OCCS(=O)(=O)N2CCCC3(C2)OCCO3)cc1 322383679 NYHIEBJXNBQTCM-UHFFFAOYSA-N 342.417 0.816 10 10 ECCE O=C1NC(=O)N(c2ccc(F)cc2)C(=O)C1=CNN1CCOCC1 2296925593 PEZDTTHLWKDWGQ-UHFFFAOYSA-N 334.307 0.129 10 10 ECCE COc1ccc(N2CCN(S(=O)(=O)CC(N)=S)CC2)cc1 88487146 NEEJAVSMPRWGSU-UHFFFAOYSA-N 329.447 0.433 10 10 ECCE CC[S@](=O)CCNC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 805618623 JESOLAGNPHFNOF-MYODQAERSA-N 339.461 0.815 10 10 ECCE Cn1cnn(CC(=O)NCc2cc(Br)ccc2O)c1=O 804736169 LZEKUZZNRGNWKT-UHFFFAOYSA-N 341.165 0.366 10 10 ECCE C[C@H](NC(=O)C(=O)N1CCO[C@H]([C@H](C)O)C1)c1ccc(N(C)C)cc1 817834028 UYMMKHWUKRILMJ-XEZPLFJOSA-N 349.431 0.538 10 10 ECCE NC(=O)[C@H]1CCN(c2cc3c(cc2Br)[C@H](N)C(=O)N3)C1 723175117 GFBFGKSQYQGANJ-KGFZYKRKSA-N 339.193 0.713 10 10 ECCE CN1NN=C2C1=NCC[C@H]2C(=O)NCc1ccc(N(C)C)c(F)c1 824669350 JQRGIEGCVJKBTH-LLVKDONJSA-N 332.383 0.732 10 10 ECCE CCCCN(Cc1ccccc1O)C(=O)CNS(=O)(=O)NC 831910261 ZVEYMJKDMBCLHU-UHFFFAOYSA-N 329.422 0.575 10 10 ECCE CCOc1ccc(CNCC[C@@H]2CNCCS2(=O)=O)c(O)c1 903969547 ZPOGSKAVKFLIDC-CQSZACIVSA-N 328.434 0.657 10 10 ECCE COc1ccc(N2CC[C@@H](NC(=O)N[C@H]3C[C@H](C(N)=O)C3)C2)cc1 858600021 SBUSBWXEXJAKDS-JHJVBQTASA-N 332.404 0.837 10 10 ECCE COc1ccc(N2CC[C@@H](NC(=O)CCNS(C)(=O)=O)C2)cc1 855233408 YEGGJEYTRCESET-GFCCVEGCSA-N 341.433 0.329 10 10 ECCE COc1ccc(N2CC[C@@H](NC(=O)[C@]34CNC[C@H]3COC4)C2)cc1 852843903 JNSUSGBMMRTUMG-IYOUNJFTSA-N 331.416 0.626 10 10 ECCE CN(C)C(=O)N1CCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)CC1 1119009982 FBMCOQLCGACLNG-UHFFFAOYSA-N 346.387 0.060 10 10 ECCE Nc1ccc(CC(=O)N2CC[C@@H](N3C(=O)O[C@H]4CNC[C@H]43)C2)cc1 870999287 MJJSHAHEUARBRO-KFWWJZLASA-N 330.388 0.205 10 10 ECCE C[C@H](C(=O)NCc1cc(O)ccc1O)N1C(=O)NC2(CCCC2)C1=O 1153879663 TVHMUAQQYMJPGY-SNVBAGLBSA-N 347.371 0.967 10 10 ECCE O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)N[C@@H]1[C@H]2COC[C@H]21 1260404460 PJIJYEMYOPHRHF-ZSHCYNCHSA-N 327.384 0.440 10 10 ECCE CN(C)S(=O)(=O)c1c[nH]c(C(=O)NCc2ccc(O)cc2O)c1 1451772275 VBKGVXBKZOYHAU-UHFFFAOYSA-N 339.373 0.606 10 10 ECCE CC[C@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)N[C@@H]1CCNC1=O 1715092371 YVBKATJVXYBQSF-DGCLKSJQSA-N 346.391 0.836 10 10 ECCE COCC(=O)N[C@H](C)[C@@H](C)NCc1nnnn1-c1ccc(OC)cc1 1485112783 SVKZFDRGVACUBC-VXGBXAGGSA-N 348.407 0.300 10 10 ECCE CN1C[C@H](C(=O)N2CC(N=[N+]=[N-])C2)N(C(=O)OC(C)(C)C)CC1=O 2010388947 JCMOOLXYSYIGHJ-SNVBAGLBSA-N 338.368 0.585 10 10 ECCE C=CC(=O)NCCNC(=O)/C=C/c1ccc(N2CCOCC2)cc1 171832901 KSQUHZDZFNIYFS-VMPITWQZSA-N 329.400 0.955 10 10 ECCE COc1ccc(Cn2nnc(C(=O)OCC(=O)C(C)=O)c2C)cc1 845249646 KCIYHAOVFCJCEW-UHFFFAOYSA-N 331.328 0.958 10 10 ECCE CC(C)NS(=O)(=O)NCCNC(=O)NCc1c(O)cccc1F 1226205154 XGQCVPRESQHRGA-UHFFFAOYSA-N 348.400 0.163 10 10 ECCE CC(C)(NC(=O)c1cc(NS(C)(=O)=O)ccc1O)c1cnn[nH]1 1468896872 OTWWZEAFYVAVKU-UHFFFAOYSA-N 339.377 0.547 10 10 ECCE COc1ccc(CNC[C@@H](O)CNC(=O)c2cc(C)ncn2)cc1C 1667807847 AOIJITVKUXLAQG-OAHLLOKOSA-N 344.415 0.983 10 10 ECCE CCOC(=O)[C@@H]1CCCN(C(=O)c2nnn(-c3ccc(N)cc3)n2)C1 1857878742 KWEVESTWKLDGOW-LLVKDONJSA-N 344.375 0.660 10 10 ECCE CC(=O)N(C(=O)C(=O)NC(=O)c1ccccc1N)c1ccc(N)cc1 170315342 CMLGWDGJXYZFTH-UHFFFAOYSA-N 340.339 0.687 10 10 ECCE CNS(=O)(=O)CCN[C@@H](C)c1ccc(N2CCC(O)CC2)cc1 187194809 NLDCSNVULRWVOI-ZDUSSCGKSA-N 341.477 0.848 10 10 ECCE Cc1nonc1N=NN(CC(=O)N1CCOCC1)c1nonc1C 254800996 PUXJYRDNRVCQBV-UHFFFAOYSA-N 336.312 0.434 10 10 ECCE CS(=O)(=O)N1CC[C@@H](COC(=O)/C=C\c2ccc(O)c(O)c2)C1 801291987 XVHRBJKGADTWJU-KTLBGCOUSA-N 341.385 0.936 10 10 ECCE CC(=O)C(=O)COC(=O)c1ccc2c(c1)C[C@H](C)N2S(C)(=O)=O 808499383 VKDNQFNQRCZITJ-VIFPVBQESA-N 339.369 0.712 10 10 ECCE COC(=O)Cn1cc(CN2CCN(c3ccc(OC)cc3)CC2)nn1 294504772 BVOFIASPUHBGSM-UHFFFAOYSA-N 345.403 0.782 10 10 ECCE CC(=O)N1CSC[C@H]1C(=O)N(CC(=O)O)Cc1ccccc1O 911487429 UABWMRNJJBEXTR-LBPRGKRZSA-N 338.385 0.727 10 10 ECCE COC1(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)CC1 843772880 CFEWZJIMISPNKT-UHFFFAOYSA-N 338.429 0.717 10 10 ECCE CC[C@H](NC(=O)NCc1c(O)cccc1F)C(=O)N1CCOCC1 921371111 HLZPTUCOYDOLRH-ZDUSSCGKSA-N 339.367 0.968 10 10 ECCE CC[C@@H]1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)C[C@H](C)N1 856408188 IDTQJOCREJAWOY-WDEREUQCSA-N 341.433 0.976 10 10 ECCE COc1ccc(CNC[C@H](O)CNC(=O)[C@@H]2CCCN2C)cc1C 1268300387 SZDYJMBOQKFSTE-HOTGVXAUSA-N 335.448 0.665 10 10 ECCE CC(=O)N1CCN(c2ccc(CNC(=O)[C@@H](C)CC(N)=O)cc2)CC1 1447716360 WJPYBGLVSPXNOC-ZDUSSCGKSA-N 346.431 0.483 10 10 ECCE Cc1ccc2c(n1)OCCN2C(=O)C=Cc1cn(C)c(=O)n(C)c1=O 2307536371 ALMHXMIWBUXQEL-UHFFFAOYSA-N 342.355 0.226 10 10 ECCE CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)C[C@@H]1CNCCO1 866745553 YJTYTZZRBRLEKM-INIZCTEOSA-N 341.477 0.893 10 10 ECCE COc1cccc(CNC(=O)c2ccnc(S(N)(=O)=O)c2)c1O 1137473588 OLELCRICQWQJIL-UHFFFAOYSA-N 337.357 0.373 10 10 ECCE CNC(=O)NCC(=O)N[C@@H](C)[C@@H](C)NCc1ccc(OC)c(C)c1 1329049051 OMGPAOBCJKQGSK-OLZOCXBDSA-N 336.436 0.915 10 10 ECCE COc1ccc(N2CCN(C(=O)/C=C/C(=O)N(C)C)CC2)c(OC)c1 1454464026 BSRPNKDPSNTFFO-BQYQJAHWSA-N 347.415 0.997 10 10 ECCE NC(=O)CN1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)CC1=O 1626205252 AIVPGGCZDHKAKR-UHFFFAOYSA-N 349.368 0.082 10 10 ECCE O=C(CCn1nnc2ccccc2c1=O)NCc1cc(O)ccc1O 1637122678 MWEGUFDRMSYRMW-UHFFFAOYSA-N 340.339 0.909 10 10 ECCE NC(=O)N=Nc1ccc(C(=O)N2CCC[C@H]3OCCNC(=O)[C@H]32)cc1 1588102550 ZUKAFOSEDINKCX-OLZOCXBDSA-N 345.359 0.969 10 10 ECCE O=C([C@H]1CCCCN1C(=O)c1cccc(O)c1O)N1CCOCC1 1136593293 XTLSTERVAUIDHG-CYBMUJFWSA-N 334.372 0.951 10 10 ECCE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](C(=O)NCCN=[N+]=[N-])C1 1991996219 LYDUVYXIQALMBC-SECBINFHSA-N 347.397 0.447 10 10 ECCE C[C@@H](O)c1ccc(N2C[C@H](O)[C@@H](O)[C@@H](CO)C2)c(Br)c1 2289358144 OTRZGXDWXMRQAL-PGOKHVGTSA-N 346.221 0.653 10 10 ECCE CN(C)Cc1ccc(CNC=C2C(=O)N(C)C(=O)N(C)C2=O)cc1 69900826 LYKQNEZRFCTNQO-UHFFFAOYSA-N 330.388 0.772 10 10 ECCE CN1C[C@@H](C(=O)NCc2ccc(N3CCOCC3)c(F)c2)NC1=O 822688367 OFUKAALUQQEYKY-ZDUSSCGKSA-N 336.367 0.302 10 10 ECCE CN(C)C(=O)[C@H]1CC[C@H](CNC(=O)NCc2c(O)cccc2F)O1 921795809 BXQUOIGNMHPQSW-QMTHXVAHSA-N 339.367 0.966 10 10 ECCE CCNCCCNC(=O)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 851687500 CYOTWORNLWTQKP-AWEZNQCLSA-N 348.447 0.506 10 10 ECCE CC(=O)NC[C@@H]1CCCCN1C(=O)C(=O)N1Cc2cccc(O)c2C1 1261868887 ZKISDEZFCWMYMB-AWEZNQCLSA-N 345.399 0.752 10 10 ECCE CC(=O)N[C@@H](CC(=O)N(C)Cc1ccc(N2CCCC2)cc1)C(N)=O 1539469337 YDVCLUMLVZPIRY-INIZCTEOSA-N 346.431 0.625 10 10 ECCE O=C(NCc1ccc(N2CCOCC2)c(F)c1)[C@@H]1C[C@H](F)CN1 1616052687 BWUREQRUAYAISK-JSGCOSHPSA-N 325.359 0.979 10 10 ECCE COc1ccc(CN[C@@H](CO)CNC(=O)[C@H]2CCNC(=O)C2)cc1C 1485987584 PWEQZYYVRJUHTF-LSDHHAIUSA-N 349.431 0.097 10 10 ECCE Cc1cn2nnc(C(=O)NCCc3ccc(O)c(O)c3)c2c(O)n1 1630335575 RERJHIIWJCXDJP-UHFFFAOYSA-N 329.316 0.522 10 10 ECCE C[C@@H](NC(=O)NC[C@@]12COCCN1C(=O)OC2)c1ccccc1O 1684826941 OMORTVFKRYYJPL-BZNIZROVSA-N 335.360 0.974 10 10 ECCE O=C1COc2ccc(N3CCNCC3)cc2N1CCN1CCCC1 31947283 SPTHOXYFDZSILT-UHFFFAOYSA-N 330.432 0.917 10 10 ECCE CC1(CCNS(=O)(=O)CCOc2ccc(N)cc2)OCCO1 1876533137 LTCYRBVSHJFELB-UHFFFAOYSA-N 330.406 0.720 10 10 ECCE COc1ccc(Br)c(CN[C@H]2CN(C)C[C@H]2O)c1O 2227748418 OGZHRKKAKQNXJS-WDEREUQCSA-N 331.210 0.928 10 10 ECCE COc1ccc(CN2C[C@H](C(=O)OCC(=O)C(C)=O)CC2=O)cc1 808512527 LUFCOTDGRIWPPF-CYBMUJFWSA-N 333.340 0.745 10 10 ECCE CC(=O)C(=O)COC(=O)c1cc(S(=O)(=O)NC2CC2)ccc1C 808499620 GHWXARSLECTTAW-UHFFFAOYSA-N 339.369 0.751 10 10 ECCE COc1cnc(NC(=O)C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)nc1 845947988 WNGVBMGRMQXPMS-SECBINFHSA-N 346.343 0.582 10 10 ECCE COc1ccc(N2CC[C@@H](NC(=O)C(=O)Nc3cnns3)C2)cc1 850537360 PMXKAJKZOSZZQI-SNVBAGLBSA-N 347.400 0.880 10 10 ECCE CN(C)S(=O)(=O)CCCS(=O)(=O)N1Cc2cccc(O)c2C1 867691077 QQXDMFDTQHARCU-UHFFFAOYSA-N 348.446 0.319 10 10 ECCE CCS(=O)(=O)N[C@@H](C)C(=O)NCc1ccc2cccnc2c1O 862026540 RWXRRUPHGIDVCA-JTQLQIEISA-N 337.401 0.884 10 10 ECCE COC[C@@]1(C)CN(C(=O)C(=O)N2Cc3cccc(O)c3C2)CCO1 1119022989 KCWYJIZGIRCLQT-QGZVFWFLSA-N 334.372 0.498 10 10 ECCE CN1CCN(c2ccc(CN3CCN4C[C@H](O)C[C@H]4C3)cc2F)CC1 1326852930 MKCUWQBWZULWCD-DLBZAZTESA-N 348.466 0.828 10 10 ECCE CN1CCN(C(=O)CNC(=O)c2cc3cc(O)c(O)cc3s2)CC1 1520822994 KXFJDJZYDCPMHQ-UHFFFAOYSA-N 349.412 0.816 10 10 ECCE COc1ccc(CN[C@H](CNC(=O)[C@@H]2CNC(=O)N2)C(C)C)cc1C 1715505776 JOTKJZQXRDLAFF-CABCVRRESA-N 348.447 0.915 10 10 ECCE COc1ccc(CNC[C@@H](C)N(C)C(=O)CS(C)(=O)=O)cc1C 1496015597 VZJQTHFMARFEOR-CYBMUJFWSA-N 342.461 0.985 10 10 ECCE O=C(Cc1ccc(O)c(O)c1)N[C@H]1CCN(CC(F)(F)F)C1=O 1633279162 STPYXBXJXVBXHE-VIFPVBQESA-N 332.278 0.920 10 10 ECCE CO[C@]1(COc2nnc(=N)[nH]n2)CCN(C(=O)OC(C)(C)C)C1 2210643706 BUFIDGAXPLFFQC-CYBMUJFWSA-N 326.357 0.084 10 10 ECCE CC(C)(C)OC(=O)NC(CO)(CO)C(=O)NCc1ccccc1O 2303952486 JIDCKLPLYMYTLF-UHFFFAOYSA-N 340.376 0.257 10 10 ECCE Cc1ccc(CNC(=O)[C@@H]2C[C@H](O)CN2)c(O)c1Br 2352637145 IZOLSQLUXKQUJY-UWVGGRQHSA-N 329.194 0.802 10 10 ECCE O=C1Nc2cc(N3CC[C@@H](O)[C@@H](O)C3)c(Br)cc2[C@@H]1O 2356918664 OPMMLWUDZFPJHQ-WOPDTQHZSA-N 343.177 0.367 10 10 ECCE COc1ccc(N2CC[C@@H](NC(=O)C(=O)NC[C@@H](C)CN)C2)cc1 851688428 ZZABUBFYHJHMQW-QWHCGFSZSA-N 334.420 0.101 10 10 ECCE CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N1C[C@@H]2CNC[C@]2(C)C1 872185424 NMDIEGAUAONLFR-HNAYVOBHSA-N 344.459 0.779 10 10 ECCE COc1nn(C)cc1NC(=O)C(=O)NCc1ccc(N(C)C)cc1 789553722 CSVDMKWQZHYRHX-UHFFFAOYSA-N 331.376 0.750 10 10 ECCE Cn1nncc1C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 1133847255 JATVTQIQVOVEHZ-UHFFFAOYSA-N 342.403 0.447 10 10 ECCE O=C(NCCc1ccc(O)c(O)c1)c1nc(-c2cnccn2)no1 1150488948 ZGOZDOMJIKMFTD-UHFFFAOYSA-N 327.300 0.910 10 10 ECCE CC(=O)N1CCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)[C@@H](C)C1 1331972704 LWODJMHQXNECPG-NSHDSACASA-N 331.372 0.314 10 10 ECCE COc1ccc(CN[C@H](CO)CNC(=O)c2ccc(O)nc2)cc1C 1331821057 XCXJONHEKOGJDH-HNNXBMFYSA-N 345.399 0.985 10 10 ECCE COc1ccc(CNCCN(CCO)C(=O)c2cnn(C)n2)cc1C 1569950689 QYIXRVMXLSSQMK-UHFFFAOYSA-N 347.419 0.356 10 10 ECCE O=C(NCc1cc(O)ccc1O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 1643879497 SEMTVPYQUHTDSD-UHFFFAOYSA-N 327.296 0.558 10 10 ECCE Cn1cnnc1[C@H](CO)NC(=O)c1cc2cc(O)c(O)cc2s1 1641930145 FRGPQTOIALCRHJ-QMMMGPOBSA-N 334.357 0.904 10 10 ECCE O=C([C@@H]1CCCCN1C(=O)c1cccc(O)c1O)N1CCOCC1 1136593294 XTLSTERVAUIDHG-ZDUSSCGKSA-N 334.372 0.951 10 10 ECCE NC(=O)[C@@H]1CN(Cc2c(O)cccc2Br)C[C@@H]1C(N)=O 707164280 SIHZAJJACCDSLL-OCAPTIKFSA-N 342.193 0.173 10 10 ECCE COCCNCc1ccc(N2CC(O)(CO)C2)c(Br)c1 2171951940 SESCVQMSRMWYAR-UHFFFAOYSA-N 345.237 0.729 10 10 ECCE C[C@H](N)c1ccc(N2CC[C@@](O)(CO)[C@H](O)C2)c(Br)c1 2234099081 ZSDHJZQEHCUBSY-CUOATXAZSA-N 345.237 0.763 10 10 ECCE CC1=NN(c2ccccc2)C(=O)[C@@H]1C=C1C(=O)NC(=S)N(C)C1=O 2297620281 SXIBLICFIHIRMJ-LLVKDONJSA-N 342.380 0.825 10 10 ECCE CO[C@H]1C=C[C@@](CNS(=O)(=O)CCOc2ccccc2)(OC)O1 70876800 VAINRVUOLXILTL-HUUCEWRRSA-N 343.401 0.886 10 10 ECCE COC(=O)C[C@H](N)C(=O)NCc1ccc(N2CCSCC2)cc1 827320356 GNYQEDFEJGVDOI-AWEZNQCLSA-N 337.445 0.746 10 10 ECCE CC1(C)C(=O)NC(=O)N1CC(=O)NCc1ccc2cccnc2c1O 862027936 KGAQOUKNKCUOOX-UHFFFAOYSA-N 342.355 0.887 10 10 ECCE C[C@H](NC(=O)N[C@H]1CCN(S(C)(=O)=O)C1)c1ccccc1O 868743893 NIGQWUGBVFZCMS-QWRGUYRKSA-N 327.406 0.786 10 10 ECCE CC(=O)C(=O)COC(=O)c1nn(C)cc1I 869689555 ZXRSZXYBYQUEBP-UHFFFAOYSA-N 336.085 0.340 10 10 ECCE O=C(C(=O)N1C[C@@H]2CCC[C@]2(CO)C1)N1Cc2cccc(O)c2C1 1330511314 INDVEHFZNOWRHT-SCLBCKFNSA-N 330.384 0.855 10 10 ECCE CCC[C@H](C(=O)C(=O)CC(C)(C)CC(=O)OCC)S(N)(=O)=O 1297562327 HKWLSVLVKSQJKB-LLVKDONJSA-N 335.422 0.951 10 10 ECCE COc1ccc(CN[C@@H](CO)CNC(=O)c2cnns2)cc1C 1725523283 ILVMYZVUVOLCLW-GFCCVEGCSA-N 336.417 0.736 10 10 ECCE Cc1ccc(CN(CC(N)=O)CC(=O)O)c(O)c1Br 2352681715 WYJAVIAVAGGBIR-UHFFFAOYSA-N 331.166 0.835 10 10 ECCE Cc1noc(CCNC(=O)c2cc(NS(C)(=O)=O)ccc2O)n1 263649372 DGGZRRAFPWWTQD-UHFFFAOYSA-N 340.361 0.428 10 10 ECCE COc1ccc(N2CC[C@@H](NC(=O)C(=O)N[C@@H](C)CCN)C2)cc1 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BZDPEVHBDKXZBX-IDOMTICXSA-N 333.432 0.870 10 10 ECCE CCOC(=O)C[C@@H](O)C(=O)NCc1ccc(N2CCOCC2)cc1 773852309 LOEWCTHCLIARFQ-OAHLLOKOSA-N 336.388 0.454 10 10 ECCE COc1ccc(CN[C@H](CO)CNC(=O)CN2CC[C@H](C)C2)cc1C 1283802609 AHHNTLBORZKXJH-YOEHRIQHSA-N 349.475 0.912 10 10 ECCE COc1cc(C(=O)N[C@@H](C)CNC(=O)c2cnn(C)c2)cc(OC)n1 1704009271 IRYISJPYQGLEST-JTQLQIEISA-N 347.375 0.381 10 10 ECCE CCOC(=O)c1n[nH]c([C@H](C)NC(=O)Cc2ccc(O)c(O)c2)n1 1629029980 UVVDZOMMWOKSRD-QMMMGPOBSA-N 334.332 0.813 10 10 ECCE COc1ccc(CNC[C@@H](O)CNC(=O)c2cnnc(C)c2)cc1C 1732641691 NJZBAZTUGZNQIW-MRXNPFEDSA-N 344.415 0.983 10 10 ECCE CC(C)(C)OC(=O)N[C@@H](CCS(C)(=O)=O)C(=O)NCCN=[N+]=[N-] 1985095477 DYXXJJJPHJKPRD-VIFPVBQESA-N 349.413 0.741 10 10 ECCE COC1CC(COc2nnc(=N)[nH]n2)(NC(=O)OC(C)(C)C)C1 2210652636 YLRFQCURKNFAJX-UHFFFAOYSA-N 326.357 0.130 10 10 ECCE COc1ccc(N2CCN(C(=O)NCc3ncnn3C)CC2)cc1F 84891142 ZDSKTKDXAVVCEE-UHFFFAOYSA-N 348.382 0.995 10 10 ECCE CC(=O)C(=O)COC(=O)[C@@H]1CCCC[C@H]1C(=O)OCC(=O)C(C)=O 808530723 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337.376 0.464 10 10 ECCE C[C@H]1C[C@@H](CO)CN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)C1 1651082845 QNVRBLWSGBWVOS-WDEREUQCSA-N 342.417 0.854 10 10 ECCE C[C@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)N[C@@H]1CCN(C)C1=O 1774050391 WVOPEEYERFUKCA-ZWNOBZJWSA-N 346.391 0.788 10 10 ECCE CNC(=O)CN[C@H]1C[C@H](CNC(=O)c2ccc(N=NC(N)=O)cc2)C1 1691830865 HQMQFQBHELRCOX-MJHDQNEOSA-N 346.391 0.693 10 10 ECCE CCN(CC)C(=O)CN1C(=O)COc2ccc(N3CCNCC3)cc21 31947232 UIVMWMPNHYPGEX-UHFFFAOYSA-N 346.431 0.690 10 10 ECCE O=C1NC(=O)N2CCN(c3ccc(CO)c(Br)c3)C[C@@H]12 2171305597 TUCPYBUKBMTNSW-NSHDSACASA-N 340.177 0.682 10 10 ECCE CC(=O)N1CC(NC(=O)C=Cc2ccc(N3CCOCC3)cc2)C1 2297755298 LWOLCQHIAKKVGS-UHFFFAOYSA-N 329.400 0.883 10 10 ECCE COC(=O)CC1=NN(c2ccc(F)cc2)C(=O)/C1=C(\C)NCCO 101834050 YGLRYIWRRBJWGI-XNTDXEJSSA-N 335.335 0.947 10 10 ECCE CN(C)c1ccc(Cn2cc(CCS(=O)(=O)N(C)C)nn2)cc1 905796559 MFWCQJJUXCDHJX-UHFFFAOYSA-N 337.449 0.826 10 10 ECCE COc1ccc(N2CCN(CCNC(=O)c3nccn3C)CC2)cc1 741262664 FUJRMLUTEMWFRH-UHFFFAOYSA-N 343.431 0.981 10 10 ECCE CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)Cc1ccc(O)c(O)c1 1467584631 KFFRIOBRWPIRJU-UWVGGRQHSA-N 338.360 0.213 10 10 ECCE CN(CCNS(C)(=O)=O)C(=O)c1cc2cc(O)c(O)cc2s1 1543274758 FIXJMHFVXGLEJB-UHFFFAOYSA-N 344.414 0.934 10 10 ECCE CN(CCNC(=O)/C=C\c1ccc(O)c(O)c1)CCS(C)(=O)=O 1637167443 ULJXFFFMHMRBQJ-XQRVVYSFSA-N 342.417 0.204 10 10 ECCE O=C(Cc1ccc(O)c(O)c1)N(C1CC1)[C@H]1CCS(=O)(=O)C1 1585366245 XZKAYIPYHPWSKV-LBPRGKRZSA-N 325.386 0.818 10 10 ECCE C[C@H](N)c1ccc(N2CC3(C2)OC[C@@H](O)[C@H]3O)c(Br)c1 2183626530 IZZJLZRNZRVZMN-ZEGGKSINSA-N 343.221 0.780 10 10 ECCE Cc1cn([C@H]2C[C@@H](N=[N+]=[N-])[C@@H](CO)O2)c(=O)nc1N1CCOCC1 66087500 JKXBOVDMASPDJZ-IJLUTSLNSA-N 336.352 0.347 10 10 ECCE C[C@H](NC(=O)[C@H]1CN(C)C(=O)N1)c1ccc(N2CCOCC2)cc1 823835351 XVBSQNWCBUXUAX-SWLSCSKDSA-N 332.404 0.724 10 10 ECCE CCOC(=O)c1cnn2c(O)cc(COC(=O)[C@H](O)C3CCC3)nc12 838310564 SHGPHRMYLPPLLB-CYBMUJFWSA-N 349.343 0.816 10 10 ECCE CN(C)c1ccc(CNC(=O)C(=O)NCCCn2ccnn2)cc1 785422606 OWAKSQAQIJXTKQ-UHFFFAOYSA-N 330.392 0.167 10 10 ECCE CNC(=O)N[C@@H]1CCCN(CC(=O)NCc2ccc(N(C)C)cc2)C1 1308077279 XHEZDSVWAODRDW-OAHLLOKOSA-N 347.463 0.762 10 10 ECCE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CC[C@H]1CC[C@@H](C(N)=O)O1 1611430538 FCUKFJBUQLOOBF-NVBFEUDRSA-N 336.388 0.958 10 10 ECCE COc1cc(C(=O)N[C@@H](C)CNC(=O)Cc2ncc[nH]2)cc(OC)n1 1704051465 FDFUOJPOEHADRX-JTQLQIEISA-N 347.375 0.299 10 10 ECCE NC(=O)N=Nc1ccc(C(=O)NC[C@H]2CCN2CCOCCO)cc1 1716672969 JABKZZZAQAKCTM-CQSZACIVSA-N 349.391 0.662 10 10 ECCE COc1ccc(-n2nnnc2CN[C@@H](C)CNC(=O)C2CC2)cc1 1566993534 ODBZSPVFLNOJSQ-NSHDSACASA-N 330.392 0.675 10 10 ECCE Cc1cc(=O)c(OC[C@H](O)CO)cn1CCCOc1ccc(N)cc1 1857917039 ZCEZQUJTFWOCEF-OAHLLOKOSA-N 348.399 0.940 10 10 ECCE NCc1ccc(N2CC(OCC(N)=O)C2)c(F)c1Br 2089133177 LBCKLAJCRJPPOU-UHFFFAOYSA-N 332.173 0.737 10 10 ECCE Cc1nc(CNC(=O)c2cc(NS(C)(=O)=O)ccc2O)no1 266455438 PAVPFWTWVXQOKK-UHFFFAOYSA-N 326.334 0.385 10 10 ECCE COc1ccc(N2CC[C@H](CNC(=O)[C@H]3CN(C)C(=O)N3)C2)cc1 854981521 UYRCPZRAEZDMHO-IUODEOHRSA-N 332.404 0.661 10 10 ECCE O=C(Cc1ccc(O)c(O)c1)N1CCO[C@H](CN2CCOCC2)C1 1301736040 FCUCTTKVBCKEDK-CQSZACIVSA-N 336.388 0.200 10 10 ECCE CC(C)N(C[C@@H]1CCC(=O)N1)C(=O)C(=O)N1Cc2cccc(O)c2C1 1332040379 YUQLWUHARFJBOR-ZDUSSCGKSA-N 345.399 0.750 10 10 ECCE CCS(=O)(=O)N1CCC[C@H](C(=O)NCc2c(O)cccc2O)C1 1558533623 IUNIDBQQHCBUQO-NSHDSACASA-N 342.417 0.776 10 10 ECCE CC1(C)NC(=O)N(CCCNC(=O)c2c(F)ccc(O)c2O)C1=O 1649142457 VZQPZLZPIXNCDR-UHFFFAOYSA-N 339.323 0.687 10 10 ECCE CC(C)CN1C(=O)/C(=C/NCCCn2ccnc2)C(=O)NC1=S 255366317 LMTQNHBXFCDQLQ-XYOKQWHBSA-N 335.433 0.646 10 10 ECCE CCOC(=O)c1cnn2c(O)cc(CN3[C@H]4CC[C@H]3[C@H](CO)C4)nc12 289478734 ICCXKLWXXATORS-JKOKRWQUSA-N 346.387 0.957 10 10 ECCE CC(=O)C(=O)COC(=O)[C@H]1CCCN1C(=O)OCC(F)(F)F 808514244 XOZLQYOORXCGNB-MRVPVSSYSA-N 325.239 0.851 10 10 ECCE CN1CCN(C[C@@H](O)CNCc2ccc(N3CC=CC3)cc2)CC1 819094820 NGTLOHGSZBSOMC-IBGZPJMESA-N 330.476 0.761 10 10 ECCE CNC(=O)[C@H]1CCN(C(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)C1 817833904 RKCDBCPMEPUKPQ-JSGCOSHPSA-N 346.431 0.524 10 10 ECCE CN(C)S(=O)(=O)CC(=O)NCc1c(O)ccc2c1CCCC2 752600805 PMRNENQGKLHEGG-UHFFFAOYSA-N 326.418 0.779 10 10 ECCE CN(C)c1ccc(/C=C\CNC[C@@]23COCCN2C(=O)COC3)cc1 865795353 GTHQXONZZQJZFP-LLHWWHOWSA-N 345.443 0.983 10 10 ECCE C[C@@H](NC(=O)C(=O)NCc1ccnn1C)c1ccc(N(C)C)cc1 788503798 ONRBFPMMISEMSU-GFCCVEGCSA-N 329.404 0.980 10 10 ECCE N[C@@H]1C(=O)Nc2cc(N3C[C@@H](O)C[C@@H]3CO)c(Br)cc21 704710474 ZXFDNYOINFRZJR-LTMDPNIMSA-N 342.193 0.333 10 10 ECCE NC(=O)N=Nc1ccc(C(=O)NCc2nnc3n2CCOC3)cc1 1618656189 RKVXDKOBMMVIAD-UHFFFAOYSA-N 329.320 0.901 10 10 ECCE O=C(NCc1cc(O)ccc1O)c1ccnc(N2CCOCC2)n1 1633599067 NRGWPAOBNCORCR-UHFFFAOYSA-N 330.344 0.654 10 10 ECCE Cn1cc([C@@H]2C[S@@](=O)CCN2C(=O)Cc2ccc(O)c(O)c2)cn1 1556180465 LUSGURKOHZVKJQ-RZFZLAGVSA-N 349.412 0.706 10 10 ECCE COc1ccc(CNC[C@@H](C)NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)cc1C 1669395418 BSLPYXDMEAMXFV-UHOFOFEASA-N 349.431 0.631 10 10 ECCE COc1cc(C(=O)N[C@H](C)CN(C)C(=O)c2nc[nH]n2)cc(OC)n1 1774100560 PQXOOMNGMDOOKQ-SECBINFHSA-N 348.363 0.107 10 10 ECCE 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ECCE CN(C)c1cc(F)c(CN2CC(n3cc(C(N)=O)nn3)C2)cc1F 862389072 GANBFBSOXLGNHI-UHFFFAOYSA-N 336.346 0.778 10 10 ECCE CCN1C(=O)[C@@H]2CN(C(=O)/C=C\c3ccc(O)c(O)c3)CCN2C1=O 779527236 DOABUGWLXJNCIE-RNZFLTOJSA-N 345.355 0.606 10 10 ECCE C[C@H](NC(=O)NC[C@H](C)S(N)(=O)=O)c1ccc(N(C)C)cc1 799975890 SQPHRUMRPJTVTE-QWRGUYRKSA-N 328.438 0.790 10 10 ECCE NCc1ccc(N2CC3(CNS(=O)(=O)C3)C2)c(Br)c1 2119568364 XICRUTKZRGQIIX-UHFFFAOYSA-N 346.250 0.647 10 10 ECCE O=C1NC(=O)[C@H]2CN(C(=O)c3cc4cc(O)c(O)cc4s3)C[C@@H]12 1449944334 BJOSVHHALOWWEX-OCAPTIKFSA-N 332.337 0.657 10 10 ECCE COc1ccc(CNC[C@H](O)CNC(=O)CC2(O)CCC2)cc1C 1496980074 LVSGGLNMFZIPJQ-HNNXBMFYSA-N 336.432 0.875 10 10 ECCE Cc1c(O)nc(CCN(C)C(=O)Cc2ccc(O)c(O)c2)nc1O 1597553667 BFEZDFZPHLUCPV-UHFFFAOYSA-N 333.344 0.851 10 10 ECCE Cc1cc(=O)c(OC[C@H](O)CO)cn1CCOc1ccc(N)cc1 1857916826 OLSWPCCFBSNTSZ-CQSZACIVSA-N 334.372 0.550 10 10 ECCE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](O)[C@@H]1C(=O)NCCCN=[N+]=[N-] 1993362033 QFMYHZVFRBRYSI-IVZWLZJFSA-N 329.357 0.144 10 10 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COc1cc(C(=O)N[C@H](CO)CNC(=O)C=C2CCC2)cc(OC)n1 1572317914 CDHHRBHXCVQWCX-ZDUSSCGKSA-N 349.387 0.416 10 10 ECCE NC(=O)N=Nc1ccc(C(=O)N2CCC[C@@H]3OCCNC(=O)[C@@H]32)cc1 1588102554 ZUKAFOSEDINKCX-QWHCGFSZSA-N 345.359 0.969 10 10 ECCE C[C@H](NC(=O)NC[C@]12COCCN1C(=O)OC2)c1ccccc1O 1675402894 OMORTVFKRYYJPL-MEDUHNTESA-N 335.360 0.974 10 10 ECCE Cc1cc(O)n2ncc(C(=O)N3CCC[C@H]3CN3CCOCC3)c2n1 2063964046 PTPAYSOQWXMGOX-ZDUSSCGKSA-N 345.403 0.680 10 10 ECCE C[C@H]1CNCC[C@H]1NC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 842266919 VHLZISTUIVPJNZ-XJKSGUPXSA-N 332.448 0.825 10 10 ECCE COc1ccc(N2CC[C@@H](NC(=O)N3CCN(C)C(=O)C3)C2)cc1 852448543 KFDSTIGYPVJURD-CYBMUJFWSA-N 332.404 0.758 10 10 ECCE CCOc1ccc(CNC2CN(S(=O)(=O)N(C)C)C2)c(O)c1 858312036 SUGQSJNYSAAFPN-UHFFFAOYSA-N 329.422 0.371 10 10 ECCE COc1ccc(N2CC[C@@H](NC(=O)C(=O)NCC(F)F)C2)cc1 855227924 RSMFYAWNOXCFDK-SNVBAGLBSA-N 327.331 0.771 10 10 ECCE OCc1nnc2n1CCN(Cc1ccc(N3CCOCC3)c(F)c1)C2 769516463 KKJIBOYOUUWUSH-UHFFFAOYSA-N 347.394 0.762 10 10 ECCE 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10 10 ECCE COc1cc(N(C)CCNS(C)(=O)=O)c([N+](=O)[O-])cc1OC 1639456929 JKZCAGQQFQMRLM-UHFFFAOYSA-N 333.366 0.597 10 10 ECCE COc1ccc(-n2nnnc2CN[C@@H](C)CNC(=O)[C@H](C)OC)cc1 1690557820 XMEWAZIZLMVMPU-RYUDHWBXSA-N 348.407 0.300 10 10 ECCE CCOc1ccc(O)c(CN2CCS(=O)(=O)C[C@H]2C(=O)OC)c1 276736108 HZCVMQJOKMZJGW-ZDUSSCGKSA-N 343.401 0.563 10 10 ECCE CC(=O)C(=O)COC(=O)[C@@H]1CCN(c2ccc3c(c2)OCCO3)C1=O 808516101 YVAKVZLQUZXPJK-GFCCVEGCSA-N 347.323 0.512 10 10 ECCE Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@H](C)Cn1cncn1 803916528 QCGYCXIOLLRNQB-CYBMUJFWSA-N 344.419 0.474 10 10 ECCE CCn1nncc1COC(=O)c1cc(NS(C)(=O)=O)ccc1O 837465826 ONJVOQBKIKVVOJ-UHFFFAOYSA-N 340.361 0.732 10 10 ECCE CCOC(=O)C[C@H](O)C(=O)NCc1ccc(N2CCN(C)CC2)cc1 918851960 FDXHGNCCZQAYAX-INIZCTEOSA-N 349.431 0.369 10 10 ECCE NC(=O)C1CCN(c2ccc(CN3C(=O)N[C@H](CF)C3=O)cc2)CC1 925132791 JYDGWJJXCWGSGF-CQSZACIVSA-N 348.378 0.778 10 10 ECCE COc1c([N+](=O)[O-])ccc(CN2CCN(CCO)[C@@H](C)C2)c1O 775085130 CUTJLWHEDWSFOR-NSHDSACASA-N 325.365 0.807 10 10 ECCE Cn1nnnc1CCNC(=O)NCCCSc1nccs1 772513763 CAYXFIHHZBRABW-UHFFFAOYSA-N 327.439 0.691 10 10 ECCE C[C@@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)NCc1nncn1C 1317287581 CGJGKRRKJAVHIJ-JTQLQIEISA-N 344.379 0.886 10 10 ECCE O=C(CN1C(=O)CNC1=O)NCc1cc(Br)ccc1O 1323969392 QQMYKGFNIRZFDE-UHFFFAOYSA-N 342.149 0.323 10 10 ECCE CN(C)C(=O)CN1CCCN(C(=O)/C=C\c2ccc(O)c(O)c2)CC1 1177735352 GNGBDIUOZXLZSH-ALCCZGGFSA-N 347.415 0.734 10 10 ECCE COC1(C(=O)Nc2c(Cl)ccc3nonc23)CS(=O)(=O)C1 1271356186 KZYJXBUHIXOLAH-UHFFFAOYSA-N 331.737 0.628 10 10 ECCE O=C1Nc2cc(N3CC(F)(CO)C3)c(Br)cc2[C@H]1O 2116281263 NCYBLJOCODOUJA-SNVBAGLBSA-N 331.141 0.955 10 10 ECCE COc1ccc(CN[C@@H](CO)CNC(=O)[C@@H](C)n2cncn2)cc1C 1485989398 OJVOAEBSGBKDBL-UKRRQHHQSA-N 347.419 0.423 10 10 ECCE C[C@H](CO)NC(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 1638479760 WBSVZJRCVWEZHD-GFCCVEGCSA-N 334.420 0.568 10 10 ECCE Cn1ncc(C2OCCO2)c1S(=O)(=O)NCc1ccccc1O 2144008392 BGVCEZPSKRGIOG-UHFFFAOYSA-N 339.373 0.650 10 10 ECCE COc1ccc(N2CCN(C)CC2)cc1NS(=O)(=O)N(C)C 74587036 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COc1ccc(N2CC[C@@H](NC(=O)CN3CCC(=O)NC3=O)C2)cc1 855230245 DQOIIHDPVQVZKM-GFCCVEGCSA-N 346.387 0.332 10 10 ECCE COCCN1CCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CC1 761870546 FOUHQGQPHJTOAL-UHFFFAOYSA-N 336.348 0.694 10 10 ECCE N=c1nn[nH]n1-c1cccc(C(=O)NCc2ccc(O)c(O)c2)c1 1150378061 NWERGROYYXZARS-UHFFFAOYSA-N 326.316 0.416 10 10 ECCE O=C1CN(c2ccnc(C(=O)NCc3c(O)cccc3F)c2)CCN1 1456028360 HMIIOPULHNRMNB-UHFFFAOYSA-N 344.346 0.793 10 10 ECCE COc1ccc(-n2nnnc2CN2CC(NC(=O)[C@H](C)OC)C2)cc1 1494350188 YKZOTYCVOFLJGA-NSHDSACASA-N 346.391 0.006 10 10 ECCE COC(=O)c1cn(CCNC(=O)N[C@@H](C)c2ccccc2O)nn1 1682494391 PKRFALUWLLGSBW-JTQLQIEISA-N 333.348 0.831 10 10 ECCE Cc1cc(=O)c(OCC(=O)c2ccc(O)c(O)c2)cn1CC(=O)O 1857914525 IJTJVLPJCUSCFH-UHFFFAOYSA-N 333.296 0.914 10 10 ECCE Cc1cc(O)n2ncc(C(=O)N3CCN(C[C@H](C)O)C[C@H]3C)c2n1 2062295493 IGSDLQPSUIPPOQ-NEPJUHHUSA-N 333.392 0.270 10 10 ECCE NC(=O)[C@H]1C[C@@H](N)CN(Cc2ccc(Br)cc2O)C1 2094658498 HSQRYQFXYLJQBT-GXSJLCMTSA-N 328.210 0.789 10 10 ECCE CO[C@@H]1C=C[C@](CNC(=O)[C@@H](C)n2nc3c(cc2=O)CCC3)(OC)O1 585413834 FGZKLCZRACNUSA-PJQXDXOGSA-N 349.387 0.311 10 10 ECCE CCN1C[C@H](S(=O)(=O)NCc2cccc(OC)c2O)CC1=O 866841077 SWEFVZMFQLASHG-LLVKDONJSA-N 328.390 0.441 10 10 ECCE CN(Cc1ccccc1O)C(=O)C(=O)N1CC[C@](O)(C(F)(F)F)C1 1117843579 KPEYTSVJDARAET-CQSZACIVSA-N 346.305 0.876 10 10 ECCE CN[C@H](C)CCNC(=O)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 1327485192 JMVKXBBYECHPRW-KGLIPLIRSA-N 348.447 0.504 10 10 ECCE NC(=O)CN1CCN(Cc2ccc(Br)cc2O)CC1=O 1328758428 FSSAIUOGBNDNGB-UHFFFAOYSA-N 342.193 0.284 10 10 ECCE O=C(Cc1ccc(O)c(O)c1)N1CCS(=O)(=O)[C@@H]2CCC[C@H]21 1449582445 HAYKUWBLBCPAQT-BXUZGUMPSA-N 325.386 0.818 10 10 ECCE COc1ccc(CN[C@@H](C)[C@H](C)NC(=O)Cn2ncnn2)cc1C 1282128418 KKASOLQDDKJBPO-STQMWFEESA-N 332.408 0.673 10 10 ECCE Cc1nn(C)cc1C1=NO[C@H](C(=O)NCc2ccc(O)c(O)c2)C1 1635959661 LWLVMQDHAROVMF-HNNXBMFYSA-N 330.344 0.949 10 10 ECCE NCc1ccc(N2CCC[C@@](O)(C(N)=O)C2)c(Br)c1 311804704 FMODLYVGCPTGBP-ZDUSSCGKSA-N 328.210 0.724 10 10 ECCE C[C@@H](N)c1ccc(N2CC3(C2)OC[C@H](O)[C@H]3O)cc1Br 2183626990 MYHGZPGJSZPKKR-OXHMUOHRSA-N 343.221 0.780 10 10 ECCE CSc1ncc(CNS(=O)(=O)c2c(C=O)cnn2C)s1 2284668770 XTNWITIPCBQHEL-UHFFFAOYSA-N 332.432 0.890 10 10 ECCE CS(=O)(=O)N1CC[C@H](CNC(=O)NCc2c(O)cccc2F)C1 921621284 OOBDTKHDPMEHMP-SNVBAGLBSA-N 345.396 0.612 10 10 ECCE COc1ccc(N2CC[C@H](NC(=O)[C@H]3CN4CCCN3CC4)C2)cc1 855233571 ILOBGQNRWATSBJ-MAUKXSAKSA-N 344.459 0.780 10 10 ECCE COc1ccc(N2CC[C@H](NC(=O)C(=O)Nc3cnnn3C)C2)cc1 850536693 JBQJQWWAIGTUEU-NSHDSACASA-N 344.375 0.157 10 10 ECCE CN(C)c1ccc(CNC(=O)C(=O)N2C[C@]3(C)CNC[C@]3(C)C2)cc1 861735098 MUDRAYCGWRLLTQ-KDURUIRLSA-N 344.459 0.827 10 10 ECCE O=C(N[C@H]1CCN(c2ccc3nncn3n2)C1)c1cccc(O)c1O 862788243 GDURSQWYLRSLEG-JTQLQIEISA-N 340.343 0.544 10 10 ECCE COc1nn(C)cc1NC(=O)C(=O)NCCc1ccc(O)c(O)c1 1116740592 NVHAUYJGWBWQQR-UHFFFAOYSA-N 334.332 0.137 10 10 ECCE O=C(NCc1ccc(N2CCSCC2)cc1)C(=O)N1CC(CO)C1 789862454 TWBMFHOWEOBGIU-UHFFFAOYSA-N 349.456 0.307 10 10 ECCE COc1ccc(N2CC[C@@H](NC(=O)C(=O)NC[C@@H](C)OC)C2)cc1 1328562284 VWRWPFFWIIQJAA-CHWSQXEVSA-N 335.404 0.541 10 10 ECCE CN(Cc1ccccc1O)C(=O)C(=O)N1C[C@H]2CC[C@H]1[C@H](CO)C2 1327674735 JTWPZUHLZWVEPS-QEJZJMRPSA-N 332.400 0.970 10 10 ECCE COc1cc(C(=O)N[C@@H](C)CNC(=O)CCN(C)C)cc(OC)n1 1354696494 ZTAWMIOQMPQXDS-NSHDSACASA-N 338.408 0.285 10 10 ECCE NC(=O)C1CCN(c2ccc(CNC(=O)[C@@H]3CCC(=O)N3)cc2)CC1 1638488236 ADANOONTCDCTRW-HNNXBMFYSA-N 344.415 0.283 10 10 ECCE CS(=O)(=O)N1CC(CNC(=O)c2ccc(N=NC(N)=O)cc2)C1 1633607730 KBIBMYIGBPBOJA-UHFFFAOYSA-N 339.377 0.470 10 10 ECCE CC(=O)C(=O)COC(=O)/C(=C\c1ccc(F)cc1)n1nnnc1C 808493147 TWUSRNLEJPTJAU-NTUHNPAUSA-N 332.291 0.820 10 10 ECCE COc1ccc(N2CCN(CCNC(=O)N[C@H](C)[C@@H](C)N)CC2)cc1 841749742 IEAPKWIBLWJFPF-HUUCEWRRSA-N 349.479 0.852 10 10 ECCE Cn1ncnc1C1(O)CN(Cc2ccc(Br)cc2O)C1 895616822 PMAXNUSKBMHACO-UHFFFAOYSA-N 339.193 0.987 10 10 ECCE O=C(NCCCN1C(=O)CNC1=O)c1cc2cc(O)c(O)cc2s1 1144973149 RZNNVRMOOQUXTP-UHFFFAOYSA-N 349.368 0.984 10 10 ECCE COC(=O)/C=C/[C@@H](C)NC(=O)c1cc(NS(C)(=O)=O)ccc1O 1305797059 GLZDSYIFDLPELR-ILFKPUCNSA-N 342.373 0.611 10 10 ECCE COC(=O)[C@@]1(C)CCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C1 1330469858 BFXJLIVVIQJYQV-KRWDZBQOSA-N 332.356 0.646 10 10 ECCE COc1cc(C(=O)N[C@H](CO)CNC(=O)CC2CC2)cc(OC)n1 1510817363 YSDGBBOUMHAEHS-LBPRGKRZSA-N 337.376 0.106 10 10 ECCE CN(CCNCC(=O)N1CCC1)C(=O)c1ccc(N=NC(N)=O)cc1 1713668540 OMIOZFLWFFTBAY-UHFFFAOYSA-N 346.391 0.743 10 10 ECCE O=C(CCn1nnc2ccccc2c1=O)NCc1cccc(O)c1O 1637034825 MAWXYBBNFJYRNG-UHFFFAOYSA-N 340.339 0.909 10 10 ECCE [N-]=[N+]=N[C@@H]1C[C@@H](n2cc(Br)c(=O)[nH]c2=O)O[C@@H]1CO 27082047 VKYMRXNXDPKKRV-QYNIQEEDSA-N 332.114 0.258 10 10 ECCE Cn1nnc(CNC(=O)OC(C)(C)C)c1C(=O)N1CC(N=[N+]=[N-])C1 2010389627 SELTUGHJGXQFLA-UHFFFAOYSA-N 336.356 0.975 10 10 ECCE Cc1ccccc1N1C(=O)NC(=O)C(=CNN2CCN(C)CC2)C1=O 2296103182 UDFAZYNWYTZINB-UHFFFAOYSA-N 343.387 0.214 10 10 ECCE COc1ccc(N2CCN(C(=O)C3=NN(C)C(=O)CC3)CC2)cc1 53164562 CBSNQBYZALCXPE-UHFFFAOYSA-N 330.388 0.952 10 10 ECCE CC(=O)C(=O)COC(=O)CCc1c(C)nc2c(c(O)nn2C)c1C 808525740 HVMVTWIGXBWPFU-UHFFFAOYSA-N 333.344 0.925 10 10 ECCE CN(C)c1ccc([C@H](N)CNS(=O)(=O)[C@H]2CCCNC2)cc1 923633122 DCUPHRWVUNEBQT-LSDHHAIUSA-N 326.466 0.424 10 10 ECCE NC[C@@H]1CC(C(=O)NCc2ccc(N3CCSCC3)cc2)=NO1 852860009 HNKMSJPGSGQYDJ-AWEZNQCLSA-N 334.445 0.960 10 10 ECCE CN(Cc1ccccc1O)C(=O)c1cn(C[C@H]2CNC(=O)O2)nn1 1149871608 JUQMFYMJVMDAKP-LLVKDONJSA-N 331.332 0.364 10 10 ECCE CNC(=O)NCC(=O)N1CC[C@H](CNCc2ccc(OC)c(C)c2)C1 1317321113 CWLLMJNZNGIUFV-OAHLLOKOSA-N 348.447 0.871 10 10 ECCE O=C(CC1(n2cnnn2)CCOCC1)NCc1cc(O)ccc1O 1176754486 DOBRUFGUSZEEPT-UHFFFAOYSA-N 333.348 0.297 10 10 ECCE CC1(F)CN(C(=O)C(=O)NCc2ccc(N3CCC(O)CC3)cc2)C1 1350940837 SSHCZCFWUBMMEU-UHFFFAOYSA-N 349.406 0.834 10 10 ECCE CN(C)c1ccc2nnc(CNC(=O)c3cccc(O)c3O)n2n1 1472056653 KICXTSNVUPMJHI-UHFFFAOYSA-N 328.332 0.532 10 10 ECCE O=C(Cc1ccc(O)c(O)c1)N1CCC(C(=O)N2CCOCC2)CC1 1540136549 NMUMACWBKPTHAA-UHFFFAOYSA-N 348.399 0.738 10 10 ECCE CS(=O)(=O)Nc1ccc(O)c(C(=O)N[C@H]2COC[C@@H]2C2CC2)c1 1558745935 LNIDXVDSARCNMJ-OLZOCXBDSA-N 340.401 0.919 10 10 ECCE CCn1cc(CNC(=O)NCc2ccc(OC)cc2O)c(O)nc1=O 1565492652 AQEOHVUBACRQBJ-UHFFFAOYSA-N 348.359 0.682 10 10 ECCE CN(C)c1ccc([C@H](NC(=O)C[C@H](N)C(=O)O)c2nccn2C)cc1 1865997004 MJGUNOGUXVTUBA-ZFWWWQNUSA-N 345.403 0.494 10 10 ECCE CC[C@@H](NCC(O)(CO)CO)c1cc(Br)ccc1O 1913789757 NEKIXZCTWKUREP-LLVKDONJSA-N 334.210 0.911 10 10 ECCE N[C@@H]1C(=O)Nc2cc(N3C[C@@H](O)C[C@@H](O)C3)c(Br)cc21 2161358471 ZZSMXQYTPQGTPR-KJNMHVQDSA-N 342.193 0.333 10 10 ECCE [N-]=[N+]=NCCNc1ccc2c(c1)C(=O)N([C@H]1CCC(=O)NC1=O)C2=O 2086864902 QZHVVNSQXZKQPJ-NSHDSACASA-N 342.315 0.810 10 10 ECCE N[C@@H]1C(=O)Nc2cc(N3C[C@@H](O)[C@H](F)C3)c(Br)cc21 2092828957 MPYUWUWLHYQMSH-ONOSFVFSSA-N 330.157 0.920 10 10 ECCE CC(C)(C)OC(=O)N[C@H]1C[C@@H]([C@@H](F)COc2nnc(=N)[nH]n2)C1 2210651643 LJBXGDLDPZOGHA-YIZRAAEISA-N 328.348 0.699 10 10 ECCE COc1ccc(Br)c(CN[C@@H]2CN(C)C[C@H]2O)c1O 2227748415 OGZHRKKAKQNXJS-GHMZBOCLSA-N 331.210 0.928 10 10 ECCE CN1C[C@@H](NC(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)CCC1=O 287104383 SREIOPCIMPWSEV-AWEZNQCLSA-N 346.431 0.448 10 10 ECCE CC(=O)C(=O)COC(=O)c1nnn(-c2ccc3c(c2)OCCO3)c1C 808517006 UZGLVUVVSJJYQP-UHFFFAOYSA-N 345.311 0.662 10 10 ECCE CCNC(=O)CN(C)c1cc2c(cc1Br)[C@H](N)C(=O)N2 723168882 CKFSSNDTRIDAMB-LBPRGKRZSA-N 341.209 0.973 10 10 ECCE CNS(=O)(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1 795905827 PLWJNVSAHXOWOU-UHFFFAOYSA-N 338.477 0.772 10 10 ECCE COC[C@]1(C)CN(C(=O)C(=O)N(C)Cc2ccccc2O)CCO1 1328784825 GCBFWJUHSSTCIV-KRWDZBQOSA-N 336.388 0.615 10 10 ECCE CO[C@]1(CNC(=O)NCc2ccccc2O)CCS(=O)(=O)C1 1251162521 OKNOIDSLSMABKO-AWEZNQCLSA-N 328.390 0.395 10 10 ECCE COc1ccc(CN[C@H]2C[C@H](NC(=O)CS(C)(=O)=O)C2)cc1C 1266581192 UXKZZEQEIGUOEL-HDJSIYSDSA-N 340.445 0.785 10 10 ECCE COc1ccc(N2CCN(C(=O)c3ns[nH]c3=O)CC2)cc1F 1294824217 UBASEALMHFJLLN-UHFFFAOYSA-N 338.364 0.942 10 10 ECCE Cn1cc(C(=O)NC[C@H]2CCCN2C(=O)c2cccc(O)c2O)cn1 1569044817 WPUZFADBKOHWID-GFCCVEGCSA-N 344.371 0.866 10 10 ECCE O=C(NCc1ccc(O)cc1O)[C@@H]1Nc2ccccc2S(=O)(=O)N1 1570462544 XSCQNJNKMRIHJR-CQSZACIVSA-N 349.368 0.444 10 10 ECCE CN1NC(=O)[C@H](CC(=O)Nc2ccccc2Br)C1=O 169996245 VJOGPCZEUQYALX-ZETCQYMHSA-N 326.150 0.897 10 10 ECCE O=C(C=Cc1ccc(N2CCOCC2)cc1)N[C@H]1CCCNC1=O 2042436383 XQCKYCFVEMBZOF-INIZCTEOSA-N 329.400 0.931 10 10 ECCE CNCc1ccc(N2CC[C@](O)(CO)[C@@H](O)C2)cc1Br 2234096423 KIAUUACCTSMMJN-KBPBESRZSA-N 345.237 0.463 10 10 ECCE CS(=O)(=O)N[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1 272534006 XEHFXBXUGYVNEQ-JOAKQRRISA-N 326.374 0.261 10 10 ECCE O=C(NCCc1ccc(O)c(O)c1)[C@H]1COCCN1CC(F)F 274619799 PUGZDYYWBXHQLT-LLVKDONJSA-N 330.331 0.722 10 10 ECCE Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)CS(=O)(=O)N(C)C 839920791 UERWMBGBIZNPIV-CYBMUJFWSA-N 341.477 1.000 10 10 ECCE Nc1ccc(NC(=O)C(=O)N2CCN(CC(F)(F)F)C(=O)C2)cc1 841127131 KJAMACCAUUDNIE-UHFFFAOYSA-N 344.293 0.440 10 10 ECCE COc1ccc(O)c(CNC(=O)NCCc2nnc3n2CCC3)c1 754917162 AUXWPDMPLJJNMN-UHFFFAOYSA-N 331.376 0.980 10 10 ECCE CN(C)c1ccc(CNC(=O)CN2C[C@@H](CO)[C@@H](CCO)C2)cc1 1308163308 KHFYRMCJODHIHL-HOTGVXAUSA-N 335.448 0.292 10 10 ECCE CNC(=O)NCC(=O)NCC1(NCc2ccc(OC)c(C)c2)CC1 1483737692 BRTBKCXREPZCNW-UHFFFAOYSA-N 334.420 0.671 10 10 ECCE O=S1(=O)CC(O)(CNCc2cccc(Br)c2O)C1 2256077536 ZTLOYGGSEFEDJC-UHFFFAOYSA-N 336.207 0.404 10 10 ECCE NC[C@]1(CO)COCCN1Cc1ccc(Br)cc1O 693975870 XHTJCRLIRGLKRX-ZDUSSCGKSA-N 331.210 0.677 10 10 ECCE O=C(O)[C@H]1[C@H](O)[C@H](O)CN1Cc1c(O)cccc1Br 2332870346 GBFBQQFOIVMMAY-GMTAPVOTSA-N 332.150 0.145 10 10 ECCE CO[C@@H](CS(=O)(=O)NCCc1ccc(N)cc1)[C@@H]1CCOC1 850586727 DOSSFIBEQDGKAO-HIFRSBDPSA-N 328.434 0.782 10 10 ECCE COc1ccc(N2CC[C@H](NC(=O)Cn3cc([C@@H](C)O)nn3)C2)cc1 855233989 QJJGPZHUVCDBBL-OLZOCXBDSA-N 345.403 0.735 10 10 ECCE C[C@H](NC(=O)NCC1CN(S(C)(=O)=O)C1)c1ccccc1O 868523386 GLDCAYGQPWTACD-JTQLQIEISA-N 327.406 0.644 10 10 ECCE C[C@@H](NC(=O)C1CS(=O)(=O)C1)c1ccc(N2CCOCC2)cc1 865017780 ADXMOMCXFJSCPF-GFCCVEGCSA-N 338.429 0.745 10 10 ECCE COCCNC(=O)[C@H](CC(C)C)NC(=O)Cc1ccc(O)c(O)c1 1137554101 YLXQBRPSNVVNBG-ZDUSSCGKSA-N 338.404 0.934 10 10 ECCE CN(Cc1ccccc1O)C(=O)C(=O)N1CCN(C2CC2)C(=O)C1 1325151745 VEFGDEKTLAZXCU-UHFFFAOYSA-N 331.372 0.184 10 10 ECCE CN1CCN(c2ccc(CNC[C@H]3COCCN3C)cc2F)CC1 1331521618 SPJBLAZITXRPNB-INIZCTEOSA-N 336.455 0.998 10 10 ECCE CN1C(=O)C(=O)N(CC(=O)NCc2cc(Cl)ccc2O)C1=O 1583817777 VQLBVINMLBXLDR-UHFFFAOYSA-N 325.708 0.082 10 10 ECCE CCCN(Cc1ccccc1O)C(=O)[C@H](C)NC(=O)Cn1cnnn1 1588183253 BYBPJYIULIXLMI-LBPRGKRZSA-N 346.391 0.322 10 10 ECCE Cc1cccc(N2CCN(C(=O)C[C@H]3C(=O)NN(C)C3=O)CC2)c1 169995857 DOERIZACWFIHAA-AWEZNQCLSA-N 330.388 0.153 10 10 ECCE Nc1ccc(OCCS(=O)(=O)N2CCC[C@H]2C2OCCO2)cc1 2145844030 RHVQOTLRVHTAEP-AWEZNQCLSA-N 342.417 0.815 10 10 ECCE C[C@@H](N)c1ccc(N2CC[C@](O)(CO)[C@@H](O)C2)c(Br)c1 2234099085 ZSDHJZQEHCUBSY-IIMNLJJBSA-N 345.237 0.763 10 10 ECCE COc1cc(N2Cc3ncn(C)c3[C@H](C(=O)NC3CCC3)C2)ncn1 248032372 LSQKQOZNTNQYII-GFCCVEGCSA-N 342.403 0.991 10 10 ECCE COc1ccc(N2CCN(CCNC(=O)N[C@H](C)CO)CC2)cc1 299320112 CBJPHKDHQZSICX-CQSZACIVSA-N 336.436 0.497 10 10 ECCE COc1ccc(N2CC[C@@H](NC(=O)c3ccc(=O)n(C)n3)C2)cc1 855230129 SWMDORXWOVHTFX-GFCCVEGCSA-N 328.372 0.798 10 10 ECCE O=C(NCCc1ccc(O)c(O)c1)c1ccnc(N2CCOCC2)n1 860235199 QITMZHTYQVHCNF-UHFFFAOYSA-N 344.371 0.697 10 10 ECCE COCCN(CCF)C(=O)C(=O)NCc1ccc(N(C)C)c(F)c1 1118604446 JTLSFAMHTINJAA-UHFFFAOYSA-N 343.374 0.952 10 10 ECCE COc1cc(C)cc(CNC[C@]23COCCN2C(=O)COC3)c1O 895457042 CTODTCDUYLIBDM-QGZVFWFLSA-N 336.388 0.427 10 10 ECCE CN(C)S(=O)(=O)N1CCCN(Cc2cc(F)cc(F)c2O)CC1 894793037 CRTYVCYYUNVEHF-UHFFFAOYSA-N 349.403 0.985 10 10 ECCE COc1ccc(CNC[C@@H](O)CNC(=O)c2cn(C)cn2)cc1C 1732637860 JSRDCCYKFKWLPT-CQSZACIVSA-N 332.404 0.618 10 10 ECCE NCc1cc(F)c(N2CC3(C2)OC[C@H](O)[C@@H]3O)cc1Br 2183625691 BIDVCMMPZPVNJD-RYUDHWBXSA-N 347.184 0.358 10 10 ECCE C[C@@H](N)c1ccc(N2C[C@H](O)[C@H](O)[C@@H](CO)C2)c(Br)c1 2289487578 HNIKEILZJKLKDY-UMGHXEBTSA-N 345.237 0.619 10 10 ECCE 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ECCE CCS(=O)(=O)Nc1ccc(NS(=O)(=O)[C@H](C)C(=O)O)cc1 49050722 NMQCQQZLARVDPQ-MRVPVSSYSA-N 336.391 0.663 10 10 ECCE N[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O 196977171 CDNBJLNCPAGUKA-KGLIPLIRSA-N 344.367 0.780 10 10 ECCE CO[C@@H]1O[C@H](CN=[N+]=[N-])[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O 256000008 RRMTXDYAGCJCDG-QNWJLWSRSA-N 345.308 0.463 10 10 ECCE CC1(CNC(=O)c2cc(NS(C)(=O)=O)ccc2O)OCCCO1 277581511 QBYRHWXDQHTUID-UHFFFAOYSA-N 344.389 0.647 10 10 ECCE COc1ccc(N2CC[C@@H](NC(=O)NCc3cn(C)nn3)C2)cc1 852248743 LQJRLSJHOIFIAT-GFCCVEGCSA-N 330.392 0.902 10 10 ECCE NC[C@]12CCC[C@H]1CN(C(=O)C(=O)N1Cc3cccc(O)c3C1)C2 1119037591 UVVLOUWGVFTHIN-UGSOOPFHSA-N 329.400 0.822 10 10 ECCE CN1CC[C@@H]2CN(C(=O)C(=O)N3Cc4cccc(O)c4C3)CC[C@H]21 1329538546 UMDJYMKXEARBAI-UKRRQHHQSA-N 329.400 0.787 10 10 ECCE NC(=O)N=Nc1ccc(C(=O)NC[C@@H](CO)NCCCF)cc1 1700807885 KCVKQXSPCVYOLV-LBPRGKRZSA-N 325.344 0.889 10 10 ECCE CN(CC(=O)NCc1ccc(O)cc1O)c1ncnc2[nH]cnc12 1639444513 NZJRKEPAQPJIIC-UHFFFAOYSA-N 328.332 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CC(=O)C(=O)COC(=O)[C@@H]1CC(=O)N(C(C)(C)C)[C@H]1c1cnn(C)c1 808547756 QSEUVWPZUNBZBT-DOMZBBRYSA-N 349.387 0.810 10 10 ECCE CO[C@H](C(=O)O)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 901962018 YZXPASIKLDPMDQ-ZDUSSCGKSA-N 326.324 0.378 10 10 ECCE C[C@@H]1CN(Cc2cc3c(cc2O)OC[C@@H]3O)CCN1S(C)(=O)=O 