smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features O=C(c1n[nH]c(-n2cnnc2)n1)N1CCC[C@]2(CCc3c[nH]nc32)C1 2356157010 AFCVGGAUPLZKAT-HNNXBMFYSA-N 339.363 0.229 0 50 ECAA Cn1ncc(S(=O)(=O)N2CCC[C@@H](C(=O)O)C2)c1C(F)(F)F 864431141 MIZGEHBGCLNNCN-SSDOTTSWSA-N 341.311 0.924 0 50 ECAA COC(=O)CN1CCN(C(=O)c2ccc3nccnc3c2)CC1=O 20997785 HJKFDNHBUQQTNX-UHFFFAOYSA-N 328.328 0.087 0 50 ECAA O=S(=O)(c1ccc2c(c1)CCC2)N1CC[C@](O)(c2c[nH]nn2)C1 284328875 AHMAWUUQLSIZLW-OAHLLOKOSA-N 334.401 0.576 0 50 ECAA Cc1ccc(N2C(=O)C[C@H](NCCCN3CCOCC3)C2=O)cc1 2434964 YGXHTJFBAQRVKX-INIZCTEOSA-N 331.416 0.939 0 50 ECAA Cn1cc(C(=O)N2CC[C@](O)(c3c[nH]nn3)C2)c(-c2ccccc2)n1 284570914 JCYCVZPROHSMDR-QGZVFWFLSA-N 338.371 0.939 0 50 ECAA CCNC(=O)CN1CCN(Cc2ccc(O)c(C(=O)OC)c2)CC1 72150381 GTTYZVYBRFXUCX-UHFFFAOYSA-N 335.404 0.433 0 50 ECAA C[C@H](C(=O)NCCN1CCN(C)C[C@H]1c1ccccc1)n1cncn1 252463364 CNMRWJZLYDPXJW-WBVHZDCISA-N 342.447 0.944 0 50 ECAA Cn1cc(C(=O)N2CCC[C@@H]2C(=O)NCc2ccco2)ccc1=O 131194736 AXBNJBVPAUQDET-CQSZACIVSA-N 329.356 0.899 0 50 ECAA Cc1ccc(-c2noc(N3CCN4C(=O)C(=O)NC[C@H]4C3)n2)cc1 253419895 LSWUTRHNSYCBCM-LBPRGKRZSA-N 327.344 0.192 0 50 ECAA NC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)NCc1ccccc1 71763827 BTAUVVGSEPQASP-INIZCTEOSA-N 345.424 0.933 0 50 ECAA Cc1cn(CC(=O)N(C)Cc2cnc3ccccc3n2)c(=O)[nH]c1=O 215593950 CQFVPTJYOQFLKQ-UHFFFAOYSA-N 339.355 0.447 0 50 ECAA CN(C)S(=O)(=O)CCCN1CCCN(c2ncccn2)CC1 74291267 FRKNQFHHIWCMPW-UHFFFAOYSA-N 327.454 0.270 0 50 ECAA COc1cccc(C2(C(=O)N3CCO[C@@H](c4nn[nH]n4)C3)CC2)c1 370744007 ZVLRYBLQHOQRNT-CYBMUJFWSA-N 329.360 0.840 0 50 ECAA O=C(CN1CC(=O)N[C@H]2CCCC[C@@H]21)NC(=O)NCc1ccco1 133208174 LECUODRSYMMWPP-STQMWFEESA-N 334.376 0.348 0 50 ECAA COc1ncc(NC(=O)N2C[C@H](C)C[C@@H](C(=O)O)C2)cc1C(N)=O 263202503 XOWSIXPYMVJQJM-RKDXNWHRSA-N 336.348 0.764 0 50 ECAA CC(C(=O)N[C@@H]1CC(=O)N(CCN2CCOCC2)C1)=C1CCCC1 176649561 FZRGOTBSOYLFGZ-MRXNPFEDSA-N 335.448 0.926 0 50 ECAA Cc1cc(CC(=O)N2CCN(c3cc(C)nc4ncnn34)CC2)on1 221404410 RCDLFXGRYQFHQE-UHFFFAOYSA-N 341.375 0.620 0 50 ECAA CC[C@@H](OC)C(=O)NCc1cc2n(n1)CCCN(C(=O)N(C)C)C2 82147567 DZCISBMOOSGMPT-CQSZACIVSA-N 337.424 0.812 0 50 ECAA Cc1nnnn1CC(=O)N[C@@H]1COCC[C@@H]1OCc1ccccc1 222786075 DNPASXCTVVKVAJ-CABCVRRESA-N 331.376 0.472 0 50 ECAA O=C([C@@H]1CCCO1)N1CCn2nc(CNc3ncccn3)cc2C1 426581367 YWRRHAIZTDOFPZ-AWEZNQCLSA-N 328.376 0.806 0 50 ECAA COCc1noc(CCNC(=O)[C@@H](c2ccccc2)n2cnnn2)n1 223107826 PBPAMCRBVRJIHB-CQSZACIVSA-N 343.347 0.151 0 50 ECAA CN1CCCCC[C@@H]1C(=O)NCc1ccc(S(N)(=O)=O)cc1 91445284 YUCLEVKLDLHPBO-CQSZACIVSA-N 325.434 0.825 0 50 ECAA CCCNC(=O)N1CCC(c2nnc(Cn3cncn3)n2C)CC1 91625318 YZRWISDXKNFJSE-UHFFFAOYSA-N 332.412 0.754 0 50 ECAA O=C(CC[C@@H]1NC(=O)NC1=O)NCc1nncn1C1CCCCC1 91779867 CZHBGTJKPMOKRT-NSHDSACASA-N 334.380 0.388 0 50 ECAA COc1ccccc1N1CC[C@@H](NC(=O)N2CCO[C@@H](C(N)=O)C2)C1 268225721 DKIDBYNLYUVGEE-IUODEOHRSA-N 348.403 0.170 0 50 ECAA Cn1c(C(N)=O)cc2c1CN(C(=O)[C@H]1CC(=O)N(C(C)(C)C)C1)CC2 91849320 AVBNXBSEGLVGBM-LBPRGKRZSA-N 346.431 0.656 0 50 ECAA O=C(Cn1nc(-c2cccs2)ccc1=O)NCCn1ccnc1 253414041 WHNHNHGQYXBRDT-UHFFFAOYSA-N 329.385 0.985 0 50 ECAA O=C(N[C@H](CO)Cc1ccccc1)[C@H](c1ccccc1)n1cnnn1 252499915 SIZLWKXRZGPBFG-IRXDYDNUSA-N 337.383 0.982 0 50 ECAA NC(=O)c1cccnc1N1CCN(C(=O)c2cc(C3CC3)[nH]n2)CC1 299425042 GVSRYYLITAUZJK-UHFFFAOYSA-N 340.387 0.743 0 50 ECAA COc1cc(CN2C[C@@H](O)[C@H](Oc3cnn(C)c3)C2)cc2c1OCO2 628376248 LTTGGVVMHTZKGN-CZUORRHYSA-N 347.371 0.782 0 50 ECAA NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)CSc1nccc2ccccc12 628601660 IAHQKHLYAOPHEX-YPMHNXCESA-N 331.397 0.774 0 50 ECAA COC(=O)C[C@@H]1C(=O)NCCN1C(=O)c1ccc(O)nc1C(C)C 1940195885 UBFOWADUHNKHAZ-LLVKDONJSA-N 335.360 0.414 0 50 ECAA CC(=O)N[C@@H](CCC(N)=O)C(=O)NCc1ccc2c(c1)CCCO2 299767158 GIZXIHZUTSKMJI-AWEZNQCLSA-N 333.388 0.398 0 50 ECAA Cn1nc2c(c1C(=O)NCCc1cnc(=O)n(C)c1O)CCCC2 299755141 APDKWDBFCKFKCG-UHFFFAOYSA-N 331.376 0.071 0 50 ECAA Cc1nnc2n1C[C@@H](CN(C)C)N(C(=O)c1ccc(CN)cc1)C2 952849506 LXSIZKNMZBVMDI-OAHLLOKOSA-N 328.420 0.631 0 50 ECAA O=S(=O)(C[C@@H]1CCOC1)NC1CN(c2nc3ccccc3[nH]2)C1 1875279623 ZFPKXRJQUAQZLZ-LLVKDONJSA-N 336.417 0.707 0 50 ECAA CC(C)n1cc(C[C@H]2NC(=O)N(CCc3cccnc3)C2=O)nn1 1875360907 LSLROYPMNZDVIR-CQSZACIVSA-N 328.376 0.960 0 50 ECAA O=C(NC1([C@@H]2CCNC2)CC1)[C@H](O)[C@@H](O)c1nc2ccccc2s1 1875315329 PIJBDWCNLWKHMR-LERXQTSPSA-N 347.440 0.949 0 50 ECAA Cc1nc(CN2CC[C@H](Nc3cncc(C(N)=O)n3)[C@@H](O)C2)cs1 1565527505 XPWBPEGZJNIGFS-AAEUAGOBSA-N 348.432 0.388 0 50 ECAA CN(C)CCO[C@H]1COCC[C@@H]1NC(=O)Cc1nc2ccccc2[nH]1 1565508991 LWODVJHPRYIHJM-HOTGVXAUSA-N 346.431 0.957 0 50 ECAA O=C(Cc1ccc(F)cc1)N1CCN([C@]2(C(=O)O)CCOC2)CC1 886097204 TUELUYBBLIRDMP-QGZVFWFLSA-N 336.363 0.756 0 50 ECAA COc1ccc(C(=O)NC[C@@H]2OCCN(C)[C@H]2c2ccnn2C)nn1 886079402 WCWZBZLEAVFJMP-ZFWWWQNUSA-N 346.391 0.020 0 50 ECAA CC(=O)Nc1ccc(C(=O)N[C@@H]2CN(C)C[C@H]2c2cncn2C)nc1 1775960171 VYMOERXBOYVFSM-UKRRQHHQSA-N 342.403 0.601 0 50 ECAA CNc1cc(N2CCC[C@@H]2CNc2nc(O)c3cn[nH]c3n2)ncn1 274630373 BWYJVLJAYUFUGL-SECBINFHSA-N 341.379 0.971 0 50 ECAA CN1CCO[C@H](CS(=O)(=O)N2CCC[C@H]2[C@@H]2CCCOC2)C1 632496948 SXSYDJFGRRKDEK-ILXRZTDVSA-N 332.466 0.538 0 50 ECAA CNS(=O)(=O)N1CCN(C(=O)/C=C/c2ccnc(Cl)c2)CC1 408524104 XSLHWNPYWBINFP-NSCUHMNNSA-N 344.824 0.357 0 50 ECAA Cc1ccccc1-n1nc(C(=O)NC[C@H](O)C(N)=O)c2c1CCC2 408515045 ULEOQPLNOSOYLA-AWEZNQCLSA-N 328.372 0.245 0 50 ECAA O=C1CC[C@H](COC(=O)[C@H]2CSCN2C(=O)C2CCCC2)N1 170622792 MKQZAGWWZDTQAE-VXGBXAGGSA-N 326.418 0.900 0 50 ECAA Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NS(=O)(=O)c1ccnn1C 280236010 LZRLGLQWMGOXRI-FZMZJTMJSA-N 339.421 0.579 0 50 ECAA COc1ccccc1C1(C(=O)N2CCC[C@](O)(CC(N)=O)C2)CC1 643999256 BFWRRLJWUNEVTG-KRWDZBQOSA-N 332.400 0.956 0 50 ECAA C[C@H](Cc1ccccn1)NS(=O)(=O)N1CCC(C(=O)O)CC1 656180743 LAYGHJJYSGQMNA-LLVKDONJSA-N 327.406 0.644 0 50 ECAA CN(Cc1ccc(F)cc1)C(=O)CN1CC[C@@](O)(Cn2ccnn2)C1 671553472 TUGOUTRVNTZLSO-KRWDZBQOSA-N 347.394 0.513 0 50 ECAA COc1cccc(CN2C[C@@H](O)[C@H](CS(=O)(=O)N(C)C)C2)c1F 1529114069 KIUIBLUJXYRMMR-QWHCGFSZSA-N 346.424 0.518 0 50 ECAA Cc1ccc(F)cc1S(=O)(=O)N1C[C@@H]2CNC[C@@]2(CN(C)C)C1 1772710136 MEXGFUKPGOUMCT-XJKSGUPXSA-N 341.452 0.906 0 50 ECAA Cn1c(=O)c2c(nc(Nc3ccc(F)cc3)n2CC(=O)O)n(C)c1=O 12443262 VJYLRCOTCPFAAF-UHFFFAOYSA-N 347.306 0.401 0 50 ECAA CCn1c(-c2nonc2N)nc2cncc(CNC3CCNCC3)c21 13998530 MBCJUIJWPYUEBX-UHFFFAOYSA-N 342.407 0.925 0 50 ECAA in-vivo CC(C)[C@H]1NC(=O)[C@@H]2C[C@H](NC(=O)Nc3ccccc3)CN2C1=O 14745467 MUHOGRXAFDIGPT-MELADBBJSA-N 330.388 0.932 0 50 ECAA Cc1nonc1CC(=O)N[C@@H]1CC(=O)N(C2Cc3ccccc3C2)C1 14949024 BSXWRWVVXHNKIZ-CQSZACIVSA-N 340.383 0.805 0 50 ECAA CCOc1ccc(S(=O)(=O)N(C)CC(=O)N2CCOCC2)cc1 4502916 ITHPVUPVQPCMPQ-UHFFFAOYSA-N 342.417 0.565 0 50 ECAA CCOC(=O)c1[nH]cnc1C(=O)N1CCN2C(=O)OC[C@@]2(CC)C1 1857670820 DINQOSZFEIVSBU-OAHLLOKOSA-N 336.348 0.643 0 50 ECAA COc1ccc(C(=O)N2CC[C@@]34OCCN3C(=O)C[C@@H]24)c(OC)n1 1857737853 GQZACRWRAZLMTR-BZNIZROVSA-N 333.344 0.272 0 50 ECAA NS(=O)(=O)c1cccc(S(=O)(=O)N2CCOC[C@@H]2C2CC2)c1 328810303 AQIWXAUYZXGJTK-CYBMUJFWSA-N 346.430 0.134 0 50 ECAA O=S(=O)(N1CCOCC1)N1CCC(NC[C@H]2CC=CCC2)CC1 123357604 KCHLDPHKFGLEBU-HNNXBMFYSA-N 343.493 0.974 0 50 ECAA COC[C@]1(C(N)=O)CCCN1S(=O)(=O)c1ccc(Cl)cc1 643701927 JZYAVUOMWQEBJU-ZDUSSCGKSA-N 332.809 0.995 0 50 ECAA CC(C)c1nnc2n1CCN(C(=O)CN1CCCC[C@H](O)C1=O)C2 644352191 QGIXWASECIVALD-LBPRGKRZSA-N 335.408 0.117 0 50 ECAA Cc1ccnc(N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)n1 241231275 KTNZKCUAUYUZJE-CYBMUJFWSA-N 326.422 0.416 0 50 ECAA CN1[C@H](c2ccccc2F)[C@H](CNC(=O)c2cnn[nH]2)C[C@@H]1CO 248073764 YHCCEOVKCUYMQM-RWSFTLGLSA-N 333.367 0.728 0 50 ECAA CNC(=O)[C@@H]1Cn2c(C)nnc2CN1C(=O)c1ccoc1C1CC1 818369957 JFYQIXGAYMAAPX-LBPRGKRZSA-N 329.360 0.828 0 50 ECAA COc1ccc(OS(=O)(=O)C[C@H]2CCN(S(C)(=O)=O)C2)cc1 824684125 YDRUBWBHWWEGFI-NSHDSACASA-N 349.430 0.685 0 50 ECAA Cn1cc([C@@H](O)CNC(=O)C(=O)Nc2ccc3[nH]ncc3c2)cn1 1252286102 CMLLUPGXAAPSDW-ZDUSSCGKSA-N 328.332 0.085 0 50 ECAA O=C(Nc1cccc(CN2C(=O)CNC2=O)c1)N[C@@H]1[C@H]2CCOC[C@@H]21 2325769547 WBAKSPGVFKTVPF-KCQAQPDRSA-N 344.371 0.895 0 50 ECAA O=C(NCC1(c2c(F)cccc2F)CCCC1)[C@@H]1NC[C@@H](O)[C@H]1O 2325801068 UNEKPAGLVYYVFR-BPLDGKMQSA-N 340.370 0.586 0 50 ECAA O=C(N[C@H]1C[C@@H]2CN(C(=O)[C@H]3C[C@@H](O)C3)C[C@@H]2C1)c1cncs1 2325876490 XLQBDMLPSSBHMF-AQAXSTTCSA-N 335.429 0.881 0 50 ECAA CC[C@@H](CO)NC(=O)C(F)(F)C(F)(F)C(=O)N[C@@H](CC)CO 3151956 PASPZOXUCPYOIU-YUMQZZPRSA-N 332.294 0.031 0 50 ECAA CNC(=O)c1ccc(/C=C/C(=O)N2CCO[C@H](CN(C)C)C2)cc1 116791660 UJLWJLQJDFRWPO-YXMGTMDOSA-N 331.416 0.848 0 50 ECAA CO[C@H]1C[C@@H](CN2CCCC2)N(CCC(=O)Nc2cc(C)on2)C1 347906325 PQQDAVNXTAWSIH-GJZGRUSLSA-N 336.436 1.497 0 50 ECAA CCCNC(=O)[C@H](C)NC(=O)CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O 248377875 HZDLLLJVOBCFFP-YNEHKIRRSA-N 337.420 0.583 0 50 ECAA CN(CC(=O)N1CCC(N2CCC(O)CC2)CC1)Cc1ccncc1 72157002 WJOBBIAPIFCGEQ-UHFFFAOYSA-N 346.475 0.961 0 50 ECAA CCOC(=O)N[C@@H]1CCCN([C@H]2CCN(C3CCOCC3)C2=O)C1 252672526 QENCPWLJPNJTEK-HIFRSBDPSA-N 339.436 0.977 0 50 ECAA O=C1CC[C@@H](NC(=O)Cn2cnc3ccccc32)[C@@H]([C@@H]2CCCO2)N1 362340947 DCKHSQWGMGIPRY-XUWXXGDYSA-N 342.399 0.979 0 50 ECAA Cc1nn(C)c(=O)c(C(=O)N2CC[C@H](C(=O)N3CCCC3)C2)c1C 329554632 KJPQGQAMLNDHQZ-ZDUSSCGKSA-N 332.404 0.482 0 50 ECAA Cc1nc2c(c(C)c1CCC(=O)N1CCNC[C@@H]1C)c(=O)[nH]n2C 125863461 LCOIACODADWFOQ-JTQLQIEISA-N 331.420 0.631 0 50 ECAA COc1cc(OC)cc(N2CC[C@H](NC(=O)[C@H]3CCC(=O)N3)C2)c1 332127403 JUVCNIUCCBMOLS-XHDPSFHLSA-N 333.388 0.677 0 50 ECAA O=C(O)c1cc(CN2CCN[C@@H](C(=O)N3CCCC3)C2)ccc1O 72159402 STQFAHRXSYUABW-CQSZACIVSA-N 333.388 0.487 0 50 ECAA COCCN(C)c1ccc(CN[C@H](C)CN2CCN(C)CC2)cn1 240444227 FWTUDMMQTDRYIA-MRXNPFEDSA-N 335.496 0.890 0 50 ECAA Cc1oc(S(N)(=O)=O)cc1C(=O)N[C@H]1COc2ccccc2C1 281085203 GHQCKAGYVPNGAZ-LLVKDONJSA-N 336.369 0.969 0 50 ECAA CCc1cc(N2CCC[C@H](NC(=O)N[C@@H](C)C(=O)N(C)C)C2)ncn1 171968467 LNIANLDQWNNJRR-JSGCOSHPSA-N 348.451 0.784 0 50 ECAA Cc1nc(CN2CCN(C(=O)[C@@H](C)NS(C)(=O)=O)CC2)cs1 222456144 UVROGSKDYVIYFY-SNVBAGLBSA-N 346.478 0.033 0 50 ECAA Cc1nn(C)c(Cl)c1S(=O)(=O)NCc1cc2n(n1)CCNC2 82138654 PUDDROVFHLDULN-UHFFFAOYSA-N 344.828 0.160 0 50 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C[C@@H]1O[C@H](C)Cc2c1nn(C)c2C(=O)NCc1cnn(CCO)c1 1857529724 HKIPQMBSIDLYGI-MNOVXSKESA-N 333.392 0.561 0 50 ECAA CN(CC[C@H](O)c1ccccc1)C(=O)c1cc(-n2cnnn2)n[nH]1 1857677810 NKWWPOMOQVBKHA-ZDUSSCGKSA-N 327.348 0.581 0 50 ECAA O=C(NCCc1nc2c(s1)CCCC2)c1cc(-n2cnnn2)n[nH]1 1857678236 JKBRDQPECUYMGT-UHFFFAOYSA-N 344.404 0.693 0 50 ECAA N=c1[nH]c(C(=O)N2C[C@H](O)[C@]3(C2)[C@H](c2ccccc2)[C@H]3CO)cs1 1857722143 CWCIRGNWBURLAI-ABYLEIOUSA-N 345.424 0.765 0 50 ECAA CCc1nc(O)ccc1C(=O)N1CC[C@@]23OCCCN2C(=O)C[C@@H]13 1875245169 NGMRGXAWWOXDHL-DYVFJYSZSA-N 331.372 0.913 0 50 ECAA O=C(NCCC(=O)N1CC[C@H](N2CCOCC2)C1)c1ccc(F)cc1 329745007 QYCRFTVFDHMTFN-INIZCTEOSA-N 349.406 0.879 0 50 ECAA NS(=O)(=O)c1ccccc1CNC(=O)[C@@H](O)C1CCCCC1 331165072 MFBUOCKHILFLAQ-AWEZNQCLSA-N 326.418 0.891 0 50 ECAA O=S(=O)(c1ccc(F)cc1)N1CC[C@](O)(Cn2ccnn2)C1 671431498 PJCBDNDTENGHAM-ZDUSSCGKSA-N 326.353 0.243 0 50 ECAA COC(=O)[C@@H](C)CNC(=O)c1ccc(C[C@H]2CC(=O)NC2=O)cc1 266847657 QKBXKKIYNASGOB-GWCFXTLKSA-N 332.356 0.431 0 50 ECAA C[C@@](O)(CNC(=O)c1cc(F)c(N2CCOCC2)c(F)c1)C(=O)O 911474721 YDSZARCPNRFTPV-OAHLLOKOSA-N 344.314 0.367 0 50 ECAA Cc1nc(CC(=O)NCc2cc(CNC(=O)CO)ccn2)cs1 2100556206 IMEBPEXMOFLRCO-UHFFFAOYSA-N 334.401 0.314 0 50 ECAA CN(C)[C@]1(C(N)=O)CCN(C(=O)[C@@H](O)CCCc2ccccc2)C1 2325803619 QSRMXCGEDUVBRY-MAUKXSAKSA-N 333.432 0.388 0 50 ECAA N[C@@H]1CCc2cc(C(=O)NC3CC(CS(N)(=O)=O)C3)ccc2C1 2325849225 JAOBEWBPIPBDOA-CIQACWJJSA-N 337.445 0.300 0 50 ECAA Cn1cnc([C@@H]2CN(C(=O)c3cnc4n3CCCCC4)C[C@H]2N)c1 864340826 LFJZPSOUYCXMFX-CHWSQXEVSA-N 328.420 0.910 0 50 ECAA COc1ccc(S(=O)(=O)N(C)[C@@H]2CCOC2)c(CC(=O)O)c1 316779541 JELSINSNVKXMAU-LLVKDONJSA-N 329.374 0.732 0 50 ECAA CN1CCNC(=O)C12CCN(c1cc(N)nc(N3CCCC3)n1)CC2 67885732 OFUYEDOJVQYNJK-UHFFFAOYSA-N 345.451 0.060 0 50 ECAA CC(C)O[C@H]1CN(C(=O)CCNC(=O)c2ccc(F)cc2)C[C@@H]1O 65395195 RAYSMKQFOXWSAG-GJZGRUSLSA-N 338.379 0.942 0 50 ECAA Cc1cc(NC(=O)[C@H](C)N2CCO[C@@H](Cn3nc(C)nc3C)C2)on1 229500961 DWPKWFQNYJCNER-SMDDNHRTSA-N 348.407 0.919 0 50 ECAA CS(=O)(=O)N1CCC[C@H]1C(=O)N1CCC[C@@H](n2cccn2)C1 229789489 FDCNJGXCXIFHDN-OLZOCXBDSA-N 326.422 0.471 0 50 ECAA O=C([C@H]1Cc2ccccc2CN1)N1CC[C@@H](CN2CCOCC2)C1 238030988 SUDIVBXQMIAKKB-MAUKXSAKSA-N 329.444 0.882 0 50 ECAA CCN(CC)Cc1cnc2c(C(=O)N[C@H](C)C(=O)N(C)C)cnn2c1 67894809 SMIIEQJFBIOGRA-GFCCVEGCSA-N 346.435 0.778 0 50 ECAA Cn1cc(N2CC[C@H](N3CCC[C@H](c4n[nH]c(=O)o4)C3)C2=O)cn1 284421453 XWYMJVFIQLFPOT-JQWIXIFHSA-N 332.364 0.081 0 50 ECAA COc1ccc(CN2CCN(C(=O)[C@H]3COCCN3)CC2)cc1F 237300920 ARHYSIFFZZUIFR-OAHLLOKOSA-N 337.395 0.467 0 50 ECAA C[C@H]1CC[C@@]2(CCN(CC(=O)c3c(N)n(C)c(=O)n(C)c3=O)C2)C1 368074394 IFUPSMHHEWTXSA-APPDUMDISA-N 334.420 0.361 0 50 ECAA CS(=O)(=O)NCCN1CCOC[C@H]1Cc1c[nH]c2ccccc12 369879227 XYSJQRTZDXQPSP-CQSZACIVSA-N 337.445 0.960 0 50 ECAA CN(C)CCCN1CCN(c2cc(C3CC(O)C3)nc(N)n2)CC1 222779022 IRNRKNWVBIDKEV-UHFFFAOYSA-N 334.468 0.371 0 50 ECAA COCCN1CCC[C@@H](CNC(=O)N2Cc3nc(C)nc(O)c3C2)C1 426653016 UWOYVSPPUXAWHR-ZDUSSCGKSA-N 349.435 0.874 0 50 ECAA CN(CC(=O)NCCSc1nnnn1C)Cc1ccc(F)cc1 223127809 NWCAWZDSIXWPRY-UHFFFAOYSA-N 338.412 0.690 0 50 ECAA CCc1nc(=O)c(CC(=O)NC[C@H]2CC(=O)N(C(C)C)C2)c(C)[nH]1 221322296 XJBSWRXZLNTMAX-GFCCVEGCSA-N 334.420 0.556 0 50 ECAA O=C(Cn1ccnn1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 426374184 LLHKSROITHJHPH-UHFFFAOYSA-N 329.360 0.351 0 50 ECAA CNS(=O)(=O)c1ccc(C(=O)N2C[C@@H](CO)c3ccccc32)cn1 293958032 QTCDQOLFJFGSGN-LBPRGKRZSA-N 347.396 0.726 0 50 ECAA O=C(c1c[nH]c(=O)cn1)N1C[C@@H]2CC[C@H](C1)N(CC1CCC1)C2=O 91494579 UWYSMAZQDDNSLV-QWHCGFSZSA-N 330.388 0.633 0 50 ECAA CN1C(=O)C[C@@H](C(=O)NCCn2ncc3ccccc3c2=O)C1(C)C 244874498 XCJHVNFWAHGYOU-AWEZNQCLSA-N 342.399 0.770 0 50 ECAA Cn1c(Cn2cccn2)nnc1[C@H]1C[C@H](NC(=O)c2cc(O)no2)C1 244723637 MEVSWXURKZHRRB-MGCOHNPYSA-N 343.347 0.430 0 50 ECAA Cc1[nH]nc(CCC(=O)N2CC[C@@H]3OCc4cnnn4[C@H]3C2)c1C 299759039 GTDCFNYAROMWHF-GJZGRUSLSA-N 330.392 0.923 0 50 ECAA O=C1C[C@@H](C(=O)N2CCN(c3nc[nH]n3)CC2)C2(CCCCC2)O1 299766237 MFFXHKWMXFXVSP-LBPRGKRZSA-N 333.392 0.719 0 50 ECAA Cc1c(C(=O)N2C[C@H]3COCC[C@@]3(O)[C@@H]3COCC[C@@H]32)cnn1C 299783337 ZLCDJJUHMVHNJE-GUSZCTEKSA-N 335.404 0.357 0 50 ECAA CCS(=O)(=O)N1CCN(C(=O)[C@@H]2CC(=O)OC23CCCC3)CC1 823413007 JJYADULIPZSVOH-LBPRGKRZSA-N 344.433 0.356 0 50 ECAA CNS(=O)(=O)CCN1CCCC[C@@H]1c1n[nH]cc1C(=O)N(C)C 685940230 SHFBQANHEJIILB-GFCCVEGCSA-N 343.453 0.188 0 50 ECAA CC(C)c1ccc(C(=O)N[C@H]2CCOC[C@@H]2OCC(N)=O)c(O)n1 1565515485 ANRHOAPUUUXAFR-STQMWFEESA-N 337.376 0.300 0 50 ECAA OCC[C@H]1CN(c2ccc3nnc(-c4cccnc4)n3n2)C[C@H]1CO 1875310271 LEHFDFBYKOPOCG-KBPBESRZSA-N 340.387 0.613 0 50 ECAA CN(Cc1c[nH]nc1-c1ccc(F)cc1)C(=O)Cn1[nH]nnc1=N 952962398 CXHRERYHGKQBKG-UHFFFAOYSA-N 330.327 0.273 0 50 ECAA NC(=O)CN1CCC[C@@H](C(=O)N[C@H](c2ccccn2)C(F)(F)F)C1 952860700 SAPHPLHRYOVDGU-ZWNOBZJWSA-N 344.337 0.999 0 50 ECAA O=C(CN1CCCC1)NCC1CCN(c2ncnc3n[nH]cc23)CC1 952868964 FLHPVAVCIVXYNW-UHFFFAOYSA-N 343.435 0.781 0 50 ECAA CNC(=O)[C@H]1CC(=O)N(C2CN(C(=O)COc3cccc(F)c3)C2)C1 888098063 CHRRADDLRBFPIE-NSHDSACASA-N 349.362 0.010 0 50 ECAA COC(=O)CC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C(=O)OC 1775999331 JMIMVMMELQJKKI-ZIAGYGMSSA-N 334.372 0.339 0 50 ECAA Cc1ccc(CN2C(=O)CC[C@H]2C(=O)NC2=NCC(=O)N2C)cc1 898776550 QMDHOMVXQLUXBD-ZDUSSCGKSA-N 328.372 0.430 0 50 ECAA Cc1cc(C)n(CC(=O)N[C@H]2CCN(Cc3cscn3)C[C@@H]2O)n1 1090414042 SKENJHCRFFJDJZ-GJZGRUSLSA-N 349.460 0.708 0 50 ECAA COCC1(O)CCN(C(=O)CN2C(=O)CCc3ccccc32)CC1 270735613 FUHBEAHNILDZDK-UHFFFAOYSA-N 332.400 0.966 0 50 ECAA CN1CC[C@H]2CCN(C(=O)NCc3cccc(OCC(N)=O)c3)[C@@H]2C1 272564680 KBZDKCMJEBXDOH-GOEBONIOSA-N 346.431 0.786 0 50 ECAA COc1ccnc(N2CCN(C(=O)[C@H]3CCN(C)C(=O)C3)CC2)c1 171564083 NUHJGOKCPPRRHC-ZDUSSCGKSA-N 332.404 0.607 0 50 ECAA Cn1ccc(N2CCC[C@@H](n3cc(CC(C)(C)CO)nn3)C2=O)n1 641072641 DGCLEFWAKCQYHN-CYBMUJFWSA-N 332.408 0.941 0 50 ECAA CC(=O)N1CCCc2ccc(S(=O)(=O)N3CCNC[C@H]3C)cc21 193357296 CHQPXXMERANGSV-GFCCVEGCSA-N 337.445 0.968 0 50 ECAA COC(=O)Cc1cc(=O)[nH]c(N2CCN(Cc3ccccc3)CC2)n1 13570278 FAMQLIYHZUHIAT-UHFFFAOYSA-N 342.399 0.808 0 50 ECAA C[C@H]1CN2C[C@@H](NC(=O)CN3CCOc4ccccc4C3)C[C@H]2CO1 1857717390 NLMLKNHLPVVHSE-XIRDDKMYSA-N 345.443 0.859 0 50 ECAA O=C(N[C@H]1C[C@H]2CO[C@@H](CCO)CN2C1)c1c(F)cccc1F 1857724297 TVICYUHRXIJINC-SRVKXCTJSA-N 326.343 0.919 0 50 ECAA O=C(NC[C@H]1[C@H]2CN(C3CCOCC3)C[C@]23CC[C@H]1O3)c1cnc[nH]1 1857737317 HMRFCJLRBUASNZ-GARXJVFOSA-N 346.431 0.798 0 50 ECAA CNC(=O)C[C@@]1(O)CCCN(C(=O)c2cnc3ccccc3n2)C1 644031849 KFJULKHZPCHMRE-KRWDZBQOSA-N 328.372 0.733 0 50 ECAA CN(CC(=O)O)C[C@@H]1CN(C(=O)COc2ccccc2F)CCO1 262924178 LFEYXUIEYFASCC-GFCCVEGCSA-N 340.351 0.448 0 50 ECAA Cn1c(=O)c2c(nc(NCCOc3ccc(F)cc3)n2C)n(C)c1=O 2364405 SHOSFUDBVRCKSW-UHFFFAOYSA-N 347.350 0.601 0 50 ECAA biogenic CN1CC[C@H](O)[C@H](C(=O)NCCc2csc(-c3ncccn3)n2)C1 2100541079 UYDTWLYLWUNEQG-OLZOCXBDSA-N 347.444 0.571 0 50 ECAA C[C@H]1C[C@H](NS(=O)(=O)Cc2ccn(CC(F)(F)F)n2)C(=O)O1 2325776268 IWEDMFZXINRCAV-CBAPKCEASA-N 341.311 0.569 0 50 ECAA CN(C)C1CN(c2ncnc3c2ncn3C[C@@H](O)c2ccoc2)C1 2325815153 CBJCWHQZKZFJBC-CYBMUJFWSA-N 328.376 0.903 0 50 ECAA CC(=O)N[C@H]1CO[C@@H]2[C@@H](NC(=O)[C@@H]3CCC4(CCC4)OC3)CO[C@H]12 2325866043 ZARCSLNCICUUCY-GZBLMMOJSA-N 338.404 0.123 0 50 ECAA NS(=O)(=O)c1ccc(C(=O)N[C@H]2CC[C@H](C(=O)O)CC2)cc1 2356142885 MBBQFSBLFVYGJE-XYPYZODXSA-N 326.374 0.707 0 50 ECAA CC[C@]1(O)CCC[C@H]2CN(C(=O)c3cc4n(n3)CCN(C)C4=O)C[C@H]21 2356148352 RYARCHKNXAXSHS-JCGVRSQUSA-N 346.431 0.982 0 50 ECAA O=C(OC[C@@H]1O[C@@H]2[C@H](Oc3nc(=O)ccn32)[C@@H]1O)c1ccccc1 4012705 UDIXPZFDRWDWAJ-IGHBBLSQSA-N 330.296 0.120 0 50 ECAA CC(=O)N/C(=C\c1ccccc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O 4700902 FDVIYTSHQKTABY-VWLVURMCSA-N 334.328 0.598 0 50 ECAA biogenic CCN(Cc1noc(C)n1)C(=O)c1cc2n(n1)CCN(C(C)=O)C2 65408535 YCVSJCWIUBVLKN-UHFFFAOYSA-N 332.364 0.599 0 50 ECAA C[C@@H](C(=O)NCc1cccnc1N1CCN(C)CC1)N1CCCC1=O 67847295 GNLVAGCEQJHPGJ-AWEZNQCLSA-N 345.447 0.461 0 50 ECAA O=C(NC[C@H](O)CO)c1cc(COc2ccc(F)cc2F)on1 67982137 NZDLBWZFCQTJJL-VIFPVBQESA-N 328.271 0.615 0 50 ECAA CN1CCC(N(Cc2cccnc2)C(=O)CN2C(=O)CNC2=O)CC1 72406884 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0.408 0 50 ECAA CCn1c(CN2C[C@@H]3[C@H](C2)[C@@H](N)CS3(=O)=O)nc2ccccc21 2325772998 GFHWWGOWTFRIOV-TYNCELHUSA-N 334.445 0.612 0 50 ECAA Cn1ccc(N2CCC[C@H](NC(=O)[C@@H]3CCC(=O)N3C3CC3)C2=O)n1 2325792619 YWASBFVNKRJFCN-STQMWFEESA-N 345.403 0.185 0 50 ECAA O=C(NCCc1nn[nH]n1)c1cc(Br)cc2nn[nH]c12 2325849922 FVFNFKPSLRDZEV-UHFFFAOYSA-N 337.141 0.206 0 50 ECAA CCOc1ccc(NC(=O)CCC(=O)N2CC(=O)NC(=O)C2)cc1 1194484 LDSLOJQRHCKHHT-UHFFFAOYSA-N 333.344 0.289 0 50 ECAA Cn1ncc2ncc(C(=O)NCc3cccnc3-n3cncn3)cc21 2356135796 TXCRIUNBMGKBSG-UHFFFAOYSA-N 334.343 0.874 0 50 ECAA Cn1c(=O)c2c(ncn2CC(=O)NCCC2=CCCCC2)n(C)c1=O 8425292 FMZVJPUZXVFLEU-UHFFFAOYSA-N 345.403 0.440 0 50 ECAA CC(C)(C)[C@H](O)CN1CCN(C[C@H](O)COC[C@H]2CCCO2)CC1 248235237 BWKFURIXCQFESW-GVDBMIGSSA-N 344.496 0.568 0 50 ECAA CN1CCN(c2nnnn2-c2ccccc2)C[C@@]12CCNC(=O)CC2 108036249 DGAVWWKVSJYPAZ-QGZVFWFLSA-N 341.419 0.453 0 50 ECAA OCC[C@H]1CN(c2ncnc3c2CCNCC3)CCN1CC1CC1 106943178 SWDQQWJJOSGNEX-HNNXBMFYSA-N 331.464 0.448 0 50 ECAA CC(C)NC(=O)[C@@H]1C[C@H](N)CN1C(=O)CCc1nc2ccccc2[nH]1 67850795 UTGOIFKNPFDVTR-WFASDCNBSA-N 343.431 0.948 0 50 ECAA CCn1ccc([C@H](C)NC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)n1 6637448 PBEIWCXUKJZJEF-RYUDHWBXSA-N 328.438 0.752 0 50 ECAA Cn1nccc1N1CCC[C@H](NC(=O)C2(S(C)(=O)=O)CCC2)C1 253427716 DHDSBJJFBQGOHO-LBPRGKRZSA-N 340.449 0.472 0 50 ECAA O=C(Cc1cc2c(cc1Cl)OCCO2)NCCN1CCNC1=O 32597744 HCJPEGHEZHMYCV-UHFFFAOYSA-N 339.779 0.795 0 50 ECAA C[C@H](C(=O)N1CC[C@@H](Nc2ccc3nccn3n2)C1)n1cncn1 329127475 ZBEFXHXXXADWNJ-VXGBXAGGSA-N 326.364 0.595 0 50 ECAA CNS(=O)(=O)c1cc(C(=O)N2CC[C@]3(CCOC3)C2)ccc1F 152990708 BJROPPMFKLARBO-HNNXBMFYSA-N 342.392 0.986 0 50 ECAA CCC(=O)c1cccc(S(=O)(=O)N2CCOC[C@H]2C(=O)O)c1 370543939 NIBVGUXWTWAJHO-LBPRGKRZSA-N 327.358 0.753 0 50 ECAA COC[C@]1(C(=O)O)CCN(C(=O)c2cccc(-n3ccnn3)c2)C1 263152799 XLRYDARQVNWSGC-INIZCTEOSA-N 330.344 0.831 0 50 ECAA O=C([C@H]1COc2ccccc2C1)N1CCN(Cc2nc[nH]n2)CC1 426580642 DSMMDEZNXMCLKF-CQSZACIVSA-N 327.388 0.700 0 50 ECAA Cc1noc([C@H]2CN(C(=O)COc3c(C)nn(C)c3C)CCN2C)n1 284538450 DTJBYLFQGKWOTC-CYBMUJFWSA-N 348.407 0.622 0 50 ECAA O=C(NCc1cc2n(n1)CCCNC2)c1cn(-c2ccccc2)nn1 82107296 KNMKNYVTNFRMPH-UHFFFAOYSA-N 337.387 0.887 0 50 ECAA Cc1ccc2c(=O)cc(C(=O)N3CC[C@]4(CC(=O)NC4=O)C3)oc2c1 82134819 LHVZXNOQBDOFKH-SFHVURJKSA-N 340.335 0.980 0 50 ECAA COCc1noc(CN2CC[C@@H](NC(=O)c3ccccc3)[C@H](O)C2)n1 426690570 KVEYIQJBEMTISR-ZIAGYGMSSA-N 346.387 0.581 0 50 ECAA CCCCS(=O)(=O)N[C@H]1CN(Cc2c[nH]nn2)C[C@@H]1C1CC1 91964864 OYLGBMVJYNVIMY-KGLIPLIRSA-N 327.454 0.735 0 50 ECAA O=C(NCCc1nccc(-c2ccccc2)n1)NC[C@@H]1CNCCO1 426632906 QZOPJJDDBCKEJA-HNNXBMFYSA-N 341.415 0.974 0 50 ECAA Cn1nc(C(=O)N2CCc3nc[nH]c3[C@@H]2C(=O)O)cc1C(F)(F)F 96136439 WUCOJNGKZAGSHF-SNVBAGLBSA-N 343.265 0.986 0 50 ECAA CSc1nn2c(=O)cc(CN3CC[C@@](C)(O)[C@@H](O)C3)nc2s1 97602461 KVAAJTDDINMSQF-TVQRCGJNSA-N 342.446 0.191 0 50 ECAA Cc1ccc(C(=O)NCCN2CCOCC2)cc1N1CCNC1=O 91325809 HCCZXHQXTXVLBU-UHFFFAOYSA-N 332.404 0.587 0 50 ECAA CC[C@@H](C(=O)N1CCN(C(=O)N2CCOCC2)CC1)n1cccn1 91621325 WPUZYURQWDDTQG-AWEZNQCLSA-N 335.408 0.431 0 50 ECAA NC(=O)c1cccc(C[C@@H]2CCN(C(=O)CN3CCCC3=O)C2)c1 91486596 PERHVYJHYPFQHC-AWEZNQCLSA-N 329.400 0.799 0 50 ECAA COCCc1noc(CN2CCN(c3ccc4nccn4n3)CC2)n1 244882783 XYZRRZGPSMFKTH-UHFFFAOYSA-N 343.391 0.623 0 50 ECAA CO[C@H]1CN(C(C)C)C[C@@H]1NC(=O)c1cc(-n2cnnn2)ccc1O 252491538 LNXYSYPHYWBYDE-ZFWWWQNUSA-N 346.391 0.205 0 50 ECAA Cc1cnc(CN2CCN(c3cc(O)nc(N)n3)CC2)c(C)c1O 253536232 BWHQCFVTTMWYIJ-UHFFFAOYSA-N 330.392 0.804 0 50 ECAA CCNC(=O)N1CCN(C(=O)c2nc(-c3cnn(C)c3)oc2C)CC1 267787672 XKKSDHPKFUEEOA-UHFFFAOYSA-N 346.391 0.871 0 50 ECAA CO[C@@]12CC[C@@H](NC(=O)c3ccccc3)C[C@@H]1N(CC(N)=O)CC2 534576669 SMGLWUGAAKOXNU-RVKKMQEKSA-N 331.416 0.914 0 50 ECAA CC(=O)N1CSC[C@H]1C(=O)NC[C@H](Cc1ccccc1)C(=O)O 299752471 UFTWWFDUPNWBSB-KBPBESRZSA-N 336.413 0.968 0 50 ECAA CNC(=O)c1cc(NC(=O)NCCN2CCNC2=O)ccc1OC 299769044 IINBTNOMYHCPKD-UHFFFAOYSA-N 335.364 0.202 0 50 ECAA 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CS(=O)(=O)N1CCCC[C@H]1C(=O)N1CCC[C@H](CCC(=O)O)C1 320938831 WZJHKKSIDMOFJT-OLZOCXBDSA-N 346.449 0.904 0 50 ECAA Cc1ncccc1O[C@@H]1CCN(C(=O)CN2CCCS2(=O)=O)C1 364474725 ZQUMYGQEIIEDIX-CYBMUJFWSA-N 339.417 0.405 0 50 ECAA Cc1cc(C)n2nc(C(=O)N3CCc4c(nc(N)[nH]c4=O)C3)cc2n1 71756807 LXLCLCXYNBHFIS-UHFFFAOYSA-N 339.359 0.210 0 50 ECAA Cc1cccn2c(CC(=O)N3CCO[C@]4(CNCCOC4)C3)cnc12 72121579 SWXFTVOTOHOUMT-GOSISDBHSA-N 344.415 0.403 0 50 ECAA Cn1nnnc1SCCNC(=O)c1cccc(-n2cccn2)c1 77541162 CAWAHWIUJZBCMB-UHFFFAOYSA-N 329.389 0.918 0 50 ECAA C[C@H]1C(=O)NCCCN1C(=O)c1cc(N2CCNC2=O)ccc1F 373762474 HDPCATHGOFWAAZ-JTQLQIEISA-N 334.351 0.706 0 50 ECAA Cc1cc(=O)nc(SCC(=O)NCCSc2nccn2C)[nH]1 215904543 BKRFXRYGNZZHEN-UHFFFAOYSA-N 339.446 0.812 0 50 ECAA CNC(=O)[C@]1(C)CCN(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)C1 281799411 VHTQQCOVEHDDOX-CQSZACIVSA-N 338.389 0.003 0 50 ECAA CS(=O)(=O)N1CCC[C@@H](C(=O)Nc2cccc(C(N)=O)c2)C1 44376075 IISZNNMHHZLHBT-LLVKDONJSA-N 325.390 0.396 0 50 ECAA O=c1cc(N2CC[C@@](O)(c3c[nH]nn3)C2)cnn1Cc1ccccc1 284600014 QWHQMDVQTJOXKU-KRWDZBQOSA-N 338.371 0.508 0 50 ECAA O=C(CCn1cnnn1)N[C@H]1[C@@H]2CCO[C@@H]2[C@@H]1Cc1ccccc1 223707411 ICXPXKNQFYUFGH-FSDCSDTHSA-N 327.388 0.826 0 50 ECAA C[C@H](C(=O)N1CCN(c2ncc[nH]c2=O)CC1)n1cc(Cl)cn1 426678173 SSMYCKHERFYKPV-SNVBAGLBSA-N 336.783 0.530 0 50 ECAA CC(=O)NCCNS(=O)(=O)c1cccc(C(=O)NC2CCC2)c1 95360209 ZWPPWKIETFKZLA-UHFFFAOYSA-N 339.417 0.383 0 50 ECAA COCCN1CCC[C@]2(CCN(C(=O)Cc3nonc3C)C2)C1=O 95382094 SLKZKJKCTUUDII-MRXNPFEDSA-N 336.392 0.408 0 50 ECAA Cc1ncc(C(=O)N2CCC[C@@H](C(=O)c3nccn3C)C2)c(=O)[nH]1 91997716 CANONZWBKLTMIN-LLVKDONJSA-N 329.360 0.547 0 50 ECAA CN(C)c1nc(-c2cccc(C(=O)N3CC[C@H]4CNC[C@H]43)c2)nn1C 299771705 WRNSMYALFRQCDU-LSDHHAIUSA-N 340.431 0.982 0 50 ECAA CN(C)[C@@H]1CN(C(=O)c2cnc(C3CC3)nc2)C[C@@H]1n1ccnn1 685940141 XMVPCZKCCXNBCQ-KGLIPLIRSA-N 327.392 0.573 0 50 ECAA Cc1nccn1-c1cncc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)n1 302025607 PXGXJDAKQWEDTD-NSHDSACASA-N 336.421 0.441 0 50 ECAA CN(C)C(=O)C[C@]1(O)CCCN(Cc2nc(N)c3ccccc3n2)C1 643812867 VNAGXCKNTZMLHC-GOSISDBHSA-N 343.431 1.017 0 50 ECAA CC(C)C1=NO[C@H](C(=O)N2CCCN(C(=O)c3cnn[nH]3)CC2)C1 1529168413 BYAVSQIFOAOAAV-ZDUSSCGKSA-N 334.380 0.280 0 50 ECAA C[C@@H]1OCC[C@]1(O)CNC(=O)Cn1cc(Br)ccc1=O 228710341 LXOVGNASTUTAHX-ZANVPECISA-N 345.193 0.267 0 50 ECAA CC(C)(O)C(=O)N[C@H]1CCCc2nc(N3CCC(CO)CC3)ncc21 12314699 YFRXYMYDWDWRNF-AWEZNQCLSA-N 348.447 0.950 0 50 ECAA C[C@H]1NC(=O)[C@H]2CN(C(=O)Oc3ccc(Cl)cc3)CCN2C1=O 14748798 XRDMXPIPCMPEBV-BXKDBHETSA-N 337.763 0.870 0 50 ECAA C[C@H](C(=O)N1CCCN(c2ncccc2C(N)=O)CC1)n1cccn1 1857689650 IXIJSQCZAQODKX-CYBMUJFWSA-N 342.403 0.677 0 50 ECAA CN(C)C(=O)C[C@H]1CN2C[C@H](NC(=O)c3cscn3)C[C@H]2CO1 1857715413 QLNOLQCJKIRAIN-WOPDTQHZSA-N 338.433 0.193 0 50 ECAA O=C1CCOC2(CCN(CC(=O)N3CCc4ccccc43)CC2)CN1 1857729993 LUGTZTDYQSDXIZ-UHFFFAOYSA-N 343.427 0.947 0 50 ECAA O=C(NC[C@@H]1COc2ccccc2O1)c1cn2c(n1)CCNCC2 1857730775 WWAWNWQOCGUAOV-GFCCVEGCSA-N 328.372 0.599 0 50 ECAA CS(=O)(=O)N[C@H]1CCCN(Cc2ncnn2-c2ccccc2)C1 225626591 GLDRETSCQPFRHM-ZDUSSCGKSA-N 335.433 0.781 0 50 ECAA O=C(NS(=O)(=O)c1cnn(-c2ccccc2)c1)[C@]1(F)CCNC1 901020378 UIQHQRPBIXHEOF-AWEZNQCLSA-N 338.364 0.379 0 50 ECAA Cn1ncc(C(=O)O)c1C(=O)N1CCC[C@H](N2CCCCC2=O)C1 901859014 UPIFMHVYRMNZGF-NSHDSACASA-N 334.376 0.735 0 50 ECAA CCCS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCC(=O)NC2=O)cc1 1859679331 CDFAZPXWGUANGV-GFCCVEGCSA-N 338.385 0.405 0 50 ECAA C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C2)C(=O)O1 874435532 XBCQBRHCBWORPB-MXWKQRLJSA-N 327.381 0.999 0 50 ECAA CCc1cccc(S(=O)(=O)N(C)Cc2nnc3n2CCNC3=O)c1 952992750 CHACDEVEYXACGB-UHFFFAOYSA-N 349.416 0.405 0 50 ECAA Cc1cc(C(N)=O)cc(S(=O)(=O)N[C@@]2(CC(=O)O)CCOC2)c1 1875267008 SVINZEXBBUKNOH-CQSZACIVSA-N 342.373 0.006 0 50 ECAA COc1ncc(CNC(=O)CN2CCCC[C@@H](O)C2=O)cc1Cl 886078455 SPCFGYNWHHOPFO-GFCCVEGCSA-N 341.795 0.733 0 50 ECAA CN1CC[C@@H](C(=O)NCc2cccc(OCC(F)F)n2)S1(=O)=O 888092840 WDKABDXUMQNJAM-JTQLQIEISA-N 349.359 0.376 0 50 ECAA CO[C@@H]1CCC[C@H]1NC(=O)N1CC[C@H](N2CCCS2(=O)=O)C1 1775998934 KXAXHHMOVXFXRU-YNEHKIRRSA-N 331.438 0.373 0 50 ECAA C[C@@H](NC(=O)c1n[nH]c(-n2cnnc2)n1)c1nncn1C1CCCC1 2100473165 CEBBSUMRDQMCHZ-SECBINFHSA-N 342.367 0.583 0 50 ECAA Cn1nnc([C@H]2CN(C(=O)c3cccc4c3NCCC4)CCO2)n1 2100473762 XYKFKMAOSVMALD-CYBMUJFWSA-N 328.376 0.782 0 50 ECAA COc1ccc2cnn(CC(=O)NC[C@]34CC[C@@H]3CCN4)c(=O)c2c1 2325791060 PNNQRGFPPUHDGK-FZKQIMNGSA-N 342.399 0.663 0 50 ECAA CC(=O)N[C@H]1CO[C@@H]2[C@@H](NC(=O)c3cnn4ccc(C)cc34)CO[C@H]12 2325865626 JWFRUOTZSKBBLR-WMHQRMGPSA-N 344.371 0.043 0 50 ECAA Cn1c(=O)[nH]c(=O)c2c1nc(NCCCO)n2Cc1ccc(F)cc1 2502268 XVDSENHYLWRYIH-UHFFFAOYSA-N 347.350 0.405 0 50 ECAA biogenic COC(=O)CN1CCN(C(=O)c2ccc(O)nc2C(C)C)[C@@H](C)C1=O 2356156201 WGZREPFSACPWJK-NSHDSACASA-N 349.387 0.757 0 50 ECAA COCCNC(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 6730375 JSWPDXGVTOZRHT-UHFFFAOYSA-N 342.417 0.392 0 50 ECAA CCn1nccc1S(=O)(=O)NC[C@@H]1CCO[C@H]1c1ccnn1C 225547907 NZMUXCKVNOBAQP-SMDDNHRTSA-N 339.421 0.693 0 50 ECAA C[C@](O)(CO)CNC(=O)C1(NC(=O)NCc2ccccc2)CCCC1 225554632 NYXOVHYJAFUQST-QGZVFWFLSA-N 349.431 0.658 0 50 ECAA O=C(CNC(=O)N[C@@H]1CCc2ncnn2C1)NCCc1ccccc1 112746823 DCKLMQLXGLVDJU-CQSZACIVSA-N 342.403 0.251 0 50 ECAA Cc1ccccc1OCC(=O)N[C@H]1CCN(CC(=O)N(C)C)C[C@@H]1O 1100094107 HELDKYCWSCFIKV-GJZGRUSLSA-N 349.431 0.013 0 50 ECAA CCN(CC)Cc1cnc2c(C(=O)N[C@H](C(N)=O)C(C)C)cnn2c1 67695263 UGVPVIVZHBQUJK-AWEZNQCLSA-N 346.435 0.811 0 50 ECAA CC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)[C@@H](N)c3ccccc3)[C@@H]2SC1 1849559 ZAIPMKNFIOOWCQ-PGUXBMHVSA-N 347.396 0.445 0 50 ECAA biogenic Cc1nn(C)c(C)c1NC(=O)[C@@H](C)N1CCO[C@@H](Cn2cccn2)C1 229502485 WARKRJDZWKWJMR-HUUCEWRRSA-N 346.435 0.961 0 50 ECAA Cn1cc(S(=O)(=O)N[C@@H]2CCN3CCCC[C@@H]23)cc1C(N)=O 229697400 HOIJGXVKVFBWTB-NEPJUHHUSA-N 326.422 0.029 0 50 ECAA Cc1cc(=O)[nH]c(NCCNC(=O)[C@@H]2CCCCN2C(=O)C2CC2)n1 219374322 IJQPKAILUOFRHF-ZDUSSCGKSA-N 347.419 0.398 0 50 ECAA Cc1nc(C(=O)N[C@H](C)c2ccc3c(c2)OCO3)nn1-c1nc[nH]n1 363143133 WSCHWPGTNQNUDY-MRVPVSSYSA-N 341.331 0.914 0 50 ECAA O=C(N[C@@H]1CCOC[C@H]1OCc1ccccc1)c1cc(=O)[nH]c(=O)[nH]1 218786305 IAZLRYXALZONQT-TZMCWYRMSA-N 345.355 0.167 0 50 ECAA CCN(Cc1nnc(C)o1)[C@H]1CN(C(=O)c2ccc(C)nc2)C[C@H]1O 331500786 WJZSSHSJFJVFOI-LSDHHAIUSA-N 345.403 0.789 0 50 ECAA CN1C[C@]2(CCN(C(=O)c3cccc(S(C)(=O)=O)c3)C2)OC1=O 72159106 JTYJPSUGJZJOAR-HNNXBMFYSA-N 338.385 0.757 0 50 ECAA C[C@@H](NC(=O)Nc1cnc(N2CCNCC2)nc1)[C@H]1CCCCO1 333335116 OVDZOHAKHWHVNL-TZMCWYRMSA-N 334.424 0.965 0 50 ECAA O=C(O)[C@@H]1C[C@H]1C(=O)N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 262848176 TTZOVRMRFBKBFZ-VXGBXAGGSA-N 346.339 0.420 0 50 ECAA Cn1cc(-c2cc(CN3CCC[C@](O)(Cn4ccnn4)C3)on2)cn1 284641529 UNEXEKFXFQVNGS-MRXNPFEDSA-N 343.391 0.694 0 50 ECAA COc1cccc(N2CCN(C(=O)[C@@H](C)n3cncn3)CC2=O)c1 82136955 JADWJGAQJARHAT-GFCCVEGCSA-N 329.360 0.723 0 50 ECAA CCn1cc(CN(C)C(=O)C[C@H]2C(=O)NCCN2C(C)C)c(C)n1 426534459 NAFQTICUJVPKLG-HNNXBMFYSA-N 335.452 0.769 0 50 ECAA COCC1(C(=O)N[C@H]2CN(CCS(C)(=O)=O)C[C@@H]2C2CC2)CC1 91952398 RGRBZMWEJNGZBN-KGLIPLIRSA-N 344.477 0.284 0 50 ECAA NC(=O)CN1CC2(CCC1=O)CCN(C(=O)[C@H]1CC13CCC3)CC2 91602434 LGNDGLJAYIANJW-CYBMUJFWSA-N 333.432 0.893 0 50 ECAA CCN1CCN(CC(=O)N2CCCC[C@H]2c2cc(C)on2)C(=O)C1=O 95520313 TWTGMYJXMGFBRK-AWEZNQCLSA-N 348.403 0.727 0 50 ECAA Cc1[nH]c2ccnn2c(=O)c1CC(=O)N(CCC(=O)O)CC(C)C 236720702 UEXUDJXRIVCHKC-UHFFFAOYSA-N 334.376 0.833 0 50 ECAA CCC(=O)N[C@@H]1C[C@@H](C(=O)N(CC)CC)N(C(=O)c2cncn2C)C1 96130932 NVVDAHBLLXYNEU-OLZOCXBDSA-N 349.435 0.398 0 50 ECAA CO[C@@H]1COC[C@H]1n1cc(C(=O)N2CC(O)(c3ccccc3)C2)nn1 290828591 HKORJAGLFBSSKN-HUUCEWRRSA-N 344.371 0.208 0 50 ECAA NS(=O)(=O)c1ccc(CNC2CCN(c3ncccn3)CC2)cc1 95500162 VSKNHEUXALASNH-UHFFFAOYSA-N 347.444 0.883 0 50 ECAA COc1cc2c(cc1CNC(=O)CC[C@H]1NC(=O)NC1=O)CCC2 92020176 CFPWGJAPFKJIAS-CYBMUJFWSA-N 331.372 0.788 0 50 ECAA CN1CC[C@H]2CN(C(=O)Cc3ccc4c(c3)OCO4)C[C@@]2(C(=O)O)C1 96151751 DIRZXYXMLHAIBP-UGSOOPFHSA-N 346.383 0.823 0 50 ECAA Cc1nnnn1CCC(=O)N[C@@H](Cc1ccncc1)[C@H]1C[C@@H](O)C1 244787913 QFZSAMWKGAELBP-ZNMIVQPWSA-N 330.392 0.265 0 50 ECAA CN(CC(=O)N[C@H](c1cnn(C)c1)[C@H]1C[C@@H](O)C1)Cc1cccnc1 244811565 SGYFJZMNSHWZQM-LESCRADOSA-N 343.431 0.875 0 50 ECAA Nc1nc(N2CCN(C(=O)c3ccc[nH]3)CC2)cc([C@H]2C[C@H](N)C2)n1 244794835 QUUQSECNCWVNJB-HAQNSBGRSA-N 341.419 0.554 0 50 ECAA CO[C@@H]1CN(C(=O)c2ccc3c(c2)OCCO3)C[C@H]1c1cnn[nH]1 622170104 LTGSSQPWVSFOAL-XHDPSFHLSA-N 330.344 0.831 0 50 ECAA CCOC(=O)N1CCC(N[C@H]2COC[C@@H]2N2CCN(C)CC2)CC1 534591441 QYIGBUOFELXXAE-HOTGVXAUSA-N 340.468 0.212 0 50 ECAA O=C(NCc1nc(-c2cccnc2)no1)[C@H]1CCCCn2nnnc21 299780550 AQVGTVRZOXEPHV-NSHDSACASA-N 340.347 0.702 0 50 ECAA Cc1noc(C)c1CCCNC(=O)[C@H]1CCc2nn(C)c(=O)n2C1 299759508 SYJFAZKRDUAGNV-LBPRGKRZSA-N 333.392 0.498 0 50 ECAA Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@H](CN2CCOCC2)C1 670441108 XSLZEYCIDFVRJY-CQSZACIVSA-N 342.465 0.759 0 50 ECAA CNC(=O)c1cc(S(=O)(=O)N[C@H](C)Cc2cnn(C)c2)cn1C 1463715406 MZQBSBJIDORSNS-SNVBAGLBSA-N 339.421 0.028 0 50 ECAA CNS(=O)(=O)CCNC(=O)N1CCCN(C2CCCC2)CC1 188177938 ULFZLPUKKNZVPC-UHFFFAOYSA-N 332.470 0.196 0 50 ECAA COCCN(CCOc1ccccc1F)C(=O)CNC(=O)N(C)C 1506401798 LWAITXLXOYYTDO-UHFFFAOYSA-N 341.383 0.951 0 50 ECAA CCc1[nH]nc(C(=O)N2C[C@@H]3CC[C@H]2CN(CC(=O)N(C)C)C3)c1C 216159282 JEFRURBTNWHCBM-KGLIPLIRSA-N 