853564800 XYOYRPYKHWQJOT-YGRLFVJLSA-N 342.417 0.284 10 10 ECCE Cc1ccc(C(=O)N[C@@H]2CCN(c3cc(O)ncn3)C2)c(O)c1O 1304645719 CWEPJOWBBGDHMK-SNVBAGLBSA-N 330.344 0.911 10 10 ECCE NS(=O)(=O)N1CCC(C(=O)NCc2cccc(Cl)c2O)CC1 1180409539 ANIZMRWTNWUAIK-UHFFFAOYSA-N 347.824 0.577 10 10 ECCE COCc1nc2n(n1)C[C@H](NC(=O)Cc1ccc(O)c(O)c1)CC2 1465839000 HBNLVIPWBABKNK-LLVKDONJSA-N 332.360 0.509 10 10 ECCE CC[C@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)NCC(=O)NC 1714125098 NMKSHSLCGHUTNJ-LLVKDONJSA-N 334.380 0.693 10 10 ECCE CCS(=O)(=O)N1CCC(C(=O)NCc2ccc(O)cc2O)CC1 1638353021 ZHRGHYQFJGPDPI-UHFFFAOYSA-N 342.417 0.776 10 10 ECCE COCCOCCN1CC(NC(=O)c2ccc(N=NC(N)=O)cc2)C1 1732118668 IWJRYUBIELYSQF-UHFFFAOYSA-N 349.391 0.926 10 10 ECCE CC(C)(C)OC(=O)NCC(=O)NCC(=O)N1CC[C@H](CN=[N+]=[N-])C1 2010403711 IITWPCBFTQKCGU-SNVBAGLBSA-N 340.384 0.786 10 10 ECCE CN(C)c1ccc(CNC(=O)C=Cc2cn(C)c(=O)n(C)c2=O)cc1 2040491185 WMHWGYZYUWPDNN-UHFFFAOYSA-N 342.399 0.480 10 10 ECCE NCc1cc(F)c(N2C[C@H]3C[C@H]2[C@@H](O)[C@H]3O)cc1Br 2104413557 DNOOIUSPMRVPCQ-FFAVSVRISA-N 331.185 0.977 10 10 ECCE NC(=O)[C@H]1CCN1c1cc2c(cc1Br)[C@H](N)C(=O)N2 2089366869 UYWHKXRKNKRERP-SCZZXKLOSA-N 325.166 0.465 10 10 ECCE CSc1ncc(CNS(=O)(=O)N2CCC[C@@H](CN)C2)s1 2284687555 HFPLDMLHOKOJKV-VIFPVBQESA-N 336.508 0.870 10 10 ECCE CCNS(=O)(=O)Nc1cc(N2CCN(C=O)CC2)ccc1OC 62275247 OOPFMQIEUCIUPG-UHFFFAOYSA-N 342.421 0.240 10 10 ECCE O=C(NCCc1ccc(O)c(O)c1)[C@@H]1COCCN1CC(F)F 274619801 PUGZDYYWBXHQLT-NSHDSACASA-N 330.331 0.722 10 10 ECCE CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C[C@@H]1NC(=O)NC1=O 270580786 ADOZZKUPNKHLQF-AWEZNQCLSA-N 346.387 0.080 10 10 ECCE COC(=O)/C=C/c1ccc(N2CCN[C@@H](C(N)=O)C2)c([N+](=O)[O-])c1 298196098 QSNYXPYOFTULAF-JOAKQRRISA-N 334.332 0.045 10 10 ECCE COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCCNC3=O)C2)cc1 853633991 ZUDNVWGCWBFZNH-WFASDCNBSA-N 332.404 0.852 10 10 ECCE Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCCc2ccc(N)cc2)n1 858611075 UZMMTGJEKKTSAN-UHFFFAOYSA-N 325.350 0.432 10 10 ECCE C[C@H](CCNC(=O)c1cc(NS(C)(=O)=O)ccc1O)[S@](C)=O 763233206 OJCWAFOTUPCJSV-BTKVJGODSA-N 348.446 0.651 10 10 ECCE CCN(CCS(C)(=O)=O)C(=O)C(=O)N1Cc2cccc(O)c2C1 1329843452 KPWIPHKPWGYNSD-UHFFFAOYSA-N 340.401 0.128 10 10 ECCE COc1ccc(N2CC[C@H](NC(=O)C(=O)N[C@@H]3[C@H]4COC[C@H]43)C2)cc1 1328007439 IOEGEEZQCPLFNY-DANNLKNASA-N 345.399 0.151 10 10 ECCE Nc1ccc(CCNC(=O)C(=O)NC[C@@H]2CN(C3CC3)C(=O)O2)cc1 1346519445 XGEHKCPTPCXOPF-CQSZACIVSA-N 346.387 0.027 10 10 ECCE COc1ccc(CN[C@H]2C[C@H](NC(=O)CCNC(N)=O)C2)cc1C 1566813255 VPRLQIIIQXFZPJ-HDJSIYSDSA-N 334.420 0.799 10 10 ECCE C[C@H](C(=O)N(C)CC(=O)NCc1ccc(O)cc1O)n1cccn1 1570462430 SUEKYXDWRYGIQP-LLVKDONJSA-N 332.360 0.630 10 10 ECCE COCC(=O)N(C)C[C@H](C)NC(=O)c1cc(OC)nc(OC)c1 1572233199 MCEOMKFHHMBFTO-JTQLQIEISA-N 325.365 0.322 10 10 ECCE CNC(=O)[C@@H](C)N(C)CCN(C)C(=O)c1ccc(N=NC(N)=O)cc1 1699010479 BNTQQWYTKRCJTR-LLVKDONJSA-N 348.407 0.987 10 10 ECCE O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C=C(C(=O)O)C[C@H](O)[C@H]1O 117438675 MRDAXWGGWWDUKL-MLTSEQJVSA-N 336.296 0.159 10 10 ECCE CNCc1ccc(N2CCOC[C@@H]2[C@H](O)CO)c(Br)c1 2146332792 CTVODUFNZRKTRK-ZIAGYGMSSA-N 345.237 0.727 10 10 ECCE CN(CCN=[N+]=[N-])C(=O)[C@H](CCC(N)=O)NC(=O)OC(C)(C)C 1994926880 HDTGYAVLFGVFCO-VIFPVBQESA-N 328.373 0.914 10 10 ECCE Nc1ccc(OCC(=O)N2CC(CNC(=O)C(F)(F)F)C2)cc1 1999443316 SICXEVQYJJCOEQ-UHFFFAOYSA-N 331.294 0.785 10 10 ECCE C[C@H]1C[C@H](C(=O)O)CN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C1 868343378 ONDUDXYJZJBGMS-JQWIXIFHSA-N 332.356 0.804 10 10 ECCE COc1ccc(CN[C@@H](CO)CNC(=O)c2ccc(O)nn2)cc1C 1278040671 BZHOFHLDQVOPFI-CYBMUJFWSA-N 346.387 0.380 10 10 ECCE C[S@@](=O)CCN1CCN(C(=O)Cc2ccc(O)c(O)c2)CC1 1465320837 BIZDDOKXGCKPLK-JOCHJYFZSA-N 326.418 0.163 10 10 ECCE Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)NOCC(N)=O)cc1 1624150660 PUILKADOWHAISH-UHFFFAOYSA-N 329.356 0.982 10 10 ECCE NCc1ccc(N2CC3(CNC(=O)N3)C2)c(F)c1Br 2121214860 UZNWVPIHMKBXPS-UHFFFAOYSA-N 329.173 0.919 10 10 ECCE Cc1cc(O)n2ncc(C(=O)N3CCO[C@@]4(CCO[C@@H]4C)C3)c2n1 2063988792 BUHBBXYVXQWBRT-BZNIZROVSA-N 332.360 0.763 10 10 ECCE NCc1cc(F)c(N2C[C@@H]3C[C@H]2[C@H](O)[C@@H]3O)cc1Br 2329331702 DNOOIUSPMRVPCQ-VGYUKGMSSA-N 331.185 0.977 10 10 ECCE CN(C)c1ccc(CNC(=O)C(=O)N2CC[C@@H]3COC[C@H]3C2)cc1 826707559 VHRXLEUYESXVRY-HUUCEWRRSA-N 331.416 0.864 10 10 ECCE CN(C)c1ccc(CNC(=O)C(=O)NCCC2(CN)CC2)cc1F 846333131 YWHZMXFEHKPVJV-UHFFFAOYSA-N 336.411 0.753 10 10 ECCE COC(=O)[C@@H]1CCCN(CC(=O)NCc2ccc(N(C)C)cc2)C1=O 929406248 WYXXUXNVAUZASQ-OAHLLOKOSA-N 347.415 0.780 10 10 ECCE COc1ccc(N(C)Cc2cc(=O)n3nc(N)[nH]c3n2)c(OC)c1 856730512 CTGOKEPRVDXDLZ-UHFFFAOYSA-N 330.348 0.653 10 10 ECCE COc1ccc(CNC[C@H](O)CNC(=O)c2cnn(C)n2)cc1C 1320286444 KWUCGIQEBUUAFS-ZDUSSCGKSA-N 333.392 0.013 10 10 ECCE O=C(C(=O)N(CCO)C1CCOCC1)N1Cc2cccc(O)c2C1 1261864162 XQXNUUOGMUKZDI-UHFFFAOYSA-N 334.372 0.234 10 10 ECCE Cn1cnnc1[C@H]1CCCN1C(=O)C(=O)N1Cc2cccc(O)c2C1 1351907831 RZQWSDQWFUQEQG-CYBMUJFWSA-N 341.371 0.727 10 10 ECCE CS(=O)(=O)N[C@H]1CCC[C@@H]1CNC(=O)Cc1ccc(O)c(O)c1 1545777316 XMUQPZZIFZVYII-NEPJUHHUSA-N 342.417 0.474 10 10 ECCE COc1ccc(CN[C@H](CO)CNC(=O)CN2CCCC2)cc1C 1486061871 RTQGOKBKLJXZKY-INIZCTEOSA-N 335.448 0.666 10 10 ECCE CN(C)S(=O)(=O)CCNC(=O)c1ccc(N=NC(N)=O)cc1 1637002400 DMAZCZHKWZLLRO-UHFFFAOYSA-N 327.366 0.470 10 10 ECCE COC[C@@H](O)CNC[C@@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 1569041047 YMJRWJBUCKOOMQ-MFKMUULPSA-N 337.380 0.564 10 10 ECCE NC(=O)[C@H]1C[C@@H](N)CN(Cc2cc(Br)cc(F)c2O)C1 2151023672 WMEZYXJEKOAZME-WCBMZHEXSA-N 346.200 0.928 10 10 ECCE CC(C)(C)OC(=O)N[C@H](CO)CNC(=O)COc1ccc(N)cc1 2011516737 MZWCEBIPMLSPHB-LBPRGKRZSA-N 339.392 0.649 10 10 ECCE C[C@H](O)c1ccc(N2CCNC(=O)[C@@H]2C(N)=O)c(Br)c1 2184131742 MDNSJDSAKQNOFT-CPCISQLKSA-N 342.193 0.293 10 10 ECCE C[C@@H]1CO[C@@H](COc2nnc(=N)[nH]n2)CN1C(=O)OC(C)(C)C 2210650678 YDFQYFZASPWRHJ-RKDXNWHRSA-N 326.357 0.082 10 10 ECCE CCN(CCN=[N+]=[N-])C(=O)[C@@H]1[C@H](O)[C@@H](O)CN1C(=O)OC(C)(C)C 2300531984 OKYAPGYOSVOPAK-GARJFASQSA-N 343.384 0.486 10 10 ECCE Cc1cccc(N2C(=O)NC(=O)/C(=C\Nn3cnnc3)C2=O)c1C 108749904 HPAFVSZFXUYVIG-IZZDOVSWSA-N 326.316 0.605 10 10 ECCE O=C1Nc2cc(N3C[C@@H](O)C[C@H]3CO)c(Br)cc2[C@@H]1O 2360319575 ZAULUXZEMDBWHK-WSFZALMZSA-N 343.177 0.367 10 10 ECCE CN(C)c1ccc(CNC(=O)C(=O)N2CCC(CN)CC2)cc1F 842147521 GBALYIDZTFQVOE-UHFFFAOYSA-N 336.411 0.705 10 10 ECCE O=C(NCc1ccc(N2CCOCC2)cc1)N1CCn2nncc2C1 847296274 ZTGRFOADVLKFGL-UHFFFAOYSA-N 342.403 0.840 10 10 ECCE O=C(CCc1nn[nH]n1)NCc1ccc(N2CCOCC2)c(F)c1 864931112 JHBIEHUJTWPVPU-UHFFFAOYSA-N 334.355 0.424 10 10 ECCE NC(=O)CN1CCN(Cc2c(O)cccc2Br)CC1 707165461 CJICRDMXWQJNMI-UHFFFAOYSA-N 328.210 0.758 10 10 ECCE COc1ccc(CN[C@@H](C)CN(C)C(=O)[C@@H]2CNC(=O)N2)cc1C 1277920591 AIOXGROOXNRSSE-JSGCOSHPSA-N 334.420 0.622 10 10 ECCE O=C(NCCN1CCC2(C1)OCCO2)NCc1c(O)cccc1F 1527871200 PSJBQRYDWQMVLI-UHFFFAOYSA-N 339.367 0.779 10 10 ECCE C[C@H]1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)C[C@@H]1O 1466509892 HFAQKLZUVRHFFV-ZANVPECISA-N 328.390 0.607 10 10 ECCE COc1cc(C(=O)N[C@H](C)CN(C)C(=O)C(F)F)cc(OC)n1 1738786456 JKNUGGOGLNWZEL-MRVPVSSYSA-N 331.319 0.941 10 10 ECCE CC(C)(C)OC(=O)N[C@@H](C(=O)NCCN=[N+]=[N-])C1CS(=O)(=O)C1 1991846206 XCYSJIKBEWMTHK-SECBINFHSA-N 347.397 0.351 10 10 ECCE O=S1(=O)C[C@H](O)[C@@H](NCc2cc(Br)ccc2O)C1 2057712003 HPUXQNICYXABTK-ONGXEEELSA-N 336.207 0.402 10 10 ECCE COc1ccc(Br)c(CN(C)CC2(O)CNC2)c1O 2271701826 JOVCHBIZNNHRPH-UHFFFAOYSA-N 331.210 0.929 10 10 ECCE COc1cccc(O)c1CN1CCCN(S(=O)(=O)N(C)C)CC1 811516736 VAIGLTPCFVBCSZ-UHFFFAOYSA-N 343.449 0.715 10 10 ECCE Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C[C@@H]1NC(=O)NC1=O 839918505 AGTUFCCPVDHDOO-FZMZJTMJSA-N 332.404 0.706 10 10 ECCE NCCCNC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 851662114 VOQKZNIRAPTXLD-UHFFFAOYSA-N 340.449 0.069 10 10 ECCE COc1ccc(N2CC[C@H](NC(=O)C(=O)NC[C@@H](N)C3CC3)C2)cc1 851687958 MNQFNLUXCCAZLW-XJKSGUPXSA-N 346.431 0.244 10 10 ECCE CCOC(=O)c1cnn2c(O)cc(CN3CC[C@@H]4CN(C)C[C@H]43)nc12 794929959 PPWJLHMTAWKZNJ-BXUZGUMPSA-N 345.403 0.748 10 10 ECCE COC(=O)C1=NO[C@]2(CCN(C(=O)c3ccc(C)c(O)c3O)C2)C1 1302629968 COSRRRPYLWTCSE-MRXNPFEDSA-N 334.328 0.940 10 10 ECCE COCCO[C@H]1C[C@@H](CO)CN(C(=O)Cc2ccc(O)c(O)c2)C1 1467651424 IAMYIMBXSWQCSR-KGLIPLIRSA-N 339.388 0.513 10 10 ECCE COc1ccc(CNC[C@@H](O)CNC(=O)C[C@H]2CCN(C)C2)cc1C 1732660889 MJKUVNFJIFUTAJ-IAGOWNOFSA-N 349.475 0.912 10 10 ECCE C[C@H](N)c1ccc(N2C[C@H](O)[C@H](O)[C@@H]2CO)cc1Br 2136334296 ZURHPOWYGSOZOQ-GIMBAOAISA-N 331.210 0.372 10 10 ECCE COCC1(O)CN(c2cc3c(cc2Br)[C@H](N)C(=O)N3)C1 384124126 JXWSZFZDOUAAMT-NSHDSACASA-N 342.193 0.599 10 10 ECCE O=C1N=C(N2CCN(CCO)CC2)SC1=Cc1ccccc1O 2293715988 IGFDLRQFNXTZKU-UHFFFAOYSA-N 333.413 0.972 10 10 ECCE Cc1ccc(C(=O)N2CCC(CNS(C)(=O)=O)CC2)c(O)c1O 286978003 NXVMGEFXDWKJMX-UHFFFAOYSA-N 342.417 0.808 10 10 ECCE CC[C@@H](COC)NC(=O)C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 826840673 YHGYDFMNMGEQMB-UONOGXRCSA-N 349.431 0.931 10 10 ECCE COc1ccc(N2CCN(C(=O)CCOC3CNC3)CC2)cc1F 831147166 UZFKYGCDCHUAFW-UHFFFAOYSA-N 337.395 0.861 10 10 ECCE CC[C@@H](O)CC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 855396442 IBOPNOQGGWWZME-OAHLLOKOSA-N 340.445 0.699 10 10 ECCE Cc1cc(CC(=O)NC(C(N)=O)C(N)=O)c(C)n1-c1ccccc1 1517099123 AEHHGMCGGRMFCO-UHFFFAOYSA-N 328.372 0.092 10 10 ECCE COc1cc(C(=O)N[C@@H](C)CN(C)C(=O)c2ccon2)cc(OC)n1 1735174502 PMNKCHNZCYFWQV-JTQLQIEISA-N 348.359 0.977 10 10 ECCE CN[C@H](C)c1ccc(N2C[C@H](O)[C@@H](O)[C@@H]2CO)cc1Br 2201032262 FMNWNFZDOPDGHM-AIUZOBBOSA-N 345.237 0.632 10 10 ECCE Cc1cccc(N2C(=O)NC(=O)C(=CNn3cnnc3)C2=O)c1C 2297534516 HPAFVSZFXUYVIG-UHFFFAOYSA-N 326.316 0.605 10 10 ECCE Cn1cc(/C=C\C(=O)N2C[C@H](CO)c3ccccc32)c(=O)n(C)c1=O 492801438 BYKRHMUPMQJAAC-MEJMFZKBSA-N 341.367 0.220 10 10 ECCE CN(C)c1ccc2c(c1)OCCN2CC(=O)N1CCC[C@@H](C(N)=O)C1 181130722 WSWWDSPNACTECC-CYBMUJFWSA-N 346.431 0.675 10 10 ECCE Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@@H](C)Cn1cncn1 803916543 QCGYCXIOLLRNQB-ZDUSSCGKSA-N 344.419 0.474 10 10 ECCE C[C@@H]1OCC[C@H]1S(=O)(=O)NC[C@H](N)c1ccc(N(C)C)cc1 842786160 UMHHJRWLZOEWFJ-TUKIKUTGSA-N 327.450 0.849 10 10 ECCE CCN1C[C@@H](S(=O)(=O)NCc2cccc(OC)c2O)CC1=O 866841078 SWEFVZMFQLASHG-NSHDSACASA-N 328.390 0.441 10 10 ECCE CN(C)c1ccc(CNC(=O)CN2CCC[C@@H](CO)[C@H]2CO)cc1 879363200 PSGLIFIQDBLFRD-DOTOQJQBSA-N 335.448 0.434 10 10 ECCE COCCCOC1CN(C(=O)C(=O)NCCc2ccc(N)cc2)C1 1331512458 GGFNZBNVTLCXIT-UHFFFAOYSA-N 335.404 0.191 10 10 ECCE COc1ccc(N2CCC(NC(=O)C3=NO[C@H](CN)C3)CC2)cc1 1261643986 MRVBOZGEBXNINT-HNNXBMFYSA-N 332.404 0.884 10 10 ECCE CC(C)(C)OC(=O)NOCCNC(=O)c1cc(O)c(O)c(O)c1 1988130100 HDMQHQUPUBIDTF-UHFFFAOYSA-N 328.321 0.990 10 10 ECCE O=C(Nc1cc(O)c(O)c(O)c1)C(=O)Nc1cc(O)c(O)c(O)c1 2033812823 RCVWKECDMLVJCZ-UHFFFAOYSA-N 336.256 0.497 10 10 ECCE COC(=O)C1(COC(=O)c2cc(NS(C)(=O)=O)ccc2O)CC1 837466752 WTJHUOPUKRZVIC-UHFFFAOYSA-N 343.357 0.874 10 10 ECCE COc1ccc(N2CC[C@H](NC(=O)NCCCOCCO)C2)cc1 854299081 KRBJLPWQQLYRLF-AWEZNQCLSA-N 337.420 0.972 10 10 ECCE COc1ccc(N2CCC(NC(=O)CN3CCOCC3=O)CC2)cc1 790627393 OGRCEPAPMLNZDR-UHFFFAOYSA-N 347.415 0.639 10 10 ECCE COc1ccc(CNC[C@@H](O)CN(C)C(=O)c2[nH]nnc2C)cc1C 1284438522 NDUASDRIULNPQX-CQSZACIVSA-N 347.419 0.653 10 10 ECCE CC[C@@H](OC)C(=O)NC[C@H](C)NC(=O)c1cc(OC)nc(OC)c1 1704012421 DNUJSVMPDMCBRF-CMPLNLGQSA-N 339.392 0.758 10 10 ECCE CS(=O)(=O)Nc1ccc(O)c(C(=O)N[C@@]23CCCN(CC2)C3)c1 1636245002 FKLYVAYUNBZQJC-HNNXBMFYSA-N 339.417 0.732 10 10 ECCE Cc1c(C(=O)NCc2cccc(O)c2O)nnn1-c1ccn(C)n1 1651175515 AUPKMFUSZDFUDV-UHFFFAOYSA-N 328.332 0.650 10 10 ECCE C[C@H](NC(=O)NC1CN(S(=O)(=O)N(C)C)C1)c1ccccc1O 1684312123 MNKPWEGXGVSWIA-JTQLQIEISA-N 342.421 0.243 10 10 ECCE CC(C)(C)OC(=O)NCC1(C(=O)C(=O)C[C@H]2C[C@H](N)C2)COC1 1987696533 LHFHDQVIRKKDTQ-XYPYZODXSA-N 326.393 0.793 10 10 ECCE C[C@@H](N)c1ccc(N2CC3(C2)OC[C@H](O)[C@@H]3O)c(Br)c1 2183626527 IZZJLZRNZRVZMN-JCOFBHIZSA-N 343.221 0.780 10 10 ECCE COc1ccc(N2CCN(c3c(NC[C@H](C)O)c(=O)c3=O)CC2)cc1 504750922 ORIVJAYOPFPCKW-LBPRGKRZSA-N 345.399 0.411 10 10 ECCE O=C(NCc1ccc(N2CCC(O)CC2)cc1)N[C@H]1CCCNC1=O 823523258 BLFWZPZSWPWWPW-INIZCTEOSA-N 346.431 0.726 10 10 ECCE CN(C)c1ccc(CNC(=O)NC[C@]2(CO)COCCN2C)cc1 902912793 WBAXZXGSTFGRLZ-KRWDZBQOSA-N 336.436 0.245 10 10 ECCE CN1C[C@@H](C(=O)NCc2cccc(Br)c2O)NC1=O 834475795 DFSQDOPDOJYRJY-VIFPVBQESA-N 328.166 0.795 10 10 ECCE Nc1ccc(NC(=O)C(=O)N2CCCC[C@@H]2CN2CCOCC2)cc1 841102958 DNYAVEDFQVKTIZ-MRXNPFEDSA-N 346.431 0.921 10 10 ECCE C[C@H](N)[C@H](C)NC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 841723822 ZXIPVRCJFYQAOC-YDHLFZDLSA-N 347.463 0.923 10 10 ECCE COc1ccc(N2CC[C@H](NC(=O)[C@@H]3CN4CCCN3CC4)C2)cc1 855233573 ILOBGQNRWATSBJ-YJBOKZPZSA-N 344.459 0.780 10 10 ECCE COc1cc(NC(=O)c2cc(NS(C)(=O)=O)ccc2O)nn1C 775075095 DIHAPNJYJYQBBC-UHFFFAOYSA-N 340.361 0.758 10 10 ECCE C[C@H](NC(=O)NC[C@@H](C)S(N)(=O)=O)c1ccc(N(C)C)cc1 799975889 SQPHRUMRPJTVTE-MNOVXSKESA-N 328.438 0.790 10 10 ECCE CN1CCCc2cc(CNC(=O)C(=O)N3C[C@@H]4C[C@]4(CO)C3)ccc21 1321996293 CTSGWAGCFFZNAX-HNAYVOBHSA-N 343.427 0.526 10 10 ECCE COc1ccc(CN[C@H](CO)CNC(=O)[C@H]2CCCN2C)cc1C 1278053510 HIEBHMFXJFEZFS-JKSUJKDBSA-N 335.448 0.665 10 10 ECCE CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H](NC(=O)C1CC1)[C@H](C)O 1623574662 WKYDZKIFIQCGMB-HZMBPMFUSA-N 341.404 0.770 10 10 ECCE COC[C@@](C)(O)C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 1634974302 NRGNQYDWAWIUMZ-GOSISDBHSA-N 349.431 0.402 10 10 ECCE CN1CCN(N/C=C2\C(=O)N(Cc3ccco3)C(=O)N=C2O)CC1 2595290 OPGOBZRFYGGDFD-XFXZXTDPSA-N 333.348 0.334 10 10 ECCE Nc1ccc(-n2nnc(C(=O)N(CCO)Cc3ccccc3)n2)cc1 1857879060 SXMGIBUJQNQTKU-UHFFFAOYSA-N 338.371 0.879 10 10 ECCE C[C@H]1CO[C@@H](COc2nnc(=N)[nH]n2)CN1C(=O)OC(C)(C)C 2210650676 YDFQYFZASPWRHJ-DTWKUNHWSA-N 326.357 0.082 10 10 ECCE COC(=O)CC[C@H](N)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 827725419 IDHQWPWTAFNHQS-CJNGLKHVSA-N 349.431 0.981 10 10 ECCE NCCCNC(=O)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 842222233 GDHPPOISOYTBIC-CQSZACIVSA-N 335.404 0.365 10 10 ECCE COc1cccc(CNC(=O)NCCC2CS(=O)(=O)C2)c1O 1320750890 QQTGSRWGYRWJHO-UHFFFAOYSA-N 328.390 0.635 10 10 ECCE O=C(C(=O)N1CC[C@H](N2CCCC2=O)C1)N1Cc2cccc(O)c2C1 1332035955 HQMXJDSXIDOZPY-ZDUSSCGKSA-N 343.383 0.458 10 10 ECCE O=C(Cn1ccc(O)nc1=O)NCc1ccc2cccnc2c1O 1638570183 VMJJRPAPNGHJPI-UHFFFAOYSA-N 326.312 0.519 10 10 ECCE CCN(CCNCc1ccc(OC)c(C)c1)C(=O)[C@H]1CNC(=O)N1 1568770540 GXWOWYDKFKHYOS-CQSZACIVSA-N 334.420 0.623 10 10 ECCE O=C(NC[C@H](O)C(=O)OCc1ccccc1)c1cccc(O)c1O 1643480647 STZJOUIWPDWJQH-AWEZNQCLSA-N 331.324 0.932 10 10 ECCE COCCO[C@H]1C[C@@H](CO)CN(C(=O)c2c(F)ccc(O)c2O)C1 1648750339 QRCHTPFFKUYTDA-MNOVXSKESA-N 343.351 0.723 10 10 ECCE NC(=O)CSC1=NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)C(=O)N1 5671369 KFKGXAFLPUIISG-UHFFFAOYSA-N 334.313 0.209 10 10 ECCE CN(C(=O)C1=C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C1)c1cnn(C)c1 2022935878 RCYRTNUPRIYZSQ-CHWSQXEVSA-N 336.392 0.967 10 10 ECCE COc1ccc(CNC[C@@H](O)CN(C)C(=O)C2(C(N)=O)CC2)cc1C 1332566368 OEJGDGHRXAJZMF-CQSZACIVSA-N 349.431 0.178 10 10 ECCE COc1ccc(CNC/C=C\CNC(=O)[C@@H]2COC(=O)N2)cc1C 1268534014 BFUJNKYHFIYVKR-NQHOJNORSA-N 333.388 0.874 10 10 ECCE COc1cccc(CNC(=O)[C@@]2(OC)CCS(=O)(=O)C2)c1O 1631542335 HTHLSFYXNGWSOF-CQSZACIVSA-N 329.374 0.221 10 10 ECCE CNCc1ccc(N2CCN(CCO)C(=O)C2)cc1Br 2171077271 UDMSVKXECJELJA-UHFFFAOYSA-N 342.237 0.809 10 10 ECCE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H](COc2nnc(=N)[nH]n2)O1 2210643628 LPLPOGZSKVAHPR-IUCAKERBSA-N 326.357 0.082 10 10 ECCE N[C@H]1C(=O)Nc2cc(N3CC[C@@H](O)[C@@H](O)C3)c(Br)cc21 2356888179 CSVDBAWFYALENV-GRYCIOLGSA-N 342.193 0.333 10 10 ECCE CS(=O)(=O)Nc1ccc(NS(=O)(=O)c2cn[nH]c2N)cc1 40332216 TYPZFBBFCDUKNP-UHFFFAOYSA-N 331.379 0.164 10 10 ECCE COc1ccc(N2CC[C@@H](NS(=O)(=O)c3ccnn3C)C2)cc1 849416856 XXUWQFGQIRGPAQ-GFCCVEGCSA-N 336.417 0.986 10 10 ECCE COc1ccc(N2CCN(S(=O)(=O)C3CNC3)CC2)cc1F 923625046 MNICOSOYZUADEE-UHFFFAOYSA-N 329.397 0.258 10 10 ECCE CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)N1Cc2cccc(O)c2C1 871203325 XPTVCNXOTSNGLW-CQSZACIVSA-N 331.372 0.362 10 10 ECCE NC(=O)N=Nc1ccc(C(=O)N[C@H]2C[C@H](NCCOCCO)C2)cc1 1317092839 JFZNICIRYZTFLZ-HDJSIYSDSA-N 349.391 0.708 10 10 ECCE CC(C)(O)CN1CCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)CC1 1331960095 NXPZADJLAYCRGG-UHFFFAOYSA-N 347.415 0.150 10 10 ECCE CS(=O)(=O)C1(C(=O)N2Cc3cccc(O)c3C2)CCOCC1 1330663386 QPTIGNCFPAHTFY-UHFFFAOYSA-N 325.386 0.828 10 10 ECCE CCNC(=O)CNCCN(C)C(=O)c1ccc(N=NC(N)=O)cc1 1691631297 XUWAPFPEYQSFRF-UHFFFAOYSA-N 334.380 0.647 10 10 ECCE COc1ccc(N2CCN(C[C@@H](O)CN3CCCC3=O)CC2)cc1 171883046 FHBOZBJCUXUGGO-MRXNPFEDSA-N 333.432 0.801 10 10 ECCE C[C@H](O)[C@H]1CN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)CCO1 839673572 LDGFECAFWCJYLF-WMLDXEAASA-N 335.448 0.793 10 10 ECCE C[C@H](NC(=O)[C@H]1CCN(C)S1(=O)=O)c1ccc(N(C)C)cc1 843581317 RPQZKENXLMNBLV-SMDDNHRTSA-N 325.434 0.964 10 10 ECCE COC(=O)CCNC(=O)CCNC(=O)NCc1cc(C)ccc1O 858902963 XULLLBXAAUIOGN-UHFFFAOYSA-N 337.376 0.569 10 10 ECCE CN(CCCN[C@@H]1CCNC1=O)C(=O)c1ccc(N=NC(N)=O)cc1 1322853552 BAQAETJBYFGZHE-CYBMUJFWSA-N 346.391 0.789 10 10 ECCE COc1ccc(CNC[C@H](O)CNC(=O)Cc2cc[nH]n2)cc1C 1699042659 VDDRVEZNUWCEGH-HNNXBMFYSA-N 332.404 0.536 10 10 ECCE CC(C)(C)OC(=O)NC[C@@H](O)CNCc1ccc(O)c(O)c1O 1985775116 CTRWGSSMNPQMOV-JTQLQIEISA-N 328.365 0.779 10 10 ECCE C[C@@H](N)CS(=O)(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1 2152941321 QSRWAEVADISAIZ-SSDOTTSWSA-N 341.842 0.800 10 10 ECCE CNCc1ccc(N2CC(NS(C)(=O)=O)C2)cc1Br 703163693 MRSZNYBCKSSEFA-UHFFFAOYSA-N 348.266 0.906 10 10 ECCE CNCc1ccc(N2C[C@H]3C(=O)NC(=O)[C@@H]3C2)cc1Br 386751323 GKEATDAIGICBTP-GHMZBOCLSA-N 338.205 0.877 10 10 ECCE CC(C)(C)OC(=O)N[C@H]1CCCN(CCOc2nnc(=N)[nH]n2)C1 2213788054 SCSILRLTZAYMJS-JTQLQIEISA-N 339.400 0.047 10 10 ECCE CS(=O)(=O)N1CC[C@H](COC(=O)/C=C\c2ccc(O)c(O)c2)C1 801291986 XVHRBJKGADTWJU-FHMRSRPSSA-N 341.385 0.936 10 10 ECCE CC(=O)C(=O)COC(=O)C1(NC(=O)c2c(C)nn(C)c2C)CCCC1 808544750 VBKJXIBQUFRLAE-UHFFFAOYSA-N 349.387 0.781 10 10 ECCE CCOc1cccc(CNCC[C@H]2CNCCS2(=O)=O)c1O 903967306 BZWPVINUQRLGGZ-ZDUSSCGKSA-N 328.434 0.657 10 10 ECCE CN(C)c1ccc(CNC(=O)N2CCN3C[C@H](O)C[C@H]3C2)cc1F 847303574 VVNMDMZGEJOAMQ-UONOGXRCSA-N 336.411 0.852 10 10 ECCE COc1ccc(N2CC[C@@H](NC(=O)CN3C(=O)CN(C)C3=O)C2)cc1 855229519 OQWHMSJYTWFUPA-GFCCVEGCSA-N 346.387 0.284 10 10 ECCE COC[C@@H](CCO)NC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 853772557 JAILCJSZZBYPRR-ZIAGYGMSSA-N 337.420 0.971 10 10 ECCE COc1ccc(N2CC[C@H](NC(=O)CC[C@H]3NC(=O)NC3=O)C2)cc1 855229462 NPXNTDJCXIGVES-SMDDNHRTSA-N 346.387 0.378 10 10 ECCE Cc1c(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)nnn1C 881850626 AAIICLPILIYSPL-UHFFFAOYSA-N 328.420 0.805 10 10 ECCE COC(=O)CCN1CCN(C(=O)Cc2ccc(O)c(O)c2)C[C@@H]1C 1446950391 HBDUOAIGWDLTAD-LBPRGKRZSA-N 336.388 0.736 10 10 ECCE O=C(/C=C/c1ccc(O)c(O)c1)NCC(=O)NCCN1CCCCC1 1556608540 SHYUTFNYXPGFGH-FNORWQNLSA-N 347.415 0.829 10 10 ECCE CNS(=O)(=O)CC(=O)NC[C@H](C)NCc1ccc(OC)c(C)c1 1567080261 KYNSYYAXMJTNAS-LBPRGKRZSA-N 343.449 0.147 10 10 ECCE Cc1ccc(C(=O)NCC2(S(=O)(=O)N(C)C)CC2)c(O)c1O 1645526686 KFZPZFHFRGXVQE-UHFFFAOYSA-N 328.390 0.560 10 10 ECCE COc1ccc(CN[C@H](C)CNC(=O)c2nnc(O)nc2O)cc1C 1662273341 RUUAILSOEWLEBT-SNVBAGLBSA-N 347.375 0.508 10 10 ECCE C[C@@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)NCc1cnn(C)n1 1690653005 ZGWSODPFEFFRKN-JTQLQIEISA-N 344.379 0.886 10 10 ECCE O=C(Cc1ccccc1)NCCNC(=O)c1cc(O)c(O)c(O)c1 169838837 SOMRMDDROIWQQH-UHFFFAOYSA-N 330.340 0.892 10 10 ECCE CCOC(=O)C1CCN(C(=O)c2nnn(-c3ccc(N)cc3)n2)CC1 1857878518 FRVUGJGHFJKNRG-UHFFFAOYSA-N 344.375 0.660 10 10 ECCE Cc1c(OC[C@@H](O)CO)c(=O)ccn1CCCOc1ccc(N)cc1 1857919779 XIPMCFLCZMQFRM-HNNXBMFYSA-N 348.399 0.940 10 10 ECCE CCN(CC)c1ccc(CNC(=O)CNS(C)(=O)=O)cc1F 66841159 XRNHTBMQBZCRAM-UHFFFAOYSA-N 331.413 0.837 10 10 ECCE COc1ccc(N2CCN(C[C@H](O)CN[C@@H]3[C@H]4COC[C@H]43)CC2)cc1 819277843 HLPQCNKJADWEGT-YSHGAJCASA-N 347.459 0.413 10 10 ECCE O=S(=O)(NCc1ccc(N2CCOCC2)cc1)[C@H]1CCCNC1 923593841 DEWHFMNPIJCOGK-INIZCTEOSA-N 339.461 0.695 10 10 ECCE Cc1cnc(S(C)(=O)=O)nc1C(=O)NCc1ccc(O)c(O)c1 1150377026 GFHGJKRYOYVXEM-UHFFFAOYSA-N 337.357 0.530 10 10 ECCE Cn1c(O)nc(N2CC[C@H](NC(=O)c3cc(O)cs3)C2)cc1=O 1179237271 WCKRZHCLSCSCPJ-QMMMGPOBSA-N 336.373 0.262 10 10 ECCE COc1ccc(CNC[C@@H](O)CNC(=O)c2cnc(O)n2C)cc1C 1272496327 NEEQMUPYDKKVPJ-CYBMUJFWSA-N 348.403 0.323 10 10 ECCE COc1ccc(O)c([C@H](C)NC(=O)NCc2cn(C)c(=O)nc2O)c1 1471623232 SLGOZQVXVYWJMX-VIFPVBQESA-N 348.359 0.761 10 10 ECCE O=C(Cc1ccc(O)c(O)c1)N1CCN(C(=O)N2CCOCC2)CC1 1540698695 WRQMHBZHTSDVLJ-UHFFFAOYSA-N 349.387 0.237 10 10 ECCE C[C@H](C(=O)NCc1cc(O)ccc1O)S(=O)(=O)C1CCOCC1 1637125976 JOWNUTWKBHBPTD-SNVBAGLBSA-N 343.401 0.696 10 10 ECCE CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](O)[C@H]1C(=O)NCCN=[N+]=[N-] 1986298888 UMMMWUCXXAEBLB-GUBZILKMSA-N 329.357 0.144 10 10 ECCE Cn1cc(/C=C\C(=O)N2C[C@H](N)Cc3ccccc32)c(=O)n(C)c1=O 493256593 NWWQLNJQQFWXNP-WBTMPAOCSA-N 340.383 0.014 10 10 ECCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N(CCO)Cc1ccccc1 304724631 UAYSPXCSSZUNQQ-HNNXBMFYSA-N 330.384 0.989 10 10 ECCE CC(=O)N1CCN(C(=O)C(=O)NCc2ccc(N(C)C)cc2)[C@H](C)C1 283520578 OQCPDXRUZSERIA-CYBMUJFWSA-N 346.431 0.448 10 10 ECCE CCCN(Cc1ccccc1O)C(=O)C(=O)NCCCn1ccnn1 806998660 OMMKQQCAGMUBBT-UHFFFAOYSA-N 345.403 0.929 10 10 ECCE CS(=O)(=O)Nc1ccc(O)c(C(=O)OC[C@H]2COCCO2)c1 837467189 ZVHIJKUZRATYCG-SNVBAGLBSA-N 331.346 0.336 10 10 ECCE CS(=O)(=O)NC[C@@H]1CCC[C@H]1NC(=O)c1c(F)ccc(O)c1O 831334215 VFBRONAWVBIYNN-WCBMZHEXSA-N 346.380 0.685 10 10 ECCE CCn1nccc1S(=O)(=O)NC[C@@H](N)c1ccc(N(C)C)cc1 842785530 SZHUTOMVUXHROQ-CQSZACIVSA-N 337.449 0.947 10 10 ECCE O=C(COC(=O)[C@@]12C[C@H]3C[C@@H](C(=O)N1)[C@H]2C3)c1ccc(O)c(O)c1 845362528 FBFZWIOLINXCKX-NAVAONRNSA-N 331.324 0.738 10 10 ECCE COc1ccc(N2CC[C@H](CNC(=O)CCc3nn[nH]n3)C2)cc1 868955409 KNNOBRSEDOLKDH-GFCCVEGCSA-N 330.392 0.784 10 10 ECCE CCCc1nnc(SCC(=O)NCc2cc(O)ccc2O)n1N 1303225204 BGLDBDPEGCOASN-UHFFFAOYSA-N 337.405 0.764 10 10 ECCE CN1CCN(c2ccc(CN3CC[C@H](NC(N)=O)C3)cc2F)CC1 1319729189 MKCFCIDYXIXCAP-AWEZNQCLSA-N 335.427 0.820 10 10 ECCE O=C(C(=O)N1CCO[C@H]([C@@H]2CCCO2)C1)N1Cc2cccc(O)c2C1 1335609496 LTTNROVLYSQFIW-HOTGVXAUSA-N 346.383 0.641 10 10 ECCE CC1=C(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)S(=O)(=O)CCO1 1638342543 PKRKUBMZBRIRNK-SECBINFHSA-N 341.385 0.822 10 10 ECCE COc1ccc(CNC/C=C/CNC(=O)Cn2ncnn2)cc1C 1732846490 AIIJSSIDTHRKER-ONEGZZNKSA-N 330.392 0.452 10 10 ECCE CN(C)CCC(=O)NCCN(C)C(=O)c1ccc(N=NC(N)=O)cc1 1688372601 BNLUJVPTSATIIA-UHFFFAOYSA-N 348.407 0.989 10 10 ECCE O=S1(=O)C[C@@H](NCc2c(O)cccc2Br)[C@@H](O)C1 2057710768 YBRJACHIMBMBFM-KOLCDFICSA-N 336.207 0.402 10 10 ECCE NCc1ccc(N2CC[C@@](O)(CO)[C@@H](O)C2)c(Br)c1 2225730218 SDUICWDMGHJNPI-QWHCGFSZSA-N 331.210 0.202 10 10 ECCE CN1CCN(C(=O)C=Cc2ccc(N3CCOCC3)cc2)CC1=O 2297627570 JAADHMXQOCLRCZ-UHFFFAOYSA-N 329.400 0.837 10 10 ECCE Cc1ccc(CNC(=O)[C@H](N)CC(N)=O)c(O)c1Br 2352949057 XWNQFYCRQNTUOJ-MRVPVSSYSA-N 330.182 0.282 10 10 ECCE COCCN1C(=O)/C(=C/Nc2c(C)nn(C)c2C)C(=O)NC1=S 105255332 RHHRODZSJVYTQH-JXMROGBWSA-N 337.405 0.222 10 10 ECCE CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccc(N)cc3)C(=O)N2[C@H]1C(=O)O 4102188 STWKKPXWUYGWTR-MBNYWOFBSA-N 349.412 0.443 10 10 ECCE biogenic,in-vitro CS(=O)(=O)Nc1ccc(O)c(C(=O)NC[C@@H]2CCC[C@H]2O)c1 267948854 SSBILSNLMBYYQP-JOYOIKCWSA-N 328.390 0.655 10 10 ECCE CC(=O)C(=O)COC(=O)[C@]12COC[C@H]1CN(C(=O)OC(C)(C)C)C2 845262817 XGDVGBGEDRZFHR-BDJLRTHQSA-N 341.360 0.571 10 10 ECCE COc1ccc(N2CCCN(C(=O)C3=NO[C@H](CN)C3)CC2)cc1 852861892 MCFIWRZRCAJMGV-HNNXBMFYSA-N 332.404 0.838 10 10 ECCE COc1ccc(N2CC[C@@H](NC(=O)C(=O)NCCNC3CC3)C2)cc1 851688316 WRDCOIHLDBTXOM-CQSZACIVSA-N 346.431 0.258 10 10 ECCE O=C(CN1CCC(=O)NC1=O)NCc1ccc2cccnc2c1O 862027767 DZUXCRRORXGKOZ-UHFFFAOYSA-N 328.328 0.499 10 10 ECCE CCN(Cc1ccc(N(C)C)cc1)C(=O)CNS(=O)(=O)NC 773886345 WKWQOZNYBIQUFB-UHFFFAOYSA-N 328.438 0.155 10 10 ECCE Cc1noc(CCNC(=O)C(=O)NCc2ccc(N(C)C)cc2)n1 1321365489 YNYKLZWMMZTYDS-UHFFFAOYSA-N 331.376 0.419 10 10 ECCE Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C(=O)N1CC=C[C@@H]1CO 1333879645 DUEYCMQKAFVCBZ-WMLDXEAASA-N 345.443 0.868 10 10 ECCE COc1ccc(-n2nnnc2CN[C@H](CNC(C)=O)C2CC2)cc1 1266393037 POMZOPVGTPOAHI-OAHLLOKOSA-N 330.392 0.675 10 10 ECCE O=C(CO)NCCC(=O)Nc1c(-c2ccccn2)nc2ccccn12 1298830004 OJKXNPMVNOLSHX-UHFFFAOYSA-N 339.355 0.833 10 10 ECCE CC(=O)N[C@H]1[C@H](N=[N+]=[N-])[C@H](O)[C@@H](CO)O[C@H]1OCc1ccccc1 1615948435 KSACWSAOWIMDGY-GZBLMMOJSA-N 336.348 0.465 10 10 ECCE CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H]1CC(=O)N(CCOC)C1 1623574687 XEGNUYINLDKLPX-GFCCVEGCSA-N 341.404 0.989 10 10 ECCE CC(C)(C)OC(=O)N[C@H](CC(N)=O)C(=O)NCc1ccccc1O 269733386 VNADVZFTEGVJOA-LLVKDONJSA-N 337.376 0.777 10 10 ECCE CC(C)(C)OC(=O)NCC(CO)(CO)NCc1ccc(F)cc1O 2247104650 UTPJREJWCUSKTC-UHFFFAOYSA-N 344.383 0.869 10 10 ECCE Nc1ccc(N(C(=O)C(=O)N(CCO)CCO)c2ccccc2)cc1 170348170 KPAIJKSKHNMYSE-UHFFFAOYSA-N 343.383 0.747 10 10 ECCE O=C1Nc2cc(N3C[C@@H](O)C[C@H]3CO)c(Br)cc2[C@H]1O 2360319574 ZAULUXZEMDBWHK-DJOAAKCGSA-N 343.177 0.367 10 10 ECCE CO[C@@H]1C=C[C@@](CNS(=O)(=O)CCOc2ccccc2)(OC)O1 70876795 VAINRVUOLXILTL-LSDHHAIUSA-N 343.401 0.886 10 10 ECCE COc1ccc(N(C)Cc2cc(=O)n3nc(N)[nH]c3n2)cc1OC 856722484 SXDIXPPBMDCAJB-UHFFFAOYSA-N 330.348 0.653 10 10 ECCE Cc1ccn(C[C@](C)(O)C(=O)NCc2ccc(O)cc2O)c(=O)c1 1142534010 WKWQMCZBUVYPPM-KRWDZBQOSA-N 332.356 0.635 10 10 ECCE Cc1cc(CN2CCOC[C@H]2CNS(C)(=O)=O)ccc1N(C)C 1331672856 MNFUCSRIGBQDKY-OAHLLOKOSA-N 341.477 0.811 10 10 ECCE COc1ccc(-n2nnnc2CNC[C@@H](C)NC(=O)[C@H](C)OC)cc1 1274693392 JQMDWQXJZWRBJS-NEPJUHHUSA-N 348.407 0.300 10 10 ECCE COc1ccc(CN[C@@H](CO)CNC(=O)CN2CCCC2=O)cc1C 1507176454 YMAOROUTZJHFKK-OAHLLOKOSA-N 349.431 0.193 10 10 ECCE NS(=O)(=O)c1ccc(C(=O)NCc2ccc(O)cc2O)s1 1469160324 QRADRAVCKPTEIQ-UHFFFAOYSA-N 328.371 0.737 10 10 ECCE COc1ccc(CN[C@H](CO)CNC(=O)c2csnn2)cc1C 1486019947 KLWKUHVMXQUDEY-LBPRGKRZSA-N 336.417 0.736 10 10 ECCE CNS(=O)(=O)c1cccc(C(=O)NCc2cc(O)ccc2O)c1 1633595252 OAUYPMDISVWNJM-UHFFFAOYSA-N 336.369 0.936 10 10 ECCE Cc1nc(C(=O)NCc2cccc(Cl)c2O)nn1-c1nc[nH]n1 1647826794 JTBXDWGMHRTKPW-UHFFFAOYSA-N 333.739 0.983 10 10 ECCE COC(=O)c1ncoc1COCC(=O)NCc1ccc(O)cc1O 1570462024 AGUGSYQHYBBAHL-UHFFFAOYSA-N 336.300 0.705 10 10 ECCE CNS(=O)(=O)CCCNC(=O)N[C@H](C)c1cc(OC)ccc1O 1683272508 QAJMEIXKGHEUDF-SNVBAGLBSA-N 345.421 0.700 10 10 ECCE N[C@@H]1C(=O)Nc2cc(N(CCO)C3COC3)c(Br)cc21 1915544828 FYIBNZUAGYXSGX-LBPRGKRZSA-N 342.193 0.599 10 10 ECCE CNCc1ccc(N2C[C@@H](O)[C@@H](O)[C@@H]2CO)cc1Br 2332923613 VVGGQNDBNUTKRT-XQQFMLRXSA-N 331.210 0.071 10 10 ECCE CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N1C[C@H](N)C(C)(C)C1 903715884 PAQQJXPZLUPYJM-HNNXBMFYSA-N 332.448 0.907 10 10 ECCE COc1ccc(N2CCN(CCNC(=O)NCCCN)CC2)cc1 841750550 RXKNIGQVNXUFGM-UHFFFAOYSA-N 335.452 0.465 10 10 ECCE Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@H]1CC[C@@H](C)NC1 861749977 CEABFHWIRNBABW-HIFRSBDPSA-N 332.448 0.934 10 10 ECCE O=C(C(=O)N1CCO[C@@]2(CCOC2)C1)N1Cc2cccc(O)c2C1 1329438808 ZVTGTVNKKBOKMQ-KRWDZBQOSA-N 332.356 0.252 10 10 ECCE CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cnn(C)n1 1567306352 LAPDJGOWLPJNBB-JTQLQIEISA-N 334.332 0.131 10 10 ECCE O=C(CSc1ccc2nncn2n1)NCCc1ccc(O)c(O)c1 1860381004 PUPLCZSUXIGMMM-UHFFFAOYSA-N 345.384 0.987 10 10 ECCE NC(=O)[C@@H]1C[C@H](NC(=O)C(F)(F)F)CN(Cc2ccc(N)cc2)C1 2044602448 OKEVUGWNTICMHC-PWSUYJOCSA-N 344.337 0.623 10 10 ECCE C[C@@H](CO)N(C)C(=O)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 803299734 NATRWLXYALNODF-UONOGXRCSA-N 349.431 0.540 10 10 ECCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@]1(C)CCS(=O)(=O)N1 1154027211 RWEDFPNFYHZEIV-BMIGLBTASA-N 342.417 0.617 10 10 ECCE O=C(C(=O)N1CCN2C(=O)OCC[C@@H]2C1)N1Cc2cccc(O)c2C1 1332056235 GIXQTXWWJWZTKM-GFCCVEGCSA-N 345.355 0.288 10 10 ECCE Cc1cn2nnc(C(=O)N[C@@H](C)Cc3ccc(O)c(O)c3)c2c(O)n1 1447559309 CLFVEAGLMQKPKS-QMMMGPOBSA-N 343.343 0.911 10 10 ECCE CSCC[C@H](NC(=O)Cc1ccc(O)c(O)c1)C(=O)N(C)C 1468629349 GEZAJAVBQIXFEM-NSHDSACASA-N 326.418 0.966 10 10 ECCE COc1ccc(CNC[C@H](O)CNC(=O)c2cn(C)cn2)cc1C 1732637855 JSRDCCYKFKWLPT-AWEZNQCLSA-N 332.404 0.618 10 10 ECCE O=C(COCC(=O)NCc1ccc(O)cc1O)NCc1cccnc1 1570462168 HIFHRVWTGZTZOJ-UHFFFAOYSA-N 345.355 0.442 10 10 ECCE CSc1ncc(CNS(=O)(=O)N(C)CCC(=O)O)s1 2269089943 HYDUHCAFRGLKDD-UHFFFAOYSA-N 325.437 0.606 10 10 ECCE Cc1ccc(CN(C)CC(=O)NCCN)c(O)c1Br 2352654739 HWNXGCWRWHBPHY-UHFFFAOYSA-N 330.226 0.970 10 10 ECCE CCN1CCN(c2ccc(CNC(=O)[C@@H]3CNC(=O)C3)cc2F)CC1 106702623 GPTKIBCTMFYYDS-AWEZNQCLSA-N 348.422 0.720 10 10 ECCE N[C@H]1C(=O)Nc2cc(N3CC([C@H](O)CO)C3)c(Br)cc21 2361913502 NVZJNLXVYYHUMQ-VXGBXAGGSA-N 342.193 0.190 10 10 ECCE O=C1NC[C@@H]2CN(Cc3cc(Cl)c(F)cc3O)CCN2C1=O 294472333 ZNUVUBXRVYJFHI-SECBINFHSA-N 327.743 0.327 10 10 ECCE C[C@@H](O)[C@H]1CN(C(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)CCO1 840977391 HXHSDVTWVCJLCQ-CZUORRHYSA-N 349.431 0.319 10 10 ECCE CN(C)c1ccc(CNC(=O)C(=O)NCc2cnn(CCF)c2)cc1 929237643 LELVKAGJKYVPJW-UHFFFAOYSA-N 347.394 0.851 10 10 ECCE COc1ccc(N(CC(=O)O)CC(=O)NCCc2cn(C)cn2)cc1 853010830 NNHSXLYVFQIREA-UHFFFAOYSA-N 346.387 0.679 10 10 ECCE COC(=O)[C@@]12CCOC[C@@H]1CN(Cc1cc3c(cc1O)OC[C@H]3O)C2 794683828 RCLPXRYATRGJSN-WBHUJUFNSA-N 349.383 0.830 10 10 ECCE C[C@H](C(=O)N(C)C)N(C)CCNC(=O)c1ccc(N=NC(N)=O)cc1 1317472961 MWUOIHGAZKBYHW-LLVKDONJSA-N 348.407 0.987 10 10 ECCE CCOc1ccc(N2CCN(C(=O)C[C@@H]3NC(=O)NC3=O)CC2)cc1 1324858924 JWUMPZXGPPWEQJ-AWEZNQCLSA-N 346.387 0.332 10 10 ECCE CN1CCN(c2ccc(CN3CC4(CNC(=O)O4)C3)cc2F)CC1 1345228465 FRVGILGZRBTNFU-UHFFFAOYSA-N 334.395 0.872 10 10 ECCE C[S@@](=O)CCN1CCN(C(=O)c2c(F)ccc(O)c2O)CC1 1472518432 NTSXFPMFJRLBNK-JOCHJYFZSA-N 330.381 0.373 10 10 ECCE C[C@@H](C(N)=O)N(C)CCN(C)C(=O)c1ccc(N=NC(N)=O)cc1 1568507128 VVXJVGUAETYOPC-JTQLQIEISA-N 334.380 0.727 10 10 ECCE COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)CS(C)(=O)=O 1632701866 PHYZUNCTTMIHKA-UHFFFAOYSA-N 349.792 0.592 10 10 ECCE CNC(=O)NCCC(=O)N[C@H](C)CNCc1ccc(OC)c(C)c1 1699360860 IXEMPIURWMPLFX-CYBMUJFWSA-N 336.436 0.917 10 10 ECCE O=C(Cn1nc2c(cc1=O)CCCC2)NCCc1ccc(O)c(O)c1 1860206634 MUYWXKXCRWAFNU-UHFFFAOYSA-N 343.383 0.892 10 10 ECCE O=C1COc2cc([N+](=O)[O-])c(N3CCN4C(=O)CC[C@H]4C3)cc2N1 765655408 KQTHLALSZLRAEL-VIFPVBQESA-N 332.316 0.737 10 10 ECCE CC[C@@H](CNC(=O)c1nnn(C)n1)NCc1ccc(OC)c(C)c1 1318562742 RWNWPFPGHGKHPE-ZDUSSCGKSA-N 332.408 0.825 10 10 ECCE CN1CCN(c2ccc(CN3CCn4c(O)nnc4C3)cc2F)CC1 1320741481 GTCRHIWPMNXBAD-UHFFFAOYSA-N 346.410 0.890 10 10 ECCE COc1ccc(N2CCC(NC(=O)NCc3nc(N)n[nH]3)CC2)cc1 1254332146 LXDYIBLZFJMZIH-UHFFFAOYSA-N 345.407 0.864 10 10 ECCE NS(=O)(=O)c1ccsc1C(=O)NCc1cc(O)ccc1O 1471662110 OMHPDLGWGRSVHH-UHFFFAOYSA-N 328.371 0.737 10 10 ECCE OCc1ccc(N2CC3(C2)OC[C@H](O)[C@@H]3O)c(Br)c1 2127264367 OEWACGFLHFNXES-RYUDHWBXSA-N 330.178 0.252 10 10 ECCE O=C(c1cc(O)c(O)c(O)c1)N1CCN(C(=O)c2ccccn2)CC1 169824454 QVWHUJGWISCDQM-UHFFFAOYSA-N 343.339 0.797 10 10 ECCE CC[C@@H]1C(=O)N(CC)CCN1C(=O)c1cnn2c(O)cc(C)nc12 2062634946 SZTIMPZWIFKCKX-GFCCVEGCSA-N 331.376 0.826 10 10 ECCE Cn1c(Br)nnc1CNC(=O)COc1ccc(N)cc1 2178009370 NDFYYVUATTVWFB-UHFFFAOYSA-N 340.181 0.855 10 10 ECCE [N-]=[N+]=NCCNC1(C(N)=O)[C@H]2COC[C@H]1CN(Cc1ccccc1)C2 2048815781 RTYUOARSAUQTTL-HUUCEWRRSA-N 344.419 0.889 10 10 ECCE CN[C@H](C)c1ccc(N2C[C@H](O)[C@@H](O)[C@H]2CO)cc1Br 2201032264 FMNWNFZDOPDGHM-NGSVMEPUSA-N 345.237 0.632 10 10 ECCE O=S1(=O)CC[C@H](S(=O)(=O)Nc2ccc(O)c(Cl)c2)C1 2089614101 PGEVNDVMDQFQFI-QMMMGPOBSA-N 325.795 0.974 10 10 ECCE CC(C)(C)OC(=O)NCC(CO)(CO)NCc1ccc(N)cc1 2243013767 FMCBYMRMCLETSV-UHFFFAOYSA-N 325.409 0.607 10 10 ECCE COc1ccc(N2CC[C@H](CNC(=O)N3CC(=O)N(C)C3)C2)cc1 823726410 TUGOABCMWIPTQY-CYBMUJFWSA-N 332.404 0.963 10 10 ECCE NCc1ccc(N2CC3(C2)OC[C@H](O)[C@H]3O)cc1Br 2127249410 DVWZENOPAAMOIG-NWDGAFQWSA-N 329.194 0.219 10 10 ECCE CC(C)(C)OC(=O)N[C@H]1COC[C@H]1C(=O)C(=O)C[C@H]1C[C@H](N)C1 1980370405 QRJZQIFSHPSWTF-KKOKHZNYSA-N 326.393 0.792 10 10 ECCE CC(C)(C)OC(=O)NC[C@H](O)C(=O)NCCOc1ccc(N)cc1 2022820116 BBLPPPOBHDJOLS-ZDUSSCGKSA-N 339.392 0.649 10 10 ECCE Cc1cc(O)n2ncc(C(=O)N3C[C@H](N4CCOCC4)C[C@H]3C)c2n1 2062867837 OHZNYIWNVIMHOM-CHWSQXEVSA-N 345.403 0.679 10 10 ECCE O=C(O)[C@H]1[C@H](O)[C@H](O)CN1Cc1c(O)cccc1Br 2332873231 GBFBQQFOIVMMAY-GMTAPVOTSA-N 332.150 0.145 10 10 ECCE Cn1cc(N2CCN(Cc3cc([N+](=O)[O-])ccc3O)CC2=O)cn1 177446057 GETQTEVDCIRFIJ-UHFFFAOYSA-N 331.332 0.883 10 10 ECCE COc1ccc(N2CCN(C(=O)CN3C[C@@H](O)C4(CC4)C3)CC2)cc1 372293424 DLZHWNGLHRFLLL-QGZVFWFLSA-N 345.443 0.801 10 10 ECCE CNC(=O)C1(NCc2ccc(N3CCN(C)CC3)cc2)CCOCC1 895883370 AIZNTUVVPFMVLR-UHFFFAOYSA-N 346.475 0.823 10 10 ECCE CN(Cc1ccccc1O)C(=O)C(=O)N1CC[C@H](O)C(F)(F)C1 1330353294 NYYPXVDRRTTXLF-LBPRGKRZSA-N 328.315 0.579 10 10 ECCE C[C@H]1C(=O)NCCN1c1cc2c(cc1Br)[C@H](N)C(=O)N2 92775874 CMOVNFAPOKTIJH-KGFZYKRKSA-N 339.193 0.726 10 10 ECCE C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cc(O)ccc1O 1455354350 MMHXIKVKPPHXME-RNCFNFMXSA-N 340.376 0.988 10 10 ECCE O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)NCc1cc(O)ccc1O 1558175023 YFILVPHERYQZTH-VUKUWZNJSA-N 342.351 0.521 10 10 ECCE COc1ccc(CNC[C@@H](O)CNC(=O)c2cncn2C)cc1C 1716094167 YTHJEADRYGDGJV-CQSZACIVSA-N 332.404 0.618 10 10 ECCE O=C(CNC(=O)OCc1ccccc1)NN1C(=O)CSC1=S 1923838527 FOMBEMNFTGCJAV-UHFFFAOYSA-N 339.398 0.804 10 10 ECCE CN(CCN=[N+]=[N-])C(=O)[C@]1(O)CCN(C(=O)OC(C)(C)C)C[C@H]1O 2020688901 RYMMGBOAYRUOCY-YGRLFVJLSA-N 343.384 0.488 10 10 ECCE CCOC(=O)C1CCN(/C=C2/C(=O)NC(=S)N(CC)C2=O)CC1 33316460 PQFFTNWUDRLYRF-LUAWRHEFSA-N 339.417 0.409 10 10 ECCE CC(=O)N1CCN(c2ccc(CNC(=O)[C@@H]3CCCNC3)cc2)CC1 832173277 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10 10 ECCE CNC(=O)[C@@H]1CCCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C1 1118942621 NRNDKCKCVPIKBB-GFCCVEGCSA-N 331.372 0.219 10 10 ECCE COc1ccc(CN[C@@H](CO)CNC(=O)[C@]2(C)CCNC2=O)cc1C 1507232586 MIGKCKQRIRLISI-RDTXWAMCSA-N 349.431 0.097 10 10 ECCE COc1ccc(CNC(=O)c2cc3c(=O)[nH]c(C)cn3n2)c(O)c1 1467470183 GNZOAILNKRTZPL-UHFFFAOYSA-N 328.328 0.975 10 10 ECCE COC[C@@H]1CCCN1C[C@@H]1OC[C@H](NCc2ccccc2O)[C@H]1O 1615260525 QRXDMSSJCXUHLI-UOVPBQLFSA-N 336.432 0.721 10 10 ECCE COc1ccc(CN[C@@H](C)CNC(=O)C[C@@H]2CC(=O)NC2=O)cc1C 1714311863 OOOLZFKQAJNSPG-GXTWGEPZSA-N 347.415 0.651 10 10 ECCE C[C@H](NC(=O)C1CCN(S(N)(=O)=O)CC1)c1ccccc1O 1632250451 UIIJULVXPNRWJT-JTQLQIEISA-N 327.406 0.485 10 10 ECCE O=C1N=C(O)/C(=C/NN2CCOCC2)C(=O)N1Cc1ccc(F)cc1 34236734 VQWPWPGKNRMDCP-LCYFTJDESA-N 348.334 0.965 10 10 ECCE Cc1cc(C(=O)N2CCOC[C@@H]2C(N)=O)c(C)n1-c1ccccn1 91783196 BEKHLTQIHXXXIL-CQSZACIVSA-N 328.372 0.815 10 10 ECCE O=C1COc2cc([N+](=O)[O-])c(N3CCO[C@]4(CCOC4)C3)cc2N1 364910143 QFGMKNULVHQDAH-OAHLLOKOSA-N 335.316 0.921 10 10 ECCE C[C@H](CN)S(=O)(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1 722233670 SUINUDUSWSKNSD-SSDOTTSWSA-N 341.842 0.800 10 10 ECCE COc1ccc(O)c([C@H](C)NC(=O)[C@H]2CCN(C)S2(=O)=O)c1 843833262 ZWPPESANALODAL-TVQRCGJNSA-N 328.390 0.612 10 10 ECCE COc1ccc(N2CC[C@@H](NC(=O)NC[C@@](C)(CO)OC)C2)cc1 854297730 VRZKENUJEUIOES-DYVFJYSZSA-N 337.420 0.971 10 10 ECCE CS(=O)(=O)N1CCC[C@@H]1C(=O)NCc1ccc2cccnc2c1O 862028885 NUFOWKWSQNBLQH-CYBMUJFWSA-N 349.412 0.981 10 10 ECCE Cc1cnc(S(C)(=O)=O)nc1C(=O)NCc1cccc(O)c1O 1303194470 COVGMEAXJYUDGC-UHFFFAOYSA-N 337.357 0.530 10 10 ECCE O=C(C(=O)N1CC(F)(F)C[C@@H]1CO)N1Cc2cccc(O)c2C1 1332056091 CCEFVJHXSAIZSC-SNVBAGLBSA-N 326.299 0.463 10 10 ECCE COc1ccc(CNC2(CNC(=O)c3nnn(C)n3)CC2)cc1C 1277140476 JXVHCOUYCKITKB-UHFFFAOYSA-N 330.392 0.579 10 10 ECCE O=C(NC[C@@]12COCCN1C(=O)OC2)c1c(F)ccc(O)c1O 1611626300 DKDFALLVONFBRT-AWEZNQCLSA-N 326.280 0.188 10 10 ECCE CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cn(C(F)(F)CO)nn1 1627029283 XZLLVAZPVKRWAC-UHFFFAOYSA-N 347.318 0.941 10 10 ECCE COc1ccc(-n2nnnc2CNC[C@H](NC(C)=O)C2CC2)cc1 1723272159 CTZVPEBJFRFRNR-HNNXBMFYSA-N 330.392 0.675 10 10 ECCE COc1ccc(CN[C@H](CO)CNC(=O)[C@H]2CCC(=O)NC2)cc1C 1571433842 SKMJRAWQCABTBM-GJZGRUSLSA-N 349.431 0.097 