347.463 0.905 0 50 ECAA Nc1n[nH]c(C2CCN(c3cncc(C(=O)N4CCCC4)n3)CC2)n1 1704336355 GQNZRCNMANWSIA-UHFFFAOYSA-N 342.407 0.797 0 50 ECAA O=C1COc2ccc(S(=O)(=O)N3CCC[C@@H]3C3(O)CC3)cc2N1 1772809895 GQLFCKIESDQCPK-CYBMUJFWSA-N 338.385 0.696 0 50 ECAA CC[C@@H]1CN(C(=O)COC[C@H]2CCCO2)C[C@@H]1N1CCOCC1 229828014 JGVIHXYRPDACOE-OAGGEKHMSA-N 326.437 0.751 0 50 ECAA COC(=O)[C@]1(C)CN(C(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)C[C@H]1C 252494219 NOOZRQMSCKCQJB-REDKMVRKSA-N 337.420 0.836 0 50 ECAA CCNC(=O)N1CCN(C(=O)c2ccc(-n3cnnc3)cc2)CC1 264584349 MDANDRQCURUDKP-UHFFFAOYSA-N 328.376 0.755 0 50 ECAA O=C(CN1CCN(C2CC2)C1=O)NCc1c[nH]nc1[C@@H]1CCNC1 952851431 ZVCNARARLFDENA-LLVKDONJSA-N 332.408 0.003 0 50 ECAA C[C@]1(CCCO)CCCN1C(=O)c1ccnc2c(C(N)=O)cnn12 1875259825 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ECAA COc1ccccc1S(=O)(=O)N1CC(C)(N2CCOCC2)C1 1775998985 NJXLCWVGGZERRJ-UHFFFAOYSA-N 326.418 0.790 0 50 ECAA O=C1CC[C@H](N2C(=O)c3cccc(NC(=O)CCl)c3C2=O)C(=O)N1 34335243 SVSMQAPPCVNXQW-VIFPVBQESA-N 349.730 0.265 0 50 ECAA CCOC1(C(=O)O)CN(C(=O)c2cc(C(=O)OC)c(CC)o2)C1 2325869952 CYBKANACIQPLIR-UHFFFAOYSA-N 325.317 0.944 0 50 ECAA COc1cccc(CNC(=O)C2CCN(S(C)(=O)=O)CC2)c1 261869 JUBAZYLJELNGOF-UHFFFAOYSA-N 326.418 0.983 0 50 ECAA biogenic Cc1cc(O)cc(=O)n1CC(=O)N[C@H]1CCO[C@@H]1c1ccnn1C 346193623 QHOQQPXCAWXJFR-LRDDRELGSA-N 332.360 0.242 0 50 ECAA CCOc1ccc(S(=O)(=O)N(C)C(C)(C)C(N)=O)cc1C(=O)O 414319855 ARAOOWSSAIPMET-UHFFFAOYSA-N 344.389 0.668 0 50 ECAA CC(=O)NCCC(=O)N1CC[C@@H](c2ccc3c(c2)OCO3)[C@H](O)C1 67756550 ZITGYTUPMLAFBB-UONOGXRCSA-N 334.372 0.618 0 50 ECAA CCN1CCC[C@H]1CN1C[C@@H](C(=O)NCc2cnn(C)c2C)CC1=O 247980813 HJPIYGJAOFGTJE-HOCLYGCPSA-N 347.463 0.678 0 50 ECAA COCCN1CC[C@@H](C(=O)N2CCN(C)C3(CCN(C)CC3)C2)C1 67677437 UBJKLEQCKPJXHA-MRXNPFEDSA-N 338.496 0.193 0 50 ECAA CCc1nc(CN(C)[C@H]2CCN(C[C@@H](O)Cn3cccn3)C2)no1 229297025 UZPFQHVCWPCLMD-UONOGXRCSA-N 334.424 0.396 0 50 ECAA O=C1NCCCC[C@H]1N1CCN(C(=O)Cc2ncccc2F)CC1 366231039 LYOBIHYUIFZWNG-OAHLLOKOSA-N 334.395 0.576 0 50 ECAA Cc1ccn2ncc(C(=O)N3CCNC[C@@H]3c3nccn3C)c2n1 261669968 GHCOWOOLMBTWAU-CYBMUJFWSA-N 325.376 0.558 0 50 ECAA C[C@H](C(=O)NCc1ccccc1)N1C(=O)NC2(CCNCC2)C1=O 77378048 MXRSQRFAERKQIW-GFCCVEGCSA-N 330.388 0.365 0 50 ECAA Cc1c(CN2CCN[C@@H](C(=O)O)C2)c(=O)n(-c2ccccc2)n1C 71721278 CMFKQYHZNUVQNG-OAHLLOKOSA-N 330.388 0.343 0 50 ECAA NS(=O)(=O)c1ccc(OCCN2CCO[C@H](C3CC3)C2)cc1 372265500 AAAKAXDEASJDBJ-HNNXBMFYSA-N 326.418 0.824 0 50 ECAA O=C1NCCN(CC(=O)N2CCOC[C@@H]2C2CC2)c2ccccc21 373139796 LXWXZLYNVZDJIO-MRXNPFEDSA-N 329.400 0.874 0 50 ECAA O=C(NCCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C1=O)Nc1nncs1 225274646 XFUFVCPNVNPOOT-UKKRHICBSA-N 347.400 0.857 0 50 ECAA Cn1ccnc1CN1CCN(c2cc(C3CC(O)C3)ncn2)CC1 223724779 FVWILYYAOBMVTK-UHFFFAOYSA-N 328.420 0.771 0 50 ECAA Cn1ccnc1[C@H]1CCCN(C(=O)CCn2ccc(=O)[nH]c2=O)C1 82106226 GCGAPUVHPTVONE-LBPRGKRZSA-N 331.376 0.066 0 50 ECAA CC(C)n1cc([C@]2(O)CCN(Cc3cnc(N(C)C)nc3)C2)nn1 285629570 WNGORAJRWUEOPA-INIZCTEOSA-N 331.424 0.809 0 50 ECAA COCCc1noc(CN2C[C@H]3CC[C@@H]2CN(S(C)(=O)=O)C3)n1 91915236 GYLVUQIKIJVPHR-VXGBXAGGSA-N 344.437 0.114 0 50 ECAA CS(=O)(=O)c1ccc(NC(=O)NC[C@@H]2CNCCOC2)cc1 97757793 MAOUVTNPDWTISR-NSHDSACASA-N 327.406 0.448 0 50 ECAA O=C(CCc1cc(O)no1)N[C@H]1C[C@H](c2nnc(CO)n2C2CC2)C1 244707997 KLQPDTHTDRPFET-MGCOHNPYSA-N 347.375 0.794 0 50 ECAA CC(C)(C)OC(=O)N1CC[C@]2(O)CCN(S(C)(=O)=O)C[C@H]2C1 253496013 YXOOSAMBJWWKIH-RISCZKNCSA-N 334.438 0.640 0 50 ECAA CCN1CCC[C@H]1CN1C[C@@H](C(=O)N(C)CCC(=O)O)CC1=O 299750565 NWPNOZUUTMFIMD-STQMWFEESA-N 325.409 0.252 0 50 ECAA CN(C)c1nc(-c2cccc(C(=O)NCCN3CCOCC3)c2)n[nH]1 299763976 ZUZOEVOMFNPKDD-UHFFFAOYSA-N 344.419 0.600 0 50 ECAA CCCn1cc(NC(=O)NCCS(=O)(=O)N2CCCC2)nn1 299772624 AMGCVZUDODJCOW-UHFFFAOYSA-N 330.414 0.235 0 50 ECAA CC(C)(C)c1ncc2c(n1)CN(C(=O)Cc1cc(=O)[nH][nH]c1=O)C2 299787725 XGERBZGGENGTIK-UHFFFAOYSA-N 329.360 0.236 0 50 ECAA CCn1nncc1CN1CC(N2CCO[C@@H](c3nc(C)no3)C2)C1 685941185 UOCYAGQXYRLEFQ-CQSZACIVSA-N 333.396 0.247 0 50 ECAA CCS(=O)(=O)CC(=O)N1CCC([C@H](C)N2CCN(C)CC2)CC1 952860237 IXBLHRBTCJMMLY-AWEZNQCLSA-N 345.509 0.296 0 50 ECAA Cc1cc(N)n(CC(=O)N[C@H]2CCOC[C@@H]2OCc2ccccn2)n1 1565512748 SYBGGASQJNPWIU-GJZGRUSLSA-N 345.403 0.659 0 50 ECAA CN1CCC(n2cc(NC(=O)[C@@H]3CCc4nnnn4CC3)cn2)CC1 634095784 HTNVCKQYWXDZAR-GFCCVEGCSA-N 344.423 0.728 0 50 ECAA CCO[C@@H](C)C(=O)OCCN1CCN(S(=O)(=O)C2CC2)CC1 170617182 XRSHOYJOLHKRKA-LBPRGKRZSA-N 334.438 0.064 0 50 ECAA O=C(O)/C=C/C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 134207 FCZQPDJNVDOUNL-AATRIKPKSA-N 340.357 0.287 0 50 ECAA Cc1cc(C[C@@H]2CN(C(=O)c3cn4cccnc4n3)C[C@H]2O)n[nH]1 1529158480 FBDQVGXKAPDUAA-BXUZGUMPSA-N 326.360 0.436 0 50 ECAA O=C(O)[C@H]1CN(C(=O)CCn2ccccc2=O)CC12CCOCC2 1800410583 WIZGKUBEAMJISX-CYBMUJFWSA-N 334.372 0.578 0 50 ECAA CN1CCC[C@H](C(=O)N2CCCN(c3ncccc3C(N)=O)CC2)C1 1800408303 CXXQBMUISSIQON-AWEZNQCLSA-N 345.447 0.561 0 50 ECAA CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)c1cccc(O)c1 1704301269 SFRQNUWRFYNBSM-AAEUAGOBSA-N 328.390 0.028 0 50 ECAA NC(=O)c1ccc(OCCCN2C[C@@H]3COCC[C@]3(CO)C2)cc1 1772704274 DNNWQNHYEQZCLD-CRAIPNDOSA-N 334.416 0.885 0 50 ECAA CN(CC(=O)N1CCCN(S(C)(=O)=O)CC1)Cc1ccncc1 1772818697 KCLKEBIETCODTG-UHFFFAOYSA-N 340.449 0.007 0 50 ECAA Cc1nncn1CCN1CC[C@](Cc2ccccc2)(C(=O)O)[C@@H](O)C1 1772702345 VRTGVXPJEKHOIF-FUHWJXTLSA-N 344.415 0.967 0 50 ECAA O=C1N[C@@H](CO)C(=O)N2C[C@@H](NCc3cc4ccccc4s3)C[C@@H]12 14755103 YXBCMVSOZBNEOX-UBHSHLNASA-N 345.424 0.451 0 50 ECAA CCOC(=O)Cc1nc([C@H](C)NC(=O)c2nc(Cl)n(C)n2)n[nH]1 1857707000 FKTXGKWGMUWJFF-LURJTMIESA-N 341.759 0.183 0 50 ECAA CNC(=O)NCC(=O)N1CCC2(CC1)C[C@H]2C(=O)N1CCCCC1 408085863 DIQMICXCXCENMU-ZDUSSCGKSA-N 336.436 0.557 0 50 ECAA Cn1cc([C@@H]2CN(C(=O)c3ccc4c(c3)OCO4)C[C@H]2CO)cn1 225527518 WQQUDLKKJPKONJ-KBPBESRZSA-N 329.356 0.997 0 50 ECAA COC1=C[C@]23CCCN2CCc2cc4c(cc2[C@]3(O)[C@H]1O)OCO4 238757921 MVSKPPYUIBULOR-BZSNNMDCSA-N 331.368 0.898 0 50 ECAA biogenic CNS(=O)(=O)NC1CCN(C(=O)NC[C@H]2CC=CCC2)CC1 253424303 DDGNULJAPZKVIY-LBPRGKRZSA-N 330.454 0.571 0 50 ECAA Cc1nc(C(=O)N2CCN(C3CCOCC3)C[C@H]2C)c(=O)[nH]c1C 373245458 UFNFRPQPROPOKW-LLVKDONJSA-N 334.420 0.712 0 50 ECAA C[C@H]1CCCN(C(=O)Cn2nnc(C(C)(C)S(C)(=O)=O)n2)C1 901742099 HJQABVUMLUYHAF-JTQLQIEISA-N 329.426 0.211 0 50 ECAA C[C@@H](NC(=O)Cn1cnnn1)C(=O)N1CCc2c(Cl)cccc2C1 933310495 ATRIRLIXGLDEEA-SNVBAGLBSA-N 348.794 0.416 0 50 ECAA CNC(=O)[C@H]1CN(C(=O)Cc2cccc(C(F)(F)F)n2)CCO1 935320620 FRTSFUDIMOEDOO-SNVBAGLBSA-N 331.294 0.616 0 50 ECAA COc1cc(C(=O)N2CCC[C@](O)(C(=O)N3CCCC3)C2)ncn1 935906211 BNOGIMPADGGJBL-MRXNPFEDSA-N 334.376 0.075 0 50 ECAA Cn1cc([C@H]2C[C@H](C(=O)O)CN(C(=O)CCn3cccn3)C2)cn1 868451690 HTMDXNJRRGOJNH-STQMWFEESA-N 331.376 0.724 0 50 ECAA O=C(O)c1cc(F)cc(S(=O)(=O)N2CC[C@@H](O)C(F)(F)C2)c1 871982154 CQZNHFWLNSOBFU-SNVBAGLBSA-N 339.291 0.915 0 50 ECAA CN1C[C@@H](NC(=O)c2n[nH]c3c2CCCC3)[C@H](c2cncn2C)C1 952886432 NYYFUXIXRZFPLT-TZMCWYRMSA-N 328.420 0.850 0 50 ECAA Cc1cc(C)c(CC(=O)N[C@H]2CCCCN(CC(=O)O)C2=O)c(O)n1 1875354362 FPHMCTBQOKNREG-ZDUSSCGKSA-N 349.387 0.528 0 50 ECAA CCS(=O)(=O)NCCn1cc([C@@H](O)c2ccc(Cl)cc2)nn1 881286687 BYKBDOQEDRBQRM-ZDUSSCGKSA-N 344.824 0.953 0 50 ECAA Cc1ccc(CC(=O)N2C[C@H](c3cnn(C)c3C)[C@@H](C(N)=O)C2)cn1 886085400 GKYSTTMQVMENJW-CVEARBPZSA-N 341.415 0.702 0 50 ECAA Cn1cc(CN2CC[C@@H](O)C2)c(C(=O)NC/C=C/c2cccnc2)n1 1775959941 IHKJZDYZBFQYIZ-LLCTXKFZSA-N 341.415 0.825 0 50 ECAA Cc1c(F)cc(C(=O)O)cc1S(=O)(=O)NC1(C(=O)O)CC(O)C1 1775999356 PGFCQJFTURCXNF-UHFFFAOYSA-N 347.320 0.089 0 50 ECAA C[C@@H](CO)N1CCCN(S(=O)(=O)c2ccc(C(=O)O)cc2)CC1 1776000059 ZNIVIISJTAJAMN-LBPRGKRZSA-N 342.417 0.462 0 50 ECAA COc1cc(C(=O)N[C@H]2C=CS(=O)(=O)C2)cc(OC)c1OC 1421082 ZAQAKNCXVUNILC-JTQLQIEISA-N 327.358 0.753 0 50 ECAA Cc1nc2c(C(=O)NCc3nc(-c4cnccn4)n[nH]3)ccnc2n1C 2100473760 XSURVSIUAKURJD-UHFFFAOYSA-N 349.358 0.782 0 50 ECAA Cc1cc(C)n(-c2ccc(C(=O)N[C@@H]3C=CS(=O)(=O)C3)cn2)n1 2325730462 BPCMPLCWVOYTFJ-CYBMUJFWSA-N 332.385 0.925 0 50 ECAA CC(=O)Nc1ccc(S(=O)(=O)Nc2c(C)nc(O)[nH]c2=O)cc1 368254 UQAQFKCJNZGIGI-UHFFFAOYSA-N 338.345 0.543 0 50 ECAA CN1CC[C@H](O)[C@H](C(=O)N2CCN(CCc3ccccc3)C(=O)C2)C1 2356138922 SSXAHGQNUANMKT-SJORKVTESA-N 345.443 0.213 0 50 ECAA CC[C@H]1COCCN1Cc1cn(C2CCN(C(=O)CN)CC2)nn1 23311342 XFSZCQBKDWQMQM-AWEZNQCLSA-N 336.440 0.011 0 50 ECAA CC(C)N1CCNC(=O)[C@H]1CC(=O)NCC1(Cn2cccn2)CC1 65387912 LPQLOXRXTYFMJJ-CQSZACIVSA-N 333.436 0.378 0 50 ECAA O=C([C@H]1CN(Cc2ccccc2)CCO1)N1CCOC[C@]12CCOC2 249603851 QYKQJDWNEPMHPP-IEBWSBKVSA-N 346.427 0.905 0 50 ECAA COc1ccc(Cc2noc(CN3CCNC(=O)CC3)n2)cc1OC 11662846 BPLJKZVSLPFBTL-UHFFFAOYSA-N 346.387 1.000 0 50 ECAA O=C(CCn1nnc2ccccc2c1=O)N[C@@H]1CCN2CCCC[C@@H]12 229383764 XDQBIOXGTPEDHZ-CVEARBPZSA-N 341.415 0.925 0 50 ECAA Cc1nnsc1C(=O)N1CCc2c(ncnc2N2CCOCC2)C1 71551629 ZOFWPOSYLDRAJE-UHFFFAOYSA-N 346.416 0.672 0 50 ECAA CCn1ccnc1CN1CCN(C[C@@H](O)Cn2cccn2)C[C@@H]1C 229527298 ICTYDDKPZFCCER-JKSUJKDBSA-N 332.452 0.667 0 50 ECAA CCOCc1nc2c(c(NCCNC(C)=O)n1)CCN(C(C)=O)CC2 72473015 VHBNHXCCSOTCSP-UHFFFAOYSA-N 349.435 0.508 0 50 ECAA CCn1cnnc1[C@@H]1CN(C(=O)Cn2nnc3ccccc32)CCO1 328619953 GNPDEMJOIGEYAM-AWEZNQCLSA-N 341.375 0.643 0 50 ECAA C[C@@H](c1nnnn1C)N(C)C[C@@H](O)CN1CCc2ccccc2CC1 253421644 ZTVNYNHDNQMDIW-WMLDXEAASA-N 344.463 0.665 0 50 ECAA CC(C)CCN1CC2(CCN(C(=O)[C@@H](N)[C@@H](C)O)CC2)OC1=O 77553841 NUQLZECEXTVQBM-OLZOCXBDSA-N 327.425 0.554 0 50 ECAA O=C(O)Cc1ccc(S(=O)(=O)NCC(=O)N2CCCC2)s1 157954580 YBTGDDWETAQQBU-UHFFFAOYSA-N 332.403 0.276 0 50 ECAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)Cn1nc2ccccn2c1=O 237975519 OMFOOQUMUUGIEE-AVGNSLFASA-N 344.371 0.740 0 50 ECAA CN(C)S(=O)(=O)CCC(=O)N1CCN(c2ccccc2)C(=O)C1 330911775 HOECQFNRRBVPRN-UHFFFAOYSA-N 339.417 0.143 0 50 ECAA CC1(C)NC(=O)N(CC(=O)N[C@@H]2CCc3ccccc3OC2)C1=O 374603698 RXHHRDPNKVVOOH-GFCCVEGCSA-N 331.372 0.827 0 50 ECAA 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CC(C)[C@H](C)NC(=O)[C@H]1CSCN1C(=O)[C@@H](C)n1cncn1 172005010 ABSPNGPZCPIMEX-QJPTWQEYSA-N 325.438 0.901 0 50 ECAA CC(=O)c1ccc(-c2cnn(CC(=O)Nc3cnn(C)n3)c2)nc1 48422268 SYMGOSHYEBSYDN-UHFFFAOYSA-N 325.332 0.915 0 50 ECAA Cc1cc(=O)[nH]c(NCCNC(=O)Cn2c(=O)oc3ccccc32)n1 220747089 PVPRYIGANICMKS-UHFFFAOYSA-N 343.343 0.215 0 50 ECAA CCOCc1ccccc1CNC(=O)CN1C[C@@H](C)[C@H](C(N)=O)C1 286124526 JQXAXSIKNZIUEK-CZUORRHYSA-N 333.432 0.893 0 50 ECAA O=C(NCCN1CCCOC1=O)N1CCN(Cc2ccccn2)CC1 426514840 PHDQIYJCJGPDEQ-UHFFFAOYSA-N 347.419 0.751 0 50 ECAA CC(C)N1CCNC(=O)[C@H]1CC(=O)NCc1ccc2c(c1)OCO2 20205390 SKNFHUMVJNPXTF-CYBMUJFWSA-N 333.388 0.630 0 50 ECAA Cc1nnnn1CC(=O)N1CC[C@@]2(CCCN(CC3CCC3)C2=O)C1 91643980 UZBKTKSMTWDXSJ-KRWDZBQOSA-N 346.435 0.623 0 50 ECAA CC(=O)N1CCN(C(=O)CCc2nc3ccc(F)cc3[nH]2)C[C@H](O)C1 97172902 YZLFUGGEDZDTBW-CYBMUJFWSA-N 348.378 0.686 0 50 ECAA Cc1cc2[nH]c(CN3CCN(c4ncccn4)CC3)cc(=O)n2n1 334159642 ZPCHAKFLRLAQMJ-UHFFFAOYSA-N 325.376 0.443 0 50 ECAA CC[C@@H](NCCN1CCNC1=O)c1cccc(S(N)(=O)=O)c1 290099991 XPGAELSGYYPMFF-CYBMUJFWSA-N 326.422 0.400 0 50 ECAA C[C@H](O)CN1CC2(CCC1=O)CCN(c1ncccc1C(N)=O)CC2 91624782 DMNZZQHCVNYAKJ-ZDUSSCGKSA-N 346.431 0.770 0 50 ECAA CCn1c(C)cc(C)c(C(=O)N2Cc3nc[nH]c3C[C@H]2C(=O)O)c1=O 96152573 QRHHWWOCXBRYMY-ZDUSSCGKSA-N 344.371 0.860 0 50 ECAA Cc1ccccc1[C@H]1CCN(CCNC(=O)Cn2nnnc2N)C1 243901152 AYTYNSLHVCGVAF-ZDUSSCGKSA-N 329.408 0.169 0 50 ECAA CC(=O)Nc1ccccc1NC(=O)CN1CCN(c2nc[nH]n2)CC1 244794774 QTGJBPDLQINTMA-UHFFFAOYSA-N 343.391 0.524 0 50 ECAA COc1cccc(C(=O)N(C)Cc2nncn2C)c1OCCCN 299800405 VHRUFWVBQIZTRM-UHFFFAOYSA-N 333.392 0.824 0 50 ECAA CNC(=O)[C@@H]1CC(=O)N(C2CN(C(=O)c3ccc(C)c(C)n3)C2)C1 685941800 HOKXNCXXKBSTQS-GFCCVEGCSA-N 330.388 0.117 0 50 ECAA O=C(CN1CCCC1=O)NCC1CCN(C[C@@H]2CCCOC2)CC1 952969575 OGBMHMMKVGHJIO-INIZCTEOSA-N 337.464 0.864 0 50 ECAA CC(=O)N[C@@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)c1scc2c1OCCO2 1565526124 RPFLFNWVPGRRHG-IELRGYKMSA-N 338.385 0.541 0 50 ECAA C[C@H](c1ccccc1)N1C[C@@H](C(=O)N2CCOC[C@H]2C(=O)O)CC1=O 268977104 KIJSNNRYGGVWEN-SNPRPXQTSA-N 346.383 0.908 0 50 ECAA CCCN1CCN(C(=O)CS(=O)(=O)NC)c2cc(F)ccc21 408517597 NBJXPHGKRDHXID-UHFFFAOYSA-N 329.397 0.938 0 50 ECAA COc1ccc(S(=O)(=O)N2CCCN(CC(=O)O)CC2)cc1C 275304057 NJUVJWOFRRRAKK-UHFFFAOYSA-N 342.417 0.785 0 50 ECAA CN(Cc1nnn(CC(=O)c2ccnn2C)n1)C(=O)c1ccccc1 655490242 ICQUYHZFOGEBGG-UHFFFAOYSA-N 339.359 0.562 0 50 ECAA Cc1ccccc1[C@@H]1[C@@H](C(=O)NCc2cc[nH]n2)OCC(=O)N1C 1529190682 LXOKWFJGFINKCH-CVEARBPZSA-N 328.372 0.933 0 50 ECAA CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)c1ccc(O)c(F)c1 1704299551 QSGVWVCYQYGNTK-CMPLNLGQSA-N 346.380 0.168 0 50 ECAA O=C1CC[C@H](N2C[C@H]3[C@@H](C2)C3(CO)CO)CN1Cc1ccccc1 1772806997 NSDZQRHYSMJCPE-YESZJQIVSA-N 330.428 0.710 0 50 ECAA CN1CCC2(CC1)CN(C(=O)[C@@H](N)Cc1ccc(O)cc1)CCO2 1772814142 LKTNYJLNZCWNGU-INIZCTEOSA-N 333.432 0.585 0 50 ECAA COC(=O)N[C@@H](C)C(=O)N1CCCN(C(=O)c2ccccn2)CC1 1772702135 QRIZUTLTIWUUPY-LBPRGKRZSA-N 334.376 0.501 0 50 ECAA COc1ccc(Cl)cc1S(=O)(=O)N1C[C@@H]2CNC[C@@]2(CO)C1 1772707960 ZKZACOINTMRCAC-HZMBPMFUSA-N 346.836 0.551 0 50 ECAA COC[C@@H](C)NC(=O)C1CCN(c2ncc(F)c(OC)n2)CC1 1772707412 ZLUOSYSMFAZPEE-SNVBAGLBSA-N 326.372 0.992 0 50 ECAA CNC(=O)C[C@H]1CN(C(=O)c2ncn3cc(Cl)ccc23)C[C@@H]1O 1857531645 IYRDOWMDGDIWJI-CABZTGNLSA-N 336.779 0.557 0 50 ECAA C[C@H]1COC[C@H]2CN(C(=O)COc3ccccc3C(N)=O)CCN12 1875245024 GVFATTFZFCIYQM-QWHCGFSZSA-N 333.388 0.096 0 50 ECAA O=C(Cn1nc2ccccn2c1=O)N1CC2(CCOCC2)[C@H]1C1CC1 329460714 PKFMHVMYOZSGMX-MRXNPFEDSA-N 342.399 0.914 0 50 ECAA CNC(=O)c1cc(O[C@H]2CCN(C(=O)Cn3cccn3)C2)ccn1 370978705 JPPQAFLILKKZNU-ZDUSSCGKSA-N 329.360 0.318 0 50 ECAA CN([C@H]1CCN(c2ccccc2)C1=O)S(=O)(=O)N1CCOCC1 265331924 WGRANOULKKBPSD-AWEZNQCLSA-N 339.417 0.301 0 50 ECAA Cc1c(C(=O)N2C[C@H]3COC[C@@H]2CN(C)C3)sc2[nH]cnc(=O)c12 1704314420 QGMBWOLPXFYEHQ-QWRGUYRKSA-N 348.428 0.696 0 50 ECAA O=C1NCC2(CCOCC2)[C@@H]1NCC(=O)N1CCc2ccccc21 933040472 AUONMFJSOVUKRY-MRXNPFEDSA-N 329.400 0.461 0 50 ECAA O=C(NCC1(CN2CCOCC2)CCCCC1)[C@@H](F)C1CNC1 864091897 IJEBWRGVJXLMNE-HNNXBMFYSA-N 327.444 0.943 0 50 ECAA CCc1nc(CNC(=O)COc2nn(C)c3nc(C)cc(C)c23)n[nH]1 1775986443 YSEQCZGDKRASLO-UHFFFAOYSA-N 343.391 0.961 0 50 ECAA COc1ccnc(N2CCN(c3ncc4ncn(C)c4n3)CC2)n1 2100541290 ZPBRDLAEIFFDEF-UHFFFAOYSA-N 326.364 0.489 0 50 ECAA CN(C)[C@@]1(C(N)=O)CCN(C(=O)[C@H](O)CCCc2ccccc2)C1 2325803620 QSRMXCGEDUVBRY-QAPCUYQASA-N 333.432 0.388 0 50 ECAA Cc1ccn(CCC(=O)N2CCC[C@]23CCCN(CCO)C3=O)n1 2356149521 FSLBWTBKFXJNCI-KRWDZBQOSA-N 334.420 0.558 0 50 ECAA CCS(=O)(=O)N1CCN(c2nc(C)cc(N3CCCC3)n2)CC1 9620962 MWQBPQVNCWZAMB-UHFFFAOYSA-N 339.465 0.857 0 50 ECAA O=C1CNC(=O)N1CCNC(=O)N1CCC[C@@H]1Cc1ccccc1 113403269 RPFCFLHFKIGAHY-CQSZACIVSA-N 330.388 0.955 0 50 ECAA O=C(CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2CC1)Nc1ncccc1O 101688141 SAKBLQDPMBVBMG-NUZBWSBOSA-N 327.340 0.923 0 50 ECAA CCc1nnc([C@@H]2CN(S(=O)(=O)C[C@H]3CCCCO3)CCO2)o1 328612748 PRYMRGUHWJSBPE-NEPJUHHUSA-N 345.421 0.904 0 50 ECAA CN(CCO)C(=O)C[C@@H]1C(=O)NCCN1Cc1cccc(F)c1F 72144506 AABPBUZJAZQGKV-CYBMUJFWSA-N 341.358 0.106 0 50 ECAA NC1=NC2(CCN(C(=O)c3ccccc3[C@H]3CCNC3)CC2)C(=O)N1 72122406 SYWJQTFAMYCCQZ-LBPRGKRZSA-N 341.415 0.183 0 50 ECAA O=C(CC1CC1)N1CCN(Cc2ccncc2)[C@@H]2CS(=O)(=O)C[C@@H]21 72418655 JUBJIKACAMRFMH-CVEARBPZSA-N 349.456 0.692 0 50 ECAA CC1(C)C(=O)NC(=O)N1CC(=O)N1CCOC[C@H]1c1ccccc1 364100412 TWWMYQISRKYDLB-ZDUSSCGKSA-N 331.372 0.917 0 50 ECAA CC(=O)NC1(C(=O)N2CCS(=O)(=O)C[C@@H](C)C2)CCCCC1 365344430 HWVYVRSVWPAIEP-LBPRGKRZSA-N 330.450 0.719 0 50 ECAA CCCN1CC2(CCN(C)CC2)C[C@@H]1C(=O)NCCCn1cncn1 72407909 WCIAOGWBDOKFRI-MRXNPFEDSA-N 348.495 0.981 0 50 ECAA O=C(CCn1cnnn1)N1CCN([C@@H]2CCc3ccccc3C2)CC1 72407894 YLQDDWPBSUNWTK-QGZVFWFLSA-N 340.431 0.765 0 50 ECAA CN(Cc1ncccn1)[C@@H]1CCN(C(=O)C2(O)CCSCC2)C1 372590113 CDQRFERRPHGUSG-CYBMUJFWSA-N 336.461 0.767 0 50 ECAA C[C@H](N)[C@@H]1CCCN(S(=O)(=O)c2ccccc2S(C)(=O)=O)C1 237479788 OCLFUGNXOQMDFK-NWDGAFQWSA-N 346.474 0.838 0 50 ECAA COC(=O)CNC(=O)N1CCN(c2ccc(OC)cc2)C(=O)[C@@H]1C 77456815 CUDBWGWQDYCMRE-NSHDSACASA-N 335.360 0.615 0 50 ECAA CN(C)C(=O)c1cccc(CCNC(=O)N[C@H]2CCCCNC2=O)c1 173906303 YCGCLILVEMPAJQ-HNNXBMFYSA-N 346.431 0.899 0 50 ECAA CN(C)C(=O)CO[C@@H]1COCC[C@H]1NC(=O)c1c(F)cccc1F 220029006 RWFBTEOVJNCDQW-CHWSQXEVSA-N 342.342 0.957 0 50 ECAA CO[C@@H]1C[C@@H](c2nc(C)n[nH]2)N(C(=O)Cn2ccc(C)cc2=O)C1 284708804 ZROMYLBDOHTWLZ-OLZOCXBDSA-N 331.376 0.572 0 50 ECAA Cc1cc(N2CCN(C(=O)[C@@H](N)Cc3c[nH]cn3)CC2)cc(C)n1 82139265 PWVJWIOKWPGRNH-INIZCTEOSA-N 328.420 0.640 0 50 ECAA CCCCNC(=O)CN1CCN(S(=O)(=O)c2cccnc2)CC1 330510177 BAKNZHZNTWUHLY-UHFFFAOYSA-N 340.449 0.304 0 50 ECAA Cn1cnc(S(=O)(=O)N2CCCN(C(=O)c3ccoc3)CC2)c1 238813257 AVIOTDSKAPUEIF-UHFFFAOYSA-N 338.389 0.550 0 50 ECAA O=C1CN(c2ccnc(C(=O)N3CCOCC(F)(F)C3)c2)CCN1 288852626 FFGIWIWCGXUKGN-UHFFFAOYSA-N 340.330 0.126 0 50 ECAA CC(C)N1CCNC(=O)[C@@H]1Cc1nc(C2CCCC2)nn1CCO 96165352 UBOIIFPEGPVIHT-AWEZNQCLSA-N 335.452 0.679 0 50 ECAA CCC[C@H]1CN(c2cc(N)ncn2)C[C@@H]1NC(=O)CN1CCCC1=O 91594965 FCLINXGFGHYCPW-STQMWFEESA-N 346.435 0.402 0 50 ECAA CCc1nn(C)c(NC(=O)NCCNc2nc(C)cc(=O)[nH]2)c1C 96131549 UXMXPMGQOHTAMF-UHFFFAOYSA-N 333.396 0.916 0 50 ECAA COc1ccc([C@@H](NC(=O)c2nccnc2O)[C@H]2C[C@@H](O)C2)cn1 244619960 FJHIVIYYFNIYDV-NTZNESFSSA-N 330.344 0.828 0 50 ECAA Nc1n[nH]c(CNC(=O)[C@@H]2CC(=O)N(c3ccc(F)c(F)c3)C2)n1 534575267 FSCRZEGSDJGNQF-SSDOTTSWSA-N 336.302 0.334 0 50 ECAA CNC(=O)[C@H]1CC(=O)N(C2CN(C(=O)C3(C(F)(F)F)CCC3)C2)C1 685942543 OPBNGAGDHQCIQM-VIFPVBQESA-N 347.337 0.524 0 50 ECAA CCN1CCCN(c2cc(N3CCCC[C@H]3CO)ncn2)CC1=O 302830906 KTXSACLXANEXLL-AWEZNQCLSA-N 333.436 0.886 0 50 ECAA CN(C)c1cccc(S(=O)(=O)N2CCN3CCOC[C@H]3C2)c1 408283804 PFYYRBIRZPGZDZ-CQSZACIVSA-N 325.434 0.458 0 50 ECAA C[C@@H](C(=O)N(C)C[C@@H]1C[C@H](F)CN1Cc1ccnn1C)n1cncn1 275612152 ISYIICQJNHFXFQ-YDHLFZDLSA-N 349.414 0.644 0 50 ECAA Cc1c(Cl)cccc1S(=O)(=O)NC[C@@H]1CC(C(N)=O)=NO1 170603672 UJMNDVOYRHDTHA-QMMMGPOBSA-N 331.781 0.557 0 50 ECAA Cc1[nH]ncc1C(=O)N1CCN(c2ncnc3c2cnn3C)CC1 194549820 XNCGYUHMBMAUKR-UHFFFAOYSA-N 326.364 0.357 0 50 ECAA O=C(c1cnc2ccccn2c1=O)N1CCOC2(CCNCC2)C1 1506396283 QTDAJUJYNOPDNA-UHFFFAOYSA-N 328.372 0.289 0 50 ECAA Cc1ccccc1[C@@H]1[C@@H](C(=O)N2CCCNCC2)OCC(=O)N1C 1529168842 NUTCHWWWUZDIQI-SJORKVTESA-N 331.416 0.715 0 50 ECAA O[C@H]1c2c(Br)cnn2[C@H](O)c2c(Br)cnn21 15020156 VZXLBHDPBVASAF-OCAPTIKFSA-N 349.970 0.996 0 50 ECAA in-vitro O=C1CO[C@]2(CCN(C3CCN(C(=O)c4ccncc4)CC3)C2)CN1 1772814459 ARVQAKXNKIMNBV-GOSISDBHSA-N 344.415 0.277 0 50 ECAA O=C(O)CCCN1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 116343532 IRFFYRPMJVHVFD-UHFFFAOYSA-N 330.381 0.997 0 50 ECAA COc1ccc(Cl)cc1CC(=O)N1C[C@@H](OC)C[C@H]1C(N)=O 344976206 JXDGOYKPEFFJFX-RYUDHWBXSA-N 326.780 0.992 0 50 ECAA CN(Cc1cnn(C)c1)C(=O)CN1CC[C@@H](Nc2ncccn2)C1 903025133 BFSONQHCZSCLQV-CQSZACIVSA-N 329.408 0.355 0 50 ECAA Cc1nn(CC(=O)N[C@H]2COC[C@H]2n2ccnn2)c2ncccc12 935898238 LZLHYUIFOQQNFS-QWHCGFSZSA-N 327.348 0.088 0 50 ECAA Cn1nc(CN2CCCC[C@@H](NC(=O)CCC3CC3)C2=O)n(C)c1=O 952851125 UYGQTTDWQZBYCD-CYBMUJFWSA-N 349.435 0.306 0 50 ECAA COC(=O)/C=C/CNC(=O)[C@@H]1[C@H](O)C(=O)N(C)[C@H]1c1ccccc1 1875273022 WAEHXZIMGIEJQD-SYCGSNSRSA-N 332.356 0.022 0 50 ECAA CN1C(=O)CC[C@H](CNS(=O)(=O)C2CC2)[C@H]1c1nccn1C 886085740 MSNHQFNQNKGVJO-MFKMUULPSA-N 326.422 0.411 0 50 ECAA Cc1nn(C)c2ncc(CN3CCC[C@](O)(c4cnn[nH]4)C3)cc12 886031784 XVEKQNDHDIOJQU-MRXNPFEDSA-N 327.392 0.878 0 50 ECAA COCn1nccc1S(=O)(=O)NCCn1ccc(C2CC2)n1 1775991103 PPINIIFTDUAWMD-UHFFFAOYSA-N 325.394 0.539 0 50 ECAA Cc1cc(C(=O)N2CCN(C(=O)c3ccnnc3C)[C@H](C)C2)n[nH]1 1775987718 JPXKKRHTZSYIGO-LLVKDONJSA-N 328.376 0.803 0 50 ECAA COc1ncc(CNC(=O)N2CCO[C@H](C(=O)O)C2)cc1Cl 1775988668 HLEYSLUQVQVGGE-JTQLQIEISA-N 329.740 0.739 0 50 ECAA N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O 1576166 LLEUXCDZPQOJMY-AAEUAGOBSA-N 333.344 0.472 0 50 ECAA endogenous,investigational CN1CCN(S(=O)(=O)N2CC[C@@H](c3ccccc3)[C@H](O)C2)CC1 2356143425 HCWINGPIOUNUOA-JKSUJKDBSA-N 339.461 0.329 0 50 ECAA Cc1cc(C(=O)O)c(F)c(S(=O)(=O)N2CCC[C@@H]2C(N)=O)c1 355468476 FDTMQPFHDJQALL-SECBINFHSA-N 330.337 0.471 0 50 ECAA CCNC(=O)c1cccc(NC(=O)CN[C@H](C)c2nnnn2C)c1 252484919 GKMLWMIEDQITMY-SNVBAGLBSA-N 331.380 0.249 0 50 ECAA COC(=O)[C@H]1SC[C@H]2C(=O)N(CCc3ccccc3)CC(=O)N21 3048314 LUBUPSZHTHZYPQ-SWLSCSKDSA-N 334.397 0.514 0 50 ECAA Nc1ccnc(N2CCN(Cc3cc(C4CC4)n[nH]3)C[C@@H](O)C2)n1 217361012 YTRPGSJEBUHBKE-CYBMUJFWSA-N 329.408 0.342 0 50 ECAA C=CC(=O)N1CCC(C(=O)NCC(=O)N(C)C)(c2ccccc2)CC1 490761361 WAMXFCNYOMWKRR-UHFFFAOYSA-N 343.427 0.937 0 50 ECAA Cn1ncc(N2CC[C@@H](CNC(=O)COc3ccccc3)C2)cc1=O 77355124 CGASAELPEAKMDL-AWEZNQCLSA-N 342.399 0.802 0 50 ECAA CN(C)c1ccncc1C(=O)N[C@H]1CCCN(c2ccnn2C)C1=O 332372798 FQUAEBDGZOLLSU-ZDUSSCGKSA-N 342.403 0.807 0 50 ECAA Cc1cc(N2CCN(C(=O)c3cnnn3C)CC2)nc(C(C)C)n1 281346834 VCQHWHRDSYMVBU-UHFFFAOYSA-N 329.408 0.999 0 50 ECAA Nc1nc(C2CC(N)C2)cc(N2CCN(C(=O)c3ccco3)CC2)n1 222291811 FNAAYIHGUJHKIQ-UHFFFAOYSA-N 342.403 0.819 0 50 ECAA Cn1nnc2c(C(=O)N3CCC[C@H]3CN3CCOCC3)ccnc21 283654817 QLTRUPYWHACAJL-LBPRGKRZSA-N 330.392 0.300 0 50 ECAA CC(C)N1C(=O)C[C@H](NS(=O)(=O)c2ccc(F)cc2F)C1=O 175718026 ZCHJWXYXFWLMHR-JTQLQIEISA-N 332.328 0.779 0 50 ECAA CO[C@H]1COC[C@@H]1NC(=O)CCCc1nc(-c2cccnc2)no1 426604668 WNMPMNUTXPYJJB-STQMWFEESA-N 332.360 0.984 0 50 ECAA CC(=O)N1CC[C@@H](C(=O)Nc2ccc(N3CCN(C)CC3)nc2)C1 175861611 MEMIQXHIZPGGEN-CQSZACIVSA-N 331.420 0.640 0 50 ECAA COc1ccnc(CN2CCn3nc(CNC(C)=O)cc3C2)c1OC 426563468 WFNJLNNBGAMYGQ-UHFFFAOYSA-N 345.403 0.947 0 50 ECAA O=C(NCc1n[nH]c(=O)[nH]1)[C@@H]1CCC(=O)N(CCc2ccccc2)C1 91548724 TWOLQIFXNJFCRK-CYBMUJFWSA-N 343.387 0.196 0 50 ECAA Cc1ccc2[nH]c(CN3CCN(S(N)(=O)=O)CC3)cc(=O)c2c1 91665811 WRHAQDYDNRDVAZ-UHFFFAOYSA-N 336.417 0.158 0 50 ECAA CN1C[C@@H](C(=O)NCCS(=O)(=O)c2ccc(F)cc2)CC1=O 97529059 RHPUVOBRJDZVBQ-JTQLQIEISA-N 328.365 0.194 0 50 ECAA CN1CCN(C[C@@H]2CN(C(=O)CCc3ccccn3)C[C@@H]2CO)CC1 95531369 ZZFAQPNBFYINOR-IAGOWNOFSA-N 346.475 0.329 0 50 ECAA O=C(NCc1nnc2n1CCC2)c1ccccc1N1CCOCC1 357501792 QCRPZZOZXIHZRD-UHFFFAOYSA-N 327.388 0.991 0 50 ECAA O=C(NCc1nc(O)n[nH]1)NC[C@H]1CCN(Cc2ccccc2F)C1 534644072 WNLXKQGYCVWWCS-LLVKDONJSA-N 348.382 0.971 0 50 ECAA CC1=NC2(CCN(C(=O)Cc3ccc4c(c3)OCO4)CC2)C(=O)N1 299780454 SGIHJADVSDUVLE-UHFFFAOYSA-N 329.356 0.867 0 50 ECAA Cc1cccn2c(CC(=O)N3CCc4c(c(CO)nn4C)C3)cnc12 299779719 GQTUQQLWHHSMLW-UHFFFAOYSA-N 339.399 0.996 0 50 ECAA CC(=O)c1c(C)nn(CCC(=O)N2CCN3C(=O)OC[C@@H]3C2)c1C 299786548 NGRNVUYBHZJYHQ-ZDUSSCGKSA-N 334.376 0.756 0 50 ECAA COc1cc2c(cc1CNC(=O)[C@@H]1CCC(=O)NC(=O)N1)OCCO2 299796039 MUGXPOFTVRPJEK-JTQLQIEISA-N 349.343 0.071 0 50 ECAA NC(=O)[C@H]1C(=O)N(CCCO)[C@@]23CCOC[C@@H]2[C@H]1c1ccccc1O3 828752916 PWIVPAXDYPHKIN-LJGDNWOOSA-N 346.383 0.222 0 50 ECAA biogenic NC(=O)CN1CCC[C@H](C(=O)N[C@H](c2cccnc2)C(F)(F)F)C1 952967608 IEVFYDNQUNODQS-WCQYABFASA-N 344.337 0.999 0 50 ECAA O=S(=O)(NC[C@H]1CNCCO1)c1ccc(Br)s1 134263863 CRLDPPBWCFTZHL-SSDOTTSWSA-N 341.252 0.777 0 50 ECAA Cc1cc(=O)c2ccccc2n1CC(=O)N1CCC([C@@H](O)CO)CC1 1772704925 JDYVVXFFDWOBJA-SFHVURJKSA-N 344.411 0.902 0 50 ECAA COC(=O)CN(C)C[C@@]1(O)CCCN(Cc2ccccc2F)C1=O 12026869 MKODKMZLSKQQPJ-KRWDZBQOSA-N 338.379 0.784 0 50 ECAA C[C@@H]1CN(C(=O)Cc2csc(NS(C)(=O)=O)n2)C[C@@H](C)O1 12324132 SHTMJYCMCKRYCF-RKDXNWHRSA-N 333.435 0.693 0 50 ECAA O=C(c1ccc(F)cc1)N1CCN2C(=O)[C@@H]3CSCN3C(=O)[C@H]2C1 14745125 NIPFZOBCONZEEH-OLZOCXBDSA-N 349.387 0.394 0 50 ECAA Cc1ccc(C(=O)N2C[C@H]3COC[C@]3(c3n[nH]c(=N)o3)C2)cc1F 1857529107 WOVJSYHRDRWENQ-MEDUHNTESA-N 332.335 0.970 0 50 ECAA Cc1nn(C)cc1S(=O)(=O)N[C@H]1C[C@H]2CO[C@@H](C3CC3)CN2C1 1857718254 QMJZPNCWYNDLMV-MELADBBJSA-N 340.449 0.259 0 50 ECAA CCNS(=O)(=O)[C@H]1CCN(c2nnc(C)n2C[C@@H]2CCOC2)C1 329645586 IRWLWJQEEVMWTQ-STQMWFEESA-N 343.453 0.141 0 50 ECAA COc1c(C)cc(S(=O)(=O)N2C[C@H]3C(=O)NC(=O)[C@H]3C2)cc1C 650199652 DTWKRVJUCTXKFC-TXEJJXNPSA-N 338.385 0.205 0 50 ECAA O=C1N[C@@H](C2CCN(C(=O)c3ccc4c(c3)CCNC4=O)CC2)CO1 1875285815 AGMQQCMZXDKEJU-OAHLLOKOSA-N 343.383 0.933 0 50 ECAA C[C@]1(C(=O)O)CN(C(=O)c2cc(C3CC3)nc3ccnn23)CCO1 1875278087 YEWFBOOHDKNZFT-MRXNPFEDSA-N 330.344 0.922 0 50 ECAA Cc1[nH]nc(C(=O)O)c1S(=O)(=O)N1CCC(n2cncn2)CC1 1875303211 CLWCHRBPTOCXAS-UHFFFAOYSA-N 340.365 0.034 0 50 ECAA COC(=O)[C@H]1CCN(C(=O)N2CCC[C@H](C(=O)N3CCCC3)C2)O1 1875321418 HTPASNMRBQZWGN-QWHCGFSZSA-N 339.392 0.620 0 50 ECAA CN(C)C/C=C/C(=O)NCc1cccc(CNS(C)(=O)=O)c1 1875376687 FTWXVQOQVOMRHA-VMPITWQZSA-N 325.434 0.470 0 50 ECAA Cc1cc(CNC(=O)C[C@@H]2CNC[C@H]2O)ncc1Br 1875401796 SBMBWZUSWGTWOD-BXKDBHETSA-N 328.210 0.739 0 50 ECAA CN1CCO[C@@H](CNC(=O)c2cc3n(n2)CCC3)[C@@H]1c1ccnn1C 886027115 GDYUAMNMJJCDTJ-HOTGVXAUSA-N 344.419 0.365 0 50 ECAA Cn1cnnc1C[C@@]1(O)CCCN(C(=O)c2cccc3[nH]ncc23)C1 886095311 REHUJASBJZDFCP-KRWDZBQOSA-N 340.387 0.901 0 50 ECAA NC(=O)c1cc(C(=O)N2CC[C@H]3[C@H](CCC(=O)N3C3CC3)C2)c[nH]1 2325715875 SMYIULXSILHAIB-YGRLFVJLSA-N 330.388 0.729 0 50 ECAA CC(C)NS(=O)(=O)c1ccc(OCC(=O)N2CCOCC2)cc1 470020 UHRSWVOHVBCTHT-UHFFFAOYSA-N 342.417 0.611 0 50 ECAA O=C(NC[C@@H](O)c1cccc(O)n1)c1ccc(Cn2cnnn2)cc1 2356155405 FUNBUKLQTNINHR-CQSZACIVSA-N 340.343 0.285 0 50 ECAA CCCn1nc(N(C[C@H]2CC(=O)N(C)C2)S(C)(=O)=O)cc1C 2356157185 DCZIOWCERQIMKX-LBPRGKRZSA-N 328.438 0.846 0 50 ECAA COCCNC(=O)[C@@H](C)N(c1ccc(OC)cc1)S(C)(=O)=O 4995375 WEUZIKWPMKVADP-LLVKDONJSA-N 330.406 0.612 0 50 ECAA CN(Cc1nnc(C2CC2)o1)[C@@H]1CCN(C[C@@H](O)Cn2cccn2)C1 221795033 GDNSFCGSCFHIOF-HUUCEWRRSA-N 346.435 0.711 0 50 ECAA O=C(NCc1cccnc1-n1ccnc1)c1ccc2[nH]c(=O)[nH]c2n1 225799610 NPZBVNJDOSUAIU-UHFFFAOYSA-N 335.327 0.762 0 50 ECAA CNC(=O)Cn1cc(NC(=O)[C@H](Cc2ccccc2)N(C)C)cn1 106909166 RPYBWSOFQZRLEV-HNNXBMFYSA-N 329.404 0.741 0 50 ECAA CS(=O)(=O)NCC(=O)N1CCO[C@H](c2ccc(Cl)cc2)C1 57047631 GHESQVOBWRWZBI-LBPRGKRZSA-N 332.809 0.789 0 50 ECAA CC(C)Cc1cc(C(=O)N2C[C@@H](N)C[C@H]2C(=O)NC(C)C)nc(=O)[nH]1 67491096 YROGPGDEQWYCHO-FZMZJTMJSA-N 349.435 0.035 0 50 ECAA CN1CCN(C2CCN(C(=O)c3cc(C4CC4)on3)CC2)C(=O)C1 252549630 RLIULUWUJPQUKZ-UHFFFAOYSA-N 332.404 0.931 0 50 ECAA CC(=O)N1CCN(Cc2cnn(C(C)C)c2)[C@H]2CS(=O)(=O)C[C@H]21 72447279 SJVJZYUHUKCDRR-LSDHHAIUSA-N 340.449 0.294 0 50 ECAA C[C@H]1CN(c2ccc3nnnn3n2)CCN1C[C@@H](O)c1ccccc1 229336658 QNHOATLWDABEAR-DZGCQCFKSA-N 339.403 0.763 0 50 ECAA O=C(NCCC(=O)N1CCOCC1)c1cnc(OCC2CC2)cn1 253416470 DGECOQPABXJJLG-UHFFFAOYSA-N 334.376 0.244 0 50 ECAA C[C@H](Oc1cccc(F)c1)C(=O)NCCN1CCS(=O)(=O)CC1 120304470 MVNVMDQZUSOAPA-LBPRGKRZSA-N 344.408 0.440 0 50 ECAA CN(C[C@@H]1CN([C@H]2CCCC[C@@H]2O)CCO1)c1nccn(C)c1=O 328628606 HJDLYOUHXMDIQY-ILXRZTDVSA-N 336.436 0.221 0 50 ECAA CNC(=O)c1cc(S(=O)(=O)NCc2ccc(C(=O)O)o2)cn1C 321270545 APBPWHYCFVGIPI-UHFFFAOYSA-N 341.345 0.154 0 50 ECAA Cn1ccc(N2CC[C@H](N3CCS(=O)(=O)C(C)(C)C3)C2=O)n1 366005829 IZECPISGJXOPEV-NSHDSACASA-N 326.422 0.034 0 50 ECAA C[C@@H](C(=O)N1C[C@@H](C(=O)O)[C@H](c2ccccc2)C1)S(C)(=O)=O 366302123 GXGICBCAMVGTLT-WCFLWFBJSA-N 325.386 0.746 0 50 ECAA CN(CC(=O)O)[C@H]1CN(C(=O)c2ccc(F)cc2Cl)C[C@H]1O 330841811 KAXJZZCULUVJPG-NWDGAFQWSA-N 330.743 0.681 0 50 ECAA CC(C)(O)CCc1ccc(C(=O)NCc2noc(C(N)=O)n2)cc1 72434317 HXFRYGYVLMNJSX-UHFFFAOYSA-N 332.360 0.802 0 50 ECAA O=C(O)C[C@@H]1COCCN1C(=O)c1ccnc(O[C@H]2CCOC2)c1 263319479 RADXQBUHOSXHLB-OLZOCXBDSA-N 336.344 0.565 0 50 ECAA NC(=O)[C@@]1(O)CCCN(C(=O)COc2ccc(F)c(Cl)c2)C1 285737065 YQPUOHYLFQHQKH-CQSZACIVSA-N 330.743 0.697 0 50 ECAA CN(C)C(=O)CO[C@@H]1COCC[C@H]1NC(=O)c1cccc(F)c1O 223283557 GTOSBUWGTVRSBL-CHWSQXEVSA-N 340.351 0.523 0 50 ECAA CC[C@@H](OC)C(=O)NCc1cc2n(n1)CCCN(S(C)(=O)=O)C2 82107685 FFWFNJKTFSXCGA-CYBMUJFWSA-N 344.437 0.090 0 50 ECAA CC1CCC(NS(=O)(=O)CC(=O)N2CC[C@@H](N)C[C@@H]2C)CC1 236691441 RXPSLMMTAKSPLM-YIFLHPOLSA-N 331.482 0.823 0 50 ECAA CN(C)c1ccc(CN2C[C@H](CO)[C@H](CN3CCC(O)CC3)C2)cn1 95369139 JCVFXBNQSDGPGT-IAGOWNOFSA-N 348.491 0.645 0 50 ECAA Cc1nn(CC(=O)NCCN2CCOC2=O)c(=O)c2ccccc12 91908383 CFSLNEURRVYZOU-UHFFFAOYSA-N 330.344 0.273 0 50 ECAA CN(C)C(=O)N1CCC(C(=O)NC[C@@H](CO)Cc2ccco2)CC1 97447074 KTQQCWZZBDHRCO-ZDUSSCGKSA-N 337.420 0.940 0 50 ECAA Cn1c(CO)nnc1[C@H]1C[C@H](NC(=O)CN2CCc3ccccc32)C1 244724496 MVESUZPIMSBUHB-HDJSIYSDSA-N 341.415 0.732 0 50 ECAA O=C1NC[C@@H]2[C@H]1CCCN2C(=O)c1cc(N2CCCCC2)ncn1 621991249 LLABHVOSKKHHPG-TZMCWYRMSA-N 329.404 0.818 0 50 ECAA C[C@]12CCC(=O)N1[C@H](C(=O)N1CCO[C@@H](CC(=O)O)C1)CS2 299741345 FDJHIUIACRARGS-BHDSKKPTSA-N 328.390 0.143 0 50 ECAA Cn1ncc2c(N3C[C@H](F)C[C@H]3C(=O)N3CCOCC3)ncnc21 299744091 QUKWHUOAEHSZHW-PWSUYJOCSA-N 334.355 0.139 0 50 ECAA CC(=O)N1CCCc2cc(S(=O)(=O)NCCn3cncn3)ccc21 534670042 YKZFGCUEVCETBQ-UHFFFAOYSA-N 349.416 0.556 0 50 ECAA COCCn1cncc1CN1C[C@@H](c2c[nH]nn2)[C@@H](CC(=O)O)C1 299791498 GAROYXJTOSOIQJ-WCQYABFASA-N 334.380 0.338 0 50 ECAA COCCn1cnnc1[C@@H](C)NC(=O)Cn1c(=O)oc2ccccc21 824466150 OGBAVDSYQRXETC-LLVKDONJSA-N 345.359 0.710 0 50 ECAA Cc1nc(CCNC(=O)CCC2=NNC(=O)CC2)nc2c1CCC2 952989837 DIOFUWHEWXZWHW-UHFFFAOYSA-N 329.404 0.979 0 50 ECAA CN1CCO[C@@H](CN(C)C(=O)c2ccccc2Cn2ccnn2)C1 633914009 FHECVZONUNETFX-OAHLLOKOSA-N 329.404 0.729 0 50 ECAA Cc1ccc(S(=O)(=O)NCCN2C[C@@H](C(=O)O)CC2=O)c(C)c1 170306564 YYOXHOKVNXMTHG-LBPRGKRZSA-N 340.401 0.515 0 50 ECAA NC(=O)C[C@]1(O)CCCN(C(=O)c2cccc(C(F)(F)F)n2)C1 643996484 HNDGYVKSNXJVQI-CYBMUJFWSA-N 331.294 0.943 0 50 ECAA C[C@@H]1CCNC(=O)[C@H]1NC(=O)NCCc1nn(C)c2ccccc12 193934384 PZIKNDVCEBDKJX-ABAIWWIYSA-N 329.404 0.940 0 50 ECAA C[C@@H]1CCNC(=O)[C@@H]1NC(=O)NCCc1nn(C)c2ccccc12 193934357 PZIKNDVCEBDKJX-IAQYHMDHSA-N 329.404 0.940 0 50 ECAA O=C(c1ccc(C(F)(F)F)nc1)N1CC[C@](O)(Cn2ccnn2)C1 671499025 NOBBFGSJVNDHPZ-CYBMUJFWSA-N 341.293 0.969 0 50 ECAA CCn1nccc1[C@H]1NC(=O)CC[C@@H]1NCc1cnc(N(C)C)n1C 656857660 NUGSOSXECGSYOA-BBRMVZONSA-N 345.451 0.812 0 50 ECAA CN(C)S(=O)(=O)C[C@H]1CN(c2nc3ccccc3o2)C[C@@H]1O 1616068817 FZNMTGPBUHNYJK-PWSUYJOCSA-N 325.390 0.516 0 50 ECAA CCN(CC)CCn1c(C)c(C)n2c3c(=O)n(C)c(=O)n(C)c3nc12 16490259 AJZQYSOOTMMXQK-UHFFFAOYSA-N 346.435 0.645 0 50 ECAA CNC(=O)Cn1cc(-n2ccnc2-c2cccc(OCCO)c2)cn1 1857683899 QLSDIGIYXCYZMG-UHFFFAOYSA-N 341.371 0.853 0 50 ECAA Cc1noc(-c2cccnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)n1 302018530 MTJBPYQBMINRLS-JTQLQIEISA-N 337.405 0.910 0 50 ECAA Cc1ccccc1[C@@H]1C[C@H]1C(=O)N1C[C@H](N(C)CC(=O)O)[C@H](O)C1 328606499 RUWNEOWFWZRURG-XUWVNRHRSA-N 332.400 0.687 0 50 ECAA COc1c(C)cc(S(=O)(=O)N2CC[C@H](O)[C@@H](C(=O)O)C2)cc1C 1704327761 JBFLKFJRRNNEIG-STQMWFEESA-N 343.401 0.768 0 50 ECAA O=C(CCCc1nn[nH]n1)N1CCn2nc(C(F)(F)F)cc2C1 834391358 CUGOVWJBWICOIA-UHFFFAOYSA-N 329.286 0.780 0 50 ECAA Cc1cn2c(=O)cc(CN3C[C@H]4CS(=O)(=O)C[C@H]4C3)nc2s1 933720585 WVYYZEUIZSDCEM-PHIMTYICSA-N 339.442 0.541 0 50 ECAA CC(C)NC(=O)CN1C[C@@H]2[C@@](C(F)(F)F)(CCCS2(=O)=O)C1 934786609 CEMWCSRZYRRHSQ-ZYHUDNBSSA-N 342.383 0.953 0 50 ECAA Cc1cc(=NC(=O)c2cc3n(n2)CCN(C)S3(=O)=O)c(C)c[nH]1 935014417 BOSBNCXMHUCOIJ-UHFFFAOYSA-N 335.389 0.203 0 50 ECAA CNCCN(C)C(=O)C(=O)N1CC[C@@H](c2ccc(OC)c(F)c2)C1 863769253 SRKAHYBRSQKGBC-CYBMUJFWSA-N 337.395 0.828 0 50 ECAA Cc1ccnc(N2C[C@H]3COCC[C@@]3(C(=O)N3CCC(O)CC3)C2)n1 952849565 NAMJLBJHFFSDJJ-KBXCAEBGSA-N 346.431 0.611 0 50 ECAA O=S(=O)(Cc1cccc2nsnc12)NC[C@H]1COCCO1 1875289623 FEXLMIZNXDFTBA-JTQLQIEISA-N 329.403 0.526 0 50 ECAA Nc1c(C(=O)N[C@@H](CO)Cc2c[nH]c3ccccc23)cnn1CCO 1875349183 PQCLJUXVUYIXST-GFCCVEGCSA-N 343.387 0.272 0 50 ECAA COC(=O)C[C@@H](NC(C)=O)C(=O)N(C)[C@@H](CC(C)C)C(=O)OC 888100781 SMENNIZHUMAZDF-NEPJUHHUSA-N 330.381 0.100 0 50 ECAA Cc1c(C[C@H](NC(=O)[C@]23OCCC[C@@H]2C3(F)F)C(=O)O)cnn1C 2325792610 YTNSMWRFSQNKPQ-COPLHBTASA-N 343.330 0.655 0 50 ECAA Cc1nn(C)c(C(=O)O)c1S(=O)(=O)N[C@@]12C[C@@H]1COC2(C)C 2325828269 CFFLCVNJNPJEGO-OQPBUACISA-N 329.378 0.273 0 50 ECAA NCc1cn(CC(=O)N=c2cc(CCc3ccccc3)[nH][nH]2)nn1 2325849785 AKYQKUMFXPZOGJ-UHFFFAOYSA-N 325.376 0.306 0 50 ECAA COCCN1C(=O)C[C@H](Nc2ccc(N3CCOCC3)cc2)C1=O 4317770 HKMXEBZRPQXHEY-HNNXBMFYSA-N 333.388 0.709 0 50 ECAA NCCc1nc(NCCn2nc(O)ccc2=O)c2ccccc2n1 65395645 BNZUUPHAQRQGII-UHFFFAOYSA-N 