10 10 ECCE COc1ccc(CNC[C@H](O)CN(C)C(=O)c2cn(C)cn2)cc1C 1677070431 PKUGPPKJOPVHAH-HNNXBMFYSA-N 346.431 0.960 10 10 ECCE CN(C(=O)C1=C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C1)c1cnn(C)c1 2022935879 RCYRTNUPRIYZSQ-OLZOCXBDSA-N 336.392 0.967 10 10 ECCE C[C@H](N)c1ccc(N2CC[C@](O)(CO)[C@H](O)C2)cc1Br 2234098000 QOUCYYMAIHJPQF-FZZIBODNSA-N 345.237 0.763 10 10 ECCE COC(=O)[C@H]1CN(c2cc(OC)c(OC)cc2[N+](=O)[O-])CCO1 391209621 USMKRWJWSWNAMW-CYBMUJFWSA-N 326.305 0.990 10 10 ECCE CCOC(=O)c1cnn2c(O)cc(CN3C[C@H](O)CC[C@H]3C)nc12 817287866 GGTJLNGPEDSUGI-ZYHUDNBSSA-N 334.376 0.957 10 10 ECCE O=C(/C=C\c1ccc(O)c(O)c1)NCC12COCCN1CCOC2 913303443 UXEHJLAYLCSJPV-RQOWECAXSA-N 334.372 0.328 10 10 ECCE COc1ccc(N(C)CCN(C)C[C@@H](O)CN2CCOCC2)cc1 844400196 WZCXRTJWXVMCTI-QGZVFWFLSA-N 337.464 0.756 10 10 ECCE CC[C@H](CNC(=O)C(=O)NCc1ccc(N(C)C)cc1C)C(=O)O 927942682 GRSDRUPUXMEATJ-GFCCVEGCSA-N 335.404 0.904 10 10 ECCE CNC(=O)CN1CCN(c2ccc(CO)c(Br)c2)CC1 700792329 LVOXYHJSOJPDNN-UHFFFAOYSA-N 342.237 0.809 10 10 ECCE CN(Cc1ccccc1O)C(=O)C(=O)N1C[C@H]2[C@H]3CC[C@@H](NC3)[C@H]2C1 1329240858 LBEZHZSJAGNGML-QCEMKRCNSA-N 343.427 0.807 10 10 ECCE CC1(C)CN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C[C@@H](CO)O1 1261866788 NEMIZZFIIPSKBK-LBPRGKRZSA-N 334.372 0.233 10 10 ECCE CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@H]1CCS(=O)(=O)N1 1540488269 LHJSGLAFYKTJFB-OAHLLOKOSA-N 337.445 0.937 10 10 ECCE COc1ccc(CNC[C@@H](O)CNC(=O)c2ccnc(C)n2)cc1C 1715615734 MSVSXJUOTPIDBL-OAHLLOKOSA-N 344.415 0.983 10 10 ECCE COc1ccc(CN[C@H](C)CNC(=O)C(=O)NCC(F)F)cc1C 1713320470 AHZHNMLJWZSQFC-LLVKDONJSA-N 343.374 0.979 10 10 ECCE CC(C)(C)OC(=O)N[C@H](CO)C(=O)NCc1cccc(O)c1O 1633515519 DIWBBNPXUKEAQE-SNVBAGLBSA-N 326.349 0.600 10 10 ECCE CN(C)CCNC(=O)C1CCN(C(=O)c2cccc(O)c2O)CC1 1630168462 UZQRHLVGLWKVDE-UHFFFAOYSA-N 335.404 0.628 10 10 ECCE Cn1nc(Br)c(=NS(=O)(=O)Cc2ccc(N)cc2)[nH]1 2343047912 ULJBGGQZGAYWAH-UHFFFAOYSA-N 346.210 0.524 10 10 ECCE C[C@H]1CNCC[C@H]1NC(=O)C(=O)NCc1ccc2c(c1)CCCN2C 842149801 FVKGEXVQKWTJPT-XJKSGUPXSA-N 344.459 0.799 10 10 ECCE COc1ccc(N2CC[C@@H](NS(=O)(=O)[C@H]3CCCNC3)C2)cc1 923656739 KAVSYAOHJXOQSZ-CJNGLKHVSA-N 339.461 0.945 10 10 ECCE C[C@@H](OC(=O)c1cccc(O)c1O)C(=O)N(C)CC(=O)NC1CC1 758571352 CZTIBNJLGSHNHG-SECBINFHSA-N 336.344 0.380 10 10 ECCE CNC(=O)C(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1 789707768 PWUMXPXMJYHSJU-UHFFFAOYSA-N 330.432 0.581 10 10 ECCE Cc1cn2c(n1)CN(C(=O)C(=O)NCc1ccc(N(C)C)cc1)CC2 785439539 QNQPRLSGISQWOE-UHFFFAOYSA-N 341.415 0.916 10 10 ECCE COC(=O)[C@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)c1cccc(O)c1O 790900804 ISCUGFBHAQNRFI-WFFHOREQSA-N 349.339 0.663 10 10 ECCE Cc1nn(C)cc1C1=NO[C@@H](C(=O)NCCc2ccc(O)c(O)c2)C1 1465981232 FQNKASSZBYGINW-MRXNPFEDSA-N 344.371 0.992 10 10 ECCE CN(C)CCN(C(=O)Cc1ccc(N)cc1)[C@H]1CCS(=O)(=O)C1 1866324212 NPLPZZQXIIIZPQ-HNNXBMFYSA-N 339.461 0.389 10 10 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C[C@@H](NC(=O)C(=O)NCC12CC(CN1)C2)c1ccc(N(C)C)cc1 851687041 YJLQEXINTZEHSU-WHENESEISA-N 330.432 0.798 10 10 ECCE COCCOC[C@@H]1CCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C1 1329467217 CZUOMQZIQKESGO-CYBMUJFWSA-N 348.399 0.746 10 10 ECCE CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc(N)ccn1 1556101938 KRXRHXXNKBMMBT-ZDUSSCGKSA-N 345.355 0.979 10 10 ECCE CS(=O)(=O)N1CC[C@@H](CNC(=O)c2c(F)ccc(O)c2O)C1 1558952717 KCHDEOGFMXRRDJ-QMMMGPOBSA-N 332.353 0.248 10 10 ECCE C[C@@H](NC(=O)/C=C/c1cn(C)c(=O)n(C)c1=O)c1ccccc1O 1642824067 DVPQBEQFQDCTNT-ANYFNZRUSA-N 329.356 0.680 10 10 ECCE CC(C)(O)[C@H](O)C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 1597003592 NAGRVSSAMBXGSW-UKRRQHHQSA-N 349.431 0.136 10 10 ECCE NCc1ccc(N2CC[C@@]3(C2)NC(=O)NC3=O)c(Br)c1 2170620880 CZELNEXLCLAEBF-ZDUSSCGKSA-N 339.193 0.696 10 10 ECCE CCN1C(=O)C(=Cc2cc3c(cc2[N+](=O)[O-])OCO3)C(=O)NC1=S 2297327204 VMADZIZBLHLIQX-UHFFFAOYSA-N 349.324 0.970 10 10 ECCE Cn1cc(/C=C\C(=O)N2C[C@@H](CO)c3ccccc32)c(=O)n(C)c1=O 492801439 BYKRHMUPMQJAAC-WSROAFLRSA-N 341.367 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CN(CC1(CO)CC1)C(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 288415765 CLIMZPXREMRSIU-UHFFFAOYSA-N 343.427 0.910 10 10 ECCE CN(C)C[C@@H]1CN(C(=O)C(=O)Nc2ccc(N)cc2)C[C@H]1CN(C)C 868263442 OHWDUIFJJVFPND-ZIAGYGMSSA-N 347.463 0.405 10 10 ECCE CCOCCS(=O)(=O)NCC(=O)N1Cc2cccc(O)c2C1 871202625 CSMQTGRBMDQTJW-UHFFFAOYSA-N 328.390 0.190 10 10 ECCE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C1CC2(C1)CS(=O)(=O)C2 1138152463 IFLXQEFYKXUXAJ-JTQLQIEISA-N 339.413 0.970 10 10 ECCE COC(=O)[C@H]1C[C@@H](N(C)C(=O)C(=O)N(C)Cc2ccccc2O)C1 1327795513 IQAGOIZGFLXUGJ-BETUJISGSA-N 334.372 0.761 10 10 ECCE COC(=O)[C@@]1(OC)CCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C1 1261868290 GIZFUCDEFPMFIC-QGZVFWFLSA-N 348.355 0.025 10 10 ECCE O=S1(=O)C[C@@H](NCc2cc(Cl)cc(Cl)c2O)[C@@H](O)C1 2121366609 ZJMQAZYWJFTKNM-ZJUUUORDSA-N 326.201 0.947 10 10 ECCE COc1ccc(CNC/C=C/CNC(=O)[C@H](C)NC(N)=O)cc1C 1483000841 LXNWZNZUZBVFAY-IHVVCDCBSA-N 334.420 0.822 10 10 ECCE O=C(NCCNC(=O)c1ccccc1O)c1cc(O)c(O)c(O)c1 169838922 XDDPLKAOTNKRBX-UHFFFAOYSA-N 332.312 0.669 10 10 ECCE O=C(CCn1nc2ccccn2c1=O)NCc1ccc(O)c(O)c1 159100899 BXTLZPMSJOBBHH-UHFFFAOYSA-N 328.328 0.614 10 10 ECCE Cn1nnc(Br)c1S(=O)(=O)N1CC[C@@H](N=[N+]=[N-])C1 1912150529 UYHUKCBYUAVAIQ-RXMQYKEDSA-N 336.175 0.651 10 10 ECCE CNC(=O)[C@H](C)N(C)c1cc2c(cc1Br)[C@H](N)C(=O)N2 1916822440 VSQYXSZPSSKNAI-KGFZYKRKSA-N 341.209 0.972 10 10 ECCE Cc1cc(O)n2ncc(C(=O)N3C[C@H](C)O[C@@]4(CCOC4)C3)c2n1 2065026843 QQFUHPGAYWFWJF-ZBEGNZNMSA-N 332.360 0.763 10 10 ECCE OCc1ccc(N2CCOC[C@@H]2[C@H](O)CO)cc1Br 2090128842 MVEBQFYPOAGEOT-CHWSQXEVSA-N 332.194 0.500 10 10 ECCE Cc1cc(N(C)C)ccc1CNS(=O)(=O)CCCS(C)(=O)=O 77392060 YQARLKDOBYHNCR-UHFFFAOYSA-N 348.490 0.915 10 10 ECCE COc1ccc(CNS(=O)(=O)C[C@H]2CN(C)CCO2)c(O)c1 867217748 PNVIATNTLCTZNA-CYBMUJFWSA-N 330.406 0.151 10 10 ECCE CS(=O)(=O)NCc1ccc(C(=O)NCc2cc(O)ccc2O)o1 1153884751 HENGMWHVLXVNBB-UHFFFAOYSA-N 340.357 0.670 10 10 ECCE [N-]=[N+]=NCCNS(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 703999718 MMLXXIWZRZFWPY-UHFFFAOYSA-N 337.361 0.902 10 10 ECCE COc1ccc(CNC[C@H](O)CN(C)C(=O)CNC(C)=O)cc1C 1332468837 FWAWUUBJXCEQBY-HNNXBMFYSA-N 337.420 0.049 10 10 ECCE NC(=O)c1ncn(CC(=O)NCc2cc(Cl)cc(Cl)c2O)n1 1450721221 MBUYOFNDPGBPDY-UHFFFAOYSA-N 344.158 0.706 10 10 ECCE O=C(Cc1ccc(O)c(O)c1)NN1C(=O)NC2(CCCCC2)C1=O 1463831742 WIRFLDSVDJFTLL-UHFFFAOYSA-N 333.344 0.926 10 10 ECCE CS(=O)(=O)N1CCCC[C@H]1C(=O)NCc1c(O)cccc1O 1635843298 KWTDGVKZLYXGDX-NSHDSACASA-N 328.390 0.528 10 10 ECCE O=C(/C=C/c1ccc(O)c(O)c1)OC1(C(=O)O)C[C@@H](O)C[C@H](O)C1 4098723 IQRPXVABWMLCMZ-LOMYTOQZSA-N 338.312 0.383 10 10 ECCE in-vitro N[C@H]1C(=O)Nc2cc(N3CCO[C@H](CO)C3)c(Br)cc21 167222547 FPRXVSKXDVYZDH-JVXZTZIISA-N 342.193 0.599 10 10 ECCE OCc1ccc(N2C[C@H](O)[C@@H](O)[C@@H](CO)C2)c(Br)c1 2273673938 JLOKUXRQEHUOIQ-ICCXJUOJSA-N 332.194 0.092 10 10 ECCE CN1C[C@@H](NC(=O)C(=O)NCc2ccc(N(C)C)cc2)CCC1=O 283395336 HJNRJQXZFOWAOV-ZDUSSCGKSA-N 332.404 0.106 10 10 ECCE CN(C)c1ccc(CNC(=O)C(=O)N2CCC3(CCN3)CC2)cc1F 817910600 BUCYOKHWYHHLHI-UHFFFAOYSA-N 348.422 0.862 10 10 ECCE CNC(=O)CN(C)c1cc2c(cc1Br)[C@H](NC)C(=O)N2 723177773 GNGMREPNPLQTBQ-LBPRGKRZSA-N 341.209 0.844 10 10 ECCE COc1ccc(N2CC[C@@H](NS(=O)(=O)c3cnn(C)c3)C2)cc1 849415483 AOPATGMJHPZLFF-GFCCVEGCSA-N 336.417 0.986 10 10 ECCE C[C@H](NC(=O)N[C@H]1CCNC1=O)c1ccc(N2CCOCC2)cc1 852012949 QAMKZJDZYYYRKY-WFASDCNBSA-N 332.404 0.772 10 10 ECCE COc1ccc(N2CC[C@H](NC(=O)N[C@H]3C[C@H](C(N)=O)C3)C2)cc1 858600020 SBUSBWXEXJAKDS-AVGNSLFASA-N 332.404 0.837 10 10 ECCE COc1ccc(CN[C@H](CO)CNC(=O)Cc2ncc[nH]2)cc1C 1283817992 VKGNRTFZBVQPCQ-AWEZNQCLSA-N 332.404 0.536 10 10 ECCE COC(=O)C1CCN(C(=O)CCN2C(=O)CSC2=S)CC1 1865765516 AEWYSJLFYGJVIL-UHFFFAOYSA-N 330.431 0.648 10 10 ECCE COc1ccc(CNC[C@@H](O)CNC(=O)c2cn(C)nc2C)cc1C 1568552800 PPAWSESFMBFWOR-OAHLLOKOSA-N 346.431 0.926 10 10 ECCE Cc1ccc2c(c1)OCCN2C(=O)/C=C/c1cn(C)c(=O)n(C)c1=O 151594197 RKVYLDCMYICXTK-FNORWQNLSA-N 341.367 0.831 10 10 ECCE CNC(=O)c1cncc(/C=C\C(=O)N2CCOc3c2c(C)nn3C)c1 492326612 DCQHUDIYEUXUMZ-PLNGDYQASA-N 341.371 0.922 10 10 ECCE CO[C@@H]1C=C[C@](CNC(=O)[C@@H](C)n2nc(C3CC3)ccc2=O)(OC)O1 585410791 FABOYANHFNBYII-PJQXDXOGSA-N 349.387 0.700 10 10 ECCE Cc1ccc2c(c1)N(C(=O)/C=C\c1cn(C)c(=O)n(C)c1=O)CC2 746883667 RMAUVKLZPBTPMU-SREVYHEPSA-N 325.368 0.995 10 10 ECCE O=C(NCc1ccc(N2CCCC2)cc1)C(=O)N[C@@H]1[C@H]2COC[C@H]21 1327620304 IGPQWLQZQUVZNK-ZSHCYNCHSA-N 329.400 0.664 10 10 ECCE CN1CCn2ncc(C(=O)NCc3ccccc3O)c2S1(=O)=O 1445972704 SMBKHGCMXKXZAS-UHFFFAOYSA-N 336.373 0.153 10 10 ECCE C[C@@H](O)[C@@H](NC(=O)C1CCCC1)C(=O)NCc1cc(O)ccc1O 1471661605 VCTBLURREZCYAD-MEBBXXQBSA-N 336.388 0.770 10 10 ECCE Cc1nc(C(=O)NCc2cc(Cl)ccc2O)nn1-c1nc[nH]n1 1628667125 PBVLQWJVKRIKCQ-UHFFFAOYSA-N 333.739 0.983 10 10 ECCE COc1ccc(-n2nnnc2CNCCN(C)C(=O)[C@@H]2C[C@@H]2C)cc1 1493465616 AOBMPSATZUAUKP-SWLSCSKDSA-N 344.419 0.875 10 10 ECCE COC[C@@H](O)CN(C)CCNC(=O)c1ccc(N=NC(N)=O)cc1 1492887020 DZJAYHYDTIPESF-ZDUSSCGKSA-N 337.380 0.518 10 10 ECCE COc1ccc(CNC[C@@H](O)CNC(=O)c2nccnc2N)cc1C 1568552407 INKFONXKRMWFQT-CYBMUJFWSA-N 345.403 0.256 10 10 ECCE CC(=O)N[C@@H]1[C@H](O)[C@@H]2OC(C)(C)OC[C@@H]2O[C@H]1OCCN=[N+]=[N-] 2037797773 RXBZMDAVXOKPHD-RNWYCLNJSA-N 330.341 0.055 10 10 ECCE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](O)[C@H]1C(=O)N1CC[C@@H](N=[N+]=[N-])C1 2022958817 HKFPNNGIOQJRQN-RCWTZXSCSA-N 341.368 0.239 10 10 ECCE CC[C@@H]1OC2(CCN(C(=O)Cc3ccc(O)c(O)c3)CC2)NC1=O 2065166783 DQZFTSZNJHBIBF-AWEZNQCLSA-N 334.372 0.884 10 10 ECCE COCCCNC(=O)C(=O)N1CCN(c2ccc(OC)cc2)CC1 243476050 NLWGTIACEBNVLA-UHFFFAOYSA-N 335.404 0.497 10 10 ECCE O=C1COc2cc([N+](=O)[O-])c(N3CC[C@@H]4COC(=O)N[C@H]4C3)cc2N1 374005154 DIHNQOGYDQWYIV-SCZZXKLOSA-N 348.315 0.860 10 10 ECCE COc1ccc(N2CCN(C(=O)COCCc3cnn[nH]3)CC2)cc1 842067295 LDIHKKASMWRIHQ-UHFFFAOYSA-N 345.403 0.721 10 10 ECCE CNCCOCCNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 861677341 SIUVACKZMJGCKJ-AWEZNQCLSA-N 336.436 0.809 10 10 ECCE Cc1nn[nH]c1C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 1178039096 MPPFKWMHDKEEPC-UHFFFAOYSA-N 342.403 0.745 10 10 ECCE CN(Cc1ccccc1O)C(=O)C(=O)NC[C@@H]1CN(C2CC2)C(=O)O1 1326809729 IKYUBAZLZZBFQA-CYBMUJFWSA-N 347.371 0.450 10 10 ECCE C[C@@H](CN(C)C(=O)c1ccc(N=NC(N)=O)cc1)NCC(=O)N(C)C 1331649023 RUGZHFJKSVHZRA-NSHDSACASA-N 348.407 0.987 10 10 ECCE COCc1cn(C[C@@H]2OC[C@@H](O)[C@H]2NCc2ccccc2O)nn1 1615735856 HWAPJMGQUNGYMQ-OWCLPIDISA-N 334.376 0.048 10 10 ECCE O=C(NCCNC(=O)c1cc[nH]n1)NCc1cc(Cl)ccc1O 1478292791 UHHSAJMQLUHMHT-UHFFFAOYSA-N 337.767 0.998 10 10 ECCE N[C@H]1C(=O)Nc2cc(N3CCOC[C@@H](O)C3)c(Br)cc21 399879088 SKRVWEZTWMBXJH-JVXZTZIISA-N 342.193 0.599 10 10 ECCE COc1cc(C=C2C(=O)NC(=O)N(C)C2=O)ccc1OCC(=O)O 2294134073 QVVXEIDVTHNWBY-UHFFFAOYSA-N 334.284 0.250 10 10 ECCE COCC(=O)NC1CN(C(=O)NCc2ccc3c(c2)CCCN3C)C1 185298088 JWJCGZWGDQRRPE-UHFFFAOYSA-N 346.431 0.725 10 10 ECCE Cn1cc(/C=C\C(=O)N2CC(=O)Nc3ccccc32)c(=O)n(C)c1=O 96931423 ZAEPVKMCOFEVQW-FPLPWBNLSA-N 340.339 0.083 10 10 ECCE C[C@H]1CN(C(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)CC(=O)N1C 297944014 VSINUCIOOHBAHQ-ZDUSSCGKSA-N 346.431 0.400 10 10 ECCE CN(C)c1ccc(CNC(=O)CC2(n3cnnn3)CCOCC2)cc1 854272075 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FLPIEPQJIXNUHK-JTQLQIEISA-N 343.384 0.536 10 10 ECCE O=C1CSC(=S)N1CCNS(=O)(=O)c1ccc(F)cc1 71558019 OUMGYGNPOGPORX-UHFFFAOYSA-N 334.419 0.964 10 10 ECCE COc1ccc(N2CCCN(C[C@H](O)CN3CCOCC3)CC2)cc1 76548154 ZMJIBABLMSHQCJ-SFHVURJKSA-N 349.475 0.900 10 10 ECCE CN1CCN(C[C@@H](O)CNCCCSc2nccs2)CC1 819063434 MXCTWGMGMUNTCL-ZDUSSCGKSA-N 330.523 0.823 10 10 ECCE COc1ccc(N2CC[C@@H](NC(=O)C(=O)N[C@H]3CCOC3)C2)cc1 827955198 AWEMJUVTDXRCBH-OLZOCXBDSA-N 333.388 0.295 10 10 ECCE O=C(/C=C\Cn1cncn1)NCc1ccc(N2CCOCC2)cc1 900337114 BBUFTCHVSVEPOR-UPHRSURJSA-N 327.388 0.987 10 10 ECCE C[C@@H](NC(=O)C(=O)NCC1(N)CCOCC1)c1ccc(N(C)C)cc1 861767312 NHZUYOZFLBMNPR-CYBMUJFWSA-N 348.447 0.554 10 10 ECCE CCOC(=O)c1cnn2c(O)cc(CN3CC[C@@H](C)[C@@H](O)C3)nc12 1616822844 BKRPSCJTIFHOQQ-MFKMUULPSA-N 334.376 0.814 10 10 ECCE CNCc1ccc(N2C[C@H](O)[C@H](O)[C@H]2CO)c(Br)c1 2136340712 JIFDCJOEIZOOHU-FRRDWIJNSA-N 331.210 0.071 10 10 ECCE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](O)[C@@H]1C(=O)NCCCN=[N+]=[N-] 1993362031 QFMYHZVFRBRYSI-AEJSXWLSSA-N 329.357 0.144 10 10 ECCE NCc1cc(F)c(N2CC[C@](O)(C(N)=O)C2)cc1Br 389409304 KQVGRCQIXASXPM-GFCCVEGCSA-N 332.173 0.473 10 10 ECCE O=C1CN(c2ccc(CO)cc2Br)C[C@H]2COCCN12 2185862857 DWCQZMJWFIMVFR-NSHDSACASA-N 341.205 0.989 10 10 ECCE CC(C)(C)OC(=O)N[C@@H](COc1nnc(=N)[nH]n1)CC(F)(F)F 2210652332 UUJOGLXPNCMIPW-ZCFIWIBFSA-N 338.290 0.904 10 10 ECCE CCOC(=O)[C@@H]1CCCN1S(=O)(=O)NCc1c(O)cccc1F 921452731 XRDSOEYUZNWBOW-LBPRGKRZSA-N 346.380 0.893 10 10 ECCE COC(=O)Cn1cc(CN[C@H]2CCN(c3ccc(OC)cc3)C2)nn1 850346813 KSJPQCPZXFIZHM-ZDUSSCGKSA-N 345.403 0.828 10 10 ECCE Cn1ccnc1CN1CCC[C@H](NC(=O)c2cccc(O)c2O)C1=O 790926992 UCUQEKCJEMLEPS-LBPRGKRZSA-N 344.371 0.752 10 10 ECCE NS(=O)(=O)c1ccc(O)c(C(=O)N2Cc3cccc(O)c3C2)c1 1152573690 NVCAYYLPSSFROB-UHFFFAOYSA-N 334.353 0.901 10 10 ECCE COC[C@@H]1C[C@@H](O)CN1C(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 1346372033 DLTHFAMJCYGQTB-UHOFOFEASA-N 349.431 0.538 10 10 ECCE COc1ccc(N2CCN(C(=O)N[C@@H]3CN(C)C[C@@H]3OC)CC2)cc1 1615689509 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349.412 0.816 10 10 ECCE O=C(N[C@@H](CO)C(=O)NCc1c(O)cccc1O)c1cccc(F)n1 1156885762 NRTNEWXTTSCKKH-NSHDSACASA-N 349.318 0.039 10 10 ECCE COc1ccc(N2CC[C@H](NC(=O)C(=O)NC3CCOCC3)C2)cc1 1327946819 OJWNAMKYZYWTEH-AWEZNQCLSA-N 347.415 0.685 10 10 ECCE O=C(C(=O)N1Cc2cccc(O)c2C1)N1CCN(C2CC2)C(=O)C1 1348607364 OIDFXARABGEPNA-UHFFFAOYSA-N 329.356 0.068 10 10 ECCE CN(Cc1ccc(N2CCCC2)cc1)C(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 1540487218 QWIVPPHQVRSYBM-KZNAEPCWSA-N 346.427 0.658 10 10 ECCE CC[C@H](CO)NC(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 1676125430 HQLCGQSMUVFGCA-OAHLLOKOSA-N 348.447 0.958 10 10 ECCE O=C(CCNCc1cc(Cl)ccc1O)N1CCN(CCO)CC1 1857864692 BDTSFYYQHMNLCA-UHFFFAOYSA-N 341.839 0.662 10 10 ECCE Cc1cc(O)n2ncc(C(=O)N3CC[C@H](N(C)C(=O)N(C)C)C3)c2n1 2062435335 BBHDVHSPPOYFQL-NSHDSACASA-N 346.391 0.571 10 10 ECCE Nc1ccc(OCCNS(=O)(=O)C2CC3(C2)OCCO3)cc1 2277967097 TYZBHXAMFVWKTK-UHFFFAOYSA-N 328.390 0.473 10 10 ECCE CCCCN1C(=O)C(=CNCCCn2ccnc2)C(=O)NC1=S 2296925514 KLOFXXRYQFIQFO-UHFFFAOYSA-N 335.433 0.790 10 10 ECCE O=C(NCc1cc(Br)ccc1O)NC[C@@H]1COCCN1 529386574 LUTRTNRTAUDQBG-LLVKDONJSA-N 344.209 0.942 10 10 ECCE COC(=O)[C@@](C)(O)CN1CCN(c2ccc(OC)c(F)c2)CC1 808732238 LTGSQAUGENOOQW-INIZCTEOSA-N 326.368 0.880 10 10 ECCE O=C(/C=C\c1ccc(N2CCOCC2)cc1)N[C@@]1(CO)CCOC1 588449363 JUJQZWDPTKWBGO-VDNIUXDYSA-N 332.400 0.804 10 10 ECCE CCOC(=O)c1cnn2c(O)cc(CN3CC[C@@H]4CC[C@@H](O)[C@@H]43)nc12 860130264 UIAWDIOCTRQOCT-PSOPSSQASA-N 346.387 0.957 10 10 ECCE O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)N1CC=C[C@H]1CO 1119541795 MWKSTWXHOMWGAA-INIZCTEOSA-N 327.384 0.438 10 10 ECCE CNC(=O)[C@H]1CN(C(=O)c2cc3cc(O)c(O)cc3s2)CCO1 897356013 KPXMCWDVDMOHGE-LLVKDONJSA-N 336.369 0.900 10 10 ECCE CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H](C)NS(=O)(=O)CC 1140198657 MYUDCQPFSSVDHT-SNVBAGLBSA-N 335.422 0.822 10 10 ECCE Cc1nnc(N2CCN(C(=O)Cc3ccc(O)c(O)c3)CC2)n1C 1164188639 XNDHZZQFCRISLH-UHFFFAOYSA-N 331.376 0.426 10 10 ECCE O=C(/C=C/c1ccc(O)c(O)c1)N1CCO[C@@H](CN2CCOCC2)C1 1330604104 QMCQQLSBTRHCNI-OMDKTOEGSA-N 348.399 0.671 10 10 ECCE N[C@@H]1CCC[C@@H]2CN(C(=O)C(=O)N3Cc4cccc(O)c4C3)C[C@H]21 1348715046 SRIUBQAJDGJGGL-UXIGCNINSA-N 329.400 0.820 10 10 ECCE OC[C@@H]1C[C@H](NCc2c(O)cccc2Br)[C@@H](O)[C@@H]1O 2121469894 JODCFNCKGLHQDM-AXVUBJCFSA-N 332.194 0.347 10 10 ECCE CNC(=O)NCC(=O)N(C)C[C@@H](C)NCc1ccc(OC)c(C)c1 1734325824 HJTUQUKZTLYJTE-CYBMUJFWSA-N 336.436 0.869 10 10 ECCE COc1cc(C(=O)N[C@H](CO)CNC(=O)[C@@H]2CC23CC3)cc(OC)n1 1738914699 RVXHBNSWANLIOH-RYUDHWBXSA-N 349.387 0.106 10 10 ECCE [N-]=[N+]=N[C@@H]1CCN(S(=O)(=O)CCN2C(=O)c3ccccc3C2=O)C1 1912170237 UUOKGLABFWDDAP-SNVBAGLBSA-N 349.372 0.997 10 10 ECCE NCc1ccc(N2CC[C@@](O)(CO)[C@@H](O)C2)cc1Br 2225730210 SDOPHONBYVFNQT-QWHCGFSZSA-N 331.210 0.202 10 10 ECCE COc1ccc(N2CCN(C(=O)C(=O)Nc3ccnn3C)CC2)cc1 178787939 UFOGANQQMGUKNA-UHFFFAOYSA-N 343.387 0.716 10 10 ECCE NC(=O)NCC(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1 92010855 YCIBCRMTAFJUJW-UHFFFAOYSA-N 345.447 0.503 10 10 ECCE CC(C)CN1C(=O)/C(=C/NCCCN2CCCC2)C(=O)NC1=S 255182612 MKMYDOIQUOBZEC-JLHYYAGUSA-N 338.477 0.845 10 10 ECCE Cn1cnnc1N1CCN(C(=O)NCCc2ccc(N)cc2)CC1 848603576 RQZQLRMTKYKCGO-UHFFFAOYSA-N 329.408 0.472 10 10 ECCE CN1CCN(c2ccc(CN3CCN4CCOC[C@H]4C3)cc2)CC1 757930578 PJMNWLVDXHFEAC-LJQANCHMSA-N 330.476 0.955 10 10 ECCE Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NCCOCCCN 861751688 XGYWDRDKXKBQHG-UHFFFAOYSA-N 336.436 0.159 10 10 ECCE CNC(=O)CNC[C@@H]1CCCN1C(=O)c1ccc(N=NC(N)=O)cc1 1716790497 DTZYVQNPPNVHAO-ZDUSSCGKSA-N 346.391 0.789 10 10 ECCE Cc1cc(O)n2ncc(C(=O)NC[C@@H](C(C)C)N3CCOCC3)c2n1 2062157833 OVJMZINMUSVSML-AWEZNQCLSA-N 347.419 0.830 10 10 ECCE Cc1ccccc1N1C(=O)NC(=O)C(=CNN2CCOCC2)C1=O 2296930191 FZLRMAVQAIPQNG-UHFFFAOYSA-N 330.344 0.299 10 10 ECCE CN[C@H]1C(=O)Nc2cc(N3CC(C(N)=O)C3)c(Br)cc21 723171266 NXDZAKNYFBEFQH-LLVKDONJSA-N 339.193 0.583 10 10 ECCE COC(=O)/C=C\c1ccc(N2CC[C@H](CO)[C@@H](O)C2)c([N+](=O)[O-])c1 757693320 LTDLQMVNPWUWAI-FWQWQBSGSA-N 336.344 0.961 10 10 ECCE CNC(=O)CC(=O)NCc1ccc(N2CCN(C(C)=O)CC2)cc1 787322378 PXEPDFDMIFCOLN-UHFFFAOYSA-N 332.404 0.107 10 10 ECCE CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)NCc1ccccc1O 787129287 KTDDGPGQCDFCBA-MNOVXSKESA-N 337.376 0.648 10 10 ECCE CNS(=O)(=O)c1ccc(C(=O)NCc2ccc(O)cc2O)cn1 1299574961 UMPDBMLOAOKFIK-UHFFFAOYSA-N 337.357 0.331 10 10 ECCE C[S@@](=O)C1CN(c2cc3c(cc2Br)[C@@H](N)C(=O)N3)C1 2115313498 IACYNNBUUSMSOB-NSPYISDASA-N 344.234 0.968 10 10 ECCE CCC1(CC)NC(=O)N(CC(=O)NCc2ccc(O)cc2O)C1=O 1643101042 STQYHTHLFCXKTL-UHFFFAOYSA-N 335.360 0.825 10 10 ECCE CC(C)(C)OC(=O)N1C[C@H]2OCC[C@]2(COc2nnc(=N)[nH]n2)C1 2253389087 XKNCQEWKFSWEPW-YMTOWFKASA-N 338.368 0.084 10 10 ECCE NC(=O)c1nc(CNCc2c(O)cccc2Br)no1 2270345333 KKXTZSHNPZPQIB-UHFFFAOYSA-N 327.138 0.926 10 10 ECCE CCS(=O)(=O)Nc1ccc(NS(=O)(=O)[C@@H](C)C(=O)O)cc1 49050718 NMQCQQZLARVDPQ-QMMMGPOBSA-N 336.391 0.663 10 10 ECCE CCOC(=O)c1cnn2c(O)cc(CN3C[C@@H](O)CC[C@H]3C)nc12 817287865 GGTJLNGPEDSUGI-PWSUYJOCSA-N 334.376 0.957 10 10 ECCE COCCCn1nc(C(=O)NCc2ccc(O)c(O)c2)ccc1=O 830560004 ZLSLNOGPRJFJCF-UHFFFAOYSA-N 333.344 0.621 10 10 ECCE CN(Cc1ccccc1O)C(=O)C(=O)NC[C@@H](C(=O)O)C1CCC1 853351130 WHVBZOONNAETJE-CYBMUJFWSA-N 334.372 0.968 10 10 ECCE COC(=O)CCNC(=O)COc1ccc(N(C)C)c(C(=O)OC)c1 865396289 NUODATCLBBEUFM-UHFFFAOYSA-N 338.360 0.597 10 10 ECCE C[C@H]1CC[C@@H](NC(=O)C(=O)NCCCSc2nccs2)CN1 861741842 AIKFBMMYOHUFRD-WDEREUQCSA-N 342.490 0.998 10 10 ECCE COc1ccc(CN[C@@H](CO)CNC(=O)Cc2ncc[nH]2)cc1C 1283817995 VKGNRTFZBVQPCQ-CQSZACIVSA-N 332.404 0.536 10 10 ECCE CN(C)c1ccc([C@H](CNC(=O)Cn2c(O)nnc2O)N(C)C)cc1 1472280389 CAAKVPPRVIGNSX-ZDUSSCGKSA-N 348.407 0.174 10 10 ECCE COc1ccc(CNC[C@@H](O)CNC(=O)C(=O)NCC2CC2)cc1C 1497081236 QOVQXBMINZVLTN-OAHLLOKOSA-N 349.431 0.097 10 10 ECCE CCOC(=O)[C@H]1CCCN(CC(=O)NCc2c(O)cccc2O)C1 1635850357 LLVKCIJCRMOPBC-LBPRGKRZSA-N 336.388 0.989 10 10 ECCE OCc1ccc(N2CC3(C2)OC[C@@H](O)[C@H]3O)c(Br)c1 2127264368 OEWACGFLHFNXES-VXGBXAGGSA-N 330.178 0.252 10 10 ECCE N[C@@H]1C[C@H]2CN(Cc3cc(Br)ccc3O)CCN2C1=O 1972665605 XYYSPEGPKGZYOW-NWDGAFQWSA-N 340.221 0.899 10 10 ECCE O=C(O)[C@@]1(O)CCN(Cc2cc(Br)ccc2O)C[C@@H]1O 2197465844 QIPCMJACSISQKH-WCQYABFASA-N 346.177 0.537 10 10 ECCE COc1ccc(O)c(CNC(=O)c2cn(C[C@H]3CCOC3)nn2)c1 528861939 LCXYNHJKCDTIND-LLVKDONJSA-N 332.360 0.959 10 10 ECCE CO[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1N=[N+]=[N-] 616625284 KXUDSQPSDRNDFJ-NJMOYASZSA-N 345.308 0.463 10 10 ECCE COc1ccc(N2CC[C@@H](CNC(=O)N(CCN)CCO)C2)cc1 818654470 BHXUBLBCOYOMIC-AWEZNQCLSA-N 336.436 0.484 10 10 ECCE CN1C[C@H](C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)NC1=O 830899727 KVEIRYCORAIDAL-ZIAGYGMSSA-N 333.388 0.923 10 10 ECCE COc1ccc(CNC[C@H](O)CNC(=O)c2ccc(O)nn2)cc1C 1320185484 HVERGSMVXLHNTJ-ZDUSSCGKSA-N 346.387 0.380 10 10 ECCE C[C@@H]1c2nncn2CCN1C(=O)C(=O)N1Cc2cccc(O)c2C1 1261865737 LLDHHHUQLDJYHH-SNVBAGLBSA-N 327.344 0.429 10 10 ECCE COC[C@@H]1CCCN1C[C@@H]1OC[C@@H](NCc2ccccc2O)[C@H]1O 1615260522 QRXDMSSJCXUHLI-CIRFHOKZSA-N 336.432 0.721 10 10 ECCE COc1ccc(CN[C@@H](C)CNC(=O)CN2CCOCC2=O)cc1C 1567023207 SFPWRRCTQWPBFC-AWEZNQCLSA-N 349.431 0.457 10 10 ECCE COCCCN1C(=O)NC(=O)C(=CNc2cccc3nonc23)C1=O 2296556019 PLSLNPUFGURLMD-UHFFFAOYSA-N 345.315 0.634 10 10 ECCE C[C@H]1COCC[C@@H]1NC(=O)c1cc(NS(C)(=O)=O)ccc1O 278599192 QWGCITINYNQZBX-CABZTGNLSA-N 328.390 0.919 10 10 ECCE COc1ccc(N2CC[C@@H](NC(=O)N3CC[C@H](NC(N)=O)C3)C2)cc1 854300297 XVWGDQHOJWZIEU-QWHCGFSZSA-N 347.419 0.726 10 10 ECCE COc1ccc(CNCCN(C)C(=O)Cn2ncn(C)c2=O)cc1C 1317604996 UARFNTNORSJIHX-UHFFFAOYSA-N 347.419 0.147 10 10 ECCE CCOC[C@H](C)NC(=O)C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 1347602690 KZVQJVNDPDGVRZ-UONOGXRCSA-N 349.431 0.931 10 10 ECCE O=C(NCc1cccc(Cl)c1O)NCc1nnc2c(=O)[nH]ccn12 1638501078 ATHOGDGYBZNHPG-UHFFFAOYSA-N 348.750 0.776 10 10 ECCE C[C@@H](NC(=O)NC[C@@]12COCCN1C(=O)COC2)c1ccccc1O 1565223742 VHRZHFPVAVJVKI-PXAZEXFGSA-N 349.387 0.380 10 10 ECCE CC(C)(C)OC(=O)N1CC(C(=O)NCCN=[N+]=[N-])(S(C)(=O)=O)C1 1904693396 FGEMVSNATZSJKF-UHFFFAOYSA-N 347.397 0.447 10 10 ECCE CC(C)(C)OC(=O)N1CC[C@H](O)[C@@H](O)[C@@H]1C(=O)NCCCN=[N+]=[N-] 2012237955 MRYWISHMFFJELF-HBNTYKKESA-N 343.384 0.534 10 10 ECCE CC(C)(C)OC(=O)NCC(CO)(CO)NCc1ccc(O)cc1O 2247105647 DIAJCSBWPHDLAN-UHFFFAOYSA-N 342.392 0.436 10 10 ECCE CC[C@@H](C)N1C(=O)C(=CNCCN(CC)CC)C(=O)NC1=S 2296110003 CNCVRSWJSGHIIA-LLVKDONJSA-N 326.466 0.844 10 10 ECCE NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)Cn3ccnc3)cc2)C1 746148391 WLOFKBVEKDIZGI-HNNXBMFYSA-N 341.415 0.901 10 10 ECCE COc1ccc(N2CC[C@H](CNC(=O)[C@]34CNC[C@H]3COC4)C2)cc1 846683101 OLBQCCPZEJSDFK-VCBZYWHSSA-N 345.443 0.874 10 10 ECCE CS(=O)(=O)Nc1ccc(O)c(C(=O)O[C@@H]2CCCNC2=O)c1 767307013 RGJMPYVDSORHFO-LLVKDONJSA-N 328.346 0.199 10 10 ECCE Cn1cc(CNC(=O)NCc2ccc(N3CCOCC3)cc2)nn1 783000940 ZZHVNBYCFVOTLA-UHFFFAOYSA-N 330.392 0.651 10 10 ECCE C[C@@H](N)c1ccc(N2CCNC(=O)[C@@H]2C(N)=O)cc1Br 2184141849 URVXCOGLKTVKHO-HQJQHLMTSA-N 341.209 0.259 10 10 ECCE C[C@H](O)c1ccc(N2CC[C@](O)(CO)[C@H](O)C2)c(Br)c1 2234093776 XKBZMTJWQQTDRJ-FZZIBODNSA-N 346.221 0.797 10 10 ECCE OCc1ccc(N2C[C@@H]3OC[C@H](CO)O[C@@H]3C2)cc1Br 2279762902 SSOHSMJRODAGJB-FPMFFAJLSA-N 344.205 0.906 10 10 ECCE Cn1cc(/C=C/C(=O)N2CCc3c(F)ccc(F)c32)c(=O)n(C)c1=O 493469314 WXTBNVHBCWOVLM-ZZXKWVIFSA-N 347.321 0.965 10 10 ECCE CCN(CC)CCCNC(=O)C(=O)N(C(C)=O)c1ccc(N)cc1 170318622 XPMGZPGOUAOYEJ-UHFFFAOYSA-N 334.420 0.996 10 10 ECCE Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C(=O)N1CC(CO)C1 817861763 MFYVOEXAGYTBDN-ZDUSSCGKSA-N 333.432 0.559 10 10 ECCE O=C1C[C@H](C(=O)NCc2ccc(N3CCN(CC4CC4)CC3)cc2)N1 831561081 IHBNATDVNDAEEM-QGZVFWFLSA-N 342.443 0.723 10 10 ECCE COc1ccc(N2CCN(CCNC(=O)Cn3ccnc3)CC2)cc1 746175923 XUXMLWAILBCZCR-UHFFFAOYSA-N 343.431 0.830 10 10 ECCE COc1ccc(N2CC[C@H](NC(=O)C(=O)NC[C@@H](C)C(=O)O)C2)cc1 851684071 WGVOJRGCGUVPMW-NEPJUHHUSA-N 349.387 0.227 10 10 ECCE CO[C@]1(CO)CCCN(CC(=O)NCc2ccc(N(C)C)cc2)C1 852412760 ZQSLBGMSZDRQKA-GOSISDBHSA-N 335.448 0.842 10 10 ECCE O=C(COC(=O)c1cn(C[C@@H]2CCOC2)nn1)c1ccc(O)c(O)c1 860127249 UMAFPRDPWFWONS-JTQLQIEISA-N 347.327 0.766 10 10 ECCE COCc1cc(NC(=O)C(=O)N(C)Cc2ccccc2O)ncn1 1116473785 OBAIWRMVBUVLLU-UHFFFAOYSA-N 330.344 0.926 10 10 ECCE Cn1cc(C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)nn1 1133626590 QLUWQMCEOBJYFX-UHFFFAOYSA-N 342.403 0.447 10 10 ECCE Nc1nc(O)c(/C=C2\C(=O)NN(c3ccccc3)C2=O)c(Cl)n1 1084501279 OKTDGVJYDJMDKJ-RMKNXTFCSA-N 331.719 0.879 10 10 ECCE COCCC(=O)N1CC[C@H](NC(=O)c2cc(OC)nc(OC)c2)C1 1524631071 QYRQZRWHPCXVSD-LBPRGKRZSA-N 337.376 0.466 10 10 ECCE CC(=O)c1cc(Cl)cc(CN2C[C@H](C(N)=O)[C@@H](C(N)=O)C2)c1O 1460435263 QGLGWLCDQGOPBH-RYUDHWBXSA-N 339.779 0.267 10 10 ECCE CC1=C(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)Cn2nnnc2N1C 1466791557 VLGGJVPTZWTXKH-SECBINFHSA-N 344.375 0.556 10 10 ECCE C[C@H](CN[C@H]1CCNC1=O)N(C)C(=O)c1ccc(N=NC(N)=O)cc1 1482373176 XHOHSBYMFVTPRW-MFKMUULPSA-N 346.391 0.788 10 10 ECCE CN(C)c1ccc([C@H](NC(=O)[C@H]2C[C@@H](O)CN2)c2nccn2C)cc1 1866040683 UITKPSMMUNVCCF-OAGGEKHMSA-N 343.431 0.415 10 10 ECCE O=C(O)CN1CCN(Cc2ccc(Br)cc2O)CC1=O 705731292 DLXOLFYFJOCKKT-UHFFFAOYSA-N 343.177 0.884 10 10 ECCE Cc1cc(O)n2ncc(C(=O)N3CCC(F)(F)[C@H](CO)C3)c2n1 2062611933 BMDCPWCHVTXADF-VIFPVBQESA-N 326.303 0.833 10 10 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COC(=O)[C@@H]1C[C@@H](O)CN1Cc1ccc([N+](=O)[O-])c(OC)c1O 278183855 HEGPRBUFBMHUPV-KOLCDFICSA-N 326.305 0.417 10 10 ECCE C[C@@H]1C(=O)N(C)CN1C(=O)NCc1ccc(N2CCOCC2)cc1 825752755 AJXLGLFRSGPVPH-CYBMUJFWSA-N 332.404 0.853 10 10 ECCE C[C@]12COC[C@H]1CN(C(=O)c1cc(NS(C)(=O)=O)ccc1O)C2 855836358 XCABYIGWOYAEOS-BMIGLBTASA-N 340.401 0.872 10 10 ECCE COc1ccc(N2CCC(NC(=O)C[C@@H]3NC(=O)NC3=O)CC2)cc1 758018676 GUUCNKUKCGVUGI-AWEZNQCLSA-N 346.387 0.378 10 10 ECCE COc1cccc(CNC(=O)c2cc3c(=O)[nH]c(C)cn3n2)c1O 1622779501 PYWGZHVSYKKNFT-UHFFFAOYSA-N 328.328 0.975 10 10 ECCE COc1cc(C(=O)N[C@@H](CO)CNC(=O)[C@@H]2CC23CC3)cc(OC)n1 1738914697 RVXHBNSWANLIOH-NEPJUHHUSA-N 349.387 0.106 10 10 ECCE COc1ccc(CN[C@@H](CO)CNC(=O)c2cnn(C)c2)cc1C 1571423192 NTNYVNRPVDBAIE-OAHLLOKOSA-N 332.404 0.618 10 10 ECCE COC(=O)[C@@H]1CN(C)C(=O)CN1Cc1ccc(N2CCOCC2)cc1 1648535382 NYCGTZUVYXGJKW-INIZCTEOSA-N 347.415 0.339 10 10 ECCE CS(=O)(=O)N1CCC(C(=O)NCc2ccc(O)cc2O)CC1 1570462351 PZOGFWNNKQEGCK-UHFFFAOYSA-N 328.390 0.386 10 10 ECCE COc1cc(C(=O)N[C@H](C)CNC(=O)c2cccn2C)cc(OC)n1 1758773013 DYGWKKWSRBIQDN-LLVKDONJSA-N 346.387 0.986 10 10 ECCE O=C1NC(=S)NC(=O)C1=Cc1cn(C[C@H]2CO2)c2ccccc12 220975170 FGQIBCUJIIOSCY-JTQLQIEISA-N 327.365 0.954 10 10 ECCE CN[C@@H](C)c1ccc(N2CC(O)(C(N)=O)C2)c(Br)c1 1915249436 YFBQHXKITZLIJK-QMMMGPOBSA-N 328.210 0.766 10 10 ECCE Cn1nnc(Br)c1CNC(=O)c1cc(O)c(O)c(O)c1 2188918553 GBJQDYIIVGKUSI-UHFFFAOYSA-N 343.137 0.624 10 10 ECCE CNCc1ccc(N2CC3(C2)OC[C@@H](O)[C@@H]3O)c(Br)c1 2183630640 DXGZQXMVPXCJGS-OLZOCXBDSA-N 343.221 0.479 10 10 ECCE O=C(CN1C(=O)CSC1=S)N1CC[C@@H](Oc2cnccn2)C1 219918433 KPLPKXXTOZGWBQ-SECBINFHSA-N 338.414 0.317 10 10 ECCE CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NCc1c(O)ccc2c1CCCC2 193597329 NVZJBJWMGFSBFT-CZUORRHYSA-N 332.400 0.869 10 10 ECCE Nc1ccc(OCCOn2c(=O)c(=O)oc3c(N)cccc32)cc1 821297172 PZLNHMDNUBIUHM-UHFFFAOYSA-N 329.312 0.627 10 10 ECCE CN(Cc1ccc(N2CCOCC2)cc1)C[C@H](O)CN1CCCC1=O 732408646 VQBQFMOIVHJWJM-SFHVURJKSA-N 347.459 0.938 10 10 ECCE 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CC(=O)C(=O)COC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 808518041 WOWRVJIENMDQDA-VIFPVBQESA-N 338.272 0.494 10 10 ECCE C[C@H](NC(=O)CN1CC(=O)NC1=O)c1ccc(N2CCOCC2)cc1 732277028 BHAZHXDSIBEWJS-LBPRGKRZSA-N 346.387 0.252 10 10 ECCE COc1cccc(CNS(=O)(=O)C[C@@H]2CN(C)CCO2)c1O 866840482 GTEXIWFNJUBESH-LBPRGKRZSA-N 330.406 0.151 10 10 ECCE COC(=O)CCN(C)S(=O)(=O)Nc1ccc(O)c(C(=O)O)c1 776435050 XCWDCHDWRCEPHB-UHFFFAOYSA-N 332.334 0.242 10 10 ECCE CC(C)(O)C[C@H](O)CNCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 872199655 RDYCSJVSNJSSFK-WBVHZDCISA-N 349.475 1.000 10 10 ECCE COc1ccc(-n2nnnc2CNCCN(C)C(=O)[C@@H](C)OC)cc1 1317570836 SZZCZEOHBUHZFZ-GFCCVEGCSA-N 348.407 0.254 10 10 ECCE CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H](O)C1CCC1 1261261888 FJUXONFQYLFIDI-SWLSCSKDSA-N 337.372 0.849 10 10 ECCE COc1ccc(CN[C@@H](CNC(=O)Cn2ncnn2)C2CC2)cc1C 1713864569 AGUWJBSTELIOGY-HNNXBMFYSA-N 344.419 0.675 10 10 ECCE C[C@@H](NC(=O)c1c[nH]nc1S(N)(=O)=O)c1ccc(N(C)C)cc1 1638957503 PVGWBHPITHNFJS-SECBINFHSA-N 337.405 0.614 10 10 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CN(C)S(=O)(=O)CCNC(=O)c1cc2cc(O)c(O)cc2s1 1298772518 FRBIOVFGWXLOKH-UHFFFAOYSA-N 344.414 0.934 10 10 ECCE COc1ccc(CN[C@H](CO)CNC(=O)CC2(O)CCC2)cc1C 1700790600 XUJPPCANCLBCFT-HNNXBMFYSA-N 336.432 0.875 10 10 ECCE CCOC(=O)c1n[nH]c([C@@H](C)NC(=O)Cc2ccc(O)c(O)c2)n1 1629029979 UVVDZOMMWOKSRD-MRVPVSSYSA-N 334.332 0.813 10 10 ECCE COC(=O)[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1)c1ccnn1C 1557170308 AJTAFJISSCVZPM-DRDHIDPGSA-N 331.328 0.875 10 10 ECCE C[C@@H]1CN(C(=O)Cc2ccc(O)c(O)c2)CCN1S(C)(=O)=O 1632907117 FVTXMUDPCRVKCN-SNVBAGLBSA-N 328.390 0.133 10 10 ECCE O=C(Cc1ccc(O)c(O)c1)NC[C@@H]1CCC[C@]12NC(=O)NC2=O 1634402633 BFPGRUVLQDDQET-QFYYESIMSA-N 333.344 0.135 10 10 ECCE CC(C)(C)OC(=O)N1CC[C@H](O)[C@@H](O)[C@@H]1C(=O)N1CC(N=[N+]=[N-])C1 2012237266 CYMKGBUULKXBNF-HBNTYKKESA-N 341.368 0.239 10 10 ECCE O=C(c1cc(O)c(O)c(O)c1)N(Cc1ccccc1)CC1(O)CNC1 2068625494 YQDWVFHKMWRCNL-UHFFFAOYSA-N 344.367 0.780 10 10 ECCE COc1ccc(O)c(CN2CCN(CC(=O)N3CCOCC3)CC2)c1 271766622 DKKDXUGRADDUPH-UHFFFAOYSA-N 349.431 0.377 10 10 ECCE O=C1COc2cc([N+](=O)[O-])c(N3CCN4C(=O)NC[C@@H]4C3)cc2N1 370539891 OWHZSISBHPGLCE-MRVPVSSYSA-N 333.304 0.140 10 10 ECCE COC1(CS(=O)(=O)NCCc2ccc(N)cc2)CCOCC1 905343561 JUTFATAXOUNOIE-UHFFFAOYSA-N 328.434 0.926 10 10 ECCE COc1ccc(O)c(CN2CCN(c3nccn(C)c3=O)CC2)c1 775712168 MVJMHAOOKDHMQQ-UHFFFAOYSA-N 330.388 0.817 10 10 ECCE COC(=O)[C@@]1(CNCc2cc(F)cc(F)c2O)C[C@@H]1S(C)(=O)=O 895512725 QQPHTOVESAWTNZ-SMDDNHRTSA-N 349.355 0.736 10 10 ECCE COc1ccc(CNC[C@H](O)CNC(=O)Cc2cnn(C)c2)cc1C 1320200408 FSEFKDLYVCSAGN-INIZCTEOSA-N 346.431 0.547 10 10 ECCE NC(=O)CN1CCC[C@@H](NC(=O)c2cc3cc(O)c(O)cc3s2)C1 1443536225 KMNXZEFHQMVLKX-SNVBAGLBSA-N 349.412 0.992 10 10 ECCE OC[C@@H]1C[C@H](NCc2ccc(Br)cc2O)[C@@H](O)[C@@H]1O 2121469610 INZGXMHDWSYXBM-LOHPEHISSA-N 332.194 0.347 10 10 ECCE O=C(NCc1ccc(O)cc1O)c1ccnc(N2CCOCC2)n1 1557085376 KMYJXRBWIZZAAS-UHFFFAOYSA-N 330.344 0.654 10 10 ECCE CON(C)C[C@@H](O)Cn1cc(NC(=O)c2cccc(O)c2O)cn1 1630715355 QGGCGWAQOITZLQ-LLVKDONJSA-N 336.348 0.401 10 10 ECCE O=C(NCc1ccc(O)c(O)c1)[C@@H]1COCCN1CC(F)(F)F 1630272922 HFYUFQQEHHWHRF-JTQLQIEISA-N 334.294 0.977 10 10 ECCE Cc1nc2c(n1CCO)CC[C@H](NC(=O)Cc1ccc(O)c(O)c1)C2 1636197786 YDEHTTHCRHKDCN-ZDUSSCGKSA-N 345.399 0.811 10 10 ECCE CS(=O)(=O)Nc1ccc(O)c(C(=O)N2C[C@H]3COC(=O)[C@H]3C2)c1 1643058790 BVFWSSYYGQHYFD-KWQFWETISA-N 340.357 0.009 10 10 ECCE CSc1ncc(CNCCS(=O)(=O)N2CCOCC2)s1 2208476072 KAQKSWUCYYIXRB-UHFFFAOYSA-N 337.492 0.617 10 10 ECCE COC(=O)CC1=NN(c2ccc(OC)cc2)C(=O)C1=C(C)NCCO 2294474347 GGQUYSYXYKJRNO-UHFFFAOYSA-N 347.371 0.817 10 10 ECCE O=C(NCCc1ccc(O)c(O)c1)c1cn(C[C@@H]2CCOC2)nn1 528857850 PSVRZTQMHFKAEM-LBPRGKRZSA-N 332.360 0.698 10 10 ECCE CCOC(=O)CN(CCCS(=O)(=O)NC)Cc1ccccc1O 823581256 HGDSVSYBXISFOY-UHFFFAOYSA-N 344.433 0.697 10 10 ECCE C[C@H]1C(=O)N(C)CN1C(=O)C(=O)NCCCSc1nccs1 834751704 WXRHNXSQBUNTNP-VIFPVBQESA-N 342.446 0.388 10 10 ECCE COc1ccc(N2CC[C@@H](NC(=O)C3CN(C)CCN(C)C3)C2)cc1 912291777 CHVDUQWTFKKWOL-MRXNPFEDSA-N 346.475 0.884 10 10 ECCE C[C@H]1CN(C)C[C@H]1NCc1ccc(N2CCS(=O)(=O)CC2)cc1 756121344 OXSKEPVQIXAVAN-WMLDXEAASA-N 337.489 0.961 10 10 ECCE O=C1COC[C@@]2(CNCc3c(O)ccc(Cl)c3F)COCCN12 865796370 SXFQLFGRFGXQOV-OAHLLOKOSA-N 344.770 0.902 10 10 ECCE CN(Cc1ccc(N(C)C)cc1)C(=O)CN(C)C1CS(=O)(=O)C1 931238394 JVUMRMBBOHEVPR-UHFFFAOYSA-N 339.461 0.440 10 10 ECCE CN(C)c1ccc(CNC(=O)CN2CCN3C(=O)OCC[C@@H]3C2)cc1 764438460 SAOYTVHEVDXWCQ-MRXNPFEDSA-N 346.431 0.895 10 10 ECCE COc1ccc(CN[C@@H](C)CN(C)C(=O)Cn2ncnn2)cc1C 1277819408 LPPSHGCHDMTSLB-ZDUSSCGKSA-N 332.408 0.627 10 10 ECCE CN(CCCN(C)C(=O)c1ccc(N=NC(N)=O)cc1)CC(N)=O 1700195363 NJSIKEDBDWDGMV-UHFFFAOYSA-N 334.380 0.728 10 10 ECCE CN(C)S(=O)(=O)c1ccc(C(=O)NCc2ccc(O)cc2O)o1 1626838237 STUBQIMXXHDHEG-UHFFFAOYSA-N 340.357 0.871 10 10 ECCE O=C(NCc1ccc(O)cc1O)c1cc(N2CCOCC2)ncn1 1630307601 WWQIOTIEJJQDJI-UHFFFAOYSA-N 330.344 0.654 10 10 ECCE O=C1Nc2cc(N3CC[C@@H]3[C@@H](O)CO)c(Br)cc2[C@H]1O 2286206156 HHDYDGMZUXNXDW-ADEWGFFLSA-N 343.177 0.367 10 10 ECCE Cc1ccc(CN2C[C@@H](O)[C@@H](O)[C@@H]2CO)c(O)c1Br 2352688706 VPBXHRIICDOSKP-CWSCBRNRSA-N 332.194 0.361 10 10 ECCE CCN1C(=O)/C(=C\N[C@H](CCSC)C(=O)O)C(=O)N=C1S 103128255 CTEDPQGFVGRVMW-NFXKFNAJSA-N 331.419 0.341 10 10 ECCE C[C@H]1C(=O)N(C)CN1C(=O)C(=O)NCc1ccc(N(C)C)c(F)c1 834677823 NMRIZHWKZSKHNT-JTQLQIEISA-N 336.367 0.155 10 10 ECCE C[C@H](CC(=O)NCc1ccc(N2CCC(O)CC2)cc1)NC(N)=O 856209535 RMCIKOXRXPAETH-GFCCVEGCSA-N 334.420 0.711 10 10 ECCE CO[C@@H](CNC(=O)C(=O)NCCc1ccc(N)cc1)[C@@H]1CCOC1 851688148 RKQUBJKQMFZBPH-HIFRSBDPSA-N 335.404 0.095 10 10 ECCE CCOC(=O)c1cnn2c(O)cc(COC(=O)c3ccnnc3)nc12 778841180 WFJNQQDLBZNRAL-UHFFFAOYSA-N 343.299 0.759 10 10 ECCE COc1cc(O)c(CN[C@H]2C(=O)NCC23CCOCC3)cc1OC 895770539 GNTYZNMSLMCJLQ-HNNXBMFYSA-N 336.388 0.794 10 10 ECCE CN(CCN[C@@H]1CCNC1=O)C(=O)c1ccc(N=NC(N)=O)cc1 1317663860 BQTHEIVAWMUXPF-GFCCVEGCSA-N 332.364 0.399 10 10 ECCE O=C(/C=C\c1ccc(O)c(O)c1)N1CCN2CCOC[C@]2(CO)C1 1522287940 ADWSYMYYIANXGG-POKLJVKSSA-N 334.372 0.017 10 10 ECCE C[C@H](NC(=O)CNS(=O)(=O)c1cccnc1)c1ccccc1O 1557968821 NIXVZCNHTXFMGZ-NSHDSACASA-N 335.385 0.943 10 10 ECCE COc1ccc(CNC[C@@H](O)CN(C)C(=O)c2cc[nH]n2)cc1C 1725685923 MORFBAIKRAIQHK-CQSZACIVSA-N 332.404 0.949 10 10 ECCE CC(C)(C)OC(=O)Cn1cc(C(=O)NCc2ccc(O)c(O)c2)nn1 1631434329 PBXHHRNBJJAPDO-UHFFFAOYSA-N 348.359 0.961 10 10 ECCE COc1ccc(CN[C@H](CO)CNC(=O)c2cncnc2)cc1C 1734366795 XTKLBRFTCGEXRX-HNNXBMFYSA-N 330.388 0.674 10 10 ECCE O=C(Cc1ccc(O)c(O)c1)NCC1(O)CCC2(CC1)OCCO2 1645003389 PZKMOMVIWDLMMD-UHFFFAOYSA-N 337.372 0.805 10 10 ECCE O=C(CCN1C(=O)NC2(CCCC2)C1=O)NCc1cccc(O)c1O 1651172949 LWAUSTNPGXLLML-UHFFFAOYSA-N 347.371 0.969 10 10 ECCE CCNC(=O)CN[C@@H](C)CNC(=O)c1ccc(N=NC(N)=O)cc1 1774050370 RPAZLYYVZOXNBG-JTQLQIEISA-N 334.380 0.693 10 10 ECCE COc1ccc(CNC[C@H](O)CNC(=O)Cc2[nH]cnc2C)cc1C 1699070187 LPQUVJCALGOQIQ-HNNXBMFYSA-N 346.431 0.845 10 10 ECCE COC(=O)/C=C/c1ccc(N2CCC(O)(C(N)=O)CC2)c([N+](=O)[O-])c1 241564171 ORYUHCDLHYJLQF-UHFFFAOYSA-N 349.343 0.598 10 10 ECCE CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@]2(COc2nnc(=N)[nH]n2)C1 2217056177 ZVRGWFDLMCIUFI-XPTSAGLGSA-N 338.368 0.084 10 10 ECCE OCc1ccc(N2CC[C@](O)(CO)[C@@H](O)C2)cc1Br 2225720513 AXUQTKMLRHWDNJ-STQMWFEESA-N 332.194 0.236 10 10 ECCE Cc1ccc(CNC(=O)[C@]2(O)CCNC2)c(O)c1Br 2352641778 XDNIWERHVPWBCV-ZDUSSCGKSA-N 329.194 0.804 10 10 ECCE CNC(=O)CN(C)c1cc2c(cc1Br)[C@@H](N)C(=O)N2 723178404 ADBLKVTUNJGIBR-LLVKDONJSA-N 327.182 0.583 10 10 ECCE COc1ccc(N2CC[C@H](NC(=O)[C@@H]3OCCN(C)C3=O)C2)cc1 912292954 QUOCFQRKWSJGAI-WFASDCNBSA-N 333.388 0.247 10 10 ECCE COC[C@@H](COC(=O)c1cc(NS(C)(=O)=O)ccc1O)OC 849712953 UDBIDWLJKLHCRZ-JTQLQIEISA-N 333.362 0.582 10 10 ECCE COc1ccc(N2CC[C@@H](NC(=O)N[C@H]3COC[C@H]3OC)C2)cc1 852380427 NAWAAZJXHQESKK-UHOFOFEASA-N 335.404 0.987 10 10 ECCE CNCCCNC(=O)C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 851688270 VIFVSNDPSGTTSH-CYBMUJFWSA-N 334.420 0.116 10 10 ECCE NC(=O)N=Nc1ccc(C(=O)NC[C@]23COCCN2C(=O)OC3)cc1 1174571347 VLUKGMWQAUIKJI-OAHLLOKOSA-N 347.331 0.800 10 10 ECCE COC(=O)c1ncoc1COCC(=O)NCc1cccc(O)c1O 1455316708 QKEDTXZXARBVTH-UHFFFAOYSA-N 336.300 0.705 10 10 ECCE O=C(NCCS(=O)(=O)C(F)(F)F)c1c(F)ccc(O)c1O 1559013141 MKBJXNNJPANZSH-UHFFFAOYSA-N 331.243 0.901 10 10 ECCE CC(C)CC(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C)c1ccccc1O 1632246426 HXQFIGCIMXNAFL-YPMHNXCESA-N 335.404 0.976 10 10 ECCE COc1cc(C(=O)N[C@H](CO)CNC(=O)C(C)(C)C)cc(OC)n1 1572353898 BPJSHVRZBGYUIH-NSHDSACASA-N 339.392 0.352 10 10 ECCE COc1ccc(CN[C@@H](CO)CNC(=O)C(C)(C)C(N)=O)cc1C 1571432611 RZHLLUGJBQJZMX-CYBMUJFWSA-N 337.420 0.082 10 10 ECCE C[C@@H](O)c1ccc(N2CCNC(=O)[C@@H]2C(N)=O)c(Br)c1 2184131744 MDNSJDSAKQNOFT-HQJQHLMTSA-N 342.193 0.293 10 10 ECCE CC(=O)C(=O)COC(=O)CCCNS(=O)(=O)c1ccc(C)cc1 808507063 XFPCHZWWWCGKTH-UHFFFAOYSA-N 341.385 0.755 10 10 ECCE CC(=O)C(=O)COC(=O)[C@H]1CCCN1S(=O)(=O)c1cccs1 808511073 UPHCLJOZUHDVDY-SNVBAGLBSA-N 345.398 0.603 10 10 ECCE CN(Cc1ccc(N(C)C)cc1)C(=O)CN1CCn2nncc2C1 847033033 FISLCFSISBVPQJ-UHFFFAOYSA-N 328.420 0.818 10 10 ECCE COc1ccc(N2CCN(C(=O)[C@]34CNC[C@H]3COC4)CC2)cc1 846672667 JAGOPUIFUGGVCA-KSSFIOAISA-N 