326.360 0.505 0 50 ECAA CC(C)N1CCCn2nc(C(=O)N3CCS(=O)(=O)CC3)cc2C1 65458742 IHSYSHLBDOOOSC-UHFFFAOYSA-N 340.449 0.368 0 50 ECAA 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CCCN1CCN(C(=O)c2ccc(S(N)(=O)=O)o2)C(C)(C)C1=O 275208378 JNNUXJUDZBWHMU-UHFFFAOYSA-N 343.405 0.400 0 50 ECAA O=C(O)C[C@@H](NS(=O)(=O)c1ccc2c(c1)CCCC2)C(=O)O 275321080 SHFVCNKHXYEIRG-GFCCVEGCSA-N 327.358 0.772 0 50 ECAA Cn1c(=O)n(Cc2nnnn2CC2CCOCC2)c2ccccc21 277582761 UQYBLNXPMFCGCF-UHFFFAOYSA-N 328.376 0.801 0 50 ECAA O=C(O)[C@H]1CS(=O)(=O)CCN1C(=O)c1ccc2c(c1)CCOC2 663054416 LQFUSFFETXFDJB-CYBMUJFWSA-N 339.369 0.083 0 50 ECAA COc1cc(C(=O)O)ccc1CCNS(=O)(=O)c1cnnn1C 646042670 SLQRKBKQEBCPHO-UHFFFAOYSA-N 340.361 0.043 0 50 ECAA CC[C@@](CNC(=O)[C@@H]1CCS(=O)(=O)N1)(C(=O)O)c1ccccc1 652073777 PXKQKJQRKAFRQL-WFASDCNBSA-N 340.401 0.227 0 50 ECAA CS(=O)(=O)Nc1nnc(NC(=O)[C@]2(C(=O)O)CC=CCC2)s1 653296303 MMQKHPDSPMIBJR-NSHDSACASA-N 346.390 0.659 0 50 ECAA NC[C@H](NC(=O)N[C@H]1CC(=O)N(c2ccccc2)C1)C(F)(F)F 655914198 KXKOLSUAUWVKNR-ONGXEEELSA-N 330.310 0.981 0 50 ECAA O=C(O)[C@H]1CN(C(=O)c2cc3ncccn3n2)CC12CCOCC2 1800414318 NBXQTXBZJWJNBP-LLVKDONJSA-N 330.344 0.683 0 50 ECAA O=C(CN1C[C@@H](O)[C@H](Cc2cnccn2)C1)NCc1cccs1 1704338784 ZNRHQAFTYGOTQT-IUODEOHRSA-N 332.429 0.690 0 50 ECAA O=C(O)[C@]12CCOC[C@H]1CN(Cc1cc(=O)n3cccc(O)c3n1)C2 1772710845 SNQTZBIBYNFLRD-DIFFPNOSSA-N 345.355 0.323 0 50 ECAA COc1ccccc1CN1CCN2C(=O)[C@@H](C(C)C)NC(=O)[C@H]2C1 14750033 LOCNOEZPFDYHHS-GDBMZVCRSA-N 331.416 0.862 0 50 ECAA O=C1NCCC[C@]12CN(c1cc(C(F)(F)F)ncn1)CC[C@H]2O 1857684166 BIVSTWMWBUPARG-ZWNOBZJWSA-N 330.310 0.963 0 50 ECAA CN1C(=O)CCCNCCCNC(=O)c2nn(C)c3c2C[C@H]1CC3 1857724183 PDCVPOXFUZQUHU-GFCCVEGCSA-N 333.436 0.239 0 50 ECAA O=C(N[C@H]1C[C@H]2CO[C@@H](CCO)CN2C1)c1cc(F)cc(F)c1 1857733326 FVIHIZABZAGPLN-KKUMJFAQSA-N 326.343 0.919 0 50 ECAA CN1C(=O)[C@H]2COC[C@@H]1CN(C(=O)c1cccc(-n3cnnc3)c1)C2 1875240858 IIRSRLLXGBWCRI-HIFRSBDPSA-N 341.371 0.197 0 50 ECAA Cc1ocnc1C(=O)N1C[C@@H]2CN(C3CCOCC3)C[C@]2(C(=O)O)C1 251974096 CTDLMHBWVLWTIC-SJCJKPOMSA-N 349.387 0.621 0 50 ECAA Cc1cc(C)c(CC(=O)N2CCS(=O)(=O)C[C@H]2C(=O)O)s1 901653928 UYECILMEFWRRBD-JTQLQIEISA-N 331.415 0.618 0 50 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CN(C)C[C@@H]1CN(C(=O)COc2ccc(F)cc2F)C[C@@H]1CO 91793104 FLDAYKRKKQKYCL-VXGBXAGGSA-N 328.359 0.972 0 50 ECAA CN(C)S(=O)(=O)CCNC(=O)c1cccc(-c2cnc(N)cn2)c1 426392774 JNSLPVKFSPFCRM-UHFFFAOYSA-N 349.416 0.347 0 50 ECAA O=C1CCC[C@H](C(=O)N(CCN2CCOCC2)[C@H]2CCSC2)N1 615094577 FRKZQDRCKCLTJE-UONOGXRCSA-N 341.477 0.321 0 50 ECAA COCCn1ccnc1[C@@H]1CCCN(C(=O)CCn2cnnn2)C1 95500165 ZYXQBXBGGLMETD-CYBMUJFWSA-N 333.396 0.312 0 50 ECAA COc1cccc([C@@H]2CN(C(=O)CN(C)C)C[C@H]2C(=O)O)c1OC 91644601 AVLSMGARGQAPPG-QWHCGFSZSA-N 336.388 0.892 0 50 ECAA O=C(Cn1ccnc1)N1CC[C@@]2(CCCN(C3CCOCC3)C2=O)C1 91616317 XLWLMYKZZOKEOD-SFHVURJKSA-N 346.431 0.903 0 50 ECAA COCCc1noc([C@@H]2CCCN(c3nc(N)nc4[nH]cnc34)C2)n1 96166508 ILZBYMMOWIYHJO-SECBINFHSA-N 344.379 0.891 0 50 ECAA Cc1nc(N)ncc1C(=O)N[C@H]1C[C@H](c2nnc(CN(C)C)n2C)C1 244778754 PVXIRBQTBUIRTE-XYPYZODXSA-N 344.423 0.233 0 50 ECAA Nc1c(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2)[nH]c(=O)[nH]c1=O 182126116 ROHHQXAVQWWKJH-VIFPVBQESA-N 349.778 0.308 0 50 ECAA CS(=O)(=O)NCCC(=O)N1CCC[C@@H](C(=O)c2ccccn2)C1 252478174 AFDSIONVGODVKT-GFCCVEGCSA-N 339.417 0.442 0 50 ECAA O=C(C[C@@H]1NC(=O)N(Cc2ccco2)C1=O)NCCn1cccn1 263588396 SXYXMXHQVHDGIQ-LBPRGKRZSA-N 331.332 0.103 0 50 ECAA O=C(NCC(=O)N1CC[C@@H]2OCc3cnnn3[C@H]2C1)c1ccccc1 299771986 YXGBKTWLZWTOOP-GJZGRUSLSA-N 341.371 0.380 0 50 ECAA CN(C[C@@H]1Cc2ccccc2CN1C)C(=O)CCc1nc(O)n[nH]1 1940197245 CDLMDDIFPURNCL-AWEZNQCLSA-N 329.404 0.958 0 50 ECAA CCn1ncnc1CN1CCC[C@H](CNC(=O)CCn2cccn2)C1 823609655 CWIGUFYTPVKAAW-OAHLLOKOSA-N 345.451 0.913 0 50 ECAA Cc1nnc2n1C[C@@H](CN(C)C)N(C(=O)CCn1ccccc1=O)C2 685941735 ATOUYYYQEIJGKM-CQSZACIVSA-N 344.419 0.111 0 50 ECAA CO[C@@](C)(C(=O)O)C(=O)NCc1ccccc1NS(C)(=O)=O 1350420440 ASNPCPVQRZPUNS-CYBMUJFWSA-N 330.362 0.164 0 50 ECAA Cc1cc(C(=O)O)cc(S(=O)(=O)N[C@H](C)Cn2cncn2)c1C 273767912 XDYMHDQHSRFIHS-SNVBAGLBSA-N 338.389 0.960 0 50 ECAA CN(C1CC1)S(=O)(=O)N1CCC[C@H]1C[C@@H](O)c1cnn(C)c1 766854661 WYTMFXGMDUCMNY-UONOGXRCSA-N 328.438 0.647 0 50 ECAA CCOC(=O)CN(C)C(=O)COC(=O)c1ccc2c(C=O)n[nH]c2c1 784458143 YVTBKPFFPCHALP-UHFFFAOYSA-N 347.327 0.554 0 50 ECAA C=CCN1C[C@]2(C(=O)O)CN(C(=O)NCc3cccs3)C[C@@H]2C1=O 217027922 GIPAXBZINZVEEW-WBMJQRKESA-N 349.412 0.989 0 50 ECAA Cc1ccc(CC(=O)N2CCCN(C(=O)CNC(N)=O)CC2)cc1 1529098405 DZHWNRIPQLTQSL-UHFFFAOYSA-N 332.404 0.267 0 50 ECAA NC(=O)C[C@]1(O)CCCN(C(=O)c2occc2Br)C1 644003247 DECHOXFWXLGGAY-GFCCVEGCSA-N 331.166 0.885 0 50 ECAA CC1(C)S[C@@H]2[C@H](NC(=O)[C@@H](N)c3ccccc3)C(=O)N2[C@@H]1C(=O)O 5497159 AVKUERGKIZMTKX-ICUOPCATSA-N 349.412 0.318 0 50 ECAA biogenic,investigational CN(C)CCNC(=O)COc1ccc2nc3n(c(=O)c2c1)CCC3 12296748 FAMXZWLRFLFMRH-UHFFFAOYSA-N 330.388 0.399 0 50 ECAA biogenic CN1C(=O)CCO[C@H]2CN(C(=O)c3cc(C(F)(F)F)n[nH]3)C[C@@H]21 1857722623 KIYZZCJVSBUGAA-IUCAKERBSA-N 332.282 0.500 0 50 ECAA CC(=O)c1c(C)nn(CCC(=O)N2C[C@H]3COC[C@@H](C2)C(=O)N3)c1C 1857738629 QKAPCOYAJMMDBJ-KGLIPLIRSA-N 348.403 0.066 0 50 ECAA CS(=O)(=O)CCN1CCN(C(=O)[C@@H]2COc3ccccc32)CC1 113170162 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HHOTVKSULLMSPM-KOHJWAIASA-N 330.450 0.804 0 50 ECAA Cn1c(=O)c2c(ncn2CC(=O)Nc2ccc(F)c(F)c2)n(C)c1=O 117217 XZJRBPXVNCUTIZ-UHFFFAOYSA-N 349.297 0.351 0 50 ECAA biogenic CC(C)(CO)CCCNC(=O)N[C@@H]1CCCC[C@@H]1NS(C)(=O)=O 225682770 ADZSCUBISXWUMS-OLZOCXBDSA-N 349.497 0.945 0 50 ECAA CCN1CCCN(C(=O)C(=O)Nc2ccc([C@H](C)N)cc2)CC1=O 415179723 DTOHOTURHZDLKO-LBPRGKRZSA-N 332.404 0.726 0 50 ECAA COc1ccc(C)cc1NC(=O)CNC(=O)[C@@]12CNC[C@@H]1CN(C)C2 65387682 PMISFWVTVBMEEY-FZKQIMNGSA-N 346.431 0.210 0 50 ECAA CN(C)c1nc(-c2ccccn2)nc2c1CCN(C(=O)CCO)C2 71759108 VTAIFWOXPGORHU-UHFFFAOYSA-N 327.388 0.872 0 50 ECAA Cc1n[nH]cc1CN1CCO[C@H](CN(C)c2nccn(C)c2=O)C1 328623921 CDKJBPKRYGFVTF-CQSZACIVSA-N 332.408 0.149 0 50 ECAA CCCS(=O)(=O)CC(=O)N1CCNC(=O)[C@H]1c1cccs1 253430221 IHSZOLKWFHGFJQ-GFCCVEGCSA-N 330.431 0.572 0 50 ECAA CC[C@@H]1C[C@H](C(=O)N2CCC[C@](O)(Cn3ccnn3)C2)CC(O)=N1 328923685 DAICDVDJHFUOKM-WOSRLPQWSA-N 335.408 0.777 0 50 ECAA Cc1cc(O)cc(=O)n1CC(=O)N1CCO[C@H](c2cnn(C)c2)C1 150900322 GPKJCSAMWFKITI-AWEZNQCLSA-N 332.360 0.196 0 50 ECAA O=S(=O)([C@H]1CCOC1)N1CCC(OCCN2CCCC2)CC1 329688864 CFGZLEAGTGCTAU-HNNXBMFYSA-N 332.466 0.682 0 50 ECAA COC(=O)c1csc(S(=O)(=O)NCC[C@@H](C)[S@@](C)=O)c1 360269228 WPAWMQAWVVBHAS-LILOVNGRSA-N 339.460 0.970 0 50 ECAA Nc1ccccc1CCC(=O)N1CCC[C@@H](N2CCNCC2=O)C1 365674773 KTKRYIJPEHBCGR-OAHLLOKOSA-N 330.432 0.624 0 50 ECAA CS(=O)(=O)N1CCCN(C(=O)c2cc(C(F)(F)F)n[nH]2)CC1 331561924 CRWPQMLNXWUOAC-UHFFFAOYSA-N 340.327 0.536 0 50 ECAA O=C(Cc1cc(=O)[nH][nH]c1=O)N[C@H]1[C@@H]2CCO[C@@H]2[C@@H]1C1CCCC1 219542941 WGLSEBQWPVABIX-MWNCTCPHSA-N 333.388 0.316 0 50 ECAA CC(=O)N1Cc2ccccc2C[C@H]1C(=O)N(C)CC1(O)CCOCC1 368732365 JHCZJOFWAPPDMG-KRWDZBQOSA-N 346.427 0.960 0 50 ECAA Cn1cc([C@@H]2C[C@H]2C(=O)Nc2ccc(C(=O)NCC(=O)O)cc2)cn1 372023699 WNDABZSFFSLIMJ-UONOGXRCSA-N 342.355 0.977 0 50 ECAA Cc1cc(N2CC[C@H](N3CCN(Cc4ccon4)CC3)C2=O)n(C)n1 173934939 BWBOZOIJQFBGLL-HNNXBMFYSA-N 344.419 0.640 0 50 ECAA O=C(O)[C@@H]1CC[C@H](C(=O)N2CCN(c3ccc4nccn4n3)CC2)C1 426678246 YESAIDABCVBPMQ-QWHCGFSZSA-N 343.387 0.879 0 50 ECAA CC(C)[C@@H]1CN(c2cncc(C(=O)N3CCOCC3)n2)C[C@H]1N(C)C 95497941 DWYCUIGJNKPRNV-GOEBONIOSA-N 347.463 0.971 0 50 ECAA CN(CCNCc1cc(=O)c2cccc(F)c2[nH]1)S(C)(=O)=O 95386586 YAYUPYPJBZMWQD-UHFFFAOYSA-N 327.381 0.648 0 50 ECAA CC(C)c1ccc(C(=O)NCCN2CCC[C@H](C(N)=O)C2)c(=O)[nH]1 97660342 NHEKFIYDWCAHOJ-LBPRGKRZSA-N 334.420 0.425 0 50 ECAA CCc1cc(N2CCN3CCN(C)C[C@H]3C2)nc(N2CCOCC2)n1 244723622 MEQTWSVOCBHFBM-INIZCTEOSA-N 346.479 0.312 0 50 ECAA O[C@H]1[C@H](O)CO[C@H](Nc2ccc(OC(F)(F)Cl)cc2)[C@@H]1O 245238206 GFWPUCQINPBNKT-YTWAJWBKSA-N 325.695 0.705 0 50 ECAA Cn1c(Cn2ccnc2)nnc1[C@H]1C[C@H](NC(=O)[C@H]2CCCO2)C1 244874967 XKEVBTVTTFOINX-JHJVBQTASA-N 330.392 0.601 0 50 ECAA CCOC(=O)[C@H]1CS(=O)(=O)CC12CN(C(=O)OC(C)(C)C)C2 258836942 QNAYPBUXUZAOJQ-SNVBAGLBSA-N 333.406 0.831 0 50 ECAA O=C(O)c1csc(CCNC(=O)[C@@H]2CCCN2C(=O)C2CC2)n1 299784609 KBZPZVHKDVMTJT-NSHDSACASA-N 337.401 0.901 0 50 ECAA CC(=O)N1CC[C@@](N)(C(=O)Nc2ccc(OCC(F)(F)F)nc2)C1 649290359 ACTLUVXFQUSQRM-ZDUSSCGKSA-N 346.309 0.911 0 50 ECAA COCCCN1CC[C@H](CNC(=O)c2nnc3nc(C)cc(C)n23)C1 670463506 YIOFZRWCLTZVEX-CQSZACIVSA-N 346.435 0.829 0 50 ECAA COC(=O)N1CCN(c2cnc(I)cn2)CC1 685943616 FTHDIKAHVAVOCR-UHFFFAOYSA-N 348.144 0.970 0 50 ECAA CCc1ccccc1C(=O)N[C@H]1CCN(CC(=O)N(C)C)C[C@@H]1O 1090529572 VJTIYTRVTYECDO-HOTGVXAUSA-N 333.432 0.502 0 50 ECAA COc1ccc(-n2cnnc2)cc1NC(=O)CCn1nnnc1C 952978758 CBALJRVIJNJUHL-UHFFFAOYSA-N 328.336 0.600 0 50 ECAA COCCc1noc([C@H]2CCCN(C(=O)Cn3nc(C)cc3N)C2)n1 952975797 YRCNVDPOBBTOPF-LBPRGKRZSA-N 348.407 0.752 0 50 ECAA CNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCC[C@H]2N(C)C)cn1 408514136 SOTYJLWJBFKOTM-CHWSQXEVSA-N 340.449 0.592 0 50 ECAA C[C@@H](C[S@](C)=O)N(C)S(=O)(=O)c1ccc2c(c1)oc(=O)n2C 185765298 BRELLJLHYBJTPT-FPVGNUTFSA-N 346.430 0.519 0 50 ECAA COc1cc(OC)cc(S(=O)(=O)N2CCOC[C@H]2C(=O)O)c1 274995050 FOAUFFIVUWFGJB-LBPRGKRZSA-N 331.346 0.178 0 50 ECAA Cc1ccc(S(=O)(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)O)c(C)c1 275213372 ZXTWIZYPYOAROU-LLVKDONJSA-N 347.414 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328.380 0.648 0 50 ECAA Cc1ccc2c(c1)CC[C@@H](C(=O)N1CCC3(CC1)NC(=O)NC3=O)O2 280053688 WHRVFHJTOLXPSU-AWEZNQCLSA-N 343.383 0.889 0 50 ECAA COc1cc([C@H](C)NC[C@@]2(O)CCN(C)C2)ccc1S(C)(=O)=O 330892730 YFVSMZRFYVRJGR-LRDDRELGSA-N 342.461 0.816 0 50 ECAA O=C1CC[C@H](NC(=O)c2cn3ccccc3n2)[C@@H]([C@H]2CCCO2)N1 368194087 HJAATIMWURHQSL-GHJWDPDVSA-N 328.372 0.890 0 50 ECAA O=C1NC(=O)N2CCN(C(=O)Cc3c(F)cccc3Cl)C[C@H]12 332604101 DLRJMPYGPBBXIK-LLVKDONJSA-N 325.727 0.784 0 50 ECAA O=C1CC2(CCN(S(=O)(=O)N3CCc4ccccc4C3)CC2)CN1 77439144 WSOSZOWOENZABB-UHFFFAOYSA-N 349.456 0.892 0 50 ECAA OCCCc1cn(C2CCN(c3ncnc4[nH]cnc34)CC2)nn1 48155889 ZJGOHZXWZKOOOJ-UHFFFAOYSA-N 328.380 0.711 0 50 ECAA O=C(NCCc1nc(=O)o[nH]1)[C@@H]1CCCN1C(=O)c1cccs1 241795504 RZSGYWKTBSQZKZ-VIFPVBQESA-N 336.373 0.388 0 50 ECAA Nc1ccnc(CNC(=O)[C@@H]2CCCN2C(=O)Cc2cccs2)n1 131694060 LEROUVAGBGJVKX-LBPRGKRZSA-N 345.428 0.970 0 50 ECAA COc1cccc(CN(C)C(=O)CN2CC[C@](O)(c3c[nH]nn3)C2)c1 284925268 VSNOMKPCUNDGMF-QGZVFWFLSA-N 345.403 0.365 0 50 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CSC[C@H](NC(=O)c1ccc(N2CCN(C)CC2)cc1)C(=O)O 426444713 VUPCOLXERMYGCX-AWEZNQCLSA-N 337.445 0.984 0 50 ECAA CNCc1nc(-c2csc(C)n2)nn1[C@H]1CCS(=O)(=O)C1 96138015 BSCROMLLRQBEJA-VIFPVBQESA-N 327.435 0.789 0 50 ECAA O=C1OCCN1CCn1ccnc1-c1cn(C2CCNCC2)nn1 91587092 KKHWKZGNXBNQTR-UHFFFAOYSA-N 331.380 0.518 0 50 ECAA COCCN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)c1cnc(C)nc1C)C2 97743210 XUEBPEVAJCJEMK-UONOGXRCSA-N 332.404 0.803 0 50 ECAA Cc1sc2nc(CNC(=O)C[C@H]3C(=O)N(C)C(=O)N3C)cn2c1C 91616539 OYBIGDSDLRAOKN-NSHDSACASA-N 349.416 0.911 0 50 ECAA O=C(Cn1cnnn1)N1CCC[C@@H](c2n[nH]c(-c3ccccc3)n2)C1 181362299 ZZCLJQDXVIUQHQ-CYBMUJFWSA-N 338.375 0.864 0 50 ECAA O=C(O)[C@@H]1COCCN1C(=O)c1nc(N2CCCC2)ncc1Cl 299751754 ROWRCIBNSAEGPR-JTQLQIEISA-N 340.767 0.656 0 50 ECAA Cc1oc2c(c1C(=O)N1CCC3(CC1)N=C(N)NC3=O)C(=O)CCC2 299764287 ZDVFNVKUWQCDIP-UHFFFAOYSA-N 344.371 0.526 0 50 ECAA CCCc1cc(C(=O)N2C[C@H]3COCC[C@@]3(O)[C@@H]3COCC[C@@H]32)[nH]n1 299796362 MAMJUKRPBAYHEV-QUCGAITQSA-N 349.431 0.991 0 50 ECAA O=C(O)C[C@H]1CN(C(=O)c2ccc3c(c2)OCO3)C[C@H]1c1c[nH]nn1 299764302 RJZIYLNNWKNSHX-WDEREUQCSA-N 344.327 0.864 0 50 ECAA CNC(=O)[C@H]1CC(=O)N(C2CN(C(=O)c3cccnc3C3CC3)C2)C1 685942227 MHHAYMWZVYINBY-LBPRGKRZSA-N 342.399 0.378 0 50 ECAA CC(=O)N1C[C@H](O)C[C@@H]1C(=O)Nc1cccc(-c2ncn(C)n2)c1 683379787 WNPJOJBCXXKPMC-ZIAGYGMSSA-N 329.360 0.402 0 50 ECAA COc1ccc(NC(C)=O)cc1S(=O)(=O)NC(C)(C)C(=O)O 738106695 SUZLEYVJKAGJJX-UHFFFAOYSA-N 330.362 0.795 0 50 ECAA CN1C(=O)NC2(CCN(C(=O)[C@@H](C(=O)O)C(C)(C)C)CC2)C1=O 663044360 ORXWIVDLVYPBNM-VIFPVBQESA-N 325.365 0.276 0 50 ECAA CNC(=O)[C@]1(COC)CCCN1C(=O)Cn1cc2ccccc2n1 643951218 ZFENJSYVZPLAFF-QGZVFWFLSA-N 330.388 0.790 0 50 ECAA COc1ccc(CCC(=O)N2CCC[C@](O)(CC(N)=O)C2)cc1F 643996003 UJIJDUHKKQPPOK-KRWDZBQOSA-N 338.379 0.996 0 50 ECAA Cc1nnc2n1C[C@@H](C(=O)NCc1cccc(N(C)C)n1)N(C)C2 644400587 HKVHVYQBUQCCJQ-ZDUSSCGKSA-N 329.408 0.178 0 50 ECAA CCNC(=O)N1CCN(Cc2nc3ccccc3c(=O)n2C)CC1 192896029 AHQIREFTIMIPNT-UHFFFAOYSA-N 329.404 0.781 0 50 ECAA CC(=O)N1CCC(C(=O)N2CCCN(Cc3n[nH]c(C)n3)CC2)CC1 989629383 BUNOFRTXLWISJL-UHFFFAOYSA-N 348.451 0.406 0 50 ECAA COCCCCN1CCN(c2nccc(N3CC[C@H](O)C3)n2)CC1 1506418362 HIMVGVNHKZUQJA-HNNXBMFYSA-N 335.452 0.596 0 50 ECAA O=C(COCc1ccccc1)N1CCCN(C(=O)c2cnn[nH]2)CC1 1529190370 HSBTZOXSYSSQMX-UHFFFAOYSA-N 343.387 0.696 0 50 ECAA CC(C)n1cc(NC(=O)[C@H]2[C@@H]3CC[C@@]4(CN(CCN)C(=O)[C@@H]24)O3)cn1 1529180986 OQVKNBBUKWPLKO-ZJOBFFGXSA-N 347.419 0.367 0 50 ECAA Cn1cnnc1SCC(=O)N[C@@H]1COC[C@H]1Cc1ccncc1 1529158836 NWFKULFCIBJMFX-CHWSQXEVSA-N 333.417 0.676 0 50 ECAA Cc1n[nH]c(C)c1CCNC(=O)C[C@@H]1C(=O)NCCN1CC(C)C 15074448 XYPALIWSNZUEPS-OAHLLOKOSA-N 335.452 0.532 0 50 ECAA C[C@H](C(=O)Nc1nccs1)N1CCN(C(=O)CN(C)C)CC1 127585403 AFNJNUJAWWPFMM-LLVKDONJSA-N 325.438 0.176 0 50 ECAA COc1ccc(S(=O)(=O)C[C@@H](C)C(=O)N2CC[C@H](N)C2)cc1 132316652 RDAJXHHLIDUHRX-NEPJUHHUSA-N 326.418 0.665 0 50 ECAA CN1C[C@@H](c2nc(Cn3cc(Br)cn3)no2)NCC1=O 904619312 YJTWYQRBGWNVOZ-QMMMGPOBSA-N 341.169 0.180 0 50 ECAA 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CCCc1ccc(CN2CC[C@H](NS(=O)(=O)N(C)C)[C@@H](O)C2)o1 1565512586 YCMIGBZLNQMFMW-GJZGRUSLSA-N 345.465 0.563 0 50 ECAA O=C(CCc1ccncn1)NS(=O)(=O)N1CCc2ccccc21 192431880 AXERUJKKHLSTEV-UHFFFAOYSA-N 332.385 0.833 0 50 ECAA CCN1CC[C@@H](CNC(=O)c2cc(S(N)(=O)=O)ccc2OC)C1 3203067 IAGQNKXBDXVWPR-NSHDSACASA-N 341.433 0.414 0 50 ECAA biogenic,in-man NS(=O)(=O)c1ccc(CNC(=O)[C@@H]2CCn3nccc3C2)cc1 1857698356 NBTYSFXYKKRVIM-GFCCVEGCSA-N 334.401 0.409 0 50 ECAA CC(C)[C@@H]1CO[C@@]23CCN(C(=O)CCCn4cncn4)[C@@H]2CC(=O)N13 1857713851 UOSTWYSAQBJTTH-VBQJREDUSA-N 347.419 0.643 0 50 ECAA COc1c[nH]c(C(=O)N2C[C@H](O)[C@H](Cc3ccncc3)C2)cc1=O 1857737814 DXFSFROOGWMTOE-DOMZBBRYSA-N 329.356 0.454 0 50 ECAA C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 230178728 ZJUSGUCIVIGPKI-UPJWGTAASA-N 333.388 0.741 0 50 ECAA Cc1c([C@H]2CNC[C@@H]2C(=O)NCCN2CCOC(C)(C)C2)cnn1C 649312006 BMHXTHNBQKYQKT-CVEARBPZSA-N 349.479 0.259 0 50 ECAA CCOc1ccccc1CN1CCN(C(=O)Cn2cnnn2)[C@@H](C)C1 252503540 VEZSXIJCKUNQAT-AWEZNQCLSA-N 344.419 0.805 0 50 ECAA COC(=O)[C@@H](C)CNC(=O)c1ccc(C[C@@H]2CC(=O)NC2=O)cc1 266847660 QKBXKKIYNASGOB-GXFFZTMASA-N 332.356 0.431 0 50 ECAA CC(C)(c1nnn(C[C@@H]2COc3ccccc3O2)n1)S(C)(=O)=O 901743583 WZNKHBMDMWXNLJ-SNVBAGLBSA-N 338.389 0.793 0 50 ECAA COC[C@@H]1CCCCN1C(=O)c1cc2n(n1)CCN(C)S2(=O)=O 822072637 DMLBOSYSQDVOSV-NSHDSACASA-N 342.421 0.158 0 50 ECAA Cc1ccc(N2CC[C@@H](NS(=O)(=O)c3ccn(C)n3)C2=O)cc1 827210480 RUGSBVYKCIBAHS-CYBMUJFWSA-N 334.401 0.812 0 50 ECAA Cn1nccc1CC(=O)N[C@@H]1CCC[C@@H]1Cn1cc(C(C)(C)O)nn1 952889767 LZOZDOCUPJJLMI-TZMCWYRMSA-N 346.435 0.767 0 50 ECAA COC(=O)c1ccc2c(c1)CC[C@H](NC(=O)Cn1cccn1)C(=O)N2 952995226 FJFKJVLTDRKIEK-AWEZNQCLSA-N 342.355 0.739 0 50 ECAA CNC(=O)C[C@@H]1CN(C(=O)NCc2ccnn2CC(C)C)C[C@H]1O 1875403246 UCKVGPPGLXJHFC-TZMCWYRMSA-N 337.424 0.178 0 50 ECAA CC1(C)CN(C(=O)[C@@H]2CCCO[C@H]2c2cc[nH]n2)CCS1(=O)=O 886055412 DSVTUEYCRBFKHP-DGCLKSJQSA-N 341.433 0.913 0 50 ECAA CO[C@@H]1CN(S(=O)(=O)c2cc(C)oc2C)C[C@H]1c1cn(C)nn1 886085186 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349.362 0.864 0 50 ECAA CN1C(=O)[C@@H](CC(=O)NCCN2CCc3ccccc32)N(C)C1=O 65508085 WYQPNEFCQLXWGY-CQSZACIVSA-N 330.388 0.448 0 50 ECAA CCOC(=O)[C@H]1C(=O)C(=O)N(Cc2ccccc2)[C@H]1C(=O)OCC 4722985 OJINIQXSRRIYKS-CHWSQXEVSA-N 333.340 0.709 0 50 ECAA COc1ccc(S(=O)(=O)NCCCN2CCOCC2)cc1F 20568015 UUFAYZLTNBSXJC-UHFFFAOYSA-N 332.397 0.835 0 50 ECAA C[C@@H](NC(=O)c1cn(CCN)nn1)c1ccc2c(c1)OCCCO2 77300141 KATUWNWKEUFGNQ-LLVKDONJSA-N 331.376 0.889 0 50 ECAA CN1C[C@]2(CCN(C(=O)c3sccc3S(N)(=O)=O)C2)OC1=O 72158347 QPDAVEPBRKFXAH-LBPRGKRZSA-N 345.402 0.062 0 50 ECAA O=C(O)C[C@H]1COCCN1C(=O)Cc1ccc(N2CCNC2=O)cc1 72454420 MPOWDIIKXLLFRG-AWEZNQCLSA-N 347.371 0.461 0 50 ECAA O=C(NC1CC1)c1noc([C@@H]2CCCN2C(=O)Cc2ccon2)n1 330150015 MXHGZQHSKRYIQS-NSHDSACASA-N 331.332 0.856 0 50 ECAA COCCN1C[C@@H](C(=O)Nc2cnn(C[C@@H]3CCCO3)c2)CC1=O 363617279 PDVIQADYHZYBSC-JSGCOSHPSA-N 336.392 0.496 0 50 ECAA COc1ccc(C)cc1S(=O)(=O)N1CCC[C@@](O)(CO)CC1 72143230 HSIWAOPGICKRSE-HNNXBMFYSA-N 329.418 0.902 0 50 ECAA O=C([C@H]1CCCN(Cc2cc3n(n2)CCCNC3)C1)N1CCOCC1 72161074 YXAFCNSDPKIQFU-HNNXBMFYSA-N 347.463 0.447 0 50 ECAA CC(=O)N1CCc2ccc(S(=O)(=O)N(C)CC(=O)O)cc2CC1 262191959 YWWXPIREDZOGHT-UHFFFAOYSA-N 340.401 0.339 0 50 ECAA COc1ccc(CNC(=O)CCN2C[C@H]3C[C@H](O)[C@H](O)C[C@H]3C2)cc1 72158762 UIPMTUKEVVQHDJ-YJEJQGFLSA-N 348.443 0.765 0 50 ECAA Cc1nnc2ccc(N3CCN(C(=O)[C@@H]4CCC[C@H]4N)CC3)nn12 237682078 NMARLCAJCCIEEB-CHWSQXEVSA-N 329.408 0.209 0 50 ECAA Cn1ncc(N2CC[C@@H](CNC(=O)C3(C)CCNCC3)C2)cc1=O 77472001 PMJVGLIIFIPRHJ-ZDUSSCGKSA-N 333.436 0.113 0 50 ECAA CC(C)c1nc(Cn2ncc(N3CCO[C@H](CCN)C3)cc2=O)no1 72174038 BRYPMORMMJVRDB-CYBMUJFWSA-N 348.407 0.352 0 50 ECAA CC[C@@]1(O)CCN(C(=O)c2cc3ccccc3n(C)c2=O)C[C@H]1O 72430799 VIANJFIMHBYBJV-CRAIPNDOSA-N 330.384 0.886 0 50 ECAA Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCC[C@H]1C(N)=O 241897345 TXWPTXWLIMBESJ-NSHDSACASA-N 346.430 0.037 0 50 ECAA CNC(=O)C[C@H]1C(=O)NCCN1Cc1cc(=O)c2cc(C)ccc2[nH]1 91663792 FAVMOPDFSLEZMF-HNNXBMFYSA-N 342.399 0.273 0 50 ECAA COc1ccc([C@@H](NC(=O)CN2CCOC2=O)[C@H]2C[C@@H](O)C2)cn1 244659483 HDKCMDNLVONBCQ-TYNCELHUSA-N 335.360 0.471 0 50 ECAA OC1CN(c2nc([C@H]3CCOC3)cc(N3CCc4n[nH]cc4C3)n2)C1 299760958 QELBEJIQUXZUCO-NSHDSACASA-N 342.403 0.447 0 50 ECAA NC(=O)CN1CCC[C@H](c2nc(Cc3cccs3)nn2CCO)C1 828776977 OORHEDMIYOHUHH-LBPRGKRZSA-N 349.460 0.587 0 50 ECAA CCNS(=O)(=O)[C@@H]1CCN(C(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)C1 408085612 BGBUCRSKZBKOBD-NWDGAFQWSA-N 345.465 0.174 0 50 ECAA Cc1c(CC(=O)N2CCOC[C@H]2C(=O)O)nnn1-c1ccccc1 268982529 NXYFTTFIYZSUBE-AWEZNQCLSA-N 330.344 0.430 0 50 ECAA C[C@H]1CN(C(=O)Cc2[nH]ccc2C(=O)N2CCO[C@@H](C)C2)CCO1 635163179 GAMFYRCPOAIARH-STQMWFEESA-N 335.404 0.665 0 50 ECAA C[C@H](Cn1cccn1)NC(=O)N1CCC(CN2CCN(C)CC2)CC1 683373606 GDCXYXDNGFVOOK-MRXNPFEDSA-N 348.495 0.941 0 50 ECAA CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N[C@H]1CCCN(c2ccccc2)C1 193274349 ZIVISEYPVNTYHZ-USXIJHARSA-N 331.416 0.753 0 50 ECAA Cn1nccc1[C@@H]1CCCN(C(=O)NC[C@@H]2CCS(=O)(=O)C2)C1 1647182577 GTYOEVWRCOQQLX-QWHCGFSZSA-N 340.449 0.744 0 50 ECAA CN1CCN(CCOc2ccccc2CNCc2nc(O)n[nH]2)CC1 1506421970 MINNAJJQAIBYEX-UHFFFAOYSA-N 346.435 0.426 0 50 ECAA CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)c1cc(O)ccc1F 1704299186 ODJVEJZIMGMQGV-TVQRCGJNSA-N 346.380 0.168 0 50 ECAA NC(=O)Cc1nc(CCc2ccc3c(c2)OCO3)n([C@H]2CCOC2)n1 1772806921 HLVSTVKPZWPPMB-LBPRGKRZSA-N 344.371 0.781 0 50 ECAA C[C@@H]1C(=O)N2CCC[C@@H]2CN1C(=O)c1ccc(S(N)(=O)=O)cc1 1772707121 WEVCCYWKSOYUFQ-ZYHUDNBSSA-N 337.401 0.169 0 50 ECAA CCn1cc(O[C@@H]2CN(S(=O)(=O)c3ccccc3)C[C@H]2O)cn1 625308942 BLQGORMESISHSE-HUUCEWRRSA-N 337.401 0.716 0 50 ECAA CN1CCN(C(=O)c2nnc(O)nc2O)C[C@H]1Cc1ccccc1 671927570 HZGXBKAVBVKXDW-GFCCVEGCSA-N 329.360 0.282 0 50 ECAA CNC(=O)CN1CCN(C(=O)[C@@]2(c3ccccc3)CCCO2)CC1 934193553 JHFVJCQIRWVWQQ-SFHVURJKSA-N 331.416 0.583 0 50 ECAA Cn1cc(O[C@@H]2COC[C@@H]2NCc2ccc3c(c2)nnn3C)cn1 862493560 AWCSAFFSRQXKPS-GOEBONIOSA-N 328.376 0.638 0 50 ECAA Cn1nccc1C(=O)N[C@@H]1CCC[C@@H]1Cn1cc(C2(O)CCC2)nn1 952890388 ZZZRZUBYXZMYPV-CHWSQXEVSA-N 344.419 0.982 0 50 ECAA COc1ccc(-n2cc(C(=O)N3CC[C@]4(CNCCO4)C3)nn2)cc1 1875287631 SGNLNGHYWUSXPL-KRWDZBQOSA-N 343.387 0.480 0 50 ECAA CC[C@H](C(=O)N1CCC[C@](OC)(C(=O)O)C1)N1C(=O)CCC1=O 1875345787 JBXRZCQWKBVGPN-MEBBXXQBSA-N 326.349 0.006 0 50 ECAA Cn1cnnc1C[C@@]1(O)CCCN(C(=O)c2ccc3nc[nH]c3c2)C1 886094973 IZZZFWULPVAJSM-KRWDZBQOSA-N 340.387 0.901 0 50 ECAA C[C@H]1CN(C[C@@H](O)CNS(=O)(=O)c2cccc(Cl)c2)CCO1 2325782682 VRDYZANKWPGJQL-AAEUAGOBSA-N 348.852 0.700 0 50 ECAA C[C@H]1Cn2nc(C(=O)NCc3ccc(-n4ccnn4)cc3)cc2CN1 2325788961 VVJKLSMDDYRVEU-LBPRGKRZSA-N 337.387 0.886 0 50 ECAA N[C@@H](CN1CCCC1=O)C(=O)N1CCCN(c2ncccc2F)CC1 2325814026 GBPBLDNTVGJSKC-AWEZNQCLSA-N 349.410 0.209 0 50 ECAA CC(=O)N[C@]12CCOC[C@H]1CN(C(=O)c1cc3c(cn1)OCCO3)C2 2325849585 URZLCGHABZASAJ-PXAZEXFGSA-N 347.371 0.220 0 50 ECAA Cc1ccc2c(=O)cc(C(=O)N[C@@H]3CCC(=O)NC3=O)oc2c1C 1857798091 ONAHHOGMGQOVNF-LLVKDONJSA-N 328.324 0.945 0 50 ECAA O=C(O)[C@@H]1CCCN1C(=O)CCn1c(=O)[nH]c2ccccc2c1=O 6909517 SLDLKTUSBDILKI-LBPRGKRZSA-N 331.328 0.156 0 50 ECAA biogenic COC(=O)C1=NN[C@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@H]12 100619257 NHDWNKCESAHHKM-DTWKUNHWSA-N 341.245 0.696 0 50 ECAA Cc1nn(C)c(Cl)c1S(=O)(=O)NCC[C@@H]1CN(C)CCO1 67833629 VSAWOIWHFBVWJH-SNVBAGLBSA-N 336.845 0.381 0 50 ECAA NC(=O)c1cncc(N2CCN(Cc3ccncc3Cl)CC2)n1 67851028 ANAOKBOJTZFVBY-UHFFFAOYSA-N 332.795 0.946 0 50 ECAA CC(=O)NCC1CCN(C(=O)CN2C(=O)OC(C)(C)C2=O)CC1 23145763 XBPUTZIWRXNDOE-UHFFFAOYSA-N 325.365 0.119 0 50 ECAA CCc1ncc(NS(=O)(=O)c2cccc(S(N)(=O)=O)c2)cn1 351974612 JCKZEYORELLHOO-UHFFFAOYSA-N 342.402 0.487 0 50 ECAA CCN(C)S(=O)(=O)NCC[C@@H]1CN(Cc2ccco2)CCO1 67772176 SSSFSMQIYIQKRM-CQSZACIVSA-N 331.438 0.657 0 50 ECAA O=C(COC[C@@H]1CCCO1)N1CCC(C(=O)O)(n2ccnc2)CC1 72476034 PIVJDYGVCHMIPE-ZDUSSCGKSA-N 337.376 0.481 0 50 ECAA O=C1CNC[C@H](C(=O)NCc2ccc(C(=O)N3CCCCC3)cc2)N1 71730473 VGQOGMRMSGVWGM-OAHLLOKOSA-N 344.415 0.017 0 50 ECAA Cc1cc(C)n2c(C(=O)NCc3cccc(-c4nnn[nH]4)c3)nnc2n1 218323031 MGOVIMAMPKYFND-UHFFFAOYSA-N 349.358 0.851 0 50 ECAA C[C@H](Sc1nncn1C)C(=O)N1CCOC[C@H]1[C@@H]1CCCO1 329378446 MPBJHBYMUIADDD-SRVKXCTJSA-N 326.422 0.702 0 50 ECAA Cc1cn(CC(=O)N2CC(c3nc4ccccc4[nH]3)C2)c(=O)[nH]c1=O 216471206 VIJPJVDLLUIQCA-UHFFFAOYSA-N 339.355 0.347 0 50 ECAA Cc1nnnn1CCC(=O)N1CCC(OCc2ccccn2)CC1 219804679 BLBVAOWHRGGLNI-UHFFFAOYSA-N 330.392 0.974 0 50 ECAA CS(=O)(=O)N1CCC[C@H]1C(=O)N1CCC(c2ncc[nH]2)CC1 72419590 MGSDVRYSXCNCAS-LBPRGKRZSA-N 326.422 0.540 0 50 ECAA O=C(CN1CC[C@@](O)(c2c[nH]nn2)C1)N1CCCc2ccccc21 284798006 MDLUJLIKBFWCHI-KRWDZBQOSA-N 327.388 0.677 0 50 ECAA CCn1ncnc1[C@H](NC(=O)CN1C(=O)NC(C)(C)C1=O)C1CC1 222799562 GQKWSPGSNWSACH-LLVKDONJSA-N 334.380 0.196 0 50 ECAA Cc1nc(CC2CCN(C(=O)N[C@H]3CCC(=O)N(C)C3)CC2)no1 426519213 HOICWIPGWRREEW-ZDUSSCGKSA-N 335.408 0.963 0 50 ECAA COc1ccccc1CN1CCN(CCS(=O)(=O)N(C)C)CC1 285947086 JUQZRGKBACMEHZ-UHFFFAOYSA-N 341.477 0.704 0 50 ECAA CN(Cc1cnn(-c2ccccc2)c1)C(=O)c1cn(CCN)nn1 91782110 LVQYKIMYXDEBEP-UHFFFAOYSA-N 325.376 0.695 0 50 ECAA CC(C)CS(=O)(=O)CCNC(=O)[C@H]1CCCCn2nnnc21 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O=C1CO[C@H](C(=O)NCCc2cc[nH]n2)[C@@H](c2ccccc2Cl)N1 2100477566 BJWGMFZSASLQML-CABCVRRESA-N 348.790 0.978 0 50 ECAA CCn1[nH]c(C)nc1=NC(=O)[C@H]1CCCN(S(=O)(=O)CC)C1 412865674 ZKDMOEPLJBDHNZ-NSHDSACASA-N 329.426 0.029 0 50 ECAA CNS(=O)(=O)c1ccc(CN2CCC[C@H](CNC(C)=O)C2)cc1 67867192 VAFKSCKWUFQZDD-OAHLLOKOSA-N 339.461 0.943 0 50 ECAA CN(C)C(=O)[C@@H]1CCCN1CC(=O)NC[C@H]1COc2ccccc2O1 248044750 WBXRLOOWSOWVDB-KBPBESRZSA-N 347.415 0.495 0 50 ECAA CCNC(=O)N1CCN(C(=O)c2cccc(-n3cccn3)n2)CC1 135354056 ILGUZDPJZUGXJW-UHFFFAOYSA-N 328.376 0.755 0 50 ECAA O=C(Cn1nc2n(c1=O)C(=O)N(c1ccc(F)cc1)C2)N1CCCC1 65363650 PXELCGCSPVMUJU-UHFFFAOYSA-N 345.334 0.795 0 50 ECAA Cc1ccccc1OC1CN(C(=O)C[C@@H]2C(=O)N(C)C(=O)N2C)C1 65489106 XOGLIRRZQQAKMS-CYBMUJFWSA-N 331.372 0.867 0 50 ECAA Cc1ccc(N2CCC[C@H](N(C)C[C@@H](O)CN3CCOCC3)C2)nn1 229554037 WJDDNEJDVSANSA-DLBZAZTESA-N 349.479 0.379 0 50 ECAA CC[C@@]1(O)CCN(C(=O)CCc2nc(-c3ccncc3)no2)C[C@H]1O 72410684 FIUWXBVLZWIOOZ-CXAGYDPISA-N 346.387 0.799 0 50 ECAA CCN(Cc1nnc(C)o1)[C@H]1CN(c2ncc(Cl)cn2)C[C@H]1O 328629840 IRTXGLWPCPYUNZ-NWDGAFQWSA-N 338.799 0.893 0 50 ECAA O=C(Cn1cnc2ccccc21)N1CCN(CCn2cncn2)CC1 219047328 XYILFBVUYLISOJ-UHFFFAOYSA-N 339.403 0.472 0 50 ECAA Nc1ccc(C(=O)NC2CCN(C(=O)N3CCOCC3)CC2)cn1 216266760 KEJWLBKBDCFQHH-UHFFFAOYSA-N 333.392 0.310 0 50 ECAA CCn1cc(NC(=O)Cn2cc(-c3cc(C)nc(N)n3)cn2)nn1 48179657 OHHWZSPYJCDUNW-UHFFFAOYSA-N 327.352 0.481 0 50 ECAA NS(=O)(=O)c1cnn(CC(=O)N2CCSC[C@H]2C2CCC2)c1 333101730 CJOOPEOWWOUPOZ-LBPRGKRZSA-N 344.462 0.275 0 50 ECAA Cc1nc(CCNC(=O)Cn2cc(C)c(=O)[nH]c2=O)sc1Cl 220680124 GTXIJAYETPBRFF-UHFFFAOYSA-N 342.808 0.622 0 50 ECAA O=C(O)[C@H](CC1CC1)NS(=O)(=O)c1cccc2c1OCCO2 285033112 IPBXSEWVTHIGGL-JTQLQIEISA-N 327.358 0.989 0 50 ECAA COc1cccc(-c2nc(C(=O)NC[C@@](C)(O)C(=O)O)c(C)[nH]2)c1 263400261 GILZTMUUIDULHU-MRXNPFEDSA-N 333.344 0.959 0 50 ECAA C[C@H](C(=O)N1CCN(c2nc[nH]n2)CC1)N1CCc2ccccc2C1 426440347 RYXDWXXUZIXCKK-CQSZACIVSA-N 340.431 0.900 0 50 ECAA Cn1cc(C(=O)N2C[C@H](O)[C@@H](N3CCOCC3)C2)c2ccccc21 223150665 VHNOFYYGKOTERZ-IRXDYDNUSA-N 329.400 0.696 0 50 ECAA COC(=O)N1CCN(C(=O)[C@@H]2CC(=O)N(Cc3ccncc3)C2)CC1 95501649 WVYRAZHEYBHCRY-CQSZACIVSA-N 346.387 0.341 0 50 ECAA COCCN1CC[C@@H](C(=O)N2CCC(c3cc(=O)[nH]cn3)CC2)C1 97681880 PQHAMHJQLYFQIJ-CQSZACIVSA-N 334.420 0.444 0 50 ECAA COc1ncccc1C(=O)N[C@H]1CN(S(C)(=O)=O)C[C@@H]1C1CC1 91973722 ZXOZQGCQFIDMSY-OLZOCXBDSA-N 339.417 0.490 0 50 ECAA CC(C)Cc1cc(C(=O)N2CCN(CCn3cncn3)CC2)on1 91818076 JIAQMWSEHXLXLP-UHFFFAOYSA-N 332.408 0.923 0 50 ECAA CN1CCN(C)[C@H](CC(=O)NCCc2nc(-c3cccnc3)no2)C1 299800238 XHPYGOUGSZSQSJ-CQSZACIVSA-N 344.419 0.426 0 50 ECAA CN1CCC(Oc2ccc(NC(=O)NCc3n[nH]c(=O)[nH]3)cc2)CC1 299761049 QTKHZBHGNPIYAF-UHFFFAOYSA-N 346.391 0.893 0 50 ECAA COCCOc1cccc(NC(=O)NCCN(C)S(C)(=O)=O)c1 299796435 NFXMXBGKVDJTQS-UHFFFAOYSA-N 345.421 0.725 0 50 ECAA CN1Cc2ccccc2C[C@@H]1C(=O)NCC1CCS(=O)(=O)CC1 299803119 XKBVLDPCOPVSNM-MRXNPFEDSA-N 336.457 0.984 0 50 ECAA O=C(CN1CCCC1)NCCNS(=O)(=O)c1ccc(Cl)cc1 827831969 QQNBUTRYWIVLPM-UHFFFAOYSA-N 345.852 0.830 0 50 ECAA COc1ccc2c(c1)CCN(C(=O)[C@H]1CCCN(CC(N)=O)C1)C2 824751141 GHPYOXYDIISCBT-HNNXBMFYSA-N 331.416 0.777 0 50 ECAA CN1CCc2cc3c(c(OCC(=O)N4CCOCC4)c2C1=O)OCO3 827968225 BBQVAQXMIAASEE-UHFFFAOYSA-N 348.355 0.281 0 50 ECAA biogenic CCC[C@H]1CN(c2cc(N)nc(N3CCOCC3)n2)C[C@@H]1C(=O)O 1565512374 BSGGMFGXCBAWKR-RYUDHWBXSA-N 335.408 0.833 0 50 ECAA Cc1ncc(C(=O)N[C@H]2CCCN(c3nccn(C)c3=O)C2)c(C)n1 275826924 VDJXSTZBWWTXJA-ZDUSSCGKSA-N 342.403 0.586 0 50 ECAA C[C@@H]1CN(C(=O)NC[C@H](n2cncn2)C(F)(F)F)C[C@H]1N(C)C 637638320 DZOXBZPRGACFQZ-MXWKQRLJSA-N 334.346 0.973 0 50 ECAA O=C(O)Cn1cc(S(=O)(=O)N2CCOC3(CCCC3)C2)cn1 645977243 NYSFJAXFJLLPIA-UHFFFAOYSA-N 329.378 0.301 0 50 ECAA C[C@H](C(=O)N(C)C)S(=O)(=O)N1CCN(C)CC12CCCCC2 193998797 IYTSNPWLWFKDGX-CYBMUJFWSA-N 331.482 0.743 0 50 ECAA Cc1ccc(F)c(CN2C[C@@H](O)[C@H](CS(=O)(=O)N(C)C)C2)c1F 1529139294 OWXDMJUYYVWXCN-SMDDNHRTSA-N 348.415 0.957 0 50 ECAA CN1CCOC[C@@H]1c1nc(C2CCOCC2)nn1-c1ccnn1C 1772808863 CZVFKELLPPBIGU-CYBMUJFWSA-N 332.408 0.898 0 50 ECAA CCc1nnc(N2C[C@@H](C(=O)N3C[C@@H]4CC[C@H](C3)[C@@H]4N)CC2=O)s1 1857715955 PIOJZWMLOSSFGU-BBGACYKPSA-N 349.460 0.649 0 50 ECAA Cn1ncc(Cl)c1C(=O)N[C@H]1C[C@H]2CO[C@@H](CCO)CN2C1 1857726812 DIWZQVAAXLJRPV-DCAQKATOSA-N 328.800 0.027 0 50 ECAA COCC(C)(C)N(C)C(=O)[C@@H]1CC[C@@H](C(=O)O)N1c1cnn(C)c1 630672766 QIMAPHZZKDUDSI-STQMWFEESA-N 338.408 0.726 0 50 ECAA COc1cccc([C@@H]2C[C@H](O)CN2S(=O)(=O)c2cnn(C)c2)c1 225715056 IQXOGZNOXAFWLZ-WFASDCNBSA-N 337.401 0.925 0 50 ECAA CN(CC(=O)O)[C@H]1CN(C(=O)c2cc3cc(F)ccc3o2)C[C@H]1O 328607111 UODXFPQPNRULMO-NWDGAFQWSA-N 336.319 0.774 0 50 ECAA Cc1nc2cc(O)nn2c(C)c1CCC(=O)N1CCO[C@H](C(=O)O)C1 647219520 KLOAPNDGQXKAIT-LBPRGKRZSA-N 348.359 0.296 0 50 ECAA CN1CCO[C@@H]2CN(C(=O)c3cc(Cl)ccc3-n3cnnn3)C[C@@H]21 151809120 QWULPKJUHUPMON-UONOGXRCSA-N 348.794 0.471 0 50 ECAA COc1ccc(F)cc1CN1CCN(C(=O)[C@H]2COCCN2)CC1 163673949 QGAQBUGPOYGYFQ-OAHLLOKOSA-N 337.395 0.467 0 50 ECAA CCCc1cc(N2C[C@H]3COC[C@@H](C2)CN3CC(=O)O)nc(C)n1 1704331068 JUPBVSSDYCIFSL-HIFRSBDPSA-N 334.420 0.959 0 50 ECAA COCCN1C(=O)N[C@H]2CN(Cc3c(F)cncc3F)CC[C@H]21 930707861 NTZDVYVDQWZVPH-UONOGXRCSA-N 326.347 0.974 0 50 ECAA Oc1cc(CN2CCO[C@@H](CN3CCOCC3)C2)nc(C2CC2)n1 1875281630 MGONWMUWORKMLF-HNNXBMFYSA-N 334.420 0.593 0 50 ECAA Nc1ccc(S(=O)(=O)N2CCC3(CC2)CS(=O)(=O)C3)c(F)c1 1875274597 LMEWHCSAIHXJEO-UHFFFAOYSA-N 348.421 0.607 0 50 ECAA CNC(=O)COc1cccc(OC[C@H]2C[N@]2Cc2cnn(C)c2)c1 1875381225 NVOWNADBQBVFHC-SZNDQCEHSA-N 330.388 0.808 0 50 ECAA Cn1cc(CC(=O)N[C@@H]2C[C@H](Cn3cc(Cl)cn3)C[C@H]2O)cn1 1875402145 CPBUBBCZMLXEPK-ZLKJLUDKSA-N 337.811 0.768 0 50 ECAA O=C(N[C@@H]1C[C@H](Cn2ccnc2)C[C@H]1O)c1ccn2nncc2c1 1875402772 KYICTTNXSVXRGU-NILFDRSVSA-N 326.360 0.495 0 50 ECAA COCc1ccc(C(=O)N2CCN([C@@]3(C(=O)O)CCOC3)CC2)cc1 886096613 GHBKAKMKRMRPBI-SFHVURJKSA-N 348.399 0.835 0 50 ECAA CN(C)c1ncc(CN2CCC[C@@](O)(Cc3nncn3C)C2)cn1 886088641 MCPWCOQMYHDGMN-MRXNPFEDSA-N 331.424 0.241 0 50 ECAA COC(=O)C[C@@H](C)S(=O)(=O)NC(=O)Cc1ccc2c(c1)CCO2 1775998251 CSMKJAAVMIZOTB-SNVBAGLBSA-N 341.385 0.562 0 50 ECAA Cc1cccc(Cn2c(SCCO)nc3c2c(=O)[nH]c(=O)n3C)c1 2344777 MSGGCOKSMZFRJC-UHFFFAOYSA-N 346.412 0.864 0 50 ECAA biogenic,in-vitro COC(=O)[C@@H]1C[C@@H](N(C)C)CN1C(=O)c1ccc2ccn(C)c2n1 2356139254 UXLABPPNHZIECP-OCCSQVGLSA-N 330.388 0.891 0 50 ECAA O=C(NCc1coc(-c2ccccc2)n1)c1n[nH]c(-n2cnnc2)n1 2356166751 MEWFAJJDPBAGKT-UHFFFAOYSA-N 336.315 0.970 0 50 ECAA Cc1cc2[nH]cc(C(=O)N(CCN(C)C)C[C@@H]3CCCO3)c(=O)n2n1 102370931 PZQDCTYSRWDALL-ZDUSSCGKSA-N 347.419 0.514 0 50 ECAA CN[C@@H]1CCCN(C(=O)[C@H](Cc2cccc(OC)c2)NC(C)=O)C1 133778065 UPPOKOWHCUVAMZ-WBVHZDCISA-N 333.432 0.953 0 50 ECAA CCOC(=O)N1CCN(C(=O)C2=C(C)NC(=O)N[C@@H]2C(C)C)CC1 65431601 NFQKWYBQUPIWKO-CYBMUJFWSA-N 338.408 0.899 0 50 ECAA COCCCn1c(CN2CCSCC2)cnc1S(C)(=O)=O 23339817 WHEFFONAJCXBCT-UHFFFAOYSA-N 333.479 0.872 0 50 ECAA Cc1cccc(C)c1OC1CN(C(=O)CCn2ccc(=O)[nH]c2=O)C1 67654278 QDCRFDZFPKZYJV-UHFFFAOYSA-N 343.383 0.833 0 50 ECAA CCCn1cc(C(=O)N[C@@H](C)c2nnc3n2CCNCC3)c(C)n1 67817579 GXCJKZMDUXBITL-LBPRGKRZSA-N 331.424 0.830 0 50 ECAA CC(=O)N1CCN([C@@H]2CN(CC(=O)N3CCCCC3)C[C@@H]2C)CC1 229307191 WZWSEQRNUKMNGF-DOTOQJQBSA-N 336.480 0.483 0 50 ECAA COCCN(Cc1c(C)nn(C)c1C)C(=O)[C@H]1NCCc2[nH]cnc21 72419286 WAVGJOZXHFYWCN-INIZCTEOSA-N 346.435 0.622 0 50 ECAA Cn1cc([C@@H](NC(=O)CCc2ccc(=O)[nH]n2)[C@H]2C[C@@H](O)C2)cn1 219334876 SOUOTFZCDOQYPV-NKFCBESUSA-N 331.376 0.064 0 50 ECAA CN(C)C[C@]1(O)CCN(C(=O)CN2CCOc3ccccc3C2)C1 72167069 LXHJPSLLVGOSOZ-GOSISDBHSA-N 333.432 0.406 0 50 ECAA O=S(=O)([C@@H]1CCCN(CCn2ccnc2)C1)N1CCOCC1 253425758 OLOQMJLMCVXTSJ-CQSZACIVSA-N 328.438 0.010 0 50 ECAA CC(=O)N1CCN([C@@H]2CN([C@@H](C(N)=O)c3ccccc3)C[C@H]2C)CC1 257366380 VMOAYEMXAJVRJE-ZTFGCOKTSA-N 344.459 0.697 0 50 ECAA CC(=O)N1CSC[C@H]1C(=O)N(C)C1CCN(c2cnccn2)CC1 364603278 SDCHHRDSEWWTDP-AWEZNQCLSA-N 349.460 0.825 0 50 ECAA CS(=O)(=O)N1CCC(C(=O)N2CCCC[C@H]2CCC(=O)O)CC1 261781919 RYSAXQJMJCDMIM-ZDUSSCGKSA-N 346.449 0.904 0 50 ECAA O=C1CCC(C(=O)N2C[C@H](O)C[C@H]2CO)=NN1Cc1ccccc1 372472638 MNJAVCHBPVGQNX-UONOGXRCSA-N 331.372 0.119 0 50 ECAA CNC(=O)Cn1cnc(NC(=O)C[C@H]2CCOc3ccccc32)n1 172669761 ICEFYZGCMSPKKZ-LLVKDONJSA-N 329.360 0.919 0 50 ECAA CCS(=O)(=O)N1CCN(c2cc(-n3ccc(C)n3)ncn2)CC1 82230331 PHDATJIOGPUIHG-UHFFFAOYSA-N 336.421 0.442 0 50 ECAA CC(=O)NC[C@H]1CN(CC(=O)NC23CC4CC(CC(C4)C2)C3)CCO1 605152696 GZCZWQFUNNHGNM-WCWCZOKXSA-N 349.475 0.908 0 50 ECAA CN1C(=O)C[C@@H](NS(=O)(=O)Cc2ccccc2)[C@@H]1c1ccnn1C 284397169 AWFRGZIEOUCWRZ-CZUORRHYSA-N 348.428 0.812 0 50 ECAA O[C@@]1(Cn2ccnn2)CCCN(c2cc(N3CCCC3)ncn2)C1 284748619 NQUMORFGYOSACG-INIZCTEOSA-N 329.408 0.700 0 50 ECAA CC(=O)N1CCC(N2CCN(Cc3nccnc3C)C[C@@H](O)C2)CC1 97694830 XDAFYEUOXXXLAA-QGZVFWFLSA-N 347.463 0.274 0 50 ECAA O=C(Cn1nnnc1CN1CCCC1)N[C@@H]1COc2ccccc21 95523533 VYVXGAQYOBEXAW-CYBMUJFWSA-N 328.376 0.519 0 50 ECAA COc1ccc([C@H]2CN(C(=O)C3(C(N)=O)CC3)C[C@@H]2NC(C)=O)cc1 91320749 GJABVEXCCHCHQW-CABCVRRESA-N 345.399 0.391 0 50 ECAA CCN(Cc1noc(C)n1)C(=O)CN1CC2(CCNCC2)OC1=O 95503862 GJWWTQUSHMTEFH-UHFFFAOYSA-N 337.380 0.301 0 50 ECAA CNc1nc(C(=O)N2CCC3(CC2)NC(=O)C[C@@H]3C(=O)O)cs1 91519073 AHKRSMBKKGAIOB-MRVPVSSYSA-N 338.389 0.380 0 50 ECAA CN(CCCS(=O)(=O)N(C)C)Cc1nc(-c2ccccn2)no1 244619954 FJCWBNCDFBYJGT-UHFFFAOYSA-N 339.421 0.845 0 50 ECAA COc1ccc(OC)c(C=c2sc3nc(=O)c(C)nn3c2=O)c1 254316715 KQMPANQZCSDQIP-UHFFFAOYSA-N 331.353 0.385 0 50 ECAA O=C(CCN1CCN(c2nccnc2O)CC1)Nc1cccnc1 253536422 FITFZAFQIZIDIM-UHFFFAOYSA-N 328.376 0.728 0 50 ECAA COC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc(=O)c(OC)c[nH]1 604404522 IGOKVBWAGCBIEP-ZDUSSCGKSA-N 330.340 0.898 0 50 ECAA biogenic CS(=O)(=O)N1CCC[C@H](C(=O)NC2(C(=O)O)CCCCCC2)C1 299742484 JNQBWPBFRFCWMG-LBPRGKRZSA-N 346.449 0.952 0 50 ECAA COc1cccc(N2CCN(CCn3cc[nH]c3=O)[C@H](C)C2=O)c1 252495646 OUYPVAISRJUDQM-CYBMUJFWSA-N 330.388 0.922 0 50 ECAA CN(CCNc1cc([C@@H]2CCOC2)ncn1)Cc1c[nH]nc1C(=O)O 299796148 OCNCTTIXRKHVLE-LLVKDONJSA-N 346.391 0.946 0 50 ECAA CNc1ncc(C(=O)N[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)cn1 584895600 ZNXOQIXHUYNFPA-GFCCVEGCSA-N 329.335 1.193 0 50 ECAA CCn1ncnc1CN1CCC[C@H](CNC(=O)c2[nH]cnc2C)C1 823609865 VCBQUQFLXFUDBS-CYBMUJFWSA-N 331.424 0.972 0 50 ECAA Cc1nn[nH]c1C(=O)NC12C[C@@H]3C[C@H](C1)CC(n1ncnn1)(C3)C2 670437081 AUVYAIUGVAZQOI-MPLXBHQASA-N 328.380 0.578 0 50 ECAA CCN(C)[C@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)[C@H](C)N2)C1 170606206 GVBASVJMXMBQOH-ZFWWWQNUSA-N 343.431 0.877 0 50 ECAA Cc1nc(N[C@@H]2CCCN(c3ccnn3C)C2=O)nc(N(C)C)n1 170611240 WQIACEIBGNKREG-LLVKDONJSA-N 330.396 0.587 0 50 ECAA COC[C@]1(C(=O)O)CCCN1C(=O)c1ccc(-n2cnnc2)cc1 643850730 YLYGOYNQNHAUOM-INIZCTEOSA-N 330.344 0.973 0 50 ECAA CCc1ccc(OCC(=O)N2CC[C@](O)(Cn3ccnn3)C2)cc1 671501696 RIPYDKOVSKODFY-QGZVFWFLSA-N 330.388 0.883 0 50 ECAA O=C(Cn1nc2ccccn2c1=O)NCc1ccnc(-n2ccnc2)c1 194989663 IASYRSSHAPWXNP-UHFFFAOYSA-N 349.354 0.393 0 50 ECAA O=C([C@@H]1CNC[C@H]1C(F)(F)F)N1CCN(c2cccnn2)CC1 653115684 XAVXDLHFOOOBPT-GHMZBOCLSA-N 329.326 0.523 0 50 ECAA Cc1cccc(N(CC(=O)N2C[C@H](O)[C@@H](F)C2)S(C)(=O)=O)c1 1616095487 QJAPNNXOUZCQBQ-STQMWFEESA-N 330.381 0.302 0 50 ECAA C[C@@H](NC(=O)[C@H]1CCCN(C(=O)NC2CCCC2)C1)c1nnnn1C 1650214715 PUOSXWSNVWWAGI-NEPJUHHUSA-N 349.439 0.752 0 50 ECAA Cc1ccccc1N1CCCN(C(=O)[C@@H](N)CCCNC(N)=O)CC1 1506430542 ZZXIKDWCYAJSOH-HNNXBMFYSA-N 347.463 0.810 0 50 ECAA Cc1cc(C[C@@H]2CN(C(=O)CCN3CCCCC3=O)C[C@@H]2O)n[nH]1 1529179486 BLAMDDBVDWFAJP-HIFRSBDPSA-N 334.420 0.483 0 50 ECAA COc1cc(CNC(=O)C[C@H]2C(=O)NCCN2C(C)C)cc(OC)c1 12761353 BLQHVRYQPGFSKV-INIZCTEOSA-N 349.431 0.919 0 50 ECAA C[C@@H]1COC[C@@](CO)(CNC(=O)c2cncc3c2CCCC3)N1C 1857532903 IVMHGJFORUBRTM-ACJLOTCBSA-N 333.432 0.772 0 50 ECAA Cc1cc(C)n([C@H]2CCN(C(=O)c3cn4c(n3)CCNCC4)C2)n1 1857718106 ODGFRPPISWCVCP-AWEZNQCLSA-N 328.420 0.929 0 50 ECAA COCCn1nnc([C@@H]2CN(Cc3n[nH]c(C)c3Cl)CCO2)n1 1875242978 KDGLFFVGSVWWNS-NSHDSACASA-N 341.803 0.578 0 50 ECAA O=C(O)C1(C(=O)N2C[C@H]3CC=CC[C@H]3C2)CCS(=O)(=O)CC1 902442160 BSALECBUVRNYSC-TXEJJXNPSA-N 327.402 0.691 0 50 ECAA C[C@@H](c1nnnn1C)N1CCc2[nH]nc(C3CCN(C)CC3)c2C1 952849881 TZSSYJYXSJAOGI-NSHDSACASA-N 330.440 0.862 0 50 ECAA CNC(=O)[C@]12CCOC[C@H]1CN(C(=O)COCc1ncc(C)o1)C2 952849922 IABJFRHXORMQMX-WBMJQRKESA-N 337.376 0.111 0 50 ECAA CN1CCN(S(=O)(=O)c2ccc(C(=O)CCC(=O)O)cc2)CC1 1875260144 SERABPMHKQJUBM-UHFFFAOYSA-N 340.401 0.670 0 50 ECAA Cc1ncc(C(=O)N2CC(C[C@H](C)NC(=O)[C@@]3(C)CNC(=O)C3)C2)o1 1875341700 DFAMOGONBWKWOI-DYZYQPBXSA-N 348.403 0.476 0 50 ECAA C=CC(=O)N1CCC(C(=O)N2CCC(C(=O)NC3CC3)CC2)CC1 1875369246 CUFZWLWDTZMLCP-UHFFFAOYSA-N 333.432 0.928 0 50 ECAA C=CC(=O)N1CC(C[C@@H](C)NC(=O)Cn2cc([C@H]3CCOC3)cn2)C1 1875389176 FMLWONOPOGGLDJ-HIFRSBDPSA-N 346.431 0.926 0 50 ECAA NC(=O)[C@]1(N2CCN(C(=O)c3[nH]ccc3C3CC3)CC2)CCOC1 886078254 UFALKACPKGIDGU-KRWDZBQOSA-N 332.404 0.294 0 50 ECAA Cc1ncncc1C(=O)N[C@@H]1CCCC[C@@H]1Cc1nn(C)c(=O)n1C 888099358 VZOLKABPLUMDER-TZMCWYRMSA-N 344.419 0.749 0 50 ECAA CC(C)CN1CCO[C@H](CNC(=O)N2CC(N3CCCC3=O)C2)C1 891597796 LEVOZQTYGKDQJI-OAHLLOKOSA-N 338.452 0.359 0 50 ECAA C[C@H]1C[C@H](NC(=O)c2cc(CN)ccn2)C(=O)N1c1cnn(C)c1 2325868903 PUOPRDDFBMGSMH-HZMBPMFUSA-N 328.376 0.198 0 50 ECAA COc1cc2c(cc1CN1CC[C@H](O)[C@@]3(CCCNC3=O)C1)OCO2 2356141039 VHFSENZVAHGUHL-FUHWJXTLSA-N 348.399 0.887 0 50 ECAA Cn1cnc2cc(C(=O)N3CCC(N4CC(O)C4)CC3)ccc2c1=O 2356147540 AZYQWPRROSRXMU-UHFFFAOYSA-N 342.399 0.215 0 50 ECAA COCCCN[C@H](CC(=O)Nc1ccccc1C(=O)OC)C(=O)O 2857774 GMHOWAFWAKHVJF-CYBMUJFWSA-N 338.360 0.881 0 50 ECAA Cc1ccc(C2=NS(=O)(=O)N(C)C(C(=O)N3CCOCC3)=C2)cc1 6800278 SAEVYOBFBQILJW-UHFFFAOYSA-N 349.412 0.717 0 50 ECAA COC(=O)c1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@@](CO)(O4)[C@@H]3C2=O)cc1 101356378 XRAMWUJZCHJPQG-XREXNNHRSA-N 329.308 0.279 0 50 ECAA O=C1N[C@](CCc2ccccc2)(C2CCNCC2)C(=O)N1CCO 67688875 AUJOWUUSUVGNHS-GOSISDBHSA-N 331.416 0.902 0 50 ECAA O=C(CN1CCOc2ccccc2C1)NCc1nnc2n1CCC2 65370380 YADNVRVHPSGHKK-UHFFFAOYSA-N 327.388 0.735 0 50 ECAA Cc1cnn(C[C@@H]2CN(C(=O)N[C@H](C)C[S@@](C)=O)CCO2)c1 248469123 UNWSQWPIOAONAH-GPAUDHNESA-N 328.438 0.369 0 50 ECAA NC(=O)N1CCC[C@@H](C(=O)N2CCN(Cc3ccccn3)CC2)C1 20166751 QTHCYSJBFDBROB-CQSZACIVSA-N 331.420 0.517 0 50 ECAA O=C([C@@H]1COCCO1)N1CCc2c(nc(-c3ccccn3)[nH]c2=O)C1 71750466 NWDFOASDKYIISA-AWEZNQCLSA-N 342.355 0.132 0 50 ECAA CCN1CCC[C@@H]1CN1C[C@H](C(=O)Nc2ccc(N)nc2)CC1=O 151613528 BKGGIKQLHYJYRI-TZMCWYRMSA-N 331.420 0.935 0 50 ECAA COC(=O)C[C@@H](c1c(O)cc(C)n(CC(=O)O)c1=O)c1ccnn1C 218186023 JWYQQSHPXPMVPL-SNVBAGLBSA-N 349.343 0.375 0 50 ECAA O=C1NC[C@]2(CCCN(C(=O)Cn3c(=O)oc4ccccc43)C2)O1 72173667 OYEWNZNCFUAARX-INIZCTEOSA-N 331.328 0.696 0 50 ECAA COc1cccc([C@@H]2C[C@@H](O)CN2CC(=O)N2CCN(C)CC2)c1 331905112 LCUNVOPGFZLRGE-WBVHZDCISA-N 333.432 0.577 0 50 ECAA CN(Cc1cnc(N)nc1)c1nc(NC2CC2)nc2c1CCNCC2 72453562 NLXQTSGJBSEATR-UHFFFAOYSA-N 340.435 0.748 0 50 ECAA CC(=O)N(CC(=O)O)[C@@H]1CCCN(C(=O)/C=C/c2ccnn2C)CC1 377369285 OXLLBYRSLHMXIL-LLYBFZRZSA-N 348.403 0.748 0 50 ECAA O=C(O)[C@H]1C[C@H](C(=O)N2CCOCC2)CN(Cc2cccc(O)c2)C1 71738460 XBHXDZVLFLPAPQ-GJZGRUSLSA-N 348.399 0.774 0 50 ECAA C[C@@H](CO[C@H]1CCOC1)NC(=O)N1CCc2nn(C)c(=O)cc2C1 333450335 LQPDLBYOENXNCM-AAEUAGOBSA-N 336.392 0.042 0 50 ECAA CCC(=O)N1CCC(c2nnc(CN3CCC(O)CC3)n2C)CC1 77322688 HUNASONZGXTXOL-UHFFFAOYSA-N 335.452 0.888 0 50 ECAA COCCN1C[C@H](CNC(=O)CN2CCc3ccccc3C2)CC1=O 220324829 YCYSGWFSSFRNAW-HNNXBMFYSA-N 345.443 0.656 0 50 ECAA NC(=O)[C@@H]1C[C@@H](F)CN1C(=O)c1cccc(N2CCCNC2=O)c1 286984505 SLWJWGJETNHXGV-YPMHNXCESA-N 334.351 0.644 0 50 ECAA Cc1ccn2cc(CNC(=O)NC[C@@H]3CCS(=O)(=O)C3)nc2c1 339661853 XSPLOPPJLQTUJO-LBPRGKRZSA-N 336.417 0.877 0 50 ECAA O=C1NCCN2CCN(C(=O)NCCOc3ccccc3F)C[C@H]12 426604501 MUQXWQQICXIXGV-CYBMUJFWSA-N 336.367 0.030 0 50 ECAA COc1ccnc(-c2ccc(C(=O)N3C[C@@H](CO)[C@H](CO)C3)cc2)n1 426615436 JXCXQDIYMUJBPE-GJZGRUSLSA-N 343.383 0.825 0 50 ECAA Cc1cc(=O)[nH]c(NCCNC(=O)[C@H]2COc3ccccc3C2)n1 95528109 WNXJQYPGZOAXKW-CYBMUJFWSA-N 328.372 0.858 0 50 ECAA CC(C)(C(=O)N1C[C@@H](C(=O)O)[C@H](c2ccncc2)C1)N1CCOCC1 91738184 LPZZOJPIJGIOMB-LSDHHAIUSA-N 347.415 0.819 0 50 ECAA COCC1(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)CCC1 97681840 XVYYHIAPZRSGCH-UHFFFAOYSA-N 326.418 0.809 0 50 ECAA NC(=O)CN1CCC[C@H](C(=O)N2CCC(O)(c3ccccc3)CC2)C1 91586752 JWCLRDDWKWTVHU-HNNXBMFYSA-N 345.443 0.694 0 50 ECAA O=C(c1cncc(N2CC[C@@]3(CCCNC3=O)C2)n1)N1CCOCC1 92022676 XRQUQGMDRKQUTB-KRWDZBQOSA-N 345.403 0.056 0 50 ECAA CCN1CCO[C@@H](CNC(=O)c2cnccn2)[C@@H]1c1cnn(C)c1 618143126 BPMTVAVJLHJIOZ-GJZGRUSLSA-N 330.392 0.402 0 50 ECAA Cc1nc(NC(=O)CN(C)C[C@H]2COCCO2)sc1C(=O)O 244893088 YVMBFFKUILNHEM-VIFPVBQESA-N 329.378 0.435 0 50 ECAA Cc1nc(N(C)C)ncc1C(=O)N[C@@H](c1cnn(C)c1)[C@H]1C[C@@H](O)C1 244712674 KUEFKJNVDQCMJJ-OSAQELSMSA-N 344.419 0.827 0 50 ECAA COC(=O)Cn1cc(CN2[C@H](C(=O)OC)C[C@@H]3CCCC[C@H]32)nn1 294608094 VTXVGAVBWROXRX-YUTCNCBUSA-N 336.392 0.757 0 50 ECAA COc1cc2nc(C)n(CC(=O)N[C@@H](C)CO)c(=O)c2cc1OC 263586078 PTIPGWLGHBIKSW-VIFPVBQESA-N 335.360 0.219 0 50 ECAA biogenic O=C(O)C[C@H]1CN(C(=O)COc2ccccc2)C[C@H]1c1c[nH]nn1 299792816 GALWMNBUUVXTDY-WCQYABFASA-N 330.344 0.900 0 50 ECAA CS(=O)(=O)N1CCC[C@@H](CNC(=O)CSc2ccncc2)C1 299782287 WXGVTJUNMGBPDQ-LBPRGKRZSA-N 343.474 0.962 0 50 ECAA Cc1cccc(OC2CN(C(=O)NCCc3noc(CO)n3)C2)c1 670462491 AGJDRFSMKDQJRR-UHFFFAOYSA-N 332.360 0.886 0 50 ECAA CCC[C@]1(CO)CCN(CCn2c(O)nc(C)cc2=O)C[C@H]1O 1529186430 YXVNRIPZMIPBJQ-CZUORRHYSA-N 325.409 0.103 0 50 ECAA Cn1cc([C@H]2OCCC[C@@H]2NS(=O)(=O)c2ccnn2C)cn1 275276995 JYBNUDYGVXKFPZ-WCQYABFASA-N 325.394 0.352 0 50 ECAA C[C@@H]1CCCN(CCNC(=O)c2cc(S(N)(=O)=O)ccc2F)C1 170619933 TYZLOCHBKUOGQU-LLVKDONJSA-N 343.424 0.935 0 50 ECAA CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCCN1CCCOCC1 189436243 WCDNRBFWLJZPMG-GOSISDBHSA-N 345.443 0.798 0 50 ECAA CN(CCn1cccn1)C(=O)[C@H]1CC=CC[C@@H]1C(=O)N1CCOCC1 189783440 NPPLEAPGNKLERA-HOTGVXAUSA-N 346.431 0.783 0 50 ECAA O=C(O)[C@@H]1C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCOCC1 647739525 DVZZZYMOAZKVRW-KFWWJZLASA-N 346.383 0.293 0 50 ECAA COc1ccc(CN2C[C@H](CS(=O)(=O)N(C)C)[C@@H](O)C2)c(C)c1 1616080269 LHZCAYKGYRNFPT-ZBFHGGJFSA-N 342.461 0.688 0 50 ECAA 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Cn1ccc(C(=O)N2C[C@@H]3CN(C4CCOCC4)C[C@]3(C(=O)O)C2)n1 248113002 HWCATYWWCAIUHF-SJCJKPOMSA-N 348.403 0.058 0 50 ECAA O=C(COc1ccccc1Cl)N1CC[C@](O)(Cn2ccnn2)C1 671499511 LTBOSZZMMRUHEF-OAHLLOKOSA-N 336.779 0.974 0 50 ECAA COCCn1ccc(NC(=O)[C@H]2CN(C)C(=O)c3ccccc32)n1 373211937 XJKIQXDHCAAQOV-AWEZNQCLSA-N 328.372 1.337 0 50 ECAA O=C(CN1CC[C@@](O)(C2CC2)C1)NCCCN1CCCCCC1=O 373244943 MECDRXNVUMDTPO-SFHVURJKSA-N 337.464 0.742 0 50 ECAA Cc1nn(C)c(C)c1S(=O)(=O)N1CC(C)(C)O[C@@]2(CCOC2)C1 373686235 WSMOELJCGJNBGS-HNNXBMFYSA-N 343.449 0.996 0 50 ECAA Cc1csc(NC(=O)[C@H](C)N2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)n1 266195057 XTSKQRUWYBNWSU-GEVSDDDWSA-N 335.385 0.941 0 50 ECAA O=C(CN1CCCC[C@@H](OCc2ccccc2)C1=O)N1CC(O)C1 818807754 RECCJPKFYNKGDI-MRXNPFEDSA-N 332.400 0.787 0 50 ECAA CN(C)C(=O)[C@@H](c1ccccc1)n1cc(CN2CCC(O)CC2)nn1 1875282688 OQPSZMVNUOMIGF-QGZVFWFLSA-N 343.431 0.912 0 50 ECAA C[C@H](NC(=O)C(=O)N1C[C@@H]2CCCC[C@]2(CN)C1)c1ccnn1C 1875304186 CNEYCSXPSUCINO-DCGLDWPTSA-N 333.436 0.575 0 50 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CC(C)[C@@H]1CN(C(=O)c2cn(CCN)nn2)CCCN1CC1CC1 71764374 CZXIPFKPMRABEJ-INIZCTEOSA-N 334.468 0.819 0 50 ECAA COc1ccc(S(=O)(=O)NCc2cccnn2)cc1CC(=O)O 435475613 VTDSZXUXYIHEJY-UHFFFAOYSA-N 337.357 0.591 0 50 ECAA CC[C@@]1(C)NC(=O)N(NC(=O)CN2CCC[C@H]2c2cnn(C)c2)C1=O 257364981 JWKXXHPFYSLQAS-BLLLJJGKSA-N 348.407 0.309 0 50 ECAA CSc1ncccc1C(=O)N1CCN(c2cc(=O)[nH]c(N)n2)CC1 219818993 NNNGPXMYWLIKMP-UHFFFAOYSA-N 346.416 0.431 0 50 ECAA C[C@@H](CNC(=O)CSCc1cc(=O)n2ccsc2n1)C(=O)O 262513049 KQAQASHMCYYXAH-QMMMGPOBSA-N 341.414 0.826 0 50 ECAA O=C(CCCc1cn[nH]c1)N1CC[C@@H]2[C@@H](CCC(=O)N2CCCO)C1 72428682 PBFZSTNLFZYDBI-JKSUJKDBSA-N 348.447 0.954 0 50 ECAA CCS(=O)(=O)NCCN1CCC[C@]1(CO)Cc1ccccc1 370010213 SFRSZRIMOUNFNZ-MRXNPFEDSA-N 326.462 0.995 0 50 ECAA CO[C@@]1(C(=O)N[C@H]2CCS(=O)(=O)c3ccccc32)CCOC1 332946548 QWRIPIBMQXXLCQ-WFASDCNBSA-N 325.386 0.827 0 50 ECAA O=C1COc2c(cccc2C(=O)N2CC[C@@H](N3CCNCC3)C2)N1 262060077 NUWAGTLVMWTANG-GFCCVEGCSA-N 330.388 0.137 0 50 ECAA CCc1nnc(CNC(=O)Cn2nc(C)c3ccccc3c2=O)o1 223850835 XBZXHLIHDVRSOM-UHFFFAOYSA-N 327.344 0.967 0 50 ECAA CCn1c(Cn2nnnc2C)nc2cc(S(=O)(=O)N(C)C)ccc21 131766309 FWBPDRMUVNWNCK-UHFFFAOYSA-N 349.420 0.650 0 50 ECAA O=C(NCC(=O)N1CCC(Cc2ccccc2)CC1)[C@H]1COCCO1 174598802 AWRXXTJJNZTKKX-QGZVFWFLSA-N 346.427 0.999 0 50 ECAA Cc1cc(CNC(=O)CCN(C)[C@@H]2CCS(=O)(=O)C2)cc(C)n1 223352789 ODMAWURAEZTHQT-OAHLLOKOSA-N 339.461 0.824 0 50 ECAA COC[C@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)c1ccc2c(c1)OCC(=O)N2 223692798 XDYNYWCMVLUDJS-TZCMFKBTSA-N 332.356 0.797 0 50 ECAA Cc1nc(CN2CC[C@@H](NC(=O)c3ccc(=N)[nH]c3)[C@H](O)C2)cs1 426685235 DPHUVGPIGRSMLN-ZIAGYGMSSA-N 347.444 0.624 0 50 ECAA COCCCNC(=O)N(C)CCOc1ccc(S(N)(=O)=O)cc1 292292200 JPXSQSFBYDAXHV-UHFFFAOYSA-N 345.421 0.391 0 50 ECAA O=C(N1CC[C@]2(CCCN(CCO)C2=O)C1)C1(Cn2ccnc2)CC1 92027969 RWOJVESVZBMTPS-QGZVFWFLSA-N 346.431 0.497 0 50 ECAA O=C(NCCNC(=O)c1ccc2[nH]c(CO)nc2c1)c1cccnc1 97797430 RYDICDWLPODDGF-UHFFFAOYSA-N 339.355 0.610 0 50 ECAA CC[C@H](C)S(=O)(=O)NC(=O)C1CCN(c2cnccn2)CC1 181946826 XNPQURDHTSIFHR-NSHDSACASA-N 326.422 0.938 0 50 ECAA O=S(=O)(CCN1CC[C@H]2[C@H](C1)OCc1cnnn12)c1ccccc1 299767847 WEZYDYHQZJGQLV-HOTGVXAUSA-N 348.428 0.898 0 50 ECAA CCc1nccn1CCC(=O)N1CCN(CCn2cncn2)CC1 823557295 JWYZGYOAQUGTCH-UHFFFAOYSA-N 331.424 0.272 0 50 ECAA CC[C@H](C(=O)N1CC[C@H](CNC(=O)c2cnn3cc[nH]c23)C1)N(C)C 982925516 KFQOVWQIQMLDNI-TZMCWYRMSA-N 346.435 0.581 0 50 ECAA C[C@H](C(=O)N(C)[C@@H]1CCCC[C@H]1S(C)(=O)=O)S(C)(=O)=O 408227620 YCMZWEPTJFQEPE-GMTAPVOTSA-N 325.452 0.234 0 50 ECAA Cc1nc(N2CCC[C@@](O)(C(=O)N3CCCC3)C2)c2cnn(C)c2n1 408036893 WUILAMXYDZVJOQ-KRWDZBQOSA-N 344.419 0.625 0 50 ECAA CCc1ocnc1C(=O)N1CCN(Cc2nc(COC)no2)CC1 275618365 RIHFTKXBDLVAAK-UHFFFAOYSA-N 335.364 0.724 0 50 ECAA O=C(NCCCn1cccn1)[C@@H]1CC=CC[C@@H]1C(=O)N1CCOCC1 189000558 DOVSIQFUPPFDLB-CVEARBPZSA-N 346.431 0.831 0 50 ECAA Cc1cc(C(N)=O)c(N2CCCN(CC(=O)N(C)C)CC2)nc1C 1529151928 HOLSXGJHYBUZJI-UHFFFAOYSA-N 333.436 0.398 0 50 ECAA CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)c1cc(C2CC2)no1 1704300976 DMMDVUHLTLLBGZ-CMPLNLGQSA-N 343.405 0.188 0 50 ECAA O=C(N[C@H]1CCN(C(=O)c2ncccc2O)C[C@@H]1O)c1cccnc1 216331317 GAAOBPWAXDIYHC-JSGCOSHPSA-N 342.355 0.188 0 50 ECAA OC[C@H]1CCCCN1CCNc1nc2nonc2nc1N1CCCC1 15062266 XRDVODJNKUQSDO-GFCCVEGCSA-N 347.423 0.872 0 50 ECAA N[C@@H]1C[C@@H](C(=O)N2CCN(c3ccc(Cl)cn3)CC2)CC[C@H]1O 1857714730 JJNPHFOOOAUSQC-IACUBPJLSA-N 338.839 0.872 0 50 ECAA CS(=O)(=O)CC(=O)N[C@H]1CCOC[C@@H]1OCc1ccccc1 709947193 DDJBVZZZULAFMQ-KBPBESRZSA-N 327.402 0.522 0 50 ECAA NC(=O)C[C@@]1(O)CCCN(C(=O)c2ccncc2Br)C1 644003490 KSBUTMCHZJBHQX-ZDUSSCGKSA-N 342.193 0.687 0 50 ECAA Cn1c(=O)oc2ccc(CN3CCS(=O)(=O)C[C@H]3CCO)cc21 932307676 RMIZDZPYJDCCFT-GFCCVEGCSA-N 340.401 0.113 0 50 ECAA Cn1nc([C@@H]2C[C@@H](O)[C@@H](CNc3ccnc(C4CC4)n3)C2)n(C)c1=O 952849441 KVIDIWSKZJCFEF-YNEHKIRRSA-N 344.419 0.753 0 50 ECAA Cc1nc(O)cc(C(=O)N[C@H]2[C@@H]3CN(C(=O)c4ccoc4)C[C@@H]32)n1 1875332488 UYVQJDRATFVSHO-YABSGUDNSA-N 328.328 0.584 0 50 ECAA Nc1nccnc1C(=O)NC[C@]12CCC[C@H]1CN(c1ncccn1)C2 1875302169 CKNVVXHDTIOMLF-SJCJKPOMSA-N 339.403 0.885 0 50 ECAA Cc1nc([C@@H]2CN(C)CC23CN(C(=O)c2cc(F)cnc2O)C3)n[nH]1 1775959834 ARFGJPIMEQKUAT-LBPRGKRZSA-N 346.366 0.524 0 50 ECAA CS(=O)(=O)c1cnn(CCS(=O)(=O)c2ccc(F)cc2)c1 899905979 NWQSHGNIAXNUEA-UHFFFAOYSA-N 332.378 0.900 0 50 ECAA O=C(N=c1nc2ccccn2[nH]1)NCc1cc(C2CCNCC2)no1 2325754061 OLOJCCNAEXMCTO-UHFFFAOYSA-N 341.375 0.928 0 50 ECAA C[C@H]1CN(C[C@H](O)CNS(=O)(=O)c2cccc(Cl)c2)CCO1 2325782684 VRDYZANKWPGJQL-WCQYABFASA-N 348.852 0.700 0 50 ECAA NC(=O)c1ccc(C(=O)NCCNC(=O)[C@H]2Cc3ccc(F)cc32)[nH]1 1491528508 KGZWEPYNJHJSNN-LBPRGKRZSA-N 344.346 0.439 0 50 ECAA CS(=O)(=O)N(CC(=O)NC[C@H]1CCCO1)c1ccc(F)cc1 329003 MKIOSGBZHLYWEP-CYBMUJFWSA-N 330.381 0.887 0 50 ECAA Cn1c(=O)c(C(=O)N2C[C@H]3COC[C@@]3(CO)C2)cc2ccccc21 2356169295 OTMVTENUKNVZAD-UGSOOPFHSA-N 328.368 0.619 0 50 ECAA CCOC(=O)[C@H]1C(=O)CC[C@H](C(=O)OC)N1C(=O)c1ccccc1 102199897 XIULBHYZFMPXCG-TZMCWYRMSA-N 333.340 0.965 0 50 ECAA C[C@H](CNC(=O)C1CCN(S(C)(=O)=O)CC1)CN1CCCC1 55539981 RULMEHPHXJRSEC-CYBMUJFWSA-N 331.482 0.506 0 50 ECAA CCc1nsc(N2CCN(S(=O)(=O)c3cc[nH]n3)CC2)n1 225435328 BXQAABNBIKIXLT-UHFFFAOYSA-N 328.423 0.335 0 50 ECAA CO[C@H]1C[C@@H](CO)N(CC(=O)NCCOc2c(C)cccc2C)C1 344711561 LJUCEMGAWOCJJB-HOTGVXAUSA-N 336.432 0.880 0 50 ECAA NC(=O)c1ccc(OCC(=O)N2CCO[C@H](c3ncon3)C2)cc1 353574567 OUTAOIVHBCATHG-LBPRGKRZSA-N 332.316 0.147 0 50 ECAA COCCN(C)CCN1C[C@H](NC(=O)CCc2ccccn2)CC1=O 354129987 HLCHQGMTGSGWDW-MRXNPFEDSA-N 348.447 0.310 0 50 ECAA CNS(=O)(=O)c1ccc(/C=C/C(=O)N2CCC[C@@H]2C(=O)O)cc1 328591109 JWXXJAWJOZBWAM-YSKGHYERSA-N 338.385 0.684 0 50 ECAA CS(=O)(=O)[C@H]1CCN(C(=O)[C@@H]2CCCN2c2nccs2)C1 253397051 BXQIBEACIPOIGG-QWRGUYRKSA-N 329.447 0.757 0 50 ECAA CN1CC2(CCN(c3cc(NCCO)ncn3)CC2)C[C@@H]1C(=O)O 72126548 OAJLPSMGVXIDBU-GFCCVEGCSA-N 335.408 0.256 0 50 ECAA COc1nc2c(cc1C(=O)N1CCNC[C@@H]1C(=O)NC1CC1)CCC2 72145211 UFTBGVIIPDBOOH-OAHLLOKOSA-N 344.415 0.272 0 50 ECAA CC1(Cn2cc(C(=O)N3CCOC[C@@H]3[C@H]3CCCC3=O)nn2)COC1 330310662 NMOXQMJZUXLJNT-TZMCWYRMSA-N 348.403 0.525 0 50 ECAA CC(=O)N[C@@H]1CC[C@H](C(F)(F)F)N(C(=O)CN2CCCC2=O)C1 330565032 JYLFFBIXYFDLNV-GHMZBOCLSA-N 335.326 0.667 0 50 ECAA NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1cnc2[nH]c(O)nc2c1 368276700 MCTWWQQMSLONFG-ZDUSSCGKSA-N 337.339 0.716 0 50 ECAA COc1cccc2c1OCC(CN1CCN(CC(=O)O)C[C@@H](O)C1)=C2 217568972 ZBDNXVMBCBPSTC-HNNXBMFYSA-N 348.399 0.534 0 50 ECAA C[C@H]1CCCN(S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)[C@@H]1CN 237509457 WMSQRTHRGXFXAD-SMDDNHRTSA-N 346.474 0.838 0 50 ECAA CNS(=O)(=O)c1ccc(C(=O)N2CCC[C@](C)(C(=O)O)C2)cc1 263356803 XFPYHMNRMJLMAV-HNNXBMFYSA-N 340.401 0.922 0 50 ECAA COC(=O)c1cn(CCNC(=O)Nc2cn(C)nc2C(C)C)nn1 241446966 NQAPCGVGACWAQN-UHFFFAOYSA-N 335.368 0.743 0 50 ECAA CN(CC(=O)N1CCN(CC2CC2)[C@@H](CCO)C1)Cc1ccncc1 223697473 MCQJTUIWMPIPAG-SFHVURJKSA-N 346.475 0.819 0 50 ECAA Cc1cc(=O)[nH]c(NCCNC(=O)Cn2ncc3ccccc32)n1 220140332 SLCQQRSAOKCWFX-UHFFFAOYSA-N 326.360 0.656 0 50 ECAA O=C1NCCN(C(=O)Cn2ccccc2=O)[C@@H]1Cc1ccccc1 97743242 KFMDSJWAUDUMMM-OAHLLOKOSA-N 325.368 0.418 0 50 ECAA Nc1nnc([C@H](NC(=O)CN2CCOC2=O)c2ccccc2)s1 244873617 WTACMKDFBCOMSM-LLVKDONJSA-N 333.373 0.778 0 50 ECAA CNS(=O)(=O)c1ccc(C(=O)N2CCCCC[C@@H]2C(=O)O)o1 621566802 BKZNISNTBUPNLE-SECBINFHSA-N 330.362 0.657 0 50 ECAA CNC(=O)c1cccc(OCC(=O)N2CCc3cnc(N)nc3C2)c1 623325051 WRBKNHZLMOFKCO-UHFFFAOYSA-N 341.371 0.382 0 50 ECAA COC(=O)N[C@H](C)C(=O)NC1CCN(C(=O)N2CCCC2)CC1 670444646 TXJJZYSECUVHKA-LLVKDONJSA-N 326.397 0.527 0 50 ECAA COC1(c2cnnn2C)CN(C(=O)c2ccc(-n3cccc3)nc2)C1 1331091599 ODCIUUKEVRQKGK-UHFFFAOYSA-N 338.371 0.999 0 50 ECAA C[C@@H](O)c1nc2ccc(NC(=O)CCNS(C)(=O)=O)cc2[nH]1 952973363 SPYQWJCIYSJMRO-MRVPVSSYSA-N 326.378 0.494 0 50 ECAA CO[C@@](C)(C(=O)O)C(=O)Nc1cccc(N2C(=O)NC(C)(C)C2=O)c1 663046897 AZYZBGJZUBKOKY-MRXNPFEDSA-N 349.343 0.950 0 50 ECAA CCN(Cc1ccccn1)C(=O)[C@@H]1C[C@@H](O)CN1c1ccncn1 635670800 FAXWLRCGBHDBPU-CABCVRRESA-N 327.388 0.860 0 50 ECAA CNC(=O)C[C@]1(O)CCCN(C(=O)c2cccc3c2OCCO3)C1 644035996 DCWGRQQPYNYUGM-QGZVFWFLSA-N 334.372 0.561 0 50 ECAA CN(C)S(=O)(=O)c1ccc(CN2CCOC[C@]23CCOC3)cc1 193691111 JYBAGQGGTUZGCO-MRXNPFEDSA-N 340.445 0.928 0 50 ECAA CCc1nn(C)c(Cl)c1C(=O)N1CC[C@](O)(Cn2ccnn2)C1 794483015 GLJZLYPHRZMNKC-CQSZACIVSA-N 338.799 0.505 0 50 ECAA CN(C)S(=O)(=O)C[C@H]1CN(Cc2ccc(F)cc2F)C[C@@H]1O 1615738666 VOJPKITWSDSPBZ-RISCZKNCSA-N 334.388 0.649 0 50 ECAA Cc1c(C(=O)N2CCC3(CN(C)C3)C2)cnn1-c1ccc(O)nn1 1649781900 VRRRHWMGLIZZAN-UHFFFAOYSA-N 328.376 0.454 0 50 ECAA CN(C)S(=O)(=O)C[C@@H]1CN(Cc2ccc(F)cc2F)C[C@H]1O 1529181736 VOJPKITWSDSPBZ-SMDDNHRTSA-N 334.388 0.649 0 50 ECAA CC(C)CN1C(=O)CC[C@@H]2CN(C(=O)CCCn3cnnn3)CC[C@@H]21 216894790 KXJNHLOIFXUMKS-CABCVRRESA-N 348.451 0.949 0 50 ECAA O=C(Cn1cccnc1=O)N1CCCN(C(=O)c2cccs2)CC1 1704297309 LZCJKNPWEHWZMK-UHFFFAOYSA-N 346.412 0.680 0 50 ECAA Cn1cnnc1C1CCN(c2nccc(N3CCC[C@H](O)C3)n2)CC1 1704345225 TUSPWVABCZIVKB-AWEZNQCLSA-N 343.435 0.950 0 50 ECAA 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Cc1cccc2ncc(C(=O)N3C[C@@H]4CC[C@H](C3)C(=O)N4C)c(=O)n12 75939187 OIGYBPLVBSZROT-OLZOCXBDSA-N 340.383 0.696 0 50 ECAA C[C@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)NCCC(=O)O)C2=O 269206967 UOZQDWBBQUSAHU-QFYYESIMSA-N 339.392 0.714 0 50 ECAA O=S1(=O)CCCN1[C@@H]1CCCN(c2cncc(-n3cccn3)n2)C1 279069817 LNONSEZEOIUSEI-CYBMUJFWSA-N 348.432 0.667 0 50 ECAA CNc1ccc(C(=O)NCc2nc(CN3CCCCC3)no2)cn1 646105086 DSBYXOVXTOJZJW-UHFFFAOYSA-N 330.392 1.422 0 50 ECAA COc1ccccc1O[C@@H](C)CNC(=O)N1CCO[C@H](C(=O)O)C1 666531738 BGYQPDRKLGCYQC-FZMZJTMJSA-N 338.360 0.958 0 50 ECAA Cn1nc(C(C)(C)C)cc1C(=O)N1CC[C@@](O)(Cn2ccnn2)C1 671604085 PHXDPPKCXJRBGN-INIZCTEOSA-N 332.408 0.586 0 50 ECAA CC1(C)CC(CC(=O)N2CCNC(=O)[C@H]2CC(=O)O)CC(C)(C)N1 1506418554 RGINPDGIMSLRAF-GFCCVEGCSA-N 339.436 0.735 0 50 ECAA CCNc1ncc(CN2C[C@H]3COC[C@@H]2CN(CC(=O)O)C3)cn1 1704312099 ZUHFDUOPTGNJER-KBPBESRZSA-N 335.408 0.126 0 50 ECAA O=C(c1n[nH]c(=O)c2ccccc12)N1CCN(c2cnccn2)CC1 11543813 WWVLKSCFUYLGHQ-UHFFFAOYSA-N 336.355 0.676 0 50 ECAA O=C(NCc1ccccc1)N1CCN2C(=O)[C@H]3CCCN3C(=O)[C@H]2C1 14752185 GXSADWWHGPIHAO-HUUCEWRRSA-N 342.399 0.414 0 50 ECAA CCOc1ccccc1CN1CCNC(=O)[C@@H]1CC(=O)NCCOC 15065239 RDSMTSFJHHTSTM-HNNXBMFYSA-N 349.431 0.538 0 50 ECAA CC(C)Cc1cc(C(=O)N2C[C@H]3COC[C@@H]2CN(C)C3)nc(O)n1 1857737233 CFAXMGBTEPHWMY-JSGCOSHPSA-N 334.420 0.783 0 50 ECAA CN1CCN(c2cc(N3CCC[C@H](CCO)CC3)ncn2)CC1=O 333831801 JMJOYZLMJZKELW-AWEZNQCLSA-N 333.436 0.744 0 50 ECAA CN(C)C/C=C/C(=O)NCCS(=O)(=O)N1CCc2ccccc21 265647612 NPHSIETZMPDCCK-VMPITWQZSA-N 337.445 0.613 0 50 ECAA COc1ccc(S(=O)(=O)N2CCN(c3nc[nH]n3)CC2)cc1C 907346421 MACZJLQFSITZSJ-UHFFFAOYSA-N 337.405 0.633 0 50 ECAA C[C@@H]1CN(CCNC(=O)Nc2cc(C(=O)N(C)C)ccn2)CCO1 930788090 FTGYQKYCKOVCFN-GFCCVEGCSA-N 335.408 0.626 0 50 ECAA COc1ccccc1CN1CCN(C(=O)[C@H]2CC[C@@H](C(=O)O)N2)CC1 952889316 YETVRXSSDUGKAA-CABCVRRESA-N 347.415 0.545 0 50 ECAA COC(=O)[C@H](Cn1cncn1)NC(=O)c1cc2nc(C)ccc2o1 952880595 OTQXPDBMEMFDLC-NSHDSACASA-N 329.316 0.699 0 50 ECAA COC1(C(=O)N2CC(N3CCO[C@H](c4nc(C)no4)C3)C2)CCC1 952849464 VLWKZLIDBBONJZ-ZDUSSCGKSA-N 336.392 0.531 0 50 ECAA FC(F)(F)[C@]1(c2nnn(Cc3cn4cccnc4n3)n2)CCCN1 1875282197 QYPVFZBFPLCGEG-GFCCVEGCSA-N 338.297 0.905 0 50 ECAA O=C(N[C@@H]1CS[C@H](C(=O)O)C1)[C@H]1CCCN(C(=O)C2CC2)C1 1875300477 DTQFPZBRPOWHNB-SRVKXCTJSA-N 326.418 0.710 0 50 ECAA C=CC(=O)N(C)c1ccc(C(=O)NC[C@H]2CCS(=O)(=O)N2)cc1 1875373701 LDFHMKRGIMJSTO-GFCCVEGCSA-N 337.401 0.257 0 50 ECAA COCC(=O)N1C[C@H]2C[C@H](NC(=O)[C@H]3CN4CCC3CC4)C[C@H]2C1 1875341035 CYHXCTBJFUGXOE-JJXSEGSLSA-N 335.448 0.328 0 50 ECAA Cc1cnn(CCCN2C(=O)N[C@H](Cc3cn(C(C)C)nn3)C2=O)c1 1875360685 FXTDSEGGCDYSLT-CQSZACIVSA-N 345.407 0.917 0 50 ECAA Cc1cc(S(=O)(=O)NC2(C(=O)O)CC(O)C2)cc(C(=O)O)c1C 1775999869 XMEXGPXQKLLQOG-UHFFFAOYSA-N 343.357 0.258 0 50 ECAA CCOc1ccccc1-c1n[nH]c(=NC(=O)c2nc(=O)n(C)[nH]2)o1 2100557631 XFPPAPQYTCRNGV-UHFFFAOYSA-N 330.304 0.231 0 50 ECAA COc1ccc(-n2ncc(C(=O)N[C@H]3CCC(=O)NC3=O)c2C)cc1 1857798140 RBZGIBRRQIAMQC-AWEZNQCLSA-N 342.355 0.724 0 50 ECAA CC(C)C[C@@H]1C[C@H](C(=O)Nc2cnn([C@@H]3CCNC3=O)c2)CC(=O)N1 2325823615 ZOWADDLUGAFXCF-OUCADQQQSA-N 347.419 0.824 0 50 ECAA COCC(=O)Nc1ccc2c(c1)C(=O)N([C@H]1CCC(=O)NC1=O)C2 2325885900 IBXJZCBHMBUPSI-LBPRGKRZSA-N 331.328 0.033 0 50 ECAA C[C@@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)NC1C(C)(C)SC1(C)C 2020491 IVBOUFAWPCPFTQ-SFYZADRCSA-N 331.438 0.082 0 50 ECAA endogenous,in-man CCC[C@@]1(C(=O)O)CN(C(=O)c2csc(=NC)[nH]2)CC[C@@H]1O 2356149466 BMPNRKYHLKZFRD-IINYFYTJSA-N 327.406 0.685 0 50 ECAA CC(C)NC(=O)[C@@H]1C[C@H](N)CN1C(=O)c1nn(C)c2ccccc12 67725237 HLVAEOFMNDBVCO-FZMZJTMJSA-N 329.404 0.640 0 50 ECAA O=C(NCc1cnn2ccccc12)c1cn(C[C@@H]2CCCNC2)nn1 67757230 KZFXOQIMZYGCKS-CYBMUJFWSA-N 339.403 0.855 0 50 ECAA CN(C)c1nc2c(c(=O)n(C)c(=O)n2C)n1CC(=O)c1ccccc1 82941 AOBNOWRAGPJRLJ-UHFFFAOYSA-N 341.371 0.383 0 50 ECAA biogenic O=C([C@H]1CCCO1)N1CCN(c2ccnc(N3CCCC3)n2)CC1 72437305 MDRHYGJKJNKWMR-CQSZACIVSA-N 331.420 0.904 0 50 ECAA O=C(Cn1cccnc1=O)N1CCC[C@H](c2noc(C3CC3)n2)C1 329676085 UPOAJMUNRNKRIW-LBPRGKRZSA-N 329.360 0.910 0 50 ECAA CNS(=O)(=O)c1cccc(C(=O)N2CCCC[C@@H]2C(=O)O)c1 330681158 OLQQJLDPNRXDAP-GFCCVEGCSA-N 326.374 0.674 0 50 ECAA CNC(=O)c1cc(S(=O)(=O)N[C@H](C)c2cncc(F)c2)cn1C 359197801 MYGNVEJSZGKURF-SECBINFHSA-N 340.380 0.958 0 50 ECAA CC(=O)N1CCOC[C@H]1C(=O)NCc1nc2cccc(C)c2n1C 155419888 RCBMOTWZJHBBFN-AWEZNQCLSA-N 330.388 0.745 0 50 ECAA O=C(CN1CCOC1=O)N[C@@H]1CCOC[C@H]1OCc1ccccn1 219489405 MLRUBNHPVTXLIS-ZIAGYGMSSA-N 335.360 0.324 0 50 ECAA C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)C[C@@H]1NC(=O)NC1=O 156312904 LNAGMVHBHZTYPU-ZFWWWQNUSA-N 344.415 0.708 0 50 ECAA CN(Cc1n[nH]c2c1CCC2)C(=O)c1ccc(S(N)(=O)=O)cc1 215919638 UORICXHIWBEUHB-UHFFFAOYSA-N 334.401 0.818 0 50 ECAA COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)N(C)CCO)cc1C 72129408 WCYDOGXWPCMXTP-OAHLLOKOSA-N 349.431 0.145 0 50 ECAA C[C@@H](O)C(=O)N1CCc2c(nc(-c3cccnc3)nc2N(C)C)C1 71749504 HWBMZAJVLJMDRT-LLVKDONJSA-N 327.388 0.870 0 50 ECAA C[C@H](C1CCCCC1)N(C)C(=O)Cn1cc(S(N)(=O)=O)cn1 283092699 SFMQFKFOGNHGLN-LLVKDONJSA-N 328.438 0.958 0 50 ECAA Cn1cc(S(=O)(=O)N2CCNC(=O)[C@@H]2c2cccs2)cn1 241231068 KRSAQZSJMTZHNT-NSHDSACASA-N 326.403 0.343 0 50 ECAA Cn1c(=O)n(Cc2nnc([C@H]3C[C@@H](N)C3)n2C)c(=O)c2ccccc21 220451532 OAQMLPUSXRBWHI-XYPYZODXSA-N 340.387 0.082 0 50 ECAA O=C(O)[C@H]1CCN(C(=O)CN2CCN(Cc3ccccc3)CC2)C1 178258060 OBJIHFXRCVJGTF-INIZCTEOSA-N 331.416 0.737 0 50 ECAA COc1cccc2c1OC[C@H](C(=O)NCCc1nc(N)cc(=O)[nH]1)C2 95386547 SJFZWUXQAXYBKE-LLVKDONJSA-N 344.371 0.271 0 50 ECAA O=C(Cc1cnc[nH]c1=O)N1CC[C@]2(CCCN(CC3CC3)C2=O)C1 91780851 NWFZJELSVZWURR-GOSISDBHSA-N 344.415 0.564 0 50 ECAA COc1ccc2c(c1)[C@@H](C(=O)NC1(C(=O)O)CCOCC1)CC(=O)N2 95497082 ISGADWMYTKVRPD-LBPRGKRZSA-N 348.355 0.871 0 50 ECAA C[C@@H](C(=O)Nc1ccccn1)N1CCC2(CC1)C(=O)N(C)C(=O)N2C 244811748 SKLHZTCATRGQHI-LBPRGKRZSA-N 345.403 0.767 0 50 ECAA CC(=O)NCC(=O)NCC(=O)N1CCCc2c(NC(C)=O)cccc21 299273718 PJHXWYRSNJYXBC-UHFFFAOYSA-N 346.387 0.177 0 50 ECAA CCn1c(CO)nnc1[C@H]1C[C@H](NC(=O)COc2cccnc2)C1 244707857 KIUJPRJJXDQDAR-HAQNSBGRSA-N 331.376 0.627 0 50 ECAA COCc1nc(O)cc([C@H]2C[C@H](NC(=O)c3ccnn3CCO)C2)n1 253535168 FTCCCIFSEGNINO-XYPYZODXSA-N 347.375 0.193 0 50 ECAA O=C1CC[C@H](NC(=O)c2ccnc3ccnn23)[C@@H]([C@H]2CCCO2)N1 627351552 VZBJDNFBWZUDGM-NVBFEUDRSA-N 329.360 0.285 0 50 ECAA COc1cc(NC(=O)N2C[C@H](O)[C@@H](N3CCN(C)CC3)C2)ccc1C 299794957 NSVXHHQEUHEYND-HOTGVXAUSA-N 348.447 0.828 0 50 ECAA CN(C)c1ccc(CCC(=O)N2CC[C@@H](CS(N)(=O)=O)C2)cc1 299794052 JNDVRDFHBPHICV-CQSZACIVSA-N 339.461 0.822 0 50 ECAA Cc1ccc(-n2cccn2)cc1S(=O)(=O)NCCN1CCNCC1 825190541 QVDNXDAZYCGTCM-UHFFFAOYSA-N 349.460 0.364 0 50 ECAA COC(=O)c1cn([C@H]2CN[C@H](C(=O)NCCc3ccccc3)C2)nn1 824220721 ICCKBCZSAIEXOH-KGLIPLIRSA-N 343.387 0.327 0 50 ECAA CC(C)Cc1cc(CNS(=O)(=O)[C@@H]2CCS(=O)(=O)C2)on1 670451106 DWCUWYLHGJFQEM-GFCCVEGCSA-N 336.435 0.480 0 50 ECAA COc1cc(C(=O)N2CCCN(C(=O)[C@@H]3CCCN3C)CC2)ccn1 940510356 QNDWHTFTTUCAKP-HNNXBMFYSA-N 346.431 0.859 0 50 ECAA Cc1[nH]nc(CN2CCN(C(=O)CCC(=O)O)C[C@@H](O)C2)c1Cl 97717084 QDSJPBKUUCIUKH-JTQLQIEISA-N 344.799 0.241 0 50 ECAA CCc1nc(C)cc(N2CCS(=O)(=NS(C)(=O)=O)CC2)n1 408524162 QRAXYQVSICQJKB-UHFFFAOYSA-N 332.451 0.595 0 50 ECAA Cc1nc(CN2C[C@@H](F)C[C@H]2CNC(=O)c2cnns2)no1 275492508 ACVSNDAVLWQLHE-IUCAKERBSA-N 326.357 0.572 0 50 ECAA CC(=O)NCc1ccc(-c2nc(-c3cn(C)c(=O)[nH]c3=O)no2)cc1 170615413 CIFWMARSAUJWSO-UHFFFAOYSA-N 341.327 0.427 0 50 ECAA Cn1cccc1C(=O)N1CCN(c2ccccc2S(N)(=O)=O)CC1 188896305 MWAMTJNWWLUBFF-UHFFFAOYSA-N 348.428 0.635 0 50 ECAA O=C(CC1OCCCO1)NC[C@H]1C[C@H](O)CN1Cc1ccccc1 193701722 WJIOFEDOJGBBOV-CVEARBPZSA-N 334.416 0.891 0 50 ECAA CCC[C@@H](C(=O)O)N1CCN(S(=O)(=O)c2c(C)noc2C)CC1 652392577 RZHVBBYKIUELLA-LBPRGKRZSA-N 345.421 0.851 0 50 ECAA NC(=O)C[C@@H]1CCCN(Cc2nnnn2CC2CCOCC2)CC1 671507691 UZMRCYYDFRMESV-CYBMUJFWSA-N 336.440 0.577 0 50 ECAA C[C@H]1CN(C(=O)c2ccc(OCC(=O)O)cc2)CCS(=O)(=O)C1 659760836 SVXRTGXKDGQLAD-NSHDSACASA-N 341.385 0.657 0 50 ECAA Cc1[nH]nc2c1CN(C(=O)[C@H]1OCC(=O)N[C@@H]1c1ccccc1)CC2 1529105810 INJYXRNWYMATDB-SJORKVTESA-N 340.383 0.859 0 50 ECAA CCN1C(=O)C[C@@H](N2CCN(Cc3ccc4c(c3)OCO4)CC2)C1=O 19526844 XNJOSZLDMOGMNH-CQSZACIVSA-N 345.399 0.680 0 50 ECAA O=C(C[C@@H]1CNCCO1)NCCS(=O)(=O)c1ccc(F)cc1 162231220 OTQXXZKEQSKVPQ-GFCCVEGCSA-N 330.381 0.094 0 50 ECAA O=C(NCc1ccccc1)[C@@H](O)[C@H](O)C(=O)NCc1ccccc1 2539333 BBYSAHVLSFBCMN-HOTGVXAUSA-N 328.368 0.341 0 50 ECAA biogenic O=C(c1ccc(=O)n(-c2ccccc2F)n1)N1C[C@@H](F)C[C@H]1CO 331525455 FLUFTRUZAJZLNT-QWRGUYRKSA-N 335.310 0.917 0 50 ECAA COC[C@H]1C[C@@H](O)CN1C(=O)NCc1ccc(C(=O)N(C)C)cc1 650608029 NVCMLFRLSGWRQI-HUUCEWRRSA-N 335.404 0.680 0 50 ECAA CO[C@H]1C[C@@H](CO)N(C(=O)CCN2CCN(c3ccccn3)CC2)C1 339081535 JNGWYTWCZVVLPX-HOTGVXAUSA-N 348.447 0.202 0 50 ECAA Nc1ncc2c(n1)[C@@]1(CCCN(CC(=O)N3CCOCC3)C1)CC2 1704326481 XWKYJYUXQVQRPO-KRWDZBQOSA-N 331.420 0.197 0 50 ECAA Cc1ccc(F)cc1S(=O)(=O)N1C[C@H]2COC[C@@H](C1)C(=O)N2C 1704314451 ZYLHKQCHGCSSRP-YPMHNXCESA-N 342.392 0.612 0 50 ECAA CCCCN(C(=O)c1cc(C(=O)O)nn1C)[C@H]1CCS(=O)(=O)C1 864100506 YUUQEOUUTPXEHR-JTQLQIEISA-N 343.405 0.548 0 50 ECAA Cc1cc(C)nc(C(=O)N2CC[C@H]2CNC(=O)[C@@H]2CCN(C)C2)c1 950078544 ZNLVKIICSWJMIS-CABCVRRESA-N 330.432 0.981 0 50 ECAA CN(C(=O)CCCNC(=O)OC(C)(C)C)N1CCS(=O)(=O)CC1 952994757 UWNQMONHIWUKON-UHFFFAOYSA-N 349.453 0.395 0 50 ECAA CCn1c(=O)c(NC[C@]2(CO)COC[C@@H](C)N2C)nc2ccccc21 1875398359 MSXKMUGNBYLETE-ACJLOTCBSA-N 346.431 0.910 0 50 ECAA CO[C@@H]1CN(C(=O)c2cccc3nc[nH]c23)C[C@H]1c1cn(C)nn1 886085022 VDNHKOUWHMSRFD-SMDDNHRTSA-N 326.360 0.946 0 50 ECAA C[C@@H](CO)NS(=O)(=O)c1cc(F)ccc1N1CC[C@H]([C@H](C)O)C1 1775985726 NDPXJBFSMJGQDW-SRVKXCTJSA-N 346.424 0.692 0 50 ECAA CCN1C(=O)[C@H](CC(=O)NC)N(NC(=O)c2ccccc2)C1=S 86909 ZCRYHTWNWVNEEQ-NSHDSACASA-N 334.401 0.285 0 50 ECAA O=C([C@H]1CCS(=O)(=O)C1)N1CCN(CC(F)(F)C(F)F)CC1 225388733 WTMWWKDCTXNWHP-VIFPVBQESA-N 346.346 0.466 0 50 ECAA Cn1ncc(CN2CCN(c3ncccn3)C[C@H]2C(=O)O)c1C1CC1 107025862 AWOKSSWRDRNCOV-AWEZNQCLSA-N 342.403 0.863 0 50 ECAA CCN1CCC(Cn2cc(CN3CCNC(=O)C3(C)C)nn2)CC1 23398348 AUUSTHQNPFFGBP-UHFFFAOYSA-N 334.468 0.720 0 50 ECAA 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CC(=O)NCc1cc(O[C@H]2CCN(C(=O)c3ccon3)C2)ccn1 886095259 PHBOSOBAYYJPCG-AWEZNQCLSA-N 330.344 0.999 0 50 ECAA COC(=O)C[C@H]1C(=O)NCCN1C(=S)Nc1ccc(F)cc1 13598584 PRMCSCZPRQSPGJ-NSHDSACASA-N 325.365 0.886 0 50 ECAA COC(=O)C1=C(N)Oc2c(oc(CO)cc2=O)[C@@H]1c1cccnc1 117007 SOLOGPKQXAYSGY-LLVKDONJSA-N 330.296 0.395 0 50 ECAA biogenic,in-vitro CCn1c(O)nc(N2CC[C@@H](N=c3nc[nH]n4cccc34)C2)cc1=O 2325849274 KAQXSSQUKVQAMI-LLVKDONJSA-N 341.375 0.124 0 50 ECAA O=C(O)c1csc2cc(C(=O)N3CCN4C(=O)NC(=O)[C@H]4C3)[nH]c12 2325866419 KHEFBZQVOQOTJB-MRVPVSSYSA-N 348.340 0.304 0 50 ECAA Cn1nc(C(F)(F)F)cc1CN1CCS(=O)(=O)C[C@@H]1C(=O)O 923251341 YTSJPFONMQQHBN-MRVPVSSYSA-N 341.311 0.123 0 50 ECAA CCN1CCC[C@H]1CNS(=O)(=O)c1cc(C(N)=O)ccc1OC 1075232 ZKJHIFFFLXCPBE-LBPRGKRZSA-N 341.433 0.557 0 50 ECAA C[C@H](N[C@@H]1CS(=O)(=O)C[C@H]1N1CCCCC1)C(=O)N1CCCC1 248254935 NXKBZEJLOCFUAX-RRFJBIMHSA-N 343.493 0.238 0 50 ECAA CNC(=O)C[C@H]1C(=O)NCCN1C(=O)c1cc2ccccc2n1C 67772895 OWDNGQCGRPRKLA-ZDUSSCGKSA-N 328.372 0.255 0 50 ECAA CC(=O)N1C[C@H]2CNC[C@@]2(C(=O)NCCc2[nH]nc3c2CCCC3)C1 65528526 NPXZRGHUSWQGAE-FZKQIMNGSA-N 345.447 0.015 0 50 ECAA O=C(Cn1cccnc1=O)N1CCC(C(=O)N2CCCCC2)CC1 77288061 SLWWUUCMCDIGIC-UHFFFAOYSA-N 332.404 0.494 0 50 ECAA OC[C@H]1O[C@@H](Oc2ccccc2-c2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O 71769481 CDHOJFZUDDYXIG-UYTYNIKBSA-N 332.352 0.532 0 50 ECAA CNS(=O)(=O)NCC(=O)N[C@@H]1CCCC[C@@H]1Cc1ccccc1 253404020 BXDZSBBHGPXNBM-HUUCEWRRSA-N 339.461 0.958 0 50 ECAA Cn1ccnc(N2CC(S(=O)(=O)N3CCc4ccccc43)C2)c1=O 328587137 TZHVNISBOGFTCP-UHFFFAOYSA-N 346.412 0.361 0 50 ECAA Cc1noc([C@]2(O)CCN(S(=O)(=O)C3Cc4ccccc4C3)C2)n1 328612288 OGXCXPUCEFTNBY-INIZCTEOSA-N 349.412 0.769 0 50 ECAA CN(C[C@H]1CN(Cc2nccs2)CCO1)c1nccn(C)c1=O 328640704 QBQSJOWJCITTFO-LBPRGKRZSA-N 335.433 0.574 0 50 ECAA CCc1ccc(CN2CCO[C@H](c3nnnn3CCOC)C2)nc1 215934455 VHIMNYQXLZMUKE-HNNXBMFYSA-N 332.408 0.850 0 50 ECAA Nc1ccc(C(=O)NC[C@H](c2ccccn2)N2CCOCC2)cn1 215140769 IRQAVPSCYCBSGS-OAHLLOKOSA-N 327.388 0.862 0 50 ECAA C[C@H]1CNCCN1C(=O)CNC(=O)c1cnc2ccccc2c1O 126433170 FGRDKBYTZGSZEF-NSHDSACASA-N 328.372 0.491 0 50 ECAA CN(CC(=O)N1C[C@H]2C[C@H](O)[C@H](O)C[C@H]2C1)Cc1ccc(F)cc1 221220277 KOXJQUCXEIDNEV-ULAZLLGUSA-N 336.407 0.848 0 50 ECAA CN(Cc1nccn1Cc1ccccc1)C(=O)CN1C(=O)CNC1=O 