331.416 0.580 10 10 ECCE C[C@@H](NS(=O)(=O)C1CNC1)c1ccc(N2CCOCC2)cc1 923594215 HTACHSQOPQHKKA-GFCCVEGCSA-N 325.434 0.475 10 10 ECCE COc1ccc(N2CCN(CCNC(=O)[C@@H]3C[C@H]3OC)CC2)cc1 930941824 ZGZCFRJOVFCFIB-IAGOWNOFSA-N 333.432 0.968 10 10 ECCE COC(=O)[C@H]1CCN(C(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)C1 1117505178 SZKMBJBRCPAPIG-JSGCOSHPSA-N 347.415 0.951 10 10 ECCE COc1cc(N2CCN(C[C@@H](O)CO)CC2)cc(OC)c1OC 1334069341 GIHGRYGWVUZUSL-CYBMUJFWSA-N 326.393 0.188 10 10 ECCE COc1ccc(CN[C@H](CO)CNC(=O)Cc2cncn2C)cc1C 1278178080 AOJNJYVCQQIBJY-HNNXBMFYSA-N 346.431 0.547 10 10 ECCE COc1cc(C(=O)N[C@H](C)CN(C)C(=O)c2cn[nH]c2)cc(OC)n1 1718527684 IWSTYMUNJZNTHY-SNVBAGLBSA-N 347.375 0.712 10 10 ECCE COC(=O)CC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 1630737818 AZXNYYFRALMEKI-CYBMUJFWSA-N 333.388 0.568 10 10 ECCE O=C(Cc1ccc(O)c(O)c1)N[C@H]1CCN(CCN2CCOCC2)C1 1565701375 CPALZVINXQYTNF-HNNXBMFYSA-N 349.431 0.163 10 10 ECCE CCS(=O)(=O)N1CCC[C@@H](C(=O)NCc2cc(O)ccc2O)C1 1593873566 RTBBZOOTDUUMPL-LLVKDONJSA-N 342.417 0.776 10 10 ECCE N[C@H]1C(=O)Nc2cc(N3CCCNC(=O)C3)c(Br)cc21 118712613 FHCONRBPRTZRAA-GFCCVEGCSA-N 339.193 0.727 10 10 ECCE CCNCc1ccc(N2C[C@H](O)[C@H](O)[C@@H]2CO)c(Br)c1 2201031590 AMYYHSQGPUNOSP-MELADBBJSA-N 345.237 0.461 10 10 ECCE CC(C)(C)OC(=O)NC[C@H](COc1nnc(=N)[nH]n1)C(F)(F)F 2210649235 ZQKQREYZYYYIAJ-ZCFIWIBFSA-N 338.290 0.761 10 10 ECCE CCN1CCC[C@H]1CNC=C1C(=O)NC(=S)N(CC(C)C)C1=O 2295113221 PKUNKZWARMNKKE-LBPRGKRZSA-N 338.477 0.844 10 10 ECCE CCCCN1C(=O)NC(=O)C(=CNCCCN2CCOCC2)C1=O 2297060289 NHSBYDSBRLJWJB-UHFFFAOYSA-N 338.408 0.061 10 10 ECCE C[C@H](O)c1ccc(N2C[C@@H](O)[C@@H](O)[C@@H]2CO)cc1Br 2332914989 CKXBWUZWUJINIY-VGYUKGMSSA-N 332.194 0.405 10 10 ECCE Cc1ccc(/C=C2/SC(=S)N(CC(=O)NCC(=O)O)C2=O)o1 210393944 VJOJJBAHTSGSJS-RUDMXATFSA-N 340.382 0.990 10 10 ECCE CN(C)c1ccc(CNC(=O)CN2CC[C@H](Cn3ccnn3)C2)cc1 852315641 VWDMGCVFTMLBLE-INIZCTEOSA-N 342.447 0.982 10 10 ECCE COc1ccc(CNC[C@H](O)CNC(=O)C[C@H]2CCOC2)cc1C 1268324275 RIGYDFAYLAJSTJ-CVEARBPZSA-N 336.432 0.997 10 10 ECCE CN(C)c1ccc([C@@H](CNC(=O)Cn2c(O)nnc2O)N(C)C)cc1 1472280388 CAAKVPPRVIGNSX-CYBMUJFWSA-N 348.407 0.174 10 10 ECCE C[C@@H](O)c1ccc(N2C[C@H](O)[C@H](O)[C@@H]2CO)c(Br)c1 2136282594 BXHJQQPTNZDUDG-FFAVSVRISA-N 332.194 0.405 10 10 ECCE CN(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)C(=O)C[C@H]1C[C@H](N)C1 1980378507 VMDWAZBXYBZVGZ-IJLUTSLNSA-N 327.425 0.707 10 10 ECCE CCN1C(=O)[C@H]2CN(C(=O)/C=C/c3ccc(O)c(O)c3)CCN2C1=O 374775673 DOABUGWLXJNCIE-FVOPLDGLSA-N 345.355 0.606 10 10 ECCE CN(C)C(=O)CCN1CCN(C(=O)c2c(F)ccc(O)c2O)CC1 294942366 MBGOTFKQXLBODP-UHFFFAOYSA-N 339.367 0.473 10 10 ECCE C[C@H]1C(=O)N(C)CN1C(=O)NCc1ccc(N2CCC(O)CC2)cc1 823518690 AEZLFNKQWPNWPL-ZDUSSCGKSA-N 346.431 0.977 10 10 ECCE COc1ccc(N2CC[C@H](NC(=O)NC[C@@H]3CCC(=O)N3)C2)cc1 854297526 RVMTZZZNBLHNQD-STQMWFEESA-N 332.404 0.852 10 10 ECCE NS(=O)(=O)N1CCc2ccc(NC(=O)c3cccc(O)c3O)cc21 1136315440 YSSKXXCWXYIKEY-UHFFFAOYSA-N 349.368 0.916 10 10 ECCE NC(=O)N=Nc1ccc(C(=O)N[C@H]2C[C@@H](NCCOCCO)C2)cc1 1265572546 JFZNICIRYZTFLZ-OKILXGFUSA-N 349.391 0.708 10 10 ECCE CNC(=O)CN(C)CCN(C)C(=O)c1ccc(N=NC(N)=O)cc1 1482652861 GKZRULOYMLNZGC-UHFFFAOYSA-N 334.380 0.599 10 10 ECCE O=C(Cc1ccc(O)c(O)c1)NC[C@H]1CCC[C@]12NC(=O)NC2=O 1634402631 BFPGRUVLQDDQET-HWPZZCPQSA-N 333.344 0.135 10 10 ECCE CC(C)(CNS(C)(=O)=O)NC(=O)/C=C/c1ccc(O)c(O)c1 1645053879 LOWUKGIHVJFNLM-FNORWQNLSA-N 328.390 0.555 10 10 ECCE C[C@@H](O)c1ccc(N2C[C@H](O)[C@H](O)[C@H]2CO)cc1Br 2136282653 CKXBWUZWUJINIY-WXVIEYFRSA-N 332.194 0.405 10 10 ECCE CO[C@]1(CO)CCCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C1 401873798 JESGOWCULZLMPN-OAHLLOKOSA-N 337.332 0.903 10 10 ECCE OCCO[C@]1(CNCc2ccc(N3CCOCC3)cc2)CCOC1 850357803 VPYXRVBCEAOUDU-SFHVURJKSA-N 336.432 0.781 10 10 ECCE COc1ccc(N2CC[C@@H](NC(=O)C(=O)Nc3cnnn3C)C2)cc1 850536685 JBQJQWWAIGTUEU-LLVKDONJSA-N 344.375 0.157 10 10 ECCE COCC(=O)N(C)CC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 855234312 XAEIIKARUOZIAD-ZDUSSCGKSA-N 335.404 0.495 10 10 ECCE O=C1OC[C@@]2(CNCc3ccc(N4CCOCC4)cc3)COCCN12 865767428 GXZBLCFHUBQVIO-GOSISDBHSA-N 347.415 0.834 10 10 ECCE CC(=O)C(=O)COC(=O)CN1C(=O)C(F)(F)Oc2ccccc21 796055162 YRBKNSXLIZLTTR-UHFFFAOYSA-N 327.239 0.706 10 10 ECCE COc1ccc(CNCCN(CCO)C(=O)c2cn(C)cn2)cc1C 1326009153 MKALNGLLGJXAPK-UHFFFAOYSA-N 346.431 0.961 10 10 ECCE COCC(=O)NCCC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 1328439861 UAYZJUOKJYLQFE-ZDUSSCGKSA-N 335.404 0.543 10 10 ECCE CS(=O)(=O)NCCCNC(=O)c1cc2cc(O)c(O)cc2s1 1464016400 CGDQRJLCQUFYSU-UHFFFAOYSA-N 344.414 0.982 10 10 ECCE NS(=O)(=O)c1cccc2c1CCN(C(=O)c1cccc(O)c1O)C2 1588132000 HSVCISMANQGORI-UHFFFAOYSA-N 348.380 0.944 10 10 ECCE Cc1ccc(S(N)(=O)=O)cc1C(=O)NCc1c(O)cccc1O 1597569797 TYGRSJOZPHURQM-UHFFFAOYSA-N 336.369 0.984 10 10 ECCE CCN1CCN(C(=O)c2cnn3c(O)cc(C)nc23)C(C)(C)C1=O 2064805410 DNLUZXGQJXJKKB-UHFFFAOYSA-N 331.376 0.826 10 10 ECCE O=C(C=Cc1ccc(O)c(O)c1)O[C@@H]1CC(C(=O)O)=C[C@H](O)[C@@H]1O 2333320734 QMPHZIPNNJOWQI-GUTXKFCHSA-N 336.296 0.159 10 10 ECCE 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0.641 10 10 ECCE COc1ccc(CN[C@@H](C)CNC(=O)CCn2cnnn2)cc1C 1317283785 ZIABWQCFQDIXGK-ZDUSSCGKSA-N 332.408 0.675 10 10 ECCE COc1ccc(CNS(=O)(=O)c2cccc(C(N)=O)c2)c(O)c1 1321548598 QNKZENGRVQRSKJ-UHFFFAOYSA-N 336.369 0.978 10 10 ECCE COc1ccc(CNC[C@H](O)CN(C)C(=O)C2(C(N)=O)CC2)cc1C 1332566367 OEJGDGHRXAJZMF-AWEZNQCLSA-N 349.431 0.178 10 10 ECCE COc1ccc(-n2nnnc2CN[C@@H](C)CNC(=O)[C@@H]2C[C@H]2C)cc1 1265808606 HHHAOFNOFZXZJN-TYNCELHUSA-N 344.419 0.921 10 10 ECCE COc1ccc(N2CCN(C(=O)C3=C4CCCN=C4NN3)CC2)cc1 1445729382 FIYYANISVQJTMB-UHFFFAOYSA-N 341.415 0.898 10 10 ECCE COc1ccc(N2CCC(NC(=O)Cn3nnc(N)n3)CC2)cc1 1292594675 WWMVHZRNZVXAIR-UHFFFAOYSA-N 331.380 0.049 10 10 ECCE C[C@H](C(=O)NCc1cccc(O)c1O)N1C(=O)NC2(CCCC2)C1=O 1471644158 NUUWLSRHPBAFIX-SNVBAGLBSA-N 347.371 0.967 10 10 ECCE O=C(CN1CCCC2(CC2)S1(=O)=O)NCc1ccc(O)c(O)c1 1566359806 OFSUQNHVNGPBEY-UHFFFAOYSA-N 340.401 0.672 10 10 ECCE CC(C)(C)OC(=O)N[C@@]1(C(=O)NCCN=[N+]=[N-])CCS(=O)(=O)C1 1985101748 XFMHAXKFKDQVJN-LBPRGKRZSA-N 347.397 0.495 10 10 ECCE CN(CCN=[N+]=[N-])C(=O)[C@@H]1[C@H](O)[C@H](O)CN1C(=O)OC(C)(C)C 1993362783 VYSUWCISMHDGGV-KXUCPTDWSA-N 329.357 0.096 10 10 ECCE CN(CCCN=[N+]=[N-])C(=O)[C@@H]1[C@H](O)[C@@H](O)CN1C(=O)OC(C)(C)C 2022959265 LCJXMWSUPFVPHV-GARJFASQSA-N 343.384 0.486 10 10 ECCE Cc1cc(O)n2ncc(C(=O)N3C[C@@H](N4CCOCC4)C[C@@H]3C)c2n1 2062867840 OHZNYIWNVIMHOM-STQMWFEESA-N 345.403 0.679 10 10 ECCE CC(C)(C)OC(=O)NC(CO)(CO)C(=O)N1CCC(N=[N+]=[N-])CC1 2303922657 XYLWIJCVWVKXGN-UHFFFAOYSA-N 343.384 0.536 10 10 ECCE Cc1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2)c(O)c1Br 2352645373 IZOLSQLUXKQUJY-ZJUUUORDSA-N 329.194 0.802 10 10 ECCE COc1nccnc1O[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)C1 238851852 JLWSDVZWNBQAAN-SNVBAGLBSA-N 332.316 0.585 10 10 ECCE CS(=O)(=O)[C@H]1CSCCN1C(=O)COc1ccc(N)cc1 90921575 FKFVMYGQRIZTOG-ZDUSSCGKSA-N 330.431 0.594 10 10 ECCE CC(=O)C(=O)COC(=O)c1ccc2c(c1)C[C@@H](C)N2S(C)(=O)=O 808499382 VKDNQFNQRCZITJ-SECBINFHSA-N 339.369 0.712 10 10 ECCE C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)/C=C\c1ccc(O)c(O)c1 844033282 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OABMJFCHIASJRI-JHJVBQTASA-N 331.210 0.465 10 10 ECCE Cc1ccc(CN2C[C@@H](O)[C@@H](O)[C@H]2CO)c(O)c1Br 2352688705 VPBXHRIICDOSKP-BREBYQMCSA-N 332.194 0.361 10 10 ECCE COC(=O)/C=C/c1ccc(N2CCO[C@H](C(N)=O)C2)c([N+](=O)[O-])c1 50956006 RJRKDUMNUDNLRV-LQPUYASZSA-N 335.316 0.472 10 10 ECCE C[C@@](O)(CNCc1cc([N+](=O)[O-])ccc1O)CN1CCOCC1 174484732 DVCVEKXWHNIPKH-OAHLLOKOSA-N 325.365 0.473 10 10 ECCE COCC[C@H](C)NC(=O)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 827779608 JCAKFTNSOVZQHF-KBPBESRZSA-N 349.431 0.931 10 10 ECCE COc1ccc(CNC(=O)CC2(n3cnnn3)CCOCC2)c(O)c1 846951065 UWJVYKZTMJGMKM-UHFFFAOYSA-N 347.375 0.600 10 10 ECCE COC(=O)[C@@]1(OC)CCN(CC(=O)NCc2ccc(N(C)C)cc2)C1 859557218 MUSDEUTVEQEJFS-GOSISDBHSA-N 349.431 0.633 10 10 ECCE COc1ccc(N2CC[C@H](CNC(=O)C3CS(=O)(=O)C3)C2)cc1 868954719 BUIJWKQDCQDMPH-GFCCVEGCSA-N 338.429 0.682 10 10 ECCE O=C(CNCc1ccccc1)N[C@H](Cc1ccc(O)c(O)c1)C(=O)O 692464497 ACYBDAOJTMDNTJ-CQSZACIVSA-N 344.367 1.000 10 10 ECCE COC(=O)[C@@H]1C[C@@H]1CNC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 1331869103 KPCQHVRYVAORNF-UXIGCNINSA-N 347.415 0.855 10 10 ECCE COc1ccc(CN[C@H](C)CNC(=O)c2cn(C)c(=O)n2C)cc1C 1265870669 UNRQBVQBSWWAIZ-CYBMUJFWSA-N 346.431 0.949 10 10 ECCE COc1ccc(CN[C@@H](C)CCNC(=O)c2nnn(C)n2)cc1C 1281740820 CHDUBYDBURCMOM-LBPRGKRZSA-N 332.408 0.825 10 10 ECCE COC(=O)c1cccn(CC(=O)NCc2c(O)cccc2F)c1=O 1456029393 NFKGUVRDUHIVNY-UHFFFAOYSA-N 334.303 0.796 10 10 ECCE COC(=O)[C@@H]1OCC[C@@H]1CNC(=O)NCc1cccc(OC)c1O 1471106579 VWJBVOJWZYQZCX-BXUZGUMPSA-N 338.360 0.778 10 10 ECCE CCS(=O)(=O)N(C)CC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 1611430897 ICVNHHHJMOSQKJ-JTQLQIEISA-N 330.406 0.427 10 10 ECCE C[C@H]1C(=O)NC(=O)CN1c1ccc(CN)c(Br)c1F 231840244 GCUSCSYYBJURAT-LURJTMIESA-N 330.157 0.898 10 10 ECCE CC(C)(C)OC(=O)N[C@H]1COC[C@@H]1C(=O)C(=O)C[C@H]1C[C@H](N)C1 1980370403 QRJZQIFSHPSWTF-BJDJZHNGSA-N 326.393 0.792 10 10 ECCE CN(C(=O)OC(C)(C)C)C1(C(=O)C(=O)C[C@H]2C[C@H](N)C2)COC1 1981659600 PANLZAMGQASNAD-XYPYZODXSA-N 326.393 0.888 10 10 ECCE CC(C)(C)OC(=O)N1CC(=O)NC[C@@H]1C(=O)N1CC[C@H](N=[N+]=[N-])C1 2010404958 VZXMBTWFYAIHKL-VHSXEESVSA-N 338.368 0.633 10 10 ECCE O=c1oc2c(O)c(O)c(O)c3c(=O)oc4c(O)c(O)c(O)c1c4c23 13408530 JKULOEQBHREGAP-UHFFFAOYSA-N 334.192 0.724 10 10 ECCE biogenic CN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CCN=C2C1=NNN2C 816822208 CMPOBNSQQRYXMZ-CQSZACIVSA-N 328.420 0.935 10 10 ECCE CO[C@H](C(=O)O)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 901960362 FESPJUJEGIGDLC-AWEZNQCLSA-N 340.351 0.503 10 10 ECCE O=C(NCc1cc(Cl)ccc1O)C1(n2cnnn2)CCOCC1 855023457 ZCJRJDWVKMEQTG-UHFFFAOYSA-N 337.767 0.854 10 10 ECCE COc1ccc(N2CC[C@@H](NC(=O)C3=NN(C)C(=O)CC3)C2)cc1 855228403 BTMPAVJCXGIHFT-GFCCVEGCSA-N 330.388 0.998 10 10 ECCE CN1CC[C@@H](C(=O)NCc2ccc3cccnc3c2O)S1(=O)=O 862024526 ACKYAUUNWCWSRR-LBPRGKRZSA-N 335.385 0.591 10 10 ECCE COC(=O)/C=C\c1ccc(N2CCN(C)[C@@H](CO)C2)c([N+](=O)[O-])c1 863982490 PBCPWJHNHAYMLE-RYWCDNDXSA-N 335.360 0.894 10 10 ECCE CCN1CC[C@@H]1CNC(=O)C(=O)NCc1ccc(N(C)C)cc1C 897791346 KCSNKPRHUDJJGB-MRXNPFEDSA-N 332.448 0.888 10 10 ECCE C[C@@H](c1cc(Br)ccc1O)N(CC(N)=O)CC(N)=O 134018463 ZPUINCZRMPZMOW-ZETCQYMHSA-N 330.182 0.488 10 10 ECCE C[C@H](NC(=O)C(=O)NCC[C@H]1CNC(=O)C1)c1ccc(N(C)C)cc1 1334162726 UIAQYFMQAIUEFI-QWHCGFSZSA-N 346.431 0.572 10 10 ECCE COc1ccc(CNC[C@H](O)CNC(=O)C23CCN(CC2)C3)cc1C 1732660470 CYTFJCLAQAQDHZ-INIZCTEOSA-N 347.459 0.666 10 10 ECCE COc1ccc(N(C)CCN(C)C(=O)NCc2nc(N)n[nH]2)cc1 1684638026 POZGBEMPSFPWMP-UHFFFAOYSA-N 333.396 0.673 10 10 ECCE C[C@H](NC(=O)NCCOCCS(N)(=O)=O)c1ccccc1O 1683177210 UJYAODDMLPJDMI-JTQLQIEISA-N 331.394 0.058 10 10 ECCE COCCN(C(=O)c1cc(O)c(O)c(O)c1)[C@H]1CCS(=O)(=O)C1 1866303497 ZRTBLJRCDKPKAB-JTQLQIEISA-N 345.373 0.079 10 10 ECCE O=C(N[C@H](COCc1ccccc1)C(=O)O)c1cc(O)nc(O)c1 1946566795 LZNGFXFJDVAASL-GFCCVEGCSA-N 332.312 0.893 10 10 ECCE COC(=O)CN(C)S(=O)(=O)NCc1cnc(SC)s1 2269123203 GSGCYLVUTHWDMQ-UHFFFAOYSA-N 325.437 0.304 10 10 ECCE CCN1C(=O)NC(=O)/C(=C/c2cn(CC(N)=O)c3ccccc23)C1=O 8574659 QYHDLCTUMYBUEI-GHXNOFRVSA-N 340.339 0.608 10 10 ECCE O=C(N1CCNCC1)N1CCN(Cc2cc3c(cc2O)OCO3)CC1 530241204 DEOVPERQYHVTKN-UHFFFAOYSA-N 348.403 0.264 10 10 ECCE CC(=O)C(=O)COC(=O)[C@](C)(O)Cn1cc(C(F)(F)F)ccc1=O 808546098 AGUNPGGQUYEZGN-CYBMUJFWSA-N 349.261 0.319 10 10 ECCE CN(C)c1ccc([C@@H](N)CNC(=O)c2cc(C(N)=O)cn2C)cc1 832267315 QGDPRBSAJPHARM-AWEZNQCLSA-N 329.404 0.620 10 10 ECCE CN1CCN(c2ccc(CNC(=O)[C@@H]3CSC(=O)N3)cc2)CC1 918871604 FLDXLGLWSJYHLD-AWEZNQCLSA-N 334.445 0.880 10 10 ECCE CN(C)c1ccc([C@H](N)CNC(=O)c2nnn(C(C)(C)C)n2)cc1 852792006 OULFHTJCAOONFI-CYBMUJFWSA-N 331.424 0.924 10 10 ECCE CNS(=O)(=O)c1ccc(C(=O)NCc2cccc(O)c2O)cn1 1176576235 HWVYORJADAVMNJ-UHFFFAOYSA-N 337.357 0.331 10 10 ECCE COC(=O)[C@H]1CCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)[C@@H]1C 1329493995 KAWPUFZSHQPSNT-PWSUYJOCSA-N 332.356 0.644 10 10 ECCE CC(=O)N1CCC[C@@H](CNC(=O)C(=O)N2Cc3cccc(O)c3C2)C1 1349274849 WYPCMGKDCXOCCY-ZDUSSCGKSA-N 345.399 0.609 10 10 ECCE CNC(=O)C1(C(=O)NC[C@@H](CO)NCc2ccc(OC)c(C)c2)CC1 1283818589 XKEJYDIBWAFMTC-AWEZNQCLSA-N 349.431 0.097 10 10 ECCE COc1ccc(CN[C@@H](CO)CNC(=O)c2cn(C)nc2C)cc1C 1676510467 FXYJQIWBWZKDBB-OAHLLOKOSA-N 346.431 0.926 10 10 ECCE Cc1cc(O)n2ncc(C(=O)N3CCC[C@@]4(CNC(=O)C4)C3)c2n1 2065115523 NXALDMDVYYSQQQ-MRXNPFEDSA-N 329.360 0.486 10 10 ECCE C[C@@H](N)c1ccc(N2CC3(C2)OC[C@@H](O)[C@@H]3O)cc1Br 2183626991 MYHGZPGJSZPKKR-WQHBLYJGSA-N 343.221 0.780 10 10 ECCE NCc1cc(F)c(N2C[C@@H](O)[C@@H](O)[C@H]2CF)cc1Br 2333236858 IPTPVRLSSSRYLZ-UTUOFQBUSA-N 337.164 0.927 10 10 ECCE COc1ccc(N2CCN(C(=O)[C@H]3CSCC(=O)N3)CC2)cc1 74716475 JQNXJCIKOGQZNW-CQSZACIVSA-N 335.429 0.575 10 10 ECCE CC(C)C[C@]1(C(=O)O)N[C@H](c2ccc(O)c(O)c2)[C@@H]2C(=O)NC(=O)[C@@H]21 248202259 WWGKLDZBGPSZSJ-ZFRZLUBXSA-N 348.355 0.500 10 10 ECCE COCC[C@@H](C)NC(=O)C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 827779611 JCAKFTNSOVZQHF-ZIAGYGMSSA-N 349.431 0.931 10 10 ECCE CNS(=O)(=O)C[C@@H]1CCCN(C(=O)c2cccc(O)c2O)C1 863824144 BIGNAAVSQYNZTH-SNVBAGLBSA-N 328.390 0.499 10 10 ECCE CC(=O)c1cn(C2CN(C(=O)/C=C\c3ccc(O)c(O)c3)C2)nn1 1158905342 HLQAPJONMPRVJB-HYXAFXHYSA-N 328.328 0.989 10 10 ECCE CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)NCc1ccccc1O 269733388 VNADVZFTEGVJOA-NSHDSACASA-N 337.376 0.777 10 10 ECCE CC[C@H](C)N1C(=O)C(=CNCCCn2ccnc2)C(=O)NC1=S 2296136212 VCPYPEKSZITYJJ-NSHDSACASA-N 335.433 0.789 10 10 ECCE CN(C)c1ccc([C@@H]2CC(c3c(O)n(C)c(=O)n(C)c3=O)=NN2)cc1 101761615 PQLOSHFYHMXABD-LBPRGKRZSA-N 343.387 0.294 10 10 ECCE COc1ccc(N2C[C@@H](O)[C@@H](O)[C@@H]2CO)c(OC)c1Br 2358639737 ADAGZNAVYVNWPS-SBMIAAHKSA-N 348.193 0.369 10 10 ECCE CN(Cc1ccc(N2CCOCC2)cc1)C[C@@H](O)CN1CCCC1=O 732408645 VQBQFMOIVHJWJM-GOSISDBHSA-N 347.459 0.938 10 10 ECCE COC(=O)Cn1cc(COc2ccc(N(C)C)c(C(=O)OC)c2)nn1 905101924 ZLNIOOFLWWABFC-UHFFFAOYSA-N 348.359 0.883 10 10 ECCE COc1ccc(N2CC[C@H](CNS(=O)(=O)C3CNC3)C2)cc1 923650407 MBUCTUMSHZGABM-GFCCVEGCSA-N 325.434 0.413 10 10 ECCE O=C(CN1CCCC2(CC2)S1(=O)=O)NCc1c(O)cccc1O 1304054107 DYNBTHMSVGHLSU-UHFFFAOYSA-N 340.401 0.672 10 10 ECCE CCNC(=O)CN1CC(NC(=O)c2ccc(N=NC(N)=O)cc2)C1 1318093873 VISUCYGHDMTZER-UHFFFAOYSA-N 332.364 0.399 10 10 ECCE C[C@]12CN(C(=O)/C=C\c3ccc(O)c(O)c3)C[C@]1(C)C(=O)NC2=O 1170944608 VIRAJFRQOVJZCX-LYYDLTQRSA-N 330.340 0.622 10 10 ECCE COc1ccc(CN[C@@H](C)CNC(=O)CS(C)(=O)=O)cc1C 1714214004 GWAVGXHVUODVPZ-LBPRGKRZSA-N 328.434 0.643 10 10 ECCE COc1ccc(N2CCN(C(=O)c3n[nH]c(O)n3)CC2)c(OC)c1 1641788261 ZKFYCBRATYLBTQ-UHFFFAOYSA-N 333.348 0.490 10 10 ECCE NS(=O)(=O)c1ccc(CNC(=O)c2cc(O)c(O)c(O)c2)cc1 1865875623 BWTRTSVKIRGBRM-UHFFFAOYSA-N 338.341 0.381 10 10 ECCE NCc1ccc2c(c1)CCCN2CC(=O)N[C@H]1CCS(=O)(=O)C1 1118196695 HAQPEGMIEFHMPF-AWEZNQCLSA-N 337.445 0.201 10 10 ECCE Cc1ccc(N2C(=O)NC(=O)C(=CNN3CCOCC3)C2=O)cc1C 2296125939 VSVXRWYWRKJRTM-UHFFFAOYSA-N 344.371 0.607 10 10 ECCE NCc1ccc(N2C[C@@H]3C[C@H]2[C@H](O)[C@@H]3O)c(F)c1Br 2329332813 PBCMRYHYWNZFEZ-OBRLSWLKSA-N 331.185 0.977 10 10 ECCE CC(=O)C(=O)COC(=O)/C=C/c1ccc(NS(C)(=O)=O)cc1 808484410 COPHJKJZHFOQHL-VMPITWQZSA-N 325.342 0.773 10 10 ECCE Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C(=O)N[C@H]1CCNC1=O 829678527 LQGYLTAAPJVRRN-WFASDCNBSA-N 346.431 0.113 10 10 ECCE Cn1cc(N2CC[C@H](NC(=O)NCc3c(O)cccc3F)C2=O)cn1 919263604 WRKHFLNXBORNES-ZDUSSCGKSA-N 347.350 0.870 10 10 ECCE O=C(NCc1cc(Br)ccc1O)NC[C@@H]1CNCCO1 842011913 SCECASMZQZJQFV-NSHDSACASA-N 344.209 0.942 10 10 ECCE COc1ccc(N2CC[C@H](NC(=O)NC[C@@H]3CNCCO3)C2)cc1 851665620 CLQMZSMYEYWGLR-BBRMVZONSA-N 334.420 0.562 10 10 ECCE CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)c3c(F)ccc(O)c3O)C[C@@H]12 857327907 HLJJBUCNRGRSKX-XROYCOCOSA-N 345.348 0.121 10 10 ECCE COc1cccc([C@H](C)NC[C@@]23COCCN2C(=O)COC3)c1O 866554946 PAZYCNDHZPRLAJ-SJCJKPOMSA-N 336.388 0.679 10 10 ECCE COc1ccc(O)c(CNC(=O)c2cc(N3CCOCC3)ncn2)c1 866767393 QYKFZKWAYHKHDB-UHFFFAOYSA-N 344.371 0.957 10 10 ECCE O=C(NC[C@@H]1COC2(CCOCC2)O1)c1c(F)ccc(O)c1O 1654451212 WNFKDONKJUYYDM-SECBINFHSA-N 327.308 0.889 10 10 ECCE CC(C)NCc1ccc(N2CC(O)(C(N)=O)C2)c(Br)c1 1915250321 NHSMVJWICLDUIA-UHFFFAOYSA-N 342.237 0.984 10 10 ECCE Cc1cc(O)n2ncc(C(=O)N3CCC(O)(CN(C)C)CC3)c2n1 2062635300 GATZJMXXMRFCAR-UHFFFAOYSA-N 333.392 0.272 10 10 ECCE CCN(C(=O)C(=O)NCc1ccc(N(C)C)cc1)[C@H]1CCN(C)C1 826706074 FTGZPAFWIHZAGZ-INIZCTEOSA-N 332.448 0.921 10 10 ECCE O=C(NCc1ccccc1O)N[C@@H]1CCN(C2CCOCC2)C1=O 747584381 KHDLAFRFLVTQSA-CQSZACIVSA-N 333.388 0.971 10 10 ECCE O=C(CN1CCCS1(=O)=O)NCc1ccc2cccnc2c1O 862029324 VIMKRJBVXDZBEQ-UHFFFAOYSA-N 335.385 0.592 10 10 ECCE CN1CCN(c2ccc(CNC(=O)[C@@H]3CC[C@H](C(N)=O)C3)cc2)CC1 893608556 WJCFDRIRYMYQPP-JKSUJKDBSA-N 344.459 0.956 10 10 ECCE COc1cccc(CNC(=O)c2cn(C[C@@H]3CNC(=O)O3)nn2)c1O 1137473442 JWJSOHQMZGBNHC-JTQLQIEISA-N 347.331 0.031 10 10 ECCE Cn1c(O)nc(N2CC[C@@H](NC(=O)c3cc(O)cs3)C2)cc1=O 1179237268 WCKRZHCLSCSCPJ-MRVPVSSYSA-N 336.373 0.262 10 10 ECCE COc1ccc(CNC[C@@H](O)CNC(=O)[C@@]2(F)CCOC2)cc1C 1482761127 HBKZRNNCEHINIQ-RHSMWYFYSA-N 340.395 0.699 10 10 ECCE COc1ccc(CNC(=O)c2coc(CS(C)(=O)=O)n2)c(O)c1 1568097687 NSEAQXGYDAKRJP-UHFFFAOYSA-N 340.357 0.863 10 10 ECCE COc1ccc(CNC[C@@H](O)CN(C)C(=O)[C@H](O)C(C)C)cc1C 1734514789 YPKDJQQIPBQVTR-NVXWUHKLSA-N 338.448 0.929 10 10 ECCE COC(=O)[C@@H]1CCCN(CC(=O)NCc2cccc(O)c2O)C1=O 1644710623 GOEUHHDOTKMXRJ-LLVKDONJSA-N 336.344 0.126 10 10 ECCE CCS(=O)(=O)c1ccc(O)c(N=c2ccc(C(=O)OC)n[nH]2)c1 1859832540 XNDUFXLXOXJVFW-UHFFFAOYSA-N 337.357 0.928 10 10 ECCE CN(C)c1ccc([C@H](N)CNC(=O)[C@@]23C[C@H]4C[C@@H](C(=O)N2)[C@H]3C4)cc1 846663990 UGCPDMBVWCFRGV-NFYRJLKCSA-N 342.443 0.783 10 10 ECCE CC[C@@H]1NCC[C@H]1NC(=O)C(=O)NCc1ccc2c(c1)CCCN2C 861749733 IDPPQRNDTQULML-JKSUJKDBSA-N 344.459 0.942 10 10 ECCE COCCN(CCF)C(=O)C(=O)NCc1ccc(N(C)C)cc1 1327854690 GHTFUVNCJDODBO-UHFFFAOYSA-N 325.384 0.813 10 10 ECCE COc1ccc(CNC[C@H](C)N(C)C(=O)CCNC(N)=O)cc1C 1715378919 YBVCAINVPITEOA-ZDUSSCGKSA-N 336.436 0.999 10 10 ECCE CCS(=O)(=O)N(C)CC(=O)NCc1ccc2cccnc2c1O 1570531813 POUQUPKNTUUAMM-UHFFFAOYSA-N 337.401 0.838 10 10 ECCE O=C(Cc1ccc(O)c(O)c1)NCC[C@@]1(O)C(=O)Nc2ccccc21 1651173242 VPCYCLUXLLSEDJ-SFHVURJKSA-N 342.351 0.987 10 10 ECCE CCOCC(=O)NC[C@@H](C)NC(=O)c1cc(OC)nc(OC)c1 1758770383 FZYDSHCQGMCHAX-SNVBAGLBSA-N 325.365 0.370 10 10 ECCE NCc1ccc(N2CC3(C2)OC[C@H](O)[C@H]3O)c(Br)c1 2127250270 IAZGSUPMRCYPBL-NWDGAFQWSA-N 329.194 0.219 10 10 ECCE CNCc1ccc(N2CCC[C@](O)(C(N)=O)C2)cc1Br 312268466 ICATZFIFPVWBLD-CQSZACIVSA-N 342.237 0.985 10 10 ECCE NCc1ccc(N2CC[C@](O)(CO)[C@H](O)C2)cc1Br 2225730209 SDOPHONBYVFNQT-OLZOCXBDSA-N 331.210 0.202 10 10 ECCE COc1ccc(N2C(=O)C(=CNCCN(C)C)C(=O)NC2=S)cc1 2296307057 JNNBXYMLJROHRQ-UHFFFAOYSA-N 348.428 0.478 10 10 ECCE COC(=O)C1=C(C)N(C)C(=O)/C1=C/c1ccc(OCC(N)=O)cc1 33385260 UNDMVVJHCUYOER-MDWZMJQESA-N 330.340 0.853 10 10 ECCE CS(=O)(=O)N1CC[C@@H](COC(=O)/C=C/c2ccc(O)c(O)c2)C1 801291988 XVHRBJKGADTWJU-OGOUPESXSA-N 341.385 0.936 10 10 ECCE COc1cc(O)c(CNCC[C@H]2CNCCS2(=O)=O)cc1OC 903967290 BSNLEKUCGOHLND-LBPRGKRZSA-N 344.433 0.276 10 10 ECCE COCC1(CNC(=O)c2cc(NS(C)(=O)=O)ccc2O)CC1 848297046 SZPDSHPYANDAEQ-UHFFFAOYSA-N 328.390 0.920 10 10 ECCE COc1ccc(N2CC[C@H](NC(=O)NC3COCCOC3)C2)cc1 852448142 GRCOMGDQVPKLLY-ZDUSSCGKSA-N 335.404 0.989 10 10 ECCE COc1ccc(N2CC[C@@H](NC(=O)N3C[C@@H](O)C[C@H]3CO)C2)cc1 854299866 SSTDZSFVFKBDBS-SNPRPXQTSA-N 335.404 0.411 10 10 ECCE COc1ccc(N2CC[C@@H](NC(=O)C(=O)NC3CCOCC3)C2)cc1 1327946821 OJWNAMKYZYWTEH-CQSZACIVSA-N 347.415 0.685 10 10 ECCE O=S1(=O)C[C@@H](O)[C@H](NCc2cc(Cl)cc(Cl)c2O)C1 895687795 ZJMQAZYWJFTKNM-NXEZZACHSA-N 326.201 0.947 10 10 ECCE NC(=O)C1CCN(c2ccc(CNC(=O)NCCCCO)cc2)CC1 1479344454 SLQZGSVFIMVPNP-UHFFFAOYSA-N 348.447 0.960 10 10 ECCE CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](O)[C@@H]1C(=O)NCCCN=[N+]=[N-] 2012237952 MRYWISHMFFJELF-AXFHLTTASA-N 343.384 0.534 10 10 ECCE Cc1cc(O)n2ncc(C(=O)N3CCO[C@]4(CCO[C@H]4C)C3)c2n1 2063988793 BUHBBXYVXQWBRT-MEDUHNTESA-N 332.360 0.763 10 10 ECCE OCc1ccc(N2CCOC[C@H]2[C@H](O)CO)c(Br)c1 2090129987 ZUMVEMKJYYLQSK-QWHCGFSZSA-N 332.194 0.500 10 10 ECCE O=C(NCc1cc(Br)ccc1O)NC[C@H]1COCCN1 529386577 LUTRTNRTAUDQBG-NSHDSACASA-N 344.209 0.942 10 10 ECCE O=C(O)c1cc(O)ccc1NS(=O)(=O)C1CCS(=O)(=O)CC1 274991154 ZDBXOYZCTQDHDV-UHFFFAOYSA-N 349.386 0.409 10 10 ECCE CC(=O)C(=O)COC(=O)/C=C\c1ccc(NS(C)(=O)=O)cc1 808484411 COPHJKJZHFOQHL-YVMONPNESA-N 325.342 0.773 10 10 ECCE COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]2CCN=C3C2=NNN3C)c1 830541110 SIJHEJFIHJKKOL-MWLCHTKSSA-N 331.376 0.802 10 10 ECCE NC(=O)CN1CCN(Cc2cc(Br)ccc2O)CC1=O 839170495 NZZOLYZPQNTNJW-UHFFFAOYSA-N 342.193 0.284 10 10 ECCE O=C(NC1CC1)C(=O)N1CCN(Cc2cc3c(cc2O)CCC3)CC1 917467402 AMUWLEQNVPGKKI-UHFFFAOYSA-N 343.427 0.804 10 10 ECCE CN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CCN(C)S1(=O)=O 843758657 UABOYHSTIQHNEM-AWEZNQCLSA-N 325.434 0.745 10 10 ECCE COc1ccc(N2CC[C@H](NC(=O)CN3CCCNC3=O)C2)cc1 855232803 UTBRRMSIHHBCRZ-ZDUSSCGKSA-N 332.404 0.805 10 10 ECCE NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)N3CC(CO)C3)cc2)C1 790238658 SQDIKUWPXRVZTI-HNNXBMFYSA-N 346.431 0.522 10 10 ECCE CC(C)(C)OC(=O)N1CC(=O)NC[C@H]1C(=O)NCCCCN=[N+]=[N-] 1963733120 VOFYUESKDKBAKD-JTQLQIEISA-N 340.384 0.929 10 10 ECCE CCOC(=O)c1cnn2c(O)cc(CN3CC[C@]34CCOC4)nc12 1325413486 HJWBKXWXKKCLIK-MRXNPFEDSA-N 332.360 0.976 10 10 ECCE 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C[C@@H]1CC[C@@H](NC(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)CN1 861805355 WFUQSCPWHGXRLL-UKRRQHHQSA-N 332.448 0.968 10 10 ECCE O=C(CC1(n2cnnn2)CCOCC1)NCc1c(O)cccc1F 1558454679 JHVGMSKGVGMTOP-UHFFFAOYSA-N 335.339 0.730 10 10 ECCE CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CCC(=O)O1 1633473363 OHBNKQIKKXEGAZ-GXFFZTMASA-N 337.328 0.394 10 10 ECCE O=C(Cc1ccc(O)c(O)c1)N1CCN(CCn2cncn2)CC1 1634356125 UWWDKKDLANVSIK-UHFFFAOYSA-N 331.376 0.076 10 10 ECCE Cc1cc(O)n2ncc(C(=O)N3CCO[C@H](c4ccnn4C)C3)c2n1 2062474779 KRTIFPQQXFDBBL-ZDUSSCGKSA-N 342.359 0.691 10 10 ECCE Cc1cc(O)n2ncc(C(=O)N3C[C@@H](C)O[C@@]4(CCOC4)C3)c2n1 2065026841 QQFUHPGAYWFWJF-BZNIZROVSA-N 332.360 0.763 10 10 ECCE C[C@@H]1CNCC[C@@H]1NC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 842266917 VHLZISTUIVPJNZ-CJNGLKHVSA-N 332.448 0.825 10 10 ECCE COc1ccc(N2CC[C@H](NC(=O)NCCOCCCN)C2)cc1 861692967 NEFNGRXZLSQWGY-AWEZNQCLSA-N 336.436 0.939 10 10 ECCE CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@H](O)c1cnc[nH]1 864633897 FVMDDOOCSWIVFM-INIZCTEOSA-N 330.388 0.938 10 10 ECCE COc1cc(NC(=O)C(=O)NCc2ccc(N(C)C)c(F)c2)nn1C 773287118 SNRKJABRZYICNS-UHFFFAOYSA-N 349.366 0.889 10 10 ECCE N[C@@H]1C(=O)Nc2cc(N3CC([N+](=O)[O-])C3)c(Br)cc21 1876147894 BJWGUVBPXJHGOW-JTQLQIEISA-N 327.138 0.866 10 10 ECCE C[C@H]1CN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C[C@@]2(CCOC2)O1 1348638249 BRASIHHMBQBQTG-KPZWWZAWSA-N 346.383 0.641 10 10 ECCE CNC(=O)[C@H](C)NC1(CNC(=O)c2ccc(N=NC(N)=O)cc2)CC1 1277259703 POYPUGQAXKSDDV-JTQLQIEISA-N 346.391 0.836 10 10 ECCE Cc1cc(N(C)C)ccc1CNC(=O)c1c[nH]nc1S(N)(=O)=O 1543310477 XYEZDURQFJGOKP-UHFFFAOYSA-N 337.405 0.362 10 10 ECCE COc1ccc(CNC[C@@H](O)CNC(=O)c2cnn(C)c2)cc1C 1715572856 ALGVUGHFHXJBJY-OAHLLOKOSA-N 332.404 0.618 10 10 ECCE COc1ccc(CNCC2(NC(=O)C(N)=O)CCOCC2)cc1C 1717266565 GOAQKTLFSXSAPU-UHFFFAOYSA-N 335.404 0.244 10 10 ECCE CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)NCc1cc(O)ccc1O 1633599222 TUEAPACVISGPJB-LBPRGKRZSA-N 340.376 0.990 10 10 ECCE COc1ccc(-n2nnnc2CN(C)CCNC(=O)[C@@H](C)OC)cc1 1663146668 RDVNVWGOKXZIPW-GFCCVEGCSA-N 348.407 0.254 10 10 ECCE COCCN1C(=O)C(=CNc2ccc3[nH]ncc3c2)C(=O)NC1=S 2040475255 DMADQLCMTXPJCN-UHFFFAOYSA-N 345.384 0.748 10 10 ECCE CC[S@@](=O)CCNC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 805620484 DEXFVIVKAZLZOD-XMMPIXPASA-N 349.456 0.564 10 10 ECCE C[C@H](NC(=O)C(=O)N1CCO[C@@H]([C@H](C)O)C1)c1ccc(N(C)C)cc1 817834026 UYMMKHWUKRILMJ-HEHGZKQESA-N 349.431 0.538 10 10 ECCE CC(=O)N1CSC[C@@H]1C(=O)N(CC(=O)O)Cc1ccccc1O 911487428 UABWMRNJJBEXTR-GFCCVEGCSA-N 338.385 0.727 10 10 ECCE Cc1ccncc1CCNC(=O)C(=O)NCCc1ccc(N)cc1 851688327 XBSHQKXWNKDULE-UHFFFAOYSA-N 326.400 0.990 10 10 ECCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CC[C@H]1CC[C@@H](C(N)=O)O1 1611430537 FCUKFJBUQLOOBF-HCKVZZMMSA-N 336.388 0.958 10 10 ECCE CCOC(=O)CC(C)(C)CC(=O)C(=O)CN(C)S(=O)(=O)CC 1623574562 RJTRLURHRBHGIQ-UHFFFAOYSA-N 335.422 0.776 10 10 ECCE CC1=C(C(=O)NCc2ccc(O)cc2O)[C@@H](C)n2nnnc2N1C 1557084879 RMAIJBCXJVSGOP-SECBINFHSA-N 330.348 0.686 10 10 ECCE CNC(=O)NCC(=O)N[C@H]1C[C@@H](NCc2ccc(OC)c(C)c2)C1 1713193970 QSJHNVUDTSMOOM-OKILXGFUSA-N 334.420 0.669 10 10 ECCE COCCO[C@@H]1COCC[C@H]1NC(=O)Cc1ccc(O)c(O)c1 1567753329 LTLNXRUUDWYSLP-IUODEOHRSA-N 325.361 0.577 10 10 ECCE COc1ccc(CN[C@H](CO)CNC(=O)c2nccc(C)n2)cc1C 1734364944 LFTJWJQGJNYKCL-HNNXBMFYSA-N 344.415 0.983 10 10 ECCE COc1ccc(CNC[C@H]2CCN(C(=O)[C@H](C)NC(N)=O)C2)cc1C 1690703758 BJTRNTRCQRFGIG-DZGCQCFKSA-N 348.447 0.999 10 10 ECCE COC(=O)C1CCN(C(=O)c2nnn(-c3ccc(N)cc3)n2)CC1 1857878714 JXLGWHZSTKRNJB-UHFFFAOYSA-N 330.348 0.270 10 10 ECCE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](NC(=O)c2ccc(O)c(O)c2)C1 2011486626 CNVPDGWMEZZNGA-GWCFXTLKSA-N 338.360 0.808 10 10 ECCE NC(=O)[C@H]1CNCCN1Cc1cc(Br)cc(F)c1O 715769445 KNGLMXXJJIOJJS-SNVBAGLBSA-N 332.173 0.553 10 10 ECCE Cn1nc(Br)nc1N(CC(N)=O)Cc1ccc(N)cc1 2173171122 ZMKPKOHOPTYUFP-UHFFFAOYSA-N 339.197 0.652 10 10 ECCE Oc1ccc(CCNC(=S)NCCN2CCOCC2)cc1O 197635018 XIRWJDFLTXLTKE-UHFFFAOYSA-N 325.434 0.437 10 10 ECCE COc1ccc([C@H]2[C@H](C(=O)OCC(=O)C(C)=O)CC(=O)N2C)cc1 808518947 SQOIMVVVUVIIDD-CJNGLKHVSA-N 333.340 0.916 10 10 ECCE CC(=O)C(=O)COC(=O)[C@@H]1CCCN1C(=O)OCC(F)(F)F 808514245 XOZLQYOORXCGNB-QMMMGPOBSA-N 325.239 0.851 10 10 ECCE COc1ccc(N2CCN(C(=O)[C@@H](O)C(C)(C)O)CC2)cc1F 900997542 GSKSFPZKAFSKOO-CQSZACIVSA-N 326.368 0.615 10 10 ECCE CN(C)c1ccc(/C=C\CNC2CN(S(=O)(=O)N(C)C)C2)cc1 858313203 BLUFCLXSDFYULX-WAYWQWQTSA-N 338.477 0.846 10 10 ECCE CCS(=O)(=O)CC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 855230117 NFRYAKQQDFHUCO-GFCCVEGCSA-N 326.418 0.825 10 10 ECCE COC1(C(=O)NCc2ccc3c(c2)CCCN3C)CS(=O)(=O)C1 931152823 ZOWUJVSJIGJGKK-UHFFFAOYSA-N 338.429 0.499 10 10 ECCE COCCCOC1CN(C(=O)C(=O)N(C)Cc2ccccc2O)C1 1325838095 XXGWHIODAUNAJN-UHFFFAOYSA-N 336.388 0.615 10 10 ECCE CN(CCCN[C@H]1CCNC1=O)C(=O)c1ccc(N=NC(N)=O)cc1 1322853553 BAQAETJBYFGZHE-ZDUSSCGKSA-N 346.391 0.789 10 10 ECCE C[S@@](=O)C1CN(c2cc3c(cc2Br)[C@H](N)C(=O)N3)C1 2115313497 IACYNNBUUSMSOB-JEOXALJRSA-N 344.234 0.968 10 10 ECCE COc1cccc(CNC(=O)c2nc3ncc(CCO)cn3n2)c1O 1622779399 PFMOSAHREKWBFO-UHFFFAOYSA-N 343.343 0.303 10 10 ECCE Nc1nnn(CC(=O)NCc2cccc(Br)c2O)n1 1640089009 XUEZEIDGFVTBNW-UHFFFAOYSA-N 327.142 0.040 10 10 ECCE COc1cc(C(=O)N[C@H](C)CNC(=O)[C@H]2CCOC2)cc(OC)n1 1688127458 DEUUKIOOSIJGRL-MNOVXSKESA-N 337.376 0.370 10 10 ECCE CCN1CCN([C@@H](C)CNC(=O)c2cnn3c(O)cc(C)nc23)CC1 2065053734 GDHGGGWAFOZWKI-ZDUSSCGKSA-N 346.435 0.499 10 10 ECCE NC(=O)[C@@H]1CCN1c1cc2c(cc1Br)[C@H](O)C(=O)N2 2089370337 VGEAPPGWGFKWJU-WPRPVWTQSA-N 326.150 0.499 10 10 ECCE CCCCN1C(=O)NC(=O)C(=CN[C@H](CCSC)C(=O)O)C1=O 2296937125 UCUAATNSIGAMGO-SNVBAGLBSA-N 343.405 0.545 10 10 ECCE CN(Cc1ccc(N2CCOCC2)cc1)Cn1nnn(C2CC2)c1=O 808136158 DSTZBDFOSMIPBD-UHFFFAOYSA-N 344.419 0.701 10 10 ECCE CCCN(Cc1ccccc1O)C(=O)C(=O)N1CC[C@@H](C(=O)NC)C1 817764296 SYYXJGHFYDYRDP-CQSZACIVSA-N 347.415 0.725 10 10 ECCE COc1cccc(CNS(=O)(=O)C[C@H](OC)[C@@H]2CCOC2)c1O 849376302 OQYLYXKWWJAVPS-OCCSQVGLSA-N 345.417 0.872 10 10 ECCE COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCN(C)C3=O)C2)cc1 852135600 UMUBEFSCZDFPHJ-WFASDCNBSA-N 332.404 0.804 10 10 ECCE NC(=O)C1CCN(c2ccc(CNC(=O)Cc3cnc[nH]3)cc2)CC1 1178038774 GYAOACLCDNKYCN-UHFFFAOYSA-N 341.415 0.970 10 10 ECCE COc1ccc(CNCCN(C)C(=O)CCS(C)(=O)=O)cc1C 1267391727 OWGSVMPNOKZBKD-UHFFFAOYSA-N 342.461 0.986 10 10 ECCE O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)N1CC(CO)C1 1635996945 SGURPFUIMYLXAE-UHFFFAOYSA-N 341.358 0.935 10 10 ECCE COc1ccc(CN[C@H](C)CNC(=O)[C@@H]2CN(C)C(=O)N2)cc1C 1662304510 YFWJXCYMMLMVOB-OCCSQVGLSA-N 334.420 0.622 10 10 ECCE Nc1ccc(NC(=O)CN2CC(CNC(=O)C(F)(F)F)C2)cc1 1999437985 UXGCIVCIALYEOW-UHFFFAOYSA-N 330.310 0.818 10 10 ECCE CC(=O)N[C@H]1[C@H](O)[C@@H]2OC(C)(C)OC[C@@H]2O[C@H]1OCCN=[N+]=[N-] 2037797771 RXBZMDAVXOKPHD-KKJSVHSVSA-N 330.341 0.055 10 10 ECCE CO[C@@H]1CN[C@@H](C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)C1 187894626 LAMCJHNPYYUFRL-DLBZAZTESA-N 333.432 0.859 10 10 ECCE CC(=O)C(=O)COC(=O)c1nnn(-c2cccc([N+](=O)[O-])c2)c1C 808516856 NGBUISLKWYRBGY-UHFFFAOYSA-N 332.272 0.799 10 10 ECCE COc1ccc(N2CC[C@H](NC(=O)C(=O)N[C@@H](CN)C3CC3)C2)cc1 851688943 HQIRTXABRMNNQT-BBRMVZONSA-N 346.431 0.244 10 10 ECCE COc1ccc(N2CC[C@H](NC(=O)Cn3nc(C)n(C)c3=O)C2)cc1 855227572 YCOWQDICMCKFPA-ZDUSSCGKSA-N 345.403 0.294 10 10 ECCE COc1ccc(CNC(=O)N[C@@H]2CCc3nnnn3CC2)c(O)c1 1252004575 MUQQQJPKLRBLNU-LLVKDONJSA-N 332.364 0.592 10 10 ECCE COc1ccc(CNC[C@@H](O)CNC(=O)c2c(C)cnn2C)cc1C 1716099077 PHQNPZHGTUAAKO-OAHLLOKOSA-N 346.431 0.926 10 10 ECCE O=C(Cc1ccc(O)c(O)c1)NCc1ccc(-n2cncn2)nc1 1624498733 HIEGTNNQGYDXGA-UHFFFAOYSA-N 325.328 0.932 10 10 ECCE CN(C)CC(=O)N1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1 1624751498 ZYVHVIUPLCQFTG-UHFFFAOYSA-N 346.391 0.695 10 10 ECCE Cc1cc(O)n2ncc(C(=O)N3CCC(N4CCCC4=O)CC3)c2n1 2063474418 NDGYXHYOFJBRKC-UHFFFAOYSA-N 343.387 0.970 10 10 ECCE O=C1CN(c2ccc(CO)cc2Br)C[C@@H]2COCCN12 2185862856 DWCQZMJWFIMVFR-LLVKDONJSA-N 341.205 0.989 10 10 ECCE CC(C)(C)OC(=O)N1[C@H](COc2nnc(=N)[nH]n2)C[C@H]2OCC[C@H]21 2213786729 BOKDMXDIBUQJIT-IVZWLZJFSA-N 338.368 0.225 10 10 ECCE O=C(O)C[C@@H](N/C=C1/C(=O)N(c2ccccc2)C(=O)N=C1O)C(=O)O 102715696 DBESDXWFLZKGOX-TTZKWOQHSA-N 347.283 0.511 10 10 ECCE C[C@@H](Cc1ccc(O)c(O)c1)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 170245298 YTLNEWCNVQXEFW-JQWIXIFHSA-N 327.402 0.922 10 10 ECCE CC[C@H](C)[C@]1(C(=O)O)N[C@H](c2ccccc2O)[C@@H]2C(=O)NC(=O)[C@H]21 248193684 NJDRMLYAIJGCKH-RRTKHIPDSA-N 332.356 0.795 10 10 ECCE NC(=O)CC1CN(c2cc3c(cc2Br)[C@H](N)C(=O)N3)C1 723180675 BQIBROYRYRHRNY-LBPRGKRZSA-N 339.193 0.713 10 10 ECCE C[C@H]1CCNC[C@@H]1NC(=O)C(=O)NCCCSc1nccs1 842091447 CUNAWDYEENNJBR-QWRGUYRKSA-N 342.490 0.856 10 10 ECCE C[C@H](OC(=O)c1cccc(O)c1O)C(=O)N(C)CC(=O)NC1CC1 758571374 CZTIBNJLGSHNHG-VIFPVBQESA-N 336.344 0.380 10 10 ECCE Cc1cn(C)nc1NC(=O)C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 850434314 WWKANCGTZIAMEL-JTQLQIEISA-N 332.360 0.826 10 10 ECCE COc1ccc(N2CC[C@H](NC(=O)NCc3nnn(C)n3)C2)cc1 852284692 RGEPPILESPAERO-NSHDSACASA-N 331.380 0.297 10 10 ECCE COc1ccc(N2CC[C@H](NC(=O)NC[C@@H]3COCCO3)C2)cc1 851995126 MHUNJVAANBYAAD-XJKSGUPXSA-N 335.404 0.989 10 10 ECCE Cc1nc(CN2CCN(C(=O)c3ccc(C)c(O)c3O)CC2)n[nH]1 780944328 LXOJHLAKUPXGIS-UHFFFAOYSA-N 331.376 0.791 10 10 ECCE NC(=O)C1CCN(c2ccc(CNC(=O)C3(C(N)=O)CC3)cc2)CC1 1471912212 LKRPNPMTMRICJH-UHFFFAOYSA-N 344.415 0.270 10 10 ECCE COc1ccc(CNC[C@@H](O)CNC(=O)CN2CC[C@H](C)C2)cc1C 1482766646 IPODIPWBRSOQQP-WMLDXEAASA-N 349.475 0.912 10 10 ECCE NC(=O)C1(N)CCN(Cc2cc(Br)ccc2O)CC1 1964658167 ZEOFZGHYTNRHGX-UHFFFAOYSA-N 328.210 0.933 10 10 ECCE Cc1ccc(O)c(CN2CCN(CC(=O)N3CCOCC3)CC2)c1 119976653 LWCMAOBJOOLAIR-UHFFFAOYSA-N 333.432 0.677 10 10 ECCE COCCS(=O)(=O)c1ccc(C(=O)OCC(=O)C(C)=O)cc1 808512559 PFZOKAGXSDBDKH-UHFFFAOYSA-N 328.342 0.422 10 10 ECCE COc1cnc(NC(=O)C(=O)NCc2cccc(OC)c2O)nc1 1117738871 VJMTXTHMWQHIFM-UHFFFAOYSA-N 332.316 0.454 10 10 ECCE COC(=O)/C=C\c1ccc(N2CCN(C(N)=O)CC2)c([N+](=O)[O-])c1 779426641 FLPWDHIIYDZNPQ-HYXAFXHYSA-N 334.332 0.982 10 10 ECCE C[C@]1(C2CCN(C(=O)Cc3ccc(O)c(O)c3)CC2)NC(=O)NC1=O 1136995142 VMKDKYWGIOPWOI-QGZVFWFLSA-N 347.371 0.477 10 10 ECCE CNC(=O)[C@]1(C)CCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C1 797438660 YVLNQVNHIXFIAH-OAHLLOKOSA-N 334.332 0.888 10 10 ECCE C[C@H](c1cc(Br)ccc1O)N(CC(N)=O)CC(N)=O 134018687 ZPUINCZRMPZMOW-SSDOTTSWSA-N 330.182 0.488 10 10 ECCE O=C(C(=O)N1Cc2cccc(O)c2C1)N1CCN([C@@H]2CCOC2)CC1 1351930804 NLSGBDZYYZTEBW-CQSZACIVSA-N 345.399 0.168 10 10 ECCE COCCN1CC(CCO)(NC(=O)c2ccc(N=NC(N)=O)cc2)C1 1700498402 WRYOHMVRSXYTPK-UHFFFAOYSA-N 349.391 0.662 10 10 ECCE COc1cccc(CNC(=O)NCc2nc(C(N)=O)cs2)c1O 1683970843 JAOWOVKYTYTPKA-UHFFFAOYSA-N 336.373 0.956 10 10 ECCE COCCNC(=O)C1CCN(C(=O)Cc2ccc(O)c(O)c2)CC1 1141289011 NLAJWGWVASPTBF-UHFFFAOYSA-N 336.388 0.642 10 10 ECCE Cc1cn2nnc(C(=O)N[C@H](C)Cc3ccc(O)c(O)c3)c2c(O)n1 1447559305 CLFVEAGLMQKPKS-MRVPVSSYSA-N 343.343 0.911 10 10 ECCE COc1ccc(CN[C@@H](CNC(=O)Cn2ncnn2)C(C)C)cc1C 1568451711 VGCFWTBSPREECB-HNNXBMFYSA-N 346.435 0.921 10 10 ECCE COc1ccc(CNC[C@H](O)CNC(=O)[C@H]2CCN(C)C2=O)cc1C 1732656687 ZXTFSNODSTWLSL-LSDHHAIUSA-N 349.431 0.049 10 10 ECCE NCc1cc(F)c(N2C[C@H](O)[C@@H](O)[C@H]2CF)cc1Br 2140661766 IPTPVRLSSSRYLZ-WOPDTQHZSA-N 337.164 0.927 10 10 ECCE 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10 10 ECCE NS(=O)(=O)c1ccc(F)c(C(=O)NCc2ccc(O)cc2O)c1 1630302245 UECLBAKIPRSIAP-UHFFFAOYSA-N 340.332 0.814 10 10 ECCE CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)NCCN=[N+]=[N-])[C@H](O)C1 1991838495 OUSBCVXWSGBBHN-RNCFNFMXSA-N 329.357 0.146 10 10 ECCE O=C1Nc2cc(N3C[C@H](O)C[C@@H](O)C3)c(Br)cc2[C@H]1O 2161392527 AMCKKAZXGBJCMQ-NQYJQULFSA-N 343.177 0.367 10 10 ECCE NCc1ccc(N2CCN3C(=O)NC(=O)[C@H]3C2)c(Br)c1 2171305786 WDKKKZRSFJCODB-LLVKDONJSA-N 339.193 0.648 10 10 ECCE O=C1N=C(N2CCN(CCO)CC2)S/C1=C/c1cccc(O)c1 33571408 SXWLCEVCTGDZTI-SDNWHVSQSA-N 333.413 0.972 10 10 ECCE Nc1ccc(CCNC(=O)C(=O)N2CCC[C@@](O)(C3CC3)C2)cc1 851687630 GJDMXFFVOGTWFK-SFHVURJKSA-N 331.416 0.691 10 10 ECCE COc1ccc(N2CC[C@@H](NC(=O)[C@H](O)c3cnn(C)c3)C2)cc1 855224276 JOBDVMWHMIEANG-CZUORRHYSA-N 330.388 0.857 10 10 ECCE NS(=O)(=O)c1ccc(CC(=O)NCc2cc(O)ccc2O)cc1 1153879041 BXBFHIOLIRUXBA-UHFFFAOYSA-N 336.369 0.604 10 10 ECCE CC(=O)c1cc(F)cc(CN2CC[C@@H](CS(N)(=O)=O)C2)c1O 1308127613 GJNAWVULLIJFKV-SNVBAGLBSA-N 330.381 0.844 10 10 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CC(C)(C)OC(=O)N[C@H](CO)C(=O)NCc1c(O)cccc1O 1304054159 HAECKNRVHKPICI-SNVBAGLBSA-N 326.349 0.600 10 10 ECCE CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Cn1c(O)nnc1O 1539302907 ZOTHBWZMDWVYGE-UHFFFAOYSA-N 347.375 0.185 10 10 ECCE COc1ccc(CN[C@@H](CO)CNC(=O)[C@H](C)n2cncn2)cc1C 1485989391 OJVOAEBSGBKDBL-DZGCQCFKSA-N 347.419 0.423 10 10 ECCE COc1cc(C(=O)NCc2cc(O)ccc2O)ccc1OCC(N)=O 1633595233 NJBHFFTXLROCEP-UHFFFAOYSA-N 346.339 0.901 10 10 ECCE COc1ccc(CNC[C@H](O)CNC(=O)C[C@@H]2CCOC2)cc1C 1699041987 RIGYDFAYLAJSTJ-HOTGVXAUSA-N 336.432 0.997 10 10 ECCE NCc1cc(F)c(N2C[C@H]3C[C@H]2[C@H](O)[C@@H]3O)cc1Br 2104413559 DNOOIUSPMRVPCQ-KQXJFYCDSA-N 331.185 0.977 10 10 ECCE CN(C)c1cncc(O[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)C2)n1 238876202 OCJBFLVSGUJAKN-LLVKDONJSA-N 345.359 0.642 10 10 ECCE COc1cc(N2CC(n3cc(C(N)=O)nn3)C2)c([N+](=O)[O-])cc1OC 376176435 BAMUAIFEVOATDA-UHFFFAOYSA-N 348.319 0.364 10 10 ECCE CN(C)c1ccc(CNC(=O)[C@@H]2CCN(C)S2(=O)=O)cc1F 843538295 CTCRXEKNODLVJG-ZDUSSCGKSA-N 329.397 0.542 10 10 ECCE 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O=C1N[C@@H](C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)CO1 283534804 UAOYNUNPRBBKRC-CYBMUJFWSA-N 337.351 0.511 10 10 ECCE C[C@@H]1CN(c2cc3c(cc2Br)[C@@H](N)C(=O)N3)CC(=O)N1 387259925 LAQBYSOIQZAFKS-SREIQFSDSA-N 339.193 0.726 10 10 ECCE CN(C)c1ccc2c(c1)OCCN2C(=O)Cc1c(O)ncnc1O 900894148 CJPZJMNWTIYCQA-UHFFFAOYSA-N 330.344 0.922 10 10 ECCE CN1CCCc2cc(CNC(=O)C(=O)N3CC[C@@H](F)[C@H](N)C3)ccc21 851685610 UNKVKBVXCLRWCO-HUUCEWRRSA-N 348.422 0.583 10 10 ECCE CC(C)(CNS(C)(=O)=O)NC(=O)/C=C\c1ccc(O)c(O)c1 1645053878 LOWUKGIHVJFNLM-ALCCZGGFSA-N 328.390 0.555 10 10 ECCE CN(C)c1ccc(CNC(=O)c2c[nH]nc2S(N)(=O)=O)cc1F 1583752344 NFWKHKWKZPFQAZ-UHFFFAOYSA-N 341.368 0.192 10 10 ECCE Cc1cc(O)n2ncc(C(=O)NC[C@H](C)CN3CCN(C)CC3)c2n1 2063180798 BEWAGXDCYMGKJI-LBPRGKRZSA-N 346.435 0.357 10 10 ECCE Cn1nc(Br)c(=NC(=O)Cc2ccc(O)c(O)c2)[nH]1 2343019386 OJJLKBLJCLKTBL-UHFFFAOYSA-N 327.138 0.592 10 10 ECCE COc1ccc(N2CCN(CC(=O)N[C@@H](C)C(=O)N(C)C)CC2)cc1 51231035 HOLQRXIZQMHCER-AWEZNQCLSA-N 348.447 0.410 10 10 ECCE 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1967792478 CXJUSMUETUJQCH-JTQLQIEISA-N 335.223 0.936 10 10 ECCE CC(C)(C)OC(=O)N[C@H](CC(N)=O)C(=O)N1CC[C@@H](N=[N+]=[N-])C1 1985103102 QHFROAYANXPSIT-RKDXNWHRSA-N 326.357 0.666 10 10 ECCE Nc1ccc(CCNC(=O)C(=O)N2C[C@@H]3CCC[C@]3(CO)C2)cc1 861777040 OSJUWFKOJMRALX-KBXCAEBGSA-N 331.416 0.549 10 10 ECCE COc1ccc(N2CCN(CCNC(=O)C(=O)N3CCC3)CC2)cc1 1321999026 CERFEGMMQGEPQI-UHFFFAOYSA-N 346.431 0.166 10 10 ECCE NS(=O)(=O)c1sccc1C(=O)NCc1cccc(O)c1O 1455317674 WOVGTNHUYBXERI-UHFFFAOYSA-N 328.371 0.737 10 10 ECCE Cn1cc(N2C[C@H](C(=O)NCc3ccc(O)cc3O)CC2=O)cn1 1469163685 SPBBZPINPFKRBF-LLVKDONJSA-N 330.344 0.501 10 10 ECCE COc1ccc(CN[C@H]2C[C@H](NC(=O)[C@H](C)NC(N)=O)C2)cc1C 1480137301 WUFINMFUYCDHIS-UBHSHLNASA-N 334.420 0.797 10 10 ECCE Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N[C@@H](CO)C(N)=O)c1 1623846761 AWGFQAHUWXLPSF-HNNXBMFYSA-N 329.356 0.483 10 10 ECCE COc1ccc(N2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)CC2)c(OC)c1 1648344618 YTKPELFRNGGUKY-OLZOCXBDSA-N 333.388 0.474 10 10 ECCE COc1ccc(-n2nnnc2CN[C@@H](C)CNC(=O)[C@@H](C)OC)cc1 1690557819 XMEWAZIZLMVMPU-NWDGAFQWSA-N 348.407 0.300 10 10 ECCE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](C(=O)NCCN=[N+]=[N-])C1 1991996220 LYDUVYXIQALMBC-VIFPVBQESA-N 347.397 0.447 10 10 ECCE NCc1ccc(N2CC[C@](O)(C(N)=O)C2)c(F)c1Br 311604990 HVWHWAMEICBONI-GFCCVEGCSA-N 332.173 0.473 10 10 ECCE CC(=O)N1CCO[C@H](C(=O)NCc2ccc3cccnc3c2O)C1 823181481 OGBJWPSHRDLEQP-AWEZNQCLSA-N 329.356 0.804 10 10 ECCE CN1CCC[C@@](O)(CC(=O)NCc2ccc(N3CCOCC3)cc2)C1 900337144 BRFMKDMZKFIXBM-LJQANCHMSA-N 347.459 0.986 10 10 ECCE CN1C[C@H](C(=O)NCc2cc(Br)ccc2O)NC1=O 854442518 SYBCHXMTVCHJPK-SECBINFHSA-N 328.166 0.795 10 10 ECCE COc1ccc(CNC[C@H](C)N(C)C(=O)[C@@H]2CNC(=O)N2)cc1C 1268081069 PIKKBOFZUMMOJM-JSGCOSHPSA-N 334.420 0.622 10 10 ECCE NS(=O)(=O)c1sccc1C(=O)NCc1ccc(O)c(O)c1 1635959706 NLSWFAQNXHIANA-UHFFFAOYSA-N 328.371 0.737 10 10 ECCE O=C(NCc1ccc(O)c(O)c1)[C@H]1COCCN1CC(F)(F)F 1630272923 HFYUFQQEHHWHRF-SNVBAGLBSA-N 334.294 0.977 10 10 ECCE O=C(Cc1ccc(O)c(O)c1)N1CCN(CC(F)(F)CO)CC1 1640339537 VVIMGVCRDCIBMI-UHFFFAOYSA-N 330.331 0.412 10 10 ECCE COc1ccc(CN[C@@H](C)CNC(=O)c2nnc(O)nc2O)cc1C 1662273340 RUUAILSOEWLEBT-JTQLQIEISA-N 347.375 0.508 10 10 ECCE C[C@H](O)c1ccc(N2C[C@H](O)[C@H](O)[C@H]2CO)c(Br)c1 2136282596 BXHJQQPTNZDUDG-GUQKDYTMSA-N 332.194 0.405 10 10 ECCE CC(=O)c1cc(F)cc(CN2CC[C@H](NS(C)(=O)=O)C2)c1O 175681614 UTKCYGBZGLXKCL-LBPRGKRZSA-N 330.381 0.857 10 10 ECCE Nc1ccc(C[C@H]2Oc3ccccc3N(C[C@@H](O)CO)C2=O)cc1 62497419 MQFDBIOHYSIJIT-RHSMWYFYSA-N 328.368 0.959 10 10 ECCE O=[N+]([O-])c1ccc(O)c(CNCCCN2CCCS2(=O)=O)c1 729684549 ZYJYDCGOTIJMJS-UHFFFAOYSA-N 329.378 0.816 10 10 ECCE CN1CC[C@H](C(=O)NCc2ccc(N3CCCC3)cc2)S1(=O)=O 843764923 BEJCNYBWAYZVIC-OAHLLOKOSA-N 337.445 0.937 10 10 ECCE CO[C@]1(CNC(=O)N2Cc3cccc(O)c3C2)CCS(=O)(=O)C1 925799215 OACHHMOOFVEBHR-HNNXBMFYSA-N 340.401 0.621 10 10 ECCE COc1ccc(O)c(CNS(=O)(=O)N2C[C@H](C)O[C@H](C)C2)c1 751415429 OSKYRSQNMWFIAG-PHIMTYICSA-N 330.406 0.844 10 10 ECCE CC(=O)C(=O)COC(=O)c1c(I)cnn1C 796589098 HZXGYVFFNZNIJM-UHFFFAOYSA-N 336.085 0.340 10 10 ECCE COc1ccc(CNCCN(C)C(=O)c2cc(=O)n(C)cn2)cc1C 1317596772 NFIWNHKBAWLDMM-UHFFFAOYSA-N 344.415 0.959 10 10 ECCE O=C(O)c1cnn2c(O)cc(CN3CC[C@@H](Cn4ccnn4)C3)nc12 1329354480 NHLWBVOEQFOBQC-SNVBAGLBSA-N 343.347 0.247 10 10 ECCE COc1ccc(CNC[C@@H](C)N(C)C(=O)[C@H]2CNC(=O)N2)cc1C 1268081071 PIKKBOFZUMMOJM-TZMCWYRMSA-N 334.420 0.622 10 10 ECCE COc1ccc(CN[C@H](CO)CNC(=O)C[C@@H]2CCNC2=O)cc1C 1507209776 QTYBUIOLKANIRN-GJZGRUSLSA-N 349.431 0.097 10 10 ECCE CC(C)CC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)c1ccccc1O 1642830568 HXQFIGCIMXNAFL-AAEUAGOBSA-N 335.404 0.976 10 10 ECCE CN[C@H](C)c1ccc(N2CC(O)(C(N)=O)C2)cc1Br 1915249075 QWUOMNFKCYMMDX-MRVPVSSYSA-N 328.210 0.766 10 10 ECCE NCc1ccc(N2CC3(C2)OC[C@H](O)[C@@H]3O)c(F)c1Br 2183627950 VOBAIPTYZWDHAE-CABZTGNLSA-N 347.184 0.358 10 10 ECCE COc1ccc(Br)c(CN[C@H]2CCO[C@@H]2C(N)=O)c1O 2236054256 GRRHBTWJWXHPED-CABZTGNLSA-N 345.193 0.896 10 10 ECCE CCOc1ccc(N2C(=O)NC(=O)C(=CNCCN(C)C)C2=O)cc1 2296116059 SGNNGHWTYVHGCJ-UHFFFAOYSA-N 346.387 0.703 10 10 ECCE CN1C(=O)C(=Cc2cn(CC(N)=O)c3ccccc23)C(=O)NC1=S 2313656624 NBIPUFRTUREJHH-UHFFFAOYSA-N 342.380 0.383 10 10 ECCE CCN(Cc1ccc(N(C)C)cc1)C(=O)CS(=O)(=O)N(C)C 751668151 CIGWQGRIOHXUPC-UHFFFAOYSA-N 327.450 0.993 10 10 ECCE CN(C)S(=O)(=O)C1(CNC(=O)NCc2c(O)cccc2F)CC1 924048308 PFWNSMGASCJOIA-UHFFFAOYSA-N 345.396 0.755 10 10 ECCE CNS(=O)(=O)C[C@@H]1CCCN(Cc2cc3c(cc2O)OCO3)C1 862552411 YDTODFGWOIWRCT-LLVKDONJSA-N 342.417 0.882 10 10 ECCE CN(CCCO)C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 799557054 RVDOZTNXZUPZNP-OAHLLOKOSA-N 348.447 0.912 10 10 ECCE CCS[C@H]1O[C@@H](CN=[N+]=[N-])[C@H](OC(C)=O)[C@@H](O)[C@@H]1OC(C)=O 1083816695 GWSYZYKVILHVAN-KZZRWZIVSA-N 333.366 0.999 10 10 ECCE COc1cc(C(=O)NCc2ccc(O)cc2O)ccc1OCC(N)=O 1469161338 YKCUCEBMHCYSMG-UHFFFAOYSA-N 346.339 0.901 10 10 ECCE O=C(NCc1cccc(Cl)c1O)c1cnn(C[C@@H](O)CO)c1 1472317142 XBVXSFKXMFOGEJ-LLVKDONJSA-N 325.752 0.525 10 10 ECCE COC(=O)c1cccn(CC(=O)N2Cc3cccc(O)c3C2)c1=O 1650674687 LYBRTIYUDKQSOB-UHFFFAOYSA-N 328.324 0.883 10 10 ECCE CC(C)(C)OC(=O)NC1(C(N)=O)CN(C(=O)Cc2ccc(N)cc2)C1 2047098109 AIEBVIHYBBLDTC-UHFFFAOYSA-N 348.403 0.402 10 10 ECCE COc1ccc(Br)c(CN[C@@H]2CCO[C@H]2C(N)=O)c1O 2236054255 GRRHBTWJWXHPED-BXKDBHETSA-N 345.193 0.896 10 10 ECCE COC[C@H](NCc1c(Br)ccc(OC)c1O)C(N)=O 2227748663 PQHNTQXYGDEWEQ-VIFPVBQESA-N 333.182 0.753 10 10 ECCE NCc1ccc(N2C[C@H](O)[C@H](O)[C@H](CO)C2)c(Br)c1 2273651020 LVWGQAQIHZIVNQ-TVYUQYBPSA-N 331.210 0.058 10 10 ECCE CC[S@@](=O)CCNC(=O)C(=O)NCc1ccc(N(C)C)c(F)c1 803661448 BBFYJDRZKSYYTE-HSZRJFAPSA-N 343.424 0.393 10 10 ECCE CC(=O)C(=O)COC(=O)CN(C)C(=O)c1ccc(Br)o1 808507459 MWTVYCLPENLHIA-UHFFFAOYSA-N 346.133 0.815 10 10 ECCE C[C@@H](NC(=O)C(=O)N1C[C@H]2CC[C@H]1CN2)c1ccc(N(C)C)cc1 817910027 HVUSRFPGVMKLJI-XPKDYRNWSA-N 330.432 0.893 10 10 ECCE COc1cc(N(C)C[C@H](O)CN2CCOCC2)cc(OC)c1OC 741807106 UXHLWVFXQFTPFJ-AWEZNQCLSA-N 340.420 0.842 10 10 ECCE Cn1ccc(=O)n1CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 853705559 AUKDHYXJNQOECQ-UHFFFAOYSA-N 348.378 0.479 10 10 ECCE C[C@@H]1CC[C@@H](NC(=O)C(=O)NCc2ccc(N(C)C)c(F)c2)CN1 861749513 AXMHNDADGIBTOG-DGCLKSJQSA-N 336.411 0.765 10 10 ECCE COc1cccc([C@@H](C)NC[C@@]23COCCN2C(=O)COC3)c1O 866554944 PAZYCNDHZPRLAJ-PXAZEXFGSA-N 336.388 0.679 10 10 ECCE COc1cc(C)cc(CN2CCOC[C@@H]2CNS(C)(=O)=O)c1O 895437889 QLWXRNRUCUZAHK-ZDUSSCGKSA-N 344.433 0.459 10 10 ECCE C[C@H](NC(=O)[C@H]1CCCN(S(N)(=O)=O)C1)c1ccccc1O 1302538457 RRWGAGUQEHRAAP-QWRGUYRKSA-N 327.406 0.485 10 10 ECCE CN1CC(=O)Nc2cc(C(=O)NCc3ccc(O)cc3O)cnc21 1162283917 CTEDGMSBJASUBC-UHFFFAOYSA-N 328.328 0.811 10 10 ECCE CN(C)c1ccc(CNC(=O)CN2CCOC[C@H]2c2ncno2)cc1 1331368905 GFHZWRZZNAQJSX-HNNXBMFYSA-N 345.403 0.825 10 10 ECCE C[C@H](NC(=O)[C@@H](C)NC(=O)Cn1cnnn1)c1ccc(N(C)C)cc1 1296649034 OUDLLHWGIBYCML-NWDGAFQWSA-N 345.407 0.121 10 10 ECCE CCOC(=O)N1C[C@H](CO)[C@H](NC(=O)c2ccc(C)c(O)c2O)C1 1603663590 JUOVYVPJWUBTCK-ZYHUDNBSSA-N 338.360 0.585 10 10 ECCE CO[C@]1(CNC(=O)NCc2cc(C)ccc2O)CCS(=O)(=O)C1 1565379800 SJIXICQEMFQRQL-HNNXBMFYSA-N 342.417 0.704 10 10 ECCE C[C@@H](NC(=O)CNS(=O)(=O)c1cccnc1)c1ccccc1O 1635799052 NIXVZCNHTXFMGZ-LLVKDONJSA-N 335.385 0.943 10 10 ECCE COc1ccc(CNC2(CNC(=O)C(N)=O)CCOCC2)cc1C 1671945991 OUSQWJJVCQFRJJ-UHFFFAOYSA-N 335.404 0.244 10 10 ECCE CCS(=O)(=O)N1CCC(NC(=O)c2cc(O)c(O)c(O)c2)CC1 169881910 PIELTPAOFRKXRE-UHFFFAOYSA-N 344.389 0.347 10 10 ECCE CCNCc1ccc(N2CC[C@@](O)(C(N)=O)C2)cc1Br 380059117 FGRBYCMDDCCWSF-AWEZNQCLSA-N 342.237 0.985 10 10 ECCE Cn1cc(C=CC(=O)N2CCCc3cccc(O)c32)c(=O)n(C)c1=O 2305556322 RALNEGNXJFCERU-UHFFFAOYSA-N 341.367 0.782 10 10 ECCE CC[S@@](=O)CCNC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 805618622 JESOLAGNPHFNOF-DAOPMYJZSA-N 339.461 0.815 10 10 ECCE Cc1ccc(C(=O)N2CCO[C@]3(CCS(=O)(=O)C3)C2)c(O)c1O 844016490 ICLPLYMFNZYDAE-OAHLLOKOSA-N 341.385 0.436 10 10 ECCE COc1ccc(N2CC[C@H](NC(=O)N3CCN(C)C(=O)C3)C2)cc1 852448544 KFDSTIGYPVJURD-ZDUSSCGKSA-N 332.404 0.758 10 10 ECCE COc1ccc(N2CC[C@H](NC(=O)C(=O)NCC(C)(C)N)C2)cc1 851689756 SXIUBSPBYNTPON-LBPRGKRZSA-N 334.420 0.244 10 10 ECCE COc1ccc(N2CC[C@@H](NC(=O)[C@@H]3CCCS3(=O)=O)C2)cc1 855226771 UELMFWWIXDPKIT-DOMZBBRYSA-N 338.429 0.967 10 10 ECCE CN(C)c1ccc(CNC2CN(S(=O)(=O)N(C)C)C2)cc1F 858311793 NPKGGRVWCCJVOS-UHFFFAOYSA-N 330.429 0.472 10 10 ECCE COC(=O)COc1ccc(N(C)C[C@H](O)CN2CCOCC2)cc1 784554499 KAMRVHJCRZFXCX-HNNXBMFYSA-N 338.404 0.368 10 10 ECCE CCN(C)c1ccc(CN2CCS(=O)(=O)C[C@@H]2C(=O)OC)cc1 1308134832 OWVNKLIIIYEMFG-OAHLLOKOSA-N 340.445 0.915 10 10 ECCE COc1ccc(CN[C@@]2(CO)CCCN(C(=O)CC(N)=O)C2)cc1C 1502560038 MCFNAJPMSIPGTP-SFHVURJKSA-N 349.431 0.322 10 10 ECCE O=C(Nc1cn[nH]c1)[C@@H]1CCN(C(=O)Cc2ccc(O)c(O)c2)C1 1624625975 VTQUQFLSUUWHHI-LLVKDONJSA-N 330.344 0.851 10 10 ECCE O=C1NC[C@H](Cn2cc(C(=O)NCc3c(O)cccc3F)nn2)O1 1652298454 KWXGDBXGDMBSKE-MRVPVSSYSA-N 335.295 0.161 10 10 ECCE C[C@@H](NCCN(C)C(=O)c1ccc(N=NC(N)=O)cc1)C(=O)N(C)C 1664403160 SAFWTMHLRNLSEX-LLVKDONJSA-N 348.407 0.987 10 10 ECCE COc1ccc(CNC[C@H](O)CN(C)C(=O)Cn2cccn2)cc1C 1677056471 OKCYEMLTNIPXJA-INIZCTEOSA-N 346.431 0.809 10 10 ECCE CNS(=O)(=O)CCCNC(=O)N[C@@H](C)c1cc(OC)ccc1O 1683272507 QAJMEIXKGHEUDF-JTQLQIEISA-N 345.421 0.700 10 10 ECCE Cc1ccc(CNS(=O)(=O)CCON)c(O)c1Br 2327594981 QESBGFSFEVPQLM-UHFFFAOYSA-N 339.211 0.773 10 10 ECCE COc1ccc(N2CC[C@@H](NC(=O)C(=O)NC[C@H](N)C3CC3)C2)cc1 851687956 MNQFNLUXCCAZLW-CJNGLKHVSA-N 346.431 0.244 10 10 ECCE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CN1CCCCC(=O)C1=O 1138152631 LTADZSBUMJSAFD-NSHDSACASA-N 334.372 0.727 10 10 ECCE CN(C)c1ccc(CNC(=O)[C@@](C)(O)Cn2ccccc2=O)cc1 790481519 CSRHMQKUSKGEHY-SFHVURJKSA-N 329.400 0.982 10 10 ECCE CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCSC[C@H]2CO)c1 1295201372 LTWLJVWAJZGSSJ-SNVBAGLBSA-N 346.430 0.314 10 10 ECCE COc1ccc(CNC[C@H](O)CNC(=O)C[C@H]2CCN(C)C2)cc1C 1732660891 MJKUVNFJIFUTAJ-SJORKVTESA-N 349.475 0.912 10 10 ECCE COc1ccc(CNC[C@@H](O)CNC(=O)[C@@]2(C)CCNC2=O)cc1C 1667888784 VTFHGAHTAKLUNK-KDOFPFPSSA-N 349.431 0.097 10 10 ECCE CCN(CC)c1ccc(CNC(=O)C[C@@H]2NC(=O)NC2=O)cc1F 155752795 AKHUKTXHUFAJQH-LBPRGKRZSA-N 336.367 0.886 10 10 ECCE COC(=O)[C@@H]1OCC[C@@H]1NCc1ccc([N+](=O)[O-])c(OC)c1O 826963329 YVATWOPTXYLGSJ-JOYOIKCWSA-N 326.305 0.729 10 10 ECCE COc1c([N+](=O)[O-])ccc(CN(C)CC(=O)N2CCNCC2)c1O 843044584 KINORVLSWBLIHA-UHFFFAOYSA-N 338.364 0.173 10 10 ECCE O=C1Nc2cc(N3CC([N+](=O)[O-])C3)c(Br)cc2[C@@H]1O 1876149644 OJOTVEKHUGMCDB-JTQLQIEISA-N 328.122 0.900 10 10 ECCE CCN1C(=O)[C@H]2CN(C(=O)/C=C\c3ccc(O)c(O)c3)CCN2C1=O 779527237 DOABUGWLXJNCIE-TXNVCOODSA-N 345.355 0.606 10 10 ECCE COc1ccc(CNC[C@@H](C)N(C)C(=O)[C@@H]2CNC(=O)N2)cc1C 1268081070 PIKKBOFZUMMOJM-OCCSQVGLSA-N 334.420 0.622 10 10 ECCE COc1ccc(CN[C@H](C)[C@H](C)NC(=O)c2nnn(C)n2)cc1C 1275469389 KMUXCFGCBDMXFX-NEPJUHHUSA-N 332.408 0.824 10 10 ECCE CN1CCN(c2ccc(CNC(=O)c3nsnc3O)cc2)CC1 1455226748 SBCGCZHEXJFOJP-UHFFFAOYSA-N 333.417 0.926 10 10 ECCE Cc1ccn(C[C@@](C)(O)C(=O)NCc2cc(O)ccc2O)c(=O)c1 1471661077 GZGQCDDGNYTTPY-QGZVFWFLSA-N 332.356 0.635 10 10 ECCE 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CN1CCO[C@@H](C(=O)NCc2cc(Br)ccc2O)C1=O 908170736 TUVLHRUQQREYSX-NSHDSACASA-N 343.177 0.628 10 10 ECCE CN1CCN(c2ccc(CNC(=O)[C@]3(C)C[C@@H](O)CN3C)cc2)CC1 918829663 DWNYJPAJTHECTH-MJGOQNOKSA-N 346.475 0.510 10 10 ECCE C[C@@H]1CNCC[C@H]1NC(=O)C(=O)NCCCSc1nccs1 842092201 KGNABGKEPRTSDF-GHMZBOCLSA-N 342.490 0.856 10 10 ECCE COc1cnc(NC(=O)C(=O)NCc2ccc(N(C)C)c(F)c2)nc1 845848952 HWHJCJBALNNPEQ-UHFFFAOYSA-N 347.350 0.945 10 10 ECCE O=C(NCc1c(O)cccc1F)[C@@H]1C[C@@H](O)CN1c1ccncn1 928710811 KEDZFNDYAGVILL-MFKMUULPSA-N 332.335 0.577 10 10 ECCE CC(=O)N1CCO[C@@H](C(=O)NCc2ccc(N3CCOCC3)cc2)C1 930523774 RIQIPOLYYUFYGN-QGZVFWFLSA-N 347.415 0.387 10 10 ECCE CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@@H]1[C@H]2COC[C@H]21 1342446519 MIFHOXHKLKTOJC-ZSHCYNCHSA-N 331.416 0.862 10 10 ECCE O=C(N[C@@H](CO)C(=O)NCc1ccc(O)cc1O)c1ccc(F)cc1 1451758910 OGKMFJMFJXYUFF-AWEZNQCLSA-N 348.330 0.644 10 10 ECCE COc1ccc(CNC[C@H](O)CNC(=O)c2cncnc2O)cc1C 1482740522 BAWLADATBXFYKF-ZDUSSCGKSA-N 346.387 0.380 10 10 ECCE CNS(=O)(=O)c1ccc(C(=O)NCc2cc(O)ccc2O)cn1 1558175659 ZUPBUJOYUQGBHO-UHFFFAOYSA-N 337.357 0.331 10 10 ECCE NCc1ccc(N2CCOC[C@@H]2[C@@H](O)CO)c(Br)c1 2090136810 SWWLDLKNNCCROO-OLZOCXBDSA-N 331.210 0.466 10 10 ECCE C[C@H](N)c1ccc(N2C[C@H](O)[C@H](O)[C@H](CO)C2)c(Br)c1 2289397928 HNIKEILZJKLKDY-UVJIQFMESA-N 345.237 0.619 10 10 ECCE O=C1NC(=O)N(Cc2ccco2)C(=O)C1=CNCCN1CCCCC1 2297057291 XORHONPLTVMSPA-UHFFFAOYSA-N 346.387 0.817 10 10 ECCE COC(=O)CN/C(C)=C1/C(=O)N(c2ccccc2)N=C1CC(=O)OC 101986453 ZBDIVBAAHBCRQS-LFIBNONCSA-N 345.355 0.989 10 10 ECCE CN1CCCc2cc(CNC(=O)N3CC(S(N)(=O)=O)C3)ccc21 915389888 FCTAKJLCRLPAQR-UHFFFAOYSA-N 338.433 0.251 10 10 ECCE O=C1C[C@H](CCNC(=O)NCc2ccc(N3CCOCC3)cc2)CN1 914336314 UFCSSBOLFIVGIY-HNNXBMFYSA-N 346.431 0.849 10 10 ECCE CN(Cc1ccc(N(C)C)cc1)C(=O)CN1C[C@@H]2C[C@H]1C[S@@]2=O 844430762 DDKRDSNMUWPESG-KXNSMUHISA-N 335.473 0.916 10 10 ECCE COc1ccc(N2CCN(CCN[C@H]3CNCCOC3)CC2)cc1 925502231 GELGEUIGYWOITC-INIZCTEOSA-N 334.464 0.395 10 10 ECCE COc1ccc(N2CC[C@@H](NC(=O)CNC(=O)[C@@H](N)C(C)C)C2)cc1 852900660 OPVHQYPQXYGFMR-DYVFJYSZSA-N 348.447 0.490 10 10 ECCE CN(Cc1ccccc1O)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 859004770 YXHUACVZFQQASZ-UHFFFAOYSA-N 326.334 0.855 10 10 ECCE Cc1ccc(O)c(CNC(=O)c2cn(C[C@@H]3CNC(=O)O3)nn2)c1 1147962378 RCQAIBDRASIWHC-NSHDSACASA-N 331.332 0.331 10 10 ECCE CC[C@H](C)C(=O)NC[C@H](CO)NC(=O)c1cc(OC)nc(OC)c1 1337530783 NNBWDJHBTTXKGX-CMPLNLGQSA-N 339.392 0.352 10 10 ECCE COc1ccc(CN[C@H](CO)CNC(=O)c2nnn(C)c2C)cc1C 1507183835 UKXRRKPTMCIQML-AWEZNQCLSA-N 347.419 0.321 10 10 ECCE CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)Cc1nc[nH]n1 1624659372 TUZNSJQXOIYEDF-JTQLQIEISA-N 334.332 0.049 10 10 ECCE CNC(=O)[C@H](C)NC/C=C/CNC(=O)c1ccc(N=NC(N)=O)cc1 1716383194 VLDKMIPPFWZNJO-DVXGBNMTSA-N 346.391 0.859 10 10 ECCE Cc1nnc(N2CCNC(=O)C2)n1Cc1ccc(N(C)C)c(F)c1 1492936697 LWIJQBQKCBJGRV-UHFFFAOYSA-N 332.383 0.776 10 10 ECCE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cnn(C)c1-n1cnnc1 1567465078 JISGJOASEGTKPD-JTQLQIEISA-N 342.359 0.773 10 10 ECCE COc1ccc(CN[C@H](C)CN(C)C(=O)CCNC(N)=O)cc1C 1571416333 GUJYEEXAIJGCSF-CYBMUJFWSA-N 336.436 0.999 10 10 ECCE CC(=O)NCC(=O)N[C@@H](c1ccc(N(C)C)cc1)c1nccn1C 1865948713 HMLVSQNYMXUZKB-INIZCTEOSA-N 329.404 0.828 10 10 ECCE NCc1ccc(N2C[C@H](O)[C@@H](O)[C@@H](CO)C2)c(F)c1Br 2289486469 WRCYAHJHNKAJMH-DVYJOKAKSA-N 349.200 0.197 10 10 ECCE Cc1ccc2c(c1)OCCN2C(=O)/C=C\c1cn(C)c(=O)n(C)c1=O 255496619 RKVYLDCMYICXTK-ALCCZGGFSA-N 341.367 0.831 10 10 ECCE CN(CC1(CO)CC1)C(=O)C(=O)NCc1ccc(N(C)C)c(F)c1 285656004 HHGZGPKMKHRTHC-UHFFFAOYSA-N 337.395 0.739 10 10 ECCE CC(=O)C(=O)COC(=O)[C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 808525192 VQWDCHKXPVUDKU-SNVBAGLBSA-N 341.385 0.742 10 10 ECCE COC(=O)[C@@H]1CN(CC(=O)NCc2ccc(N(C)C)cc2)C[C@@H](C)O1 859650400 NFQPFCJUWOJTDC-CJNGLKHVSA-N 349.431 0.631 10 10 ECCE COc1ccc(N2CCN(C(=O)[C@H](O)c3cnc[nH]3)CC2)cc1F 866460198 SJYZXGIHLBEHOB-OAHLLOKOSA-N 334.351 0.940 10 10 ECCE O=C(C(=O)N1CC(OCC(F)F)C1)N1Cc2cccc(O)c2C1 1351956227 NHJVSVNTIFJNHF-UHFFFAOYSA-N 326.299 0.727 10 10 ECCE COc1ccc(CNC[C@H](O)CN(C)C(=O)c2cnn(C)n2)cc1C 1486305866 OKRBJIQGEOXIGF-AWEZNQCLSA-N 347.419 0.355 10 10 ECCE CC(=O)N[C@@H](C)C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 1626090526 LHCVCULELXTSNH-LBPRGKRZSA-N 346.431 0.529 10 10 ECCE O=C(Cc1nc(C2CCOCC2)n[nH]1)NCc1c(O)cccc1O 1558536075 RZHFNHODKAPLAU-UHFFFAOYSA-N 332.360 0.969 10 10 ECCE NC(=O)[C@H]1CCN1c1cc2c(cc1Br)[C@H](O)C(=O)N2 2089370335 VGEAPPGWGFKWJU-SCZZXKLOSA-N 326.150 0.499 10 10 ECCE NCc1ccc(N2CC[C@](O)(CO)[C@H](O)C2)c(Br)c1 2225730217 SDUICWDMGHJNPI-OLZOCXBDSA-N 331.210 0.202 10 10 ECCE CC(=O)C(=O)COC(=O)CS[C@@H](C)C(=O)Nc1cc(C)on1 808494870 SKBMVGGUCDFDIL-VIFPVBQESA-N 328.346 0.745 10 10 ECCE CCc1nnc(CNC(=O)c2cc(NS(C)(=O)=O)ccc2O)o1 816294372 VRWLTKCFHLCGNR-UHFFFAOYSA-N 340.361 0.639 10 10 ECCE CC[C@@H](CNC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1)C(=O)O 927943089 PIFXUBRWNKQCMS-AWEZNQCLSA-N 345.399 0.906 10 10 ECCE COc1ccc(N2CC[C@@H](NC(=O)c3cnn(CCO)c3)C2)cc1 1123832336 VKPKXWGMTMVVRZ-CQSZACIVSA-N 330.388 0.893 10 10 ECCE COc1ccc(N2CCN(C(=O)[C@H](O)Cc3cnn(C)c3)CC2)cc1 786687074 JKPXDPRAIYTXNC-QGZVFWFLSA-N 344.415 0.681 10 10 ECCE CC(=O)c1cc(F)cc(CN[C@](C)(Cn2cccn2)C(N)=O)c1O 1308147047 UWAIELONZBVPQQ-MRXNPFEDSA-N 334.351 0.964 10 10 ECCE COCCc1cc(NC(=O)C(=O)N(C)Cc2ccccc2O)n(C)n1 1333639615 QZMHAQUQOZWPDC-UHFFFAOYSA-N 346.387 0.912 10 10 ECCE COc1ccc(CN[C@H](C)[C@@H](C)NC(=O)Cn2cnnn2)cc1C 1505554192 JUNOXSGDKRSFTM-CHWSQXEVSA-N 332.408 0.673 10 10 ECCE COc1ccc(CN[C@@H](CO)CNC(=O)[C@H]2CCCOC2)cc1C 1734362180 SLVYELBGZPNJQQ-JKSUJKDBSA-N 336.432 0.997 10 10 ECCE CN(CC(=O)NCc1c(O)cccc1O)c1ncnc2[nH]cnc12 1645360994 SILVEBPFJVSAJY-UHFFFAOYSA-N 328.332 0.517 10 10 ECCE COC(=O)CNC(=O)CCN(C)CCN(C)c1ccc(OC)cc1 1654113771 AOBOPMYTELDSMI-UHFFFAOYSA-N 337.420 0.743 10 10 ECCE COc1ccc(CNC2(CNC(=O)CS(C)(=O)=O)CC2)cc1C 1699647421 LXDNYHFJBLZTGU-UHFFFAOYSA-N 340.445 0.787 10 10 ECCE Cc1cc(=O)c(OC[C@@H](O)CO)cn1CCCOc1ccc(N)cc1 1857917038 ZCEZQUJTFWOCEF-HNNXBMFYSA-N 348.399 0.940 10 10 ECCE C[C@H](C(=O)Nc1ccc(N)cc1)N1CC(NC(=O)C(F)(F)F)C1 1999474977 LRXZQFMNEPFWIY-MRVPVSSYSA-N 330.310 0.959 10 10 ECCE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NCCN 2022905272 PRPRYHRMLPZHTK-NSHDSACASA-N 339.392 0.609 10 10 ECCE COC1(CO)CN(c2cc3c(cc2Br)[C@H](O)C(=O)N3)C1 2157307453 IBBXNCDMBZFZAE-NSHDSACASA-N 343.177 0.632 10 10 ECCE C[C@@H]1C(=O)N(C)CN1C(=O)C(=O)NCCCSc1nccs1 834751701 WXRHNXSQBUNTNP-SECBINFHSA-N 342.446 0.388 10 10 ECCE O=S(=O)(NCc1ccc(N2CCCC2)cc1)[C@@H]1COC[C@H]1O 913915729 MAKGATHRCOMSNK-HUUCEWRRSA-N 326.418 0.466 10 10 ECCE O=S(=O)(NCc1ccc(N2CCOCC2)c(F)c1)C1CNC1 923591848 FGNSFFRFIFCRFN-UHFFFAOYSA-N 329.397 0.054 10 10 ECCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2 860697124 NWKWLYYTJPTULR-SBTRFCBZSA-N 347.367 0.866 10 10 ECCE COc1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2c2ccncn2)c(O)c1 1139032942 UJSOXNNAADKNPK-OCCSQVGLSA-N 344.371 0.447 10 10 ECCE CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N1C[C@@H]2C[C@H]1C[S@]2=O 1326594437 KGHYURINZKXOJO-ZEUIUJOJSA-N 349.456 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COc1cc(I)cc([C@@H](N)CC(N)=O)c1O 44253409 HKHXMKFHVVVSNL-ZETCQYMHSA-N 336.129 0.881 10 10 ECCE COc1ccc(O)c(CNC(=O)Cn2cnc3c(cnn3C)c2=O)c1 734018049 CEPXCCQRWQRHCW-UHFFFAOYSA-N 343.343 0.161 10 10 ECCE CCN(CC)c1ccc(CNC(=O)C(=O)N2CN(C)C(=O)[C@@H]2C)cc1 834588967 HPDWFLCABBIVTA-ZDUSSCGKSA-N 346.431 0.796 10 10 ECCE COC(=O)[C@@H]1OCC[C@@H]1CNC(=O)NCc1c(O)cccc1F 923907645 QZLPMJKJEXECSP-NOZJJQNGSA-N 326.324 0.909 10 10 ECCE CC[C@H](CNC(=O)C(F)F)NC(=O)c1cc(OC)nc(OC)c1 1746098266 IFVZSTRPPCMKHQ-SECBINFHSA-N 331.319 0.989 10 10 ECCE Cc1cc(O)n2ncc(C(=O)N3CCO[C@@]4(CCO[C@H]4C)C3)c2n1 2063988794 BUHBBXYVXQWBRT-ZBEGNZNMSA-N 332.360 0.763 10 10 ECCE NCc1ccc(N2CCN(CCO)C(=O)C2)c(Br)c1 2114627432 XFIIQCYBIYISNC-UHFFFAOYSA-N 328.210 0.549 10 10 ECCE CNCc1ccc(N2C[C@H](O)[C@@H](O)[C@H](CO)C2)cc1Br 2289399519 AGBMELKGOQLTMF-BPNCWPANSA-N 345.237 0.319 10 10 ECCE OCc1ccc(N2C[C@@H]3OC[C@H](CO)O[C@H]3C2)cc1Br 2279762904 SSOHSMJRODAGJB-UBHSHLNASA-N 344.205 0.906 10 10 ECCE CC1=NN(c2ccccc2)C(=O)/C1=C\NC12CN3CN(CN(C3)C1)C2 101110463 VDKAFVOOEYTRJY-APSNUPSMSA-N 338.415 0.441 10 10 ECCE COc1ccc(N2CCN(C(=O)CN[C@H](C)[C@H](C)CO)CC2)cc1 274128136 YAGBZPXTWRGYMO-HUUCEWRRSA-N 335.448 0.950 10 10 ECCE CC(=O)C(=O)COC(=O)[C@H]1C[C@H](O)CN1C(=O)c1ccc(F)cc1 808512329 MMSHYPBXSDQQFI-QWHCGFSZSA-N 337.303 0.102 10 10 ECCE CCN(CC)c1ccc(CNC(=O)C(=O)N[C@H]2CCNC2=O)cc1 827165028 VFCYODRCVZWUNH-AWEZNQCLSA-N 332.404 0.154 10 10 ECCE CN(Cc1ccc(N(C)C)cc1)C(=O)CN(C)[C@H]1C[C@@H](C(N)=O)C1 859959824 XMYRYZSBYUYLBJ-FZNQNYSPSA-N 332.448 0.907 10 10 ECCE O=C1COc2cc([N+](=O)[O-])c(N3CCc4nnc(O)cc4C3)cc2N1 772235636 IRJHMIYQJIREQP-UHFFFAOYSA-N 343.299 0.984 10 10 ECCE CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1ccc(C)c(O)c1O 787660033 CMAXLTHFUAPDLM-NXEZZACHSA-N 338.360 0.592 10 10 ECCE CN[C@@H](C)CCNC(=O)C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 1327485193 JMVKXBBYECHPRW-UONOGXRCSA-N 348.447 0.504 10 10 ECCE CN(C)c1ccc([C@@H](CNC(=O)c2nnc(O)nc2O)N(C)C)cc1 1558723690 UTGNVHMOPWTUDT-GFCCVEGCSA-N 346.391 0.382 10 10 ECCE CNC(=O)CNC1(CNC(=O)c2ccc(N=NC(N)=O)cc2)CC1 1499464448 UWSCVHJMBFOYHY-UHFFFAOYSA-N 332.364 0.447 10 10 ECCE Nc1nc(C(=O)N2Cc3cccc(O)c3C2)nc(N2CCOCC2)n1 1650674643 KOHRVFMGKJEXOR-UHFFFAOYSA-N 342.359 0.152 10 10 ECCE COC(=O)/C=C\c1ccc(N2CCO[C@H](C(N)=O)C2)c([N+](=O)[O-])c1 1772824542 RJRKDUMNUDNLRV-DXTPNHAXSA-N 335.316 0.472 10 10 ECCE COc1cc(C(=O)N[C@@H](C)CN(C)C(=O)c2nc[nH]n2)cc(OC)n1 1774100561 PQXOOMNGMDOOKQ-VIFPVBQESA-N 348.363 0.107 10 10 ECCE O=S1(=O)CC[C@H](CNCc2ccc(Br)cc2O)N1 1967792479 CXJUSMUETUJQCH-SNVBAGLBSA-N 335.223 0.936 10 10 ECCE NCc1cc(F)c(N2CC[C@@](O)(CO)[C@@H](O)C2)cc1Br 2234108441 UUIBKEAMDDQBMD-QWHCGFSZSA-N 349.200 0.341 10 10 ECCE C[C@H](OC(=O)c1cc(O)cs1)C(=O)N(C)CC(=O)NC1CC1 732354563 VUVBSYHCXHHOPC-QMMMGPOBSA-N 326.374 0.736 10 10 ECCE COc1ccc(N2CC[C@H](NC(=O)C(=O)NC[C@H](C)CN)C2)cc1 851688427 ZZABUBFYHJHMQW-OLZOCXBDSA-N 334.420 0.101 10 10 ECCE COc1ccc(N2CC[C@H](NC(=O)[C@@H]3CCCS3(=O)=O)C2)cc1 855226776 UELMFWWIXDPKIT-WFASDCNBSA-N 338.429 0.967 10 10 ECCE O=C1C[C@@H](C(=O)NCc2cc(Br)ccc2O)NC(=O)N1 854442754 WSPZQIVGIUVPLC-QMMMGPOBSA-N 342.149 0.369 10 10 ECCE COc1ccc(O)c([C@H](C)NS(=O)(=O)C[C@H]2CNCCO2)c1 866752819 WZHMSXUMZZABMH-CMPLNLGQSA-N 330.406 0.370 10 10 ECCE Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NCC[C@@H]1CNC(=O)C1 1332865714 IBMBEKOJGVCAPV-ZDUSSCGKSA-N 346.431 0.320 10 10 ECCE O=C1CN(C(=O)C(=O)N2Cc3cccc(O)c3C2)[C@H]2CCCC[C@H]2N1 1335556134 DSALKHAWWMTMDD-KGLIPLIRSA-N 343.383 0.504 10 10 ECCE CNC(=O)[C@H](C)NC[C@@H](C)CNC(=O)c1ccc(N=NC(N)=O)cc1 1482175659 OCVNBOGJEIZXLT-MNOVXSKESA-N 348.407 0.939 10 10 ECCE CC(C)CNC(=O)CN1C(=O)COc2ccc(N3CCNCC3)cc21 31947238 QWVLYVQIJWBCBL-UHFFFAOYSA-N 346.431 0.594 10 10 ECCE COC(=O)C=Cc1ccc(N2CCN(C)[C@@H](CO)C2)c([N+](=O)[O-])c1 2054651354 PBCPWJHNHAYMLE-CYBMUJFWSA-N 335.360 0.894 10 10 ECCE COc1ccc(Br)c(CN2CCNC[C@H]2C(N)=O)c1O 2236035001 XAHFXNGNJLYCHB-JTQLQIEISA-N 344.209 0.422 10 10 ECCE CN(C)c1ccc(CN2CCN(CC(=O)N3CCOCC3)CC2)cc1 112119162 NNXDCQXIHMQOSG-UHFFFAOYSA-N 346.475 0.729 10 10 ECCE CC(=O)C(=O)COC(=O)[C@]12CN(C(=O)OC(C)(C)C)C[C@H]1CCO2 859772276 JZDMCYAZGSEAMQ-BZNIZROVSA-N 341.360 0.714 10 10 ECCE NC[C@H]1CC(C(=O)NCc2ccc(N3CCSCC3)cc2)=NO1 852860010 HNKMSJPGSGQYDJ-CQSZACIVSA-N 334.445 0.960 10 10 ECCE CN1CCCc2cc(CNS(=O)(=O)C[C@H]3CNCCO3)ccc21 866748189 IOEIDMHVMBZNIC-OAHLLOKOSA-N 339.461 0.477 10 10 ECCE Nc1ccc(CCNC(=O)N2CCN(c3nccnn3)CC2)cc1 861642071 ZPMVFNRQRABCIG-UHFFFAOYSA-N 327.392 0.528 10 10 ECCE CC(=O)N1CCN(c2ccc(CNC[C@H](O)C3(O)CCC3)cc2)CC1 1120511709 UHBIPIXCNYDGJN-SFHVURJKSA-N 347.459 0.721 10 10 ECCE O=C(Cc1ccc(F)cc1)N[C@@H](CO)C(=O)NCc1ccccc1O 1445973779 YFQGHDNCNYLOIR-HNNXBMFYSA-N 346.358 0.867 10 10 ECCE COc1cccc(CNC(=O)C2(CS(C)(=O)=O)COC2)c1O 1294937792 SYSVJRIHILZERD-UHFFFAOYSA-N 329.374 0.078 10 10 ECCE CC(C)[C@@H](O)C(=O)NC1CN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 1688607767 VAQAXROFMSRSFL-CYBMUJFWSA-N 347.375 0.807 10 10 ECCE COc1ccc(CN[C@H]2CCN(C(=O)CCNC(N)=O)C2)cc1C 1690687260 LHSNXEVZCJKNBH-AWEZNQCLSA-N 334.420 0.753 10 10 ECCE COc1ccc(-n2nnnc2CN[C@H](C)CNC(=O)[C@H](C)OC)cc1 1690557818 XMEWAZIZLMVMPU-NEPJUHHUSA-N 348.407 0.300 10 10 ECCE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)CS(N)(=O)=O 1951691839 AEXXVCRULMAQJE-JTQLQIEISA-N 346.405 0.822 10 10 ECCE COC(=O)[C@H](CC(=O)N1CC(N=[N+]=[N-])C1)NC(=O)OC(C)(C)C 1985100306 FCTGUMSODRZHEG-VIFPVBQESA-N 327.341 0.964 10 10 ECCE CNCc1ccc(N2CC(NS(C)(=O)=O)C2)c(Br)c1 703165523 XAVHEDHWUODQMO-UHFFFAOYSA-N 348.266 0.906 10 10 ECCE NC(=O)[C@H]1C[C@@H](N)CN(Cc2c(O)cccc2Br)C1 2094656161 OCUHGOSJGGVWJM-DTWKUNHWSA-N 328.210 0.789 10 10 ECCE Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CC(=O)N(C)[C@@H](C)C1 807098276 WNUKJPRBZHWZBJ-ZDUSSCGKSA-N 346.431 0.366 10 10 ECCE COC(=O)c1ccc(O)c([C@H](C)NC[C@]2(CO)COCCN2C)c1 903277527 BCQIHZUMTHONKM-SJCJKPOMSA-N 338.404 0.523 10 10 ECCE C[C@@H]1CCNC[C@H]1NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 842171832 XPKAUEXNRHZGNL-RHSMWYFYSA-N 342.443 0.793 10 10 ECCE N[C@@H]1CN(C(=O)C(=O)NCc2ccc(N3CCCC3)cc2)CC[C@H]1F 851687191 ZGELMIQJRWNPDS-HZPDHXFCSA-N 348.422 0.801 10 10 ECCE Cc1ccc(C(=O)N2CCN(c3nccn(C)c3=O)CC2)c(O)c1O 780955011 BGTNYMIXERICBA-UHFFFAOYSA-N 344.371 0.462 10 10 ECCE COc1ccc(N(CC(=O)O)CC(=O)NCCc2cnn(C)c2)cc1 1330139408 CQPIKSJRDANLCO-UHFFFAOYSA-N 346.387 0.679 10 10 ECCE Cn1cc(C(=O)NCc2cc(O)ccc2O)c(=O)c2cnn(C)c21 1153885031 JJWDPVOWIUHXIU-UHFFFAOYSA-N 328.328 0.613 10 10 ECCE O=C(NCCCn1ccc(O)nc1=O)NCc1c(O)cccc1F 1256232739 SROXMTXMTYMKOJ-UHFFFAOYSA-N 336.323 0.683 10 10 ECCE O=C(NCc1ccc(O)cc1O)[C@H]1C[C@H](O)CN1c1ccncn1 1451763301 AHAUSXRYRZDSFR-QWHCGFSZSA-N 330.344 0.144 10 10 ECCE COc1ccc(CNC[C@@H](O)CN(C)C(=O)[C@H]2CCN(C)C2)cc1C 1700959010 RYBFHQGNGNGHOP-DLBZAZTESA-N 349.475 0.864 10 10 ECCE COc1cc(C(=O)N[C@H](C)CNC(=O)c2conc2C)cc(OC)n1 1737582614 NAVHNNVADJQUAO-SECBINFHSA-N 348.359 0.944 10 10 ECCE CCOC(=O)Cn1cnc(NC(=O)/C=C/c2ccc(O)c(O)c2)n1 1643323268 VKKSQUFRGYXNAO-GQCTYLIASA-N 332.316 0.904 10 10 ECCE C[C@H](N)c1ccc(N2C[C@H](O)[C@@H](O)[C@H]2CO)cc1Br 2136334298 ZURHPOWYGSOZOQ-GZFGJDTESA-N 331.210 0.372 10 10 ECCE CN1CCN(C(=O)/C=C\c2cn(C)c(=O)n(C)c2=O)c2ccccc21 255331812 OMUDRKHDBBUSHK-HJWRWDBZSA-N 340.383 0.580 10 10 ECCE C[C@H](O)c1ccc(N2C[C@H](O)[C@H](O)[C@@H](CO)C2)cc1Br 2289358521 TUISXQLEZJFYBP-KNUWBNEDSA-N 346.221 0.653 10 10 ECCE CCN1CCN(c2ccc(CNC(=O)Cn3ccnn3)cc2F)CC1 176299785 KLFLCOIEJPCWCC-UHFFFAOYSA-N 346.410 0.876 10 10 ECCE Cc1cc(N(C)C)ccc1CNC(=O)N1CCS(=O)(=O)CCO1 1350932145 XOKGIMBOYOXLIQ-UHFFFAOYSA-N 341.433 0.933 10 10 ECCE Nc1nonc1N=NN(CC(=O)Nc1ccccc1)c1nonc1N 254760778 HBPZBJMHBQKJOF-UHFFFAOYSA-N 344.295 0.761 10 10 ECCE CO[C@@H]1CN(c2cc3c(cc2Br)[C@@H](N)C(=O)N3)C[C@H]1O 396109335 OXECOFVRQCZLIN-IJLUTSLNSA-N 342.193 0.597 10 10 ECCE CS(=O)(=O)NC[C@H]1CCC[C@@H]1NC(=O)c1c(F)ccc(O)c1O 831334213 VFBRONAWVBIYNN-SCZZXKLOSA-N 346.380 0.685 10 10 ECCE O=C(CSCC(=O)N1CCOCC1)NCc1c(O)cccc1F 928709264 HNJDIRFVQLXMCD-UHFFFAOYSA-N 342.392 0.740 10 10 ECCE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CCc2nnc(O)n2C1 1138153169 ZIFORUZJXNNWFR-GXSJLCMTSA-N 332.360 0.705 10 10 ECCE C[C@H](CNC(=O)NCc1ccc(N2CCCC2)cc1)S(N)(=O)=O 799884033 AQGAVGQCHZLPRX-GFCCVEGCSA-N 340.449 0.763 10 10 ECCE COc1ccc(CN[C@@H](CO)CNC(=O)c2ccc(C)nn2)cc1C 1283755748 JVDGUIKUZJTMPK-OAHLLOKOSA-N 344.415 0.983 10 10 ECCE O=C(NCc1ccc(O)cc1O)[C@@H]1C[C@H](O)CN1c1ccncn1 1451763306 AHAUSXRYRZDSFR-STQMWFEESA-N 330.344 0.144 10 10 ECCE CCN1CCN(C(=O)CNC(=O)c2ccc(N=NC(N)=O)cc2)CC1 1558990220 RCHRSDKQJXUZER-UHFFFAOYSA-N 346.391 0.743 10 10 ECCE O=C(NCc1ccc(O)cc1O)[C@H]1CC12CCS(=O)(=O)CC2 1638356745 NKWLRMKZQKHRTR-GFCCVEGCSA-N 325.386 0.929 10 10 ECCE O=C(CN1C(=O)[C@H]2CCCC[C@H]2C1=O)NCc1cccc(O)c1O 1637034469 INNVMMYEJYZQHR-TXEJJXNPSA-N 332.356 0.889 10 10 ECCE COc1ccc(CNC/C=C\CNC(=O)Cn2ncnn2)cc1C 1732846489 AIIJSSIDTHRKER-ARJAWSKDSA-N 330.392 0.452 10 10 ECCE Cc1nn(C)cc1C1=NO[C@H](C(=O)NCc2cccc(O)c2O)C1 1593744402 NYHKVLRWRQTNDQ-AWEZNQCLSA-N 330.344 0.949 10 10 ECCE COc1ccc(CNC[C@@H](O)CN(C)C(=O)Cn2cccn2)cc1C 1677056472 OKCYEMLTNIPXJA-MRXNPFEDSA-N 346.431 0.809 10 10 ECCE CN(C)c1ccc([C@@H](NC(=O)[C@@H](N)CC(=O)O)c2nccn2C)cc1 1865997157 YTFYHSVAJODCGS-DZGCQCFKSA-N 345.403 0.494 10 10 ECCE NC(=O)[C@@H]1CN(Cc2ccc(Br)cc2O)C[C@@H]1C(N)=O 703457271 IXZJXSQCHWOMPX-AOOOYVTPSA-N 342.193 0.173 10 10 ECCE Cc1cc(O)n2ncc(C(=O)N3CC(Cc4cnn(C)c4)C3)c2n1 2062953443 GSMZOCJGGHPGBV-UHFFFAOYSA-N 326.360 0.792 10 10 ECCE CC(C)(C)OC(=O)N1C[C@@H]2OCC[C@]2(COc2nnc(=N)[nH]n2)C1 2253389084 XKNCQEWKFSWEPW-LKFCYVNXSA-N 338.368 0.084 10 10 ECCE O=C(c1cccc(O)c1O)N1CCC[C@@H](C(=O)N2CCOCC2)C1 373578735 BQIVNCHFNCEXSJ-GFCCVEGCSA-N 334.372 0.809 10 10 ECCE Cc1cc(CC(=O)N(CC(N)=O)CC(N)=O)c(C)n1-c1ccccc1 825597247 KJKALBGSIDVOSC-UHFFFAOYSA-N 342.399 0.436 10 10 ECCE COc1ccc(N2CC[C@H](NC(=O)N3CCNC(=O)CC3)C2)cc1 854301469 PPZKXINIIPTZSH-ZDUSSCGKSA-N 332.404 0.805 10 10 ECCE COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCOC[C@H]3O)C2)cc1 875715381 HVWNIVDKWBTRNX-APHBMKBZSA-N 335.404 0.723 10 10 ECCE O=C(O)C[C@H]1C(=O)NCCN1Cc1c(O)cccc1Br 706655507 ODQMFGFUMVEZKS-JTQLQIEISA-N 343.177 0.930 10 10 ECCE COc1ccc(CNC[C@H](O)CNC(=O)CN(C)C(C)=O)cc1C 1732634932 UWHPETZMVARIEC-HNNXBMFYSA-N 337.420 0.049 10 10 ECCE CCn1cc(CNC(=O)NCc2c(O)cccc2F)c(O)nc1=O 1684851758 NURSKVAMIFJFOO-UHFFFAOYSA-N 336.323 0.813 10 10 ECCE CS(=O)(=O)Nc1ccc(NS(=O)(=O)CCO)cc1Cl 2101596700 IBRXOUCWLWTTJX-UHFFFAOYSA-N 328.799 0.446 10 10 ECCE O=C(NCc1ccc(N2CCOCC2)cc1)C1CN([C@@H]2CCOC2)C1 827771629 ZJJYZVIALASQCM-GOSISDBHSA-N 345.443 0.860 10 10 ECCE COC[C@@H]1C[C@@H](O)CN1CC(=O)N(C)Cc1ccc(N(C)C)cc1 844394051 NSPRQXCFXDOPRC-DLBZAZTESA-N 335.448 0.793 10 10 ECCE O=C1CN(Cc2ccccc2O)C(=O)N1C1CN(c2ccncn2)C1 865320919 ZWEWSGZXHJAHNN-UHFFFAOYSA-N 339.355 0.835 10 10 ECCE COc1ccc(O)c(CNC(=O)c2ccnc(N3CCOCC3)n2)c1 860242484 TZVNHNVBFRTEQO-UHFFFAOYSA-N 344.371 0.957 10 10 ECCE O=C(c1cccc(O)c1O)N1CCN(CCc2cnccn2)CC1 871218156 HDROBQIZEJCYGB-UHFFFAOYSA-N 328.372 0.888 10 10 ECCE Cc1ccc(C(=O)N[C@H]2CCN(c3cc(O)ncn3)C2)c(O)c1O 1304645718 CWEPJOWBBGDHMK-JTQLQIEISA-N 330.344 0.911 10 10 ECCE CN(Cc1ccccc1O)C(=O)C(=O)N1C[C@H]2CC[C@H]1[C@@H](CO)C2 1327674733 JTWPZUHLZWVEPS-CFVMTHIKSA-N 332.400 0.970 10 10 ECCE O=C1NCCn2c(CNCc3cc(Cl)c(F)cc3O)nnc21 1350329563 JQBWURWQCAUNFW-UHFFFAOYSA-N 325.731 0.809 10 10 ECCE COc1ccc(CNC[C@@H](O)CN(C)C(=O)c2nonc2C)cc1C 1284477925 RLWPOEKILVFOAZ-CQSZACIVSA-N 348.403 0.918 10 10 ECCE COc1ccc(CN[C@@H](CO)CNC(=O)c2ccn(C)n2)cc1C 1717784719 VMRHLDNTTGWBCR-CQSZACIVSA-N 332.404 0.618 10 10 ECCE COc1ccc(CN[C@@H](C)CNC(=O)CN2CCNC(=O)C2)cc1C 1731609695 CCJFHPDOJFKKIT-AWEZNQCLSA-N 348.447 0.030 10 10 ECCE NS(=O)(=O)N1CCC(C(=O)NCc2c(O)cccc2F)CC1 1652295289 GNEBCQVBTBFXFE-UHFFFAOYSA-N 331.369 0.063 10 10 ECCE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NCCO 2010068508 BELBHDADQKDRKK-NSHDSACASA-N 340.376 0.642 10 10 ECCE COc1ccc(N2CCN(C(=O)C[C@H]3C(=O)NN=C3O)CC2)cc1 74746173 ZRXVCVZGJNFDPR-UHFFFAOYSA-N 332.360 0.351 10 10 ECCE c1ncn(Cc2cn(Cc3ccc(N4CCOCC4)cc3)nn2)n1 900600838 LGSGPQBPJKELBL-UHFFFAOYSA-N 325.376 0.803 10 10 ECCE CN(C)c1ccc(CNC(=O)C(=O)N[C@H]2CCCCNC2)cc1F 842148878 RKDRBSRUOPBCEO-ZDUSSCGKSA-N 336.411 0.766 10 10 ECCE CC[C@H](CNC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1)C(=O)O 927954896 AYGVQMNWIMHJDD-CYBMUJFWSA-N 335.404 0.938 10 10 ECCE Cc1nnc(CN(C)CC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)n1C 773760713 KJRQLFMTJQUVJE-NSHDSACASA-N 347.419 0.714 10 10 ECCE NC(=O)[C@@H]1C[C@@H](N)CN(Cc2cc(Br)cc(F)c2O)C1 2151023670 WMEZYXJEKOAZME-PSASIEDQSA-N 346.200 0.928 10 10 ECCE CCCN1C[C@H](CNC(=O)c2cnn3c(O)cc(C)nc23)CC1=O 2063820251 GCEDWQCDOQZADI-NSHDSACASA-N 331.376 0.732 10 10 ECCE CS(=O)(=O)CCC(=O)N1CCc2cc(N3CCOCC3)ccc21 62526641 SYTMNYOMVCTSLP-UHFFFAOYSA-N 338.429 0.847 10 10 ECCE CC[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1O)C(=O)OC 271465526 ZLMLUTSXPCGFPK-JTQLQIEISA-N 330.362 0.445 10 10 ECCE COCCN1CCCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC1=O 375513179 KGNDOKXBLZOJAO-GQCTYLIASA-N 334.372 0.818 10 10 ECCE COC(=O)/C=C\c1ccc(N2C[C@H](O)C[C@H]2C(N)=O)c([N+](=O)[O-])c1 858696670 KTPHNZOJSITASJ-ZRIUIHNJSA-N 335.316 0.206 10 10 ECCE 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COc1ccc(CN[C@H]2C[C@@H](NC(=O)CS(C)(=O)=O)C2)cc1C 1266670348 UXKZZEQEIGUOEL-OKILXGFUSA-N 340.445 0.785 10 10 ECCE COc1ccc(CNC[C@H](O)CN(C)C(=O)c2cn[nH]c2)cc1C 1725691138 YMRBEGMOQZEYQO-HNNXBMFYSA-N 332.404 0.949 10 10 ECCE COc1ccc(CNC/C=C/CNC(=O)[C@H]2CCNC2=O)cc1C 1568899421 YXTALKSXFNQMKB-NHZBNJEXSA-N 331.416 0.902 10 10 ECCE CC[C@H](CNC(=O)COC)NC(=O)c1cc(OC)nc(OC)c1 1738099969 HXHGTSXGTAHBGA-LLVKDONJSA-N 325.365 0.370 10 10 ECCE NCc1cc(F)c(N2C[C@H](O)[C@H](O)[C@@H]2CF)cc1Br 2140661764 IPTPVRLSSSRYLZ-SDDRHHMPSA-N 337.164 0.927 10 10 ECCE N[C@@H]1C(=O)Nc2cc(N3CCC3(CO)CO)c(Br)cc21 2194354303 UQRFLQSJRNDRCT-NSHDSACASA-N 342.193 0.335 10 10 ECCE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H](CCOc2nnc(=N)[nH]n2)O1 2213790377 SQKTVMHBQVVJNI-VHSXEESVSA-N 340.384 0.472 10 10 ECCE CN(C)c1ccc([C@H](N)CNC(=O)c2cc(C(N)=O)cn2C)cc1 832267316 QGDPRBSAJPHARM-CQSZACIVSA-N 329.404 0.620 10 10 ECCE C[C@@H]1OCC[C@@H]1S(=O)(=O)NC[C@H](N)c1ccc(N(C)C)cc1 842786153 UMHHJRWLZOEWFJ-CQDKDKBSSA-N 327.450 0.849 10 10 ECCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CCN(C)S1(=O)=O 843852680 ZSHAJZJVCKBSTR-NOZJJQNGSA-N 328.390 0.179 10 10 ECCE CC(C)(C)OC(=O)N[C@@H](CO)CNC(=O)c1cccc(O)c1O 1963833110 ONNJMKZKISUDKP-SECBINFHSA-N 326.349 0.713 10 10 ECCE COC(=O)[C@@H]1CCN(C(=O)C(=O)NCc2ccc(N(C)C)cc2C)C1 1323277431 IJRYXYHJWNZORW-CQSZACIVSA-N 347.415 0.699 10 10 ECCE CC(=O)N1CCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)[C@H](C)C1 1331972696 LWODJMHQXNECPG-LLVKDONJSA-N 331.372 0.314 10 10 ECCE O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)NCc1cccc(O)c1O 1637034471 INNVMMYEJYZQHR-VXGBXAGGSA-N 332.356 0.889 10 10 ECCE COc1ccc(CNC[C@@H](O)CNC(=O)c2[nH]nnc2C)cc1C 1732649982 VDHBSWBATJKDKP-CYBMUJFWSA-N 333.392 0.311 10 10 ECCE Cc1cnc(CNC(=O)c2cc(NS(C)(=O)=O)ccc2O)nc1 1643374450 KYMCHQXQHIZTDI-UHFFFAOYSA-N 336.373 0.792 10 10 ECCE O=C1NC(=O)[C@@]2(CCN(c3ccc(CO)c(Br)c3)C2)N1 2170606700 GNCSFXRZCXDFJD-ZDUSSCGKSA-N 340.177 0.730 10 10 ECCE O=C1COC[C@H]2CN(c3ccc(CO)cc3Br)CCN12 2236937051 UCTYIUNGASGHLW-LLVKDONJSA-N 341.205 0.989 10 10 ECCE COC(=O)c1cn(CN2CCN(c3ccc(OC)c(F)c3)CC2)nn1 84926037 JFLJKKXVDCQNHK-UHFFFAOYSA-N 349.366 0.992 10 10 ECCE COC(=O)/C=C/c1ccc(N2CCN3C(=O)NC[C@@H]3C2)c([N+](=O)[O-])c1 267731909 VWNDSRIPNALKEN-OGOUPESXSA-N 346.343 0.995 10 10 ECCE CNC(=O)Cn1cc(NC(=O)NCc2cccc(OC)c2O)cn1 271587653 SJOHTBJXLDOKJL-UHFFFAOYSA-N 333.348 0.665 10 10 ECCE Cn1cc(/C=C/C(=O)N2CCCc3ccnc(O)c32)c(=O)n(C)c1=O 912625398 INBPZGUOAOKZEG-AATRIKPKSA-N 342.355 0.177 10 10 ECCE COc1ccc(N2CC[C@@H](NC(=O)C(=O)NC[C@@H](N)C(C)C)C2)cc1 851688186 SCKANCCMSYSWRV-CZUORRHYSA-N 348.447 0.490 10 10 ECCE CN(C)C(=O)N(C)[C@H]1CCN(C(=O)C(=O)Nc2ccc(N)cc2)C1 850853100 PPUZNNXFTGAPHN-ZDUSSCGKSA-N 333.392 0.422 10 10 ECCE CN(C)c1ccc(CNC(=O)N2CCC[C@H]2CS(N)(=O)=O)cc1 758382671 KQQPJFVYLSPKOT-AWEZNQCLSA-N 340.449 0.715 10 10 ECCE Cc1noc(CCNC(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)n1 1341184302 YUFRUJDFGSJJQN-NSHDSACASA-N 345.403 0.980 10 10 ECCE Oc1ccccc1CN[C@H]1[C@H](Cn2cc(C3CC3)nn2)OC[C@@H]1O 1615736420 MBTJKEFMMFTUOO-YESZJQIVSA-N 330.388 0.779 10 10 ECCE CS(C)(=O)=NS(=O)(=O)CCNC(=O)c1cc(O)cs1 1471922642 OIWAZUJHHWDEQA-UHFFFAOYSA-N 326.421 0.241 10 10 ECCE CC(=O)N1C[C@@H]2C[C@H](O)CN2C2(CN(Cc3ccccc3O)C2)C1 1615258315 NAJXUFYBZPNIAV-HOTGVXAUSA-N 331.416 0.244 10 10 ECCE NS(=O)(=O)C[C@@H]1CCCN(C(=O)c2c(F)ccc(O)c2O)C1 1611197766 CHPGBTAMUOWFJH-MRVPVSSYSA-N 332.353 0.378 10 10 ECCE Cc1cc(N(C)C)ccc1Cn1c(C)nnc1N1CCNC(=O)C1 1611963686 XLJJTFCJTDKEGX-UHFFFAOYSA-N 328.420 0.945 10 10 ECCE CCOC(=O)CC(C)(C)CC(=O)C(=O)C[C@]1(C)CCS(=O)(=O)N1 1623580103 HCJVOWWKRDXCSI-HNNXBMFYSA-N 347.433 0.966 10 10 ECCE O=C(O)CNC(=O)c1ccc(NC(=O)c2cc(O)c(O)c(O)c2)cc1 1865876328 DFUZDYWAIHOFDO-UHFFFAOYSA-N 346.295 0.870 10 10 ECCE COC[C@H](ON)C(=O)NCc1ccc(C)c(Br)c1O 2352627850 RNQQVKYFTMBBLK-VIFPVBQESA-N 333.182 0.985 10 10 ECCE Cn1nnc(Br)c1S(=O)(=O)Nc1ccc(N)cc1 236102645 JMMYZLMZAKDMTC-UHFFFAOYSA-N 332.183 0.961 10 10 ECCE CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCC[C@H]1CCCN1 842248591 YVNRSTIAXUEEED-OAHLLOKOSA-N 332.448 0.969 10 10 ECCE 