81089380 DESQRMBSMSYGIO-UHFFFAOYSA-N 341.371 0.442 0 50 ECAA O=C([C@@H]1CCCN1C(=O)c1cc(C(F)(F)F)n[nH]1)N1CCOCC1 97272344 LFMOGIABDZCKKP-JTQLQIEISA-N 346.309 0.892 0 50 ECAA Cn1c(=O)[nH]cc(Cc2ncnn2-c2ccc3c(c2)OCCO3)c1=O 91657008 JNYCFLUADQGMPF-UHFFFAOYSA-N 341.327 0.016 0 50 ECAA CC(C)c1cc(C(=O)NCCS(=O)(=O)N2CCCC2)n(C)n1 97815379 FECVYGZXJMUTDV-UHFFFAOYSA-N 328.438 0.699 0 50 ECAA CCN1C[C@H](C(=O)N(C)Cc2nc(-c3ccncc3)no2)CC1=O 91663846 ATZWBFAPLAWHKX-GFCCVEGCSA-N 329.360 0.958 0 50 ECAA Cc1nccc(N2CCN(C(=O)N3CCOCC3)C[C@@H](C(=O)O)C2)n1 97632016 UHVVGJWIRCULGY-ZDUSSCGKSA-N 349.391 0.060 0 50 ECAA CNC(=O)[C@H]1CN(S(=O)(=O)c2cccc(Cl)c2C)CCO1 181500651 CCNXSBLKYCSWGV-LLVKDONJSA-N 332.809 0.784 0 50 ECAA NC(=O)[C@@H]1C[C@@H](F)CN1C(=O)Cc1ccnc(O)c1Br 299746111 VJJUXGBYFFOMFX-SFYZADRCSA-N 346.156 0.517 0 50 ECAA CN1CCN(C2(CNc3[nH]c(=N)[nH]c4ncnc3-4)CCCC2)CC1 534575235 MZIKEUKOVHENGV-UHFFFAOYSA-N 330.440 0.689 0 50 ECAA CCc1ocnc1C(=O)N1CC[C@@H](NC(=O)c2cc(C)on2)[C@H](O)C1 299786330 QUWAGJBKAJPXBS-ZYHUDNBSSA-N 348.359 0.539 0 50 ECAA Cc1nnnn1CCC(=O)N[C@H](C)c1nc(-c2cccnc2)no1 299779491 VWIMMRWNQHAUFJ-SECBINFHSA-N 328.336 0.694 0 50 ECAA CCOc1cncc(CN2CC(N3C[C@H](C(=O)NC)CC3=O)C2)c1 685941551 ZBZOEVLQHUWJEW-CYBMUJFWSA-N 332.404 0.259 0 50 ECAA Cn1cnnc1CCC(=O)N[C@H]1CCOC[C@@H]1OCc1ccccn1 1565531459 XUQWBIZPNMKAIB-GJZGRUSLSA-N 345.403 0.633 0 50 ECAA O=C(NCc1ccoc1)N1CCN(c2cncc3ncnn23)CC1 276505904 PRQQFUFQQBOBEW-UHFFFAOYSA-N 327.348 0.749 0 50 ECAA CC(C)NC(=O)CN(C)CC(=O)N[C@@H]1CCCc2[nH]c(=O)ccc21 170599347 UUHPRZDWAYJPHV-CQSZACIVSA-N 334.420 0.325 0 50 ECAA CC[C@@H](N)C(=O)N1CCO[C@@H](c2ccc(S(C)(=O)=O)cc2)C1 638463567 AWSHTUVNBKAOEL-ZIAGYGMSSA-N 326.418 0.727 0 50 ECAA COCCN(C)S(=O)(=O)[C@H]1CCCN(Cc2c[nH]nc2C)C1 190832550 ZPYBSGVIRBHQDO-AWEZNQCLSA-N 330.454 0.591 0 50 ECAA COc1ccc2c(c1)CN(C(=O)CN1CCCC[C@@H](O)C1=O)CC2 644346027 WPPJFAZXEWXPAY-MRXNPFEDSA-N 332.400 0.953 0 50 ECAA CC(=O)N1CC(OCC(=O)N[C@@H]2CCC(=O)N[C@H]2C(C)(C)C)C1 644465006 IPNHAPQUFHGRGC-IUODEOHRSA-N 325.409 0.043 0 50 ECAA CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)Nc1c(C)noc1C1CC1 666700734 SRYQNIHLJBXETM-UWVGGRQHSA-N 329.378 0.794 0 50 ECAA CS(=O)(=O)NCc1cn(Cc2cn3cc(Cl)ccc3n2)nn1 656450760 FAWMKNAVZOLEAH-UHFFFAOYSA-N 340.796 0.677 0 50 ECAA O=C(NC1CC(N2CCCCC2)C1)N1CC[C@@](O)(c2cnn[nH]2)C1 794547553 VLYIVYWNUFSKSM-ZUEPYMLJSA-N 334.424 0.425 0 50 ECAA CN(C)S(=O)(=O)CCCN1CCCN(C(=O)c2ccoc2)CC1 1194819605 RAYNSKNNNFJZRP-UHFFFAOYSA-N 343.449 0.709 0 50 ECAA Cc1ccc(C(=O)N2C[C@@H](O)[C@H](CS(=O)(=O)N(C)C)C2)c(C)c1 1529105755 HSFAUPMIEDYOKA-DZGCQCFKSA-N 340.445 0.628 0 50 ECAA Cc1cc(C(=O)N2CCC3(CC2)NCC(C)(C)CNC3=O)nn1C 1772814398 WUKRIBQMQYGWGY-UHFFFAOYSA-N 333.436 0.449 0 50 ECAA Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)N[C@H](C)CCc1ccccc1 12407416 BRBCBBJUDRKBQL-SNVBAGLBSA-N 337.401 0.671 0 50 ECAA O=C(CCN1CCCO1)N[C@H]1C[C@H](c2nnc(CO)n2C2CC2)C1 219577525 LPRUYMLPSXDDCH-TXEJJXNPSA-N 335.408 0.495 0 50 ECAA O=C([C@H]1CCc2ncnn2C1)N1CCO[C@@]2(C[C@@H]3CC[C@H](C2)N3)C1 1857712862 VNDFPQSRDJNYBQ-SZOQZIPDSA-N 331.420 0.353 0 50 ECAA CN1CCN(c2cc(-c3cccc(CC(=O)O)c3)[nH]c(=N)n2)CC1 1857713915 XGURUWZMLRCSNV-UHFFFAOYSA-N 327.388 0.935 0 50 ECAA N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O 2004481 JAQGKXUEKGKTKX-HOTGVXAUSA-N 344.367 0.780 0 50 ECAA endogenous,in-man NC(=O)c1ccc(C(=O)NC2CC(N(CC(=O)O)CC3CC3)C2)nc1 337777238 YMYWZMZSGHOJMX-UHFFFAOYSA-N 346.387 0.238 0 50 ECAA O=C(O)[C@H]1Cn2c(O)nnc2CN1C(=O)c1ccsc1Cl 663056292 LYUPRIOHHADEJK-ZCFIWIBFSA-N 328.737 0.808 0 50 ECAA Cn1cc(O[C@@H]2COC[C@@H]2NC(=O)CCn2cc(Cl)cn2)cn1 862925832 QVIZEYJDQCPEBW-QWHCGFSZSA-N 339.783 0.623 0 50 ECAA C[C@@H]1CCC[C@H](C(=O)OC(C)(C)C)N1C(=O)CN(C)S(C)(=O)=O 863947287 NBHSZPVPCWXLDD-VXGBXAGGSA-N 348.465 0.989 0 50 ECAA CNC(=O)[C@]12CCOC[C@H]1CN(c1cncc(-n3ccnc3C)n1)C2 952849480 CZAXITDVPLCMFK-DYVFJYSZSA-N 342.403 0.560 0 50 ECAA COc1ncccc1CNC[C@H]1C[C@H](c2nc(N(C)C)n[nH]2)C[C@H]1O 952890524 VWTNBEYRJZWDJW-BFHYXJOUSA-N 346.435 0.919 0 50 ECAA Nc1ncc(S(=O)(=O)NCCc2nc3c(s2)CCCC3)cn1 877870790 FVKWDHXIXDZMKT-UHFFFAOYSA-N 339.446 0.915 0 50 ECAA CNS(=O)(=O)c1csc(C(=O)N2C[C@@H]3CN(C)C[C@]3(C)C2)c1 887932174 XPPRUDRXYQSXOI-IINYFYTJSA-N 343.474 0.680 0 50 ECAA O=C(NCc1nc2ccc(F)cc2[nH]1)[C@H]1CNCc2nccn2C1 2325780183 MLMSNHJXAVNMNX-JTQLQIEISA-N 328.351 0.934 0 50 ECAA Cn1nnnc1[C@H]1CN(Cc2noc(-c3ccccc3)n2)CCO1 2356140143 WDBTXTRBVBMCBV-GFCCVEGCSA-N 327.348 0.834 0 50 ECAA Cc1cnn(C[C@@H]2CN(C[C@@H](O)COC[C@H]3CCCO3)CCO2)c1 247161731 MJHZULBFVYSWDQ-ZACQAIPSSA-N 339.436 0.449 0 50 ECAA CN1CCN(C(=O)CCS(=O)(=O)N(C)C)[C@H](c2ccccc2)C1 136245351 DZDAWSVCKLOPDD-HNNXBMFYSA-N 339.461 0.783 0 50 ECAA CC[C@@H]1CN(CCn2cccn2)CCN1C[C@@H](O)Cn1cccn1 229530891 KLVNGCDZQWLTJI-IAGOWNOFSA-N 332.452 0.537 0 50 ECAA CC(C)N(CCOCCNC(=O)[C@@H]1CCCO1)C(=O)[C@H]1CCCO1 252508825 XUXRXKQPLPGIGM-LSDHHAIUSA-N 342.436 0.714 0 50 ECAA CC(C)CN1CCN(C(=O)c2ccon2)[C@H]2CS(=O)(=O)C[C@H]21 77337619 GOYNVGKQVINYTC-OLZOCXBDSA-N 327.406 0.254 0 50 ECAA CN(C)C(=O)c1c[nH]nc1[C@@H]1CCCN(Cc2nc(N(C)C)no2)C1 253396426 DMEMZMAVEJHIJI-LLVKDONJSA-N 347.423 0.940 0 50 ECAA CNC(=O)c1ccn([C@@H]2CCCN(c3nccn(C4CC4)c3=O)C2)n1 328627579 MYEXTKHVFDNDIZ-CYBMUJFWSA-N 342.403 0.976 0 50 ECAA C[C@H](C(=O)NCC1CCN(c2cnn(C)c(=O)c2)CC1)n1ccnc1 77321579 CBPOHGQDUPEVFH-CYBMUJFWSA-N 344.419 0.571 0 50 ECAA CNC(=O)[C@@H]1CCCN(C(=O)NCc2ccc(-n3ccnc3)nc2)C1 363179218 HMIBEJVZDCDCMQ-CQSZACIVSA-N 342.403 0.935 0 50 ECAA CC1(NC(=O)Cn2cc(S(N)(=O)=O)cn2)Cc2ccccc2C1 280878298 AZMNPBJAWUCEHA-UHFFFAOYSA-N 334.401 0.204 0 50 ECAA C[C@@H](NS(C)(=O)=O)C(=O)N1CCC[C@@]2(C1)OCc1ccccc12 364874991 FFBPFZXHFOXUJP-WBMJQRKESA-N 338.429 0.972 0 50 ECAA CC(C)CCc1noc(CN2CCO[C@@H](CN(C)CC(=O)O)C2)n1 370497803 DEZDFAOQKSQSLO-ZDUSSCGKSA-N 340.424 0.875 0 50 ECAA COc1ccc(C(=O)O)cc1S(=O)(=O)N[C@@H]1CCOC[C@H]1OC 219537844 FNORTPRGISEGJY-ZYHUDNBSSA-N 345.373 0.476 0 50 ECAA Cc1nc(O)c(Br)cc1C(=O)N1C[C@H](O)C[C@H]1CO 376013436 OEAXUFUUPBWUJK-JGVFFNPUSA-N 331.166 0.426 0 50 ECAA C[C@H]1CCC[C@@H](NC(=O)CN2CCN(C(=O)CNC3CC3)CC2)C1 237684131 YLQAQIQSSUQSAN-GOEBONIOSA-N 336.480 0.578 0 50 ECAA O=C(CN1CCOCC1=O)N[C@@H]1CCCN(c2ccccc2F)C1 242284628 YIIIRTLTINSTBN-CYBMUJFWSA-N 335.379 0.770 0 50 ECAA CC(C)(C)n1cc(C(=O)N2CCC[C@@](O)(Cn3ccnn3)C2)cn1 284557879 FVSHFFFMCGLNDT-INIZCTEOSA-N 332.408 0.897 0 50 ECAA CCO[C@@H]1COCC[C@H]1NC(=O)c1ccc2c(=O)n(C)cnc2c1 220384559 ZXWRZYCNHWPYOD-UKRRQHHQSA-N 331.372 0.857 0 50 ECAA Cc1nccn1CCNC(=O)[C@H]1Cc2ccccc2S(=O)(=O)N1 223345072 SKTHQUANKRUYPF-CYBMUJFWSA-N 334.401 0.211 0 50 ECAA CC(=O)NCc1cc2n(n1)CCN(C(=O)CCc1csc(N)n1)C2 426691315 RDYLGWGZHGUANZ-UHFFFAOYSA-N 348.432 0.533 0 50 ECAA C[C@H]1Cc2cc(C(=O)NCc3nc(N)nc(N(C)C)n3)ccc2O1 426624841 SCFYNTBBQNTPQG-VIFPVBQESA-N 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ECAA O=C(c1cnc(-c2ccccn2)nc1)N1C[C@H]2COC[C@@]2(CO)C1 2356167109 SIKHLHXHFWSMDI-GUYCJALGSA-N 326.356 0.620 0 50 ECAA COC(=O)[C@H](CO)NC(=O)C1CCN(C(=O)OC(C)(C)C)CC1 8145470 QUTCDUCYSGLFPQ-NSHDSACASA-N 330.381 0.284 0 50 ECAA CC(C)n1cc(CNc2cnn(CC(=O)NCCN(C)C)c2)nn1 342146483 BATLOZDSNZZPIP-UHFFFAOYSA-N 334.428 0.345 0 50 ECAA CN1C[C@@H]2CC[C@H](CC1=O)N2C(=O)c1cc(-n2cnnn2)ccc1O 67772611 OQQHQQSGKGHHMR-NEPJUHHUSA-N 342.359 0.203 0 50 ECAA CS(=O)(=O)NCC(=O)N1CCO[C@@H](c2ccc(Cl)cc2)C1 57047632 GHESQVOBWRWZBI-GFCCVEGCSA-N 332.809 0.789 0 50 ECAA Cn1c(=O)c2nc(CN3CC[C@@H](COC(F)F)C3)[nH]c2n(C)c1=O 353021013 CDGLYQAVMWWSRQ-MRVPVSSYSA-N 343.334 0.021 0 50 ECAA CN(CCO)C(=O)C[C@H]1C(=O)NCCN1CCCc1ccccc1 72154916 NZAPGSGPKILOIJ-INIZCTEOSA-N 333.432 0.260 0 50 ECAA O=C(CN1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F)N1CCNC1=O 121121601 BFSWAOHPOFDFCA-GXFFZTMASA-N 325.315 0.624 0 50 ECAA CCn1c(CC2CCN(C(=O)c3cccn(C)c3=O)CC2)n[nH]c1=O 71755407 IWCQTBVPGDMKPO-UHFFFAOYSA-N 345.403 0.385 0 50 ECAA O=C(NC1(C(=O)O)CCCC1)[C@@H]1Cc2ccccc2S(=O)(=O)N1 217867304 QAQPKJWGTXOXJU-NSHDSACASA-N 338.385 0.403 0 50 ECAA Cn1cc([C@@H](NC(=O)Cn2nc3ccccc3n2)[C@H]2C[C@H](O)C2)cn1 219976468 NYMGOHOYUCJBLR-PPHDSNJXSA-N 340.387 0.793 0 50 ECAA Cn1cc([C@H](NC(=O)c2ccc3[nH]nnc3c2)[C@H]2C[C@@H](O)C2)cn1 219881504 QKBZGWOFPIHWTO-IXPVHAAZSA-N 326.360 0.933 0 50 ECAA Cc1ccc(NC(=O)[C@@H]2CNCCN2C(=O)Cc2cc(C)no2)cn1 72174503 IMVIRNRBAKOTLD-HNNXBMFYSA-N 343.387 0.668 0 50 ECAA Cn1cc([C@H]2CNC[C@@H]2C(=O)NCc2nc3ccccc3n2C)cn1 262152461 HWORXYYZDYMQMX-KGLIPLIRSA-N 338.415 0.926 0 50 ECAA CCS(=O)(=O)c1cccc(S(=O)(=O)N2CCCC[C@H]2CN)c1 237082861 UHHKRKKZDVMGQM-LBPRGKRZSA-N 346.474 0.982 0 50 ECAA O=C(NC[C@H]1CCS(=O)(=O)C1)c1ccc(SCCO)cc1 215536425 DZERVRQLFDHKSG-LLVKDONJSA-N 329.443 0.936 0 50 ECAA C[C@@]1(c2ccc(C(=O)N3CCCC[C@H]3CN)cc2)NC(=O)NC1=O 237368339 DXRJSFULIWEGKN-GUYCJALGSA-N 330.388 0.695 0 50 ECAA COC(=O)c1ccc(CN2CCCC[C@@H]2CNS(C)(=O)=O)nc1 241846643 SMOHCNDXNCSSDR-CQSZACIVSA-N 341.433 0.772 0 50 ECAA O=C(CN1CCN(c2ccccn2)CC1)N[C@@H]1CCc2[nH]ncc2C1 173572298 QZUQYXDMVJEGAB-OAHLLOKOSA-N 340.431 0.600 0 50 ECAA CC(C)S(=O)(=O)N1CCC[C@H](c2nnc(CN(C)C)n2C)C1 72419937 ZIARPHIEVWGSGV-LBPRGKRZSA-N 329.470 0.794 0 50 ECAA CN(C)CCO[C@H]1CCOC[C@H]1NC(=O)c1cnc(C2CC2)nc1 223224585 MTYQTEHRPNOEHZ-CABCVRRESA-N 334.420 0.820 0 50 ECAA NC(=O)[C@@]1(O)CCCN(C(=O)COc2ccc3c(c2)CCCC3)C1 284824886 CDJZVHFLKAVZGD-GOSISDBHSA-N 332.400 0.783 0 50 ECAA CC(=O)N1CCC[C@@](O)(C(=O)N2CCN(c3ccccc3)CC2)C1 285693766 IJKIDXQTKRDHIK-SFHVURJKSA-N 331.416 0.709 0 50 ECAA Cc1nnc(SCC(=O)NCCSc2nnnn2C)s1 220637619 ZBEIOTPAANJEDD-UHFFFAOYSA-N 331.452 0.371 0 50 ECAA CN1C[C@H]2CN(C(=O)c3ccc(-c4cc(O)nc(N)n4)cc3)C[C@H]2C1 426531870 VNHCANPGYVBKBZ-OKILXGFUSA-N 339.399 1.065 0 50 ECAA CN1CCC[C@@H](C(=O)N2CCC(c3nccn3CC(N)=O)CC2)C1 95525823 SODZYXWYVGMHSQ-CQSZACIVSA-N 333.436 0.416 0 50 ECAA Cc1ccc(C)c2c(=O)cc(CNCCc3n[nH]c(=O)n3C)[nH]c12 91859761 OSUNMRHGBCKRLY-UHFFFAOYSA-N 327.388 0.899 0 50 ECAA Cc1cc(C(=O)NC[C@@H]2CN(S(C)(=O)=O)CCO2)cnc1C 97334215 LTCAFADXBDUYIY-CYBMUJFWSA-N 327.406 0.089 0 50 ECAA Cc1nc2sc(C(=O)N[C@@H]3C=CS(=O)(=O)C3)c(C)c2c(=O)[nH]1 97574940 NGPPCRYSIUCWOF-MRVPVSSYSA-N 339.398 0.642 0 50 ECAA CNC(=O)CN1CCC2(CCC(=O)N(Cc3cnc(C)cn3)C2)CC1 91964758 ODEVXZMZUWSYON-UHFFFAOYSA-N 345.447 0.736 0 50 ECAA CCn1nc(CNC(=O)[C@@]23CNC[C@@H]2CN(C)C3)c2ccccc21 96138191 YONVUCJPYBCTBY-FZKQIMNGSA-N 327.432 0.824 0 50 ECAA CCn1cc(O[C@@H]2CN(c3nccn4nc(C)cc34)C[C@H]2O)cn1 624421152 UHPYDYXJWBHNJY-HUUCEWRRSA-N 328.376 0.883 0 50 ECAA O=C(O)C[C@H](NC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccc(F)cc1 299753746 ZENACERGYLMCAG-PWSUYJOCSA-N 329.349 0.892 0 50 ECAA NC(=O)c1ncn([C@@H]2CCCN(Cc3cnn4ccccc34)C2)n1 299739109 KOPPNKPMIFFSOJ-CYBMUJFWSA-N 325.376 0.862 0 50 ECAA COC(=O)C[C@H](c1cnn(C)c1)c1c(O)ncc(C(=O)OC)c1O 253623634 CKOTVHNOZPWVMC-SECBINFHSA-N 335.316 0.708 0 50 ECAA biogenic Cc1cccn2c(CC(=O)N3CC[C@@H](CS(N)(=O)=O)C3)cnc12 299760487 UFAUUCLFAQKFJG-GFCCVEGCSA-N 336.417 0.322 0 50 ECAA CCc1nnc(CN2CC[C@@H](NC(=O)c3cc(C)on3)[C@H](O)C2)o1 299779380 FKKCHVINORQSLO-ZYHUDNBSSA-N 335.364 0.294 0 50 ECAA COCCn1cnnc1CCNC(=O)c1nnc(O)c2ccccc12 952969201 RMZZCYDSKSILAE-UHFFFAOYSA-N 342.359 0.546 0 50 ECAA Cc1nn[nH]c1C(=O)N[C@H]1CCOC[C@@H]1OCc1c(C)noc1C 1565508205 GPMYZOJCGLPVJD-STQMWFEESA-N 335.364 0.822 0 50 ECAA C[C@H]1C(=O)N(C)CCN1S(=O)(=O)c1ccc(C(F)(F)F)nc1 188363828 AHLVZBGGNAARNG-QMMMGPOBSA-N 337.323 0.952 0 50 ECAA NC(=O)C1(NC(=O)[C@H]2CCCN(CC(F)(F)F)C2)CCOCC1 676280474 HXAOZDDCRKRBLD-JTQLQIEISA-N 337.342 0.411 0 50 ECAA O=C(O)C[C@H]1COCCN1S(=O)(=O)c1ccc2nc(O)oc2c1 776689694 DJUWPDIMARANPG-QMMMGPOBSA-N 342.329 0.398 0 50 ECAA Nc1ncc(/C=C/C(=O)N[C@@H](COCc2ccccc2)C(=O)O)cn1 1506419450 CGNQQFYOXPSVPI-UZYOAWRESA-N 342.355 0.858 0 50 ECAA CN(C)S(=O)(=O)C[C@@H]1CN(c2cc(C3CC3)ncn2)C[C@H]1O 1529160138 YICCKECOFFPVPM-WCQYABFASA-N 326.422 0.043 0 50 ECAA COCCn1ccnc1CN1CCCN(C(=O)[C@@H]2CCOC2)CC1 1529190378 HSFCTNCUTRKEHA-OAHLLOKOSA-N 336.436 0.600 0 50 ECAA O=C1[C@@H]2CSCN2C(=O)[C@H]2CN(Cc3cccc(F)c3)CCN12 14743393 DUXXNPKVEWPEGN-KGLIPLIRSA-N 335.404 0.754 0 50 ECAA O=C(c1cc(F)ccc1F)N1CCN2C(=O)[C@@H]3CCCN3C(=O)[C@H]2C1 14747414 MLHXAUXTCHBMPX-UONOGXRCSA-N 349.337 0.622 0 50 ECAA O=C(CC[C@H]1NC(=O)N(CCc2ccccc2)C1=O)N1CCOCC1 206235085 FIDZIBMGJNGCDR-OAHLLOKOSA-N 345.399 0.789 0 50 ECAA Cc1cccc(F)c1C(=O)N1C[C@H]2[C@H](N(C)C)CS(=O)(=O)[C@H]2C1 1857700411 HGFYOCJOSFVUIQ-YUTCNCBUSA-N 340.420 0.933 0 50 ECAA NC(=O)c1cn2c(n1)CCN(C(=O)[C@@H]1COc3ccccc3O1)CC2 1875242089 MZSYYWQRJQUPJP-AWEZNQCLSA-N 342.355 0.207 0 50 ECAA N=c1cc(-c2ccc([C@H]3CNC(=O)C3)cc2)nc(N2CCOCC2)[nH]1 1875250575 NJVDWAVFXKUIRS-CQSZACIVSA-N 339.399 0.996 0 50 ECAA Cc1ccc([C@H](CC(=O)O)NS(=O)(=O)N2CCOCC2)cc1 328590504 HPHIWTJSLTZKRP-ZDUSSCGKSA-N 328.390 0.677 0 50 ECAA CN(C)C(=O)c1cnc(N2CCC[C@](O)(CC(N)=O)C2)c(Cl)c1 643714446 TVEOPLBIZZLYKU-HNNXBMFYSA-N 340.811 0.644 0 50 ECAA O=C(O)c1cn([C@H]2CCCN(S(=O)(=O)c3ccco3)C2)nn1 647623675 BAXXMCYAMYVACE-VIFPVBQESA-N 326.334 0.595 0 50 ECAA Cn1cc([C@@H]2CS(=O)(=O)CCN2Cc2cnn(CCF)c2)cn1 930256994 SHHQXAGTUAGKLL-AWEZNQCLSA-N 341.412 0.558 0 50 ECAA CN(C)c1nc(O)cc([C@H]2CCN(C(=O)c3ccn(C)c(=O)c3)C2)n1 864842236 USEQEIFQWFPWTL-LBPRGKRZSA-N 343.387 0.577 0 50 ECAA COc1cc(S(=O)(=O)N[C@@H](C)CCN2CCN(C)CC2)sn1 952881409 OCRCOACTMHLYDQ-NSHDSACASA-N 348.494 0.456 0 50 ECAA Cc1ccc(CNC(=O)[C@H]2CCCN2[C@H]2CCS(=O)(=O)C2)n1C 1875263660 PLCRNWSQIHBGCT-LSDHHAIUSA-N 339.461 0.601 0 50 ECAA C[C@]12COC(=O)N1CCN(C(=O)C(=O)Nc1cccc(F)c1F)C2 1875288847 GPRVPNNDTPUJHP-HNNXBMFYSA-N 339.298 0.956 0 50 ECAA CCn1nc(C)c(Cn2nnc([C@@]3(C(F)(F)F)CCCN3)n2)n1 1875282266 VPIJPYILLYJZDG-LLVKDONJSA-N 330.318 0.782 0 50 ECAA O=C(Cn1cnnc1)N1CC[C@H](CN=c2[nH]c3c(F)cccc3o2)C1 1875332402 QNNFDRAEWVTVPP-LLVKDONJSA-N 344.350 0.941 0 50 ECAA Cc1ccccc1-n1cc(C(=O)N[C@H]2C[C@@H](O)[C@@H]2n2cccn2)nn1 888079212 LJAZJYHHZGBTRU-APHBMKBZSA-N 338.371 0.877 0 50 ECAA O=S(=O)(C[C@H]1C[C@@H]2COC[C@@H]2O1)N[C@H]1COc2ccccc2C1 1775985120 ZQJWZXKLEQTZEH-KQTLUZQSSA-N 339.413 0.713 0 50 ECAA CN(C)c1nc(N)nc(CSc2nnnn2-c2ccc(F)cc2)n1 615872 VCNPCMAGVUNGHH-UHFFFAOYSA-N 347.383 0.927 0 50 ECAA CCc1nc(CN2CCN(C(=O)c3ccc4[nH]nnc4c3)CC2)no1 109877065 UXQAJDQPUHCWMY-UHFFFAOYSA-N 341.375 0.861 0 50 ECAA O=C(Cn1cnnn1)NCc1cccnc1N1CCc2ccccc2C1 23158525 UJMXXOICPZNPRJ-UHFFFAOYSA-N 349.398 0.947 0 50 ECAA O=C1C[C@H]2CC[C@@H](CN1)N2C(=O)CCc1nc(-c2ccncc2)no1 65456307 NPNDMUIOXGIGRL-OLZOCXBDSA-N 341.371 0.944 0 50 ECAA C[C@@H](Oc1cccnc1)C(=O)N[C@@H]1CCCN(c2ncc[nH]c2=O)C1 352562287 JBXZMICDDKKATB-CHWSQXEVSA-N 343.387 0.717 0 50 ECAA CC(C)N(CCOCCNC(=O)[C@H]1CCCO1)C(=O)[C@@H]1CCCO1 252508822 XUXRXKQPLPGIGM-CABCVRRESA-N 342.436 0.714 0 50 ECAA CCCn1nnnc1CN1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 229306095 RLUCYJSOEPIVQC-ZFWWWQNUSA-N 335.456 0.068 0 50 ECAA Cc1nc(C)n(C[C@H]2CN([C@@H](C)C(=O)Nc3cc(C)on3)CCO2)n1 229500167 BJZOCGWVWJEEOV-SMDDNHRTSA-N 348.407 0.919 0 50 ECAA O=C(COC[C@H]1CCCO1)N1CCC(C(=O)O)(n2cccn2)CC1 72427200 PAXDMNPPPFZHCQ-CYBMUJFWSA-N 337.376 0.481 0 50 ECAA Cc1nnc(N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)s1 253429285 MPOYEFOZCLNGND-NSHDSACASA-N 332.451 0.477 0 50 ECAA CC(=O)NCC(=O)NS(=O)(=O)Cc1cccc(Br)c1 253432110 WMDYANYEVHFFRL-UHFFFAOYSA-N 349.206 0.531 0 50 ECAA CCc1cc(O)nc(CN2C[C@@H](OC)C[C@H]2C(=O)N2CCCC2)n1 284716175 RYLBZFKATVURSD-KBPBESRZSA-N 334.420 0.956 0 50 ECAA C[C@H](c1cccnc1)N(C)C(=O)C1CCN(S(N)(=O)=O)CC1 330542590 SMMQMEKUYPZXNZ-LLVKDONJSA-N 326.422 0.517 0 50 ECAA Cc1cc(C(F)(F)F)nc(CCNC(=O)C[C@H]2COCCN2)n1 72136981 GBWGKAXWIMBIPS-JTQLQIEISA-N 332.326 0.841 0 50 ECAA CC(=O)NC[C@H]1CN([C@@H]2CCCN(CC(C)(C)C)C2=O)CCO1 330908448 UGFMLRJESFVUSE-LSDHHAIUSA-N 325.453 0.860 0 50 ECAA CS(=O)(=O)N[C@H]1CCC[C@H]1CNC(=O)c1cc(C2CC2)no1 281912863 IVHJMQOIDLLJLR-QWRGUYRKSA-N 327.406 1.000 0 50 ECAA O=C(O)[C@@H]1COCCN1C(=O)c1ccnc(OCC(F)(F)F)c1 262769932 MGEJQLSCRAIXAZ-VIFPVBQESA-N 334.250 0.948 0 50 ECAA O=C(NCC(F)(F)CO)[C@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 373352301 DQMYRUXEPWHCSS-VIFPVBQESA-N 342.298 0.512 0 50 ECAA CS(=O)(=O)c1cc(C(=O)N[C@@H](C(=O)O)[C@@H]2CCCOC2)cs1 263293910 RUYUPWXKLICSPW-LDYMZIIASA-N 347.414 0.761 0 50 ECAA CS(=O)(=O)c1ccccc1S(=O)(=O)N[C@@H]1CCCC[C@H]1CN 237420476 BMKBWWXJEOXVFL-NWDGAFQWSA-N 346.474 0.886 0 50 ECAA CS(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2CN)cc1F 237441814 FPWKTTLKHRHHIU-SECBINFHSA-N 336.410 0.341 0 50 ECAA CCS(=O)(=O)N1CCC[C@H](C(=O)N2CCOC(F)(F)C2)C1 606445766 QNRKHECKMVCZFU-JTQLQIEISA-N 326.365 0.500 0 50 ECAA CS(=O)(=O)N1CCCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 45321049 JVBNDDFFQWUWAE-AWEZNQCLSA-N 340.401 0.320 0 50 ECAA Cn1cc([C@H](NC(=O)c2cnn3ccn(C)c23)[C@H]2C[C@@H](O)C2)cn1 223630251 JWIQXYYKWOLRQI-MPKXVKKWSA-N 328.376 0.648 0 50 ECAA COC(=O)N[C@@H](C)C(=O)N1CCN(c2ccccc2OC)C(=O)C1 426531739 NGRDVCJYTZQJNE-NSHDSACASA-N 335.360 0.615 0 50 ECAA CC(C)(C(=O)N[C@@H](Cc1ccncc1)[C@H]1C[C@H](O)C1)N1CCOCC1 222265669 ZVVONQFRUUBCDK-BBWFWOEESA-N 347.459 0.991 0 50 ECAA COCCN1C[C@H](C(=O)N2CCN(c3ncccn3)CC2)CCC1=O 92062466 KXZWHWJDOUJOAU-CQSZACIVSA-N 347.419 0.010 0 50 ECAA COC(=O)C[C@H]1Oc2ccccc2N(Cc2nc(C)nn2C)C1=O 95362618 MTYSOXZIVWUGGY-CYBMUJFWSA-N 330.344 0.981 0 50 ECAA O=C(NCc1nnn[nH]1)c1coc(COc2ccc3c(c2)OCO3)n1 91858093 BXXWUZUCHJKRMD-UHFFFAOYSA-N 344.287 0.425 0 50 ECAA CCn1nc(C)c(CN(CCOC)C(=O)[C@@H]2CC(=O)N(C)C2)c1C 97425594 AYDVYYUTWDCLCI-CQSZACIVSA-N 336.436 0.973 0 50 ECAA Cn1cc(C(=O)N2CC[C@@H](Cc3ccc(CO)cc3)C2)c(=O)[nH]c1=O 91526633 BLMXMVALLJPSPB-AWEZNQCLSA-N 343.383 0.271 0 50 ECAA C[C@]1(NC(=O)[C@@H]2CC(=O)NC(=O)N2)CCN(Cc2ccccc2)C1 616561737 HQZCRLWKQPUFEW-GUYCJALGSA-N 330.388 0.365 0 50 ECAA CS(=O)(=O)N1CCC2(CCC(=O)N(C[C@H]3CCCO3)C2)CC1 91807140 VOEIVNZYBZPHAO-CYBMUJFWSA-N 330.450 0.830 0 50 ECAA CCN1C[C@H](C(=O)N2CCc3cc(C(=O)NC)n(C)c3C2)CC1=O 95380483 HEUOKPOPQCQHPA-GFCCVEGCSA-N 332.404 0.138 0 50 ECAA Cc1c([C@@H](C)NC(=O)CN2C(=O)CNC2=O)cnn1-c1ccccn1 92080947 MODFZDGFKXMHBR-SNVBAGLBSA-N 342.359 0.305 0 50 ECAA O=C(O)CCN(C[C@@H]1CCCO1)C(=O)Cn1c(=O)[nH]c2ccccc21 299747791 FCAMRQUECWBCMJ-LBPRGKRZSA-N 347.371 0.812 0 50 ECAA 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336.377 0.691 0 50 ECAA CCc1cc(N2CCC[C@H](NC(=O)[C@@]3(N)C[C@H](O)C3(C)C)C2)ncn1 2325849508 REVGHEVOYIFNRB-DEYYWGMASA-N 347.463 0.612 0 50 ECAA O=C(c1ccc(O)nn1)N1CCc2nc(C3CCOCC3)nn2CC1 2356169825 IEUMFGTVFLSQKG-UHFFFAOYSA-N 344.375 0.366 0 50 ECAA C[C@H](c1nnnn1C)N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 249260614 HVDBAVMJHWYSEE-DGCLKSJQSA-N 342.469 0.598 0 50 ECAA COc1ccc(C(=O)N2CCCN(S(C)(=O)=O)CC2)c(OC)c1 24777133 TUCXILXDHCPUGC-UHFFFAOYSA-N 342.417 0.811 0 50 ECAA O=C(NC[C@@H]1CCCN(Cc2ccco2)C1)c1c[nH]c(=O)[nH]c1=O 67852075 BPLLSYNOIINZAQ-NSHDSACASA-N 332.360 0.298 0 50 ECAA CCn1ncnc1CN1CC[C@@H](CNC(=O)c2ccc[nH]c2=O)C1 67559162 GJFJQUNJMPTHSR-LBPRGKRZSA-N 330.392 0.238 0 50 ECAA Cc1cc([C@@H]2CCCN2CC(=O)N[C@H]2CCS(=O)(=O)C2)on1 252512224 OETHQANJOLZJNO-RYUDHWBXSA-N 327.406 0.423 0 50 ECAA CCn1ccnc1CN1CCN(CC(=O)N2CCO[C@H](C)C2)C[C@H]1C 252504409 AXDCPEPUFPOPAG-HZPDHXFCSA-N 349.479 0.656 0 50 ECAA Cc1noc(C)c1S(=O)(=O)N1CCC[C@](O)(CN(C)C)CC1 72156729 UUIMZWXNWXTDAQ-CQSZACIVSA-N 331.438 0.759 0 50 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Cn1ncc2c(N3C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C3)ncnc21 664193685 STKFMKKLSYLWBW-IUCAKERBSA-N 349.338 0.775 0 50 ECAA CNC(=O)COc1cccc(CC(=O)N[C@H]2CC[C@H](CN)CC2)c1 638950324 RBWDMGAGBDRMCP-CTYIDZIISA-N 333.432 0.988 0 50 ECAA O=S(=O)(CC1CC(F)(F)C1)N[C@@H]1CCC[C@@H]1N1CC[C@@H](O)C1 643770559 OGOILPAOOFYTKT-UPJWGTAASA-N 338.420 0.939 0 50 ECAA COc1cccc([C@H]2CN(C(=O)CN3CCOC3=O)C[C@@H]2C(=O)O)c1 222482930 GSHPHDSVORJUDZ-KGLIPLIRSA-N 348.355 0.774 0 50 ECAA COc1ccc(S(=O)(=O)N2CC(=O)N(C)C2)cc1Br 330756028 XGIIEARZAZKTAI-UHFFFAOYSA-N 349.206 0.878 0 50 ECAA C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@H]3CC[S@](=O)C3)S[C@H]12 5751655 FLSUCZWOEMTFAQ-PRBGKLEPSA-N 349.455 0.406 0 50 ECAA investigational COCCN1C(=O)N(CC(C)C)C(=O)C12CCN([C@H](C)CO)CC2 14537643 MFJZGWWLRHVLLV-CQSZACIVSA-N 341.452 0.768 0 50 ECAA CC[C@@H]1NC(=O)[C@@H]2C[C@H](NC(=O)Nc3ccccc3F)CN2C1=O 14731273 OUTBQOXKAFHEOH-GAFUQQFSSA-N 334.351 0.825 0 50 ECAA O=C(CN1CCc2ccccc2C1)N1C[C@@H]2CCOC[C@]2(C(=O)O)C1 1857669528 JZPVTJUZEOXLOX-QFBILLFUSA-N 344.411 0.994 0 50 ECAA COc1ccccc1CNC(=O)CN1C[C@@H]2CCOC[C@]2(C(=O)O)C1 1857669578 DBLSBCQJDZIIQZ-KBXCAEBGSA-N 348.399 0.735 0 50 ECAA CCCc1nnc(N2C[C@H](C(=O)NCCn3cccn3)CC2=O)s1 1857711150 KJJZXFAXUUPXAG-LLVKDONJSA-N 348.432 0.856 0 50 ECAA COc1cc(C)ccc1C(=O)N1C[C@H]2COC[C@@H]1CN(CC(=O)O)C2 1704311132 ZHFSMKSLYRHZSI-KBPBESRZSA-N 348.399 0.861 0 50 ECAA C[C@H](NC(=O)N1CCn2c(cnc2C(F)(F)F)C1)C(=O)N(C)C 914169484 UUCLHTFJARUODQ-QMMMGPOBSA-N 333.314 0.904 0 50 ECAA O=Cc1cn(CC(=O)N2CC3(C[C@@H](O)CNC3=O)C2)c2ccccc12 952883690 WTUSLQOHSPXABW-CYBMUJFWSA-N 341.367 0.163 0 50 ECAA Cc1ccc(S(=O)(=O)N(C)Cc2nnc3n2CCNC3=O)c(C)c1 952884044 SFEDPFOEZHRNGA-UHFFFAOYSA-N 349.416 0.459 0 50 ECAA Cc1nccn1CC(=O)NC[C@@H]1OCCN(C)[C@H]1c1ccnn1C 886079441 ALRPGTNLDGAMBE-HOCLYGCPSA-N 332.408 0.113 0 50 ECAA COC(=O)c1cc(S(=O)(=O)N2CC[C@@]3(CCCN3C)C2)c[nH]1 1775985040 XRVZOEMUZLQVCU-AWEZNQCLSA-N 327.406 0.660 0 50 ECAA CC1(C)OC[C@H]([C@@H](O)CNC(=O)c2ccc(OC(F)F)cn2)O1 1776000082 WDHFGLGPNIXYHN-WDEREUQCSA-N 332.303 0.925 0 50 ECAA Cc1occc1C(=O)N1CC[C@@H](CN(C)C(=O)[C@H]2CNC(=O)C2)C1 2325827225 ZOEHVSGBBQSJMG-QWHCGFSZSA-N 333.388 0.645 0 50 ECAA CC(=O)NC1CC([C@H]2CCN(C(=O)c3ccn4nnnc4c3)C2)C1 2325849472 QIAGYUPWRMUCRF-HSBZDZAISA-N 328.376 0.501 0 50 ECAA O=C1COC2(CCN(C(=O)c3cnc4ccccc4n3)CC2)CN1 2356148799 SROZVULOFSDZAE-UHFFFAOYSA-N 326.356 0.751 0 50 ECAA CS(=O)(=O)N1CCc2cc(S(=O)(=O)N3CCOCC3)ccc21 10119370 JBWUFYMIXDKIMT-UHFFFAOYSA-N 346.430 0.030 0 50 ECAA CCN(C(=O)CSc1ccccc1)[C@H]1CS(=O)(=O)C[C@@H]1O 55108693 NBGUMIFBTPZUKA-STQMWFEESA-N 329.443 0.785 0 50 ECAA CO[C@H]1C[C@@H](CN(C)C(=O)Cc2ccc(-n3cnnn3)cc2)N(C)C1 344490540 DREKWNZGEUKRHG-HOTGVXAUSA-N 344.419 0.382 0 50 ECAA O=C1NCC(=O)N2CCN(C(=O)c3cc4c(s3)CCCCC4)C[C@H]12 65425535 WRKDUSZHVYARCN-GFCCVEGCSA-N 347.440 0.800 0 50 ECAA CN(C)[C@@H](C(=O)N1CCC(O)(CO)CC1)c1ccc2c(c1)OCO2 67974352 YQMVHWNTLWBAGG-OAHLLOKOSA-N 336.388 0.364 0 50 ECAA O=C(O)c1cc2n(n1)CCN(C(=O)c1cccc(-n3cnnc3)c1)C2 65383937 IJACKMYFBICXEF-UHFFFAOYSA-N 338.327 0.818 0 50 ECAA CC1(C)CN(CCNC(=O)N2CCC3(CC2)OCCO3)CCO1 253392579 DJVILCVQQMPRGB-UHFFFAOYSA-N 327.425 0.646 0 50 ECAA CCn1ccnc1CN1CCN(c2ccc3nnnn3n2)C[C@H]1C 252506812 VPXBCLUSKQURPO-GFCCVEGCSA-N 327.396 0.446 0 50 ECAA CCOC(=O)C[C@H]1C(=O)NCCN1S(=O)(=O)c1ccccc1 1391753 AKYICDAFJXEQMB-LBPRGKRZSA-N 326.374 0.129 0 50 ECAA CC(=O)N1CCN(Cc2cccc(F)c2)[C@H]2CS(=O)(=O)C[C@H]21 72436006 SABZSGQGMWZQLI-LSDHHAIUSA-N 326.393 0.655 0 50 ECAA Cc1ccc2nc(CCNC(=O)[C@H](C)NS(C)(=O)=O)[nH]c2c1C 71385585 JVSVGVTXKDRIAZ-NSHDSACASA-N 338.433 0.776 0 50 ECAA CN(CC(=O)N1C[C@H](O)C[C@@H]1c1ccc(F)c(F)c1)S(C)(=O)=O 330552646 NWYPQMPNYSVKIW-ZWNOBZJWSA-N 348.371 0.491 0 50 ECAA Cc1c(CN2CCOC[C@H](CO)C2)c(=O)n(-c2ccccc2)n1C 72411806 KLRGRDHQZRJTMI-HNNXBMFYSA-N 331.416 0.925 0 50 ECAA CN(C)C(=O)c1cncc(N2CCC3(CC2)C[C@H](C(=O)O)N(C)C3)n1 72152212 UTZUMJCAPGQXHL-CYBMUJFWSA-N 347.419 0.554 0 50 ECAA CO[C@H]1C[C@@H](C(N)=O)N(C(=O)c2ccc(N3CCC(C)=N3)cc2)C1 284982166 XPUCVOLUJAGXFZ-GJZGRUSLSA-N 330.388 0.987 0 50 ECAA C[C@H](Cn1cccn1)NC(=O)COc1cccc(-n2cnnn2)c1 223393165 SPYGSRJFKFQNNB-GFCCVEGCSA-N 327.348 0.443 0 50 ECAA O=C(c1ccc2[nH]nnc2c1)N1CCN([C@@H]2CN3CCC2CC3)CC1 82133874 XSRBWPABJJHJJJ-QGZVFWFLSA-N 340.431 0.810 0 50 ECAA Cc1c(C(=O)N2CCN(CC(C)C)CC2)nnn1C1CCNCC1 236794356 OWXNFXYKNCAWNC-UHFFFAOYSA-N 334.468 0.925 0 50 ECAA O[C@@H]1CCCOC12CCN(c1cc(N3CCOCC3)ncn1)CC2 91410363 FYOZWKJVFBXJBS-CQSZACIVSA-N 334.420 0.824 0 50 ECAA Cc1c[nH]nc1CN1CCN(S(=O)(=O)Cc2ccon2)CC1 290497084 SEYPETPXCFOUSZ-UHFFFAOYSA-N 325.394 0.354 0 50 ECAA NC(=O)N1CCC[C@H](C(=O)NCc2nnnn2-c2ccccc2)C1 91587255 KMANFWOYMRIGRB-NSHDSACASA-N 329.364 0.069 0 50 ECAA COCCN1CCC[C@]2(CCN(C(=O)N3CCN(C)CC3)C2)C1=O 91754551 BACYQEBVSSULQQ-QGZVFWFLSA-N 338.452 0.315 0 50 ECAA CCN1CCC[C@H]1CN1C[C@H](C(=O)NCc2cnn(C)c2C)CC1=O 179909948 HJPIYGJAOFGTJE-ZBFHGGJFSA-N 347.463 0.678 0 50 ECAA O=C(Cn1ccccc1=O)N[C@@H](Cc1ccncc1)[C@H]1C[C@H](O)C1 244764086 PBEMCZSMIZJMAR-JYJNAYRXSA-N 327.384 0.742 0 50 ECAA COC(=O)c1cn(CC(=O)NCc2ccco2)cc2c(=O)[nH]nc1-2 263587058 BNKXBJVYXPGHMO-UHFFFAOYSA-N 330.300 0.372 0 50 ECAA O=C(O)c1ccccc1C(=O)N1CCCO[C@@H](CN2CCOCC2)C1 534590651 GPUZCHDHZMCJFN-AWEZNQCLSA-N 348.399 0.948 0 50 ECAA COC(=O)c1cn(CC(C)(C)N2CCOCC2)cc2c(=O)[nH]nc1-2 263587059 BNPGZNHSGBQKOO-UHFFFAOYSA-N 334.376 0.574 0 50 ECAA CCCn1nccc1S(=O)(=O)NCCN1CCCC[C@H]1CO 670458908 QMTFGONHMDNTCD-ZDUSSCGKSA-N 330.454 0.418 0 50 ECAA CCN(C(=O)NCCc1nc(C2CC2)no1)[C@@H]1CCS(=O)(=O)C1 670442342 KJBIGEYNTLVIBX-LLVKDONJSA-N 342.421 0.708 0 50 ECAA CN(C)C(=O)[C@@H]1CC(=O)N(C2CN(c3ncnc4c3CCC4)C2)C1 685941563 ZJOWDDGJYNQTCV-LLVKDONJSA-N 329.404 0.091 0 50 ECAA COc1ccccc1OCC(=O)N[C@H]1COC[C@H]1Oc1cn[nH]c1 685941872 JYIXNWZABZHOFY-SWLSCSKDSA-N 333.344 0.760 0 50 ECAA C[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCN(C)CC1)N(C)C 1471796345 BNSOVHMTALUJEA-RDJZCZTQSA-N 346.475 0.438 0 50 ECAA COc1ccc(Cn2ccc(NC(=O)N[C@H]3CNC(=O)C3)n2)cc1 408514718 UJVVTHDSFUTNGO-GFCCVEGCSA-N 329.360 0.950 0 50 ECAA O=C(NC[C@@H]1CCCO1)N1CCN(c2cncc3ncnn23)CC1 275564443 DYWOGNHHSXGWBM-LBPRGKRZSA-N 331.380 0.135 0 50 ECAA N[C@H](c1cn(CC(=O)N2CCOC[C@@H]2C2CC2)nn1)[C@@H]1CCCO1 641155793 FRUPBRQEDOURGR-IJEWVQPXSA-N 335.408 0.094 0 50 ECAA O=C(O)COc1cccc(C(=O)N2CCC[C@H](c3nc(O)n[nH]3)C2)c1 659760389 MYAGPQLKUHGNAN-NSHDSACASA-N 346.343 0.994 0 50 ECAA CN(C)C(=O)CCN1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 662338019 OWYHVEPEXOSQRH-CQSZACIVSA-N 334.468 0.477 0 50 ECAA CC1(C)C[C@]1(C(=O)O)C(=O)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 663061342 GSRBBPMPEHIOHX-HZPDHXFCSA-N 337.376 0.324 0 50 ECAA O=C(c1cccc(F)c1F)N1CCN2C(=O)[C@H]3CCCN3C(=O)[C@H]2C1 14542479 MFCORGQCVWNQSZ-CHWSQXEVSA-N 349.337 0.622 0 50 ECAA Cn1cc(-n2nc(CC(N)=O)nc2-c2cc(C3CC3)n(C)n2)cn1 1857673196 OVAAPJKSBFFIPC-UHFFFAOYSA-N 326.364 0.307 0 50 ECAA CN1C(=O)CCO[C@H]2CN(C(=O)c3ccc4c(c3)OCCO4)C[C@@H]21 1857695550 ODAFWHKEXWHGFE-WFASDCNBSA-N 332.356 0.530 0 50 ECAA CCc1cnc(CCNC(=O)C2=C(C)N(C)c3nnnn3C2)s1 252486497 HMGFEUATQOCUAI-UHFFFAOYSA-N 333.421 0.775 0 50 ECAA CNc1nc(N2CC[C@H](N3CCOCC3)[C@@H](O)C2)nc2c1CCC2 248040925 KSWPYHASDWLRSV-GJZGRUSLSA-N 333.436 0.279 0 50 ECAA CC[C@H](C)NC(=O)[C@@H](C)NC(=O)[C@@H]1COCCN1CC(F)(F)F 252507599 WPCGAGFCHPJEMM-AXFHLTTASA-N 339.358 0.669 0 50 ECAA COc1ccc(Cl)cc1N1CC[C@@H](NC(=O)Cn2cnnn2)C1 253392926 JIJGEWUBSIOHFB-LLVKDONJSA-N 336.783 0.730 0 50 ECAA C[C@@H]1C[C@H](C(=O)O)CN(C(=O)NC[C@H]2CCCCS2(=O)=O)C1 263348036 PBSXZEBORMBECR-GRYCIOLGSA-N 332.422 0.706 0 50 ECAA Cc1ccc(CN2CC[C@@H](NC(=O)[C@@H](O)c3cnc[nH]3)C2=O)cc1 867763546 BZKACNQUPVUCHW-HIFRSBDPSA-N 328.372 0.669 0 50 ECAA CO[C@@H]1C[C@H](CNC(=O)c2cccn2C)N(c2cc(N)ncn2)C1 952887987 XNFGNPMIRJMQDF-VXGBXAGGSA-N 330.392 0.421 0 50 ECAA COC(=O)[C@@H](Cn1cncn1)NC(=O)c1cc2nc(C)ccc2o1 952880577 OTQXPDBMEMFDLC-LLVKDONJSA-N 329.316 0.699 0 50 ECAA CNC(=O)[C@]12CCOC[C@H]1CN(C(=O)CCc1cc(OC)no1)C2 952849362 AXNGRWKZOCAMBW-BZNIZROVSA-N 337.376 0.227 0 50 ECAA CS(=O)(=O)N1CCC[C@@H](C(=O)N[C@H](C(=O)O)c2ccsc2)C1 1875267204 SEJVBHLKRNQEHK-KOLCDFICSA-N 346.430 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CC[C@@H](NC(C)=O)c1nc(CC(N)=O)nn1-c1ccc(C(=O)O)cc1 952861533 HUPZXADARJQVNW-GFCCVEGCSA-N 345.359 0.581 0 50 ECAA C[C@@H](CNC(=O)NC[C@@H](C)S(N)(=O)=O)COCc1ccccc1 408515745 XZOCJBXJOPLZNO-QWHCGFSZSA-N 343.449 0.816 0 50 ECAA Cn1cccc1C(=O)C(=O)N1C[C@@H]2CC[C@H]1CN(S(C)(=O)=O)C2 1565527014 SYTMKWFVDOYMJC-NEPJUHHUSA-N 339.417 0.090 0 50 ECAA O=C(N1CC[C@H](Nc2ncccn2)[C@@H](O)C1)C1(Cn2ccnc2)CC1 1565511797 SHVNMRAHFLJBBT-KBPBESRZSA-N 342.403 0.527 0 50 ECAA CCN(C)CC(=O)N[C@H]1CCOC[C@@H]1Oc1ccc(C(N)=O)cc1 1565525728 WHWBEHXUYIFWGQ-GJZGRUSLSA-N 335.404 0.390 0 50 ECAA CN(C)c1ccncc1CN[C@@H]1CCCN(c2nccn(C)c2=O)C1 275360401 AYXUHOQNEDONOT-OAHLLOKOSA-N 342.447 1.000 0 50 ECAA CNC(=O)C1(C(=O)N2CC[C@H](Oc3cccnc3N(C)C)C2)CC1 275596687 KMYZCUPLXBPPGZ-LBPRGKRZSA-N 332.404 0.654 0 50 ECAA CCn1cc([C@@H]2CN(S(=O)(=O)C[C@@H]3CCOC3)CCO2)cn1 189224097 FTFAOZRVFCFYIJ-OCCSQVGLSA-N 329.422 0.643 0 50 ECAA CN(C)C(=O)COc1cccc(CNc2cc(=O)n(C)c(=O)n2C)c1 647857873 PTMOUQODBHLEPO-UHFFFAOYSA-N 346.387 0.163 0 50 ECAA 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346.387 0.604 0 50 ECAA Nc1ncnc2c1ncn2CCC(=O)N1CCC[C@@]2(CCOC2)C1 616091769 FRADZRXTDKCSPY-MRXNPFEDSA-N 330.392 0.828 0 50 ECAA Cc1nnnn1CCC(=O)N1CCCC[C@@H]1CCN1CCCC1=O 91550640 HSICNWBXPQAWPG-CQSZACIVSA-N 334.424 0.765 0 50 ECAA CC(=O)N1CC2(CCN(Cc3nnc(C)n3C)CC2)C[C@@H]1C(=O)O 91877134 HMXMCOPVNDJDLA-CYBMUJFWSA-N 335.408 0.411 0 50 ECAA O=C(CC[C@H]1NC(=O)NC1=O)NCc1csc(-c2cnccn2)n1 91915353 YOYDMPGUPBKPMD-SECBINFHSA-N 346.372 0.205 0 50 ECAA CCN(CCO)C[C@@H]1CN(c2ncnc3onc(C)c23)C[C@@H]1CO 91574423 WEDFJSLTEFLGEH-CHWSQXEVSA-N 335.408 0.285 0 50 ECAA COc1ccc(C(=O)N2CCNC(=O)[C@H]2CCO)c(OC)c1OC 244718669 LOUJXTYHVLZXAW-LLVKDONJSA-N 338.360 0.035 0 50 ECAA COc1ncc(Br)cc1CNC(=O)[C@@H]1CN(C)CCO1 628795680 IRZOYKPPHMNHED-NSHDSACASA-N 344.209 0.800 0 50 ECAA CCc1cc(C(=O)N2CC[C@@H]3OCc4cnnn4[C@H]3C2)cc(O)n1 299784927 QSWHKIFLOLCDNO-KBPBESRZSA-N 329.360 0.927 0 50 ECAA Cc1noc([C@H]2CCN(C(=O)Cc3ccc(-n4cnnn4)cc3)C2)n1 299754874 AVTLCMRHALLCAZ-ZDUSSCGKSA-N 339.359 0.912 0 50 ECAA O=C(CN1CCOC1=O)N1CCC[C@H](c2nnc3ccccn23)C1 299773617 GKIBKTDKSFPVEA-LBPRGKRZSA-N 329.360 0.888 0 50 ECAA CO[C@@]12CC[C@H](O)C[C@@H]1N(Cc1cc(=O)n3nc(C)cc3[nH]1)CC2 390832244 PIYINAAWXSJQCF-GRDNDAEWSA-N 332.404 0.835 0 50 ECAA Nc1ncc(C(=O)N[C@H]2CCS(=O)(=O)C2)c(-c2ccccc2)n1 827587515 BHCQGPTZTIJRNJ-NSHDSACASA-N 332.385 0.643 0 50 ECAA C[C@@H](O)CN1CCN(C(=O)c2ccc(S(C)(=O)=O)cc2)CC1 186852140 CSZUNCCVOWLURU-GFCCVEGCSA-N 326.418 0.229 0 50 ECAA CN(C[C@]1(O)CCN(Cc2ccccc2)C1)C(=O)[C@H]1CCC(=O)N1 188139423 GHUUCKQIEBIVHQ-CRAIPNDOSA-N 331.416 0.360 0 50 ECAA CNC(=O)C[C@H]1CS(=O)(=O)CCN1C(=O)CC1=CCCCC1 644173737 LXEVMTLGVBBIIF-ZDUSSCGKSA-N 328.434 0.639 0 50 ECAA Cc1nnc2n1C[C@H](C(=O)N(C)Cc1cnc(C(C)C)nc1)N(C)C2 644455870 AQAZZYYSTXGZLQ-CQSZACIVSA-N 343.435 0.973 0 50 ECAA O=C(O)[C@H]1CC(=O)N(C2CCN(C(=O)NC[C@@H]3CCCO3)CC2)C1 649475416 AZQYRFXZWWEDBW-AAEUAGOBSA-N 339.392 0.273 0 50 ECAA CC(=O)N1CC[C@H](NC(=O)[C@H]2C[C@@H](O)CN2C(C)=O)c2ccccc21 684471581 VNLCRGZARNKYAE-UKPHBRMFSA-N 345.399 0.582 0 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C[C@]1(NC(=O)c2nc3ncc(Br)cn3n2)CCOC1 156623466 YOHCCDCMYPPSPM-NSHDSACASA-N 326.154 0.796 0 50 ECAA COC(=O)/C=C/CCNC(=O)c1ccnc(N2CCC[C@H]2CO)c1 1875313977 ARUDSAYFTXFHEC-XCVZWFEFSA-N 333.388 0.892 0 50 ECAA Cn1nccc1[C@@]12CC[C@@H](C1)[C@@H]2C(=O)NCCn1cccnc1=O 1875395772 LNVZGXSZPRPSNY-DXCKQFNASA-N 327.388 0.461 0 50 ECAA O=C(N[C@@H]1C[C@@H](O)C12CCOCC2)c1cnn(-c2ccncc2)c1 886995566 MWKIROPGDCXDAB-HUUCEWRRSA-N 328.372 0.927 0 50 ECAA Cn1cc(O[C@@H]2COC[C@@H]2NC(=O)c2cnc3c(c2)ncn3C)cn1 888093742 QKZBUXNTYXHKSY-UONOGXRCSA-N 342.359 0.278 0 50 ECAA CC(=O)N[C@@]12CCOC[C@@H]1CN(C(=O)CCCc1nc(C)no1)C2 2325849343 MNRCCVKCZZPVOE-XJKSGUPXSA-N 336.392 0.454 0 50 ECAA CC(=O)N[C@@]12CCOC[C@@H]1CN(C(=O)c1cnn3ccncc13)C2 2325849699 YCENCYBXDICSST-BLLLJJGKSA-N 329.360 0.097 0 50 ECAA COc1ccc(C(=O)NCCCCN)cc1N1CCC(=O)NC1=O 2325904011 BWWQBKBUVKTFJP-UHFFFAOYSA-N 334.376 0.610 0 50 ECAA COC(=O)c1nnn(-c2nonc2N)c1CSc1nccn1C 2025369 FYSOPNYRUHDTNB-UHFFFAOYSA-N 336.337 0.045 0 50 ECAA O=C(NC[C@H](O)c1cccc(O)n1)c1cc(=O)n(-c2ccccc2)[nH]1 2356141708 MLVAYMZRBLHCDW-AWEZNQCLSA-N 340.339 0.730 0 50 ECAA O=C(CN1CC(=O)N[C@@H]2CCCC[C@H]21)NC(=O)NCc1ccco1 246571702 LECUODRSYMMWPP-CHWSQXEVSA-N 334.376 0.348 0 50 ECAA C[C@@H]1CCCN(C(=O)c2ccc([C@]3(C)NC(=O)NC3=O)cc2)[C@H]1CN 246746110 HKBOAJSLYJBDRZ-VZSAFFHGSA-N 344.415 0.941 0 50 ECAA COCCN1CCC[C@](O)(CNCc2cn3ccsc3n2)C1=O 67561197 UOEULRVDZZQUAC-HNNXBMFYSA-N 338.433 