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NC(=O)[C@H]1CCCN(CCCNC(=O)Cc2ccc(O)c(O)c2)C1 1626313710 OSFSHWHPIPDABB-ZDUSSCGKSA-N 335.404 0.344 10 10 ECCE COc1ccc(CNC[C@@H](O)CNC(=O)[C@H]2CCC(=O)NC2)cc1C 1732647408 NXDPVDWNHUTJSN-LSDHHAIUSA-N 349.431 0.097 10 10 ECCE C[C@H](C(=O)NCc1ccc(O)cc1O)S(=O)(=O)C1CCOCC1 1643104135 NCKZDFJKYJXDOA-SNVBAGLBSA-N 343.401 0.696 10 10 ECCE C[C@H](C(=O)NCc1c(O)cccc1O)n1cnc2c(N)ncnc21 1652626224 SORBWCANUIWZQB-MRVPVSSYSA-N 328.332 0.697 10 10 ECCE CC(=O)N(C(=O)C(=O)Nc1ccccc1C(N)=O)c1ccc(N)cc1 170315344 GDGWYXDFAZQJJP-UHFFFAOYSA-N 340.339 0.886 10 10 ECCE CC[C@H](O)CN1CCN(CC(=O)NCc2ccc(N(C)C)cc2)CC1 118858020 QIMUQUPOFPVMCG-SFHVURJKSA-N 348.491 0.757 10 10 ECCE CS(=O)(=O)N[C@@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2O)C1 170912565 AXIKMGMPOHCCMU-LLVKDONJSA-N 329.378 0.814 10 10 ECCE CC(=O)C(=O)COC(=O)c1sccc1S(=O)(=O)N1CCCC1 808499501 ACSJITNTMITYDA-UHFFFAOYSA-N 345.398 0.848 10 10 ECCE CC(=O)C(=O)COC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 808518040 WOWRVJIENMDQDA-SECBINFHSA-N 338.272 0.494 10 10 ECCE 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Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1C[C@H]2COC[C@@H](C1)O2 1117395820 CCLYZLAICBAGDS-IYBDPMFKSA-N 347.415 0.303 10 10 ECCE Nc1nnn(CC(=O)N(Cc2ccco2)Cc2ccccc2O)n1 1149857450 KPYPWXAGYACFKJ-UHFFFAOYSA-N 328.332 0.783 10 10 ECCE CNC(=O)CN[C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 1317311110 ILKZPBWBVCFZTB-LBPRGKRZSA-N 332.364 0.399 10 10 ECCE Cc1c(C(=O)NCc2c(O)cccc2O)nnn1-c1ccn(C)n1 1456323594 UNGNVLYXDBAFBP-UHFFFAOYSA-N 328.332 0.650 10 10 ECCE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C1(CS(C)(=O)=O)COC1 1466790530 IBSCKVZFCLBCSH-JTQLQIEISA-N 343.401 0.206 10 10 ECCE COc1cc(C(=O)N[C@H]2C[C@@H](CNC(=O)C(F)F)C2)cc(OC)n1 1489793151 DNQHNCUANHGCBM-WAAGHKOSSA-N 343.330 0.989 10 10 ECCE COc1cc(C(=O)N[C@H](C)CNC(=O)c2cnc(C)[nH]2)cc(OC)n1 1720901544 VKZMLNBTRHVVJI-SECBINFHSA-N 347.375 0.679 10 10 ECCE CC(C)(NC(=O)c1cc(NS(C)(=O)=O)ccc1O)c1ncon1 1597835551 FJYFHTIGDBJTRL-UHFFFAOYSA-N 340.361 0.812 10 10 ECCE COCC(=O)N[C@@H](C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862277665 KJXJGGKJUVRONA-ZDUSSCGKSA-N 335.404 0.495 10 10 ECCE 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CN(CC(=O)NC(C)(C)C)C(=O)C(=O)N(C)Cc1ccccc1O 1326912176 NGSYAXBAISYASL-UHFFFAOYSA-N 335.404 0.724 10 10 ECCE CS(=O)(=O)Nc1ccc(O)c(C(=O)NCCN=S(C)(C)=O)c1 1471983057 KUDMWEFPJXEZCI-UHFFFAOYSA-N 349.434 0.221 10 10 ECCE Cn1ccn2c(CCNC(=O)NCc3ccccc3O)nnc2c1=O 1685240612 LOMSKLSLBJXIDR-UHFFFAOYSA-N 342.359 0.176 10 10 ECCE Cc1cc(O)n2ncc(C(=O)N(C)[C@H]3CCCCN(C)C3=O)c2n1 2062869007 ZVTXPMFTHRBIMQ-LBPRGKRZSA-N 331.376 0.826 10 10 ECCE CN[C@H](C)c1ccc(N2C[C@H](O)[C@H](O)[C@H]2CO)c(Br)c1 2201034989 PYEOCILQKRXXAH-ULTHFGNCSA-N 345.237 0.632 10 10 ECCE C[C@@H](NC(=O)C(=O)NCCOCCCN)c1ccc(N(C)C)cc1 861768194 ZDFSSSIJYZXTMJ-CYBMUJFWSA-N 336.436 0.411 10 10 ECCE O=C(CNC(=O)c1cccnc1)OCC(=O)c1ccc(O)c(O)c1 784210716 GKDPUVXCUZMZDP-UHFFFAOYSA-N 330.296 0.649 10 10 ECCE CN(C)c1ccc(CNC(=O)C(=O)N2C[C@H]3CC[C@H]2[C@@H](CO)C3)cc1 1261680361 WGJZDJGEAWROFZ-UXLLHSPISA-N 345.443 0.988 10 10 ECCE CC[C@@H](CNC(=O)[C@H]1CNC(=O)N1)NCc1ccc(OC)c(C)c1 1267817258 KMRHTMUZVMNEKV-UONOGXRCSA-N 334.420 0.669 10 10 ECCE 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COC(=O)C1CCN(S(=O)(=O)NCc2c(O)cccc2F)CC1 921452372 NDLRDDONOSVRFQ-UHFFFAOYSA-N 346.380 0.751 10 10 ECCE O=C(COC(=O)c1cn(C[C@H]2CCOC2)nn1)c1ccc(O)c(O)c1 860127251 UMAFPRDPWFWONS-SNVBAGLBSA-N 347.327 0.766 10 10 ECCE O=C(C(=O)N1CC[C@@H](n2cncn2)C1)N1Cc2cccc(O)c2C1 1119013918 JAEPTSBQOPXOLX-GFCCVEGCSA-N 327.344 0.300 10 10 ECCE CN(C)c1nc(N)nc(C(=O)NCc2ccc3cccnc3c2O)n1 1162613201 YUJJMLMVZSFJPY-UHFFFAOYSA-N 339.359 0.704 10 10 ECCE O=C(C(=O)N1CCC[C@](O)(C2CC2)C1)N1Cc2cccc(O)c2C1 1329874308 TWHOWBFDNLVHRT-GOSISDBHSA-N 330.384 0.998 10 10 ECCE C[C@@H]1CC[C@@H](NC(=O)C(=O)Nc2ccc(N)cc2)CS1(=O)=O 1333516716 QNQUWOBDFTXYSK-BXKDBHETSA-N 325.390 0.289 10 10 ECCE CCN(C)c1ccc(CN2CCOC[C@H]2CNS(C)(=O)=O)cc1 1335127480 NELZKFHKFJTQCZ-MRXNPFEDSA-N 341.477 0.893 10 10 ECCE COc1ccc(-n2nnnc2CN[C@H](C)CNC(=O)[C@@H]2C[C@H]2C)cc1 1265808605 HHHAOFNOFZXZJN-LALPHHSUSA-N 344.419 0.921 10 10 ECCE CC(=O)N/C(=C\C1=S=CC=C1)C(=O)Nc1ccnc2ccnn12 1465378469 WNUYASFCFTUNKD-XFXZXTDPSA-N 327.369 0.965 10 10 ECCE 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O=C1Nc2cc(N3CC[C@@H]3[C@H](O)CO)c(Br)cc2[C@H]1O 2286206164 HHDYDGMZUXNXDW-YUSALJHKSA-N 343.177 0.367 10 10 ECCE Cc1ccc(C(=O)N2CCC(C(=O)NCCN(C)C)CC2)c(O)c1O 271289894 QAPMGEHQDOVDRC-UHFFFAOYSA-N 349.431 0.936 10 10 ECCE NC(=O)c1cn(C2CN(Cc3c(O)ccc(Cl)c3F)C2)nn1 839142523 HRDGLHOWHPSSPC-UHFFFAOYSA-N 325.731 0.932 10 10 ECCE COc1ccc(N2CC[C@H](NC(=O)NC[C@H]3CNC(=O)C3)C2)cc1 852380424 NAQUNDVZEDZTER-OLZOCXBDSA-N 332.404 0.709 10 10 ECCE COCCCOCCN(C)C(=O)C(=O)N1Cc2cccc(O)c2C1 1348638008 ACAJVMIJTSMEHM-UHFFFAOYSA-N 336.388 0.746 10 10 ECCE O=C(NC1CCN(C(=O)c2cn[nH]c2)CC1)c1cccc(O)c1O 1298750895 FRVMZXITJBLCEA-UHFFFAOYSA-N 330.344 0.856 10 10 ECCE COc1cc(C(=O)N[C@H](CO)CNC(=O)C2=CCCC2)cc(OC)n1 1487972515 RXUVALLBJHYMMY-ZDUSSCGKSA-N 349.387 0.416 10 10 ECCE CC1=C(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)S(=O)(=O)CCO1 1638342544 PKRKUBMZBRIRNK-VIFPVBQESA-N 341.385 0.822 10 10 ECCE CN(CCNC(=O)c1ccc(N=NC(N)=O)cc1)Cc1cnn(C)n1 1567322099 RQFVIBLBSJGEQQ-UHFFFAOYSA-N 344.379 0.839 10 10 ECCE CN(C(=O)Cc1ccc(O)c(O)c1)[C@H]1CCN(S(C)(=O)=O)C1 1641322350 JBXVJFVSDXTSGR-NSHDSACASA-N 328.390 0.133 10 10 ECCE COc1ccc(CN[C@@H](CO)CNC(=O)c2cnc(C)cn2)cc1C 1676498402 BXURXMDQMJXCFS-OAHLLOKOSA-N 344.415 0.983 10 10 ECCE C[C@H](N)c1ccc(N2CC[C@](O)(CO)[C@@H](O)C2)c(Br)c1 2234099084 ZSDHJZQEHCUBSY-HERUPUMHSA-N 345.237 0.763 10 10 ECCE COc1ccc(N2CCCN(C(=O)CN3CC(=O)NC3=O)CC2)cc1 377604483 WZDXRSVTHXRKTI-UHFFFAOYSA-N 346.387 0.286 10 10 ECCE NC(=O)[C@H]1CCCN(c2ccc(CN3C(=O)N[C@H](CF)C3=O)cc2)C1 806671766 FERNUZGDSYDXJT-GXTWGEPZSA-N 348.378 0.778 10 10 ECCE CC(=O)C(=O)COC(=O)/C(=C\c1cccc(F)c1)n1nnnc1C 808493395 CGLUYWUVUVVDSS-NTUHNPAUSA-N 332.291 0.820 10 10 ECCE CS(=O)(=O)Nc1ccc(O)c(C(=O)N[C@H]2CCNC(=O)CC2)c1 854957368 REVQGJHHSWZMNW-SECBINFHSA-N 341.389 0.162 10 10 ECCE COc1ccc(N2CC[C@H](NC(=O)N[C@H]3COC[C@H]3OC)C2)cc1 852380428 NAWAAZJXHQESKK-VBNZEHGJSA-N 335.404 0.987 10 10 ECCE O=C1NN(c2ccccc2)C(=O)/C1=C/c1cn(C[C@H]2CCOC2)nn1 865216999 HFARMXWGYJRUQV-AZZDOICSSA-N 339.355 0.776 10 10 ECCE 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0.444 10 10 ECCE NCc1ccc(N2CC[C@@](O)(CO)[C@H](O)C2)c(F)c1Br 2234108712 VZFSPGQRLJUIQJ-ZWNOBZJWSA-N 349.200 0.341 10 10 ECCE N[C@H]1CCCC[C@H]1NC=C1C(=O)NC(=O)N(Cc2ccco2)C1=O 2296139046 NQMLYQHGLIYKKQ-QWHCGFSZSA-N 332.360 0.601 10 10 ECCE CN(C)C(=O)NCCNC(=O)C=Cc1ccc(N2CCOCC2)cc1 2306339753 LRUKMGPJAJHPLT-UHFFFAOYSA-N 346.431 0.924 10 10 ECCE C[C@@H]1CN(CC(=O)NCc2ccc(N(C)C)cc2)CCN1CCO 187715116 QBJDOWKKFCSMMS-OAHLLOKOSA-N 334.464 0.367 10 10 ECCE COC(=O)CC[C@@H](N)C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 852843866 ITUCJZVBMMGGOK-IUODEOHRSA-N 335.404 0.671 10 10 ECCE CN(C)c1ccc(CNC(=O)C(=O)N2CC3CC2(CN)C3)cc1F 851684759 KTRIYSNOEQOTQW-UHFFFAOYSA-N 334.395 0.458 10 10 ECCE Cc1nn(CC(=O)NCc2ccc3cccnc3c2O)c(=O)n1C 862025148 NSOAOCMHBQOSJR-UHFFFAOYSA-N 327.344 0.460 10 10 ECCE CNC(=O)Cn1cc(NC(=O)NCc2ccc(OC)cc2O)cn1 797640271 TUGDFBOIOMJWNZ-UHFFFAOYSA-N 333.348 0.665 10 10 ECCE CN(C)c1ccc(CNC(=O)C(=O)N2CC[C@@]23CCOC3)cc1F 1261393409 BWUDFIJXGQLZFA-KRWDZBQOSA-N 335.379 0.899 10 10 ECCE O=C(NCCc1ccc(O)c(O)c1)c1cn(C(F)(F)CO)nn1 1566370334 WGNDGUJRYYBGQR-UHFFFAOYSA-N 328.275 0.203 10 10 ECCE NC(=O)C[C@H](N)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866106323 YSCKCVGVUQSILK-LBPRGKRZSA-N 337.335 0.603 10 10 ECCE COCC1(O)CN(c2cc3c(cc2Br)[C@@H](N)C(=O)N3)C1 384124124 JXWSZFZDOUAAMT-LLVKDONJSA-N 342.193 0.599 10 10 ECCE C[C@@H](N)c1ccc(N2C[C@@H](O)[C@@H](O)[C@@H]2CO)cc1Br 2332923880 ZURHPOWYGSOZOQ-KQXJFYCDSA-N 331.210 0.372 10 10 ECCE CN1C[C@H](CCNC(=O)C(=O)N2Cc3cccc(O)c3C2)CC1=O 1333692485 UFYBLCDSHGUMKY-LLVKDONJSA-N 331.372 0.219 10 10 ECCE CCn1nncc1C(=O)NC[C@@H](CO)NCc1ccc(OC)c(C)c1 1283756976 PHLUECZSCGEWEA-AWEZNQCLSA-N 347.419 0.496 10 10 ECCE CNC(=O)NCC(=O)N[C@H]1C[C@H](CNCc2ccc(OC)c(C)c2)C1 1571122019 PBUCVKXYYFENCQ-SHTZXODSSA-N 348.447 0.917 10 10 ECCE COc1ccc(CNC[C@@H](C)CNC(=O)[C@@H]2CCNC2=O)cc1C 1666599626 IKAXMZWNLQRXMG-IUODEOHRSA-N 333.432 0.982 10 10 ECCE N[C@@H]1C[C@@H]2CN(Cc3cc(Br)ccc3O)CCN2C1=O 1972665607 XYYSPEGPKGZYOW-VXGBXAGGSA-N 340.221 0.899 10 10 ECCE COCCNCc1ccc(N2CC(O)(CO)C2)cc1Br 2171949214 ULNSDVBCMWFPBI-UHFFFAOYSA-N 345.237 0.729 10 10 ECCE CN[C@H]1C(=O)Nc2cc(N3C[C@@H](O)[C@H](O)C3)c(Br)cc21 2354197339 HHDCZAJCFQZACA-IJLUTSLNSA-N 342.193 0.204 10 10 ECCE COc1ccc(N2CCN(C(=O)C(=O)NC[C@H]3CCCO3)CC2)cc1 243281917 LAYTXBLQGJKTQW-MRXNPFEDSA-N 347.415 0.639 10 10 ECCE C[C@H](NC(=O)C(=O)NCCCn1ccnn1)c1ccc(N(C)C)cc1 806998442 JDIXUXNXUTVMTO-ZDUSSCGKSA-N 344.419 0.728 10 10 ECCE C[C@H](NC(=O)C(=O)N1CCO[C@H]([C@@H](C)O)C1)c1ccc(N(C)C)cc1 817834029 UYMMKHWUKRILMJ-ZENOOKHLSA-N 349.431 0.538 10 10 ECCE Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)CS(=O)(=O)N(C)C 839920793 UERWMBGBIZNPIV-ZDUSSCGKSA-N 341.477 1.000 10 10 ECCE CN1C[C@@H](O)C[C@@]1(C)C(=O)NCc1ccc(N2CCC(O)CC2)cc1 912709568 PGKOQQMYUAHROV-HKUYNNGSSA-N 347.459 0.719 10 10 ECCE C[C@H](O)[C@H]1CN(C(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)CCO1 840977393 HXHSDVTWVCJLCQ-XJKSGUPXSA-N 349.431 0.319 10 10 ECCE COC1CCN(c2ccc(CN3C[C@H](O)C[C@H]3C(N)=O)cc2)CC1 854115539 WFNJNTBRBHXCNB-WBVHZDCISA-N 333.432 0.722 10 10 ECCE CCOC(=O)c1cnn2c(O)cc(CN3CC[C@H]4CN(C)C[C@@H]43)nc12 794929960 PPWJLHMTAWKZNJ-FZMZJTMJSA-N 345.403 0.748 10 10 ECCE CC(C)(C)OC(=O)N1CCN(CC(=O)NCCN=[N+]=[N-])C(=O)C1 1963815622 AVJROASSNRYKSB-UHFFFAOYSA-N 326.357 0.492 10 10 ECCE [N-]=[N+]=NCCCNS(=O)(=O)CCN1C(=O)c2ccccc2C1=O 703995839 CCEOXRFVKRNZEL-UHFFFAOYSA-N 337.361 0.902 10 10 ECCE O=C(CS(=O)(=O)C1CC1)NCc1ccc(N2CCOCC2)cc1 1292066327 STUBPNRKVIADOO-UHFFFAOYSA-N 338.429 0.717 10 10 ECCE CC(C)(C)OC(=O)NCC(=O)NCC(=O)N1CCC[C@@H](N=[N+]=[N-])C1 2010404532 SDCYSJXBTPMPSR-SNVBAGLBSA-N 340.384 0.929 10 10 ECCE CN(Cc1ccccc1O)C(=O)Cn1cnc2c(cnn2C)c1=O 53915173 ABTYXDSMRZHAJM-UHFFFAOYSA-N 327.344 0.494 10 10 ECCE CC(CO)(CO)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 133992619 PRTBKRUZKCOMSR-UHFFFAOYSA-N 326.368 0.269 10 10 ECCE COc1ccc(N2CCN(C(=O)CN3CCN(C=O)CC3)CC2)cc1 243534999 OFOSZEWRMJMAHD-UHFFFAOYSA-N 346.431 0.118 10 10 ECCE C[C@@]1(C2CC2)NC(=O)N(CC(=O)NCc2c(O)cccc2F)C1=O 928709833 MICPCVCFPFTYGY-INIZCTEOSA-N 335.335 0.868 10 10 ECCE COc1ccc(N2CC[C@H](NC(=O)[C@]34CNC[C@H]3COC4)C2)cc1 852843902 JNSUSGBMMRTUMG-DEYYWGMASA-N 331.416 0.626 10 10 ECCE CNC[C@@H](C)NC(=O)C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 851690699 ARLHWGUBNRBUDI-CHWSQXEVSA-N 334.420 0.114 10 10 ECCE CC(=O)N1CCN(c2ccc(CNC(=O)[C@@H]3COC(=O)N3)cc2)CC1 861214425 YAOSCEBARBIDDV-HNNXBMFYSA-N 346.387 0.080 10 10 ECCE COc1cc(N2CCC[C@H]2CS(N)(=O)=O)c([N+](=O)[O-])cc1OC 779905641 YMXCDEKUIIRSQI-VIFPVBQESA-N 345.377 0.869 10 10 ECCE CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H](C)NS(=O)(=O)CC 1140198656 MYUDCQPFSSVDHT-JTQLQIEISA-N 335.422 0.822 10 10 ECCE CC(C)(C)OC(=O)N[C@H](CS(C)(=O)=O)C(=O)N1CC(N=[N+]=[N-])C1 1899532280 DWXSUMHEVGEHKH-SECBINFHSA-N 347.397 0.445 10 10 ECCE O=C(NCCS(=O)(=O)C1CCOCC1)c1cccc(O)c1O 1158658107 IXTXGVZNLLXKDE-UHFFFAOYSA-N 329.374 0.421 10 10 ECCE COc1ccc(CNCC[C@@H](C)NC(=O)Cn2cnnn2)cc1C 1320345342 WYDBVLDBNIKVLQ-CYBMUJFWSA-N 332.408 0.675 10 10 ECCE CNC1CCN(C(=O)C(=O)NCc2ccc3c(c2)CCCN3C)CC1 1345171008 QPLYZNOLUDQLJG-UHFFFAOYSA-N 344.459 0.896 10 10 ECCE COc1cc(C(=O)N[C@H](C)CNC(=O)c2ccn(C)n2)cc(OC)n1 1284244142 NCVCPGNYPCSOGO-SNVBAGLBSA-N 347.375 0.381 10 10 ECCE CNCc1ccc(N2CCN(CC(N)=O)CC2)cc1Br 705999268 YDNUGYBGOUYKST-UHFFFAOYSA-N 341.253 0.776 10 10 ECCE O=C(O)[C@]1(O)CCN(Cc2ccc(Br)cc2O)C[C@H]1O 2197460939 GKYNSJNQHNHFDM-YPMHNXCESA-N 346.177 0.537 10 10 ECCE NC(=O)CC[C@H](C(=O)O)N1C(=O)C(=Cc2ccc[nH]2)SC1=S 2314540866 AGXQYJPBSSIDEY-MRVPVSSYSA-N 339.398 0.935 10 10 ECCE CN1CCN(C[C@H](O)CNCc2ccc(N3CCOCC3)cc2)CC1 818973719 VZIMDFLEJNWDQS-LJQANCHMSA-N 348.491 0.221 10 10 ECCE C[C@H]1C(=O)N(C)CN1C(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 843254106 MGYODNOGSZWKEH-LBPRGKRZSA-N 332.404 0.358 10 10 ECCE COc1ccc(N2CC[C@@H](NS(=O)(=O)c3cnnn3C)C2)cc1 849416243 NCZOPABPXUMWCG-LLVKDONJSA-N 337.405 0.381 10 10 ECCE COc1ccc(O)c([C@H](C)NS(=O)(=O)C[C@H]2CN(C)CCO2)c1 866841677 KEWIJYVVWAOSNS-WCQYABFASA-N 344.433 0.712 10 10 ECCE COC(=O)c1cn([C@@H]2CCN(C(=O)Cc3ccc(O)c(O)c3)C2)nn1 1138069097 FDALHXRXFFCRDT-LLVKDONJSA-N 346.343 0.492 10 10 ECCE NC(=O)N=Nc1ccc(C(=O)NCCN2CCCS2(=O)=O)cc1 1142582389 KUIKPZKVNDICLH-UHFFFAOYSA-N 339.377 0.614 10 10 ECCE NC(=O)N=Nc1ccc(C(=O)N2CCN(c3nc[nH]n3)CC2)cc1 1300057983 QZPXCIXONQHIMI-UHFFFAOYSA-N 328.336 0.930 10 10 ECCE NS(=O)(=O)Cc1ccc(C(=O)NCc2c(O)cccc2O)cc1 1304051109 UKSCKLYRMVSFGM-UHFFFAOYSA-N 336.369 0.816 10 10 ECCE CO[C@H]1C[C@H](CNC(=O)c2cc(NS(C)(=O)=O)ccc2O)C1 1558152735 BHBKPRXGTQZJJT-HOMQSWHASA-N 328.390 0.919 10 10 ECCE Cc1nc(O)nc(O)c1CC(=O)N[C@H](C)Cc1ccc(O)c(O)c1 1638348638 WFXLVDYECGRGCD-MRVPVSSYSA-N 333.344 0.897 10 10 ECCE NS(=O)(=O)CCCC(=O)NCc1ccc(N2CCOCC2)cc1 1631068869 ANPQLMBMMNGDFC-UHFFFAOYSA-N 341.433 0.208 10 10 ECCE O=C(CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)NCc1cccc(O)c1O 1644708397 JVOUGCDPCUVHCS-CHPZLBCBSA-N 342.351 0.521 10 10 ECCE COc1ccc(CNC[C@H](C)NC(=O)CS(C)(=O)=O)cc1C 1669520842 NYBRHRYXPYGGGX-LBPRGKRZSA-N 328.434 0.643 10 10 ECCE [N-]=[N+]=NCCCCN1C[C@H](NC(=O)C(F)(F)F)C[C@@H](C(N)=O)C1 2006175608 DZCNSDZMDHIFGH-RKDXNWHRSA-N 336.318 0.931 10 10 ECCE O=C(O)[C@]1(O)CCN(Cc2cc(Br)ccc2O)C[C@H]1O 2197465845 QIPCMJACSISQKH-YPMHNXCESA-N 346.177 0.537 10 10 ECCE CSc1ncc(CNC(=O)C[C@@H]2CNCCS2(=O)=O)s1 2284498095 HXQSXOLUSFENHY-SECBINFHSA-N 335.476 0.258 10 10 ECCE CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCC3(COC3)C2)c1 856193701 MXMCPSSMCSIWHA-UHFFFAOYSA-N 326.374 0.626 10 10 ECCE Cc1nc(CN(C)C(=O)c2cc(NS(C)(=O)=O)ccc2O)no1 781435191 BIGZHJMGEHMZTH-UHFFFAOYSA-N 340.361 0.727 10 10 ECCE COC(=O)[C@]1(O)CCN(Cc2ccc(N3CCC(O)CC3)cc2)C1 895702784 VLWYNSDOQGHNTB-SFHVURJKSA-N 334.416 0.758 10 10 ECCE O=C(NCc1c(O)cccc1O)[C@H]1COCCN1CC(F)(F)F 1304053502 MKAFBHOINXTKIS-SNVBAGLBSA-N 334.294 0.977 10 10 ECCE CNC(=O)CN(C)CCCNC(=O)c1ccc(N=NC(N)=O)cc1 1316867531 NOUMDQYCTBTQFI-UHFFFAOYSA-N 334.380 0.647 10 10 ECCE O=C([C@H]1Nc2ccccc2S(=O)(=O)N1)N1Cc2cccc(O)c2C1 1471355744 TXSVBYNDDLTANG-HNNXBMFYSA-N 345.380 0.965 10 10 ECCE O=C(Cc1ccc(O)c(O)c1)N1CCC[C@H](n2cc(CO)nn2)C1 1637808046 DWGZYKDWCPBFJH-ZDUSSCGKSA-N 332.360 0.588 10 10 ECCE CNC(=O)NCC(=O)N1CC[C@H](NCc2ccc(OC)c(C)c2)C1 1566766326 LFUUJOCHQDMYLU-AWEZNQCLSA-N 334.420 0.623 10 10 ECCE O=C(CCN1C(=O)NC2(CCCC2)C1=O)NCc1c(O)cccc1O 1645360525 AOSXDLOXOWSCQP-UHFFFAOYSA-N 347.371 0.969 10 10 ECCE CCOC(=O)c1c(NC(=O)[C@H](O)[C@@H](O)C(=O)O)sc2c1CCC2 1865945975 JVMCXLZCDIKESC-NXEZZACHSA-N 343.357 0.158 10 10 ECCE CN(CCN=[N+]=[N-])C(=O)[C@@H]1[C@@H](O)[C@H](O)CCN1C(=O)OC(C)(C)C 2012237360 FFIXNPAMURTWEH-VWYCJHECSA-N 343.384 0.486 10 10 ECCE N[C@@H]1C(=O)Nc2cc(N3C[C@H](F)[C@H](O)C3)c(Br)cc21 2092828959 MPYUWUWLHYQMSH-XROYCOCOSA-N 330.157 0.920 10 10 ECCE CCNS(=O)(=O)c1ccc(F)c(C(=O)OCC(=O)C(C)=O)c1 808506920 WWGZPSQJBDQNEH-UHFFFAOYSA-N 331.321 0.439 10 10 ECCE C[C@@H]1CCNC[C@@H]1NC(=O)C(=O)NCc1ccc(N(C)C)c(F)c1 842149050 UNMOXAKKYBMNHR-RISCZKNCSA-N 336.411 0.622 10 10 ECCE C[C@@H](NC=C1C(=O)NC(=S)NC1=O)c1ccc(-n2cncn2)cc1 920979907 YYOFOWPSQURICH-SECBINFHSA-N 342.384 0.333 10 10 ECCE CN(C)c1ccc2c(c1)OCCN2Cc1cc(=O)n2nc(N)[nH]c2n1 856732122 DSVVZVVXOXSRLH-UHFFFAOYSA-N 341.375 0.465 10 10 ECCE CN(C)c1ccc(CNS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])cc1 858883672 VCJXCFLAMVQWLH-UHFFFAOYSA-N 339.377 0.873 10 10 ECCE COc1ccc(CNS(=O)(=O)[C@@H]2CC(=O)N(C3CC3)C2)c(O)c1 867217965 UNHZPVAIYHFBPI-CYBMUJFWSA-N 340.401 0.584 10 10 ECCE CC(=O)c1cn(C2CN(C(=O)/C=C/c3ccc(O)c(O)c3)C2)nn1 1158905341 HLQAPJONMPRVJB-HWKANZROSA-N 328.328 0.989 10 10 ECCE COc1ccc(CN[C@H](CO)CNC(=O)c2ccn(C)n2)cc1C 1717784718 VMRHLDNTTGWBCR-AWEZNQCLSA-N 332.404 0.618 10 10 ECCE COc1ccc(CN[C@@H](CO)CNC(=O)Cc2nnc(C)o2)cc1C 1485993048 ZDGAPQOLJUMSMN-CQSZACIVSA-N 348.403 0.504 10 10 ECCE C[C@@H]1C[C@H](NC(=O)Cc2ccc(O)c(O)c2)C(=O)N1c1cnn(C)c1 1629050401 WSPSPILYKGDCAZ-MFKMUULPSA-N 344.371 0.684 10 10 ECCE COC(=O)c1cc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)n(C)n1 1638347908 MTKACODDLJRCAI-VIFPVBQESA-N 333.344 0.979 10 10 ECCE CC1(C)C[C@H](O)CN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)C1 1643719414 BSYDAKPBWAVTEY-NSHDSACASA-N 342.417 0.997 10 10 ECCE Nc1ccc(OC[C@@H](O)CN2CC(CNC(=O)C(F)(F)F)C2)cc1 2044607893 JZMRTKPCGADVAW-LBPRGKRZSA-N 347.337 0.619 10 10 ECCE NCc1ccc(N2C[C@H](O)[C@H](O)[C@H](CO)C2)c(F)c1Br 2289486471 WRCYAHJHNKAJMH-GMOODISLSA-N 349.200 0.197 10 10 ECCE CCN(CCN=[N+]=[N-])S(=O)(=O)c1c(Br)nnn1C 2315986613 GEWAZOQFLRUVFL-UHFFFAOYSA-N 338.191 0.899 10 10 ECCE C[C@H](NC(=O)C(=O)N1CC(=O)N(C)[C@@H](C)C1)c1ccc(N(C)C)cc1 807672467 ZJCOTMLIZKDDNX-STQMWFEESA-N 346.431 0.619 10 10 ECCE CCN(CC(N)=O)c1cc2c(cc1Br)[C@H](N)C(=O)N2 723181302 JASSNADSBUTPPL-NSHDSACASA-N 327.182 0.713 10 10 ECCE CO[C@@H](C)CN1CC(O)(CNC(=O)c2ccc(N=NC(N)=O)cc2)C1 1325318844 PYNVNYLJVPGLIN-NSHDSACASA-N 349.391 0.660 10 10 ECCE COc1nc(C(=O)NC[C@H](CO)NCc2ccc(OC)c(C)c2)co1 1700797941 KWADCCXIGURQCY-CYBMUJFWSA-N 349.387 0.881 10 10 ECCE COc1ccc(CNC[C@H](O)CN(C)C(=O)c2cncn2C)cc1C 1725698003 QCDWQUCZVCCMFN-HNNXBMFYSA-N 346.431 0.960 10 10 ECCE COc1ccc(CN[C@H](C)CNC(=O)CN2C(=O)CCC2=O)cc1C 1774047236 BDBVFCMODBMQSN-CYBMUJFWSA-N 347.415 0.747 10 10 ECCE CC(C)(C)OC(=O)N1CC[C@H](O)[C@@H](O)[C@H]1C(=O)N1CC(N=[N+]=[N-])C1 2012237265 CYMKGBUULKXBNF-GARJFASQSA-N 341.368 0.239 10 10 ECCE CC(=O)N[C@@H]1[C@H](O)[C@@H]2OC(C)(C)OC[C@H]2O[C@H]1OCCN=[N+]=[N-] 2037797772 RXBZMDAVXOKPHD-RMPHRYRLSA-N 330.341 0.055 10 10 ECCE Cc1cc(O)n2ncc(C(=O)N3CCN(c4cnn(C)c4)CC3)c2n1 2063369989 DIFRXRKCFXJFGG-UHFFFAOYSA-N 341.375 0.439 10 10 ECCE NCc1ccc(N2CC[C@](O)(CO)[C@@H](O)C2)cc1Br 2225730211 SDOPHONBYVFNQT-STQMWFEESA-N 331.210 0.202 10 10 ECCE COc1ccc(N2CCN(C(=O)NC[C@@H]3CN(C)CCO3)CC2)cc1 170924851 JIHGCLSBUWCZDN-QGZVFWFLSA-N 348.447 0.857 10 10 ECCE NC(=O)[C@@H]1CCN(c2cc3c(cc2Br)[C@H](N)C(=O)N3)C1 723175116 GFBFGKSQYQGANJ-KBUNVGBDSA-N 339.193 0.713 10 10 ECCE C[C@@H]1CCNC[C@H]1NC(=O)C(=O)NCc1ccc(N(C)C)c(F)c1 842149048 UNMOXAKKYBMNHR-BXUZGUMPSA-N 336.411 0.622 10 10 ECCE CCN(C(=O)c1cc(NS(C)(=O)=O)ccc1O)[C@H]1CCN(C)C1 855360288 JYKHNBIXSOIQHX-LBPRGKRZSA-N 341.433 0.930 10 10 ECCE COc1ccc(CNC[C@H](C)CNC(=O)[C@H](C)NC(N)=O)cc1C 1267978392 CVZSUWJJIPXJGA-AAEUAGOBSA-N 336.436 0.902 10 10 ECCE COc1ccc(CNC[C@@H](O)CN(C)C(=O)c2cn[nH]c2)cc1C 1725691169 YMRBEGMOQZEYQO-OAHLLOKOSA-N 332.404 0.949 10 10 ECCE Cc1c(C(=O)NCc2ccc(O)cc2O)nnn1-c1cnn(C)c1 1638352980 XWSAGLFESRVQGX-UHFFFAOYSA-N 328.332 0.650 10 10 ECCE Cn1c(=O)c2cc(C(=O)NCc3ccccc3O)sc2n(C)c1=O 1566373719 BHAIMTLEHMQEGD-UHFFFAOYSA-N 345.380 0.934 10 10 ECCE COc1ccc(O)c(CN2CCCN(S(=O)(=O)N(C)C)CC2)c1 367972110 IPZCSFDIGCEMAT-UHFFFAOYSA-N 343.449 0.715 10 10 ECCE Cc1ccc(C(=O)N[C@H]2CCC[C@H]2CNS(C)(=O)=O)c(O)c1O 800671018 PRVFMNVPVUONMB-JQWIXIFHSA-N 342.417 0.854 10 10 ECCE CC(=O)C(=O)COC(=O)CN1C(=O)NC2(C[C@@H](C)C[C@H](C)C2)C1=O 808531614 VBONTLYSBQTFHL-UWVGGRQHSA-N 338.360 0.434 10 10 ECCE Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CCO[C@H]([C@H](C)O)C1 817828315 CMGMTUBYBRMFME-BBRMVZONSA-N 349.431 0.285 10 10 ECCE Cc1noc([C@@H]2OCC[C@@H]2NC(=O)C(=O)Nc2ccc(N)cc2)n1 1330003147 JUIPMVHMEUOKRO-NWDGAFQWSA-N 331.332 0.545 10 10 ECCE CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)Cc1cncn1C 1447348704 RLTQHPDRHCKPRJ-ZDUSSCGKSA-N 347.371 0.664 10 10 ECCE COC(=O)[C@H](CCC1OCCO1)NC(=O)Cc1ccc(O)c(O)c1 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CN(C)c1ccc([C@@H]2CC(c3c(O)[nH]c(=O)n(C)c3=O)=NN2)cc1 101763598 ZPGSKYTUMDLMEW-NSHDSACASA-N 329.360 0.284 10 10 ECCE OC1CCN(c2ccc(CNC[C@@H](O)Cn3cccn3)cc2)CC1 853121476 FHIWYRKREPNGCO-GOSISDBHSA-N 330.432 0.995 10 10 ECCE CN(CCN1CCOCC1)c1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 761889021 JMTTVKKYGIQFHO-UHFFFAOYSA-N 336.348 0.694 10 10 ECCE CC(C)N1CCc2c(c3ccccc3n2CC(=O)NOCC(N)=O)C1 768178518 ACZKBCFSAOREEW-UHFFFAOYSA-N 344.415 0.941 10 10 ECCE CN(C)c1ccc(CNC(=O)C(=O)N2CC[C@@]3(CNC(=O)C3)C2)cc1 1321419560 IFBRXMJOCUQGDB-GOSISDBHSA-N 344.415 0.107 10 10 ECCE CN(Cc1ccccc1O)C(=O)NCc1nnc2c(=O)n(C)ccn12 1254667347 SCHCHAUZWCKKIQ-UHFFFAOYSA-N 342.359 0.475 10 10 ECCE CC(=O)N1C[C@H]2CN(Cc3ccccc3O)CCN2[C@](C)(CO)C1 1615258211 BYGYPBMKUWFKPT-AEFFLSMTSA-N 333.432 0.492 10 10 ECCE COc1ccc(CN[C@H](CNC(=O)Cn2ncnn2)C2CC2)cc1C 1713864570 AGUWJBSTELIOGY-OAHLLOKOSA-N 344.419 0.675 10 10 ECCE O=C(NCCS(=O)(=O)C1CCOCC1)c1c(F)ccc(O)c1O 1654583963 ITJXMYGYEUIAMY-UHFFFAOYSA-N 347.364 0.561 10 10 ECCE CCN(C)C(=O)CN(C)CCNC(=O)c1ccc(N=NC(N)=O)cc1 1691002346 BIXYVHWLTILTGT-UHFFFAOYSA-N 348.407 0.989 10 10 ECCE CC(C)NCc1ccc(N2CC(O)(C(N)=O)C2)cc1Br 1915250421 OUJAAUJDYMZONS-UHFFFAOYSA-N 342.237 0.984 10 10 ECCE CC(C)(C)OC(=O)NCC1(O)CN(C(=O)c2ccc(O)c(O)c2)C1 2006283551 ITYAIJSFSLZXFG-UHFFFAOYSA-N 338.360 0.809 10 10 ECCE Cc1cc(O)n2ncc(C(=O)N3CCN(CC(C)(C)O)C[C@@H]3C)c2n1 2062283252 RZSVUKUJXFZUJN-LBPRGKRZSA-N 347.419 0.661 10 10 ECCE CC(=O)N1CCN(C(=O)c2cnn3c(O)cc(C)nc23)C(C)(C)C1 2062512820 DEQIVEIXFWCFDX-UHFFFAOYSA-N 331.376 0.826 10 10 ECCE O=C1NC(=O)[C@@]2(CCN(Cc3cccc(Br)c3O)C2)N1 768911838 FBJUYHFVYPJPRI-ZDUSSCGKSA-N 340.177 0.939 10 10 ECCE O=C(O)[C@H]1[C@H](O)[C@H](O)CCN1Cc1cc(Br)ccc1O 2357919672 MVNYETSDLZVQLP-IJLUTSLNSA-N 346.177 0.535 10 10 ECCE O=C(/C=C\c1ccc(N2CCOCC2)cc1)N[C@@H]1CCCNC1=O 96054756 XQCKYCFVEMBZOF-KQQSKNTNSA-N 329.400 0.931 10 10 ECCE CC(=O)C(=O)COC(=O)c1cccc(C(=O)OCC(=O)C(C)=O)c1 808498643 SLXGIURVZNIRBF-UHFFFAOYSA-N 334.280 0.316 10 10 ECCE CN(C)S(=O)(=O)[C@H]1CCCN(C(=O)c2c(F)ccc(O)c2O)C1 296181633 LQCHLNFDONOVDM-VIFPVBQESA-N 346.380 0.733 10 10 ECCE CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NC(=O)c1cccc(O)c1O 800668716 WXGIQTQUVIFBFD-ONGXEEELSA-N 328.390 0.546 10 10 ECCE C[C@@H]1C[C@H](NC(=O)C(=O)NCc2ccc(N(C)C)cc2)c2ncnn21 826707377 SVNHVZSTPSVERC-RISCZKNCSA-N 342.403 0.783 10 10 ECCE CNC(=O)CN1CCC(NC(=O)NCc2c(O)cccc2F)CC1 914115733 FTLKEHOCTQBWSH-UHFFFAOYSA-N 338.383 0.541 10 10 ECCE COc1cc(O)c(CN2CN(CCN(C)C)C(=O)[C@@H]2C)cc1OC 843428017 FKCWNNFJDGNDAK-LBPRGKRZSA-N 337.420 0.961 10 10 ECCE CO[C@@H](CNC(=O)C(=O)NCCc1ccc(N)cc1)[C@H]1CCOC1 851688150 RKQUBJKQMFZBPH-ZFWWWQNUSA-N 335.404 0.095 10 10 ECCE COc1ccc(N2CCN(C(=O)CN3C(=O)O[C@@H](C)C3=O)CC2)cc1 871781154 BUZPCBWACXXZHN-LBPRGKRZSA-N 347.371 0.711 10 10 ECCE CN(Cc1ccccc1O)C(=O)NCc1nnc2n1CCNC2=O 1313217545 WMTLPYPGOVPFMC-UHFFFAOYSA-N 330.348 0.069 10 10 ECCE COc1ccc(CN[C@H](CO)CNC(=O)Cc2cnn(C)c2)cc1C 1278053561 HYVQHYKFFYQDEQ-INIZCTEOSA-N 346.431 0.547 10 10 ECCE CN(C)c1ccc([C@@H](CNC(=O)Cn2nccc2N)N(C)C)cc1 1472281488 XFIUCMUGGMQUEC-OAHLLOKOSA-N 330.436 0.950 10 10 ECCE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](O)[C@@H]1C(=O)NCCCCN=[N+]=[N-] 2022958879 HZPDTLQLXLPLAG-AXFHLTTASA-N 343.384 0.534 10 10 ECCE CN1C(=O)NC(=O)C(=C2C[C@@H](c3ccc(N(C)C)cc3)NN2)C1=O 2296554315 MYCIBIURGYRFNH-NSHDSACASA-N 329.360 0.254 10 10 ECCE CC(=O)C(=O)COC(=O)CN1C(=O)N[C@@]2(CCCC(C)(C)C2)C1=O 808527613 KDRRWVXBEGQRCJ-MRXNPFEDSA-N 338.360 0.579 10 10 ECCE Cc1cc(N(C)C)ccc1CNCC[C@H]1CNCCS1(=O)=O 903969894 MSPHQYUJSQJFSO-INIZCTEOSA-N 325.478 0.927 10 10 ECCE Cn1ncc2c(=O)n(CC(=O)N3Cc4cccc(O)c4C3)cnc21 871199318 WGMNRBPRSHITAX-UHFFFAOYSA-N 325.328 0.378 10 10 ECCE COc1ccc(N2CC[C@@H](NC(=O)N[C@@H]3CCOC[C@H]3O)C2)cc1 875715383 HVWNIVDKWBTRNX-DAXOMENPSA-N 335.404 0.723 10 10 ECCE CNS(=O)(=O)c1cccc(C(=O)NCc2ccc(O)cc2O)c1 1142529840 HZXYIEMUQDHZSQ-UHFFFAOYSA-N 336.369 0.936 10 10 ECCE CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)NCc1c(O)cccc1O 1304053085 BXOWTYRDZCOXAP-LBPRGKRZSA-N 330.406 0.678 10 10 ECCE CN(CCNC(=O)c1ccc(N=NC(N)=O)cc1)[C@@H]1CCNC1=O 1714574978 ZRDHHNCCCSHYQQ-GFCCVEGCSA-N 332.364 0.399 10 10 ECCE COc1ccc(CNC[C@H](C)CNC(=O)CS(C)(=O)=O)cc1C 1495630605 GSJKGRKPFXQVMB-LBPRGKRZSA-N 342.461 0.890 10 10 ECCE COc1ccc(CN[C@@H](CO)CNC(=O)c2cn(C)c(O)n2)cc1C 1734377457 RYRBXMILQNCSMD-CYBMUJFWSA-N 348.403 0.323 10 10 ECCE COCCNCc1ccc(N2C[C@@H](O)[C@H](O)C2)cc1Br 234697245 VIZIFBLMIMKMSK-ZIAGYGMSSA-N 345.237 0.727 10 10 ECCE O=S1(=O)C[C@H](O)[C@@H](NCc2c(O)cccc2Br)C1 2057710769 YBRJACHIMBMBFM-ONGXEEELSA-N 336.207 0.402 10 10 ECCE O=C1NC(=S)N(c2ccccc2F)C(=O)C1=CN1CCOCC1 2297358319 QRXCETBJXRNDBT-UHFFFAOYSA-N 335.360 0.790 10 10 ECCE Cc1ccc2c(c1)OCCN2C(=O)C=Cc1cn(C)c(=O)n(C)c1=O 2297662424 RKVYLDCMYICXTK-UHFFFAOYSA-N 341.367 0.831 10 10 ECCE CCOC(=O)CC(C)(C)CC(=O)C(=O)c1nc(C)n(-c2nc[nH]n2)n1 819755296 FREVLMVFVAVXJI-UHFFFAOYSA-N 348.363 0.815 10 10 ECCE Nc1ccc(CCNC(=O)C(=O)N2CCc3ccnc(O)c3C2)cc1 842234759 BQTGMFFCONFRBE-UHFFFAOYSA-N 340.383 0.613 10 10 ECCE CS(=O)(=O)N1CCCC[C@H]1C(=O)NCc1c(O)cccc1F 928710167 PAJQJJCNBTVRCE-LBPRGKRZSA-N 330.381 0.962 10 10 ECCE CCOC(=O)[C@H](CO)NC(=O)c1cc2cc(O)c(O)cc2s1 1545885723 GQMWBLAKUYMYEQ-QMMMGPOBSA-N 325.342 0.966 10 10 ECCE COc1ccc(CN[C@H](CO)CNC(=O)c2cnnc(C)c2)cc1C 1676524631 MIBMSIPMDGDNBT-INIZCTEOSA-N 344.415 0.983 10 10 ECCE NCc1ccc(N2C[C@@H]3OC[C@H](CO)O[C@H]3C2)c(Br)c1 2279774729 JZGPXRMZJFWZGT-BPNCWPANSA-N 343.221 0.873 10 10 ECCE COCCCNC(=O)C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 826603421 KZPPKQLOBNCYEL-CYBMUJFWSA-N 335.404 0.543 10 10 ECCE C[C@H]1CCNC[C@@H]1NC(=O)C(=O)NCc1ccc2c(c1)CCCN2C 842150237 PDPOTHZMKJOFSB-BBRMVZONSA-N 344.459 0.799 10 10 ECCE C[C@@H]1CNCC[C@H]1NC(=O)C(=O)NCc1ccc(N(C)C)c(F)c1 842149375 XOTZLGNKRTUQLZ-BXUZGUMPSA-N 336.411 0.622 10 10 ECCE CCN(CCC(N)=O)C(=O)NCc1ccc(N2CCN(C)CC2)cc1 924007617 OVXWCKCDJIHJBT-UHFFFAOYSA-N 347.463 0.845 10 10 ECCE CC(C)[C@](C)(CO)NC(=O)c1cc(NS(C)(=O)=O)ccc1O 793744023 PIYOIGIEYGVPRU-AWEZNQCLSA-N 330.406 0.901 10 10 ECCE 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NS(=O)(=O)NCCCNCc1cc(Br)ccc1O 2039805909 IIBMOJMADYOUPO-UHFFFAOYSA-N 338.227 0.428 10 10 ECCE NCc1ccc(N2CC3(CNC(=O)CO3)C2)cc1Br 2274018491 QYMHFASKKAPCGD-UHFFFAOYSA-N 326.194 0.613 10 10 ECCE C[C@H]1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)CC(=O)N1C 282318994 JNHGUGJRWSWROL-VIFPVBQESA-N 341.389 0.066 10 10 ECCE O=C(/C=C/c1ccc(O)c(O)c1)O[C@]1(C(=O)O)C[C@@H](O)C[C@@H](O)C1 585669537 IQRPXVABWMLCMZ-NNLHYJRHSA-N 338.312 0.383 10 10 ECCE COc1ccc(N2CC[C@H](NC(=O)C(=O)NC[C@H](C)C(=O)O)C2)cc1 851684075 WGVOJRGCGUVPMW-RYUDHWBXSA-N 349.387 0.227 10 10 ECCE COc1ccc(-n2nnnc2CNCCN(C)C(=O)[C@H](C)OC)cc1 1317570838 SZZCZEOHBUHZFZ-LBPRGKRZSA-N 348.407 0.254 10 10 ECCE COc1ccc(CNC(=O)C2CC3(C2)CS(=O)(=O)C3)c(O)c1 1347018894 SNFGIJGZLHIKDB-UHFFFAOYSA-N 325.386 0.842 10 10 ECCE COc1ccc(CN[C@@H](CNC(=O)c2nnn(C)n2)C2CC2)cc1C 1731401758 GECOEMVHQNSPAI-AWEZNQCLSA-N 344.419 0.825 10 10 ECCE CC(C)(C)OC(=O)N1CC(O)([C@@H](F)C(=O)N2CC(N=[N+]=[N-])C2)C1 1985100098 CYMOPHXGXRAZMJ-VIFPVBQESA-N 329.332 0.827 10 10 ECCE 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CC(C)(C)OC(=O)NCC(CO)(CO)NCc1cccc(O)c1O 2247105362 CYBIXHCVLPCZRD-UHFFFAOYSA-N 342.392 0.436 10 10 ECCE C[C@H](N)c1ccc(N2C[C@H](O)[C@H](O)[C@@H](CO)C2)c(Br)c1 2289397920 HNIKEILZJKLKDY-HHSCNIOUSA-N 345.237 0.619 10 10 ECCE COC(=O)CC[C@@H](N)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 827725420 IDHQWPWTAFNHQS-CZUORRHYSA-N 349.431 0.981 10 10 ECCE CN1C[C@@H](C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)NC1=O 828155996 GDJXPKJVTWOJJN-INIZCTEOSA-N 346.431 0.535 10 10 ECCE C[C@H]1C[C@@H](NC(=O)C(=O)NCc2ccc(N(C)C)cc2)c2ncnn21 826707379 SVNHVZSTPSVERC-SMDDNHRTSA-N 342.403 0.783 10 10 ECCE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc(-n2cnnn2)cn1 1138152959 UKVGRWXYYWQRJV-JTQLQIEISA-N 340.343 0.830 10 10 ECCE O=C(CN1CCN(c2ccccn2)CC1)NCc1cc(O)ccc1O 1153879039 BTDMHZKCVBVGGQ-UHFFFAOYSA-N 342.399 0.931 10 10 ECCE COc1ccc(-n2nnnc2CNCCN(C)C(=O)C(C)C)cc1 1731892254 OMOSVXXGTUCKMG-UHFFFAOYSA-N 332.408 0.875 10 10 ECCE COc1cc(C(=O)N[C@@H](C)CNC(=O)Cc2ccon2)cc(OC)n1 1688130856 YCJHHJQLMMRCPZ-JTQLQIEISA-N 348.359 0.564 10 10 ECCE CC(C)(C)OC(=O)N1CC(O)(CNCc2ccc(O)c(O)c2O)C1 1918707766 YZYHKQXEJXBPPV-UHFFFAOYSA-N 340.376 0.875 10 10 ECCE CC(C)(C)OC(=O)NCC(=O)NCC(=O)N1CCC[C@H]1CN=[N+]=[N-] 2010404508 RWWLSQIBCCMWLC-JTQLQIEISA-N 340.384 0.929 10 10 ECCE CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)N2CC(N=[N+]=[N-])C2)[C@@H](O)C1 2020687882 JLVSKZSNZNKGRU-HZMBPMFUSA-N 341.368 0.240 10 10 ECCE COCCN1CCC(NC(=O)c2cnn3c(O)cc(C)nc23)CC1 2062570472 TXFJCMHCCILGTA-UHFFFAOYSA-N 333.392 0.584 10 10 ECCE N[C@@H]1C(=O)Nc2cc(N3CC[C@H](O)[C@@H](O)C3)c(Br)cc21 2188631096 CSVDBAWFYALENV-SRVKXCTJSA-N 342.193 0.333 10 10 ECCE O=C(O)C[C@H](N/C=C1/C(=O)N(c2ccccc2)C(=O)N=C1O)C(=O)O 102715693 DBESDXWFLZKGOX-PCYYEKQGSA-N 347.283 0.511 10 10 ECCE C[C@@H](CC[S@](C)=O)NS(=O)(=O)CCOc1ccc(N)cc1 127771376 LACCVIHHNONKMC-PRWKNARSSA-N 334.463 0.724 10 10 ECCE Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C(=O)N(C)[C@@H](C)CO 817859449 FBHITJOXMBDORZ-KBPBESRZSA-N 335.448 0.947 10 10 ECCE C[C@@H]1C(=O)N(C)CN1C(=O)C(=O)NCc1ccc2c(c1)CCCN2C 834678046 QBOSXRRFMPFFPR-GFCCVEGCSA-N 344.415 0.332 10 10 ECCE NCC1(CCNC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)CC1 846329338 NICIAECTODXZKG-UHFFFAOYSA-N 342.443 0.924 10 10 ECCE CN(C)c1ccc(CNC(=O)CSc2nnc3nc[nH]n23)cc1 920116245 BKWGVZWNSSTXLM-UHFFFAOYSA-N 331.405 0.927 10 10 ECCE CN(C)c1ccc(CNC(=O)C(=O)NC[C@H]2C[C@@H]3COC[C@@H]3O2)cc1 929236379 IQOPMFWDRAEOJO-BMFZPTHFSA-N 347.415 0.289 10 10 ECCE CO[C@H](CNC(=O)C(=O)NCCc1ccc(N)cc1)[C@H]1CCOC1 851688147 RKQUBJKQMFZBPH-DZGCQCFKSA-N 335.404 0.095 10 10 ECCE CNS(=O)(=O)C[C@H]1CCCN(C(=O)c2ccc(C)c(O)c2O)C1 863824545 GBNHSNWNYXRRIJ-NSHDSACASA-N 342.417 0.808 10 10 ECCE COC[C@@H]1CN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C[C@@H](C)O1 1119015282 WPHMFOGENYLYFZ-YPMHNXCESA-N 334.372 0.497 10 10 ECCE CC(C)[C@@](C)(CO)NC(=O)c1cc(NS(C)(=O)=O)ccc1O 793744024 PIYOIGIEYGVPRU-CQSZACIVSA-N 330.406 0.901 10 10 ECCE CC(C)(CNC(=O)/C=C\c1ccc(O)c(O)c1)CS(N)(=O)=O 1171675500 JNZQMHFYEUZGDV-XQRVVYSFSA-N 328.390 0.542 10 10 ECCE NS(=O)(=O)CCCCNC(=O)NCc1cccc(Cl)c1O 1251480389 MOKFGFRLFNVHHM-UHFFFAOYSA-N 335.813 0.914 10 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341.389 0.162 10 10 ECCE COc1ccc(N2CCCN(C(=O)C3CS(=O)(=O)C3)CC2)cc1 864949111 FMDFUTCKKPJOQY-UHFFFAOYSA-N 338.429 0.779 10 10 ECCE COc1ccc(O)c(CNCCc2nnc3c(=O)n(C)ccn23)c1 895788725 FOWMUPQPJYJKIQ-UHFFFAOYSA-N 329.360 0.475 10 10 ECCE CN1CCN(c2ccc(CN(C)C3CS(=O)(=O)C3)cc2F)CC1 1331549669 VCVJLCCRYAJWEC-UHFFFAOYSA-N 341.452 0.806 10 10 ECCE CC[C@H](CNC(=O)Cn1ncnn1)NCc1ccc(OC)c(C)c1 1481812119 GUJWAGUPWMLFHL-CQSZACIVSA-N 332.408 0.675 10 10 ECCE COCC(=O)N(C)[C@H](C)CNCc1nnnn1-c1ccc(OC)cc1 1714525714 FBWLHHNVUDALOO-GFCCVEGCSA-N 348.407 0.254 10 10 ECCE COC(=O)c1cccn(CC(=O)NCc2cccc(OC)c2O)c1=O 1630366451 QETIMCNODIIMGN-UHFFFAOYSA-N 346.339 0.666 10 10 ECCE CC1=C(C(=O)NCc2cccc(O)c2O)[C@H](C)n2nnnc2N1C 1643812771 PKUJXGUXRJONRN-VIFPVBQESA-N 330.348 0.686 10 10 ECCE COc1ccc(CNC[C@@H](C)NC(=O)[C@@H]2CN(C)CCO2)cc1C 1699356328 KMWKLVFJOJGVPM-PBHICJAKSA-N 335.448 0.929 10 10 ECCE CO[C@@H]1CN(c2cc3c(cc2Br)[C@H](N)C(=O)N3)C[C@H]1O 396109354 OXECOFVRQCZLIN-UTUOFQBUSA-N 342.193 0.597 10 10 ECCE 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Cc1cc(O)n2ncc(C(=O)N3CCN(CC(C)(C)O)[C@H](C)C3)c2n1 2062229676 YBUCCAYWLYYVKV-GFCCVEGCSA-N 347.419 0.661 10 10 ECCE CCOc1ccc(N2C(=O)NC(=O)C(=CNCCCO)C2=O)cc1 2297315542 NXHIZEGIRAQUTP-UHFFFAOYSA-N 333.344 0.524 10 10 ECCE O=S(=O)(CCO)CCNCc1c(O)cccc1Br 2314182887 VOOFBZSTVRMREP-UHFFFAOYSA-N 338.223 0.651 10 10 ECCE C[C@H](N)c1ccc(N2C[C@@H](O)[C@@H](O)[C@@H]2CO)cc1Br 2332921266 ZURHPOWYGSOZOQ-VGYUKGMSSA-N 331.210 0.372 10 10 ECCE C[C@H](Cn1cncn1)NC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 285996364 ILSVFQIQALKQBT-CYBMUJFWSA-N 344.419 0.507 10 10 ECCE COc1ccc(N(C)CCN(C)C(=O)NCCc2nnnn2C)cc1 845086364 ASYNIWVQYLWNEF-UHFFFAOYSA-N 347.423 0.539 10 10 ECCE CN(C)C(=O)[C@H]1CC[C@@H](CNC(=O)NCc2c(O)cccc2F)O1 921795808 BXQUOIGNMHPQSW-IINYFYTJSA-N 339.367 0.966 10 10 ECCE CN1CCCc2cc(CNC(=O)CS(=O)(=O)N(C)C)ccc21 751737706 CMSWIKIDPMGSQR-UHFFFAOYSA-N 325.434 0.577 10 10 ECCE COc1ccc(N2CC[C@H](NC(=O)C(=O)NC[C@H](N)C(C)C)C2)cc1 851688184 SCKANCCMSYSWRV-BBRMVZONSA-N 348.447 0.490 10 10 ECCE NC(=O)C[C@@H]1CN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CCO1 858821788 QAQKEFKMJFIFCA-MRVPVSSYSA-N 336.304 0.006 10 10 ECCE COCCO[C@@H]1CCCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C1 1331950278 KTCXUEYYLXNYJM-CQSZACIVSA-N 348.399 0.888 10 10 ECCE O=C(C(=O)N1C[C@H]2[C@H]3CC[C@@H](NC3)[C@H]2C1)N1Cc2cccc(O)c2C1 1332115627 HEUQYYMJRXUCHW-DLKVLKDVSA-N 341.411 0.691 10 10 ECCE CC[C@H](CNC(=O)[C@H]1CNC(=O)N1)NCc1ccc(OC)c(C)c1 1267817259 KMRHTMUZVMNEKV-ZIAGYGMSSA-N 334.420 0.669 10 10 ECCE COc1ccc(CNCCN(CCO)C(=O)[C@@]23COC[C@@H]2C3)cc1C 1279717616 OAKIJHUQHMFZFH-LPHOPBHVSA-N 348.443 0.951 10 10 ECCE O=C(CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)NCc1ccc(O)cc1O 1299570803 MMZXUIUHOROLAX-VCXDHIOWSA-N 342.351 0.521 10 10 ECCE COc1ccc(N2CC[C@H](NC(=O)[C@@H]3CN4CCN3C[C@H]4C)C2)cc1 1521732276 JLYFMSIZUUZWCZ-VKJFTORMSA-N 344.459 0.778 10 10 ECCE COc1ccc(CNC[C@H](O)CN(C)C(=O)Cc2nc[nH]n2)cc1C 1725713227 LUOTWJONCGWSNH-AWEZNQCLSA-N 347.419 0.273 10 10 ECCE Cc1cc(O)n2ncc(C(=O)N[C@H](C)[C@@H](C)N3CCOCC3)c2n1 2064960612 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10 10 ECCE O=C(C(=O)N1CCO[C@]2(CCSC2)C1)N1Cc2cccc(O)c2C1 1118956299 YYDUDZZFEKWBTR-QGZVFWFLSA-N 348.424 0.969 10 10 ECCE COC(=O)[C@@H]1CN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C[C@@H](C)O1 1329880863 JCXZRTSJLNQWEE-YGRLFVJLSA-N 348.355 0.023 10 10 ECCE CNC(=O)NCC(=O)N1C[C@H](C)[C@H](NCc2ccc(OC)c(C)c2)C1 1327866861 DYGQRIOWEDWAHA-DZGCQCFKSA-N 348.447 0.869 10 10 ECCE Cc1ccc(C(=O)N2CCO[C@H](CS(C)(=O)=O)C2)c(O)c1O 1558605203 KQKYBGOHNIFYLF-JTQLQIEISA-N 329.374 0.292 10 10 ECCE O=C(Cc1ccc(-n2cnnn2)cc1)NCc1ccc(O)cc1O 1638352151 JYMKIFOOWBWTLE-UHFFFAOYSA-N 325.328 0.932 10 10 ECCE CC(C)(C)OC(=O)N1CCOC[C@@]1(C)COc1nnc(=N)[nH]n1 2210647837 URFMWLKMTFWVSB-ZDUSSCGKSA-N 326.357 0.084 10 10 ECCE CNCc1ccc(N2C[C@H](O)[C@@H](O)[C@@H]2COC)c(Br)c1 2234074245 MIBKCQVWDSFJSE-IHRRRGAJSA-N 345.237 0.725 10 10 ECCE NC(=O)C[C@@H]1CNCCN1Cc1c(O)cccc1Br 2343353389 ZXIJGCYAMKKUCM-SECBINFHSA-N 328.210 0.804 10 10 ECCE COc1cccc(CN2C[C@H]3[C@H](OC)CS(=O)(=O)[C@H]3C2)c1O 827389182 LNQQMBKRRFTTFL-YUTCNCBUSA-N 327.402 0.645 10 10 ECCE CCOC(=O)c1cnn2c(O)cc(CNC3(C(=O)N(C)C)CC3)nc12 839632023 DXJLDSZNYCOCFY-UHFFFAOYSA-N 347.375 0.322 10 10 ECCE Nc1ccc(NC(=O)C(=O)N[C@H]2CCCN3CCSC[C@H]23)cc1 927857941 OBEJBMFNBZYPJL-UONOGXRCSA-N 334.445 0.903 10 10 ECCE CN(C)S(=O)(=O)N1CC(NCc2c(O)ccc(Cl)c2F)C1 858313454 FCTANPLJNGPZGK-UHFFFAOYSA-N 337.804 0.765 10 10 ECCE C[C@H]1OCC[C@@]12CN(C(=O)C(=O)N1Cc3cccc(O)c3C1)CCO2 1329858993 JDCWWRQIMYFEEX-KZULUSFZSA-N 346.383 0.641 10 10 ECCE CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)NCc1ccc(O)c(O)c1 1465955491 YKYIDBCCAIXIQG-NSHDSACASA-N 340.376 0.990 10 10 ECCE C[C@@H](NC(=O)CCn1cc(S(N)(=O)=O)cn1)c1ccccc1O 1635793631 ANGMJUIVRJVQPI-SNVBAGLBSA-N 338.389 0.504 10 10 ECCE COc1ccc(N2CCN(C(=O)Cn3cn[nH]c3=O)CC2)cc1F 155861100 BXKFJHMYGWRBCL-UHFFFAOYSA-N 335.339 0.068 10 10 ECCE Cc1cc(O)n2ncc(C(=O)N3C[C@H](C)O[C@]4(CCOC4)C3)c2n1 2065026842 QQFUHPGAYWFWJF-MEDUHNTESA-N 332.360 0.763 10 10 ECCE N[C@@H]1CCCC[C@@H]1NC=C1C(=O)NC(=O)N(Cc2ccco2)C1=O 2296139045 NQMLYQHGLIYKKQ-OLZOCXBDSA-N 332.360 0.601 10 10 ECCE CN(CC(=O)NCCc1ccc(N)cc1)c1ncnc2nc[nH]c12 262589852 ZYRDLAJAQVPPPJ-UHFFFAOYSA-N 325.376 0.730 10 10 ECCE CCOC(=O)c1cnn2c(O)cc(CN3CCCNC(=O)[C@@H]3C)nc12 373754698 RGXKIZFCGNLTIF-JTQLQIEISA-N 347.375 0.322 10 10 ECCE COc1ccc(N2CCN(CCNC(=O)[C@@H]3C[C@H]4C[C@H]4N3)CC2)cc1 844190330 HXIVYZSXSAJHCZ-OLMNPRSZSA-N 344.459 0.684 10 10 ECCE CN1CCN(c2ccc(CNC[C@H](O)c3ccnn3C)cc2)CC1 922973009 DUBMNQGGNGIFJZ-SFHVURJKSA-N 329.448 0.995 10 10 ECCE