0.485 0 50 ECAA CCN1CCC[C@H]1CNC(=O)c1cc(S(N)(=O)=O)ccc1OC 57008 BGRJTUBHPOOWDU-NSHDSACASA-N 341.433 0.557 0 50 ECAA biogenic,world CN1C[C@@]2(CCN(C(=O)c3ccc4c(=O)n(C)cnc4c3)C2)OC1=O 72161598 XQQKWBXVZBUQPU-QGZVFWFLSA-N 342.355 0.600 0 50 ECAA NC(=O)NCC(=O)N[C@H]1CCCN(c2ccc(C(F)(F)F)cn2)C1 72135526 PSPTURYPHTZCGC-JTQLQIEISA-N 345.325 0.854 0 50 ECAA Cc1cccc(CN2CCN(C(=O)c3cc(=O)[nH]c(O)n3)CC2)c1 72453846 MJKWKHSOXRTPHD-UHFFFAOYSA-N 328.372 0.742 0 50 ECAA C[C@@H](O)c1cn(CC(=O)N2CCCN(CC(F)(F)F)CC2)nn1 366262242 YYXHJRMLKGPUOM-SNVBAGLBSA-N 335.330 0.428 0 50 ECAA Cc1nc(-c2cccnc2)[nH]c(=O)c1CCC(=O)N1CCNC[C@@H]1C 126376780 IXHGHUWYTUFKME-LBPRGKRZSA-N 341.415 0.893 0 50 ECAA CO[C@@H]1COCC[C@@H]1CC(=O)N1CCC(c2nnc(O)o2)CC1 332392784 KLKMNESWPRMMIS-VXGBXAGGSA-N 325.365 0.923 0 50 ECAA Cc1ccccc1CN(C)C(=O)CN1CCC[C@@H](S(N)(=O)=O)C1 378431123 DUDUXVKMWMZLAK-OAHLLOKOSA-N 339.461 0.706 0 50 ECAA C[C@H]1CN(C(=O)Cn2cc(NC(=O)C3(C)COC3)cn2)C[C@H](C)O1 378620777 IEMRMXMRJPDTIX-RYUDHWBXSA-N 336.392 0.494 0 50 ECAA CN(C)[C@@H]1[C@@H](NC(=O)c2coc(CN3CCOCC3)c2)[C@H]2CCO[C@H]21 223850742 NUIOFJUCOFHLJT-YYIAUSFCSA-N 349.431 0.559 0 50 ECAA CN1CCCN(CC(=O)N[C@@H]2COCC[C@@H]2OCC2CC2)CC1 223648738 JEVCZNZREIIFJK-CVEARBPZSA-N 325.453 0.324 0 50 ECAA O=C(NCCc1nc2ccc(F)cc2[nH]1)c1c[nH]nc1-n1cnnn1 222790569 CBWFLIKJLJGYTL-UHFFFAOYSA-N 341.310 0.373 0 50 ECAA CN(C[C@@H]1OCCN(C)[C@H]1c1ccccc1)C(=O)c1ncn(C)n1 291012577 HUTUUXXXFDOYLP-GJZGRUSLSA-N 329.404 0.959 0 50 ECAA O=C(Cc1ccc(CO)cc1)N1CC[C@]2(CCCN(CCO)C2=O)C1 91817538 JOSZGMUTNNTWKR-LJQANCHMSA-N 346.427 0.555 0 50 ECAA CNC(=O)CN1CCN(C(=O)[C@@H](C)c2ccc3c(c2)OCO3)CC1 293199827 BOSRTGCLHXXINQ-LBPRGKRZSA-N 333.388 0.409 0 50 ECAA CC(C)c1nccn1[C@H](C)C(=O)N1CCN(C(=O)c2ncn[nH]2)CC1 95364111 IYCRDRMPVXTMPS-GFCCVEGCSA-N 345.407 0.670 0 50 ECAA O=C1OCCN1CC(=O)N1C[C@H]2CC[C@@H]1CN(c1cnccn1)C2 91391499 JQZLRVFHCREWLE-QWHCGFSZSA-N 331.376 0.356 0 50 ECAA NC(=O)c1ccc(NC(=O)CN2CCC(c3nnc[nH]3)CC2)cc1 244595029 DNFGYNUNWMFQCH-UHFFFAOYSA-N 328.376 0.722 0 50 ECAA COC(=O)c1cnc(O)c([C@@H](CC(N)=O)c2ccc(O)cc2)c1O 253623706 IDSCMZYOGIZZBI-JTQLQIEISA-N 332.312 0.992 0 50 ECAA biogenic COC(=O)c1cnc(O)c([C@H](CC(N)=O)c2ccc(O)cc2)c1O 253623707 IDSCMZYOGIZZBI-SNVBAGLBSA-N 332.312 0.992 0 50 ECAA biogenic O=C(O)[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)C1 299743496 NVDAQOYZDGDOHO-GHMZBOCLSA-N 346.339 0.701 0 50 ECAA CNC(=O)[C@H]1CN(C(=O)c2csc(-c3ccccn3)n2)CCO1 183528521 WMONNOZQWCJWPI-GFCCVEGCSA-N 332.385 0.792 0 50 ECAA COCC(=O)N1CC[C@@H](NC(=O)c2cccc(F)c2F)[C@H](O)C1 299781778 FBQKLBBVGZCMIK-VXGBXAGGSA-N 328.315 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COc1cc(C(=O)N2CCN(C3C[C@@H]4CC[C@H](C3)N4C)CC2)ncn1 935093092 XNBYZMGNPJZFSB-YIONKMFJSA-N 345.447 0.868 0 50 ECAA Cn1cc(S(=O)(=O)NCc2ccncc2O[C@H]2CCNC2)cn1 864283461 QZUGEQRZAJLBIO-LBPRGKRZSA-N 337.405 0.034 0 50 ECAA COc1cc(C(=O)NC[C@H]2C[C@@H](OC)CN2c2ccncn2)nn1C 952886488 AMQWFPCORNOTIG-VXGBXAGGSA-N 346.391 0.242 0 50 ECAA CC1(C)CO[C@H]1C(=O)N1CC(NC(=O)c2cc(O)nc(C3CC3)n2)C1 1875332892 PKHJVNBQEPIJMY-ZDUSSCGKSA-N 346.387 0.425 0 50 ECAA CO[C@@H]1CCN([C@H]2CCC[C@H]2N(C)C(=O)CN2CCOCC2)C1 886082474 DSTDVPFNQXUYSX-OAGGEKHMSA-N 325.453 0.419 0 50 ECAA CN1C(=O)CC[C@H](CNC(=O)Cn2cccn2)[C@H]1c1nccn1C 886085622 XMFDKYAUWNCWCY-DOMZBBRYSA-N 330.392 0.343 0 50 ECAA O=C(N[C@@H]1C[C@@H](O)C12CCOCC2)c1cnn(-c2ccccc2)n1 887026408 DOWHUXIBOSBPOQ-HUUCEWRRSA-N 328.372 0.927 0 50 ECAA CCCn1[nH]cc/c1=N\C(=O)CN1C[C@H](OC)C[C@@H]1c1ncc[nH]1 1775956861 DURVPCRWYYERPH-YQXKXBSMSA-N 332.408 0.839 0 50 ECAA C[C@H]1CN(c2ncnc3c2NC(=O)CN3C)CCN1c1ccncc1 2325780478 KHQCORZSJPSUSR-LBPRGKRZSA-N 339.403 0.975 0 50 ECAA Cn1c(=O)[nH]c(=O)c2c1nc1n2C[C@H](COc2ccc(Cl)cc2)O1 367905 YUKBQZBKWAMWGK-SNVBAGLBSA-N 348.746 0.917 0 50 ECAA Cc1cc(Nc2ncc(F)c(N3CCOCC3)n2)n(CC(=O)O)n1 2356145461 NQGCJPSZCBWBKY-UHFFFAOYSA-N 336.327 0.785 0 50 ECAA COc1ccc(S(=O)(=O)NCCCN2CCN(C)CC2)cc1 20727532 BZSSTFOHWMTSBR-UHFFFAOYSA-N 327.450 0.611 0 50 ECAA C[C@@H](C(=O)N(C)C)S(=O)(=O)N1CCC[C@H]1CN1CCCCC1 248883067 LFUWDHYUCCEENY-KBPBESRZSA-N 331.482 0.743 0 50 ECAA O=C(NCc1ncn[nH]1)[C@@]12CNC[C@@H]1CN(Cc1ccccc1)C2 65454954 ZLWLKIJCEASIGZ-RHSMWYFYSA-N 326.404 0.143 0 50 ECAA CC(C)Cc1cc(C(=O)NC2CCN(S(C)(=O)=O)CC2)n(C)n1 65428822 MPGCVJJEXITLCN-UHFFFAOYSA-N 342.465 0.772 0 50 ECAA Cc1n[nH]c([C@H]2CN([C@@H](C)C(=O)Nc3c(C)nn(C)c3C)CCO2)n1 229284609 JSFNFHOMUSCZOX-WCQYABFASA-N 347.423 0.864 0 50 ECAA CN1CC[C@H](CNS(=O)(=O)c2ccc3nc(O)oc3c2)CC1=O 425185191 QKSLQCRQKTVJHM-VIFPVBQESA-N 339.373 0.680 0 50 ECAA Cc1ncc(C(=O)N2CC[C@@H]3[C@@H](CCC(=O)N3CCCO)C2)c(C)n1 72432371 GHWSABNSAFTLMV-GOEBONIOSA-N 346.431 0.929 0 50 ECAA COCc1ncc(CN2CCN(CC(=O)N3CCCCC3)CC2)cn1 72142103 QSYUXUUJBNNZSD-UHFFFAOYSA-N 347.463 0.753 0 50 ECAA O[C@]1(CN2CCN(C/C=C/c3ccccc3)CC2)CNCCOC1 77323360 DXDYHQMSOGSIFI-QTWIXLPOSA-N 331.460 0.668 0 50 ECAA O=C(Cn1cnnn1)NC[C@@]1(Cc2ccc(F)cc2)CCC[C@H]1O 253428675 BALRZXMBEWBKSI-ZBFHGGJFSA-N 333.367 0.702 0 50 ECAA CNC(=O)[C@H]1CCN(c2ncnc3c2CCN(C(=O)C2CC2)C3)C1 71422311 LWDHKHVMOJIONC-LBPRGKRZSA-N 329.404 0.344 0 50 ECAA Cn1ncc2c(NCCc3n[nH]c(=O)[nH]3)nc(-c3ccncc3)nc21 72473024 WITUCVYDQIQKNX-UHFFFAOYSA-N 337.347 0.491 0 50 ECAA CCN1Cc2nc(OC)c(CNC(=O)CN3CCOC3=O)cc2C1=O 71747757 GPWCSZIDFSLQAJ-UHFFFAOYSA-N 348.359 0.134 0 50 ECAA CCN(CC)C(=O)NCC[C@@H]1CN(c2cnn(C)c(=O)c2)CCO1 77321021 FSVYDIGTUCHCSJ-CQSZACIVSA-N 337.424 0.427 0 50 ECAA COc1ccc(CN2CCN[C@H](C(=O)O)C2)cc1Cn1cncn1 71404237 UCUMUXJXBQSACC-AWEZNQCLSA-N 331.376 0.193 0 50 ECAA CC(=O)N1CCc2ccc(S(=O)(=O)NCC[C@@H](C)O)cc2C1 77301209 WKDUBCPLFYLUFL-LLVKDONJSA-N 326.418 0.640 0 50 ECAA C[C@@]1(C2CCN(S(=O)(=O)c3ccco3)CC2)NC(=O)NC1=O 375344833 IWYILFHASOWFQI-ZDUSSCGKSA-N 327.362 0.278 0 50 ECAA CC[C@@H]1CN(C(=O)[C@@]2(COC)CCNC2)C[C@@H]1N1CCOCC1 333815603 KAYCGRUBKRJGKA-VYDXJSESSA-N 325.453 0.182 0 50 ECAA CNC(=O)[C@H]1CN(C(=O)c2c[nH]c3c(C)cccc3c2=O)CCO1 373587239 WJMWIXGDCTTYTB-CYBMUJFWSA-N 329.356 0.424 0 50 ECAA Cc1cc(=O)n(CC(=O)NC[C@@H]2CC(=O)N(C3CCCC3)C2)nc1C 222563178 XCEWZMNNRDVTCF-AWEZNQCLSA-N 346.431 0.767 0 50 ECAA Cc1nn(C)c(C)c1OCC(=O)N1CCC[C@@](O)(Cn2ccnn2)C1 284679603 QZSYFJAZBDFXDK-INIZCTEOSA-N 348.407 0.061 0 50 ECAA CS(=O)(=O)NC1CCN(C(=O)[C@H]2CCc3ccccc3O2)CC1 222655060 UQZFHMVMBPPQRN-OAHLLOKOSA-N 338.429 0.920 0 50 ECAA Cn1cccc1-c1cc(C(=O)NCCN2CCC[C@H](C(N)=O)C2)n[nH]1 91626238 GDZBMEVYIQLOGT-LBPRGKRZSA-N 344.419 0.342 0 50 ECAA O=C(CC[C@@H]1NC(=O)NC1=O)NCc1cnn(-c2cccc(F)c2)c1 91871517 QSYDBOKMZISULQ-ZDUSSCGKSA-N 345.334 0.616 0 50 ECAA CN(C(=O)Cn1ncc2ccccc2c1=O)C1CCS(=O)(=O)CC1 91624603 JVIFNQRXWOHHBM-UHFFFAOYSA-N 349.412 0.432 0 50 ECAA CC(C)(C)OC(=O)NCCOCCOCCOCCOCCO 96503408 PBWLVPPLXJCLBC-UHFFFAOYSA-N 337.413 0.570 0 50 ECAA in-vitro C[C@@H](NC(=O)c1coc(COc2ccc3c(c2)OCO3)n1)C(N)=O 91624736 WHOQAJJNOAWXOH-MRVPVSSYSA-N 333.300 0.586 0 50 ECAA O=C(CCn1cc(Cl)cn1)N1CCN(CCn2cncn2)CC1 92061902 LJTMTJQJOHVYPL-UHFFFAOYSA-N 337.815 0.363 0 50 ECAA COc1ccc([C@H](NC(=O)CCn2nnnc2C)[C@H]2C[C@H](O)C2)cn1 244734333 NDOYYFXGJXWYIV-XEZPLFJOSA-N 346.391 0.404 0 50 ECAA O=C(C[C@H]1NC(=O)c2ccccc2NC1=O)NCCc1cnc[nH]1 604405548 PXTVFJNVYWRQGZ-CYBMUJFWSA-N 327.344 0.209 0 50 ECAA biogenic CO[C@@H]1CN(CC(=O)N(C)Cc2ccccc2)C[C@H]1c1cnn[nH]1 621318013 KHAMETYDMCYKSK-GOEBONIOSA-N 329.404 0.878 0 50 ECAA CCn1nc(CO)c2c1CCN(CCn1c(O)nc(C)cc1=O)C2 253536467 RXKNABACZAUCPF-UHFFFAOYSA-N 333.392 0.024 0 50 ECAA Cc1cccc2nc(COCC(=O)N3C[C@@H]4NCCO[C@H]4C3)[nH]c12 534646018 VNEVZDJOMQVPBJ-KBPBESRZSA-N 330.388 0.587 0 50 ECAA Cc1nnc(CN2C[C@H]3COCC[C@@]3(O)[C@@H]3COCC[C@@H]32)s1 299773720 FIJREPUFKHXPEN-XFMPKHEZSA-N 325.434 0.835 0 50 ECAA Cc1ccc(CN2CCC(CNC(=O)CCn3cnnn3)CC2)o1 584890225 ZQEYQOWYHMCFSZ-UHFFFAOYSA-N 332.408 0.993 0 50 ECAA Nc1ncnc2c1ccn2[C@@H]1O[C@H]([C@H](O)c2ccccc2)[C@@H](O)[C@H]1O 585670007 WWOOWAHTEXIWBO-QFRSUPTLSA-N 342.355 0.366 0 50 ECAA in-vitro Nc1nc(CCCNS(=O)(=O)N2CCC[C@@H](C(=O)O)C2)cs1 670448453 VZMGUTJOJBIYFF-SECBINFHSA-N 348.450 0.289 0 50 ECAA CCSCCC(=O)N[C@H]1CCN(C(=O)c2ccccn2)C[C@@H]1O 1565510086 TXYYYKLNSRVIIN-JSGCOSHPSA-N 337.445 0.916 0 50 ECAA COc1cc(/C=C/C(=O)N2CCN[C@@H](C)C2)ccc1OCC(N)=O 269178307 CLAILZLQGSKLFS-FUEXJSSKSA-N 333.388 0.393 0 50 ECAA Cn1c([C@H]2CCCN2CCN2C(=O)CNC2=O)nc2c1CCCC2 276113293 XDVTZJYGHHKTFN-CQSZACIVSA-N 331.420 0.988 0 50 ECAA CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1C(=O)N1CCS(=O)(=O)CC1 170635367 XJKFEBMHKDJPEL-NWDGAFQWSA-N 346.449 0.937 0 50 ECAA Cc1cc(O)cc(=O)n1CC(=O)N[C@H]1CCO[C@@H]1c1cnn(C)c1 190025822 CPRHKUSWSINDQB-XJKSGUPXSA-N 332.360 0.242 0 50 ECAA COC[C@]1(C(=O)N2CCCN(Cc3cnn(C)c3)CC2)CCNC1 645939555 INDSWDCOBMDORG-KRWDZBQOSA-N 335.452 0.081 0 50 ECAA NS(=O)(=O)c1ccccc1N1CCN(c2ncc(F)cn2)CC1 682396280 SJGHRGQOVQPHCT-UHFFFAOYSA-N 337.380 0.590 0 50 ECAA CCC[C@H](C(=O)O)n1ccc(NC(=O)[C@@H]2CCS(=O)(=O)C2)n1 659184378 CUGFODUUNXJAPA-NXEZZACHSA-N 329.378 0.682 0 50 ECAA O=C(CCn1cnc2ccccc2c1=O)N(CCO)Cc1ncc[nH]1 1704311492 LVNDRHFKCSPDEI-UHFFFAOYSA-N 341.371 0.531 0 50 ECAA COc1cc(C(=O)N2CC[C@@]3(CNC(=O)CO3)C2)c2ccccc2n1 1772814136 LKHFJWURCTZPDB-GOSISDBHSA-N 341.367 0.975 0 50 ECAA COC(=O)C1=CN(CC(=O)Nc2ccccc2)S(=O)(=O)N=C1C 169771861 IVYIOZHPHKUGBF-UHFFFAOYSA-N 337.357 0.703 0 50 ECAA COCc1noc(CNC(=O)[C@@H]2CC(=O)N(c3nccs3)C2)n1 1857736419 NXXAAYAJKASFKA-MRVPVSSYSA-N 337.361 0.342 0 50 ECAA O=C1N[C@@H]2COC[C@H]1CN(C(=O)Cn1ccnc1-c1ccccc1)C2 1857722044 CTVGMQNHZRJAFZ-CABCVRRESA-N 340.383 0.524 0 50 ECAA CC[C@@H](C)[C@H](CO)NC(=O)COc1ccc(-c2nnn(C)n2)cc1 606440309 BEJNUVXZEWZUHK-RISCZKNCSA-N 333.392 0.779 0 50 ECAA C[C@H](NC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)N1CCCC[C@@H]1C 229577685 PLZCVZOWWYMCLU-SRVKXCTJSA-N 331.438 0.262 0 50 ECAA CN(C)c1nccc(N2CCN(Cc3nc(N(C)C)no3)CC2)n1 330032677 QMLRFYVNOJNTCN-UHFFFAOYSA-N 332.412 0.314 0 50 ECAA CN1CCN(C(=O)CCc2nc(-c3ncccn3)no2)C(C)(C)C1=O 154185889 QDMOLLLLBQDIBC-UHFFFAOYSA-N 344.375 0.538 0 50 ECAA COc1ccc(C(=O)N2C[C@H]3COC[C@@H]2CN(CC(=O)O)C3)cc1C 1704330351 IANYHLPRDVAHFZ-ZFWWWQNUSA-N 348.399 0.861 0 50 ECAA N[C@@H]1C[C@H](O)[C@@H](N2CCC(c3cc(C4CCNCC4)[nH]n3)CC2)C1 923396447 CJVRIEVLYVYGTQ-WBAXXEDZSA-N 333.480 0.907 0 50 ECAA CN(C1CCOCC1)S(=O)(=O)NCc1ccc(C(=O)O)s1 830201331 AAAIXHKMRKZTIY-UHFFFAOYSA-N 334.419 0.892 0 50 ECAA CC(C)CNC(=O)c1cccc2c1CN([C@@H]1CCC(=O)NC1=O)C2=O 1875288798 DLBGTEVPIKCKAF-CQSZACIVSA-N 343.383 0.833 0 50 ECAA CO[C@@H]1CN(c2ccnc(N(C)CCn3ccnc3)n2)C[C@@H]1N(C)C 1875398549 VMDWRXOPJJXZBO-LSDHHAIUSA-N 345.451 0.575 0 50 ECAA NC(=O)[C@]1(N2CCN(Cc3c(F)cccc3F)CC2)CCOC1 886074611 GPGCDFOBOHHYIW-INIZCTEOSA-N 325.359 0.727 0 50 ECAA N[C@H]1C[C@@H](O)CN(C(=O)C2CCN(c3nc4ccccc4o3)CC2)C1 2325788272 WEPHKWOLWXBWSN-UONOGXRCSA-N 344.415 0.965 0 50 ECAA Cn1c2c(c(=O)[nH]c1=O)C(C(F)(F)F)(C(F)(F)F)NC(=O)N2 1126462 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345.447 0.805 0 50 ECAA CCCn1nnnc1CN(C)C[C@@H]1C[C@H](F)CN1c1ccncn1 328648815 USZPEOXZNAYKGA-STQMWFEESA-N 334.403 0.922 0 50 ECAA Cc1noc(C)c1S(=O)(=O)N[C@@H](c1cnn(C)c1)C1CC(O)C1 219130611 ZYWWJIGMBZFYKM-KGPNIALWSA-N 340.405 0.815 0 50 ECAA CN(Cc1ccc(CN2CCOC[C@@H]2CC(=O)O)o1)S(C)(=O)=O 72147463 QFWIDATYEISULB-NSHDSACASA-N 346.405 0.347 0 50 ECAA Cc1nn(CC(=O)N2CCOC[C@@H]2CC(=O)O)c(=O)c2ccccc12 72163743 WEFIYEOTMHOGND-LBPRGKRZSA-N 345.355 0.407 0 50 ECAA CS(=O)(=O)C[C@@H](O)c1cc2n(n1)CCN(CC1CCCC1)C2 221448852 GHPGVNLGGIKNCD-OAHLLOKOSA-N 327.450 0.967 0 50 ECAA O=C(NCCCn1ccnc1)[C@H]1CC(=O)N(Cc2cccnc2)C1 91459972 ADUKBONCEKTEPK-HNNXBMFYSA-N 327.388 0.833 0 50 ECAA COCCn1ccnc1[C@H]1CCCN(C(=O)CN2CCOC2=O)C1 95526725 JBKUTOZYCMEEQN-ZDUSSCGKSA-N 336.392 0.688 0 50 ECAA O=C(CN1C(=O)CNC1=O)NC[C@@H](c1ccccc1F)N1CCCC1 95378543 JPHMEYRXSWWHJK-AWEZNQCLSA-N 348.378 0.631 0 50 ECAA COc1cccc([C@@H]2CN(C(=O)Cn3nnnc3C)C[C@H]2C(=O)O)c1 91644976 FGOSRVFAKJJNEY-UONOGXRCSA-N 345.359 0.317 0 50 ECAA 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WLXRZICBOFDLPJ-LKKUUOETSA-N 342.971 0.097 0 50 ECAA Cn1nccc1C(=O)N1C[C@@H]2CN(C3CCCC3)C[C@]2(C(=O)O)C1 65426633 UIMVMRVZIPICPZ-SJCJKPOMSA-N 332.404 0.821 0 50 ECAA COc1ccccc1S(=O)(=O)NCC1(C(=O)O)CCOCC1 317169434 OHBGZDJQWATQHY-UHFFFAOYSA-N 329.374 0.855 0 50 ECAA CNc1cc(C(=O)N2CC[C@@H]3[C@@H](CCC(=O)N3CCCO)C2)ccn1 72473500 JSTFFHWQPCQNLK-LSDHHAIUSA-N 346.431 0.959 0 50 ECAA CN(C)S(=O)(=O)c1cccc(NS(=O)(=O)c2ccco2)c1N 253416180 NFVFETYTILIWSV-UHFFFAOYSA-N 345.402 0.913 0 50 ECAA NC(=O)C1CCN(C(=O)[C@@H]2CC(=O)N(Cc3ccc(F)cc3)C2)CC1 32103430 GBQWFNXJYUATMO-CQSZACIVSA-N 347.390 0.898 0 50 ECAA CC(=O)c1[nH]c(C)c(C(=O)N2CCO[C@]3(CNCCOC3)C2)c1C 72134581 UOGTUSMEWMRMDC-QGZVFWFLSA-N 335.404 0.665 0 50 ECAA CN1CC2(CCN(C(=O)CCc3cc(O)no3)CC2)C[C@@H]1C(=O)O 72152035 LSLLJALIXBNZJU-GFCCVEGCSA-N 337.376 0.710 0 50 ECAA CN(C)c1ncnc2c1ncn2CC(=O)N1CCOC[C@H]1C1CC1 367241128 PIDYVKXDXJYURP-LBPRGKRZSA-N 330.392 0.530 0 50 ECAA O=C(NCc1ccncn1)c1cccc(S(=O)(=O)N2CCC2)c1 215519622 NLNALLYHBOEWAY-UHFFFAOYSA-N 332.385 0.801 0 50 ECAA CN(C(=O)N[C@@H](Cc1ccccc1)C(=O)O)[C@@H]1CCS(=O)(=O)C1 261638437 CXHKKLNMCHVSEM-OLZOCXBDSA-N 340.401 0.511 0 50 ECAA Cn1ccc(N2CC[C@@H](NC(=O)C(F)(F)C3(O)CCC3)C2=O)n1 371228805 YQMRKKVIPWTELO-SECBINFHSA-N 328.319 0.192 0 50 ECAA Cc1ccnc2nc(C(=O)NC3CCN(c4nccn4C)CC3)nn12 373034402 IPWCTYNJOYFUHV-UHFFFAOYSA-N 340.391 0.565 0 50 ECAA O=C(N[C@@H]1COCC[C@@H]1OCc1cscn1)c1cc(O)no1 219116404 SZUOAHVGFOZXHB-ZJUUUORDSA-N 325.346 0.941 0 50 ECAA O=C([C@H]1[C@H]2CC[C@@H](O2)[C@@H]1C(F)(F)F)N1CCn2c(O)nnc2C1 333041249 ALAHECJJMFVJSR-XFFJFQIUSA-N 332.282 0.682 0 50 ECAA C[C@H]1CO[C@H](C)CN1S(=O)(=O)N1CCC(NCC2CC2)CC1 237428699 YZRGJSKWSYJKPA-QWHCGFSZSA-N 331.482 0.804 0 50 ECAA Cc1nnnn1[C@H](Cc1ccccc1)C(=O)N1CC[C@H](C(=O)O)C1 237575968 IXODOURCFSVOBE-UONOGXRCSA-N 329.360 0.698 0 50 ECAA O=C1CC[C@H]2CN(C(CO)CO)CC[C@H]2N1CCc1ccccc1 72456873 PXDRXWGHIGVPCA-FUHWJXTLSA-N 332.444 0.895 0 50 ECAA CC[C@H](O)CN1CCN(CCc2nc3ccccc3c(=O)[nH]2)CC1 173457406 KXEXCANSUPUZHO-AWEZNQCLSA-N 330.432 0.854 0 50 ECAA O=C(c1ccccc1-c1nc[nH]n1)N1C[C@H]2C[C@H](O)[C@@H](O)C[C@H]2C1 71523590 LJIBSULIJTVQJX-JLUCKKNBSA-N 328.372 0.676 0 50 ECAA COc1ncc(Cl)c(N2C[C@H](c3cnn(C)c3)[C@@H](C(N)=O)C2)n1 284501582 CJEBLRSZHXANAZ-ZJUUUORDSA-N 336.783 0.577 0 50 ECAA Cc1ccncc1N1CCN(C[C@H](O)CN2C[C@H](C)O[C@H](C)C2)CC1 340106707 SRUBNHOJGGIETJ-KSZLIROESA-N 348.491 0.982 0 50 ECAA Cc1[nH][nH]c(=O)c1CC(=O)N[C@@H](Cc1ccccn1)[C@H]1C[C@@H](O)C1 223898887 CACLPGNBVYHTCU-WHOFXGATSA-N 330.388 0.447 0 50 ECAA COCC(=O)N1CCN(C)C[C@@H]1C(=O)NC1Cc2ccccc2C1 221284856 NSIMFHILYUSTPN-MRXNPFEDSA-N 331.416 0.059 0 50 ECAA CS(=O)(=O)NCCN1CCN(c2ccnc3ccccc23)CC1 289305082 IQYNYGNJKOCBHQ-UHFFFAOYSA-N 334.445 0.906 0 50 ECAA CS(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccccc2C(N)=O)C1 44390410 YXZZVKPRLXEQMV-SNVBAGLBSA-N 325.390 0.396 0 50 ECAA NS(=O)(=O)C[C@@H]1CCN(C(=O)c2ccc(-c3ncc[nH]3)s2)C1 426716268 YSHNCAZWOHBCSR-SECBINFHSA-N 340.430 0.889 0 50 ECAA O=C(Cn1nnnc1CN1CCc2ccccc2C1)N[C@H]1CCOC1 20908594 AYOMJIUFYSOQHC-HNNXBMFYSA-N 342.403 0.137 0 50 ECAA NC(=O)NCC(=O)N1CCC[C@@H](c2nccn2Cc2ccccn2)C1 91724710 ZJQUVULSKRNTFH-CYBMUJFWSA-N 342.403 0.701 0 50 ECAA CC(=O)N1CCN(c2nc3c(c(=O)[nH]2)Cc2ccccc2OC3)CC1 95511688 BSQBQLNDBAAVBS-UHFFFAOYSA-N 340.383 0.922 0 50 ECAA OCCN=c1[nH]c([C@H]2CCOC2)cc(=NCCc2cccs2)[nH]1 426589711 CXAVXYLQYIHNSZ-LBPRGKRZSA-N 334.445 0.945 0 50 ECAA O=C(N1CCOCC1)N1CCN(Cc2cncn2C2CC2)C[C@H](O)C1 97360281 CUORNYGSLDYUEU-INIZCTEOSA-N 349.435 0.149 0 50 ECAA C[C@@H]1CN(C(=O)c2cc(=O)[nH]c(O)n2)CC[C@@]1(O)C1CCOCC1 91665541 JQKDRZTUGXVROI-HWPZZCPQSA-N 337.376 0.115 0 50 ECAA COCC[C@]1(O)CCN(C(=O)Cc2c(C)nc(N)nc2C)C[C@H]1C 91351088 LEFSEAWOCHDMCD-PIGZYNQJSA-N 336.436 0.854 0 50 ECAA CN(C)CCN(C)C[C@@H]1CN(C(=O)Cc2cccc(O)c2)C[C@@H]1CO 91427013 ANZNPWTWRGTRAQ-IAGOWNOFSA-N 349.475 0.495 0 50 ECAA O=C(O)[C@@]12C(=O)[C@H]3[C@H]4[C@@H]5CC[C@H](O)[C@@H]5[C@H]1[C@H]4[C@H]1[C@H]3[C@@H]3[C@H](O)CC[C@@H]3[C@@H]12 247422445 RRFFGLHPXLMXOV-BIEVXUETSA-N 344.407 0.782 0 50 ECAA CS(=O)(=O)N1CCCC[C@@H]1C(=O)NCc1ccc(C(=O)O)o1 299744683 UENJJXQGZGLUOY-SNVBAGLBSA-N 330.362 0.408 0 50 ECAA Cc1cc(=O)n(CCN2CCN(CC3CC3)[C@@H](CCO)C2)c(O)n1 253536438 FVHRKDPZZFNXET-HNNXBMFYSA-N 336.436 0.036 0 50 ECAA CN(C)[C@@H]1C[C@H]2C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N2C1 828321124 CWLKOFWOZLVOAK-KCXAZCMYSA-N 326.400 0.740 0 50 ECAA CN1CCN(S(=O)(=O)N2CCC[C@@H](CN3CCCC3)C2)CC1 823791257 NTHRDINUPYCZFV-HNNXBMFYSA-N 330.498 0.286 0 50 ECAA O=C(CCc1nc(-c2ccco2)no1)N1CCS(=O)(=O)CC1 827968377 HBHZQEJQGDLFFG-UHFFFAOYSA-N 325.346 0.519 0 50 ECAA O=C(c1cnccn1)N1CCC(NCCSc2nc[nH]n2)CC1 952973316 ZCPMHYYQDMLOGF-UHFFFAOYSA-N 333.421 0.581 0 50 ECAA CNC(=O)CN1CCCN(S(=O)(=O)c2cc(C)cc(F)c2)CC1 1464584775 HLCKPFJWFKJCQQ-UHFFFAOYSA-N 343.424 0.577 0 50 ECAA CCC1(CC)CNC(=O)[C@H]1NC(=O)CNC(=O)c1cccc(F)c1 886716772 IJUKRPKRJDVLGG-CQSZACIVSA-N 335.379 0.977 0 50 ECAA CC(=O)NC[C@H]1CN(Cc2ccc3c(c2)CCC(=O)N3C)CCO1 186995301 HZBFVINGGXIRHP-INIZCTEOSA-N 331.416 0.933 0 50 ECAA O=C(c1scc2c1OCCO2)N1C[C@H](Cc2cnccn2)[C@@H](O)C1 1615954879 GXJWWVCHHZGDBM-JQWIXIFHSA-N 347.396 0.985 0 50 ECAA CN1CCC(n2nccc2NC(=O)C[C@@H]2C(=O)N(C)C(=O)N2C)CC1 1529168649 JUXBCKUOVBCPHA-GFCCVEGCSA-N 348.407 0.371 0 50 ECAA CC(C)n1cc(C(=O)N2CC[C@H]3[C@H](CCC(=O)N3CCN)C2)cn1 215394506 UBIYAZKIMLKIPC-HIFRSBDPSA-N 333.436 0.876 0 50 ECAA COCC1(C(=O)N2CCCN(CCn3cnnc3C)CC2)CCC1 1772819322 IXWZXAOSCHCFFB-UHFFFAOYSA-N 335.452 0.938 0 50 ECAA CN1CC[C@@H]2CN(CC(=O)NCCc3ccc(F)cc3)C[C@@H]2C1=O 1772812834 RKJKMBMIWMOLKB-ZBFHGGJFSA-N 333.407 0.895 0 50 ECAA O=c1[nH]cc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)c(=O)[nH]1 5375880 ZXRREIDNACENDI-UHFFFAOYSA-N 349.412 0.707 0 50 ECAA CCc1ccc(CNC(=O)CN2C(=O)NC3(CCOCC3)C2=O)cc1 169773484 AMLQXPCZQSBUFF-UHFFFAOYSA-N 345.399 0.966 0 50 ECAA CC[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H]1COCCN1CC(F)(F)F 252507601 WPCGAGFCHPJEMM-GARJFASQSA-N 339.358 0.669 0 50 ECAA CNS(=O)(=O)[C@@H]1CCCN(C(=O)Cc2n[nH]c3ccccc23)C1 361107562 QFBJIUKHRDPTCB-LLVKDONJSA-N 336.417 0.646 0 50 ECAA O=C(O)c1cc(S(=O)(=O)NCCCn2cncn2)ccc1O 394246671 XEOIRYDORSADSS-UHFFFAOYSA-N 326.334 0.051 0 50 ECAA Cc1cc(F)c(S(=O)(=O)NCc2nc(N(C)C)n[nH]2)c(F)c1 907375395 MYJIOMSRBBEOCE-UHFFFAOYSA-N 331.348 0.936 0 50 ECAA Cc1nn(C)cc1CC(=O)N[C@H]1CCOC[C@H]1Nc1ccncn1 952888134 CXXCYTHMVOQUPJ-UONOGXRCSA-N 330.392 0.447 0 50 ECAA Cn1nccc1[C@@H](O)CNC(=O)c1ccc(N2CCOCC2)cc1 886256692 LTXRHAKCCFJVAQ-INIZCTEOSA-N 330.388 0.720 0 50 ECAA O=C(C1CS(=O)(=O)C1)N1CC[C@H](c2nccc(C(F)(F)F)n2)C1 887891212 AXRIVIIUHHXFAD-QMMMGPOBSA-N 349.334 0.856 0 50 ECAA Cn1nnc(NC(=O)CSc2nnnn2-c2ccc(F)cc2)n1 1051451 CWHUBEIBQBKJMS-UHFFFAOYSA-N 335.328 0.056 0 50 ECAA O=C(OCCNC1=NS(=O)(=O)c2ccccc21)c1cccnc1 2488124 KLPWQSDNGJYNTH-UHFFFAOYSA-N 331.353 0.977 0 50 ECAA O=C([C@H]1CCCO1)N1CCN(C(=S)NC[C@@H]2CCCO2)CC1 2770995 WVWPFEUHTVRZPM-QWHCGFSZSA-N 327.450 0.363 0 50 ECAA Cc1c(CN2C[C@@H](COCC(=O)N(C)C)OC(C)(C)C2)cnn1C 343342665 NVWKDAXIGJOWCZ-HNNXBMFYSA-N 338.452 0.813 0 50 ECAA O=C(c1ccc(NCCO)nc1)N1CCCN(c2ncccn2)CC1 67920117 LJIPZROTVVLDEI-UHFFFAOYSA-N 342.403 0.628 0 50 ECAA Cc1ccc(C(=O)N2CCN(Cc3ccco3)[C@@H](CCO)C2)c(=O)[nH]1 55327506 HDNHPAOJVWXCRY-AWEZNQCLSA-N 345.399 0.985 0 50 ECAA CCc1nc(C)ccc1OCC(=O)N1CCn2c(C(N)=O)cnc2C1 67604728 YYTMCZQLTLPPOA-UHFFFAOYSA-N 343.387 0.669 0 50 ECAA COCCc1nc(CNC(=O)CCn2c(=O)[nH]c3ccccc32)no1 216225802 QQBGTGSDPXFZMQ-UHFFFAOYSA-N 345.359 0.608 0 50 ECAA CC(=O)N[C@@H]1CN(C(=O)CCc2c(C)nc(=O)[nH]c2C)C[C@H]1C(C)C 77521304 PMCZYEYUKQFYMC-JKSUJKDBSA-N 348.447 0.938 0 50 ECAA CC(C)[C@@H](C(=O)Nc1ccc(C2CC2)nn1)N1CCCS1(=O)=O 328975664 BLLGZAJYTLVUJE-AWEZNQCLSA-N 338.433 1.353 0 50 ECAA CC1(C)C(=O)NCCN1C(=O)[C@H]1CCC(=O)N(Cc2ccccn2)C1 12448423 MAWICBTVNURNMI-ZDUSSCGKSA-N 344.415 0.557 0 50 ECAA O=S(=O)(c1cncc(F)c1)N1CCC[C@H](Cn2cncn2)C1 331749381 YTTLGOLPKDBKIK-LLVKDONJSA-N 325.369 0.913 0 50 ECAA CN1C[C@@]2(CCN(C(=O)c3ccc4[nH]c(CO)nc4c3)C2)OC1=O 72146874 STFONFYTQBQJKI-MRXNPFEDSA-N 330.344 0.722 0 50 ECAA NS(=O)(=O)[C@@H]1CCCN(C(=O)[C@H]2CC(=O)Nc3ccccc32)C1 370941734 KGSRCCQBKFIFOD-PWSUYJOCSA-N 337.401 0.392 0 50 ECAA COc1cccc(-n2cc(CN(C)C(=O)[C@H]3CN(C)C(=O)N3)cn2)c1 72428291 UVLOHQZAMGHITI-OAHLLOKOSA-N 343.387 0.863 0 50 ECAA CC(C)n1cc([C@]2(O)CCCN(Cc3nc(N(C)C)no3)C2)nn1 284693811 SBSSRHGIAYWUHI-HNNXBMFYSA-N 335.412 0.792 0 50 ECAA Cc1c([C@@H]2[C@@H](C(=O)NCc3cncn3C)CC(=O)N2C)cnn1C 378041305 KGTTYOJULASTCZ-WFASDCNBSA-N 330.392 0.298 0 50 ECAA CC1(C)NC(=O)CC[C@H]1NS(=O)(=O)c1cn2c(n1)CCCC2 374716138 GJMDPMZSLFWUSN-SNVBAGLBSA-N 326.422 0.555 0 50 ECAA O=C(COc1ccccc1F)N1CCC[C@](O)(Cn2ccnn2)C1 284745721 XAZAJRYLYMHPMA-MRXNPFEDSA-N 334.351 0.850 0 50 ECAA CN1CCO[C@@H]2CCN(C(=O)c3cnn(C)c3-n3cccc3)C[C@@H]21 284568726 FRBOUJIECAGGPQ-LSDHHAIUSA-N 329.404 0.756 0 50 ECAA C[C@@H]1CN(CC(=O)NCCOc2ccc(Cl)cc2)C[C@H]1C(N)=O 286309324 VCXFUNYADKWSQA-BXUZGUMPSA-N 339.823 0.888 0 50 ECAA O=C1C[C@@]2(CCN(Cc3cccc(N4CCOCC4)c3)C2)C(=O)N1 82161477 BLHPYFZDEBCMQX-GOSISDBHSA-N 329.400 0.762 0 50 ECAA Cc1nc(CN=c2cc([C@H]3CCOC3)[nH]c(=NCCO)[nH]2)sc1C 426571842 VOPJVXSWSREAIE-LBPRGKRZSA-N 349.460 0.914 0 50 ECAA CN(C)CCN(Cc1ccsc1)C(=O)NCCS(C)(=O)=O 426683992 WWYRBKHEPHJBGE-UHFFFAOYSA-N 333.479 0.866 0 50 ECAA Cn1nnnc1SCCNC(=O)N1CCC[C@H](c2ncc[nH]2)C1 426690776 XYIQXSVBGRZRCZ-JTQLQIEISA-N 336.425 0.615 0 50 ECAA NS(=O)(=O)c1ccc(F)c(C(=O)NCCSc2ncn[nH]2)c1 91713264 NEGAAANZOSSOSN-UHFFFAOYSA-N 345.381 0.113 0 50 ECAA NC[C@@H]1CN(CC(=O)Nc2ccc(Cl)c(C(=O)O)c2)CCO1 243892390 AHQFFLSTBIAQPH-SNVBAGLBSA-N 327.768 0.636 0 50 ECAA O=C(NCc1cc2n(n1)CCN(C(=O)C1CCC1)C2)N1CCOCC1 299781627 DVIXCDIFFALLMP-UHFFFAOYSA-N 347.419 0.567 0 50 ECAA O=C(O)C[C@H]1CN(CC(=O)NCc2cccs2)C[C@H]1c1c[nH]nn1 299765086 VDVKRLMZOTVPRB-CMPLNLGQSA-N 349.416 0.673 0 50 ECAA CN(C)C(=O)CN1CC[C@@H](NC(=O)c2ccc(Cl)s2)[C@H](O)C1 299781939 VBHAEISAKDOOOS-NXEZZACHSA-N 345.852 0.655 0 50 ECAA O=C(NCCCc1ccccn1)c1coc(CN2CC[C@H](O)C2)n1 685943860 DKHSAHOMSVMGPH-AWEZNQCLSA-N 330.388 0.999 0 50 ECAA CCN(CCn1cccn1)S(=O)(=O)c1cc(C(N)=O)cs1 952973018 XFOVEHAZIJSLLH-UHFFFAOYSA-N 328.419 0.754 0 50 ECAA CO[C@H]1COCC[C@@H]1NS(=O)(=O)c1c(C)cc(C)c2nonc12 1565511609 CPAUCPGUWPSOKV-QWRGUYRKSA-N 341.389 0.922 0 50 ECAA NC(=O)C1(C(=O)N2C[C@@H]3CC[C@H]2CN(C(=O)c2ccncc2)C3)CC1 1565508954 XVQRMDLIFHUHAN-OCCSQVGLSA-N 342.399 0.410 0 50 ECAA Cn1c(O)ncc(C(=O)N2Cc3ccccc3C[C@H]2C(=O)O)c1=O 268938705 HYJLYHKLRKAMHM-LBPRGKRZSA-N 329.312 0.138 0 50 ECAA CNC(=O)C[C@]1(O)CCCN(C(=O)c2cn(C)nc2C(C)(C)C)C1 644039272 BZULVOMULLLRAB-QGZVFWFLSA-N 336.436 0.821 0 50 ECAA O=C(c1nnc(O)c2ccccc12)N1C[C@]2(C(=O)O)C[C@]2(C(=O)O)C1 1704325845 UMZNTWXUDXDRAT-IYBDPMFKSA-N 343.295 0.337 0 50 ECAA COCCN1CCC(C(=O)N2CCCN(c3cnccn3)CC2)CC1 1772807413 VOBVUBAKDYPTBW-UHFFFAOYSA-N 347.463 0.874 0 50 ECAA C[C@H]1C(=O)N2CCC[C@@H]2CN1C(=O)CSc1nnc(N)s1 1772709800 NNIFNCPZSMUSQY-JGVFFNPUSA-N 327.435 0.434 0 50 ECAA CN1CC2(CCN(C(=O)CCn3ccccc3=O)CC2)OCC1=O 1772812130 BHEIAJVIOUGDIO-UHFFFAOYSA-N 333.388 0.088 0 50 ECAA Cc1cccc(C)c1N(CC(=O)N1CCN(C)CC1)S(C)(=O)=O 19812218 MQWXTFCVMRUBFP-UHFFFAOYSA-N 339.461 0.843 0 50 ECAA Cn1nc(C(F)F)cc1C(=O)N[C@H]1C[C@H]2CO[C@@H](CCO)CN2C1 1857687368 UGGYRKYVGWEMFX-DCAQKATOSA-N 344.362 0.312 0 50 ECAA CNC(=O)[C@@]1(COC)CCCN1S(=O)(=O)c1cncc(Cl)c1 643704149 LCHIRDRQZRRMGM-ZDUSSCGKSA-N 347.824 0.651 0 50 ECAA NC(=O)C[C@]1(O)CCCN(C(=O)c2ccc(C(F)(F)F)cn2)C1 643995174 AAVZMOMLGANFLI-CYBMUJFWSA-N 331.294 0.943 0 50 ECAA COC[C@@]1(C(N)=O)CCCN1C(=O)CCn1cnc2ccccc21 644058178 WNGVSLOJOJIAKY-QGZVFWFLSA-N 330.388 0.919 0 50 ECAA COCCN1CCN(CC(=O)N=c2cc[nH]n2[C@H](C)C2CC2)C[C@@H]1C 252475027 QUNMFISAKYIYQJ-LSDHHAIUSA-N 349.479 0.867 0 50 ECAA O=C(O)[C@@H](CNc1ccnc(N2CCOCC2)n1)C1CCOCC1 863734734 JPMBDRCQCYNNOC-ZDUSSCGKSA-N 336.392 0.853 0 50 ECAA CCC(=O)NC1CCN(S(=O)(=O)CC2(C(=O)OC)CCC2)CC1 952874966 SKALMZJVQSYZPG-UHFFFAOYSA-N 346.449 0.650 0 50 ECAA Cn1cncc1CCC(=O)N[C@H]1CCOC[C@H]1Nc1ccncn1 952889183 YCIYCKJEXQPSGW-UONOGXRCSA-N 330.392 0.529 0 50 ECAA COc1ccc(Cn2nnc([C@]3(C(F)(F)F)CCCN3)n2)nn1 1875281905 DSZVRNAFASADHH-NSHDSACASA-N 329.286 0.661 0 50 ECAA O=C1CC[C@@H](N2Cc3c(C(=O)N4CCC4)cccc3C2=O)C(=O)N1 1875288917 LDOARPXJOYUQDM-CYBMUJFWSA-N 327.340 0.294 0 50 ECAA COC1(OC)CCCN(C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)C1 1875331147 RPNCSBCXDOJDKZ-AWEZNQCLSA-N 333.392 0.985 0 50 ECAA Cn1cncc1CC(=O)N[C@@H]1C[C@H](Cn2cc(Cl)cn2)C[C@H]1O 1875403715 ZDYLQCWXCKPEKD-ZLKJLUDKSA-N 337.811 0.768 0 50 ECAA CN1C(=O)CC[C@H](CNC(=O)c2cn(C)cn2)[C@H]1c1cnn(C)c1 886028065 ZDLWHGPGQYEVEM-ABAIWWIYSA-N 330.392 0.493 0 50 ECAA CN(C)C(=O)C[C@]1(O)CCCN(C(=O)N[C@@H]2C[C@H]3OCCC[C@H]23)C1 888093596 JDDXILSMWFDSOV-VMUDFCTBSA-N 339.436 0.569 0 50 ECAA O=C1CN(C(=O)c2ccn(Cc3ccccc3)c2)[C@@H](C(=O)O)CN1 2325822572 CBSCAFOEMBZRDB-CQSZACIVSA-N 327.340 0.562 0 50 ECAA COCC(=O)NC1CN(Cc2nc3c(s2)CN(C(C)C)CC3)C1 459640452 RQGXQHGRIMXDPY-UHFFFAOYSA-N 338.477 0.856 0 50 ECAA NC(=O)c1c(NC(=O)C(=O)NCc2cccnc2)sc2c1CCC2 6671793 ULHJRKBIPHUFJS-UHFFFAOYSA-N 344.396 0.986 0 50 ECAA CCNC(=O)[C@@H]1C[C@H](N)CN1C(=O)c1cc(-n2cccc2)ccc1O 67841703 VEOPJVXEOAJAMR-WFASDCNBSA-N 342.399 0.861 0 50 ECAA COCc1cc(CNC(=O)[C@@]23CNC[C@@H]2CN(C2CCCC2)C3)n[nH]1 67723765 NLBDEKBZGUVDRO-FZKQIMNGSA-N 347.463 0.636 0 50 ECAA NC(=O)CN1CCC=C(CN2CCC[C@H](NC(=O)N3CCCC3)C2)C1 67803065 QFQRPUWMBFYDJA-INIZCTEOSA-N 349.479 0.374 0 50 ECAA O=C(O)c1cn(C[C@H]2CCCN(C(=O)c3cnn4cc[nH]c34)C2)nn1 67673259 GVQRFHZMXQUBDB-JTQLQIEISA-N 343.347 0.505 0 50 ECAA CCN(CC)C(=O)[C@@H]1C[C@@H](N)CN1C(=O)c1c(C)nc2ncccn12 67910432 GWRLGEBMSNONKZ-OLZOCXBDSA-N 344.419 0.448 0 50 ECAA Cc1cc(NC(=O)[C@H](C)N2CCO[C@@H](CNc3cccnn3)C2)no1 229826863 ZRJLFOMXRSQZFC-STQMWFEESA-N 346.391 0.913 0 50 ECAA CCc1ncnc(N2C[C@@H](O)[C@H](N(C)Cc3nnc(C)o3)C2)c1F 328652256 WHFQDXWLLRTBEN-VXGBXAGGSA-N 336.371 0.551 0 50 ECAA Cc1ccccc1OC[C@@H](O)CN1CCC(S(N)(=O)=O)CC1 367141101 OFZDTNQOCVYLJE-ZDUSSCGKSA-N 328.434 0.488 0 50 ECAA CS(=O)(=O)C[C@@H]1CCCN(Cc2cccc(OCC(N)=O)c2)C1 215114092 HFJZDUKWXIWHEA-CQSZACIVSA-N 340.445 0.807 0 50 ECAA COc1ccc(C(=O)N2CCOC[C@@H]2C(=O)O)cc1N1CCNC1=O 262811589 UFPNGGXRTKFNOL-GFCCVEGCSA-N 349.343 0.150 0 50 ECAA O=C(CN1CC[C@](O)(c2c[nH]nn2)C1)N1CCSc2ccccc21 284775817 KAMOEPANTSBOLY-MRXNPFEDSA-N 345.428 0.837 0 50 ECAA CN(C)C(=O)c1cccc(CCNC(=O)N[C@@H]2CCCCNC2=O)c1 173906288 YCGCLILVEMPAJQ-OAHLLOKOSA-N 346.431 0.899 0 50 ECAA Cc1nc2ccc(N3CC[C@@](O)(c4cn(C(C)C)nn4)C3)nn2n1 284559205 ODBIOAJEEYWTON-HNNXBMFYSA-N 328.380 0.703 0 50 ECAA O=C(NCCCn1ccnc1)[C@@H]1CC(=O)N(Cc2ccccn2)C1 47614569 BFXPFBLSBYXART-CQSZACIVSA-N 327.388 0.833 0 50 ECAA CN(C)c1nc(N)nc(CNC(=O)c2cnn(-c3ccccc3)c2)n1 426545003 HVEKMGMQMAQXKI-UHFFFAOYSA-N 338.375 0.636 0 50 ECAA NC(=O)CO[C@H]1CCOC[C@H]1NC(=O)CCc1ccc(F)c(F)c1 222486493 MFRYXUOJHWNIKP-KGLIPLIRSA-N 342.342 0.673 0 50 ECAA Cc1n[nH]c(C)c1CCNC(=O)N1CCC(NS(C)(=O)=O)CC1 426739073 PADTYNMRWITFLI-UHFFFAOYSA-N 343.453 0.292 0 50 ECAA Cn1ccc(NC(=O)c2cn(C)nc2C(=O)Nc2ccn(C)n2)n1 20617213 URLFHMXBTXIZDU-UHFFFAOYSA-N 328.336 0.392 0 50 ECAA COCc1nc(CNC(=O)[C@H]2COCCN2CC(F)F)cs1 291101648 LTSDXLPYOPGKHI-SNVBAGLBSA-N 335.376 0.872 0 50 ECAA CN(C)C(=O)NCC(=O)N1CC[C@]2(CCCN(CC3CC3)C2=O)C1 91907102 NDHYLBYMZPMXTF-QGZVFWFLSA-N 336.436 0.509 0 50 ECAA O=C(CC[C@@H]1NC(=O)NC1=O)NCc1coc(-c2ccccc2)n1 91997244 RPEOWZNKUYHPIC-LBPRGKRZSA-N 328.328 0.946 0 50 ECAA CS(=O)(=O)N1CCN(C(=O)Nc2cccc3nsnc23)CC1 96163232 PIVIWPCXFSDIDJ-UHFFFAOYSA-N 341.418 0.800 0 50 ECAA CNc1nc(N2C[C@H]3CN(CCOC)C[C@@]3(C(=O)O)C2)ncc1F 91365179 WXXHZIFOEHYTTD-MEBBXXQBSA-N 339.371 0.127 0 50 ECAA Nc1nnc(SCC(=O)N2CCC3(CC2)OCCC[C@@H]3O)s1 95387438 XOXUESOZDQDNSI-VIFPVBQESA-N 344.462 0.745 0 50 ECAA Cc1nn(C)c(C)c1CCC(=O)N1Cc2nc[nH]c2C[C@@H]1C(=O)O 96147788 TWPOYFSVPMGQLT-CQSZACIVSA-N 331.376 0.731 0 50 ECAA O=C1C[C@@H](C(=O)O)C2(CCN(C(=O)c3ncoc3C3CC3)CC2)N1 91468723 QRNQDOZMXJVLSW-JTQLQIEISA-N 333.344 0.748 0 50 ECAA C[C@@]1(NC(=O)Nc2ccc(-n3cnnn3)cc2)CCS(=O)(=O)C1 96152146 MJTUFDGSIGTBCQ-CYBMUJFWSA-N 336.377 0.361 0 50 ECAA Cc1cc(F)ccc1CN1CCN(CCO)[C@@H]2CS(=O)(=O)C[C@@H]21 95378309 MVELMRGTNPMBNC-CVEARBPZSA-N 342.436 0.410 0 50 ECAA CC(=O)N1CC2(CCN(c3ncccc3C(N)=O)CC2)C[C@H]1C(=O)O 91725202 VNKQLEHKPZSRGP-ZDUSSCGKSA-N 346.387 0.473 0 50 ECAA NC(=O)c1ccc(NC(=O)CCN2C[C@@H]3CCC[C@H](C2)C(=O)N3)cc1 244866698 WAYOEOVLCZULAB-HIFRSBDPSA-N 344.415 0.715 0 50 ECAA Cn1ccnc1[C@](O)(CCNC(=O)[C@@H]1CCC[C@H]1N)C(F)(F)F 299738633 DICFXWNTPRWUAM-GIPNMCIBSA-N 334.342 0.804 0 50 ECAA O=C1CSCN1CC(=O)N1CCC[C@H]1Cn1cc(C2CC2)nn1 299742660 IDSPYCJNRDEAEJ-LBPRGKRZSA-N 335.433 0.679 0 50 ECAA O=C1CCN(C(=O)NCCS(=O)(=O)c2ccc(F)cc2)CCN1 362800660 IIUSVELCNFBAKU-UHFFFAOYSA-N 343.380 0.131 0 50 ECAA CO[C@@]12CC[C@@H](O)C[C@@H]1N(Cc1cnc(NCC(=O)O)nc1)CC2 299778694 QKJZSXOYDRMYJE-DVOMOZLQSA-N 336.392 0.477 0 50 ECAA Cc1ccccc1[C@H]1CCN(CCNC(=O)CCn2cnnn2)C1 299803156 YMCJWGWYHSEADC-HNNXBMFYSA-N 328.420 0.977 0 50 ECAA COCCc1noc([C@H](C)NC(=O)CSc2nncn2C)n1 299759270 PRZCMBNXOYJIRG-QMMMGPOBSA-N 326.382 0.357 0 50 ECAA COc1ccccc1N1C[C@@H](NC(=O)CCCn2cncn2)CC1=O 299787317 VWWWOHSYAFXIMA-ZDUSSCGKSA-N 343.387 0.989 0 50 ECAA CN(C)C1=NC2(CCN(C[C@@H]3COc4ccccc4O3)CC2)C(=O)N1 670438041 QLICIXJQXFBMKI-CYBMUJFWSA-N 344.415 0.708 0 50 ECAA O=C(CCC(=O)N1CCOCC1)Nc1cncnc1N1CCCC1 268454430 BEOIVINCGUUOJU-UHFFFAOYSA-N 333.392 0.654 0 50 ECAA Cc1cncc(C(=O)N2CCCN(C(=O)CNC(=O)N(C)C)CC2)c1 1529109548 DQXBFTNGZSEERK-UHFFFAOYSA-N 347.419 0.336 0 50 ECAA CC(=O)N1CCCC[C@@H]1C(=O)N1CCc2nnc(N(C)C)cc2C1 375692197 ZLWBEAPPNPUBEP-OAHLLOKOSA-N 331.420 0.828 0 50 ECAA Cc1noc(COC2CN(C(=O)[C@@H]3Cc4ccccc4C(=O)O3)C2)n1 818660074 FTMKBXYWOFIHRT-AWEZNQCLSA-N 343.339 0.887 0 50 ECAA CCn1cc(S(=O)(=O)N[C@@H]2CCOC[C@H]2N2CCCC2)cn1 952876776 FBXDDKKODWBNML-ZIAGYGMSSA-N 328.438 0.435 0 50 ECAA O=C(NS(=O)(=O)N1CCOCC1)c1nsc2ccccc12 1875283928 ICVGFZILUPRZKT-UHFFFAOYSA-N 327.387 0.603 0 50 ECAA COCCn1nc2c(c1C(=O)N1CCN(C)CC1)C[C@H](C)O[C@@H]2C 1875314547 DYDZTIHGTCMVQN-QWHCGFSZSA-N 336.436 0.939 0 50 ECAA C=CC(=O)N1CCC(C(=O)N2CCN(c3cnn(C)c3)CC2)CC1 1875369212 APJRVUMVTFTPLN-UHFFFAOYSA-N 331.420 0.493 0 50 ECAA CN1CC[C@H](O)[C@H](C(=O)NCCc2noc(-c3ccccc3)n2)C1 2100543046 KWVHMLFXTHXJSY-KGLIPLIRSA-N 330.388 0.708 0 50 ECAA CC(C)c1nc(O)ccc1C(=O)N[C@H]1COC[C@@H]1N1CCN(C)CC1 2100545096 PQIJFBXSTFOFMI-GJZGRUSLSA-N 348.447 0.655 0 50 ECAA O=C(NCCN1C[C@@H]2CCCCN2C1=O)c1cc([C@H]2CCCN2)[nH]n1 2325797542 FDYUNGFCXRZXMR-QWHCGFSZSA-N 346.435 0.854 0 50 ECAA OC[C@@H]1CN(c2nccn3cnc(-c4ccccc4)c23)C[C@@H](CO)O1 2325807218 IKKOZYABCIPTSW-GJZGRUSLSA-N 340.383 0.955 0 50 ECAA CC(=O)N[C@]12CCOC[C@@H]1CN(C(=O)CCc1ccc(O)nc1)C2 2325848226 BVXQGBUKKQURIO-YOEHRIQHSA-N 333.388 0.473 0 50 ECAA CC(=O)NC(=S)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 615330 CJMADAJQMPNXQR-UHFFFAOYSA-N 343.430 0.540 0 50 ECAA COc1cccc(CC(=O)N2CCC3(CC2)C[C@@H](O)[C@@H](O)CO3)c1 2356160518 WEFSJJJBZUEIOS-CVEARBPZSA-N 335.400 0.741 0 50 ECAA CN(CC(=O)O)S(=O)(=O)c1cc2c3c(c1)CCC(=O)N3CCC2 341381152 CDFRMCNRCFVTJL-UHFFFAOYSA-N 338.385 0.617 0 50 ECAA Nc1nc(N2CCOCC2)cc(N2CCCC3(CCNCC3)C2)n1 65454195 WJLAFYRGQSZSBN-UHFFFAOYSA-N 332.452 0.865 0 50 ECAA 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CC(=O)N1C[C@H](N=c2cc[nH]cc2C(N)=O)CC[C@H]1C(F)(F)F 886035487 ZJKAYEXVBLYLCO-SKDRFNHKSA-N 330.310 0.956 0 50 ECAA CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)c1n[nH]c(-c2ccccc2)c1C 1565531243 QNFQSGDOEGUBMM-STQMWFEESA-N 349.412 0.927 0 50 ECAA O=C(O)c1ccc(O[C@H]2COCC[C@@H]2NC(=O)c2nc[nH]n2)cc1 1565529507 QSUFKJIFGSOPGO-RYUDHWBXSA-N 332.316 0.469 0 50 ECAA C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NCC1CN(S(C)(=O)=O)C1 189708405 GZBMFWTUGIWVQO-PBHICJAKSA-N 337.489 0.988 0 50 ECAA CO[C@@](C)(C(=O)O)C(=O)Nc1ccc(CN2C(=O)CNC2=O)cc1 663078872 FCVKPEIFWYPVMP-OAHLLOKOSA-N 335.316 0.167 0 50 ECAA Cn1nccc1-n1nc([C@H]2CCOC2)nc1CCN1CCCC1=O 1772810292 KDSCYKJJCUVWLY-LBPRGKRZSA-N 330.392 0.670 0 50 ECAA CN1C(=O)NCC12CN(C(=O)Cn1ccnc1-c1ccccc1)C2 1857680770 URUXCRHIIVOGHW-UHFFFAOYSA-N 325.372 0.786 0 50 ECAA O=C(NC[C@@H]1CCCO1)[C@@]12CCCCN1C[C@@H](N=c1cncc[nH]1)C2 1857699434 UNBHTPONLYNCFJ-MPGHIAIKSA-N 345.447 0.603 0 50 ECAA COc1ccc(C)cc1S(=O)(=O)N1CCO[C@@H](CC(=O)O)C1 317223259 XGYOTTSEHRHCKM-NSHDSACASA-N 329.374 0.868 0 50 ECAA CN(C)C(=O)CCN1CCN(S(C)(=O)=O)c2ccccc2C1 331385616 BEHWBVAJCOMHKH-UHFFFAOYSA-N 325.434 0.747 0 50 ECAA CC1=C[C@@]23C(=O)[C@@H](C=C(CO)[C@H](O)[C@]2(O)[C@@H]1O)[C@@H]1[C@@H](C[C@H]3C)C1(C)C 253590333 VEBVPUXQAPLADL-REBAVJMVSA-N 348.439 0.815 0 50 ECAA biogenic CC(=O)N1CCOC[C@@H]1C(=O)N1CCN(Cc2ccccc2C)CC1 371252293 UTSRNVHWRFXGEL-GOSISDBHSA-N 345.443 0.887 0 50 ECAA CNC(=O)c1ccc(NC[C@@H]2C[C@H](F)CN2Cc2ccnn2C)nn1 377159828 UIVBRZJZSSSPMJ-AAEUAGOBSA-N 347.398 0.594 0 50 ECAA CC(C)c1ncc(CN2C[C@H]3COC[C@@H]2CN(CC(=O)O)C3)cn1 1704307481 HDEYZMOUPAEQQL-GJZGRUSLSA-N 334.420 0.817 0 50 ECAA COc1ccc2c(n1)N(C)CCN2C(=O)COC1CCN(C)CC1 830105429 KECYMUXRZOGKQP-UHFFFAOYSA-N 334.420 0.984 0 50 ECAA NS(=O)(=O)C1CN(C(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)C1 864094412 USXCUMFQZINLJQ-SFYZADRCSA-N 329.344 0.790 0 50 ECAA O=C(O)[C@@H](Cc1ncccn1)NS(=O)(=O)c1ccc2c(c1)OCC2 1875266770 HWEGXZBNQDYMEC-GFCCVEGCSA-N 349.368 0.386 0 50 ECAA CCOC(C)(C)CS(=O)(=O)N1CCC[C@@H](N2CCNC2=O)C1 1875272824 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326.381 0.454 0 50 ECAA in-vivo CN1CCC[C@@H](CNS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)C1 67756432 TVQNXSDKQBEAET-NSHDSACASA-N 339.417 0.752 0 50 ECAA CN1CCO[C@H](CCNC(=O)c2ccc3c(c2)N(C)C(=O)CO3)C1 67696128 YKEDXRIZCREEDZ-CYBMUJFWSA-N 333.388 0.492 0 50 ECAA COC(=O)c1cc2c(=O)n(CCN3CCOCC3)ccc2nc1C 36125546 VKGOOWNJCYOCCS-UHFFFAOYSA-N 331.372 0.824 0 50 ECAA O=C(O)[C@@H](CCC(=O)N1CCOCC1)N1C(=O)c2ccccc2C1=O 341245 ZLOFPKUKXVFIFW-CYBMUJFWSA-N 346.339 0.375 0 50 ECAA C[C@H](C(=O)N(C)C)S(=O)(=O)Nc1ncccc1N1CCCC1 375072934 AXOHUDODVKZSKF-LLVKDONJSA-N 326.422 0.900 0 50 ECAA O=C(Cn1cnnn1)NC[C@@]1(Cc2ccc(F)cc2)CCC[C@@H]1O 253428671 BALRZXMBEWBKSI-HOCLYGCPSA-N 333.367 0.702 0 50 ECAA CCCN(C(=O)[C@H]1CCn2cncc2C1)[C@@H]1CCS(=O)(=O)C1 328920304 LSLMPLQLIJCPSC-QWHCGFSZSA-N 325.434 0.871 0 50 ECAA CN1CCN([C@@H]2CCN(Cc3ccccc3OCC(=O)O)C2)CC1 215848340 XLEPCTLERRDOCU-MRXNPFEDSA-N 333.432 0.972 0 50 ECAA CN(Cc1nccc(N)n1)[C@H]1CCN(C(=O)CC[C@H]2CCOC2)C1 333029821 LVAWYMUXPZZVOI-KBPBESRZSA-N 333.436 0.908 0 50 ECAA 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CS(=O)(=O)NCCC(=O)NC[C@@H]1CCCN(c2ccccn2)C1 243901437 BBKMYZFOUXEQER-ZDUSSCGKSA-N 340.449 0.354 0 50 ECAA Cn1cnn(CC(=O)N2CCN(CC(F)(F)F)CC2(C)C)c1=O 183123059 ACOGYMFDMGNNDC-UHFFFAOYSA-N 335.330 0.067 0 50 ECAA Cn1cc(O[C@@H]2CN(S(=O)(=O)C3CCCCC3)C[C@H]2O)cn1 625315957 XPQMOIFPMIOSGJ-ZIAGYGMSSA-N 329.422 0.507 0 50 ECAA COc1ccnc(CN2C[C@@H](O)[C@H](Oc3cnn(C)c3)C2)c1OC 625628895 KESWUIQZVOFMDP-UKRRQHHQSA-N 334.376 0.456 0 50 ECAA CCN1CCCC[C@H]1CNC(=O)N1CCN(CCn2cncn2)CC1 534663462 CUPKOGFGJWDWFD-INIZCTEOSA-N 349.483 0.480 0 50 ECAA COc1cc(C)ccc1S(=O)(=O)N1CC[C@@H](CN(C)C)[C@H](O)C1 824541345 ZYDAZTAZYNEGQU-UONOGXRCSA-N 342.461 0.937 0 50 ECAA C[C@H](C(=O)Nc1nccn(C)c1=O)N1C(=O)[C@@H]2CCCC[C@H]2C1=O 267905432 DEJIWYORMBROBG-GMTAPVOTSA-N 332.360 0.283 0 50 ECAA CN(CCN1CCOCC1)S(=O)(=O)c1ccc(-c2cc[nH]n2)o1 952861493 HHFTVWAWTGNENN-UHFFFAOYSA-N 340.405 0.622 0 50 ECAA Cc1nc(O)nc(O)c1CC(=O)NCC1(Cn2ccnc2C)CC1 952981905 VLNOJISOPJCVBB-UHFFFAOYSA-N 331.376 0.840 0 50 ECAA CCN(CC)S(=O)(=O)N[C@H]1COCC[C@@H]1OCc1ccccn1 1565515479 SOPZLRCZKQGPPA-GJZGRUSLSA-N 343.449 0.932 0 50 ECAA CN(C)C(=O)CO[C@H]1COCC[C@@H]1NC(=O)c1n[nH]c2ccccc12 1565528718 YNYGNRMXICHIEG-KBPBESRZSA-N 346.387 0.555 0 50 ECAA O=C([C@H]1CCCCS1(=O)=O)N1CCO[C@H](Cn2cccn2)C1 274678981 LYLDNMZNEPGSNH-QWHCGFSZSA-N 327.406 0.078 0 50 ECAA O=C(O)CN1CCC(NS(=O)(=O)c2cccc3nonc23)CC1 275170224 CBCBKBGDKYKWJS-UHFFFAOYSA-N 340.361 0.050 0 50 ECAA Cn1ccnc(N2CCC[C@@H](NCc3ccc(C(N)=O)cc3)C2)c1=O 275523330 LIHMVNLGLAEZKN-OAHLLOKOSA-N 341.415 0.638 0 50 ECAA Cn1cc(NC(=O)N[C@@H]2CCCN(c3nccn(C)c3=O)C2)cn1 275862020 XNUYYJCVLMRUOR-LLVKDONJSA-N 331.380 0.304 0 50 ECAA Cc1nnc2n1C[C@H](C(=O)NCc1ccc3cncn3c1)N(C)C2 644488231 LSYNMQJYZOGAPV-CQSZACIVSA-N 325.376 0.365 0 50 ECAA CN1CC[C@@H](C(=O)NCc2cccc(C(F)(F)F)n2)S1(=O)=O 648405848 RRYWMVNGLFKFFO-VIFPVBQESA-N 337.323 0.751 0 50 ECAA CC1(C)[C@@H](CNS(=O)(=O)N2CCC[C@@H](C(=O)O)C2)C1(F)F 663424686 BYUQLIKOJHBKKZ-RKDXNWHRSA-N 326.365 0.909 0 50 ECAA 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SBADJXZAFQMSLG-SNVBAGLBSA-N 334.380 0.320 0 50 ECAA COc1cccc(CNC(=O)N2CCC(CS(N)(=O)=O)CC2)c1 264182003 BCDUVPLZTMVHPX-UHFFFAOYSA-N 341.433 0.905 0 50 ECAA CNC(=O)[C@H]1CCCN1S(=O)(=O)Cc1ccc(C(=O)O)cc1 387118241 GQLLTLHKXGQMJX-GFCCVEGCSA-N 326.374 0.425 0 50 ECAA CNC(=O)[C@H]1Cn2c(C)nnc2CN1C(=O)c1ccnc(C2CC2)c1 818372418 YZHUAKRXEGTPNO-CQSZACIVSA-N 340.387 0.630 0 50 ECAA CN1C(=O)CN=C1NC(=O)[C@@H](O)Cc1cccc(C(F)(F)F)c1 827627088 AMNZHFXOXXOVOP-JTQLQIEISA-N 329.278 0.553 0 50 ECAA CN(C)[C@@H]1CN(Cc2ccc(-n3ccnc3)nc2)C[C@@H]1n1ccnn1 859756438 NODMMRZDWJJHLV-CVEARBPZSA-N 338.419 0.846 0 50 ECAA CN(Cc1cnn2c1CNCC2)[C@H]1CCN(CC(F)(F)F)C1=O 952890380 ZTMOMHNVZMIQDO-NSHDSACASA-N 331.342 0.581 0 50 ECAA CN1C[C@@H](NC(=O)Cn2cc3ccccc3n2)[C@H](c2cncn2C)C1 952885893 BXOFPGFKZAZSJM-GDBMZVCRSA-N 338.415 0.984 0 50 ECAA CCC(=O)N[C@@H](C(=O)N[C@@H](CO)CC1OCCO1)c1ccccc1 1875283835 DQIKOIQVKHYKLD-CZUORRHYSA-N 336.388 0.494 0 50 ECAA COC1(c2cnnn2C)CN(C(=O)c2n[nH]c3c2C[C@H](C)O[C@@H]3C)C1 1875395088 KNRDSYYEXKNPBF-VHSXEESVSA-N 346.391 0.558 0 50 ECAA CNc1ccc(C(=O)NC[C@@H]2OCCN(C)[C@H]2c2ccnn2C)cn1 886079002 AVWRFVDOLWUQND-HOCLYGCPSA-N 344.419 0.659 0 50 ECAA C[C@@H]1CN(C(=O)CCn2ncn(C)c2=O)CCN1c1ccccc1 890192211 VSGMMEKRHRATEQ-CQSZACIVSA-N 329.404 0.709 0 50 ECAA C[C@@H]1CCOCCN1C(=O)NCC1(N2CCOCC2)CCOCC1 895298891 OTAOUJUHFGIQIP-OAHLLOKOSA-N 341.452 0.688 0 50 ECAA COC(=O)c1cc(C2CN(S(=O)(=O)CC[C@@H]3CCCO3)C2)[nH]n1 1775990298 LERUOUICKFEMQO-NSHDSACASA-N 343.405 0.494 0 50 ECAA COCCC1(S(=O)(=O)N2C[C@@H](N)[C@H](c3cn(C)cn3)C2)CC1 1775962534 QPRDWKYVXUYWOB-VXGBXAGGSA-N 328.438 0.046 0 50 ECAA Cc1cc(C)nc(-n2[nH]c(C(=O)N3C[C@@H]4CCC[C@@]4(N)C3)cc2=O)n1 2325865338 YSOIKJUCRXFNLK-YVEFUNNKSA-N 342.403 0.526 0 50 ECAA COc1cccc(N(CC(=O)N2CCOCC2)S(C)(=O)=O)c1 379652 WWDBTXPVMQNSKJ-UHFFFAOYSA-N 328.390 0.320 0 50 ECAA CN(C)C1=NC2(CCN(Cc3ccn4ncnc4c3)CC2)C(=O)N1 2356152569 PPKFSPPOIMLKBR-UHFFFAOYSA-N 327.392 0.111 0 50 ECAA Cn1cncc1C(=O)N1CCc2nc(C3CCOCC3)nn2CC1 2356169961 OANIWQJQGHQWOX-UHFFFAOYSA-N 330.392 0.604 0 50 ECAA CS(=O)(=O)N[C@@H]1CCC[C@H]1CNC(=O)CC1C[C@@H]2CC[C@H](C1)N2 246261785 LBRVARJIUGHNDU-SCXOTVEISA-N 343.493 0.741 0 50 ECAA O=C1C[C@H]2CC[C@@H](CN1)N2C(=O)CCn1nnc(-c2ccccc2)n1 65369763 AJNZJFGWCKSXGX-KGLIPLIRSA-N 340.387 0.610 0 50 ECAA O=C(N[C@H]1CCCCNC1=O)c1cn2c3c(cccc3c1=O)CC2 65433914 CEQAXLDVIPLAJD-AWEZNQCLSA-N 325.368 0.956 0 50 ECAA O=C(CCN1CCCCO1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 55119980 HGBLIUGRINNLSA-AWEZNQCLSA-N 325.409 0.254 0 50 ECAA CCCc1nc(C)cc(NC[C@@H]2CN(S(C)(=O)=O)CCO2)n1 65528521 BSVUEHDVDMQMLB-GFCCVEGCSA-N 328.438 0.810 0 50 ECAA CC(C)NC(=O)N1CCC(Cn2cc(CN(C)CCO)nn2)CC1 23146106 DFBNECFOWNHFRA-UHFFFAOYSA-N 338.456 0.532 0 50 ECAA COC(=O)c1ccc(S(=O)(=O)N2CC[C@@]3(CCCNC3)C2)n1C 67673795 ZAEAERNSERMXAN-OAHLLOKOSA-N 341.433 0.576 0 50 ECAA CN(C)c1ncccc1O[C@@H]1CCN(C(=O)Cn2ccccc2=O)C1 328631485 RAHXLNPHPAAOAV-CQSZACIVSA-N 342.399 0.989 0 50 ECAA CCN(CC)C(=O)[C@@H]1C[C@H](N)CN1C(=O)c1cc(O)c(C)c(O)c1 67805912 ODEBMVYIFVXVMS-STQMWFEESA-N 335.404 0.816 0 50 ECAA CNC(=O)c1noc(CNC(=O)[C@H](c2ccc(F)cc2)N(C)C)n1 219309162 YANSZMHHBIROAA-LBPRGKRZSA-N 335.339 0.487 0 50 ECAA Cc1cnc(N2CCC[C@@H](C(N)=O)C2)nc1N1CCC[C@@H](C(N)=O)C1 229403481 TVTZKSLYNBQVJJ-CHWSQXEVSA-N 346.435 0.188 0 50 ECAA CN(C[C@@H]1C[C@H](F)CN1Cc1cncnc1)C(=O)Cc1cnn(C)c1 328630803 JUWIVKZICBCUCX-HOTGVXAUSA-N 346.410 0.824 0 50 ECAA CCNC(=O)CCC(=O)NC1CN(c2nccn3nc(C)cc23)C1 1363952401 BRVSJJFXDWKFLV-UHFFFAOYSA-N 330.392 0.259 0 50 ECAA O=C(CN1C(=O)CNC1=O)N1CCC[C@]2(C1)C(=O)Nc1ccccc12 72173756 CTUGEYHIMLJWFD-QGZVFWFLSA-N 342.355 0.051 0 50 ECAA COc1cc(OC)cc(N2CC[C@@H](N(C)Cc3nnnn3C)C2)c1 361357759 FNFPJDLEUVEQQC-GFCCVEGCSA-N 332.408 0.938 0 50 ECAA COc1ccc(OC)c(S(=O)(=O)NC[C@H]2CNCCOC2)c1 72134672 BPZVMURFUVCHCR-LLVKDONJSA-N 330.406 0.218 0 50 ECAA COC1CCC(NC(=O)N2CCN(c3cnn(C)c3)C(=O)C2)CC1 332345389 XCJWQGWEYFIRAQ-UHFFFAOYSA-N 335.408 0.736 0 50 ECAA COC(=O)c1ccc(S(=O)(=O)N[C@@H]2CCCN[C@@H]2C)cc1OC 262809505 XUJQPPHVXJAUQO-ZWNOBZJWSA-N 342.417 0.901 0 50 ECAA C[C@H](Cn1cncn1)NC(=O)CCn1cnc2ccccc2c1=O 219291561 NTUINLMHGUNUKR-GFCCVEGCSA-N 326.360 0.583 0 50 ECAA O=C(C1=NN(CCO)C(=O)CC1)N1CCN[C@H](c2cccc(F)c2)C1 374372804 QBBRSBSWJPPOFI-HNNXBMFYSA-N 348.378 0.269 0 50 ECAA CN(C)c1ccnc(C(=O)N[C@@H]2CCC(=O)N[C@H]2c2ccnn2C)c1 285149349 FWEFULPHFJUUJO-MLGOLLRUSA-N 342.403 0.631 0 50 ECAA COc1cccc(N2CCN(C(=O)CCCn3cncn3)CC2=O)c1 82086540 QPNZDTGANWPKRI-UHFFFAOYSA-N 343.387 0.942 0 50 ECAA COCc1cc(CNC(=O)c2ccc3c(c2)N(C)C(=O)CO3)[nH]n1 426428755 JYYIQSHQJDXMJX-UHFFFAOYSA-N 330.344 0.841 0 50 ECAA COCc1nnc(NC(=O)CN2CCC[C@H]2c2nc(C)n[nH]2)s1 244626628 FPLFIZTXXSOOKB-VIFPVBQESA-N 337.409 0.887 0 50 ECAA COCCc1noc(CN2CCC[C@H](c3nnc(CO)n3C)C2)n1 243932462 BVNQIDCMYHLTQO-NSHDSACASA-N 336.396 0.259 0 50 ECAA Cc1cc(C)n(CCNC(=O)c2c3c(nn2C)CCCC3)c(=O)n1 299780392 SNFPOWSFCIJHOL-UHFFFAOYSA-N 329.404 0.902 0 50 ECAA CS(=O)(=O)c1ccc(NC(=O)NC[C@@H](O)CN2CCCC2)cc1 299780815 CXKYMYHNFXFYDH-CYBMUJFWSA-N 341.433 0.668 0 50 ECAA COc1cc(-n2cnnn2)ccc1NC(=O)[C@@H](C)N1CCCC1=O 824596713 OJANZTVIHHFIPP-SNVBAGLBSA-N 330.348 0.620 0 50 ECAA O=C(CCn1cnc2ccccc21)N1CCN(CCOCCO)CC1 828765939 RZWNZZNLORUUAV-UHFFFAOYSA-N 346.431 0.580 0 50 ECAA Cc1cc(=O)c(C(=O)NC2CCN(CC(=O)NC3CC3)CC2)c[nH]1 1003903410 KMLBIFBHMSYHJE-UHFFFAOYSA-N 332.404 0.156 0 50 ECAA Cc1c[nH]ccc1=NCCNC(=O)c1ccc2c(=O)n(C)cnc2c1 670434612 UOZAXOUJBHLJRC-UHFFFAOYSA-N 337.383 0.901 0 50 ECAA CC(C)[C@H](NS(C)(=O)=O)C(=O)N1C[C@@H](N2CCCC2)C[C@@H]1C 408102819 ISVAMWGTIVQLLR-IHRRRGAJSA-N 331.482 0.645 0 50 ECAA CNS(=O)(=O)c1ccc(C(=O)N(C)[C@H]2CCN(C(C)C)C2)cn1 408520593 NHCFDJJHZOVMPP-ZDUSSCGKSA-N 340.449 0.544 0 50 ECAA C[C@@H]1CN(C(=O)[C@@H]2OCC(=O)N(C)[C@H]2c2cccnc2)CCCO1 668029249 SFDVEAOXYDXOMJ-UHOFOFEASA-N 333.388 0.617 0 50 ECAA COc1cccc2c1CCN(CC(=O)N1CCC[C@H](C(N)=O)C1)CC2 193728620 RMACULNRODDHRS-HNNXBMFYSA-N 345.443 0.820 0 50 ECAA COC1(C(=O)N2CCC([C@@H](O)c3nccn3C)CC2)CCOCC1 1649792186 HOMRGRQTIXFJEB-CQSZACIVSA-N 337.420 0.888 0 50 ECAA COc1ccc(CN2C[C@@H](O)[C@H](CS(=O)(=O)N(C)C)C2)c(C)c1 1529120805 LHZCAYKGYRNFPT-GOEBONIOSA-N 342.461 0.688 0 50 ECAA CCNS(=O)(=O)[C@@H]1CCN(Cc2ccc([S@](C)=O)cc2)C1 211277328 VUEYWTCECHPZAX-VLIAUNLRSA-N 330.475 0.938 0 50 ECAA C[C@@H]1CCCCN1CC(=O)N1CCCN(C(=O)c2nccn2C)CC1 1529105775 HXJGGKUDWZKFEZ-OAHLLOKOSA-N 347.463 0.969 0 50 ECAA O=C1CO[C@@]2(CCN(c3cc(C(=O)N4CCCCC4)ccn3)C2)CN1 1772815663 XKIRCEFLBRIZKS-SFHVURJKSA-N 344.415 0.803 0 50 ECAA COCCN1C(=O)N(C)C(=O)C12CCN(Cc1ccccn1)CC2 14748412 UJEAFPKPDZGTTC-UHFFFAOYSA-N 332.404 0.957 0 50 ECAA O=C1CCN(c2ccccc2C(=O)N2C[C@H]3C[C@@H](O)C[C@H]3C2)C(=O)N1 1857683063 ASYDKNJYKNEHSH-CLLJXQQHSA-N 343.383 0.976 0 50 ECAA CN(CCn1cnc2ccccc21)S(=O)(=O)C[C@H]1COCCO1 1857705908 ABYOJPQBTMWHSK-CYBMUJFWSA-N 339.417 0.713 0 50 ECAA Cc1cc(C(=O)N[C@H]2CO[C@@H]3[C@H](O)CO[C@H]23)ccc1N1CCOCC1 1875246645 TXRBBEWPXCFHOV-RKTXRCNFSA-N 348.399 0.089 0 50 ECAA CC(=O)N1CC(C(=O)N2CCN(c3ccc(F)cc3C(N)=O)CC2)C1 622245971 ZQFGQGQYAOOPAW-UHFFFAOYSA-N 348.378 0.052 0 50 ECAA Cn1ccnc1[C@H](NC(=O)CN1CC[C@@H](C(N)=O)C1)c1ccccc1 229264979 YFBWMESBNHIIKV-GDBMZVCRSA-N 341.415 0.433 0 50 ECAA O=C(O)[C@@H]1CS(=O)(=O)CCN1C(=O)Cc1ccc(Cl)cc1 643431090 VZEDYKHLGYDUEL-NSHDSACASA-N 331.777 0.593 0 50 ECAA COC1=C[C@]23CCCN2CCc2cc4c(cc2[C@@]3(O)[C@H]1O)OCO4 256432203 MVSKPPYUIBULOR-OKZBNKHCSA-N 331.368 0.898 0 50 ECAA biogenic C[C@@H]1CN(CCO)CCN1S(=O)(=O)c1cc(F)cc(C(=O)O)c1 871971289 MXQXUJUMBUCGHO-SNVBAGLBSA-N 346.380 0.211 0 50 ECAA C[C@@H](C(=O)Nc1nccs1)N1CCC(O)(Cn2ccnn2)CC1 1875254707 MLPYGEAEXABJSQ-NSHDSACASA-N 336.421 0.589 0 50 ECAA O=C(NC[C@H]1CCS(=O)(=O)C1)C(=O)Nc1ccc2c(c1)CCN2 1875321369 GIBGFICEMWZVLY-SNVBAGLBSA-N 337.401 0.144 0 50 ECAA COc1ccc([C@H]2[C@@H](C(=O)NS(C)(=O)=O)CC(=O)N2C)cc1 1875391067 NNGPWZGZJWQLNL-AAEUAGOBSA-N 326.374 0.290 0 50 ECAA O=C(NC[C@H](n1cccn1)C(F)(F)F)c1[nH]nnc1[C@@H]1CCCN1 1875405622 KPCNXCQHGFDLPR-IUCAKERBSA-N 343.313 0.959 0 50 ECAA CNC(=O)[C@H]1CC(=O)N(C2CN(C(=O)CC3(C(F)(F)F)CC3)C2)C1 888098589 POWKUARJBAJKIU-VIFPVBQESA-N 347.337 0.524 0 50 ECAA Cn1nncc1NC(=O)C(=O)Nc1cnn(-c2ncccc2Cl)c1 2325735560 ZNUMVOAIHPJBMY-UHFFFAOYSA-N 346.738 0.626 0 50 ECAA CNC(=O)[C@H]1CCCCN1S(=O)(=O)c1cnn(CC2CCC2)c1 2325775740 OBVLENCAYVWWDG-CQSZACIVSA-N 340.449 0.972 0 50 ECAA Cc1cc(F)ccc1C(=O)N[C@H](Cn1ccc(O)nc1=O)C(=O)O 2325853838 DDXCKDKWHMFRDA-LLVKDONJSA-N 335.291 0.280 0 50 ECAA CCOC(=O)c1nnn(-c2nonc2N)c1CN1CCCC[C@H]1C 51372 ZHNXTKAGKUPFNL-SECBINFHSA-N 335.368 0.784 0 50 ECAA O=C1C[C@@H](c2ccccc2)N(CC(=O)NC[C@H]2CCCO2)CCN1 245199280 HAQSCMMBOVPZFW-CVEARBPZSA-N 331.416 0.845 0 50 ECAA COc1cc(OC)c(S(=O)(=O)N2CCC(N)CC2)c(OC)c1 225424654 BXGICONUOYLECC-UHFFFAOYSA-N 330.406 0.824 0 50 ECAA Cc1ccn(-c2ccc(N3CCC[C@@](O)(Cn4ccnn4)C3)nn2)n1 343574380 DKAUUBVORPEUDX-INIZCTEOSA-N 340.391 0.594 0 50 ECAA COc1ccnc(N2CCN(C(=O)c3n[nH]c4c3CCC4)CC2)n1 69323933 LLRSKMMFSURPFQ-UHFFFAOYSA-N 328.376 0.659 0 50 ECAA CS(=O)(=O)Nc1cc(NC(=O)Cn2cccnc2=O)ccc1F 348794387 WDCAPDFIOOQGCO-UHFFFAOYSA-N 340.336 0.393 0 50 ECAA C[C@@H](N)C(=O)NCc1cccnc1N1CCN(c2ccccn2)CC1 67562935 ZAOONWYXCGJHNE-CQSZACIVSA-N 340.431 0.767 0 50 ECAA C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCN2C(=O)C(=O)N2CCC[C@H](N)C2)C1 423557589 RPKCTATWWLUQIX-CWVYHPPDSA-N 337.464 0.724 0 50 ECAA O=C(NC[C@H]1CCCN(Cc2ccco2)C1)c1c[nH]c(=O)[nH]c1=O 67852073 BPLLSYNOIINZAQ-LLVKDONJSA-N 332.360 0.298 0 50 ECAA NC(=O)[C@@H]1CC[C@H](CNC(=O)NCc2ccccc2-n2ccnc2)O1 119548063 KECCDZLNVSKXEX-HIFRSBDPSA-N 343.387 0.704 0 50 ECAA CC(C)[C@H](C(=O)N1CCN(C[C@H](C)O)CC1)N1C[C@H](C)O[C@H](C)C1 229548435 PGWYCFUUUPEOLO-MWDXBVQZSA-N 341.496 0.645 0 50 ECAA Cc1ccc(CN2CC[C@@H](CNC(=O)c3cc(=O)[nH]c(=O)[nH]3)C2)cc1 67756719 BPFNXQSXBHNSIP-AWEZNQCLSA-N 342.399 0.624 0 50 ECAA CS(=O)(=O)N1CCC[C@@H]1C(=O)N1CCC[C@@H](n2cccn2)C1 229789483 FDCNJGXCXIFHDN-CHWSQXEVSA-N 326.422 0.471 0 50 ECAA CC(C)C(=O)N1CCN(Cc2ccccn2)[C@@H]2CS(=O)(=O)C[C@@H]21 72479989 QSEHYJVWDONCOI-CABCVRRESA-N 337.445 0.547 0 50 ECAA O=C(CCc1ccc2c(c1)OCO2)N[C@@H]1CCOC[C@H]1OCCO 219083847 HNGJLJLDWRNNHO-CZUORRHYSA-N 337.372 0.631 0 50 ECAA NC(=O)c1cc(C(=O)N2CC[C@@H](C(=O)O)C2)nn1-c1ccccc1 261745593 GWGVCDPFSGXWFS-SNVBAGLBSA-N 328.328 0.518 0 50 ECAA Cn1ncc(N2CC[C@H](CNC(=O)CCCn3cccn3)C2)cc1=O 77452968 RJGIJIBHQDLFAA-CQSZACIVSA-N 344.419 0.400 0 50 ECAA CN1C(=O)C(C)(C)c2cc(C(=O)N[C@H]3CCC(=O)NC3=O)ccc21 612694335 VZPFLZJSSQNMDC-NSHDSACASA-N 329.356 0.476 0 50 ECAA CCC(=O)N1CCC(C(=O)NCc2nc(-c3cnccn3)n[nH]2)CC1 426555419 GIQQWNJWDXPONZ-UHFFFAOYSA-N 343.391 0.527 0 50 ECAA Cc1cnn(CCCNC(=O)c2cc3ncc(CCO)cn3n2)c1 426517586 NAVQMGZXIPLGMZ-UHFFFAOYSA-N 328.376 0.589 0 50 ECAA O=C(CCc1ccncc1)N1C[C@@H](CO)C[C@H](CN2CCOCC2)C1 91586025 XJKBKZKISCXHDU-MSOLQXFVSA-N 347.459 0.803 0 50 ECAA CCCc1ncncc1C(=O)N1CCC2(CC1)NC(=O)C[C@@H]2C(=O)O 91808747 CZWQDQLMQPPRSB-GFCCVEGCSA-N 346.387 0.625 0 50 ECAA O=C1CCCCN1CC(=O)N1C[C@@H](CO)C[C@H](CN2CCCC2)C1 91745301 UGHHXGUIMPILRE-CVEARBPZSA-N 337.464 0.552 0 50 ECAA COc1ccc([C@@H](NC(=O)CNC(=O)N(C)C)[C@H]2C[C@@H](O)C2)cn1 244795622 RKDCNHFDPSKGTB-TYNCELHUSA-N 336.392 0.290 0 50 ECAA O=C(C[C@H]1CNCCO1)N(Cc1ccccn1)[C@@H]1CCCNCC1 296340710 YSXMELAWGKJAFP-SJORKVTESA-N 332.448 0.931 0 50 ECAA Cn1cnn(CC(=O)N2CC[C@@H](Oc3cccc(Cl)c3)C2)c1=O 182774380 KEJWQLLPJNASRJ-CYBMUJFWSA-N 336.779 0.915 0 50 ECAA CN(C)C1=NC2(CCN(CC(=O)Nc3ccc(F)cc3)CC2)C(=O)N1 252482353 DDSBPKLUZHCVPS-UHFFFAOYSA-N 347.394 0.646 0 50 ECAA CNc1cc(C)nc(N2C[C@@H](c3cn(C)nn3)[C@@H](CC(=O)O)C2)n1 299787972 ZLNBUACFCJIGKK-WDEREUQCSA-N 331.380 0.650 0 50 ECAA CS(=O)(=O)NCC(=O)N[C@H]1[C@H](Cc2ccccc2)[C@@H]2OCC[C@H]12 1074572193 ZMDYSCKUWNTROL-OCVGTWLNSA-N 338.429 0.298 0 50 ECAA O=C(CN1CCOc2ccccc2C1)N1CCN2C(=O)OC[C@@H]2C1 670438014 XMUYOZFQUSPKLX-AWEZNQCLSA-N 331.372 0.544 0 50 ECAA OC[C@H]1CCCCN1CCNCc1cnc(N2CCOCC2)nc1 952986374 DOJQTIMWFFQVRU-MRXNPFEDSA-N 335.452 0.250 0 50 ECAA O=C1CCN(C(=O)C2CCN(c3cnccn3)CC2)[C@H]2CCCN12 888178325 NFNQSEUHZQOXNA-HNNXBMFYSA-N 329.404 0.874 0 50 ECAA COCCN1C[C@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)O)CC1=O 170581147 SZLQDJJIZLPVMJ-KGLIPLIRSA-N 334.372 0.293 0 50 ECAA CO[C@H]1C[C@H](c2nc(C)no2)N(CC(=O)Nc2cc(C)nn2C)C1 189347165 JAUIKEXWJMTHJC-NWDGAFQWSA-N 334.380 0.820 0 50 ECAA Cc1cccn2cc(CNC(=O)CN3CCCC[C@H](O)C3=O)nc12 644356491 MIASSRBKKZVLQZ-AWEZNQCLSA-N 330.388 0.632 0 50 ECAA CC(=O)N(CC(=O)O)C[C@@H]1CN(C(=O)c2ccsc2)CCO1 681943435 WJSPZECBHMFBEJ-LBPRGKRZSA-N 326.374 0.522 0 50 ECAA COCC(=O)N1CCC(CNC(=O)[C@@H](C)N2CCCCC2)CC1 1506408964 FKGGTMRZWVSVDL-CQSZACIVSA-N 325.453 0.862 0 50 ECAA Cc1nnnn1CCC(=O)N1CCO[C@H](CO)[C@H]1c1ccccc1 1529161868 SFCJFMRILOQLIB-GDBMZVCRSA-N 331.376 0.333 0 50 ECAA COCCn1cnnc1CNc1nccc(N2CCC[C@@H](O)C2)n1 1529101696 MAYWDLHRBATFHK-GFCCVEGCSA-N 333.396 0.288 0 50 ECAA Cc1ncsc1C(=O)N[C@@H]1COC[C@H]1CS(=O)(=O)N(C)C 1704343220 VCVUJNNHFZODHQ-VHSXEESVSA-N 333.435 0.088 0 50 ECAA CC(C)(C(=O)N1C[C@H](C(=O)O)C2(CCOCC2)C1)N1CCOCC1 1800410021 MZAKBBSDSPABHJ-CYBMUJFWSA-N 340.420 0.437 0 50 ECAA COc1ccc(S(=O)(=O)N2C[C@@H]3CCOC[C@]3(C(=O)O)C2)cc1 1857668757 LFGZGWXGUFZTJY-XHDPSFHLSA-N 341.385 0.807 0 50 ECAA CCc1ncc(S(=O)(=O)N2CCN3C(=O)OC[C@@]3(CC)C2)[nH]1 1857678726 QEMJSPZMPNJIEM-CYBMUJFWSA-N 328.394 0.577 0 50 ECAA O=C(O)[C@H]1CC[C@@H](C(=O)N2CCN(c3ccc(F)cn3)CC2)CN1 657213401 NFXUXYVOEWUWJE-DGCLKSJQSA-N 336.367 0.322 0 50 ECAA O=C(NCC(=O)N1CCC[C@@H]1C(=O)NC1CC1)c1cccc(F)c1 265417951 OTCKYYMRRBNQNI-CQSZACIVSA-N 333.363 0.825 0 50 ECAA CN(C)S(=O)(=O)c1ccc(NC(=O)[C@@H]2CC[C@H]2C(=O)O)cc1 397144733 DCNHGSRHUUZNOY-VXGBXAGGSA-N 326.374 0.986 0 50 ECAA CN1C[C@H]2COC[C@@H]1CN(S(=O)(=O)c1cc(F)ccc1F)C2 1704308400 QGZVMIKGPFDPSC-PWSUYJOCSA-N 332.372 0.916 0 50 ECAA CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCNC[C@H](O)C1 1875276677 OIBNBGXKGAQMPT-YOEHRIQHSA-N 344.415 0.008 0 50 ECAA COC(=O)/C=C/CCNC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1cnn(C)c1C 1875314439 XVKJDWZWXNAZSG-LEOCGOGGSA-N 348.403 0.483 0 50 ECAA Cn1nc2ccc(NC(=O)[C@@H]3CCc4nn(C)c(=O)n4C3)cc2n1 2100547401 IYRPKPXRLNFLAM-SECBINFHSA-N 327.348 0.065 0 50 ECAA N[C@H]1CCc2cc(C(=O)NC3CC(CS(N)(=O)=O)C3)ccc2C1 2325849226 JAOBEWBPIPBDOA-CUMGRINNSA-N 337.445 0.300 0 50 ECAA Cc1cc(C)c(C(=O)N2CCC[C@]23CCCN(CCO)C3=O)c(O)n1 2356164072 CXKBGGBYSGLPLO-SFHVURJKSA-N 347.415 0.994 0 50 ECAA CCn1cc(C(=O)N2CCN(C[C@H]3CN(C(C)C)CCO3)CC2)cn1 114330881 HZQFUGKHWLMMSN-KRWDZBQOSA-N 349.479 0.770 0 50 ECAA CCN(Cc1ccc2c(c1)OCCCO2)[C@H]1CS(=O)(=O)C[C@@H]1O 67642417 STPHMKREWKFCGR-KBPBESRZSA-N 341.429 0.828 0 50 ECAA CC(=O)N1CCN(C(=O)c2ccc3c(c2)C(=O)N(C2CC2)C3=O)CC1 20714968 YOFDYGPRZMSAHV-UHFFFAOYSA-N 341.367 0.749 0 50 ECAA Cc1nc(C2CCNCC2)cc(N2C[C@H](O)[C@@H](N3CCCC3)C2)n1 67955528 YHWIYQIZNYAYPS-IRXDYDNUSA-N 331.464 0.897 0 50 ECAA CCCn1nc(C(=O)O)c2c1CC[C@H](NCCN1CCOCC1)C2 67894958 YIELYAJOZGKPGY-ZDUSSCGKSA-N 336.436 0.770 0 50 ECAA CC(C)NC(=O)[C@@H]1C[C@H](N)CN1C(=O)c1ccc2sc(N)nc2c1 67851479 ZFBIOAYGQZGSGI-JQWIXIFHSA-N 347.444 0.945 0 50 ECAA C[C@H]1C[C@@H](NC(=O)NCC2(OCCO)CCOCC2)CN1C1CC1 253394456 DZLPVCNTXGZPTA-UONOGXRCSA-N 341.452 0.469 0 50 ECAA COCCS(=O)(=O)c1ccc(C(=O)N2C[C@H](C)N[C@H](C)C2)cc1 153551314 GCHLQHSDHALCNS-BETUJISGSA-N 340.445 0.929 0 50 ECAA COc1ncccc1CN1CCC(N[C@@H]2CCS(=O)(=O)C2)CC1 365366259 REKWSRRAJLAJDN-OAHLLOKOSA-N 339.461 0.831 0 50 ECAA Cc1cc(C)n(CC(=O)N[C@H](CC(C)C)c2ncnn2C)c(=O)n1 219930864 QPNXOCNAEQTORZ-CYBMUJFWSA-N 332.408 0.892 0 50 ECAA Cc1c(C(=O)N(C)[C@@H]2CCN(C)C2=O)cnn1CC1CCOCC1 372420415 HDGRRYBVRDTKCC-OAHLLOKOSA-N 334.420 0.921 0 50 ECAA CC(C)(C)n1ncnc1CN1CCN([C@H]2CCCCNC2=O)CC1 374868294 KBUDGONLZGPWNW-AWEZNQCLSA-N 334.468 0.819 0 50 ECAA CCn1cc(S(=O)(=O)N2CCCC[C@@H]2CCNC(C)=O)cn1 77421757 VDDYEHBZPZKTSI-CYBMUJFWSA-N 328.438 0.972 0 50 ECAA COc1ccc(C(=O)N[C@@H]2CCOC[C@H]2OCCO)c(F)c1F 223446671 GSLVZQNJXIEPTO-ZYHUDNBSSA-N 331.315 0.870 0 50 ECAA Cc1ccc(C)c(C(=O)N[C@@H]2CCN(CC(=O)N(C)C)C[C@H]2O)c1 426527140 ZKRJMQVIIINWRA-HZPDHXFCSA-N 333.432 0.557 0 50 ECAA COCCN1CCC[C@]2(CCN(c3cc(OC)nc(N)n3)C2)C1=O 91745183 YSXODPCNSOFNKN-MRXNPFEDSA-N 335.408 0.533 0 50 ECAA 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1875322667 ZZIIZSXMFIIWFY-AWEZNQCLSA-N 329.356 0.949 0 50 ECAA CN(C)[C@@H]1CN(C(=O)C(C)(C)c2cnn(C)c2)C[C@@H]1n1ccnn1 888094325 KGDDALWJUVSXCA-KGLIPLIRSA-N 331.424 0.303 0 50 ECAA Cc1ccc(CNC(=O)Cn2cnc(C(=O)NCCO)c2)cc1F 1775993634 SXNQBWWFPMDLQO-UHFFFAOYSA-N 334.351 0.369 0 50 ECAA CC1(C)CNC[C@H]1NC(=O)c1cc2n(n1)CC1(CCNCC1)OC2 1775962105 SPKWNUQYGPXFEX-CQSZACIVSA-N 333.436 0.263 0 50 ECAA CC(=O)N[C@H]1CO[C@@H]2[C@@H](NC(=O)c3cn4cc(C)ccc4n3)CO[C@H]12 2325865571 HYQOKCJRUDGBQM-WMHQRMGPSA-N 344.371 0.043 0 50 ECAA COCCN(Cc1cnn(C)c1)C(=O)[C@H](CCSC)NC(C)=O 55073031 VCKUBDFDHYZLNB-AWEZNQCLSA-N 342.465 0.653 0 50 ECAA CN(Cc1n[nH]c2c1CCCC2)c1nc2c(c(=O)[nH]1)CCNCC2 67588676 HKFJQWYFCVJWNJ-UHFFFAOYSA-N 328.420 0.696 0 50 ECAA C[C@@H]1CCC[C@@](CNC(=O)N[C@H]2CCS(=O)(=O)C2)(N(C)C)C1 249612270 PLIYPDVGASXNML-VNHYZAJKSA-N 331.482 0.983 0 50 ECAA C[C@]12CN(C(=O)N[C@H]3CCc4n[nH]cc4C3)C[C@H]1CS(=O)(=O)C2 1364577840 NLVMTPQYJALZQJ-SLEUVZQESA-N 338.433 0.343 0 50 ECAA 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337.405 0.679 0 50 ECAA COc1ccc(-c2noc(CSCCS(C)(=O)=O)n2)nn1 1875327631 CGXKGHYWNBQBOH-UHFFFAOYSA-N 330.391 0.813 0 50 ECAA CN(C)c1ncc(CNC(=O)N2CCC3(CC2)CNC(=O)C3)n1C 1771618378 SNLDXBFBOGBAFA-UHFFFAOYSA-N 334.424 0.298 0 50 ECAA C[C@@H]1CN(S(=O)(=O)CCNc2cccc(C(=O)O)n2)C[C@@H](C)O1 1776002674 JPVOLKWSGJCJFC-GHMZBOCLSA-N 343.405 0.631 0 50 ECAA Cc1nn2c(c1C(=O)NCCN1CCCS1(=O)=O)CCCC2 2325798426 AGMCUOCUQHDMQH-UHFFFAOYSA-N 326.422 0.293 0 50 ECAA O=C(N[C@]1(c2ccccc2F)C[C@H](O)C1)[C@@H]1CC[C@H](C(=O)O)NC1 2325800599 WGLBAFABXKJSOB-YNGNAFIFSA-N 336.363 0.745 0 50 ECAA COCCN1CCC[C@]2(CCCN2C(=O)CCCn2cncn2)C1=O 2356134324 JEZAJTDWBNDMOS-KRWDZBQOSA-N 349.435 0.688 0 50 ECAA COCCN1CCC[C@]2(CCCN2C(=O)c2cccn(C)c2=O)C1=O 2356153051 OPECYOKZQUQEPZ-SFHVURJKSA-N 347.415 0.629 0 50 ECAA CSCC[C@H](NC(=O)c1ccco1)C(=O)NC[C@@H]1COCCO1 342058707 FYPOJNXZOZIIIT-NEPJUHHUSA-N 342.417 0.663 0 50 ECAA Cn1cc(CC(=O)N2CCN(C(=O)c3cccc(O)c3)CC2)cn1 171310081 OGSUQZWANPPAIK-UHFFFAOYSA-N 328.372 0.653 0 50 ECAA CCCC(=O)N1CCC(N2CC[C@@H](CNS(C)(=O)=O)C2)CC1 67982606 RPIVTMZADMDETJ-ZDUSSCGKSA-N 331.482 0.649 0 50 ECAA CNC(=O)CN(C)C(=O)c1cc(COc2ccccc2OC)[nH]n1 67675663 HWBHMTBUKDHVSW-UHFFFAOYSA-N 332.360 0.815 0 50 ECAA Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N[C@@H]1[C@H]2COC[C@H]21 330054798 SPCYLBVSQCDJCX-PJXYFTJBSA-N 331.415 0.322 0 50 ECAA Cc1nc(CN2CCN(C(=O)[C@H]3CC(=O)N(C(C)C)C3)CC2)no1 77542007 CYSRNVXFQLYDTR-ZDUSSCGKSA-N 335.408 0.279 0 50 ECAA CC(C)CN1C(=O)CC[C@H]2CN(C(=O)CNS(C)(=O)=O)CC[C@H]21 72407623 LMJAJHUYNZNVAP-QWHCGFSZSA-N 345.465 0.031 0 50 ECAA NC(=O)NCC(=O)N1CCC[C@@H](Nc2ccc3c(c2)OCCO3)C1 72171354 XKKOMCMOHTZNFG-GFCCVEGCSA-N 334.376 0.529 0 50 ECAA CNC(=O)c1ccc(N[C@@H]2CCN(C(=O)Cc3ccccc3)C2)nn1 367437071 UVCUYRXMYOVFJH-CQSZACIVSA-N 339.399 1.092 0 50 ECAA C[C@@H]1CCCC[C@@H]1OCC(=O)N1Cc2nnc(O)n2C[C@@H]1C(=O)O 333354345 BSJSRDAAZRPYRV-MXWKQRLJSA-N 338.364 0.374 0 50 ECAA CC(C)(C)c1n[nH]cc1CN[C@H]1CC(=O)N(CCN2CCOCC2)C1 172697305 KYJQZXGAJQKSTD-HNNXBMFYSA-N 349.479 0.730 0 50 ECAA Cc1ccc2nc(COCC(=O)N3CCNC(=O)[C@@H]3CCO)[nH]c2c1 97636435 AHXXMXJLGGRUAD-AWEZNQCLSA-N 346.387 0.097 0 50 ECAA O=C(C1CCC1)N1CCCN(C(=O)[C@@H]2CCCCn3nnnc32)CC1 97495224 NXHZLAFDUMBLGM-CQSZACIVSA-N 346.435 0.802 0 50 ECAA CCNC(=O)CN1CCN(C(=O)CCn2cc(Cl)cn2)CC1 91594809 VKMQNKYFSIUTCJ-UHFFFAOYSA-N 327.816 0.207 0 50 ECAA Cc1cc(N[C@H]2CN(CC(=O)N3CCOCC3)C[C@@H]2C2CC2)ncn1 92020778 OOGFHRKOHOPFSV-CVEARBPZSA-N 345.447 0.766 0 50 ECAA CN(C)CCN(CC(=O)O)C(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 299749240 JOMZIVIEFRJKSU-HNNXBMFYSA-N 347.415 0.510 0 50 ECAA COC(=O)c1cn(CCc2noc(C3CC3)n2)cc2c(=O)[nH]nc1-2 263588391 SVMVQFCYRWSULZ-UHFFFAOYSA-N 329.316 0.966 0 50 ECAA O=C(CCCn1cnnn1)N[C@H]1CCCN(Cc2cccnc2)C1 534645920 LUVCBKZRWOWMTD-HNNXBMFYSA-N 329.408 0.629 0 50 ECAA O=C(NCc1nc(-c2cnccn2)n[nH]1)[C@@H]1CCCN1C(=O)C1CC1 299755958 GPJBEIJKVSLJKF-LBPRGKRZSA-N 341.375 0.279 0 50 ECAA O=c1ccc(-c2ccccc2)nn1CCNS(=O)(=O)N1CCCC1 828406966 IURYZXAOSLYNDV-UHFFFAOYSA-N 348.428 0.841 0 50 ECAA Nc1nc(CCCNS(=O)(=O)N2CCC[C@H](C(=O)O)C2)cs1 670448454 VZMGUTJOJBIYFF-VIFPVBQESA-N 348.450 0.289 0 50 ECAA CC(C)[C@@H](C(=O)NCc1nc(O)n[nH]1)n1cnc2ccccc2c1=O 670466115 BYKHSCLDXBWZQN-ZDUSSCGKSA-N 342.359 0.734 0 50 ECAA CN(C)[C@@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)c1nc2ccccc2n(C)c1=O 1565506610 GFPBCZJWSFJBOS-UXVLEFJLSA-N 342.399 0.381 0 50 ECAA C[C@H](C[S@@](C)=O)N(C)S(=O)(=O)c1ccc2c(c1)oc(=O)n2C 185765363 BRELLJLHYBJTPT-AOUSDQRYSA-N 346.430 0.519 0 50 ECAA O=C1CC[C@@H](COC(=O)[C@@H]2CSCN2C(=O)C2CCCC2)N1 170622791 MKQZAGWWZDTQAE-RYUDHWBXSA-N 326.418 0.900 0 50 ECAA O=C(c1cccc2nccn12)N1CCC[C@](O)(Cn2ccnn2)C1 794093412 SSEUVNOVHBEZPY-MRXNPFEDSA-N 326.360 0.593 0 50 ECAA Cc1nnc(N[C@@H]2C[C@H]3C(=O)N(C)CC(=O)N3C2)c2ccccc12 1506418585 SEGIEGSDDSGVLT-RISCZKNCSA-N 325.372 0.792 0 50 ECAA C[C@@H](Cn1cncn1)C(=O)N1CCCN(CCn2ccnc2)CC1 1529185127 KJGHCXNPQDOJHB-HNNXBMFYSA-N 331.424 0.345 0 50 ECAA CCOc1ccc(CN2CCCN(C(=O)[C@@H]3CCC(=O)N3)CC2)cn1 1529138656 ICCCOLWCLHTRSN-HNNXBMFYSA-N 346.431 0.793 0 50 ECAA Cc1ccc(F)c(CN[C@H]2C[C@H]3C(=O)N[C@H]([C@H](C)O)C(=O)N3C2)c1 14750120 NAWYYHYLBZTTFL-HQRZJTNHSA-N 335.379 0.072 0 50 ECAA COc1ccc(NC(=O)c2nnn3cc(C)[nH]c(=O)c23)cc1OC 169769013 WILSTUYZDLMPNH-UHFFFAOYSA-N 329.316 0.996 0 50 ECAA O=C1N[C@@H]2COC[C@H]1CN(S(=O)(=O)Cc1cccc(Cl)c1)C2 1875242867 FUSYFZCLLOKQID-YPMHNXCESA-N 344.820 0.617 0 50 ECAA COc1ccc(S(=O)(=O)N2C[C@H]3COC[C@@H]2CN(C)C3)cc1 1875250588 OPCREMGZUDMVMS-STQMWFEESA-N 326.418 0.646 0 50 ECAA CN(C)Cc1cc(CNC(=O)[C@@H]2CC[C@@H](C(=O)O)NC2)ccc1F 657221114 UTWDOCUEWGXZQS-DOMZBBRYSA-N 337.395 0.956 0 50 ECAA Cc1nc(O)cc(C(=O)N2C[C@H]3[C@H](NC(=O)CC4CC(F)C4)[C@H]3C2)n1 1875332036 KSDGQLZOJKFCEZ-GLZDBZJRSA-N 348.378 0.815 0 50 ECAA Cc1cnc(N2CCOCC2)nc1C(=O)N[C@@H]1CC[C@H]2C[C@@]21C(=O)O 1875361170 SNMNOJDJDAJOTG-XWCIJXRUSA-N 346.387 0.605 0 50 ECAA CNC(=O)C[C@@H]1CN(C(=O)NCc2c[nH]c3ccc(F)cc23)C[C@H]1O 1875402788 LOUFIXDWAOKDSJ-MEBBXXQBSA-N 348.378 0.945 0 50 ECAA COC[C@@](C)(O)c1cn(Cc2nnc(-c3ccccc3)n2C)nn1 881360351 LXSSLZWRKYAGNO-MRXNPFEDSA-N 328.376 0.976 0 50 ECAA Cc1cc(C(=O)NC[C@H]2CCC(=O)N(C)[C@@H]2c2nccn2C)cnn1 886026655 BPHNYPAHHHDNLT-DOMZBBRYSA-N 342.403 0.858 0 50 ECAA COCCN1C(=O)N[C@@H]2CN(C(=O)c3c[nH]nc3C3CC3)CC[C@@H]21 1775958958 MWDXNVRJSWOORH-OLZOCXBDSA-N 333.392 0.542 0 50 ECAA CN1CC[C@H](O)[C@H](C(=O)NCc2ccccc2Cn2cccn2)C1 2100541066 UJMOAQJWTSDEHC-SJORKVTESA-N 328.416 0.860 0 50 ECAA Cc1nc(C(=O)N2C[C@@H]3COCC[C@]3(N)C2)nn1-c1ccccc1 2325809097 GASURIZVKOORCK-DYVFJYSZSA-N 327.388 0.766 0 50 ECAA Cc1nnnn1CC(=O)N1CC[C@H](C)[C@@H](CNC(=O)C2CC(C)C2)C1 2325825774 BACYNLDWFUFHAH-SROGKVSYSA-N 348.451 0.628 0 50 ECAA O=C(O)Cc1ccc2c(c1)N(C(=O)Cc1nc3ncccn3n1)CC2 2325848212 BTLSOFZVAUDGKL-UHFFFAOYSA-N 337.339 0.883 0 50 ECAA CN(CC(=O)Nn1cnnc1)S(=O)(=O)c1ccc2ccccc2c1 613805 IRIKLWXOEHLCLK-UHFFFAOYSA-N 345.384 0.822 0 50 ECAA CN1CCc2ccc(-c3nc(CC(N)=O)nn3-c3cnn(C)c3)nc21 2356148412 UZMAAPKYZRIWOM-UHFFFAOYSA-N 338.375 0.083 0 50 ECAA Nc1nc(CNC(=O)[C@@]23CNC[C@@H]2CN(C2CCCC2)C3)cs1 65428926 WGMILKGORLZDKH-BDJLRTHQSA-N 335.477 0.806 0 50 ECAA COC(=O)[C@@H]1C[C@H](NC(=O)c2cc(=O)[nH]c3ccc(C)cc23)CN1C 65394934 BFNUWDAUICYEIP-NHYWBVRUSA-N 343.383 0.812 0 50 ECAA Cc1cc(C)c(C(=O)NCc2nc(-c3cnccn3)n[nH]2)c(=O)[nH]1 215199644 XKSOMALDRGVBLP-UHFFFAOYSA-N 325.332 0.497 0 50 ECAA NS(=O)(=O)c1ccc(CCNC(=O)c2ccc(C(=O)O)cn2)cc1 324555531 WWAMGNBAHNVEPV-UHFFFAOYSA-N 349.368 0.400 0 50 ECAA NC(=O)c1noc([C@@H]2CCCN2C[C@H](O)COc2ccccc2)n1 328653390 WVHQLKPNGCWFAN-AAEUAGOBSA-N 332.360 0.745 0 50 ECAA C[C@H](O)CN1CCC(CN(C)C(=O)[C@H](C)N2CCN(C)CC2)CC1 330630610 DEMYRPRSWWAGBR-HOTGVXAUSA-N 340.512 0.174 0 50 ECAA CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N(CC)Cc1cn(C)nn1 330785970 MLZQXXXQANHZLA-CYBMUJFWSA-N 343.453 0.368 0 50 ECAA O=C(c1cncc(N2CCO[C@@H](C(F)(F)F)C2)n1)N1CCOCC1 71775617 COWZXMDEFNOUCS-LLVKDONJSA-N 346.309 0.717 0 50 ECAA CC(=O)N1CCOC[C@@H]1C(=O)NCc1nccn1-c1ccccc1 375782395 JAIVAFBFJQVEOO-OAHLLOKOSA-N 328.372 0.736 0 50 ECAA NCCn1cc(C(=O)NC[C@H](O)c2ccccc2C(F)(F)F)nn1 77377654 BIYRGSWTWABETM-LBPRGKRZSA-N 343.309 0.719 0 50 ECAA CO[C@H]1C[C@H](C(=O)n2cccc/c2=N\C(C)C)N(S(C)(=O)=O)C1 369076715 LIKDPEFOMWWFLM-UCYUTRIASA-N 341.433 0.486 0 50 ECAA NC(=O)[C@]1(O)CCCN(C(=O)c2ccc(Br)cn2)C1 284813737 BLGHKAIKZMUPEK-LBPRGKRZSA-N 328.166 0.297 0 50 ECAA Cc1ncsc1CCC(=O)N1CCC2(CC1)N=C(N(C)C)NC2=O 82120642 ZAHPBCFNMKWZGX-UHFFFAOYSA-N 349.460 0.793 0 50 ECAA O=C([C@@H]1CC(=O)N(c2cn[nH]c2)C1)N1CC[C@](O)(C(F)(F)F)C1 177727038 XRDJJTXFTPBJOP-PRHODGIISA-N 332.282 0.288 0 50 ECAA C[C@H](CNC(=O)Cn1nnnc1CN1CCOCC1)c1ccccc1 20599094 YTTBLPMVYBGOKB-CQSZACIVSA-N 344.419 0.425 0 50 ECAA COCc1n[nH]c([C@H]2CCCCN2Cc2cc(=O)n(C)c(=O)n2C)n1 288965926 BFEFFVKRXUKUFH-GFCCVEGCSA-N 348.407 0.076 0 50 ECAA CN(C)CCn1ccnc1C1CCN(C(=O)CN2CCCC2=O)CC1 92004186 ZVNBCRLIMAIWCS-UHFFFAOYSA-N 347.463 0.773 0 50 ECAA Cn1ccnc1CNC(=O)N1CCCN(C(=O)[C@H]2CCCO2)CC1 426533784 LIDADXCYNQIJFH-CYBMUJFWSA-N 335.408 0.343 0 50 ECAA Cc1nc(N(C)C)ncc1C(=O)NCCS(=O)(=O)N1CCCC1 97394252 VELMWJIXEKXMSC-UHFFFAOYSA-N 341.437 0.006 0 50 ECAA O=C(NCCc1nc(O)cc(=O)[nH]1)[C@H]1CCOc2ccccc2C1 96152615 IDBGYSNWUCKJGM-LBPRGKRZSA-N 329.356 0.776 0 50 ECAA CCc1cc(C(=O)NCC[C@H]2CCC(=O)N2CCN(C)C)cc(=O)[nH]1 97547388 DRSDYRZYEGJBQV-OAHLLOKOSA-N 348.447 0.610 0 50 ECAA C[C@H](O)CN1CC2(CCC1=O)CCN(C(=O)c1ccnn1C)CC2 91365075 CVESOXBAFFFMFP-ZDUSSCGKSA-N 334.420 0.646 0 50 ECAA CNS(=O)(=O)c1ccc(CN2CCOC[C@@H]2CC(=O)O)cc1 97675213 NBVZMNGGTUIOBN-LBPRGKRZSA-N 328.390 0.270 0 50 ECAA CCO[C@H]1CN(C)C[C@@H]1NC(=O)c1cnc(-c2cccnc2)nc1O 96166505 ABUCMWPGRBBALB-KBPBESRZSA-N 343.387 0.693 0 50 ECAA O=C(CO)N1CCC2(CCC(=O)N(CCc3cccnc3)C2)CC1 91820061 WECKCMVPWCVTRE-UHFFFAOYSA-N 331.416 0.848 0 50 ECAA COc1ccccc1CNC(=O)CN1CCN(c2nc[nH]n2)CC1 244678511 IEXUQMQXKFYQLF-UHFFFAOYSA-N 330.392 0.252 0 50 ECAA CNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H]2Cn2ccnn2)cc1 299742872 JAJUVNJFAFTMDM-ZDUSSCGKSA-N 349.416 0.491 0 50 ECAA O=C(NC1CC1)[C@H](O)C1CCN(C[C@@H](O)Cc2ccccc2)CC1 299739560 QATLXEGZSVDNLC-ZWKOTPCHSA-N 332.444 0.942 0 50 ECAA CN(C)CC(=O)Nc1ccc(NC(=O)[C@@H]2CCC(=O)N(C)C2)cc1 818793155 FUCIFNGVYMXUEP-GFCCVEGCSA-N 332.404 0.994 0 50 ECAA O=C(c1cccc(-n2cnnc2)c1)N1CC[C@@H]2NCCC[C@@]2(CO)C1 1565508328 ADSQGXHKNSYWOZ-WMZOPIPTSA-N 341.415 0.844 0 50 ECAA COc1ccc(N2C[C@H](C(=O)N3CCOC[C@H]3C(=O)O)CC2=O)cc1 268980983 NFOQNHRWRIJTMN-RISCZKNCSA-N 348.355 0.360 0 50 ECAA O=C(O)COc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1F 273795870 WEHQNUYRHLTMDG-VIFPVBQESA-N 333.337 0.746 0 50 ECAA O=C(c1nnc2ccccc2c1O)N1CCC[C@@H](N2CCNC2=O)C1 732277536 JVOZMNWDDGYQMZ-LLVKDONJSA-N 341.371 0.965 0 50 ECAA Cn1cnnc1N1CCN(C(=O)c2c[nH]nc2[C@@H]2CCCCN2)CC1 685941259 BINQYBAAAOARHL-ZDUSSCGKSA-N 344.423 0.315 0 50 ECAA C=CC(=O)Nc1cccc(C(=O)N2CCN(C(C)(C)C(N)=O)CC2)c1 866196822 ARRSXOHZUFMWFH-UHFFFAOYSA-N 344.415 0.833 0 50 ECAA O=C1CO[C@]2(CCN(c3cc(C(=O)N4CCCCC4)ccn3)C2)CN1 1772815661 XKIRCEFLBRIZKS-GOSISDBHSA-N 344.415 0.803 0 50 ECAA Cc1cn2nc(N[C@@H]3CCN(C(=O)[C@H]4CCCC(=O)N4)C3)ccc2n1 408514198 FRGHYMQMBGAJCX-CHWSQXEVSA-N 342.403 0.719 0 50 ECAA CCn1c([C@@H](C)NC(=O)CN2CCNCC2=O)nc2ccccc21 237216071 JQLYABIJJSJTPM-GFCCVEGCSA-N 329.404 0.665 0 50 ECAA