COC(=O)CCc1nnn(Cc2ccc(N3CCOCC3)cc2)n1 877890465 JJXYJRXTMSDIBJ-UHFFFAOYSA-N 331.376 0.664 10 10 ECCE CC1=NS(=O)(=O)N(C)C=C1C(=O)NCc1cccc(O)c1O 1303194464 CGADWSCPNJXAKO-UHFFFAOYSA-N 325.346 0.249 10 10 ECCE CS(=O)(=O)Nc1ccc(O)c(C(=O)N2[C@H]3CC[C@H]2COC3)c1 1468824406 LZDQUKZHZMYWHE-QWRGUYRKSA-N 326.374 0.767 10 10 ECCE CN(C)c1ccc(CNC(=O)CN2CC[C@H](c3nn[nH]n3)C2)cc1 1648157779 BMCLSFYYIWFGMI-ZDUSSCGKSA-N 329.408 0.371 10 10 ECCE COC(=O)[C@H]1CN(C(=O)c2ccc(C)c(O)c2O)C[C@@H]1C(=O)OC 1640536912 FPZMJBPPUXQMCO-QWRGUYRKSA-N 337.328 0.440 10 10 ECCE Oc1c(F)cc(Br)cc1CN[C@@H]1C[C@H](O)[C@@H](O)[C@@H]1O 2108826083 SBWWYUBVZUMHHB-RBLKWDMZSA-N 336.157 0.238 10 10 ECCE OCc1ccc(N2CC[C@@](O)(CO)[C@H](O)C2)cc1Br 2225720510 AXUQTKMLRHWDNJ-CHWSQXEVSA-N 332.194 0.236 10 10 ECCE CN[C@@H](C)c1ccc(N2C[C@@H](O)[C@@H](O)[C@@H]2CO)cc1Br 2357915694 FMNWNFZDOPDGHM-IOEYQFCTSA-N 345.237 0.632 10 10 ECCE COC[C@](C)(CCO)NC(=O)c1cc(NS(C)(=O)=O)ccc1O 272396800 BNMPVMYJBDNKFQ-AWEZNQCLSA-N 346.405 0.281 10 10 ECCE CC(=O)C(=O)COC(=O)CCNS(=O)(=O)/C=C\c1ccccc1 808494628 BPXKPXHUPOAFJK-NTMALXAHSA-N 339.369 0.668 10 10 ECCE CCN(C(=O)C(=O)NCc1ccc(N(C)C)cc1)[C@@H]1CCN(C)C1 826706076 FTGZPAFWIHZAGZ-MRXNPFEDSA-N 332.448 0.921 10 10 ECCE CCN(CC)c1ccc(CNS(=O)(=O)[C@@H]2COC[C@H]2O)cc1F 823091658 DFGOZKNSBFYLRP-HUUCEWRRSA-N 346.424 0.851 10 10 ECCE CC(=O)C(=O)COC(=O)[C@@H]1CC(=O)N(CCc2ccc(F)cc2)C1 840597939 CRTHPFCMUGYUHB-CYBMUJFWSA-N 335.331 0.918 10 10 ECCE NC[C@@]1(CO)COCCN1Cc1cc(Br)ccc1O 693945758 KEHSTOIEPRYBBW-CYBMUJFWSA-N 331.210 0.677 10 10 ECCE O=C1C[C@H]2CC[C@@H](CN1)N2C(=O)C(=O)N1Cc2cccc(O)c2C1 1330455117 XTPMLLKBQWVPGZ-NEPJUHHUSA-N 329.356 0.114 10 10 ECCE COC(=O)CCN(CC(OC)OC)C(=O)c1cccc(O)c1O 1611427413 QJMWCKMPOJURCC-UHFFFAOYSA-N 327.333 0.722 10 10 ECCE Cc1nnc(N(C)Cc2ccccc2O)n1C[C@@]1(O)CCN(C)C1 1543149188 YYBJPGHMYIYBJU-QGZVFWFLSA-N 331.420 0.995 10 10 ECCE COc1ccc(CN[C@@H](CO)CNC(=O)c2cnnc(C)c2)cc1C 1676524632 MIBMSIPMDGDNBT-MRXNPFEDSA-N 344.415 0.983 10 10 ECCE N[C@H](CS(=O)(=O)Nc1cc(Cl)c(O)c(Cl)c1)C(=O)O 2270501199 UQLCDEOASCEPGB-SSDOTTSWSA-N 329.161 0.853 10 10 ECCE Cc1ccc(CN[C@@H]2C[C@H](O)[C@@H](O)[C@H]2O)c(O)c1Br 2352676104 MLAZNUZMJOTDSA-FIDNZITISA-N 332.194 0.408 10 10 ECCE Nc1ccc(C[C@H]2Oc3ccccc3N(C[C@H](O)CO)C2=O)cc1 62497417 MQFDBIOHYSIJIT-WMLDXEAASA-N 328.368 0.959 10 10 ECCE COc1cc(N2CCN(c3c(N)c(=O)c3=O)CC2)cc(OC)c1OC 100329054 BXBDZUUDLLDYLQ-UHFFFAOYSA-N 347.371 0.217 10 10 ECCE CC(=O)C(=O)COC(=O)c1cc(S(=O)(=O)NC(C)C)ccc1F 808501233 GLCRRKLBLLYDOV-UHFFFAOYSA-N 345.348 0.827 10 10 ECCE 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O=C(c1cn(CCN2CCOCC2)nn1)N1Cc2cccc(O)c2C1 2064477107 PJMQXPAPSRONDS-UHFFFAOYSA-N 343.387 0.472 10 10 ECCE CCOC(=O)c1cnn2c(O)cc(COC(=O)[C@@H](O)C3CCC3)nc12 838310584 SHGPHRMYLPPLLB-ZDUSSCGKSA-N 349.343 0.816 10 10 ECCE C[C@H]1CNCC[C@@H]1NC(=O)C(=O)NCc1ccc(N(C)C)c(F)c1 842149376 XOTZLGNKRTUQLZ-FZMZJTMJSA-N 336.411 0.622 10 10 ECCE C[C@H]1CCNC[C@H]1NC(=O)C(=O)NCCCSc1nccs1 842091449 CUNAWDYEENNJBR-WDEREUQCSA-N 342.490 0.856 10 10 ECCE COc1ccc(N2CC[C@@H](NC(=O)NC3COCCOC3)C2)cc1 852448141 GRCOMGDQVPKLLY-CYBMUJFWSA-N 335.404 0.989 10 10 ECCE COc1ccc(N2CCN(C(=O)CN3CC(=O)N(C)C3)CC2)cc1 779204011 BANMSQPRUVHFJY-UHFFFAOYSA-N 332.404 0.075 10 10 ECCE Cn1cc(C(=O)NCc2c(O)ccc3ccccc23)c(=O)n(C)c1=O 1157042071 VWIMUJLBCPQYCT-UHFFFAOYSA-N 339.351 0.873 10 10 ECCE Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NC[C@@H](O)C(N)=O)c1 1556459774 CHCDNPLKPLCTEF-OAHLLOKOSA-N 329.356 0.483 10 10 ECCE O=C(Cc1ccc(O)c(O)c1)Nc1ccc(-n2nnnc2O)cc1 1634121238 XNUIBGNAUSHKDQ-UHFFFAOYSA-N 327.300 0.960 10 10 ECCE 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COc1ccc(N2CC[C@H](NC(=O)C(=O)NC[C@@H](C)CN)C2)cc1 851688429 ZZABUBFYHJHMQW-STQMWFEESA-N 334.420 0.101 10 10 ECCE CN(C)c1cc(F)c(CN2CCN(CC(N)=O)C(=O)C2)cc1F 862392364 KZUBEFZISMMHAY-UHFFFAOYSA-N 326.347 0.160 10 10 ECCE CCN(CC)c1ccc(CNS(=O)(=O)C[C@@H]2CNCCO2)cc1 866745329 DVGMDUZRFMMARB-INIZCTEOSA-N 341.477 0.941 10 10 ECCE Nc1ncn(CC(=O)NCc2ccc(N3CCC(O)CC3)cc2)n1 1301350569 PIUFEKIFYUHTMU-UHFFFAOYSA-N 330.392 0.138 10 10 ECCE CCN(CCNCc1ccc(OC)c(C)c1)C(=O)CS(C)(=O)=O 1699170320 KRFALZFCETVXOJ-UHFFFAOYSA-N 342.461 0.986 10 10 ECCE CNC(=O)CN1CCN(c2ccc(CN)cc2Br)CC1 700785035 YISJWCRGXQHANL-UHFFFAOYSA-N 341.253 0.776 10 10 ECCE CN(C(=O)C1=C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C1)c1ccnn1C 1910967858 QCTWYOOFOWZWHT-NWDGAFQWSA-N 336.392 0.967 10 10 ECCE Cn1cc(/C=C\C(=O)N2C[C@H](O)Cc3ccccc32)c(=O)n(C)c1=O 493748119 CWJDWZSZOAOIGQ-WBTMPAOCSA-N 341.367 0.047 10 10 ECCE CCNCc1ccc(N2C[C@@H](O)[C@@H](O)[C@H]2CO)c(Br)c1 2357915482 AMYYHSQGPUNOSP-MCIONIFRSA-N 345.237 0.461 10 10 ECCE COc1ccc(CNC(=O)c2cn([C@H]3CCCNC3)nn2)c(O)c1 818228940 IVFQZKYAWUJFRL-LBPRGKRZSA-N 331.376 0.847 10 10 ECCE COc1ccc(N2CC[C@@H](NC(=O)[C@H](O)Cc3cnn(C)c3)C2)cc1 855226473 QCMMCBNMFBBZMZ-RHSMWYFYSA-N 344.415 0.727 10 10 ECCE CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)c1ccc(C)c(O)c1O 787660036 CMAXLTHFUAPDLM-ZJUUUORDSA-N 338.360 0.592 10 10 ECCE O=C(CN1CCS(=O)(=O)CC1)NCc1c(O)ccc2ccccc12 1304089707 HRGVKTMKWTVKMO-UHFFFAOYSA-N 348.424 0.892 10 10 ECCE C[C@H](NC(=O)C(=O)N1C[C@@H]2C[C@H]1C[S@]2=O)c1ccc(N(C)C)cc1 1349717216 JXOWFTKWQSNRJF-KYZAVCKISA-N 349.456 0.662 10 10 ECCE COc1ccc(N2CC[C@@H](CNC(=O)Cn3c(O)nnc3O)C2)cc1 1452027033 KNJBRFMLXRFLPT-NSHDSACASA-N 347.375 0.341 10 10 ECCE C#CCO[C@H](C)C(=O)NCCNC(=O)c1ccc(N=NC(N)=O)cc1 1703184481 IIQMVZFKFKERLW-LLVKDONJSA-N 345.359 0.733 10 10 ECCE CS(=O)(=O)NC[C@@H]1CCCN(C(=O)Cc2ccc(O)c(O)c2)C1 1625534759 ZAOANJOJAZYYNX-LBPRGKRZSA-N 342.417 0.428 10 10 ECCE COc1ccc(CNC2(CNC(=O)[C@@H]3CN(C)C(=O)N3)CC2)cc1C 1723545193 RPLJYFIVTZEJOF-AWEZNQCLSA-N 346.431 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ECCE CCN1CC[C@H]1CNC(=O)C(=O)NCc1ccc2c(c1)CCCN2C 897582992 GHFKGJZQNQCIOY-INIZCTEOSA-N 344.459 0.896 10 10 ECCE COc1cc(C(=O)N[C@H](C)CNC(=O)[C@@H]2CCCO2)cc(OC)n1 1284195635 XMZPQNVIRIUOPJ-PWSUYJOCSA-N 337.376 0.512 10 10 ECCE COc1cc(C(=O)N[C@H](C)CNC(=O)c2[nH]cnc2C)cc(OC)n1 1284282434 JAZMPTGJYYJYRD-SECBINFHSA-N 347.375 0.679 10 10 ECCE COc1cc(C(=O)N[C@H](C)CNC(=O)Cc2ncc[nH]2)cc(OC)n1 1704051466 FDFUOJPOEHADRX-SNVBAGLBSA-N 347.375 0.299 10 10 ECCE COc1ccc(CN[C@@H](CO)CNC(=O)[C@@]23COC[C@@H]2C3)cc1C 1485994542 BCOJZDVWUVNLPH-DAYGRLMNSA-N 334.416 0.607 10 10 ECCE C[C@@H](N)c1ccc(N2CC3(C2)OC[C@@H](O)[C@@H]3O)c(Br)c1 2183626529 IZZJLZRNZRVZMN-WQHBLYJGSA-N 343.221 0.780 10 10 ECCE CNCc1ccc(N2C[C@H](O)[C@@H](O)[C@H]2COC)cc1Br 2234076977 XZZVSBOVCUGVAY-RDBSUJKOSA-N 345.237 0.725 10 10 ECCE CN(C)CCN(C(=O)Nc1ccc(N)cc1)[C@H]1CCS(=O)(=O)C1 217313626 HCDIXABZQCJULQ-AWEZNQCLSA-N 340.449 0.851 10 10 ECCE CCOC(=O)[C@H]1NC(=O)N([C@@H]2CCN(c3ccc(OC)cc3)C2)C1=O 849357531 NAZCVSOGUQMHGQ-OCCSQVGLSA-N 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10 10 ECCE CN(CCCn1cnc2c(N)ncnc21)C(=O)c1cccc(O)c1O 1630276633 NEAQQSNVVHBICM-UHFFFAOYSA-N 342.359 0.982 10 10 ECCE CS(=O)(=O)Nc1ccc(O)c(C(=O)N2C3CCC2(CO)CC3)c1 1597057455 PNWJQXMJJKRNBS-UHFFFAOYSA-N 340.401 0.893 10 10 ECCE NCc1ccc(N2C[C@H]3C(=O)NC(=O)[C@@H]3C2)c(F)c1Br 386946752 IDCVRPZZDDFPPX-HTQZYQBOSA-N 342.168 0.756 10 10 ECCE Cn1nc(Br)c(CNC(=O)c2cccc(O)c2O)n1 2226972527 OYVPUNDZGSGRFC-UHFFFAOYSA-N 327.138 0.919 10 10 ECCE COc1ccc(N2C(=O)NC(=O)C(=CNCCCN(C)C)C2=O)cc1 2296285293 GFOSHDKLOAXJPF-UHFFFAOYSA-N 346.387 0.703 10 10 ECCE NCc1cc(F)c(N2C[C@@H]3C[C@H]2[C@@H](O)[C@H]3O)cc1Br 2329331699 DNOOIUSPMRVPCQ-GIMBAOAISA-N 331.185 0.977 10 10 ECCE COc1cc(I)cc([C@H](N)CC(N)=O)c1O 44253406 HKHXMKFHVVVSNL-SSDOTTSWSA-N 336.129 0.881 10 10 ECCE CNS(=O)(=O)c1ccc(CCC(=O)OCC(=O)C(C)=O)cc1 808496848 JXAVMMPMIJYEBQ-UHFFFAOYSA-N 327.358 0.229 10 10 ECCE CON(C)C(=O)CNC(=O)NCc1cc(Br)ccc1O 817799080 APVVDEPGCDUKGV-UHFFFAOYSA-N 346.181 0.974 10 10 ECCE COc1ccc(N2CC[C@H](NS(=O)(=O)c3ccnn3C)C2)cc1 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339.461 0.488 10 10 ECCE CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NCc1cc2c(cc1O)OCO2 800308920 DYJHFEZCOGAKAR-JQWIXIFHSA-N 342.417 0.928 10 10 ECCE COCCN1C(=O)/C(=C\NCC2CCCCC2)C(=O)NC1=S 299252286 DBRMYOSSZSEKOB-BENRWUELSA-N 325.434 0.930 10 10 ECCE CNC(=O)C1CN(c2cc3c(cc2Br)[C@@H](N)C(=O)N3)C1 723161360 PMVZUKXPVDINTG-LLVKDONJSA-N 339.193 0.583 10 10 ECCE COC(=O)c1ccc(O)c([C@H](C)NC[C@@]2(CO)COCCN2C)c1 903277529 BCQIHZUMTHONKM-YVEFUNNKSA-N 338.404 0.523 10 10 ECCE COc1ccc(N2CC[C@H](NC(=S)NCC(=O)N(C)C)C2)cc1 849270925 UMDWTQDDUZHNAO-LBPRGKRZSA-N 336.461 0.826 10 10 ECCE COc1ccc(N2CC[C@@H](NC(=O)NC[C@@H]3COCCN3C)C2)cc1 858600145 TVONEFPCVLEPMF-GDBMZVCRSA-N 348.447 0.904 10 10 ECCE Cn1nnc(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)n1 878300513 JUPWZBRFJGUZFI-UHFFFAOYSA-N 330.392 0.349 10 10 ECCE COC(=O)[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1)c1ccn(C)n1 787806203 BORLHBZNDRDRIT-DRDHIDPGSA-N 331.328 0.875 10 10 ECCE NC(=O)[C@H]1C[C@H](NC(=O)NCc2ccc(N3CCOCC3)cc2)C1 1348098999 BPEQEABKJRQXJI-HDJSIYSDSA-N 332.404 0.586 10 10 ECCE NC(=O)CN1CCC[C@H](NC(=O)c2cc3cc(O)c(O)cc3s2)C1 1443536222 KMNXZEFHQMVLKX-JTQLQIEISA-N 349.412 0.992 10 10 ECCE COc1cc(C(=O)N[C@H](C)CNC(=O)c2cc[nH]n2)cc(OC)n1 1737550688 OXRPUSVIZUUART-SECBINFHSA-N 333.348 0.370 10 10 ECCE O=S1(=O)C[C@@H](c2cc(Br)cc(F)c2O)NCCN1 1952534737 KGMAHTGEUBPYMH-VIFPVBQESA-N 339.186 0.858 10 10 ECCE Nc1ccc(NC(=O)CCN2CC(NC(=O)C(F)(F)F)C2)cc1 1999475111 MWTSYNOWJFWQKA-UHFFFAOYSA-N 330.310 0.960 10 10 ECCE COCc1cc(NC(=O)C(=O)NCc2cc(C)ccc2O)ncn1 1335295121 DPCAFOAFOCWIPU-UHFFFAOYSA-N 330.344 0.892 10 10 ECCE CN(C[C@H](O)CNCCF)C(=O)c1ccc(N=NC(N)=O)cc1 1284479359 YGXUNFMTINVWRA-GFCCVEGCSA-N 325.344 0.841 10 10 ECCE CCOC(=O)c1cnn2c(O)cc(CN3CC[C@H](C)[C@@H](O)C3)nc12 1616822838 BKRPSCJTIFHOQQ-GWCFXTLKSA-N 334.376 0.814 10 10 ECCE COc1ccc(CNC[C@@H](O)CNC(=O)Cc2ccn(C)n2)cc1C 1482728152 FJJQUGFUKBQBAW-MRXNPFEDSA-N 346.431 0.547 10 10 ECCE COC(=O)c1cn(C2CN(C(=O)Cc3ccc(O)c(O)c3)C2)nn1 1633710035 HCRFHCOYOYHUOP-UHFFFAOYSA-N 332.316 0.102 10 10 ECCE COc1ccc(CNC(=O)C2(CS(C)(=O)=O)COC2)c(O)c1 1635042722 QVUYQEWCHPCJGG-UHFFFAOYSA-N 329.374 0.078 10 10 ECCE COc1ccc(CNC/C=C/CNC(=O)[C@@H]2CCNC2=O)cc1C 1568899419 YXTALKSXFNQMKB-BWPKMQGJSA-N 331.416 0.902 10 10 ECCE NC(=O)N=Nc1ccc(C(=O)NC[C@@H](O)CNCCCF)cc1 1732667461 SQJGDFVANWTZJL-LBPRGKRZSA-N 325.344 0.889 10 10 ECCE COc1ccc(CNC[C@H](NC(=O)Cn2ncnn2)C2CC2)cc1C 1670469399 ISFFPZZGUPJJEL-HNNXBMFYSA-N 344.419 0.675 10 10 ECCE NCc1ccc(N2CCN(C[C@@H](O)CO)CC2)c(Br)c1 2178029018 BBCGXQBRWCXPOY-GFCCVEGCSA-N 344.253 0.383 10 10 ECCE CNCc1ccc(N2CC(O)(C(=O)OC)C2)cc1Br 714461698 HTZAKXSIPNTLFK-UHFFFAOYSA-N 329.194 0.893 10 10 ECCE O=C1Nc2cc(N3C[C@H](O)C[C@@H]3CO)c(Br)cc2[C@@H]1O 698140008 ZAULUXZEMDBWHK-QHMRUWFYSA-N 343.177 0.367 10 10 ECCE CC(C)(C)OC(=O)N1CC(NC(=O)Cc2ccc(N)cc2)(C(N)=O)C1 2044205238 XSCYZJZSUDBRGL-UHFFFAOYSA-N 348.403 0.402 10 10 ECCE COc1ccc(-c2nnc(SCC(=O)C(C)=O)n2N)cc1OC 289810430 ZEFCUJWKKOWVHI-UHFFFAOYSA-N 336.373 0.926 10 10 ECCE COC(=O)[C@@H](CF)NC(=O)c1cc(NS(C)(=O)=O)ccc1O 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349.431 0.097 10 10 ECCE NC(=O)C1(O)CN(c2ccc(CNC3CC3)c(Br)c2)C1 1915250952 XQVWRDTVBMGASW-UHFFFAOYSA-N 340.221 0.738 10 10 ECCE CC(C)(C)OC(=O)N1CC(CO)(NCc2ccc(O)c(O)c2O)C1 1918514669 FMKDEQSSBBYBRS-UHFFFAOYSA-N 340.376 0.875 10 10 ECCE C[C@H](O)c1ccc(N2CC[C@](O)(CO)[C@@H](O)C2)c(Br)c1 2234093777 XKBZMTJWQQTDRJ-HERUPUMHSA-N 346.221 0.797 10 10 ECCE COc1ccc(N2CCN(C(=O)NCc3ncnn3C)CC2)cc1 76792478 VXGWEKAGOGGDCW-UHFFFAOYSA-N 330.392 0.856 10 10 ECCE COc1ccc(N2CCN(CCNC(=O)c3ncn(C)n3)CC2)cc1 291202350 GXRKVBUMSAWMJA-UHFFFAOYSA-N 344.419 0.376 10 10 ECCE CN1CCCc2cc(CNS(=O)(=O)[C@@H]3COC[C@H]3O)ccc21 828868343 PDHHZIMXVSDPQF-HUUCEWRRSA-N 326.418 0.248 10 10 ECCE C[C@@H](OC(=O)c1cc(O)cs1)C(=O)N(C)CC(=O)NC1CC1 732354562 VUVBSYHCXHHOPC-MRVPVSSYSA-N 326.374 0.736 10 10 ECCE C[C@H]1CCNC[C@H]1NC(=O)C(=O)NCc1ccc(N(C)C)c(F)c1 842149051 UNMOXAKKYBMNHR-SMDDNHRTSA-N 336.411 0.622 10 10 ECCE COc1ccc(N2CCN(CCCNC(=O)[C@@H]3C[C@@H]3N)CC2)cc1 844190640 DVHPNZSIXLSGGQ-SJORKVTESA-N 332.448 0.671 10 10 ECCE 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332.448 0.918 10 10 ECCE COC(=O)[C@H]1CCN(C(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)C1 1325072383 RSPJSKGBQZDBOY-AWEZNQCLSA-N 347.415 0.733 10 10 ECCE CCCC(=O)N[C@@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@@H]1O 1513447348 GRSLBLDKGGIXJN-OLZOCXBDSA-N 347.375 0.951 10 10 ECCE O=C(N[C@@H](CO)C(=O)OCc1ccccc1)c1cccc(O)c1O 1632169511 XJNWMOXZVAGARZ-ZDUSSCGKSA-N 331.324 0.932 10 10 ECCE N[C@H]1C(=O)Nc2cc(N3CCNC(=O)C3)c(Br)cc21 118589802 GGHWMFPCGFYARA-LLVKDONJSA-N 325.166 0.337 10 10 ECCE CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N1CC[C@@H](N=[N+]=[N-])C1 1985099609 QHFROAYANXPSIT-BDAKNGLRSA-N 326.357 0.666 10 10 ECCE CC(C)(C)OC(=O)N[C@H](CC(N)=O)C(=O)N1CC[C@H](N=[N+]=[N-])C1 1985105350 QHFROAYANXPSIT-DTWKUNHWSA-N 326.357 0.666 10 10 ECCE CN(C)C=C1SC(=S)N(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)C1=O 2040736882 NNSTYYQFKPMQNE-UUTMEEIUSA-N 349.437 0.972 10 10 ECCE O=C1NC(=O)N2CCN(c3ccc(CO)cc3Br)C[C@H]12 2171305712 VCMFOZKDEHJAGG-LLVKDONJSA-N 340.177 0.682 10 10 ECCE Cc1cc(O)n2ncc(C(=O)NCCN3CCOCC3(C)C)c2n1 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345.308 0.463 10 10 ECCE CS(=O)(=O)N1CCCC[C@H]1CNC(=O)c1c(F)ccc(O)c1O 831915728 RPHWIAPFDWHIIY-VIFPVBQESA-N 346.380 0.781 10 10 ECCE CN(C)CCN1CCN(C(=O)/C=C\c2ccc(O)c(O)c2)CC1=O 846358493 XCBDFEPUDXCLNQ-XQRVVYSFSA-N 333.388 0.343 10 10 ECCE CS(=O)(=O)C[C@@H](O)CNCc1ccc(N2CCOCC2)c(F)c1 922824692 ZRLDJUKGXCMUMY-ZDUSSCGKSA-N 346.424 0.157 10 10 ECCE COc1ccc(N2CC[C@H](NC(=O)NC[C@@](C)(CO)OC)C2)cc1 854297731 VRZKENUJEUIOES-GUYCJALGSA-N 337.420 0.971 10 10 ECCE COc1ccc(CN[C@H](CO)CNC(=O)[C@@H]2CCCN2C)cc1C 1278053508 HIEBHMFXJFEZFS-HOTGVXAUSA-N 335.448 0.665 10 10 ECCE Cc1ccc(C(=O)NCC(=O)NCCN2CCCCC2)c(O)c1O 1635484783 GWCWGEPJAKEPQO-UHFFFAOYSA-N 335.404 0.738 10 10 ECCE CCC(=O)NC/C=C/CNCc1nnnn1-c1ccc(OC)cc1 1568803531 ATKFUDFDTMUMBL-SNAWJCMRSA-N 330.392 0.843 10 10 ECCE Cc1nc(N2CCN(C(=O)/C=C\c3ccc(O)c(O)c3)CC2)n[nH]1 1631806400 IIZRQIMGSJNAHZ-HYXAFXHYSA-N 329.360 0.886 10 10 ECCE CN(c1cc2c(cc1Br)[C@H](O)C(=O)N2)[C@@H]1COC[C@H]1O 708631219 HWFADYLOGITFNO-UTUOFQBUSA-N 343.177 0.631 10 10 ECCE 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COc1ccc(N2CCN(C(=O)C(=O)N3CCOCC3)CC2)cc1 38724938 GMFOBKZOCPTTDD-UHFFFAOYSA-N 333.388 0.203 10 10 ECCE COc1ccc(N2CCC(NS(=O)(=O)C3CNC3)CC2)cc1 923604518 WZPJXYYEAUQRCP-UHFFFAOYSA-N 325.434 0.555 10 10 ECCE COc1ccc(N2CC[C@@H](NC(=O)NCc3cnnn3C)C2)cc1 852340158 APOHJCCHOHGMMQ-GFCCVEGCSA-N 330.392 0.902 10 10 ECCE CC(=O)c1cc(F)cc(CN2CCS(=O)(=O)C[C@H]2CCO)c1O 932314807 NKOHDWLXGWRKAA-CYBMUJFWSA-N 345.392 0.715 10 10 ECCE C[C@H](NC(=O)CN1CCOCC1=O)c1ccc(N2CCOCC2)cc1 790572822 UVQDUWVXZRIJPC-AWEZNQCLSA-N 347.415 0.559 10 10 ECCE COc1ccc(-n2nnnc2CNCCN(C)C(=O)C(F)F)cc1 1266624141 RTBGQNJIYSCHNK-UHFFFAOYSA-N 340.334 0.484 10 10 ECCE CNC(=O)[C@H]1CN(c2ccc(/C=C\C(=O)OC)cc2[N+](=O)[O-])CCO1 1772912260 CRSQFFPYPSARRU-KXQLTZBTSA-N 349.343 0.732 10 10 ECCE Cn1cc(C=CC(=O)N2CCc3c(F)cc(F)cc32)c(=O)n(C)c1=O 2297525277 LATFCHMYPJOPBD-UHFFFAOYSA-N 347.321 0.965 10 10 ECCE CN1C2(CCC2)COC[C@@]1(CO)CNC(=O)c1cccc(O)c1O 529749757 CCLLAFAALBBSEY-KRWDZBQOSA-N 336.388 0.443 10 10 ECCE COc1ccc(N2CCCN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)CC2)cc1 366347647 ULCBULLFWFXGAX-JKSUJKDBSA-N 347.415 0.767 10 10 ECCE CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H](C)Cn1cncn1 286206117 SJHBMFWKDMFUDY-ZDUSSCGKSA-N 345.403 0.927 10 10 ECCE CS(=O)(=O)Nc1ccc(NS(=O)(=O)CCON)cc1Cl 722233697 UCLKBSCFOARNNQ-UHFFFAOYSA-N 343.814 0.344 10 10 ECCE COc1ccc(N2CC[C@H](N3C(=O)[C@@H]4COCCN4C3=O)C2)cc1 849357150 KGZFDLRFRGHYKR-ZFWWWQNUSA-N 331.372 0.937 10 10 ECCE NC(=O)N=Nc1ccc(C(=O)N2CCS(=O)(=O)CCO2)cc1 1159741597 SDWQVJKOHFICBS-UHFFFAOYSA-N 326.334 0.651 10 10 ECCE COc1cccc(CNC(=O)NCc2cn(C)c(=O)nc2O)c1O 1251696086 MQHJKJFKCYTBOH-UHFFFAOYSA-N 334.332 0.200 10 10 ECCE COc1ccc(CNC[C@H](O)CN(C)C(=O)c2cnn[nH]2)cc1C 1486287827 FTMQXFUQKBHVFH-ZDUSSCGKSA-N 333.392 0.344 10 10 ECCE COc1ccc(CNC/C=C\CNC(=O)[C@H]2CN(C)C(=O)N2)cc1C 1497649105 GKGFDTJMURRYBN-FOSCPCJNSA-N 346.431 0.789 10 10 ECCE C[C@H](CCNC(=O)c1ccc(N=NC(N)=O)cc1)N[C@@H]1CCNC1=O 1663019983 LSBNJSIKNBCEHI-ZWNOBZJWSA-N 346.391 0.836 10 10 ECCE NCc1ccc(N2C[C@H]3C[C@H]2[C@@H](O)[C@H]3O)c(F)c1Br 2104415237 PBCMRYHYWNZFEZ-SKELABPMSA-N 331.185 0.977 10 10 ECCE O=C(O)CNC=C1C(=O)NC(=O)N(c2cccc3ccccc23)C1=O 2297534401 VPIRNMIKKPQBNH-UHFFFAOYSA-N 339.307 0.981 10 10 ECCE O=C(O)CNC(=O)CN1C(=O)C(=Cc2ccc[nH]2)SC1=S 2323831349 ZKTSGEAYHICZJX-UHFFFAOYSA-N 325.371 0.417 10 10 ECCE CCS(=O)(=O)NCCN1CCN(c2ccc(OC)cc2)CC1 38588635 BGMUVNHUDDTLLI-UHFFFAOYSA-N 327.450 0.757 10 10 ECCE CN1CCCc2cc(CNC(=O)C(=O)NCc3ccnn3C)ccc21 284000954 HTFCOBBGDHFEGQ-UHFFFAOYSA-N 341.415 0.735 10 10 ECCE O=S1(=O)CCN(S(=O)(=O)Nc2ccc(O)c(Cl)c2)CC1 2163659868 NNDXDMNSWMBOML-UHFFFAOYSA-N 340.810 0.433 10 10 ECCE NC(=O)CN1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2O)CC1=O 839168998 DPEGIPATHQWGSF-UHFFFAOYSA-N 342.739 0.083 10 10 ECCE COc1ccc(N2CC[C@H](NC(=O)[C@@]3(C)C[C@H](O)CN3C)C2)cc1 912291709 BJHBNHFYAOJOQG-DHSIGJKJSA-N 333.432 0.845 10 10 ECCE C[C@@H]1OCC[C@@H]1S(=O)(=O)NC[C@@H](N)c1ccc(N(C)C)cc1 842786156 UMHHJRWLZOEWFJ-GLQYFDAESA-N 327.450 0.849 10 10 ECCE 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C[C@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)NCc1cnn(C)n1 1690653006 ZGWSODPFEFFRKN-SNVBAGLBSA-N 344.379 0.886 10 10 ECCE COC(=O)COc1ccc(N(C)Cc2nnc3n2CCOC3)cc1 370467731 HYORKPUXXWXNLY-UHFFFAOYSA-N 332.360 0.997 10 10 ECCE CNS(=O)(=O)NCC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C 822652313 JUMJYGPDCNXDDH-UHFFFAOYSA-N 342.465 0.543 10 10 ECCE CCN(CC(N)=O)c1cc2c(cc1Br)[C@H](NC)C(=O)N2 723181845 RBJAHHGFIGFVHK-LBPRGKRZSA-N 341.209 0.973 10 10 ECCE C[C@H]1CCN(C(=O)C(=O)NCc2ccc(N(C)C)cc2)C[C@@H]1C(=O)O 843257334 OSPIEPFSNXHGEF-WFASDCNBSA-N 347.415 0.938 10 10 ECCE COCc1nc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)n(C)n1 853798075 BZMVWPNZDARIDI-UHFFFAOYSA-N 345.403 0.933 10 10 ECCE COc1cc(C(=O)N[C@@H](C)CNC(=O)c2[nH]cnc2C)cc(OC)n1 1284282435 JAZMPTGJYYJYRD-VIFPVBQESA-N 347.375 0.679 10 10 ECCE COc1cc(C(=O)N[C@H](C)CCNC(=O)c2cnon2)cc(OC)n1 1527730111 BLGZBNRNFJUJER-SECBINFHSA-N 349.347 0.420 10 10 ECCE COc1ccc(CNC(=O)C[C@]2(C)CCS(=O)(=O)N2)c(O)c1 1626079353 AZEUFJOCZCGLNG-AWEZNQCLSA-N 328.390 0.489 10 10 ECCE 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CCN(C)c1ccc(Cn2cc(CN(CCO)CCO)nn2)cc1 883999915 BSVJIYHTGXOVTM-UHFFFAOYSA-N 333.436 0.569 10 10 ECCE Cc1nc2c(n1CCO)CC[C@@H](NC(=O)Cc1ccc(O)c(O)c1)C2 1636197659 YDEHTTHCRHKDCN-CYBMUJFWSA-N 345.399 0.811 10 10 ECCE COc1ccc(N2CCN(C(=O)[C@H](O)c3cnn(C)c3)CC2)cc1 1635783629 DSDLODLUGMCDLD-MRXNPFEDSA-N 330.388 0.811 10 10 ECCE CC(C)(C)OC(=O)N[C@H](CCC(N)=O)C(=O)NCCCN=[N+]=[N-] 1994926252 AEDYLZHMJYINPO-SECBINFHSA-N 328.373 0.962 10 10 ECCE CN(Cc1ccccc1)C[C@H](NC(=O)c1cc(O)nc(O)c1)C(=O)O 702133669 GQSVRSZNJWYILL-ZDUSSCGKSA-N 345.355 0.808 10 10 ECCE CC(C)(/N=N/C(C)(C)C1=NCCN1CCO)C1=NCCN1CCO 34263352 AEZBIUBWOJAYOA-FMQUCBEESA-N 338.456 0.409 10 10 ECCE COC(=O)/C=C\c1ccc(N2C[C@@H](CO)[C@H](CO)C2)c([N+](=O)[O-])c1 858673803 NIMLZQVVPSJWBY-UARNIUSMSA-N 336.344 0.818 10 10 ECCE C[C@@H]1CC[C@H](NC(=O)C(=O)NCCCSc2nccs2)CN1 861741839 AIKFBMMYOHUFRD-MNOVXSKESA-N 342.490 0.998 10 10 ECCE CN(CCN1CCCS1(=O)=O)C(=O)/C=C\c1ccc(O)c(O)c1 779532427 SYZIYGGUJBMATA-XQRVVYSFSA-N 340.401 0.605 10 10 ECCE 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C[C@H](CN(C)CC(=O)N(C)C)NC(=O)c1ccc(N=NC(N)=O)cc1 1483424514 SPGYCXFHTYFNSQ-LLVKDONJSA-N 348.407 0.987 10 10 ECCE CN(CC(C)(CO)CO)C(=O)C=Cc1ccc(N2CCOCC2)cc1 2304591068 PYULVFHZFQJVBG-UHFFFAOYSA-N 348.443 0.986 10 10 ECCE CN(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)C(=O)C[C@H]1C[C@H](N)C1 1895032141 VMDWAZBXYBZVGZ-SRVKXCTJSA-N 327.425 0.707 10 10 ECCE C[C@@H](NC(=O)N1CCN(CC(N)=O)C(=O)C1)c1ccc(N(C)C)cc1 838560575 XTYLWJPZPHPROP-GFCCVEGCSA-N 347.419 0.153 10 10 ECCE COC(=O)[C@@H](CCC1OCCO1)NC(=O)c1ccc(C)c(O)c1O 1302819224 RSCQSFOGNBEYAT-LLVKDONJSA-N 339.344 0.831 10 10 ECCE C[C@@H]1C[C@H]1NC(=O)C(=O)NCc1ccc(N2CCN(C)CC2)cc1 1338796198 LJSFEDBWXXIVBI-CZUORRHYSA-N 330.432 0.579 10 10 ECCE C[C@H](CO)S(=O)(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1 2157801186 WRIISJIJTDJIBI-SSDOTTSWSA-N 342.826 0.834 10 10 ECCE CN1C(=O)C(=C2C(=O)N(CC(N)=O)c3ccccc32)SC1=S 2296664571 OGLYVIOWMCEFCG-UHFFFAOYSA-N 333.394 0.720 10 10 ECCE COc1ccc(N(C)C(=O)C=Cc2cn(C)c(=O)n(C)c2=O)cc1F 2298720278 ZNARVHKYUPMNEW-UHFFFAOYSA-N 347.346 0.908 10 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CCN(CC(N)=O)c1cc2c(cc1Br)[C@@H](N)C(=O)N2 723181299 JASSNADSBUTPPL-LLVKDONJSA-N 327.182 0.713 10 10 ECCE COc1ccc(N2CC[C@@H](NC(=O)N3CCO[C@@H](C(N)=O)C3)C2)cc1 854301408 PCJJHAAETNAZTM-IUODEOHRSA-N 348.403 0.170 10 10 ECCE CC(=O)NC[C@@H]1CCCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C1 1329409362 IGCRXAOHYGRSBD-ZDUSSCGKSA-N 345.399 0.609 10 10 ECCE CN(C)c1ccc(CNC(=O)C(=O)N2CC[C@]23CCOC3)cc1F 1261393410 BWUDFIJXGQLZFA-QGZVFWFLSA-N 335.379 0.899 10 10 ECCE O=C(NCCc1ccc(O)c(O)c1)[C@@H]1C[C@H](O)CN1c1ccncn1 1465982223 XZRXLTGUIOILQI-STQMWFEESA-N 344.371 0.186 10 10 ECCE NS(=O)(=O)N1CCC[C@@H](C(=O)NCc2c(O)cccc2F)C1 1596913111 VTXOGMGKYIOSOJ-SECBINFHSA-N 331.369 0.063 10 10 ECCE CN(C)c1ccc(CNC(=O)C(=O)NCc2ccnn2C)cc1F 283873976 BYKIFVWPOZMSPU-UHFFFAOYSA-N 333.367 0.558 10 10 ECCE NC(=O)[C@H]1C[C@@H](NC(=O)NCc2ccc(N3CCOCC3)cc2)C1 844911999 BPEQEABKJRQXJI-OKILXGFUSA-N 332.404 0.586 10 10 ECCE COc1ccc(N2CC[C@H](NC(=O)c3nnc(O)nc3O)C2)cc1 855231520 BIRPSWPVQKNDDK-VIFPVBQESA-N 331.332 0.300 10 10 ECCE COc1cccc(CNC(=O)C(=O)Nc2cn(C)nc2OC)c1O 789571441 NXBRXNRDFAAQEZ-UHFFFAOYSA-N 334.332 0.398 10 10 ECCE COc1ccc(-n2nnnc2CNC[C@H](C)NC(=O)C2CC2)cc1 1321770572 KQDBQLOJYKJPPS-NSHDSACASA-N 330.392 0.675 10 10 ECCE COC(=O)[C@@H]1CCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)[C@@H]1C 1329493997 KAWPUFZSHQPSNT-ZYHUDNBSSA-N 332.356 0.644 10 10 ECCE CC(=O)N/C(=C/C1=S=CC=C1)C(=O)Nc1ccnc2ccnn12 1465378468 WNUYASFCFTUNKD-FMIVXFBMSA-N 327.369 0.965 10 10 ECCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cn([C@@H]2CC[C@H]2O)nn1 1556158321 XJUBCHFHPQHUMO-OASPWFOLSA-N 332.360 0.746 10 10 ECCE CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)CC(=O)OC 1632357056 ZGJNIDMWPXXRAQ-JTQLQIEISA-N 325.317 0.251 10 10 ECCE Cn1cc(-n2cc(C(=O)NCc3ccc(O)cc3O)ccc2=O)cn1 1639444218 BYADRRAVBQIJSB-UHFFFAOYSA-N 340.339 0.912 10 10 ECCE CCOC(=O)c1c(NC(=O)[C@@H](N)CC(N)=O)sc2c1CCC2 385875184 KIFCASKSLMJDRE-QMMMGPOBSA-N 325.390 0.555 10 10 ECCE CC(C)(C)OC(=O)NC(CO)(CO)CNCc1ccccc1O 2244284823 XDQCGUDJEBBVJK-UHFFFAOYSA-N 326.393 0.730 10 10 ECCE COc1ccc(-n2nc(C)c(C=C3C(=O)NC(=O)NC3=O)c2O)cc1 101144314 QGVYNUFQKPFRBR-UHFFFAOYSA-N 342.311 0.644 10 10 ECCE CN1CCC[C@H](NC(=O)C(=O)NCc2ccc3c(c2)CCCN3C)C1 803687981 JEWNLITVLYJTHS-INIZCTEOSA-N 344.459 0.896 10 10 ECCE NC(=O)c1cn(C2CN(Cc3cc(Cl)c(F)cc3O)C2)nn1 839143797 PWRNTEVFFUINDQ-UHFFFAOYSA-N 325.731 0.932 10 10 ECCE COc1ncccc1N(C)C(=O)C1=CC=CN2CCS(=O)(=O)N=C12 737684001 ILKOSAWCISJHGG-UHFFFAOYSA-N 348.384 0.551 10 10 ECCE CC(=O)N1CCN(C(=O)[C@@H](C)N2CCCc3cc(CN)ccc32)CC1 843349670 IBIUJXJGZRDZQQ-CQSZACIVSA-N 344.459 0.977 10 10 ECCE CS(=O)(=O)Nc1ccc(O)c(C(=O)N[C@H]2CCn3cncc32)c1 857984335 YRNRYXZKFRDWLS-NSHDSACASA-N 336.373 0.835 10 10 ECCE CNS(=O)(=O)c1csc(C(=O)NCc2c(O)cccc2O)c1 1178912895 XXZFHBUCMOYDPD-UHFFFAOYSA-N 342.398 0.997 10 10 ECCE COCC(=O)NCCC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 1328439859 UAYZJUOKJYLQFE-CYBMUJFWSA-N 335.404 0.543 10 10 ECCE COC(=O)[C@]1(OC)CCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C1 1261868289 GIZFUCDEFPMFIC-KRWDZBQOSA-N 348.355 0.025 10 10 ECCE COc1ccc(CNC[C@H](O)CN(C)C(=O)Cn2cncn2)cc1C 1284457712 UPZPFRJSRIJMHD-HNNXBMFYSA-N 347.419 0.204 10 10 ECCE Cc1ccc(C(=O)N2C[C@@H](C)[C@H](CS(N)(=O)=O)C2)c(O)c1O 1639656689 XVVHXFWVRFYRNH-ZJUUUORDSA-N 328.390 0.403 10 10 ECCE COC(=O)[C@H]1CCN(C(=O)c2cccc(O)c2O)[C@H](C(=O)OC)C1 1566738141 YJWLPYDIHYDEFE-ONGXEEELSA-N 337.328 0.665 10 10 ECCE C[C@@H](NC(=O)/C=C\c1cn(C)c(=O)n(C)c1=O)c1ccccc1O 1642824068 DVPQBEQFQDCTNT-TYBABMIJSA-N 329.356 0.680 10 10 ECCE NS(=O)(=O)c1cc(C(=O)NCc2ccc(O)cc2O)cs1 1570461597 VXGXFNKWXHMJAX-UHFFFAOYSA-N 328.371 0.737 10 10 ECCE Cn1cc(-n2cc(C(=O)NCc3cccc(O)c3O)ccc2=O)cn1 1644710824 KNWUIGQSLJMSGG-UHFFFAOYSA-N 340.339 0.912 10 10 ECCE O=C1CNC(=O)c2ccc(C(=O)NCc3ccc(O)cc3O)cc2N1 1643104410 XKLWGISLQOLHAX-UHFFFAOYSA-N 341.323 0.710 10 10 ECCE CC(=O)N1CCN(CCNC(=O)c2ccc(N=NC(N)=O)cc2)CC1 1577858797 IELRYSRDLVHLOP-UHFFFAOYSA-N 346.391 0.743 10 10 ECCE N[C@H]1C[C@@H]2CN(Cc3c(O)cccc3Br)CCN2C1=O 2173416303 MGSQEIGNIZXXFP-SKDRFNHKSA-N 340.221 0.899 10 10 ECCE O=C1COC[C@@H]2CN(c3ccc(CO)c(Br)c3)CCN12 2236932718 AEANAYKBCXAHJF-LBPRGKRZSA-N 341.205 0.989 10 10 ECCE CCOC(=O)c1cnn2c(O)cc(CN3C[C@@H](O)CC[C@@H]3C)nc12 817287864 GGTJLNGPEDSUGI-JQWIXIFHSA-N 334.376 0.957 10 10 ECCE Cn1cc(N2CC[C@H](NC(=O)Cc3ccc(O)c(O)c3)C2=O)cn1 1147456661 VDHCFJISAJJOIH-LBPRGKRZSA-N 330.344 0.296 10 10 ECCE O=C(NCc1ccc(N2CCCC2)cc1)C(=O)N1CC=C[C@@H]1CO 1350386351 LXMRITHYEANNRV-MRXNPFEDSA-N 329.400 0.662 10 10 ECCE OC[C@@H]1C[C@H](NCc2cccc(Br)c2O)[C@@H](O)[C@@H]1O 2121467768 NXVQSETUOYHOLA-LOHPEHISSA-N 332.194 0.347 10 10 ECCE CNC(=O)CN[C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)[C@@H]1C 1486095328 IBEIGRANIHGXBL-MFKMUULPSA-N 346.391 0.788 10 10 ECCE Cn1ccc(N2CCC[C@@H](NC(=O)Cc3ccc(O)c(O)c3)C2=O)n1 1634471788 APTKICNNGSMWNO-GFCCVEGCSA-N 344.371 0.686 10 10 ECCE CS(=O)(=O)C[C@H](O)CNC(=O)c1cc2cc(O)c(O)cc2s1 1648135434 IRUUIBSZAKVTHJ-MRVPVSSYSA-N 345.398 0.448 10 10 ECCE COc1ccc(CN[C@@H](CO)CNC(=O)c2cnn(C)c2N)cc1C 1571427281 NMTVAFGLOWEPHY-CYBMUJFWSA-N 347.419 0.200 10 10 ECCE Nc1ccc(CC(=O)N[C@H]2CCCCN2[C@H]2C(=O)CSC2=O)cc1 1865957011 ORSHGOKGNWKYTB-ZBFHGGJFSA-N 347.440 0.951 10 10 ECCE CCNCc1ccc(N2C[C@@H](O)[C@@H](O)[C@@H]2CO)c(Br)c1 2357915483 AMYYHSQGPUNOSP-MJBXVCDLSA-N 345.237 0.461 10 10 ECCE CC(=O)Nc1nnc(S(=O)(=O)N(C)c2ccc(N)cc2)s1 228646279 PUZWIYFVQVMKFV-UHFFFAOYSA-N 327.391 0.904 10 10 ECCE CC(C)[C@]1(C(=O)O)N[C@H](c2ccc(O)c(O)c2)[C@@H]2C(=O)N(C)C(=O)[C@H]21 248200675 VOSWLWJPQIBTRN-ZHRONYKTSA-N 348.355 0.453 10 10 ECCE CN(C)c1ccc(CNC(=O)CN2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)cc1 368972011 DYTKBABNYARSEM-QILLFSRXSA-N 344.459 0.955 10 10 ECCE C[C@@H]1CCNC[C@@H]1NC(=O)C(=O)NCCCSc1nccs1 842091446 CUNAWDYEENNJBR-MNOVXSKESA-N 342.490 0.856 10 10 ECCE CS(=O)(=O)Nc1ccc(O)c(C(=O)N2C[C@@H]3C[C@H]2C[S@@]3=O)c1 846562049 SFJXHXUOSQCNTA-FRGLDACASA-N 344.414 0.109 10 10 ECCE O=C(NCc1cc(Br)ccc1O)C1(n2cnnn2)CC1 854442432 RQHLWVWKRIMMMZ-UHFFFAOYSA-N 338.165 0.947 10 10 ECCE COC(=O)[C@H]1CCCN(CC(=O)NCc2ccc(N(C)C)cc2)C1=O 929406247 WYXXUXNVAUZASQ-HNNXBMFYSA-N 347.415 0.780 10 10 ECCE COCCN1CCCN(Cc2cc3c(cc2O)OC[C@H]3O)CC1=O 787250175 QTZOJZXEAFHFPR-OAHLLOKOSA-N 336.388 0.499 10 10 ECCE CCOC(=O)c1cnn2c(O)cc(CN3CC[C@@H]4CN(C)C[C@@H]43)nc12 794929961 PPWJLHMTAWKZNJ-RISCZKNCSA-N 345.403 0.748 10 10 ECCE CN(CCN[C@H]1CCNC1=O)C(=O)c1ccc(N=NC(N)=O)cc1 1317663862 BQTHEIVAWMUXPF-LBPRGKRZSA-N 332.364 0.399 10 10 ECCE COc1ccc(CN[C@H](CO)CNC(=O)Cc2cc[nH]n2)cc1C 1700788400 SXCIVWIRJVKSPK-HNNXBMFYSA-N 332.404 0.536 10 10 ECCE Cn1cc([C@H](NC(=O)Cc2ccc(O)c(O)c2)c2ncon2)cn1 1556796961 KWWGJZBBJKAJFH-AWEZNQCLSA-N 329.316 0.663 10 10 ECCE CCC(=O)NC[C@H](C)CNCc1nnnn1-c1ccc(OC)cc1 1715216767 AGYKTAWKKCHFPO-GFCCVEGCSA-N 332.408 0.923 10 10 ECCE O=C1NC(=O)[C@@]2(CCN(Cc3c(O)cccc3Br)C2)N1 2170620221 ZLSQVFCWDNAHDE-ZDUSSCGKSA-N 340.177 0.939 10 10 ECCE CSc1ncc(CNS(=O)(=O)N2C[C@@H](C)N[C@H](C)C2)s1 2284497992 KUGIGKJNTJWDSM-RKDXNWHRSA-N 336.508 0.882 10 10 ECCE Nc1ccc(NC(=O)C(=O)N[C@@H]2CCCN3CCSC[C@H]23)cc1 927857942 OBEJBMFNBZYPJL-ZIAGYGMSSA-N 334.445 0.903 10 10 ECCE O=C(NCCCSc1nccs1)C(=O)N1CC=C[C@H]1CO 1119536992 AWKUDIPRBHWYKN-JTQLQIEISA-N 327.431 0.501 10 10 ECCE CO[C@@H]1CCC[C@@H](NC(=O)C2=NN(c3ccccc3)C(=O)C2)[C@@H]1O 1615075551 HYHMRGWBTGVQHS-XPKDYRNWSA-N 331.372 0.824 10 10 ECCE COc1cc(C(=O)N[C@H](C)CN(C)C(=O)c2cnon2)cc(OC)n1 1738850174 WVZZXTOGHVIAQI-SECBINFHSA-N 349.347 0.372 10 10 ECCE Cc1ccc(/C=C2\SC(=S)N(CC(=O)NCC(=O)O)C2=O)o1 16905445 VJOJJBAHTSGSJS-WTKPLQERSA-N 340.382 0.990 10 10 ECCE NCc1ccc(N2CCC[C@@](O)(C(N)=O)C2)cc1Br 311862745 RFYOUIDBGZTFFO-ZDUSSCGKSA-N 328.210 0.724 10 10 ECCE OCc1ccc(N2CCOC[C@H]2[C@@H](O)CO)c(Br)c1 2090129988 ZUMVEMKJYYLQSK-STQMWFEESA-N 332.194 0.500 10 10 ECCE CC1=NN(c2nc(C)cc(C)n2)C(=O)/C1=C/NCCN1CCOCC1 111151232 SJBBRLXIZGUWAA-RVDMUPIBSA-N 344.419 0.622 10 10 ECCE COc1ccc(CN2C[C@@H](C(=O)OCC(=O)C(C)=O)CC2=O)cc1 808512528 LUFCOTDGRIWPPF-ZDUSSCGKSA-N 333.340 0.745 10 10 ECCE COc1ccc(N2CC[C@@H](NC(=O)C(=O)N[C@@H]3CCOC3)C2)cc1 827955197 AWEMJUVTDXRCBH-CHWSQXEVSA-N 333.388 0.295 10 10 ECCE COc1ccc(N2CC[C@@H](NC(=O)[C@H]3OCCN(C)C3=O)C2)cc1 912292952 QUOCFQRKWSJGAI-IUODEOHRSA-N 333.388 0.247 10 10 ECCE COc1ccc(N2CCN(CCNC(=O)NC/C=C/CN)CC2)cc1 841749251 BVQPJNUIOUWMFA-NSCUHMNNSA-N 347.463 0.631 10 10 ECCE CN(Cc1ccc(N(C)C)cc1)C(=O)CN1C[C@@H]2C[C@H]1C[S@]2=O 844430761 DDKRDSNMUWPESG-PBPSECFOSA-N 335.473 0.916 10 10 ECCE COc1ccc(N2CCN(C[C@H](O)CN(C)C3CNC3)CC2)cc1 923357363 YBJUFEUFRKYGPH-QGZVFWFLSA-N 334.464 0.082 10 10 ECCE C[C@@]12CN(C(=O)/C=C/c3ccc(O)c(O)c3)C[C@]1(C)C(=O)NC2=O 1170944607 VIRAJFRQOVJZCX-INDMPGQXSA-N 330.340 0.622 10 10 ECCE N[C@@H]1C(=O)Nc2cc(N3CCS(=O)CC3)c(Br)cc21 92775548 LZBIJZBQXKZWRR-NSHDSACASA-N 344.234 0.970 10 10 ECCE C[C@@H](NC(=O)C(=O)N1CCNC(=O)CC1)c1ccc(N(C)C)cc1 1261113167 ONQFTQTUPXPSLV-GFCCVEGCSA-N 332.404 0.278 10 10 ECCE NC(=O)N=Nc1ccc(C(=O)NC2CN(CCOCCO)C2)cc1 1481607481 QCNPHZUYJCRGQU-UHFFFAOYSA-N 335.364 0.272 10 10 ECCE CCOC(=O)[C@@H](NC(=O)c1cccc(O)c1O)[C@@H](O)c1ccncc1 1634771886 SNXPFFVKCDGTBN-KBPBESRZSA-N 346.339 0.888 10 10 ECCE 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COc1cc(C(=O)N[C@H](C)CNC(=O)[C@H](C)OC)cc(OC)n1 1295436505 UQQDXICKXBVZCK-ZJUUUORDSA-N 325.365 0.368 10 10 ECCE COc1ccc(CNC(=O)[C@]2(OC)CCS(=O)(=O)C2)c(O)c1 1639459234 VPEIOKFLISTPCY-AWEZNQCLSA-N 329.374 0.221 10 10 ECCE CN1C[C@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2O)C(C)(C)C1 1645240680 KPEQSDAIQCKRAF-ZDUSSCGKSA-N 341.433 0.834 10 10 ECCE CNC(=O)[C@H]1COCCN1c1cc(Br)c(CN)cc1F 312571435 JHPJRZVVRZQMGT-GFCCVEGCSA-N 346.200 0.998 10 10 ECCE COC(=O)COc1ccc(C=C2C(=O)NC(=O)N(C)C2=O)cc1OC 2294133761 ICWJFQFABIDGKZ-UHFFFAOYSA-N 348.311 0.339 10 10 ECCE CN1CC2(CN(c3ccc(CO)cc3Br)C2)OCC1=O 2289668851 WRYQPYGITTWKAT-UHFFFAOYSA-N 341.205 0.989 10 10 ECCE CNS(=O)(=O)c1ccc2c(c1)N(C(=O)/C=C\c1cnccn1)CC2 491928229 XGUYRQZUHIRSSB-HYXAFXHYSA-N 344.396 0.987 10 10 ECCE CC(=O)C(=O)COC(=O)[C@H](CCS(C)(=O)=O)c1ccccc1 808545495 CQCXEJSVNKLJGQ-CYBMUJFWSA-N 326.370 0.906 10 10 ECCE COc1ccc(N2CC[C@@H](NC(=O)N3CCOC[C@H]3CO)C2)cc1 923182484 GDQSNVNBJGRIDF-UKRRQHHQSA-N 335.404 0.677 10 10 ECCE 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O=C(NCCNC(=O)c1cc(O)c(O)c(O)c1)c1cc(O)cc(O)c1 169839078 RBUGVHOTDLULQH-UHFFFAOYSA-N 348.311 0.374 10 10 ECCE CN1CCN(Cc2cc(N)ccc2O)[C@H](CNC(=O)C(F)(F)F)C1 2044675222 ATTFDKIJOJGQGB-GFCCVEGCSA-N 346.353 0.769 10 10 ECCE CCNCc1ccc(N2C[C@H](O)[C@@H](O)[C@H]2CO)cc1Br 2201037716 VWUBSZKUDQSHKJ-RDBSUJKOSA-N 345.237 0.461 10 10 ECCE N=c1nc(O)c(C=C2C(=O)NN(c3ccccc3)C2=O)c(Cl)[nH]1 2313518319 OKTDGVJYDJMDKJ-UHFFFAOYSA-N 331.719 0.710 10 10 ECCE Nc1ccc(NS(=O)(=O)c2cccc(S(N)(=O)=O)c2)cc1 36283885 ODGQDJXOEGHIOY-UHFFFAOYSA-N 327.387 0.717 10 10 ECCE CN(C)c1ccc([C@H](N)CNS(=O)(=O)c2cnc3n2CCC3)cc1 842786154 ZZTYIUDNVSFBCY-CQSZACIVSA-N 349.460 0.874 10 10 ECCE COc1ccc(N2CC[C@@H](NCc3cn(C)c(=O)n(C)c3=O)C2)cc1 850346422 UXJJDFDTZWMFKP-CQSZACIVSA-N 344.415 0.461 10 10 ECCE CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)C[C@H]1CNCCO1 866745555 YJTYTZZRBRLEKM-MRXNPFEDSA-N 341.477 0.893 10 10 ECCE CC(=O)N1C[C@H]2CN(C(=O)C(=O)N3Cc4cccc(O)c4C3)C[C@H]2C1 1336469311 XJKZAPSNWOWEAQ-OKILXGFUSA-N 343.383 0.171 10 10 ECCE O=C(NCc1ccc(N2CCOCC2)c(F)c1)[C@@H]1C[C@@H](F)CN1 1616052688 BWUREQRUAYAISK-OCCSQVGLSA-N 325.359 0.979 10 10 ECCE C/C=C/[C@H](O)C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 900279679 WBXDRCKDDZZGTJ-FAAWYNLUSA-N 338.429 0.475 10 10 ECCE COc1ccc(N2CCN(C(=O)[C@]34CNC[C@H]3COC4)CC2)cc1F 846674964 ZIOWBLMEBJAVPS-UGSOOPFHSA-N 349.406 0.719 10 10 ECCE O=C(NCC[C@]1(O)CCOC1)NCc1ccc(N2CCOCC2)cc1 844913700 UDVJQNQELTVFFR-SFHVURJKSA-N 349.431 0.864 10 10 ECCE COC(=O)[C@@H]1OCC[C@@H]1NCC(=O)N(C)Cc1ccc(N(C)C)cc1 852417741 WTGHUNBNPYWTCJ-DOTOQJQBSA-N 349.431 0.631 10 10 ECCE CN(C)c1ccc(CNC(=O)CN2CCNC(=O)CC2(C)C)cc1 931203254 ARKRBBHJTVKVQE-UHFFFAOYSA-N 332.448 0.969 10 10 ECCE COc1ccc(CN[C@H](C)CNC(=O)Cn2ncn(C)c2=O)cc1C 1317251058 HHGJPIZUFVOWEH-CYBMUJFWSA-N 347.419 0.193 10 10 ECCE CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CC[C@]23CCOC3)c1 1329625831 YDCFITHEAVAHAU-CQSZACIVSA-N 326.374 0.769 10 10 ECCE COc1ccc(CNC[C@H](O)CNC(=O)c2cnsn2)cc1C 1716079687 KYPDOBTWUNQBCJ-LBPRGKRZSA-N 336.417 0.736 10 10 ECCE CC[C@@H](C)NC(=O)CN1CCN(C(=O)Cc2ccc(O)c(O)c2)CC1 1625197786 USMRVQSIDKISCF-CYBMUJFWSA-N 349.431 0.699 10 10 ECCE C[C@H](NC(=O)NCc1nnc2c(=O)[nH]ccn12)c1ccccc1O 1638501086 BCEZKPCQQLATER-VIFPVBQESA-N 328.332 0.684 10 10 ECCE COC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)/C=C\c1ccc(O)c(O)c1 1647788662 MWXCBQFMSIPEAD-KTLBGCOUSA-N 331.328 0.735 10 10 ECCE CN[C@@H]1C(=O)Nc2cc(N3CC(O)(CO)C3)c(Br)cc21 2171959336 IXCRYBOYTSUIMD-NSHDSACASA-N 342.193 0.205 10 10 ECCE CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](Nc2c(N)cccc2C(N)=O)C1 1908510573 FVDYDQQHZIQVDT-VXGBXAGGSA-N 336.392 0.760 10 10 ECCE C[C@H](N)c1ccc(N2C[C@H](O)[C@@H](O)[C@H](CO)C2)c(Br)c1 2289397925 HNIKEILZJKLKDY-LMVZTGKYSA-N 345.237 0.619 10 10 ECCE NC(=O)C[C@@H](C(=O)O)N1C(=O)C(=Cc2ccccn2)SC1=S 2314541546 NRQMFPCTZBJZLB-QMMMGPOBSA-N 337.382 0.611 10 10 ECCE Cn1cc(/C=C\C(=O)N2CCc3cc(F)c(F)cc32)c(=O)n(C)c1=O 490764141 PNQRQMCSOIMKKD-ARJAWSKDSA-N 347.321 0.965 10 10 ECCE COc1ccc(O)c([C@H](C)NC[C@@]23COCCN2C(=O)COC3)c1 866554084 OUGWFSKMYJHBAJ-SJCJKPOMSA-N 336.388 0.679 10 10 ECCE Cn1ncnc1C1(O)CN(Cc2c(O)cccc2Br)C1 895617224 YMIXCHCWPKMIOU-UHFFFAOYSA-N 339.193 0.987 10 10 ECCE C[C@@H](C(=O)NCCN=[N+]=[N-])N1CCN(C(=O)OC(C)(C)C)CC1=O 1963818876 ZUKHPRZRFJRGAV-JTQLQIEISA-N 340.384 0.881 10 10 ECCE CO[C@]1(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)CCS(=O)(=O)C1 1556157770 JMXDDEBWOCEUEZ-MEBBXXQBSA-N 343.401 0.349 10 10 ECCE O=C(Cn1nc2n(c1=O)CCCCC2)NCc1cc(O)ccc1O 1558174220 HTLIEZCHUQZSSW-UHFFFAOYSA-N 332.360 0.499 10 10 ECCE NC(=O)C1CCN(c2ccc(CNC(=O)[C@H]3CCNC3=O)cc2)CC1 1638488397 HSCNQFJCLQFQPN-HNNXBMFYSA-N 344.415 0.141 10 10 ECCE COc1ccc(CN[C@H](C)CCNC(=O)Cn2ncnn2)cc1C 1567214966 JJTQXRKMSCHLJK-CYBMUJFWSA-N 332.408 0.675 10 10 ECCE Cc1cn2nc(C(=O)NCCc3ccc(O)c(O)c3)cc2c(=O)[nH]1 1636021976 AYPRYQPMPIWWHP-UHFFFAOYSA-N 328.328 0.715 10 10 ECCE CC(C)(C)OC(=O)N1[C@H](COc2nnc(=N)[nH]n2)C[C@@H]2OCC[C@H]21 2213786727 BOKDMXDIBUQJIT-AEJSXWLSSA-N 338.368 0.225 10 10 ECCE CNCc1ccc(N2C[C@@H](O)[C@@H](O)[C@H]2COC)cc1Br 2358566439 XZZVSBOVCUGVAY-MCIONIFRSA-N 345.237 0.725 10 10 ECCE CN(C)CCN(C(=O)Nc1ccc(N)cc1)[C@@H]1CCS(=O)(=O)C1 217313625 HCDIXABZQCJULQ-CQSZACIVSA-N 340.449 0.851 10 10 ECCE O=C1NC(=S)N(c2ccc(F)cc2)C(=O)/C1=C/N1CCOCC1 135726674 WJANLADZEDWJLO-FMIVXFBMSA-N 335.360 0.790 10 10 ECCE NC(=O)[C@H]1CCCN1c1cc2c(cc1Br)[C@@H](N)C(=O)N2 703499129 ZOFOYXCSZSFSMF-MWLCHTKSSA-N 339.193 0.855 10 10 ECCE COc1ccc(O)c(CNS(=O)(=O)C[C@H](OC)[C@@H]2CCOC2)c1 849379494 RVOKZRUOROTNPM-ABAIWWIYSA-N 345.417 0.872 10 10 ECCE Nc1ccc(NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)S3(=O)=O)cc1 1118918246 VHUFEXYKGVDOPJ-OLZOCXBDSA-N 337.401 0.385 10 10 ECCE COc1ccc(N2CCN(C(=O)CSc3n[nH]c(O)n3)CC2)cc1 776432582 KWORUPNTGPQYPC-UHFFFAOYSA-N 349.416 0.960 10 10 ECCE Cc1nc(C(=O)NCc2ccc(N(C)C)c(F)c2)nn1-c1nc[nH]n1 1631437962 IXLSQCGMXBHOGM-UHFFFAOYSA-N 344.354 0.829 10 10 ECCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc2c(c1)COB2O 1633819588 SLGIVCGNAXALAT-SNVBAGLBSA-N 327.145 0.677 10 10 ECCE C[C@@H](NC(=O)c1nnc(O)nc1O)c1ccc(N2CCOCC2)cc1 1597908429 ODQWMLBDSQLHTN-SNVBAGLBSA-N 345.359 0.610 10 10 ECCE CN[C@@H]1C(=O)Nc2cc(N3C[C@H](O)[C@H](O)C3)c(Br)cc21 234438523 HHDCZAJCFQZACA-TUAOUCFPSA-N 342.193 0.204 10 10 ECCE NC(=O)[C@@H]1C[C@H](N)CN(Cc2c(O)cccc2Br)C1 2094656160 OCUHGOSJGGVWJM-BDAKNGLRSA-N 328.210 0.789 10 10 ECCE Cn1cccc1C=C1SC(=S)N([C@H](CC(N)=O)C(=O)O)C1=O 2314541202 HEYFJVVXAODVGX-MRVPVSSYSA-N 339.398 0.555 10 10 ECCE CC(=O)N[C@H]1[C@@H](OCc2ccccc2)O[C@H](CO)[C@H](O)[C@@H]1N=[N+]=[N-] 8311707 KSACWSAOWIMDGY-ZSAUSMIDSA-N 336.348 0.465 10 10 ECCE CN(C)S(=O)(=O)N1CCC[C@@H](NCc2cc(F)ccc2O)C1 809726220 GAKBMYHZVGCXCP-CYBMUJFWSA-N 331.413 0.892 10 10 ECCE CN1C[C@@H](O)C[C@@]1(C)C(=O)NCc1ccc(N2CCOCC2)cc1 900337350 GVZWDFLVDUQLLA-WMZOPIPTSA-N 333.432 0.595 10 10 ECCE COc1nccc(OC2CCN(C(=O)c3cc(O)nc(O)c3)CC2)n1 585333592 SAIXPCRVMXHWQX-UHFFFAOYSA-N 346.343 0.975 10 10 ECCE COc1ccc(N2CC[C@H](NC(=O)NCCN3CCOCC3)C2)cc1 849225158 POCVKIZHZBYDFY-HNNXBMFYSA-N 348.447 0.905 10 10 ECCE COC(=O)[C@@H]1OCC[C@@H]1NCC(=O)NCc1ccc(N(C)C)cc1 852414901 AVEJUWCRIRMGBT-GOEBONIOSA-N 335.404 0.289 10 10 ECCE O=C1COc2cc([N+](=O)[O-])c(N3CC[C@H](N4CCOC4=O)C3)cc2N1 853809442 NWWBRGWEWLHWOC-VIFPVBQESA-N 348.315 0.957 10 10 ECCE COc1ccc(N2CC[C@@H](NC(=O)N[C@@H]3CC(=O)N(C)C3)C2)cc1 852188918 QWIGCMIKJYUPRI-CHWSQXEVSA-N 332.404 0.804 10 10 ECCE C[C@H](NC(=O)Cn1cnnn1)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 1154669035 OUDLLHWGIBYCML-NEPJUHHUSA-N 345.407 0.121 10 10 ECCE COc1cc(N2C[C@H]3C(=O)N(C)C(=O)[C@H]3C2)c([N+](=O)[O-])cc1OC 1559259492 ZMGOKPQQFMFJEP-DTORHVGOSA-N 335.316 0.663 10 10 ECCE COc1cc(C(=O)N[C@H](C)CN(C)C(=O)c2ncc[nH]2)cc(OC)n1 1572255426 FIKSTXWVVFPGIU-SNVBAGLBSA-N 347.375 0.712 10 10 ECCE O=C(/C=C/c1ccc(O)c(O)c1)N[C@H](CO)[C@@H](O)c1cccnc1 1587162166 QCXMTRFVJJSBTM-UECWQGKISA-N 330.340 0.717 10 10 ECCE O=C(Cc1ccc(O)c(O)c1)NC[C@H](O)C(=O)OCc1ccccc1 1588566934 LKYBMASWTLMNKB-INIZCTEOSA-N 345.351 0.861 10 10 ECCE NCc1ccc(N2CCC(O)(C(N)=O)CC2)cc1Br 311605625 HYXXIEJGZIBBOR-UHFFFAOYSA-N 328.210 0.724 10 10 ECCE CCOC(=O)c1cnn2c(O)cc(CN3CN(C)C(=O)[C@@H]3C)nc12 830793744 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ECCE COc1ccc(CNC[C@H](O)CNC(=O)c2ccnc(C)n2)cc1C 1715615733 MSVSXJUOTPIDBL-HNNXBMFYSA-N 344.415 0.983 10 10 ECCE C[C@H](N)c1ccc(N2CC[C@](O)(C(N)=O)C2)c(Br)c1 381685639 BZSROYPQHGFRAO-ISVAXAHUSA-N 328.210 0.895 10 10 ECCE CC(C)(C)OC(=O)NC[C@]1(COc2nnc(=N)[nH]n2)CCCOC1 2213778626 JDTZLQXQWKJCDH-CQSZACIVSA-N 340.384 0.379 10 10 ECCE COC[C@]1(C(=O)OCC(=O)C(C)=O)CCN(C(=O)OC(C)(C)C)C1 811399253 ZMBMBDDKFZFSMM-INIZCTEOSA-N 343.376 0.961 10 10 ECCE CO[C@@H]1[C@H](N=[N+]=[N-])[C@H](OC(C)=O)O[C@H](COC(C)=O)[C@H]1OC(C)=O 575449067 NHLYMRLNKVUZPW-NZEXEKPDSA-N 345.308 0.463 10 10 ECCE C[C@@H](O)[C@@H]1CN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)CCO1 839673570 LDGFECAFWCJYLF-PBHICJAKSA-N 335.448 0.793 10 10 ECCE COc1ccc(N2CCN(CCNC(=O)CC3COC3)CC2)cc1 900405443 ABSFNRMYNXQIPO-UHFFFAOYSA-N 333.432 0.970 10 10 ECCE CC(=O)N1CCO[C@H](C(=O)NCc2ccc(N3CCOCC3)cc2)C1 930523773 RIQIPOLYYUFYGN-KRWDZBQOSA-N 347.415 0.387 10 10 ECCE COc1ccc(O)c([C@@H](C)NS(=O)(=O)C[C@@H]2CN(C)CCO2)c1 866841678 KEWIJYVVWAOSNS-YPMHNXCESA-N 344.433 0.712 10 10 ECCE CN1CCN(c2ccc(CN3CCn4c(CO)nnc4C3)cc2)CC1 775723950 KRCQZMSOJHSSAK-UHFFFAOYSA-N 342.447 0.538 10 10 ECCE CN(C)c1ccc(CNC(=O)C2(CS(C)(=O)=O)COC2)cc1 1123576366 QICARVIEOCSRFQ-UHFFFAOYSA-N 326.418 0.430 10 10 ECCE CN(C)c1ccc(CNC(=O)C(=O)NCCc2cnn(C)c2)cc1 1327315685 BZHWVNBJRUEJAT-UHFFFAOYSA-N 329.404 0.461 10 10 ECCE COc1ccc(CN[C@H]2C[C@H](CNC(=O)Cn3ncnn3)C2)cc1C 1263861711 KMTPUOOPCGDCPQ-SHTZXODSSA-N 344.419 0.675 10 10 ECCE COc1ccc(CN[C@@H](CO)CNC(=O)[C@H]2CCCN2C)cc1C 1278053509 HIEBHMFXJFEZFS-HZPDHXFCSA-N 335.448 0.665 10 10 ECCE CNC(=O)CN[C@@H]1C[C@H](C)N(C(=O)c2ccc(N=NC(N)=O)cc2)C1 1284029972 FUAMYWOZZJWRLY-GXFFZTMASA-N 346.391 0.788 10 10 ECCE Cn1cc(S(N)(=O)=O)cc1C(=O)NCc1ccc(O)cc1O 1638352952 XLDPFDQAYSDMTD-UHFFFAOYSA-N 325.346 0.014 10 10 ECCE O=C(Cc1ccc(O)c(O)c1)N1CC(CNC(=O)C(F)(F)F)C1 1558065919 JWEYCURDTIFERO-UHFFFAOYSA-N 332.278 0.777 10 10 ECCE CNC(=O)NCCC(=O)N[C@@H](C)CNCc1ccc(OC)c(C)c1 1732994449 IXEMPIURWMPLFX-ZDUSSCGKSA-N 336.436 0.917 10 10 ECCE CN(c1cc2c(cc1Br)[C@@H](N)C(=O)N2)C(CO)CO 311711455 NQRWLZNGTFKAST-LLVKDONJSA-N 330.182 0.190 10 10 ECCE COC[C@@H]1[C@@H](O)[C@@H](O)CN1c1ccc(CN)cc1Br 2225700194 JAYXFISCMCEYOI-FRRDWIJNSA-N 331.210 0.465 10 10 ECCE NC(=O)[C@H]1CCN(c2cc3c(cc2Br)[C@@H](N)C(=O)N3)C1 723175119 GFBFGKSQYQGANJ-UPONEAKYSA-N 339.193 0.713 10 10 ECCE COc1cc(O)c(CN2CCN(CCN(C)C)C(=O)C2)cc1OC 844714738 PQJSHYBKQPULFJ-UHFFFAOYSA-N 337.420 0.615 10 10 ECCE CN(C)CCN1CCN(Cc2cc3c(cc2O)OC[C@H]3O)CC1=O 844713738 FITMAXRTDAQKDY-OAHLLOKOSA-N 335.404 0.024 10 10 ECCE COc1ccc(N2CC[C@@H](NC(=O)C(=O)N[C@H](CN)C3CC3)C2)cc1 851688945 HQIRTXABRMNNQT-CZUORRHYSA-N 346.431 0.244 10 10 ECCE Cc1nnc(CN(C)CC(=O)NCCc2ccc(O)c(O)c2)n1C 762261139 HXBOEIGIEHFYKM-UHFFFAOYSA-N 333.392 0.325 10 10 ECCE Cc1nn(C)cc1C1=NO[C@@H](C(=O)NCc2ccc(O)cc2O)C1 1299573334 JTNXOWIKOQVGBX-OAHLLOKOSA-N 330.344 0.949 10 10 ECCE COC(=O)[C@@H]1CCN1C(=O)c1cc(NS(C)(=O)=O)ccc1O 1472086551 CRULYSLFVOTYKM-JTQLQIEISA-N 328.346 0.151 10 10 ECCE C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(O)c(O)c1 1545639428 OIVNEYWPJUGCRX-RNCFNFMXSA-N 340.376 0.988 10 10 ECCE CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)c1cccc(O)c1O 1543173824 PFXHYKCWBOLCRE-JTQLQIEISA-N 328.390 0.642 10 10 ECCE COc1ccc(CNC(=O)NCc2nc(C(N)=O)cs2)c(O)c1 1687091741 YNBPYTPSSGXOEJ-UHFFFAOYSA-N 336.373 0.956 10 10 ECCE CNC(=O)[C@H]1CNCCN1Cc1cc(Br)ccc1O 234370148 WTEFYSGNNOPQID-LLVKDONJSA-N 328.210 0.675 10 10 ECCE Cn1nc(Br)c(=NC(=O)c2cc(O)c(O)c(O)c2)[nH]1 2343014836 ACQGALWZILXMPG-UHFFFAOYSA-N 329.110 0.369 10 10 ECCE NC(=O)N=Nc1ccc(C(=O)NC[C@H](CO)NCCCF)cc1 1700807884 KCVKQXSPCVYOLV-GFCCVEGCSA-N 325.344 0.889 10 10 ECCE NC(=O)N=Nc1ccc(C(=O)NCCNC(=O)[C@@]23COC[C@@H]2C3)cc1 1758027968 QNBAXXOVLUYFQW-ZBEGNZNMSA-N 345.359 0.732 10 10 ECCE CCOC(=O)c1cnn2c(O)cc(CN[C@H](C(N)=O)[C@@H](C)CC)nc12 1660132987 FGLYDEZJEBZXHY-ZANVPECISA-N 349.391 0.601 10 10 ECCE COc1cccc(CNC(=O)NCCCCS(N)(=O)=O)c1O 1681523831 VBAPKDXYKMIDQS-UHFFFAOYSA-N 331.394 0.269 10 10 ECCE NC(=O)c1nc(CNCc2cccc(Br)c2O)no1 2270352810 FAEUFXWBBRGHJG-UHFFFAOYSA-N 327.138 0.926 10 10 ECCE COc1ccc(N2C(=O)NC(=O)C(=CNCCN(C)C)C2=O)cc1 2296088921 WWYQIAOXFPZWJE-UHFFFAOYSA-N 332.360 0.313 10 10 ECCE COc1ccccc1N1C(=O)NC(=O)C(=CNCCCN(C)C)C1=O 2296565388 NISMDNVYFSLBGG-UHFFFAOYSA-N 346.387 0.703 10 10 ECCE COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@H]1COC(=O)N1 295051839 XUQDQXYBOGETKL-SNVBAGLBSA-N 342.735 0.656 10 10 ECCE CCN(CC)C(=O)CSc1nnc(SCC(=O)C(C)=O)n1N 808015382 PMARKBORGDZPRG-UHFFFAOYSA-N 345.450 0.203 10 10 ECCE CN(C)c1ccc(CNC(=O)CN2C(=O)NC(C)(C)C2=O)cc1F 746797886 GWXOWMWNIMPDSN-UHFFFAOYSA-N 336.367 0.838 10 10 ECCE COc1ccc(N2CC[C@H](NC(=O)[C@H]3CCCS3(=O)=O)C2)cc1 855226774 UELMFWWIXDPKIT-SWLSCSKDSA-N 338.429 0.967 10 10 ECCE CO[C@@]1(CNC(=O)N[C@H](C)c2ccccc2O)CCS(=O)(=O)C1 1251163377 XFLOFHWMDYFHDN-IAQYHMDHSA-N 342.417 0.956 10 10 ECCE CNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 1265461507 UCUXCKGAHWBILM-MFKMUULPSA-N 346.391 0.788 10 10 ECCE COC(=O)[C@H](CCC1OCCO1)NC(=O)c1cccc(O)c1O 1558042850 HWSSMJQNNHGKEG-JTQLQIEISA-N 325.317 0.522 10 10 ECCE Cn1cc(S(N)(=O)=O)cc1C(=O)NCc1cc(Cl)ccc1O 1628666544 FTQWLOBTMWMLGC-UHFFFAOYSA-N 343.792 0.962 10 10 ECCE COc1ccc(CNCCN(CCO)C(=O)[C@H]2CCC(=O)N2)cc1C 1672596116 XRIVJPVMSHPVFL-OAHLLOKOSA-N 349.431 0.193 10 10 ECCE COc1ccc(OC)c(N2C(=O)NC(=O)C(=CNC3CC3)C2=O)c1 2296114048 JNESSMVWFRAYGC-UHFFFAOYSA-N 331.328 0.923 10 10 ECCE CN1CCN(C(=O)/C=C\c2ccc(N3CCOCC3)cc2)CC1=O 255011353 JAADHMXQOCLRCZ-DAXSKMNVSA-N 329.400 0.837 10 10 ECCE C[C@H](NC(=O)C(=O)N(C)[C@@H](C)CO)c1ccc(N2CCOCC2)cc1 803299731 NATRWLXYALNODF-KBPBESRZSA-N 349.431 0.540 10 10 ECCE COC[C@H]1CCN1C[C@H](O)CN1CCN(c2ccc(OC)cc2)CC1 815127600 CBYBZJIXORBDLL-QZTJIDSGSA-N 349.475 0.899 10 10 ECCE CN[C@@H](C)c1ccc(N(CC(N)=O)CC(N)=O)c(Br)c1 723172672 ZVJLYKIFWJYORA-QMMMGPOBSA-N 343.225 0.507 10 10 ECCE COc1ccc(N2CC[C@@H](NC(=O)NC[C@]3(O)CCN(C)C3)C2)cc1 854299353 ORYVJHLATCCYHN-RDTXWAMCSA-N 348.447 0.640 10 10 ECCE COC[C@H](O)CCNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 854299599 PWKSYHKCTSFHLY-UKRRQHHQSA-N 337.420 0.971 10 10 ECCE CN(Cc1ccc(N(C)C)cc1)C(=O)CN1CCO[C@@H](CC(N)=O)C1 860019882 MTRIBLCWBZRKNT-INIZCTEOSA-N 348.447 0.287 10 10 ECCE NC(=O)c1cn(CCCCNC(=O)NCc2ccccc2O)nn1 1686760081 BRBCGMLBECRPBQ-UHFFFAOYSA-N 332.364 0.362 10 10 ECCE COc1ccc(N2CCN(CC(=O)N[C@H](C)C(=O)N(C)C)CC2)cc1 51231037 HOLQRXIZQMHCER-CQSZACIVSA-N 348.447 0.410 10 10 ECCE CN1CCN(c2ccc(CNC(=O)[C@@]3(C)C[C@@H](O)CN3C)cc2)CC1 918829662 DWNYJPAJTHECTH-IEBWSBKVSA-N 346.475 0.510 10 10 ECCE CN(C)c1ccc([C@@H](N)CNC(=O)CN2C(=O)NC(C)(C)C2=O)cc1 843297762 JREKJBOBFFSBQD-ZDUSSCGKSA-N 347.419 0.199 10 10 ECCE COc1ccc(N2CCN(CCN[C@@H]3CNCCOC3)CC2)cc1 925502234 GELGEUIGYWOITC-MRXNPFEDSA-N 334.464 0.395 10 10 ECCE COCC[C@H](CO)NC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 854297655 QAQOVTLUZWBATM-ZIAGYGMSSA-N 337.420 0.971 10 10 ECCE COc1ccc(N2CC[C@@H](NC(=O)NCCCOCCO)C2)cc1 854299082 KRBJLPWQQLYRLF-CQSZACIVSA-N 337.420 0.972 10 10 ECCE CS(C)(=O)=NS(=O)(=O)CCNCc1ccc2c(c1)CCO2 922492580 YQBVUNFSSKNIBD-UHFFFAOYSA-N 332.447 0.769 10 10 ECCE CC1(C)CN(Cc2cc3c(cc2O)OC[C@@H]3O)CCS1(=O)=O 768462647 BAJOCIHLUJSMIN-ZDUSSCGKSA-N 327.402 0.827 10 10 ECCE COc1cccc([C@H](C)NC[C@]23COCCN2C(=O)COC3)c1O 866554950 PAZYCNDHZPRLAJ-YVEFUNNKSA-N 336.388 0.679 10 10 ECCE O=C(/C=C\c1ccc(O)c(O)c1)N1CCN(c2nccnn2)CC1 862435146 PARZTBBSRRZQIJ-RQOWECAXSA-N 327.344 0.645 10 10 ECCE CN(C)c1ccc(CNC(=O)C(=O)N2CC(F)(F)C[C@H]2CO)cc1 1321420795 VHZJZGSMYDEJRN-ZDUSSCGKSA-N 341.358 0.597 10 10 ECCE Nc1nnn(CC(=O)NCc2ccc(N3CCSCC3)cc2)n1 1441634548 WVJWEGPFBDUFOY-UHFFFAOYSA-N 333.421 0.125 10 10 ECCE CC(=O)N1CCN(c2ccc(CNC(=O)[C@@]34CNC[C@H]3C4)cc2)CC1 1521686870 RDCPTZTYSRCADV-APWZRJJASA-N 342.443 0.581 10 10 ECCE COc1ccc(CNC[C@H](O)CNC(=O)c2ccnnc2C)cc1C 1716092744 DTTZHSOAZSXRGK-HNNXBMFYSA-N 344.415 0.983 10 10 ECCE O=C(Cc1ccc(O)c(O)c1)N1CCS(=O)(=O)[C@H]2COCC[C@@H]21 1642373217 HCOJHDSJIPCRON-FZMZJTMJSA-N 341.385 0.055 10 10 ECCE C[C@H](O)c1ccc(N2C[C@H](O)[C@@H](O)[C@H]2CO)c(Br)c1 2136282597 BXHJQQPTNZDUDG-GZFGJDTESA-N 332.194 0.405 10 10 ECCE C[C@@H](O)c1ccc(N2CC3(C2)OC[C@@H](O)[C@@H]3O)c(Br)c1 2183638054 FHUKYMHJSBBSBP-WQHBLYJGSA-N 344.205 0.813 10 10 ECCE NC(=O)c1nc(CNCc2ccc(Br)cc2O)no1 2270343023 ZASULDMWIGPEDX-UHFFFAOYSA-N 327.138 0.926 10 10 ECCE C[C@H](Cc1ccc(O)c(O)c1)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 170245296 YTLNEWCNVQXEFW-ZYHUDNBSSA-N 327.402 0.922 10 10 ECCE Cc1cc(O)c(CN2CCN(CC(=O)N3CCOCC3)CC2)cc1C 22795792 LUTMWUGYYZYBTH-UHFFFAOYSA-N 347.459 0.985 10 10 ECCE CC(=O)C(=O)COC(=O)[C@@H](Cc1ccc(F)cc1)n1nnnc1C 808517282 WEDPWJJYGFMHOF-CYBMUJFWSA-N 334.307 0.606 10 10 ECCE COC[C@@](C)(O)CNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 854301221 LIACSQLENWYJHD-DYVFJYSZSA-N 337.420 0.971 10 10 ECCE CN(C)c1ccc(/C=C\CNC[C@]23COCCN2C(=O)COC3)cc1 865795355 GTHQXONZZQJZFP-ZRHASKPBSA-N 345.443 0.983 10 10 ECCE COCCC(=O)N1CCC(NC(=O)c2c(F)ccc(O)c2O)CC1 1638472735 IGOJPHZEDXKRIG-UHFFFAOYSA-N 340.351 0.994 10 10 ECCE 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CN1CCN(c2ccc(CN3CCOC4(CNC4)C3)cc2F)CC1 1118584113 QNSBZYQYKNKFPB-UHFFFAOYSA-N 334.439 0.752 10 10 ECCE O=C(c1cccc(O)c1O)N1CCO[C@]2(CCS(=O)(=O)C2)C1 1118214030 IMKYQHWMBPXPFP-CQSZACIVSA-N 327.358 0.128 10 10 ECCE O=C(Cc1ccc(O)c(O)c1)N(CCC(F)(F)F)C[C@H](O)CO 1466164162 FCOZLKWZDGQGMP-JTQLQIEISA-N 337.294 0.775 10 10 ECCE CS(=O)(=O)CC1(NC(=O)/C=C\c2ccc(O)c(O)c2)COC1 1627794891 BEJFYXYJAYOUAL-HYXAFXHYSA-N 327.358 0.041 10 10 ECCE COC(=O)[C@@H]1CS(=O)(=O)CCN1Cc1ccc(N(C)C)c(C)c1 1655001730 VQWJLYFLOITRLS-HNNXBMFYSA-N 340.445 0.833 10 10 ECCE NC(=O)[C@H]1C[C@H](NC(=O)C(F)(F)F)CN(c2ccc(N)cc2)C1 1999551209 MZDJWPRIEXVYRK-WPRPVWTQSA-N 330.310 0.628 10 10 ECCE COC1(CO)CN(c2cc3c(cc2Br)[C@H](N)C(=O)N3)C1 2157305070 XNFZHOPDEUIGSN-NSHDSACASA-N 342.193 0.599 10 10 ECCE Cc1cc(O)n2ncc(C(=O)NCCN3CCN(C)C(C)(C)C3)c2n1 2063199378 VHKLDCBKXGQTAJ-UHFFFAOYSA-N 346.435 0.499 10 10 ECCE CC(C)(C)OC(=O)NC1CC([C@H](F)COc2nnc(=N)[nH]n2)C1 2210651640 LJBXGDLDPZOGHA-AMDVSUOASA-N 328.348 0.699 10 10 ECCE 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343.355 0.054 10 10 ECCE COC(=O)[C@H]1C[C@H](O)CN1Cc1ccc([N+](=O)[O-])c(OC)c1O 278335347 HEGPRBUFBMHUPV-GXSJLCMTSA-N 326.305 0.417 10 10 ECCE CNC(=O)[C@H]1CCN(C(=O)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)C1 817833905 RKCDBCPMEPUKPQ-OCCSQVGLSA-N 346.431 0.524 10 10 ECCE C[C@H](CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)NC(N)=O 847363578 ZWQNEZFLQMMNKY-LLVKDONJSA-N 338.383 0.725 10 10 ECCE COc1ccc(N2CC[C@@H](NC(=O)[C@@H]3CCS(=O)(=O)C3)C2)cc1 855229441 MZVWLPALFGZASL-CHWSQXEVSA-N 338.429 0.825 10 10 ECCE CN(C)c1ccc(CNC(=O)CN(C)C2CS(=O)(=O)C2)cc1 931239174 COWBCUFEIJFJMF-UHFFFAOYSA-N 325.434 0.098 10 10 ECCE C[C@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)N[C@H]1CCCNC1=O 1266994688 ABYMUCPWZXNRSN-MFKMUULPSA-N 346.391 0.836 10 10 ECCE CCOCCOCCNC(=O)c1cc(NS(C)(=O)=O)ccc1O 1456164370 HGVUJPMRFJTFJP-UHFFFAOYSA-N 346.405 0.547 10 10 ECCE Cc1ccc(C(=O)NC2CCN([C@H]3CCOC3=O)CC2)c(O)c1O 1295431367 ZTFWSPWSWBZBGU-ZDUSSCGKSA-N 334.372 0.916 10 10 ECCE C[C@@H](O)c1ccc(N2CC[C@](O)(CO)[C@@H](O)C2)cc1Br 2234093114 QSTBMTGNBCNTFR-IIMNLJJBSA-N 346.221 0.797 10 10 ECCE Cc1cc(CCNC(=O)C(=O)NCc2ccc(N(C)C)cc2)nn1C 929238246 WMEMBYGZJSHUJU-UHFFFAOYSA-N 343.431 0.770 10 10 ECCE CC[S@](=O)CCNC(=O)C(=O)NCc1ccc(N(C)C)cc1 785423245 UJAWGTJBOYMMJZ-QFIPXVFZSA-N 325.434 0.254 10 10 ECCE COc1ccc(CNC(=O)[C@@H]2C[C@H](O)CN2c2ccncn2)c(O)c1 1139032940 UJSOXNNAADKNPK-JSGCOSHPSA-N 344.371 0.447 10 10 ECCE COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)N[C@@H](C)c1ccccc1O 1234037553 UEIPNDFPBOELLV-DCAQKATOSA-N 337.376 0.819 10 10 ECCE CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cn(C)c(O)n1 1347750484 IHTJERFUWSGZGO-JTQLQIEISA-N 349.343 0.441 10 10 ECCE COc1ccc(CNCCN(CCO)C(=O)c2cn[nH]c2)cc1C 1279666955 MSSOVYKTMRUQGF-UHFFFAOYSA-N 332.404 0.951 10 10 ECCE COC(=O)[C@@H]1C[C@H](C(=O)OC)CCN1C(=O)c1cccc(O)c1O 1566738139 YJWLPYDIHYDEFE-KOLCDFICSA-N 337.328 0.665 10 10 ECCE C[C@@H](O)CCNC(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 1685327617 IIAXIXQPSPQCHC-CYBMUJFWSA-N 348.447 0.958 10 10 ECCE CNC(=O)CN(CC(=O)NC)c1ccc(CO)cc1Br 720535582 IHIVPVSCUUPUFT-UHFFFAOYSA-N 344.209 0.240 10 10 ECCE COC(=O)[C@H]1C[C@@H](O)CN1Cc1ccc([N+](=O)[O-])c(OC)c1O 278335356 HEGPRBUFBMHUPV-MWLCHTKSSA-N 326.305 0.417 10 10 ECCE CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N(C)CC1(CO)CC1 297855746 OAHYZIHBIAPTIV-UHFFFAOYSA-N 333.432 0.942 10 10 ECCE O=C(CO)NCCC(=O)NCc1cc(Br)ccc1O 908171477 YTODCIOWDSBMLI-UHFFFAOYSA-N 331.166 0.270 10 10 ECCE COc1ccc(N2CC[C@@H](NC(=O)COCc3nncn3C)C2)cc1 855227030 SUNLWBCBWKLNPK-CYBMUJFWSA-N 345.403 0.735 10 10 ECCE O=C(NCc1ccc(N2CC=CC2)cc1)N1CCC(CO)(CO)C1 853777065 YPBLZJNFFMGVDL-UHFFFAOYSA-N 331.416 0.949 10 10 ECCE COCCN(CCF)C(=O)c1cc(NS(C)(=O)=O)ccc1O 855593777 XENIFDYLOQSOPK-UHFFFAOYSA-N 334.369 0.822 10 10 ECCE CC(C)(C)OC(=O)N[C@H](CO)CNC(=O)Cc1ccc(O)c(O)c1 1963833022 NVQQMQAKJBRCMC-NSHDSACASA-N 340.376 0.642 10 10 ECCE CNC1CCN(C(=O)C(=O)NCc2ccc(N(C)C)c(F)c2)CC1 1328747729 WXXBIPJTLGMSME-UHFFFAOYSA-N 336.411 0.718 10 10 ECCE O=C(C(=O)N1C[C@@H]2[C@@H](C1)[C@H]1CC[C@H]2CN1)N1Cc2cccc(O)c2C1 1332115624 HEUQYYMJRXUCHW-DDUYRFODSA-N 341.411 0.691 10 10 ECCE COc1ccc(N2CCN(C(=O)/C=C\C(=O)N(C)C)CC2)c(OC)c1 1454464033 BSRPNKDPSNTFFO-FPLPWBNLSA-N 347.415 0.997 10 10 ECCE CS(=O)(=O)N[C@@H]1CCC[C@@H]1CNC(=O)Cc1ccc(O)c(O)c1 1545777319 XMUQPZZIFZVYII-VXGBXAGGSA-N 342.417 0.474 10 10 ECCE CCOc1ccc(N2CCN(C(=O)Cn3c(O)nnc3O)CC2)cc1 1623430103 VDURNTSUGALASS-UHFFFAOYSA-N 347.375 0.437 10 10 ECCE O=C(NCc1cccc(O)c1O)c1nc2ncc(CCO)cn2n1 1593745077 XCXHABSJCBWVSK-UHFFFAOYSA-N 329.316 0.000 10 10 ECCE Cc1ccc(CNC(=O)[C@]2(N)C[C@@H](O)C2)c(O)c1Br 2352943391 SNLPMBNCGSSKOW-SWZMTVOYSA-N 329.194 0.932 10 10 ECCE COc1ccc(O)c(CN2C[C@H]3[C@H](OC)CS(=O)(=O)[C@H]3C2)c1 827389810 RPLZUVYQODNVEZ-CFVMTHIKSA-N 327.402 0.645 10 10 ECCE CCOC(=O)CC(C)(C)CC(=O)C(=O)CN1CCC(=O)NC1=O 1157101616 BTSZGUVANLHASY-UHFFFAOYSA-N 326.349 0.436 10 10 ECCE COc1ccc(CNC[C@@H](O)CNC(=O)c2ccc(C)nn2)cc1C 1268304701 NUJWYWHUDBBVNW-OAHLLOKOSA-N 344.415 0.983 10 10 ECCE CNS(=O)(=O)C[C@H]1CCCN1C(=O)Cc1ccc(O)c(O)c1 1544959260 QHAUYBMFPAIEFN-LLVKDONJSA-N 328.390 0.181 10 10 ECCE COc1ccc(CNC[C@H](O)CNC(=O)C[C@@H]2CCN(C)C2)cc1C 1732660890 MJKUVNFJIFUTAJ-IRXDYDNUSA-N 349.475 0.912 10 10 ECCE COc1ccc(CNC[C@@H](O)CNC(=O)[C@@H]2CCCNC2=O)cc1C 1667838183 ZHGJEYOUMUKIRC-HUUCEWRRSA-N 349.431 0.097 10 10 ECCE Cc1cc(O)n2ncc(C(=O)N3CCN(C[C@@H](C)O)C[C@H]3C)c2n1 2062295496 IGSDLQPSUIPPOQ-VXGBXAGGSA-N 333.392 0.270 10 10 ECCE COc1cccc(N2C(=O)NC(=O)/C(=C\NC[C@H]3CCCO3)C2=O)c1 100369190 WQRSDCWQHLKSMR-PCRWRXJSSA-N 345.355 0.931 10 10 ECCE Cc1cccc(=O)n1C[C@](C)(O)C(=O)NCc1c(O)cccc1O 1304053513 MUOZVQCDXLXNPS-KRWDZBQOSA-N 332.356 0.635 10 10 ECCE C[C@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)NCc1nncn1C 1317287582 CGJGKRRKJAVHIJ-SNVBAGLBSA-N 344.379 0.886 10 10 ECCE COc1ccc(CN[C@H](CO)CNC(=O)c2nc(C)c[nH]2)cc1C 1331805810 VGBFOYCUMILDPQ-AWEZNQCLSA-N 332.404 0.916 10 10 ECCE COc1cccc(CNC(=O)N[C@@H]2CCS(=O)(=O)[C@@H]2C)c1O 1479095801 CTTHNNZWQIINDH-MWLCHTKSSA-N 328.390 0.776 10 10 ECCE Cc1cnc(S(C)(=O)=O)nc1C(=O)NCc1c(O)cccc1O 1472063900 RYOPWCQPYNNZLM-UHFFFAOYSA-N 337.357 0.530 10 10 ECCE CS(=O)(=O)N1CCC(CC(=O)NCc2ccc(O)cc2O)CC1 1626838360 YOEGECVRVBLDCT-UHFFFAOYSA-N 342.417 0.776 10 10 ECCE COc1ccc(CNC[C@H](O)CNC(=O)CN2CCCC2=O)cc1C 1715579333 ZZNNIUYTHDASBP-HNNXBMFYSA-N 349.431 0.193 10 10 ECCE COc1cccc(CNC(=O)[C@@H]2C[C@@H](O)CN2c2ccncn2)c1O 1566373880 KMJAJURDPXXLOX-OLZOCXBDSA-N 344.371 0.447 10 10 ECCE CCOC(=O)CC(C)(C)CC(=O)C(=O)C1(CS(C)(=O)=O)COC1 1636063802 ZBKVICFVDPLSJZ-UHFFFAOYSA-N 348.417 0.555 10 10 ECCE CNCc1ccc(N2CCC[C@@](O)(C(N)=O)C2)cc1Br 312268465 ICATZFIFPVWBLD-AWEZNQCLSA-N 342.237 0.985 10 10 ECCE CNCc1ccc(N2C[C@@H]3C(=O)NC(=O)[C@H]3C2)c(Br)c1 386864215 WSISSBIINJGOJR-UWVGGRQHSA-N 338.205 0.877 10 10 ECCE CC[C@@]1(COc2nnc(=N)[nH]n2)COCCN1C(=O)OC(C)(C)C 2213780531 HASCSKIGEJIRDG-AWEZNQCLSA-N 340.384 0.474 10 10 ECCE CNCc1ccc(N2CC[C@@](O)(CO)[C@@H](O)C2)cc1Br 2234096426 KIAUUACCTSMMJN-UONOGXRCSA-N 345.237 0.463 10 10 ECCE CC(C)(C)OC(=O)NC(CO)(CO)C(=O)N1CCC[C@H]1CN=[N+]=[N-] 2303921611 NAZQUPVJXWEDCP-JTQLQIEISA-N 343.384 0.536 10 10 ECCE CC(C)(C)OC(=O)NC(CO)(CO)C(=O)NCC1(CN=[N+]=[N-])CC1 2303922526 XQXNNVWCJVQZGW-UHFFFAOYSA-N 343.384 0.441 10 10 ECCE O=C(CC1(n2cnnn2)CCOCC1)NCc1ccc(O)c(O)c1 830559656 RKLDNLBBMSVINT-UHFFFAOYSA-N 333.348 0.297 10 10 ECCE CCOC(=O)c1cnn2c(O)cc(COC(=O)[C@@H]3[C@H]4COC[C@H]43)nc12 850260105 KNTRYAUMVFNHJZ-PJXYFTJBSA-N 347.327 0.547 10 10 ECCE O=C1COc2cc([N+](=O)[O-])c(N3CCN4C(=O)CC[C@@H]4C3)cc2N1 765655406 KQTHLALSZLRAEL-SECBINFHSA-N 332.316 0.737 10 10 ECCE C[C@H](C(=O)NC(C)(C)C)N(C)C(=O)C(=O)N1Cc2cccc(O)c2C1 1118952010 GPGORFWWIPACCN-LLVKDONJSA-N 347.415 0.996 10 10 ECCE CCN1CC[C@H]1CNC(=O)C(=O)NCc1ccc(N(C)C)c(F)c1 897579692 FATACMYRFIYYCF-ZDUSSCGKSA-N 336.411 0.718 10 10 ECCE C[C@H](NC(=O)[C@@H]1CCCN(S(N)(=O)=O)C1)c1ccccc1O 1302538458 RRWGAGUQEHRAAP-WDEREUQCSA-N 327.406 0.485 10 10 ECCE O=C1CN(Cc2cc(Br)ccc2O)[C@@H](C(=O)O)CN1 1963614748 NOHXCSSJEAQQOJ-SECBINFHSA-N 329.150 0.540 10 10 ECCE COc1ccc(CNC[C@@H](O)CNC(=O)C[C@@H]2CCC(=O)N2)cc1C 1320286635 NECJXMLQXWVDKZ-LSDHHAIUSA-N 349.431 0.239 10 10 ECCE CS(=O)(=O)NC1CCN(C(=O)Cc2ccc(O)c(O)c2)CC1 1290636795 XJHLYPUJQDEGMZ-UHFFFAOYSA-N 328.390 0.181 10 10 ECCE COc1ccc(CNC(=O)[C@@]2(OC)CCS(=O)(=O)C2)c(O)c1 1639459235 VPEIOKFLISTPCY-CQSZACIVSA-N 329.374 0.221 10 10 ECCE Cc1ccc(C(=O)NCc2cc(O)ccc2O)cc1S(N)(=O)=O 1637122188 ARZAQDORVYUQSV-UHFFFAOYSA-N 336.369 0.984 10 10 ECCE COC(=O)[C@@H]1CN(C(=O)Cc2ccc(O)c(O)c2)C[C@@H]1C(=O)OC 1640537722 MFSMBEAAMLPJOH-PHIMTYICSA-N 337.328 0.061 10 10 ECCE O=C(c1nnc(O)nc1O)N(Cc1ccccc1O)C[C@@H]1CCCO1 1597089689 HXLJUKZQFSODNF-NSHDSACASA-N 346.343 0.810 10 10 ECCE Nc1ccc(-n2nnc(C(=O)NCc3ccc4c(c3)OCO4)n2)cc1 1857878746 LAIHTQPQWZEYPF-UHFFFAOYSA-N 338.327 0.903 10 10 ECCE CC(C)(C)OC(=O)N[C@H](CO)CNC(=O)c1cc(O)c(O)c(O)c1 2015075700 VOXQOWHUANTTMH-VIFPVBQESA-N 342.348 0.419 10 10 ECCE CN[C@@H]1C(=O)Nc2cc(N(C)C(CO)CO)c(Br)cc21 380791981 VHPUTYWRSPXMQT-LBPRGKRZSA-N 344.209 0.451 10 10 ECCE Cc1cc(O)n2ncc(C(=O)N3CCOC4(CCN(C)CC4)C3)c2n1 2062263064 QLVIYTONDUWAAI-UHFFFAOYSA-N 345.403 0.680 10 10 ECCE O=C(NCCn1ncc(Br)n1)c1cc(O)c(O)c(O)c1 2188923844 ODKMTXSDXDEULL-UHFFFAOYSA-N 343.137 0.587 10 10 ECCE CC(C)(C)OC(=O)N1C[C@H](COc2nnc(=N)[nH]n2)OCC1(C)C 2213788980 CWTHAVKODZRXTH-SECBINFHSA-N 340.384 0.472 10 10 ECCE COc1cccc(N2C(=O)NC(=O)C(=CNCCN(C)C)C2=O)c1 2297509679 YSRUIOABSVOGHN-UHFFFAOYSA-N 332.360 0.313 10 10 ECCE C[C@@H](C(=O)Nc1ccc(N)cc1)S(=O)(=O)CCS(C)(=O)=O 111005320 PENOUYZXVXQGCT-VIFPVBQESA-N 334.419 0.055 10 10 ECCE CC(C)C[C@]1(C(=O)O)N[C@H](c2ccc(O)c(O)c2)[C@@H]2C(=O)NC(=O)[C@H]21 248202261 WWGKLDZBGPSZSJ-ZHRONYKTSA-N 348.355 0.500 10 10 ECCE Nc1ccc(OCCOn2c(=O)c(=O)oc3cc(O)ccc32)cc1 821296886 LFLPFDBBIKDRCR-UHFFFAOYSA-N 330.296 0.750 10 10 ECCE COc1ccc(N2CC[C@@H](NC(=O)NCC[S@@](C)=O)C2)cc1 852118523 ZLLYBXVOFBDPBU-VERVWZFWSA-N 325.434 0.952 10 10 ECCE COc1ccc(N(C)CCN(C)CCN2C(=O)CN(C)C2=O)cc1 852211381 JIKGWLFQSZQCAP-UHFFFAOYSA-N 334.420 0.957 10 10 ECCE COc1ccc(N2CC[C@H](NS(=O)(=O)c3nncn3C)C2)cc1 867496375 BSFLXZFWOKASJG-NSHDSACASA-N 337.405 0.381 10 10 ECCE O=C(CS[C@@H]1CCS(=O)(=O)C1)NCc1cc(O)ccc1O 1176748293 NRUGOXSYPWWKCH-LLVKDONJSA-N 331.415 0.634 10 10 ECCE C[C@H](NC(=O)NCC1(S(N)(=O)=O)CC1)c1ccc(N(C)C)cc1 1478470602 HOYLXTLQJOQQFK-NSHDSACASA-N 340.449 0.934 10 10 ECCE COCC(=O)N[C@H](C)[C@H](C)NCc1nnnn1-c1ccc(OC)cc1 1485112780 SVKZFDRGVACUBC-NWDGAFQWSA-N 348.407 0.300 10 10 ECCE COc1ccc(N2CCCN(C(=O)Cn3nnc(N)n3)CC2)cc1 1625248642 KHJKPNFETVISSZ-UHFFFAOYSA-N 331.380 0.003 10 10 ECCE COc1cc(C(=O)NC[C@@H](O)CNCc2ccc(OC)c(C)c2)on1 1496968062 IBTGGSCYILGMGT-ZDUSSCGKSA-N 349.387 0.881 10 10 ECCE COc1cc(C(=O)NCc2cccc(O)c2O)ccc1OCC(N)=O 1633506808 ACPFDMOXYQNAFJ-UHFFFAOYSA-N 346.339 0.901 10 10 ECCE CNS(=O)(=O)c1cc(C(=O)NCc2cc(O)ccc2O)co1 1593873755 ZOKKOVYIPWGBDF-UHFFFAOYSA-N 326.330 0.529 10 10 ECCE CN(C)c1ccc([C@H](NC(=O)COCC(=O)O)c2nccn2C)cc1 1866081699 XEBOKZHAFCCOOT-INIZCTEOSA-N 346.387 0.793 10 10 ECCE CCNCc1ccc(N2CC[C@@](O)(C(N)=O)C2)c(Br)c1 380077327 INEHOSBCPSJMCE-AWEZNQCLSA-N 342.237 0.985 10 10 ECCE CC(C)CN1C(=O)C(=CNCCCn2ccnc2)C(=O)NC1=S 2295113207 LMTQNHBXFCDQLQ-UHFFFAOYSA-N 335.433 0.646 10 10 ECCE Cn1cc(C(N)=O)cc1C(=O)NCc1ccc(N2CCOCC2)cc1 125802685 GCWZEMBDJKMTJP-UHFFFAOYSA-N 342.399 0.891 10 10 ECCE C[C@H](NC(=O)C1=NO[C@@H](CN)C1)c1ccc(N2CCOCC2)cc1 852862464 FTGXVCZORPZVSV-SWLSCSKDSA-N 332.404 0.804 10 10 ECCE CN1CCN(CC(=O)NCc2ccc3cccnc3c2O)CC1=O 862026891 BSYDVLZAWYPYGH-UHFFFAOYSA-N 328.372 0.331 10 10 ECCE O=C(c1ccc(O)nc1)N1CCN(C(=O)c2cccc(O)c2O)CC1 776642189 BCZFPSGCGVGOMX-UHFFFAOYSA-N 343.339 0.797 10 10 ECCE COc1ccc(CNC[C@H](O)CNC(=O)[C@H]2CCC(=O)N2C)cc1C 1320262366 HCTZEDUAJPPORT-LSDHHAIUSA-N 349.431 0.191 10 10 ECCE CN1CCN(c2ccc(CNC(=O)C(=O)N3CC(C)(F)C3)cc2)CC1 1333945659 WCXLZUHQPWYZPO-UHFFFAOYSA-N 348.422 0.625 10 10 ECCE CN(C)c1ccc(CNC(=O)CN[C@@H](CO)[C@H]2CCCOC2)cc1 1195137436 SUZDFALOTZTHHX-RDJZCZTQSA-N 335.448 0.746 10 10 ECCE COc1ccc(CNC[C@@H](O)CN(C)C(=O)c2cnn(C)n2)cc1C 1486305867 OKRBJIQGEOXIGF-CQSZACIVSA-N 347.419 0.355 10 10 ECCE 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327.138 0.882 10 10 ECCE COCCOC1(CNC(=O)Cc2ccc(O)c(O)c2)CCOCC1 1556663737 SVMVZANHAMMYIB-UHFFFAOYSA-N 339.388 0.969 10 10 ECCE O=C1CN(c2ccnc(C(=O)NCc3ccc(O)cc3O)c2)CCN1 1570462243 LAPJQLSUBPYHMZ-UHFFFAOYSA-N 342.355 0.359 10 10 ECCE O=C(NC[C@]1(O)CCN(Cc2ccccc2)C1)c1cc(O)nc(O)c1 702603484 BAZJRCJRSRZZJF-GOSISDBHSA-N 343.383 0.860 10 10 ECCE CNCc1ccc(N2CC3(C2)OC[C@@H](O)[C@H]3O)cc1Br 2183638880 RBLIOTAWSDUTPM-CHWSQXEVSA-N 343.221 0.479 10 10 ECCE O=S(=O)(C1CC2(C1)OCCO2)N1CCc2cc(O)c(O)cc2C1 2366924347 CHLGDCDUQWQMHD-UHFFFAOYSA-N 341.385 0.691 10 10 ECCE CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)NCc2c(O)cccc2F)O1 921795810 BXQUOIGNMHPQSW-YGRLFVJLSA-N 339.367 0.966 10 10 ECCE O=C(COC(=O)c1cccc(O)c1O)NC1CCN(C2CC2)CC1 758561550 PPDRXMSWURQKNH-UHFFFAOYSA-N 334.372 0.998 10 10 ECCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc(-n2cnnn2)cn1 1138152960 UKVGRWXYYWQRJV-SNVBAGLBSA-N 340.343 0.830 10 10 ECCE COc1ccc(CNCC[C@@H](C)NC(=O)[C@H]2CNC(=O)N2)cc1C 1272985187 LIJJKRZPGIBQLN-TZMCWYRMSA-N 334.420 0.669 10 10 ECCE 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0.415 10 10 ECCE NC(=O)CN(Cc1ccccc1)C[C@@H](O)COc1ccc(N)cc1 1946832656 JUMMKFGTUAOSEJ-MRXNPFEDSA-N 329.400 0.996 10 10 ECCE NC(=O)NC1CN(c2cc3c(cc2Br)[C@H](O)C(=O)N3)C1 2163218042 BCCCABOLMOPMNZ-JTQLQIEISA-N 341.165 0.292 10 10 ECCE CN(C)c1ccc(CNC(=O)C(=O)NCCO[C@@H]2CC2(F)F)cc1 826707767 XOMFLUZTROWEKC-CYBMUJFWSA-N 341.358 0.909 10 10 ECCE CO[C@@H]1C=C[C@@](CNC(=O)c2ccc(-n3ccnc3)nn2)(OC)O1 585231003 CNQHGMYYSGYDQS-DZGCQCFKSA-N 331.332 0.294 10 10 ECCE O=C(NCCCN1CCCS1(=O)=O)NCc1c(O)cccc1F 916080027 YMUAQGODZZKGFW-UHFFFAOYSA-N 345.396 0.756 10 10 ECCE COc1ccc(N2CC[C@@H](NC(=O)N3CC(=O)N[C@H](C)C3)C2)cc1 854296708 GJRLGYLDKXTSGF-CHWSQXEVSA-N 332.404 0.804 10 10 ECCE COc1ccc(N2CC[C@@H](NC(=O)N[C@H]3CC(=O)N(C)C3)C2)cc1 852188919 QWIGCMIKJYUPRI-OLZOCXBDSA-N 332.404 0.804 10 10 ECCE COC(=O)[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)c1ccn(C)n1 787806201 BORLHBZNDRDRIT-CSPWOOARSA-N 331.328 0.875 10 10 ECCE COc1ccc(CN[C@H](CO)CNC(=O)c2cnnc(O)c2)cc1C 1725533516 RLENXUSPFBVWND-AWEZNQCLSA-N 346.387 0.380 10 10 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Cc1ccc(C(=O)N2CC3(CC(=O)Nc4nccn43)C2)c(O)c1O 1648331137 AEDVWHLCOAZKJD-UHFFFAOYSA-N 328.328 0.796 10 10 ECCE CN(C)c1ccc(CNCCC(=O)NCCN2CCOCC2)cc1 1857858931 NXNFVUYGIZCBJT-UHFFFAOYSA-N 334.464 0.681 10 10 ECCE COC[C@@H]1[C@H](O)[C@@H](O)CN1c1ccc(CN)cc1Br 2225700193 JAYXFISCMCEYOI-AGIUHOORSA-N 331.210 0.465 10 10 ECCE COc1ccc(N2C(=O)NC(=O)C(=CN=c3cc(C)o[nH]3)C2=O)cc1 2296553713 JLXNSXDMVDEETD-UHFFFAOYSA-N 342.311 0.992 10 10 ECCE O=C(C=Cc1ccc(O)c(O)c1)O[C@@H]1CC(C(=O)O)=C[C@H](O)[C@H]1O 2333320735 QMPHZIPNNJOWQI-GZBFAFLISA-N 336.296 0.159 10 10 ECCE COc1ccc(N2CCN(C(=O)CNC(=O)[C@@H](N)C(C)C)CC2)cc1 327105827 FLBCPBOQRXXOLB-KRWDZBQOSA-N 348.447 0.443 10 10 ECCE CN(Cc1ccc(N(C)C)cc1)C(=O)CN1CC[C@]2(CNC(=O)C2)C1 278802316 FWTHYEZITCMVQP-IBGZPJMESA-N 344.459 0.923 10 10 ECCE CN(C)c1ccc(CNC(=O)NC[C@H](O)CS(C)(=O)=O)cc1F 915366433 OQBMMOHZRVLYRQ-NSHDSACASA-N 347.412 0.096 10 10 ECCE CN(C)[C@H]1C[C@@H](CNC(=O)c2cc(NS(C)(=O)=O)ccc2O)C1 848293362 IIXRFRRTCMBICU-KLPPZKSPSA-N 341.433 0.834 10 10 ECCE 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0.828 10 10 ECCE COC(=O)C1CCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)CC1 1335542377 MFMCPETZCRNGMC-UHFFFAOYSA-N 332.356 0.646 10 10 ECCE COc1cc(C(=O)N[C@@H](C)CNC(=O)c2cnon2)cc(OC)n1 1526909760 KZHCYDNSIRMYQV-QMMMGPOBSA-N 335.320 0.030 10 10 ECCE COc1cc(C(=O)N[C@H](C)CNC(=O)c2nc(C)c[nH]2)cc(OC)n1 1526622925 AADKXPWUSIBLEJ-SNVBAGLBSA-N 347.375 0.679 10 10 ECCE COc1ccc(CNC[C@H](O)CNC(=O)CN2CC[C@@H](C)C2)cc1C 1482766644 IPODIPWBRSOQQP-PBHICJAKSA-N 349.475 0.912 10 10 ECCE CC(C)(C)OC(=O)NCC1(O)CN(C(=O)c2cc(O)nc(O)c2)C1 2013641017 QTNVJQIVBFOXPQ-UHFFFAOYSA-N 339.348 0.204 10 10 ECCE O=C(O)[C@@]1(O)CCN(Cc2c(O)cccc2Br)C[C@@H]1O 2197461526 MUSHYDLZNZTWSR-WCQYABFASA-N 346.177 0.537 10 10 ECCE N[C@H]1C(=O)Nc2cc(N3C[C@@H](O)C[C@H]3CO)c(Br)cc21 2360314912 ZXFDNYOINFRZJR-DJOAAKCGSA-N 342.193 0.333 10 10 ECCE CNC(=O)CCN(C)c1cc2c(cc1Br)[C@H](N)C(=O)N2 723200809 ZJAUTVOIMWHJEG-LBPRGKRZSA-N 341.209 0.973 10 10 ECCE COc1ccc(N(C)CCN(C)C(=O)[C@H](O)Cc2cnn(C)c2)cc1 846441633 BFLALKGQVJSLPQ-QGZVFWFLSA-N 346.431 0.927 10 10 ECCE COc1ccc(N2CC[C@H](NC(=O)C(=O)Nc3ncn(C)n3)C2)cc1 850537404 QDNRQGRLDCHGIA-NSHDSACASA-N 344.375 0.157 10 10 ECCE CCONC(=O)CNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 852399681 PXNRCSGCHSRRPZ-LBPRGKRZSA-N 336.392 0.641 10 10 ECCE COCc1n[nH]c(CNCc2ccc(N3CCN(C)CC3)cc2)n1 850360304 GNVQXIOCNRRKJL-UHFFFAOYSA-N 330.436 0.993 10 10 ECCE CCN(CC)c1ccc(CNS(=O)(=O)C[C@H]2CNCCO2)cc1 866745330 DVGMDUZRFMMARB-MRXNPFEDSA-N 341.477 0.941 10 10 ECCE CCC(=O)NC[C@@H](O)CN(C)C(=O)c1ccc(N=NC(N)=O)cc1 1338527575 MVNLALWUNOCAQG-GFCCVEGCSA-N 335.364 0.808 10 10 ECCE O=C(CNC(=O)CNC(=O)c1cc(O)cs1)NCc1ccccc1 1471762769 IGBXFDZQQLROJM-UHFFFAOYSA-N 347.396 0.616 10 10 ECCE COC[C@H](O)CN(C)CCNC(=O)c1ccc(N=NC(N)=O)cc1 1691002403 DZJAYHYDTIPESF-CYBMUJFWSA-N 337.380 0.518 10 10 ECCE [N-]=[N+]=N[C@H]1[C@H](Oc2ccc([N+](=O)[O-])cc2F)O[C@H](CO)[C@@H](O)[C@@H]1O 2037804328 VGSOOKDSKZDDNJ-LZQZFOIKSA-N 344.255 0.231 10 10 ECCE C[C@H](N)c1ccc(N2CCNC(=O)[C@H]2C(N)=O)cc1Br 2184141851 URVXCOGLKTVKHO-WRWORJQWSA-N 341.209 0.259 10 10 ECCE CN(C)S(=O)(=O)[C@H]1CCCN(Cc2cc3c(cc2O)OCO3)C1 284934725 ABCDVQBCCBMCJZ-LBPRGKRZSA-N 342.417 0.977 10 10 ECCE CN1CC[C@@H](C(=O)NCCCSc2nccs2)S1(=O)=O 843795942 GTHBGGPDTBFZLJ-VIFPVBQESA-N 335.476 0.775 10 10 ECCE C[C@@H](NC(=O)C(=O)N1CC2CC1(CN)C2)c1ccc(N(C)C)cc1 851686425 NYZWQQYWFNCKIW-WHENESEISA-N 330.432 0.880 10 10 ECCE COc1ccc(O)c(CNC(=O)/C=C\c2cn(C)c(=O)n(C)c2=O)c1 769542657 JZTMJBTWMXEZRS-DAXSKMNVSA-N 345.355 0.128 10 10 ECCE CN(CCNCCn1cncn1)C(=O)c1ccc(N=NC(N)=O)cc1 1267126059 DZQPPXWMRWDZGT-UHFFFAOYSA-N 344.379 0.802 10 10 ECCE CCOC(=O)c1cnn2c(O)cc(CN3C[C@H]4CCN(C)[C@H]4C3)nc12 1460127093 DVBZQDMOYOPKQQ-RISCZKNCSA-N 345.403 0.748 10 10 ECCE C[C@@H](C(=O)NCc1ccc(O)cc1O)N1C(=O)NC2(CCCC2)C1=O 1638351857 GANLDVJCBFIRBM-JTQLQIEISA-N 347.371 0.967 10 10 ECCE CCC(=O)NC/C=C\CNCc1nnnn1-c1ccc(OC)cc1 1568803530 ATKFUDFDTMUMBL-PLNGDYQASA-N 330.392 0.843 10 10 ECCE Cc1cc(C(=O)NCc2cc(O)ccc2O)ccc1S(N)(=O)=O 1644753570 DWHVEDKXWIFGTJ-UHFFFAOYSA-N 336.369 0.984 10 10 ECCE Cc1cc(NS(=O)(=O)[C@H](C)C(=O)O)ccc1NS(C)(=O)=O 49049298 UNAYWFVBJFGGOE-MRVPVSSYSA-N 336.391 0.581 10 10 ECCE C[C@@H](NC(=O)C(=O)N(C)CCCO)c1ccc(N2CCOCC2)cc1 803297948 KUZLBFYIHDOMRY-CQSZACIVSA-N 349.431 0.541 10 10 ECCE C[C@@H]1CCNC[C@H]1NC(=O)C(=O)NCCCSc1nccs1 842091196 CUNAWDYEENNJBR-GHMZBOCLSA-N 342.490 0.856 10 10 ECCE COc1ccc(N2CC[C@H](NC(=O)NC[C@H]3CNCCO3)C2)cc1 851665625 CLQMZSMYEYWGLR-XJKSGUPXSA-N 334.420 0.562 10 10 ECCE COc1ccc(CNC[C@H](O)CNC(=O)[C@H]2CCCC(=O)N2)cc1C 1320239296 VRTHJHOUAMMNPJ-LSDHHAIUSA-N 349.431 0.239 10 10 ECCE CCn1cc(C(=O)NC[C@H](O)CNCc2ccc(OC)c(C)c2)nn1 1268328362 XRPPFYRGHFEYSO-CQSZACIVSA-N 347.419 0.496 10 10 ECCE CCOC[C@H](C)NC(=O)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 1347602688 KZVQJVNDPDGVRZ-KBPBESRZSA-N 349.431 0.931 10 10 ECCE COc1ccc(CNC[C@H](O)CNC(=O)[C@]2(C)CCOC2)cc1C 1715606123 AXLDHOFUAOLOKX-MAUKXSAKSA-N 336.432 0.997 10 10 ECCE COc1ccc(CN[C@@H](C)CNC(=O)[C@H]2CN(C)C(=O)N2)cc1C 1662304508 YFWJXCYMMLMVOB-GXTWGEPZSA-N 334.420 0.622 10 10 ECCE CCS(=O)(=O)N1CCC(C(=O)NCc2cc(O)ccc2O)CC1 1593869267 SNIDKLWZXAMCLX-UHFFFAOYSA-N 342.417 0.776 10 10 ECCE COc1ccc(O)c([C@H](C)NC(=O)NC[C@H]2CC(C(N)=O)=NO2)c1 1672629583 WJPKNFZFHNEKRW-WCBMZHEXSA-N 336.348 0.391 10 10 ECCE COC(=O)c1cn(CCNC(=O)N[C@H](C)c2ccccc2O)nn1 1681076704 PKRFALUWLLGSBW-SNVBAGLBSA-N 333.348 0.831 10 10 ECCE C[C@@H](N)c1ccc(N2CC3(C2)OC[C@@H](O)[C@H]3O)cc1Br 2183626986 MYHGZPGJSZPKKR-BZHVJNSISA-N 343.221 0.780 10 10 ECCE NCc1cc(F)c(N2CC3(C2)OC[C@@H](O)[C@@H]3O)cc1Br 2183625689 BIDVCMMPZPVNJD-NEPJUHHUSA-N 347.184 0.358 10 10 ECCE CC=CC(=O)N1CCN(Cc2nnnn2-c2ccc(OC)cc2)CC1 2297483372 ZGNDQLGQUJNZJS-UHFFFAOYSA-N 342.403 0.891 10 10 ECCE C[C@H]1CN(CC(=O)NCc2ccc(N(C)C)cc2)CCN1CCO 187715135 QBJDOWKKFCSMMS-HNNXBMFYSA-N 334.464 0.367 10 10 ECCE CN1C[C@@H]2CCN(C(=O)c3cc(NS(C)(=O)=O)ccc3O)[C@H]2C1 816951620 SEOJXMHBDCOXMV-GWCFXTLKSA-N 339.417 0.540 10 10 ECCE COc1ccc(N2CC[C@H](NS(=O)(=O)N3CCOCC3)C2)cc1 849415700 FGNWFPPVALXUJE-ZDUSSCGKSA-N 341.433 0.441 10 10 ECCE COc1ccc(N2CCN(Cn3nc(C)n(C)c3=O)CC2)cc1F 844695824 FQZKDQHJIKCMKV-UHFFFAOYSA-N 335.383 0.818 10 10 ECCE O=S1(=O)CC(O)(CNCc2ccc(Br)cc2O)C1 2256074489 DJZSPEJMIUVNHU-UHFFFAOYSA-N 336.207 0.404 10 10 ECCE COC(=O)CCN1CCC[C@H](OC(=O)c2cccc(O)c2O)C1=O 1118397665 UTYGXUQCLWQLIG-LBPRGKRZSA-N 337.328 0.809 10 10 ECCE CS(=O)(=O)C[C@@H]1CN(C(=O)/C=C\c2ccc(O)c(O)c2)CCO1 1179415362 SXAVCNNNFOAGTJ-FHMRSRPSSA-N 341.385 0.383 10 10 ECCE NS(=O)(=O)C1(CNC(=O)/C=C\c2ccc(O)c(O)c2)CCC1 1178008701 DVNDGZHHYUCLGR-HYXAFXHYSA-N 326.374 0.438 10 10 ECCE COc1ccc(CNC[C@H](NC(=O)[C@@H]2CNC(=O)N2)C2CC2)cc1C 1269111809 WSVFOFKQJRUORI-GJZGRUSLSA-N 346.431 0.669 10 10 ECCE CCN(CCN[C@H]1CCNC1=O)C(=O)c1ccc(N=NC(N)=O)cc1 1497505786 NJNXXVXEVCZNBI-ZDUSSCGKSA-N 346.391 0.789 10 10 ECCE O=C(Cn1nc2n(c1=O)CCCCC2)NCc1ccc(O)cc1O 1570462501 VYTZZRSITDBJIB-UHFFFAOYSA-N 332.360 0.499 10 10 ECCE Cc1cc(O)n2ncc(C(=O)NC[C@@H](C)CN3CCN(C)CC3)c2n1 2063180797 BEWAGXDCYMGKJI-GFCCVEGCSA-N 346.435 0.357 10 10 ECCE NCc1ccc(N2C[C@H](O)[C@@H](O)[C@H](CO)C2)c(Br)c1 2273651021 LVWGQAQIHZIVNQ-XDTLVQLUSA-N 331.210 0.058 10 10 ECCE C[C@H](N)c1ccc(N2C[C@H](O)[C@H](O)[C@H](CO)C2)cc1Br 2289401553 GJCVONOFGCRMKG-LBLXLQPISA-N 345.237 0.619 10 10 ECCE COc1ccc(N2CCN(C(=O)[C@H]3C[C@H](OC)CN3)CC2)cc1F 187978707 HAWINPJXTIEDIW-DZGCQCFKSA-N 337.395 0.860 10 10 ECCE CN(C)c1ccc(CNC(=O)C(=O)N2CCO[C@@]3(CCOC3)C2)cc1 283455606 KSLCAQDAFXWZOH-SFHVURJKSA-N 347.415 0.387 10 10 ECCE CN(c1cc2c(cc1Br)[C@@H](O)C(=O)N2)[C@@H]1COC[C@H]1O 708631217 HWFADYLOGITFNO-IJLUTSLNSA-N 343.177 0.631 10 10 ECCE COC(=O)CC[C@H](N)C(=O)N(C)CCN(C)c1ccc(OC)cc1 846697991 ZTSKBEYWGHJRHD-HNNXBMFYSA-N 337.420 0.870 10 10 ECCE O=C1CN(c2ccnc(C(=O)NCc3cccc(O)c3O)c2)CCN1 1176564849 GGGZYLKCIQRZST-UHFFFAOYSA-N 342.355 0.359 10 10 ECCE CNC(=O)CC1CCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)CC1 1261860366 VPHVGWLAAHYGNR-UHFFFAOYSA-N 345.399 0.609 10 10 ECCE CCO[C@@H](C)C(=O)NC[C@H](C)NC(=O)c1cc(OC)nc(OC)c1 1354260054 ZNQPDYFYAIZARU-QWRGUYRKSA-N 339.392 0.758 10 10 ECCE O=C(NCc1ccc2cccnc2c1O)c1cnn(C[C@H](O)CO)c1 1639624560 AGUHAVRGUIBTHZ-AWEZNQCLSA-N 342.355 0.420 10 10 ECCE COc1ccc(CNC[C@H](O)CNC(=O)c2cnnc(C)c2)cc1C 1732641689 NJZBAZTUGZNQIW-INIZCTEOSA-N 344.415 0.983 10 10 ECCE CC1=C(C(=O)NCCc2ccc(O)c(O)c2)S(=O)(=O)CCO1 1595751069 DGKDXJANCAHRKC-UHFFFAOYSA-N 327.358 0.433 10 10 ECCE O=C(CN1C(=O)COc2ccc(N3CCNCC3)cc21)N1CCCC1 31947230 RWJBUBGBEPSENW-UHFFFAOYSA-N 344.415 0.444 10 10 ECCE CC(C)(C)OC(=O)N[C@H](CC(N)=O)C(=O)NCCCCN=[N+]=[N-] 1985104977 NNLPVCXIFNYULL-SECBINFHSA-N 328.373 0.962 10 10 ECCE C[C@@H](N)c1ccc(N2CC[C@@](O)(C(N)=O)C2)cc1Br 389195510 PVVDBLKCHYDJMO-OQPBUACISA-N 328.210 0.895 10 10 ECCE COCCn1cc(S(=O)(=O)Nc2ccc(O)c([N+](=O)[O-])c2)cn1 273545994 UOEJDFVQZWIRRM-UHFFFAOYSA-N 342.333 0.944 10 10 ECCE COCCN(CCN(C)C)C(=O)C(=O)N1Cc2cccc(O)c2C1 1329795707 AKIWLIVCMMVEOZ-UHFFFAOYSA-N 335.404 0.271 10 10 ECCE CCOC(=O)[C@H]1CCCN(CC(=O)NCc2cccc(O)c2O)C1 1347542487 MXJDBUKFERZBBZ-ZDUSSCGKSA-N 336.388 0.989 10 10 ECCE Nc1ncnc2c1ncn2CCC(=O)NCc1ccc(O)cc1O 1299573185 HZXAUJZKUFKWOK-UHFFFAOYSA-N 328.332 0.526 10 10 ECCE COCc1cn(C[C@@H]2OC[C@@H](O)[C@@H]2NCc2ccccc2O)nn1 1615735857 HWAPJMGQUNGYMQ-PMPSAXMXSA-N 334.376 0.048 10 10 ECCE NCc1ccc(N2C[C@H](O)[C@@H](O)[C@H]2CF)c(F)c1Br 2140664257 QOKNQYMMNXEDBH-PTRXPTGYSA-N 337.164 0.927 10 10 ECCE C[C@@H](N)c1ccc(N2C[C@H](O)[C@H](O)[C@@H](CO)C2)cc1Br 2289487382 GJCVONOFGCRMKG-NHPAQXRMSA-N 345.237 0.619 10 10 ECCE CS(=O)(=O)Nc1ccc(O)c(C(=O)N2C[C@@H]3CC[C@@H](N)[C@H]3C2)c1 262402124 VHJVYLOAQKUQBL-TVYUQYBPSA-N 339.417 0.573 10 10 ECCE C[C@H](NC(=O)C(=O)N1CC(CO)C1)c1ccc(N2CCOCC2)cc1 803297923 KEGQFSOPYKZWEH-ZDUSSCGKSA-N 347.415 0.151 10 10 ECCE CC(=O)C(=O)COC(=O)c1cccc(N2CCCS2(=O)=O)c1 808494152 WDIICMREWQXXNH-UHFFFAOYSA-N 325.342 0.541 10 10 ECCE CC(=O)C(=O)COC(=O)[C@@]1(NC(=O)OCc2ccccc2)CCOC1 808534315 KBDXARUTFYBWKK-QGZVFWFLSA-N 349.339 0.773 10 10 ECCE CCOC(=O)c1cnn2c(O)cc(CN3CC[C@@]4(O)C[C@H]4C3)nc12 852539838 WZETUHRGBADATQ-MGPLVRAMSA-N 332.360 0.568 10 10 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