CS(=O)(=O)N1CCC(NC(=O)c2ccc(C(=O)O)cc2)CC1 350077695 KPRCRVUHSMSUMO-UHFFFAOYSA-N 326.374 0.539 0 50 ECAA CC(C)COc1ncccc1C(=O)N1CC[C@](O)(Cn2ccnn2)C1 671606681 ORNSTGFJJRMKBJ-QGZVFWFLSA-N 345.403 0.985 0 50 ECAA CN1CCN(CCNC(=O)[C@@H]2CCc3cnn(C)c3C2)CC1(C)C 367021399 DRXZBVKYQNUFEL-CQSZACIVSA-N 333.480 0.667 0 50 ECAA O=C(c1cccc(CO)c1)N1CCC[C@@H](N2CCCS2(=O)=O)C1 368298725 IRVRMPRQBHKVFU-OAHLLOKOSA-N 338.429 0.819 0 50 ECAA Cn1cnn(CC(=O)N2CCC(c3nc4c(s3)CCC4)CC2)c1=O 834527705 GWYNZZWFTPUYKX-UHFFFAOYSA-N 347.444 0.933 0 50 ECAA CO[C@@H]1C[C@H](CNC(=O)c2ccc(C)n2C)N(c2cc(N)ncn2)C1 952887037 IZVMQFFJTQLJRF-CHWSQXEVSA-N 344.419 0.729 0 50 ECAA COc1ccc(F)cc1CN1CCN([C@@]2(C(N)=O)CCOC2)CC1 886080494 ZUSQOBCWJPDTHK-KRWDZBQOSA-N 337.395 0.596 0 50 ECAA O=C(Cc1ccccc1F)N1CCN([C@]2(C(=O)O)CCOC2)CC1 886097257 XLIPDFJOQRZAPG-QGZVFWFLSA-N 336.363 0.756 0 50 ECAA CCCn1cc(C(=O)N2CCN([C@]3(C(=O)O)CCOC3)CC2)cn1 886077836 PZLNQWADYHPJII-MRXNPFEDSA-N 336.392 0.295 0 50 ECAA O=C(c1cn([C@@H]2COC[C@H]2O)nn1)N1CCOc2cccc(F)c2C1 888093633 MHDCTPZNQQHAFQ-ZIAGYGMSSA-N 348.334 0.384 0 50 ECAA Cc1noc(C)c1CCC(=O)N[C@H]1COC[C@H]1Oc1cnn(C)c1 888094513 XUBDZNHAAMEMLB-LSDHHAIUSA-N 334.376 0.920 0 50 ECAA CN1C(=O)CN=C1NC(=O)[C@H]1CCCN1c1ncnc2sccc12 898777146 HPYWIMFOQCROQA-SNVBAGLBSA-N 344.400 0.604 0 50 ECAA C=CC(=O)N(C)CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCC 862042554 UWXWXFJADLHKMX-OAHLLOKOSA-N 329.400 0.720 0 50 ECAA CCCn1c(=O)c2c(nc3n2CC(C)=NN3CCOCC)n(C)c1=O 10386960 HJMBHVWVMLEFDM-UHFFFAOYSA-N 348.407 0.539 0 50 ECAA Cn1nccc1[C@@H]1OCC[C@H]1CNS(=O)(=O)CC1CCOCC1 225547726 FNCHFRVTGAUTOJ-DZGCQCFKSA-N 343.449 0.844 0 50 ECAA C[C@H]1CC[C@@H](C(=O)NCCN2c3ccccc3NS2(=O)=O)O1 225577810 QDZIBYCWXDDWCA-GWCFXTLKSA-N 325.390 0.847 0 50 ECAA C[C@H]1CN(Cc2ccccc2)C[C@H]1NCC1CN(S(C)(=O)=O)C1 249430983 GZBMFWTUGIWVQO-WMLDXEAASA-N 337.489 0.988 0 50 ECAA Cc1cccc(N2C[C@H](C(=O)NCCN3CCOCC3)CC2=O)c1 20019625 DQVAPYNTUOIKEN-OAHLLOKOSA-N 331.416 0.796 0 50 ECAA CC(=O)N1CCN(CC(C)(C)NS(=O)(=O)c2ccccc2)CC1 21539855 WIVRKELQSOGMBA-UHFFFAOYSA-N 339.461 0.908 0 50 ECAA Cn1cnn(-c2ccc(NC(=O)N3CCC[C@H](C(N)=O)C3)cc2)c1=O 253415788 OTKINGQLCKPTGU-NSHDSACASA-N 344.375 0.300 0 50 ECAA CCn1c(N)nc2cc(C(=O)NCc3ccc(C(=O)NC)o3)cnc21 77357540 LPLADTPIGMUXKN-UHFFFAOYSA-N 342.359 0.916 0 50 ECAA CC(C)c1nnc(N2CC[C@@H](NC(=O)c3cnccn3)[C@H](O)C2)s1 77425320 SYATVLKVNHQPQN-ZYHUDNBSSA-N 348.432 0.821 0 50 ECAA COCCN(Cc1ccnn1C)c1cc(N2CCC[C@H]2CO)ncn1 432164064 CVRBMZJPQDHXDQ-HNNXBMFYSA-N 346.435 0.824 0 50 ECAA CCN1CCN(C[C@@H](C)CNC(=O)c2nc(C)c(C)[nH]c2=O)CC1 155875665 VBUAZOXKEFIUCC-LBPRGKRZSA-N 335.452 0.390 0 50 ECAA O=C(COCc1ccccc1)N1CCOC[C@@](O)(CN2CCCC2)C1 77378877 FKESDKGTPDIUQQ-LJQANCHMSA-N 348.443 0.889 0 50 ECAA O=c1ccc(C(F)(F)F)nn1Cc1nnnn1CC1CCOCC1 333062773 SSVOXNKGDFHGAO-UHFFFAOYSA-N 344.297 0.724 0 50 ECAA CCNC(=O)CN1CCCN(C(=O)[C@@H]2Cc3c(C)cccc3O2)CC1 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327.384 0.892 0 50 ECAA O=C(NCC[C@@]1(O)CCCOC1)c1cccc(Cn2cncn2)c1 628009485 RJFGOUHHZXJSTC-KRWDZBQOSA-N 330.388 0.988 0 50 ECAA C[C@H](NC(=O)CCNS(C)(=O)=O)c1nc(-c2cccnc2)no1 299799107 XGDNTTFXVIBBLK-VIFPVBQESA-N 339.377 0.248 0 50 ECAA CCn1ncc(S(=O)(=O)N2CC[C@]3(OC)CC[C@@H](O)C[C@H]23)c1C 299771713 VUPNSRWNJKZXEQ-VHDGCEQUSA-N 343.449 0.904 0 50 ECAA CN(Cc1nc2c(s1)CCCC2)C(=O)[C@@H]1CCC(=O)NC(=O)N1 299795450 OMHYXHAFLSRFSO-JTQLQIEISA-N 336.417 0.969 0 50 ECAA CCOCCS(=O)(=O)NCC(=O)N1CCN(C)c2ccccc21 268226172 MRQZCKVMBDKYFX-UHFFFAOYSA-N 341.433 0.425 0 50 ECAA Cc1ccsc1[C@H]1CCN(C(=O)Cn2nc(O)ccc2=O)C[C@@H]1O 1565528369 ZCFLDLKHHUKSMC-RYUDHWBXSA-N 349.412 0.696 0 50 ECAA Nc1cccc(S(=O)(=O)N2CCC(N3CCCNC3=O)CC2)c1 274344237 BWXSBUTVDAPASM-UHFFFAOYSA-N 338.433 0.837 0 50 ECAA CNC(=O)c1ccn([C@@H]2CCCN(CC(=O)Nc3nncs3)C2)n1 275503761 AQTCQMZOJSBVBE-SNVBAGLBSA-N 349.420 0.370 0 50 ECAA O=C(NCCc1nc(=O)o[nH]1)[C@@H]1CCCN(Cc2cccnc2)C1 684064021 MYLNRTCTONTVHQ-CYBMUJFWSA-N 331.376 0.329 0 50 ECAA CC1(C)[C@H](CNS(=O)(=O)N2CCC(C(=O)O)CC2)C1(F)F 663425728 JPJAFWHPIAXEJL-VIFPVBQESA-N 326.365 0.909 0 50 ECAA Cc1ncnc(C)c1C(=O)N1CCCN(CCN2CCOCC2)CC1 1529172743 HMXYBALYFOAWKG-UHFFFAOYSA-N 347.463 0.574 0 50 ECAA COc1ccnc(C(=O)N2CCC3(CC2)OCC[C@@](C)(O)[C@@H]3O)c1 1704343497 ICVXSVZFOUOJPF-JKSUJKDBSA-N 336.388 0.597 0 50 ECAA O=C(O)c1n[nH]cc1CN1C[C@@H]2COC[C@]2(C(=O)N2CCCCC2)C1 1857685743 ROBKTUUJWMUCCL-CXAGYDPISA-N 348.403 0.569 0 50 ECAA Cn1ccnc(NC[C@@H]2CN(Cc3ccccc3F)CCO2)c1=O 408514196 AYXBQFONMDTSCO-CQSZACIVSA-N 332.379 1.232 0 50 ECAA CNC(=O)c1cc(Cl)c(C)c(S(=O)(=O)NCCC(=O)O)c1 414177309 IGLJIEGNZLMRTB-UHFFFAOYSA-N 334.781 0.761 0 50 ECAA O[C@@]1(Cn2ccnn2)CCN(c2cc(N3CCCCC3)ncn2)C1 671467176 UCQWFMQHDNJPQZ-INIZCTEOSA-N 329.408 0.700 0 50 ECAA CCc1onc(C)c1C(=O)N1CCN([C@H]2CCCCNC2=O)CC1 364384711 XVFLFIVOQRQNSG-ZDUSSCGKSA-N 334.420 0.972 0 50 ECAA CN1C(=O)[C@H]2COC[C@@H]1CN(CCn1c(=O)oc3ccccc31)C2 1704331917 NSNAZZZSKUNFPF-OLZOCXBDSA-N 331.372 0.384 0 50 ECAA 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Cc1ccn(CCC(=O)N2CCC[C@@]23CCCN(CCO)C3=O)n1 2356149522 FSLBWTBKFXJNCI-QGZVFWFLSA-N 334.420 0.558 0 50 ECAA CCCn1c(C)cn2c3c(=O)n(CC(=O)OCC)c(=O)n(C)c3nc12 4250976 PKALHVKTKDJZOB-UHFFFAOYSA-N 347.375 0.431 0 50 ECAA CCOC(=O)c1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@@]2(CO)C=C[C@H]3O2)cc1 101194270 PYDIIHHQIIHWSY-MMQJMDILSA-N 343.335 0.669 0 50 ECAA Cc1cccc(N([C@@H](C)C(=O)N2CCN(C)CC2)S(C)(=O)=O)c1 65362345 SHOBFBLZFMQTQZ-AWEZNQCLSA-N 339.461 0.924 0 50 ECAA O=C(NC[C@@H]1CCCN(Cc2ccco2)C1)C(=O)N1CCOCC1 67675344 VSBKGVCADWYYMI-AWEZNQCLSA-N 335.404 0.467 0 50 ECAA O=C(NCc1n[nH]c2c1CCC2)[C@@]12CNC[C@@H]1CN(C1CCCC1)C2 67935186 HJTLTERPUPOFAF-BFUOFWGJSA-N 343.475 0.979 0 50 ECAA C[C@@H](Sc1ccccn1)C(=O)N1CCC2(CC1)NCCNC2=O 67967072 CLZVWJAMFRORFQ-GFCCVEGCSA-N 334.445 0.643 0 50 ECAA Cn1c(N2CC[C@H](O)C2)nc2cc(C(=O)NC3CCNCC3)ccc21 219630654 ZOZBMRKVAUNQRD-AWEZNQCLSA-N 343.431 0.626 0 50 ECAA CC[C@@]1(O)CCN(c2cc(C(=O)N3CCN(C)CC3)ccn2)C[C@H]1O 77542443 PMWBDUICORHDAX-CRAIPNDOSA-N 348.447 0.181 0 50 ECAA 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0.282 0 50 ECAA CN1CCc2[nH]nc(C(=O)N3CCc4c(ncnc4N(C)C)C3)c2C1 72167840 PXYXEJLOBFZAAN-UHFFFAOYSA-N 341.419 0.452 0 50 ECAA Cc1cccc(CNC(=O)CN2CCC[C@](O)(Cn3ccnn3)C2)c1 284619209 RPGHMVBMKPWZIV-GOSISDBHSA-N 343.431 0.730 0 50 ECAA CCc1nnc2ccc(N3CCC[C@@](O)(Cn4ccnn4)C3)nn12 284780021 QIMUQJMOQMEEKX-HNNXBMFYSA-N 328.380 0.310 0 50 ECAA Cn1cnc(C(=O)N[C@@H]2CCC(=O)N(C3CC3)[C@H]2c2ccnn2C)c1 285087985 DKFHUMAVEFOCBK-MLGOLLRUSA-N 342.403 0.778 0 50 ECAA CO[C@@H]1C[C@@H](CO)N(C(=O)Cn2nnc(-c3ccc(C)cc3)n2)C1 338172632 RYUWKKVGZXWFCJ-UONOGXRCSA-N 331.376 0.257 0 50 ECAA O=S(=O)(c1ccc2c(c1)CCCC2)N1CC[C@](O)(c2c[nH]nn2)C1 285187552 UXYMLHJNQVACQQ-MRXNPFEDSA-N 348.428 0.966 0 50 ECAA COC(=O)c1cc(N2C[C@@H](NS(C)(=O)=O)[C@H](C(C)C)C2)ncn1 82148115 FLFVILYVWNQAKK-CMPLNLGQSA-N 342.421 0.273 0 50 ECAA CNC(=O)[C@H]1CN(C(=O)C2(CCOC)CCC2)C[C@@H]1c1cnn(C)c1 286581489 ZHJYFPWJEWGYFQ-CABCVRRESA-N 348.447 0.915 0 50 ECAA COCCc1nc(-c2ccc(CO)o2)n([C@@H]2CCS(=O)(=O)C2)n1 96140870 KVBZXGUZIRALGV-SNVBAGLBSA-N 341.389 0.579 0 50 ECAA Cc1cc(C(=O)N2CCC(c3nccn3CC(N)=O)CC2)nc(C)n1 95524275 AJLFTIZJPUTJLF-UHFFFAOYSA-N 342.403 0.795 0 50 ECAA CN1C(=O)[C@@H](CC(=O)NCc2ccc3c(c2)CCCO3)N(C)C1=O 91536223 CAEYCBVDYNMEKX-CYBMUJFWSA-N 331.372 0.910 0 50 ECAA O=C(N[C@@]1(C(=O)O)CCSC1)[C@H]1CC(=O)N(C2CCCC2)C1 299741639 HBSHIGJNGSXQIG-BONVTDFDSA-N 326.418 0.854 0 50 ECAA COCC(=O)N1CC[C@@H](NC(=O)c2ccc(COC)s2)[C@H](O)C1 299765818 XWRWQCANJOATAH-VXGBXAGGSA-N 342.417 0.233 0 50 ECAA CN(C)C1=NC2(CCN(C(=O)CSc3ccncc3)CC2)C(=O)N1 299777420 NUANFTYWMHXQGY-UHFFFAOYSA-N 347.444 0.582 0 50 ECAA O=C1NCC(=O)N2CCN(C(=O)CCSCc3ccccc3)C[C@@H]12 299772096 ZFUNRJBZGGNIHV-AWEZNQCLSA-N 347.440 0.479 0 50 ECAA Nc1nc(CCCNS(=O)(=O)N2CCC(C(=O)O)CC2)cs1 828479666 JENYCPYHWCEGCZ-UHFFFAOYSA-N 348.450 0.289 0 50 ECAA CNC(=O)[C@H]1CC(=O)N(C2CN(C(=O)C3(OC)CCCCC3)C2)C1 685943066 VIGQNJHVDBNSMX-LBPRGKRZSA-N 337.420 0.141 0 50 ECAA CO[C@H]1COCC[C@H]1N1CCN(S(=O)(=O)c2cccnc2)CC1 685945121 WTKAFTIBFMCNGO-CABCVRRESA-N 341.433 0.192 0 50 ECAA 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CC(C)(C)[C@H]1COCCN(c2ncnc3c2ncn3C[C@H](O)CO)C1 2325815148 BHPRWUARCVDTTO-OLZOCXBDSA-N 349.435 0.678 0 50 ECAA CC(=O)NCCc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)O)cc1 269328 XPEXNZLQPDWWRS-CQSZACIVSA-N 340.401 0.603 0 50 ECAA COCCNC(=O)CN(C)S(=O)(=O)c1ccc(OC)c(C)c1 2873596 YMFDQQADDVKNOH-UHFFFAOYSA-N 330.406 0.387 0 50 ECAA CNC(=O)[C@@H]1C[C@H](N)CN1C1CCN(C(=O)c2ccccc2)CC1 67785673 XJJNNROASPMRAJ-HOCLYGCPSA-N 330.432 0.439 0 50 ECAA CN(Cc1cccc(-n2cccn2)c1)C(=O)CCCS(N)(=O)=O 77300543 JONPWVCJAAXRPR-UHFFFAOYSA-N 336.417 0.899 0 50 ECAA CN1CCN(c2ncc(S(C)(=O)=O)c([C@@H]3CCCNC3)n2)CC1 71735872 VDHCEGZAVJTBBW-GFCCVEGCSA-N 339.465 0.099 0 50 ECAA COCn1nccc1S(=O)(=O)NC1CCC(CN(C)C)CC1 331046019 HXBJWLUOQNPGIQ-UHFFFAOYSA-N 330.454 0.886 0 50 ECAA CN(C)c1noc(CNC(=O)N2CCN(c3ccncc3)CC2)n1 812218647 RYCVCWMOACZXKX-UHFFFAOYSA-N 331.380 0.562 0 50 ECAA CCCc1n[nH]cc1C(=O)NCc1cc(N2CCOCC2)ncn1 72477877 ZXCPUVBTGUSZEU-UHFFFAOYSA-N 330.392 0.919 0 50 ECAA CCc1cccc(C)c1N1C[C@@H](C(=O)NCc2n[nH]c(=O)[nH]2)CC1=O 219925365 JDRTUNGRHHNMKK-LBPRGKRZSA-N 343.387 0.638 0 50 ECAA C[C@H](NC(=O)c1cnc(O)n(C)c1=O)c1ccc(OCC(=O)O)cc1 263105440 RKZXBSCASSWFDH-VIFPVBQESA-N 347.327 0.440 0 50 ECAA COC[C@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)CCn1c(=O)[nH]c2ccccc21 222932913 XQBCOUOUIXTPCR-SONRMIBWSA-N 345.399 0.886 0 50 ECAA CCn1ccc(CN2CCn3nc(CNC(=O)COC)cc3C2)n1 426535129 KBLYBKPDUDYUIX-UHFFFAOYSA-N 332.408 0.378 0 50 ECAA Cc1cc(C)nc(CN=c2cc([C@@H]3CCOC3)[nH]c(=NCCO)[nH]2)n1 426727557 WJAFHWWDIJEWAJ-CYBMUJFWSA-N 344.419 0.247 0 50 ECAA O=C1C[C@H](C(=O)O)C2(CCN(c3cc(N4CCCC4)cnn3)CC2)N1 95381003 NUFIRKFNSWABAJ-CYBMUJFWSA-N 345.403 0.637 0 50 ECAA CN(C)[C@H]1CCN(CC(=O)NCc2nc(-c3ccncc3)n[nH]2)C1 299769744 PRDFGLZPSHTTQN-ZDUSSCGKSA-N 329.408 0.119 0 50 ECAA CCNC(=O)[C@H]1CCN(C(=O)Nc2cccc(-n3cnnn3)c2)C1 299777749 KSFMCTKVCQTVLN-NSHDSACASA-N 329.364 0.652 0 50 ECAA Cc1nn(C)c(C)c1CCC(=O)N1CC[C@H]2[C@H](C1)OCc1cnnn12 299765482 HITYJMUCBBQIKK-HOTGVXAUSA-N 344.419 0.933 0 50 ECAA CC1(C)SC[C@H](C(=O)NCCCc2nnc3ccccn23)NC1=O 299800587 WZHZBFLHAOSWKR-LLVKDONJSA-N 347.444 0.788 0 50 ECAA C[C@H](NC(=O)CCCn1cnnn1)c1nc(-c2cccnc2)no1 299764442 WJKLYDOKYKLUQS-JTQLQIEISA-N 328.336 0.776 0 50 ECAA COCC1(CNS(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CCCC1 824349326 BDRAHVUHTSTQIE-LLVKDONJSA-N 325.452 0.300 0 50 ECAA O=C1CN(C(=O)NCc2ccccc2CN2CCCC2=O)CCCN1 584885690 RSKYKMRUIZBXMS-UHFFFAOYSA-N 344.415 0.841 0 50 ECAA Cc1nc([C@H]2CCOC2)n(-c2cc(S(N)(=O)=O)ccc2F)n1 584900560 KDSFKCOHSNUOCR-VIFPVBQESA-N 326.353 0.866 0 50 ECAA CN(CCCC(=O)O)C(=O)[C@@H]1CCC(=O)N(C)[C@@H]1c1cnn(C)c1 268950840 SWAWCRYUWBSDFC-IUODEOHRSA-N 336.392 0.653 0 50 ECAA C[C@H](CNC(=O)NC[C@@H](C)S(N)(=O)=O)COCc1ccccc1 408515743 XZOCJBXJOPLZNO-CHWSQXEVSA-N 343.449 0.816 0 50 ECAA COc1cc(CNC(=O)c2nnc(O)nc2O)c2ccccc2n1 677950517 XKIWDUYLDIDPNN-UHFFFAOYSA-N 327.300 0.770 0 50 ECAA O=C(O)Cn1cnc(NC(=O)[C@@H]2C[C@@H]2c2ccc3c(c2)OCCO3)n1 647782384 JZPBFJXHRVXJQJ-GHMZBOCLSA-N 344.327 0.876 0 50 ECAA Cc1nc2c(c(C)c1CCC(=O)N1C[C@@H]3CNC[C@@H]3C1)c(=O)[nH]n2C 195257418 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CCN1C[C@]2(C[C@@H](O)[C@H](NC(=O)c3cnc(O)n3C)C2)[C@@H]1C(C)C 926235200 SJALOPQYQGADEC-CVGURMSBSA-N 336.436 0.725 0 50 ECAA CN1CCC(OCC(=O)N2CCN(c3ccccc3)C(=O)C2)CC1 935412277 RJQGAKXLEGEPIX-UHFFFAOYSA-N 331.416 0.973 0 50 ECAA NC(=O)[C@@H]1CCCN1C1CCN(C(=O)[C@@H]2CC[C@@H]3CCCCN32)CC1 857841493 CFWJZZFLSYTTDO-XIRDDKMYSA-N 348.491 0.944 0 50 ECAA C[C@@H]1CN(C(=O)c2cccn2CCN2CCOCC2)[C@H](C)CN1C 864058820 VVVQJOTYDQDIGH-HZPDHXFCSA-N 334.464 0.985 0 50 ECAA CNc1ccc(C(=O)NC[C@@H]2OCCN(C)[C@H]2c2cncn2C)cn1 952852476 BHLBQCQTBAVJFC-HOCLYGCPSA-N 344.419 0.659 0 50 ECAA CN1CCN(c2ccc(F)cc2C(=O)N(C)Cc2nncn2C)CC1 952845945 QDMANTWASAMVMD-UHFFFAOYSA-N 346.410 0.978 0 50 ECAA CN(C)C/C=C/C(=O)NC[C@]1(CO)COCCN1Cc1ccccc1 1875376604 CRSNCYNMZZAESF-AIADIJKESA-N 347.459 0.484 0 50 ECAA C=CC(=O)N1CC(O)(CNC(=O)[C@H]2CCCC[C@H]2n2cccn2)C1 1875389271 IIBRJOXYKWYCHK-UONOGXRCSA-N 332.404 0.490 0 50 ECAA CO[C@@H]1COC[C@@H]1S(=O)(=O)N(C)Cc1nc2ccccc2[nH]1 1875362730 QHWRHMIZAHWNPR-OLZOCXBDSA-N 325.390 0.738 0 50 ECAA CNC(=O)C[C@@H]1CN(C(=O)Cc2ccc(C(F)(F)F)nc2)C[C@H]1O 1875403854 HKKSCJMLLLLQRK-GHMZBOCLSA-N 345.321 0.598 0 50 ECAA COc1ccc(CC(=O)N2CCN([C@]3(C(=O)O)CCOC3)CC2)cc1 886096633 HNJNOUXBESFJQT-GOSISDBHSA-N 348.399 0.626 0 50 ECAA CC1(CS(=O)(=O)N2CCc3cccc(F)c3C2)CS(=O)(=O)C1 1775999773 XXDOJJVSVNCBHI-UHFFFAOYSA-N 347.433 0.948 0 50 ECAA Cc1nn(CC(=O)N2C[C@H]3C(=O)OC[C@H]3C2)c(=O)c2ccccc12 2356152111 AJKRMJODHHYAFP-BXUZGUMPSA-N 327.340 0.336 0 50 ECAA O=S1(=O)CC[C@H](NS(=O)(=O)c2cccc3cccnc23)C1 4197628 WDDVWIHBAFGUEF-NSHDSACASA-N 326.399 0.700 0 50 ECAA C[C@@H](Sc1ccccn1)C(=O)N1CCn2c(C(N)=O)cnc2C1 67712794 UENJVDPIGPYVGW-SNVBAGLBSA-N 331.401 0.900 0 50 ECAA COCCOc1cc(C(=O)N2CCC[C@H](N3CCNC3=O)C2)ccn1 364169054 KPOWVWDSXLYBJT-AWEZNQCLSA-N 348.403 0.737 0 50 ECAA O=C(CN1C(=O)CNC1=O)N[C@@H](c1ccncc1)c1ccc(F)cc1 215080935 GVAIVLIWVKLOMJ-MRXNPFEDSA-N 342.330 0.978 0 50 ECAA CS(=O)(=O)N1CC[C@@H](CNC(=O)[C@@H](N)CC2CCCCC2)C1 333316833 SXRNNLOBZALGSI-KBPBESRZSA-N 331.482 0.682 0 50 ECAA Cn1cc(C(N)=O)cc1C(=O)N1CC[C@](O)(c2ccc(F)cc2)C1 378522607 XUZQFFWGUZIEBG-QGZVFWFLSA-N 331.347 0.997 0 50 ECAA O=C1NCCN(CCc2ccccc2)[C@@H]1CC(=O)N1CCSCC1 15066760 WDWKIQXJWDBAHJ-MRXNPFEDSA-N 347.484 0.995 0 50 ECAA Cc1[nH]nc(CCC(=O)N2CCc3c(nc(N(C)C)[nH]c3=O)C2)c1C 71775690 RMFVVMKARRGABL-UHFFFAOYSA-N 344.419 0.693 0 50 ECAA Cc1ncsc1CN1CCN(S(=O)(=O)N2CCOCC2)CC1 129762542 NDIVMYCRLLWCNT-UHFFFAOYSA-N 346.478 0.146 0 50 ECAA CN1CCN([C@H](C(=O)N2CC[C@@H](C(=O)O)C2)c2ccccc2)CC1 178264906 OUFQNRONCKBIRG-CVEARBPZSA-N 331.416 0.908 0 50 ECAA CNC(=O)c1noc(Cn2ccc3c(OC)c(OC)ccc3c2=O)n1 95382920 SFXUOLOPXQHFLH-UHFFFAOYSA-N 344.327 0.810 0 50 ECAA CN(C)[C@@H](C(=O)NCCN(C)S(C)(=O)=O)c1ccc(F)cc1 95368968 RKJQOQHBCBKOGM-CYBMUJFWSA-N 331.413 0.436 0 50 ECAA Cn1cnc(S(=O)(=O)N2C[C@@H](C(=O)O)[C@H](c3ccccn3)C2)c1 91755843 XBADJBFSXOQMSV-GHMZBOCLSA-N 336.373 0.304 0 50 ECAA CCCc1nnc(N2C[C@H](CO)[C@H](CN3CCC(O)CC3)C2)s1 95384664 ZRZXBWZLVAWSNN-CHWSQXEVSA-N 340.493 0.992 0 50 ECAA CC[C@H](C)[C@H](NC(=O)c1ccc(CN2CCN(C)CC2)o1)C(N)=O 97425240 JNXMTVXTPPHDPZ-WFASDCNBSA-N 336.436 0.657 0 50 ECAA Cc1cc(C(=O)N2C[C@H](CO)[C@H](CN(C)CCN(C)C)C2)ccc1O 91526480 ZKZUCWXMXSFXBO-IAGOWNOFSA-N 349.475 0.875 0 50 ECAA CCOC(=O)N1CCC(NC(=O)[C@H]2CCCCn3nnnc32)CC1 97797667 SASVVCYTQZNUAO-LBPRGKRZSA-N 336.396 0.678 0 50 ECAA CN1CCN(C(=O)CN2CCC[C@@H](C(=O)c3ccccn3)C2)CC1 244719080 LWLOBECDZKRGLY-OAHLLOKOSA-N 330.432 0.750 0 50 ECAA Cn1nc(C(=O)N[C@@H](Cc2ccccn2)[C@H]2C[C@@H](O)C2)ccc1=O 244787832 QEMDFFRMYJCLFT-LNSITVRQSA-N 328.372 0.287 0 50 ECAA Cc1[nH]nc(-c2ccc(F)cc2)c1CC(=O)NCC(=O)NCC(=O)O 253411944 PJYSQRKYCXIDGZ-UHFFFAOYSA-N 348.334 0.384 0 50 ECAA CN(CC(=O)NCC1(CN2CCCC2)CC1)[C@@H]1CCS(=O)(=O)C1 534635485 OBCPMTNOFFKFRN-CQSZACIVSA-N 343.493 0.098 0 50 ECAA CCn1ncnc1CN1CCC[C@@H](CNC(=O)CCn2cccn2)C1 823609654 CWIGUFYTPVKAAW-HNNXBMFYSA-N 345.451 0.913 0 50 ECAA COCCN1C(=O)[C@H](C(N)=O)[C@H]2c3ccccc3O[C@@]13CCOC[C@H]23 824411946 JMSHJQKXTMLFQX-OYUZRVEBSA-N 346.383 0.486 0 50 ECAA biogenic COc1ccc(C(=O)N2CCCN(C(=O)c3[nH]nnc3C)CC2)cn1 941597321 QJQIIHFTLBTHCF-UHFFFAOYSA-N 344.375 0.505 0 50 ECAA CCN(CCCNC(=O)c1cnn2c1NC[C@@H](C)C2)S(C)(=O)=O 1352878280 RGUGLHJEGKJNJS-LLVKDONJSA-N 343.453 0.346 0 50 ECAA CCc1ncc(C(=O)N[C@H]2CCN(Cc3ccccn3)C[C@@H]2O)cn1 1565526761 SFBFQDIZEWEWAB-HOTGVXAUSA-N 341.415 0.799 0 50 ECAA Cc1nc2ncccn2c1C(=O)N1C[C@H]2CCN(C)C[C@@]2(C(=O)O)C1 1565515855 GMJBVMLWRSGCET-SJKOYZFVSA-N 343.387 0.516 0 50 ECAA COc1cc2c(cc1OC)CN(C(=O)CN1CCC(=O)NC1=O)CC2 209562630 UQGCIEYJQJOQKU-UHFFFAOYSA-N 347.371 0.530 0 50 ECAA CC(C)NS(=O)(=O)c1c[nH]c(C(=O)N2CC[C@@H](C)[C@H](O)C2)c1 408094146 FZLSDGCKNIOQEX-ZWNOBZJWSA-N 329.422 0.544 0 50 ECAA O=C(O)[C@H]1COCCN1S(=O)(=O)c1cc(F)c(F)c(F)c1 274968775 CDZKLRFERDIPGG-SECBINFHSA-N 325.264 0.578 0 50 ECAA CCNC(=O)N1CCN(C(=O)[C@H]2COCCN2CC2CCC2)CC1 188092479 WVPCYLVNAUOGQC-OAHLLOKOSA-N 338.452 0.361 0 50 ECAA CCc1nocc1CN1CCO[C@H](CNc2nccn(C)c2=O)C1 660415263 XXNYFBMTYJCTBB-CYBMUJFWSA-N 333.392 0.644 0 50 ECAA 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344.331 0.078 0 50 ECAA COC(=O)c1cn(CC(=O)N2Cc3ccccc3N(C)C[C@@H]2C)nn1 267750170 WQQAYLQTBSXKGE-LBPRGKRZSA-N 343.387 0.932 0 50 ECAA CN(CCCN1CCCCCC1)C(=O)c1cc(-n2cnnn2)[nH]n1 244724728 MZQZXTBBLKLJFL-UHFFFAOYSA-N 332.412 0.724 0 50 ECAA Cc1ccccc1OC[C@H](O)C(=O)NCC1(CN2CCOCC2)CC1 244605513 DZWFAWNRXLDNFK-INIZCTEOSA-N 348.443 0.963 0 50 ECAA CS(=O)(=O)c1ccc(C(=O)N[C@@H](C(N)=O)c2ccccc2)cn1 1361436506 MRIKWQXSESKNBC-CYBMUJFWSA-N 333.369 0.442 0 50 ECAA CNC(=O)[C@]12CCOC[C@H]1CN(C(=O)Cc1ccnc(OC)c1)C2 952849096 XNAOEGHWQGDTCJ-DYVFJYSZSA-N 333.388 0.244 0 50 ECAA Cc1nonc1CC(=O)N[C@H]1CCOC[C@@H]1OCc1ccccn1 1565505615 NEDKQLDKIHGQHH-ZFWWWQNUSA-N 332.360 0.806 0 50 ECAA CN(C)c1ncccc1O[C@H]1CCN(C(=O)CN2CCOCC2)C1 275605565 LFYURMHXIOTZBJ-AWEZNQCLSA-N 334.420 0.460 0 50 ECAA Cc1cc(C)n2nc(C(=O)N3CCNC(=O)[C@H]3CC(C)C)nc2n1 189075247 XTOWHXZDKBQJPU-GFCCVEGCSA-N 330.392 0.728 0 50 ECAA CNC(=O)[C@@]1(COC)CCCN1C(=O)c1ccc2nnn(C)c2c1 643948317 OVWMGIPCYXZPNO-INIZCTEOSA-N 331.376 0.336 0 50 ECAA 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CGKZOAHAASXNIX-CQSZACIVSA-N 342.403 0.120 0 50 ECAA Cc1cc(C[C@@H]2COC[C@@H]2NC(=O)c2cn3c(n2)CNCC3)on1 72163485 NXVUPIRWHKXSIA-RISCZKNCSA-N 331.376 0.270 0 50 ECAA COc1ccc(CCN(C)[C@H]2CCCN(C(=O)C(N)=O)C2)cc1OC 72165863 XFZBPTGXKSDYMA-AWEZNQCLSA-N 349.431 0.654 0 50 ECAA CS(=O)(=O)N1CC[C@@H]2[C@@H](CCC(=O)N2CCc2ccccn2)C1 72418360 ZUHCNNBGAIXVOU-DZGCQCFKSA-N 337.445 0.897 0 50 ECAA C[C@@]1(C2CC2)NC(=O)N(CC(=O)N2CCC(c3cnc[nH]3)CC2)C1=O 377272684 GAMMOOOXJUSXAQ-KRWDZBQOSA-N 345.403 0.836 0 50 ECAA O=C(CN1CCN(Cc2ccccc2)CC1)N1C[C@H](O)C2(CC2)C1 375289540 SGIHGHRGBJPQSW-KRWDZBQOSA-N 329.444 0.788 0 50 ECAA CS(=O)(=O)NCC(=O)N[C@H]1[C@@H]2CCO[C@@H]2[C@@H]1Cc1ccccc1 219684666 ZMDYSCKUWNTROL-XRGAULLZSA-N 338.429 0.298 0 50 ECAA NC(=O)[C@@]1(O)CCCN(c2ncccc2C(=O)N2CCCCC2)C1 284552885 HMNNFSOCBJCDBJ-QGZVFWFLSA-N 332.404 0.524 0 50 ECAA O=C(c1ccn(-c2ccc(F)cc2)n1)N1CC[C@@](O)(c2c[nH]nn2)C1 284570279 HYBNYUXTTDDZEA-INIZCTEOSA-N 342.334 0.863 0 50 ECAA Cc1cccnc1CCNC(=O)N1CC[C@@H](CS(N)(=O)=O)C1 426433688 RYBYVKMCVIIIHZ-GFCCVEGCSA-N 326.422 0.253 0 50 ECAA Nc1ccc(C(=O)N2CCC[C@H](c3ccnn3CC(=O)O)C2)cn1 426685257 GJMCNQMVDOMVGY-LBPRGKRZSA-N 329.360 0.965 0 50 ECAA O=C(CC[C@@H]1NC(=O)NC1=O)NCC1(c2ccccc2)CCOCC1 92019407 ULRDPKWRVDBGRY-AWEZNQCLSA-N 345.399 0.839 0 50 ECAA Cc1nc2ccc(NC(=O)N3CCNC(=O)[C@H]3CCO)cc2nc1C 95496827 VJENAUJBKZTYMS-OAHLLOKOSA-N 343.387 0.961 0 50 ECAA CS(=O)(=O)CC[C@@H](N)C(=O)Nc1ccc(N2CCCCC2)nc1 336867980 UVVOKJRHSQHBBP-CYBMUJFWSA-N 340.449 0.772 0 50 ECAA CO[C@@H]1CN(Cc2ncnn2-c2ccccc2)C[C@H]1c1cnn[nH]1 621317023 KWMZOPOAHDMXRL-DZGCQCFKSA-N 325.376 1.000 0 50 ECAA CCCn1cc(CNC(=O)CCN(C)[C@H]2CCS(=O)(=O)C2)cn1 244723794 MHNRARVJAOMGNQ-AWEZNQCLSA-N 342.465 0.418 0 50 ECAA CN(C)C(=O)NCc1cc2n(n1)CCN(C[C@H]1CC[C@@H](N)CC1)C2 244659756 HICYPVNWQMSVDZ-OKILXGFUSA-N 334.468 0.987 0 50 ECAA Cc1csc(CN(C)C(=O)CCN(C)[C@H]2CCS(=O)(=O)C2)n1 252480505 CBEBPFTXNFDGGT-LBPRGKRZSA-N 345.490 0.919 0 50 ECAA C[C@@H](Cn1cncn1)c1nc(CC(N)=O)nn1CCc1ccccc1 826842154 MBUWYPFEIJIMIW-ZDUSSCGKSA-N 339.403 0.944 0 50 ECAA Cc1cc(-c2nc(CC(N)=O)nn2CCO)ccc1N1CCOCC1 828778448 QBNJFIQBEJBNRS-UHFFFAOYSA-N 345.403 0.110 0 50 ECAA COCCN1C[C@@H](CNC(=O)/C=C/c2cc(CO)cs2)CC1=O 952980401 XBSDDKYCCBUFBI-QAVQXKDTSA-N 338.429 0.865 0 50 ECAA NC(=O)N1CCC[C@@H](C(=O)N2CCN(C3CCCCC3)C(=O)C2)C1 952966289 GXMLWPKHGLYVMC-CYBMUJFWSA-N 336.436 0.781 0 50 ECAA Cc1cccc2nc(CNC(=O)[C@@H]3CCCN(CC(N)=O)C3)[nH]c12 952973987 SKVZMMOADIKTCN-GFCCVEGCSA-N 329.404 0.685 0 50 ECAA CN[C@@H]1CCCN(C(=O)/C=C/c2ccc(OCC(N)=O)c(OC)c2)C1 269165090 OZQWEFLPMFIVNM-IZPAUZPXSA-N 347.415 0.783 0 50 ECAA Cc1cc2c(cc1C)[C@@H](C(=O)Nc1cn(C)c(=O)n(C)c1=O)CO2 185976001 LOTJMUPOUOQCLB-LBPRGKRZSA-N 329.356 0.816 0 50 ECAA O=C([C@@H]1CCCN1C(=O)C1CC1)N1CCC(c2nnc(O)o2)CC1 649219689 ZLJGIAFQFPYOIM-LBPRGKRZSA-N 334.376 0.882 0 50 ECAA CCCNC(=O)c1cccc(CNC(=O)N2CCO[C@H](C(=O)O)C2)c1 666516276 HFWXLQUVFNSYMP-AWEZNQCLSA-N 349.387 0.821 0 50 ECAA C[C@H]1CN(C(=O)NCc2cccc(CS(N)(=O)=O)c2)CCO1 669771071 KRYMWBMVERDISR-NSHDSACASA-N 327.406 0.405 0 50 ECAA CCCc1cc(N2C[C@H](CS(=O)(=O)N(C)C)[C@@H](O)C2)nc(C)n1 1615738082 LVUZHEWXXHUOGY-OCCSQVGLSA-N 342.465 0.426 0 50 ECAA CCN1CCNC(=O)[C@@H]1CC(=O)N(Cc1ccco1)C(C)(C)CO 1506431521 NPDLIHIJNKVFJM-AWEZNQCLSA-N 337.420 0.590 0 50 ECAA COc1ccc(S(=O)(=O)N2C[C@@H]3COCC[C@]3(C(=O)O)C2)cc1 1772703484 XMYWKMFLHSIRSG-ABAIWWIYSA-N 341.385 0.807 0 50 ECAA CC(=O)Cn1c(CN2CCC(C)CC2)nc2c1c(=O)n(C)c(=O)n2C 5824517 IYFXCXYPHMSMLG-UHFFFAOYSA-N 347.419 0.255 0 50 ECAA CCOCCn1c(-n2nc(C)cc2C)nc2c1c(=O)[nH]c(=O)n2C 12231338 AUMWYCXIZNAQLH-UHFFFAOYSA-N 332.364 0.262 0 50 ECAA C[C@H]1C(=O)N2CCN(C(=O)OCc3ccccc3)C[C@@H]2C(=O)N1C 14743422 VREZFDJRVGPYOU-GXTWGEPZSA-N 331.372 0.697 0 50 ECAA O=C(O)[C@H]1C[C@H]1C(=O)NCC1(n2cc(Br)cn2)CC1 1857530253 YJHZMQYEXKXOIG-BDAKNGLRSA-N 328.166 0.972 0 50 ECAA C[C@H]1CN2C[C@@H](NC(=O)c3ccc(-c4nnn(C)n4)cc3)C[C@H]2CO1 1857719779 UGHIBIWRUZQXMR-CQDKDKBSSA-N 342.403 0.469 0 50 ECAA CC(=O)N1CCCN(C[C@]2(O)CCCN(Cc3nccn3C)C2)CC1 1857736663 VVJQBZHTOISKDW-GOSISDBHSA-N 349.479 0.301 0 50 ECAA O=C(NCCN1CCCOCC1)N[C@@H]1CCN(CC(F)(F)F)C1 225471339 YZAFTGQDRITMMM-GFCCVEGCSA-N 338.374 0.645 0 50 ECAA Cc1c([C@@H]2[C@@H](C(=O)N3CCn4cncc4C3)CC(=O)N2C)cnn1C 640421782 KGTWSHPYYXGEQI-BBRMVZONSA-N 342.403 0.487 0 50 ECAA O=S(=O)(c1cccc(Cl)c1)N1CCN(c2nc[nH]n2)CC1 907347483 RTJYDZLMJYABLB-UHFFFAOYSA-N 327.797 0.969 0 50 ECAA COC[C@@H](NC(=O)Cn1cc(C=O)c2ccccc21)c1nn[nH]n1 1155070132 UVZZFANZBSHVAN-GFCCVEGCSA-N 328.332 0.471 0 50 ECAA Cc1ccc2c(c1)CC[C@H]2NS(=O)(=O)CC1CS(=O)(=O)C1 1875289808 QFJHHVXPZCHXEV-CQSZACIVSA-N 329.443 0.946 0 50 ECAA Cc1nnc2ccc(N3CCN(C(=O)[C@H]4CCCOCC4)CC3)nn12 886068597 PIFWRBOHYJHBEW-AWEZNQCLSA-N 344.419 0.898 0 50 ECAA CN(C)[S@@](C)(=O)=NC(=O)[C@@H]1CCCN(CC(F)(F)F)C1=O 1775991437 LUPTVOVYXQLLGN-PPRQPISWSA-N 329.344 0.888 0 50 ECAA C[C@@H](O)Cn1nc(CC(N)=O)nc1-c1cc(-c2ccccc2F)[nH]n1 2356139059 LNWFCPCFJJDMIA-SECBINFHSA-N 344.350 0.883 0 50 ECAA O=C(Cc1ccc2c(c1)OCO2)N1CCC[C@]2(CNCC[C@@H]2O)C1 2356141474 CSAMNDGMQQCXGA-WMZOPIPTSA-N 332.400 0.921 0 50 ECAA COCCN1CCC[C@@]2(CCCN2C(=O)c2cc(C)nn2C)C1=O 2356148085 GRGYWKXNODUWGY-QGZVFWFLSA-N 334.420 0.972 0 50 ECAA O=C(O)CNC(=O)c1ccc(S(=O)(=O)NCc2ccccn2)cc1 341789452 KHVCTDUXKMWFIE-UHFFFAOYSA-N 349.368 0.375 0 50 ECAA Cc1nc2c(c(=O)n1C)CCN(c1ncc3c(ncn3C)n1)CC2 2356169472 RPGAZRVUNURJFA-UHFFFAOYSA-N 325.376 0.371 0 50 ECAA CCN(CCO)C(=O)C[C@@H]1C(=O)NCCN1Cc1cccc(F)c1 55108335 AVUIIOLFRCSQCX-OAHLLOKOSA-N 337.395 0.357 0 50 ECAA CCN(CC)C(=O)[C@@H]1C[C@@H](N)CN1C(=O)c1ccc(C)n(CC)c1=O 67723701 UEEBRRJCBGHFRW-HIFRSBDPSA-N 348.447 0.587 0 50 ECAA Cc1nc(N(C)C)nc(NC[C@@H]2CN(S(C)(=O)=O)CCO2)c1C 65527836 HNGOLYJDGVWQJA-GFCCVEGCSA-N 343.453 0.232 0 50 ECAA CC1(C)CNC(=O)c2nc(CCN3CCC[C@H](C(N)=O)C3)[nH]c2C1 65525651 WVZXCSBGGZLBAB-NSHDSACASA-N 333.436 0.462 0 50 ECAA C[C@@H](c1ccccn1)N1CCN(S(=O)(=O)N=S(C)(C)=O)CC1 328600337 XBQJIXCAKLCCDV-LBPRGKRZSA-N 346.478 0.733 0 50 ECAA CC(=O)N[C@H]1CCN(c2nccc(-c3cc(C(=O)O)ccn3)n2)C1 77506218 NAQRGZJUSFTARV-LBPRGKRZSA-N 327.344 0.952 0 50 ECAA COCCOc1cccc(CNC(=O)CN2C[C@@H](O)C3(CC3)C2)c1 364317333 OGGXGRFRERRFSR-MRXNPFEDSA-N 334.416 0.785 0 50 ECAA CC(=O)N[C@H]1CC[C@@H](C(F)(F)F)N(C(=O)CCn2ccnn2)C1 330579485 QTTZINQGYRCKPP-QWRGUYRKSA-N 333.314 0.726 0 50 ECAA Cc1ccc(C(=O)N2C[C@@H](F)C[C@H]2CO)cc1NS(C)(=O)=O 330574488 PKOAKKRIUGBBHC-RYUDHWBXSA-N 330.381 0.911 0 50 ECAA C[C@H](O)CN1CCC(CN(C)C(=O)[C@@H](C)N2CCN(C)CC2)CC1 330630612 DEMYRPRSWWAGBR-JKSUJKDBSA-N 340.512 0.174 0 50 ECAA CN=c1ccc(C(=O)N2CC[C@@H](N=c3ccc4nccn4[nH]3)C2)c[nH]1 376024286 OZDBRGUYPJMHQC-CYBMUJFWSA-N 337.387 0.336 0 50 ECAA C[C@H]1Cc2ccccc2N1C(=O)CN1CCC(S(N)(=O)=O)CC1 372823714 MMWWLNWQHIOMDF-LBPRGKRZSA-N 337.445 0.717 0 50 ECAA CC(=O)N(CCC(=O)N1CCOC[C@@H]1C(=O)O)Cc1ccccc1 262408106 BAFOTRQXPVZTRH-OAHLLOKOSA-N 334.372 0.737 0 50 ECAA CNC(=O)Cn1cnc(NC(=O)C[C@H]2OCCc3ccccc32)n1 172670817 TVBSYMDODMMMML-CYBMUJFWSA-N 329.360 0.667 0 50 ECAA CNc1nc(C)cc(C(=O)N2CCNC(=O)[C@@H]2c2ccccc2C)n1 376982020 YCGHKDKROLUVDJ-HNNXBMFYSA-N 339.399 1.448 0 50 ECAA CO[C@H]1COCC[C@@H]1CC(=O)N1CCC[C@H]1CN1CCOCC1 333096077 PEXNKETYXKFZIQ-PMPSAXMXSA-N 326.437 0.751 0 50 ECAA CC(=O)N1CC[C@@H](NC(=O)CN2CCN(C)C(=O)C2)c2ccccc21 333592368 XFLHNAIJVAPDAL-OAHLLOKOSA-N 344.415 0.375 0 50 ECAA CNC(=O)[C@H]1CN(Cc2nc(C)ccc2O)C[C@@H]1c1cnn(C)c1 284494795 CWXJTJUPNXEEMH-KGLIPLIRSA-N 329.404 0.791 0 50 ECAA COc1cc(CNC(=O)N2CC[C@@H](S(C)(=O)=O)C2)ccc1O 241231209 KTBJUJJXOUTMEE-LLVKDONJSA-N 328.390 0.729 0 50 ECAA O=C(CN1CCOC1=O)N[C@@H]1COCC[C@@H]1Oc1cccc(F)c1 223577312 DBJPPXYXRZOQAY-KGLIPLIRSA-N 338.335 0.930 0 50 ECAA Cc1cc(=O)n(CC(=O)N2CCN(c3ccccc3)C(=O)C2)nc1C 82147744 USOUHUVYFKNLCC-UHFFFAOYSA-N 340.383 0.736 0 50 ECAA C[C@@]1(O)CCN(C(=O)c2ccccc2N2CCC(=O)NC2=O)C[C@@H]1O 96148512 OUMOGMNMKPDKDU-SUMWQHHRSA-N 347.371 0.091 0 50 ECAA C[C@H](C1CCN(c2cc(N3CCN(C)CC3)nc(N)n2)CC1)N(C)C 96162301 HWQQWGRMFVJXQC-CQSZACIVSA-N 347.511 0.977 0 50 ECAA COc1cccc(C(=O)N2CCN(c3cc(O)nc(N)n3)CC2)c1C 426425477 QZJDOTRBSQMULN-UHFFFAOYSA-N 343.387 1.044 0 50 ECAA 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Cn1nnnc1[C@@H]1CN(c2ncccc2C(=O)N2CCCC2)CCO1 2100545312 OJCSNCITYWVMRY-ZDUSSCGKSA-N 343.391 0.419 0 50 ECAA C[C@@H]1CN(S(=O)(=O)NCCOc2ccc(C(=O)O)cc2)CCO1 2325754749 ZHRKNZPNJOASHZ-LLVKDONJSA-N 344.389 0.319 0 50 ECAA Cn1nnc2c1[C@H](C(=O)N1CCC[C@@H](c3nnc(O)o3)C1)CCC2 2325821705 TYBYLCSFEVZUMT-NXEZZACHSA-N 332.364 0.730 0 50 ECAA COc1ccc(OCC(=O)N2CCN(S(C)(=O)=O)CC2)cc1 300393 KUJUNJAXRGYFOI-UHFFFAOYSA-N 328.390 0.178 0 50 ECAA N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(=O)O)C(=O)O 2384989 PWIQCLSQVQBOQV-AAEUAGOBSA-N 333.344 0.472 0 50 ECAA endogenous,in-man CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)C(F)(F)c1ccccc1 110705002 UNHBYEPJGUMHCB-LBPRGKRZSA-N 339.342 0.632 0 50 ECAA O=C(CC1CCN(C[C@@H](O)CN2CCCC2=O)CC1)N1CCCC1 111683758 ZHMQRPUGUHKKJN-MRXNPFEDSA-N 337.464 0.694 0 50 ECAA CCOC(=O)[C@@H]1[C@H]2CN(C(=O)c3cn(C[C@@H]4CCCNC4)nn3)C[C@H]21 102060132 SRGKEURWRZPOFL-CXTNEJHOSA-N 347.419 0.159 0 50 ECAA CN1CCN(Cc2cnc3cc(O)ccc3c2)[C@H]2CS(=O)(=O)C[C@H]21 72469608 MNNPOERZTOSJIY-SJORKVTESA-N 347.440 0.853 0 50 ECAA CS(=O)(=O)c1cc(NS(=O)(=O)c2cn[nH]c2)cc(C(=O)O)c1 356472575 BUJHJHJUEXLYOS-UHFFFAOYSA-N 345.358 0.312 0 50 ECAA CN(C)Cc1ccc(C(=O)N2CCNC[C@@H]2C(=O)N2CCCC2)o1 72145414 SJBMDVJCQJTYHX-CQSZACIVSA-N 334.420 0.378 0 50 ECAA CN(Cc1cc(O)nc(N)n1)[C@@H]1CCN(c2ccnc(C3CC3)n2)C1 328633243 LXHLECATRQDORF-CYBMUJFWSA-N 341.419 1.143 0 50 ECAA O=C(CN1CC(F)(F)C[C@@H]1CO)NCc1ccc2c(c1)OCO2 366687775 OFFGUUDEZGUCMP-LLVKDONJSA-N 328.315 0.733 0 50 ECAA CCN1C[C@@]2(CCCN(C(=O)Cc3cnc(C)[nH]c3=O)C2)CCC1=O 72422327 JNNYHSJGEKSIQG-GOSISDBHSA-N 346.431 0.872 0 50 ECAA C[C@@H](O)CN1CCN(C(=O)c2cccc(C(=O)NC3CC3)c2)CC1 439967604 ONRNLKSLOQSNJN-CYBMUJFWSA-N 331.416 0.717 0 50 ECAA CNS(=O)(=O)c1ccc(-c2nccn2[C@@H]2CCN(C)C2=O)cc1 72476146 CHFULXXQXSNEGD-CYBMUJFWSA-N 334.401 0.861 0 50 ECAA COc1cccc([C@H](CNC(=O)[C@@H]2C[C@@H](O)CN2)N2CCCC2)c1 237313652 BKJZKPUCFGDAPC-PVAVHDDUSA-N 333.432 0.671 0 50 ECAA O=C(O)[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccc3c(c2)OCCO3)CCO1 262906688 CBDUFSGMPLZXIV-ZOWXZIJZSA-N 333.340 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CC(=O)N1CCc2ccc(S(=O)(=O)N3CC[C@H](C(=O)O)C3)cc21 299741389 FNAFEQXURCVMQD-LBPRGKRZSA-N 338.385 0.691 0 50 ECAA Cn1cc(-c2cc(CN3CCCN(S(C)(=O)=O)CC3)on2)cn1 184975905 GXZCLHAUXYXDEV-UHFFFAOYSA-N 339.421 0.542 0 50 ECAA O=C(c1n[nH]c2c1CCC2)N1CCN(c2ncnc3[nH]cnc23)CC1 299796013 PJWUHWPSYCWMTA-UHFFFAOYSA-N 338.375 0.527 0 50 ECAA Cc1ccc(C(=O)N2CCS(=O)(=O)CC2)c(OCCCN)c1 299762473 XJEOUBVQZRTTQQ-UHFFFAOYSA-N 326.418 0.593 0 50 ECAA O=C(NC1CCN(CCO)CC1)N1CC[C@@](O)(c2ccccc2)C1 584897582 WNPBMTOOWVWMEK-SFHVURJKSA-N 333.432 0.746 0 50 ECAA CCN(CC)CC(=O)N[C@H]1CCN(C(=O)c2ccccc2)C[C@@H]1O 1453235452 MCUZVOMSHBPVHB-HOTGVXAUSA-N 333.432 0.720 0 50 ECAA CN(Cc1cn(C)nc1C(F)(F)F)S(=O)(=O)c1cn(C)cn1 269666481 SJBMLKWDOWHOCV-UHFFFAOYSA-N 337.327 0.993 0 50 ECAA CCc1nc(CN2CCC[C@@H](S(=O)(=O)N(C)CCOC)C2)n[nH]1 190377799 ZWPIISCHNOMHQW-GFCCVEGCSA-N 345.469 0.240 0 50 ECAA CO[C@]1(CO)CCCN(C(=O)NCc2cc3c(nc2O)CCC3)C1 664102303 LKRWHKFONWCKTR-QGZVFWFLSA-N 335.404 0.959 0 50 ECAA COc1ccc(C(=O)N2C[C@H]3COC[C@@H](C2)CN3CC(=O)O)c(C)c1 1704303759 BEKBOSVDMWLZPW-KGLIPLIRSA-N 348.399 0.861 0 50 ECAA Cc1cc(C[C@@H]2CN(C(=O)c3cnn4ccn(C)c34)C[C@@H]2O)on1 1704300411 UYLBEJWNBBUQGV-RISCZKNCSA-N 329.360 0.645 0 50 ECAA CN(C[C@@H]1CCCN1C)C(=O)Cn1nnnc1CN1CCCCCC1 12432281 ALERIIUQQWIOKI-HNNXBMFYSA-N 349.483 0.602 0 50 ECAA Cc1cnccc1CNC(=O)Cn1nnnc1CN1CCC(C)CC1 12449081 NBERGNBHCHUEEX-UHFFFAOYSA-N 343.435 0.925 0 50 ECAA NC(=O)COc1ccc(Cl)cc1S(=O)(=O)N1CCOCC1 16622521 FCUWOJRYUKUNEL-UHFFFAOYSA-N 334.781 0.225 0 50 ECAA CN(C)c1nc2c(c(=NC3CC3)[nH]1)CCC21CCN(CC(=O)O)CC1 1857707329 ODUVSRSKNGLMGU-UHFFFAOYSA-N 345.447 0.903 0 50 ECAA O=C(c1cn2c(n1)CCNCC2)N1CCO[C@@H](c2ccccn2)C1 1857724795 DBERTQQSBPTRLS-OAHLLOKOSA-N 327.388 0.638 0 50 ECAA O=C(O)c1cc2n(n1)CCN(C[C@H]1COc3ccccc3O1)C2=O 1875250643 UFZFPMOQKKZIJJ-JTQLQIEISA-N 329.312 0.877 0 50 ECAA O=S(=O)(N[C@H]1CCOC[C@@H]1O)c1ccc2c(c1)OCCCO2 625594547 FOBZBHXWOJWEJG-RYUDHWBXSA-N 329.374 0.276 0 50 ECAA Cn1nccc1N1CCC[C@H](NS(=O)(=O)c2cccs2)C1=O 328608412 AHKRGIZICZMUSU-JTQLQIEISA-N 340.430 0.956 0 50 ECAA CNC(=O)c1cc(O[C@@H]2CCN(C(=O)Cn3cccn3)C2)ccn1 370978704 JPPQAFLILKKZNU-CYBMUJFWSA-N 329.360 0.318 0 50 ECAA Cc1c(CC(=O)N2CCS(=O)(=O)C[C@@H]2C(C)(C)C)cnn1C 905900413 CAVDKLSKEDZHPL-CYBMUJFWSA-N 327.450 0.943 0 50 ECAA Cn1cc([C@H]2CS(=O)(=O)CCN2Cc2cnn(CCF)c2)cn1 930256995 SHHQXAGTUAGKLL-CQSZACIVSA-N 341.412 0.558 0 50 ECAA COCc1ccc([C@@H]2COCCN2CCN2CCCS2(=O)=O)o1 932325388 DRKWXFNWNSLIIM-AWEZNQCLSA-N 344.433 0.835 0 50 ECAA O=C(c1cc2cccn2cn1)N1CC[C@@H](OCCN2CCOCC2)C1 934721444 JDDQKUHENLEPLD-MRXNPFEDSA-N 344.415 0.898 0 50 ECAA Cc1cc(S(=O)(=O)NCCN2CCO[C@H](C)C2)ccc1C(=O)O 871946737 WXDURANNZIDOSB-GFCCVEGCSA-N 342.417 0.692 0 50 ECAA Cn1cc([C@@H]2CN(CC3CC3)C[C@H]2C(=O)N2CCNC(=O)CC2)cn1 952852780 SLIYSFBZRKSFPH-JKSUJKDBSA-N 345.447 0.194 0 50 ECAA CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)NCc1cnn(CC)n1)CC2 875770980 CJSOVLHPCUBHRM-ZIAGYGMSSA-N 337.424 0.760 0 50 ECAA CCN1C[C@@H](C(=O)N2CC[C@](C)(NC(=O)C(F)(F)F)C2)CCC1=O 1875269797 HKIWSBSDDJGDHF-HZMBPMFUSA-N 349.353 0.914 0 50 ECAA C=CC(=O)N1CC(C(=O)N[C@@H]2CCN(c3cccc(C)c3)C2=O)C1 1875387599 PGZIYPIQTOXCRY-OAHLLOKOSA-N 327.384 0.861 0 50 ECAA C[C@H](NC[C@]1(CO)COC[C@@H](C)N1C)c1cccc(-n2cnnn2)c1 1875399234 SHSFPXPHGDSJLU-KEYYUXOJSA-N 346.435 0.395 0 50 ECAA Cc1cc(C(=O)N[C@@H]2CCCC[C@@H]2Cc2nn(C)c(=O)n2C)n[nH]1 888094656 HLPHSECBKPFUOD-VXGBXAGGSA-N 332.408 0.682 0 50 ECAA CC(C)(C)OC(=O)NC[C@H]1CCC[C@H]1C(=O)NCCS(N)(=O)=O 848371462 WIJSBVYVPBKBRA-GHMZBOCLSA-N 349.453 0.332 0 50 ECAA C[C@@H]1C(=O)Nc2cc(C(=O)N3CCC[C@@]3(C)C(N)=O)ccc2N1C 2325781473 SSSQIBGWPCDXHS-QGHHPUGFSA-N 330.388 0.943 0 50 ECAA O=C(N[C@@H]1CCNC[C@H]1CO)c1nn(-c2ccc(F)cc2)cc1O 2325789352 LBYRKYZVIGSFHF-GXFFZTMASA-N 334.351 0.417 0 50 ECAA COC(=O)c1ncc(C(=O)N2CCNC(=O)[C@@H]2CC(C)C)s1 2325869595 VLWIKPSRZBSNCO-VIFPVBQESA-N 325.390 0.916 0 50 ECAA CC1CCN(CCCNC(=O)C2CCN(S(C)(=O)=O)CC2)CC1 54811762 KMIHAYNDIBMYLN-UHFFFAOYSA-N 345.509 0.896 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327.425 0.298 0 50 ECAA COc1cccc(CNC(=O)CN[C@H]2C(=O)NCC23CCOCC3)c1 933042181 KXEAUDNZTDJKIG-INIZCTEOSA-N 347.415 0.196 0 50 ECAA CC1(F)CN(C(=O)[C@@H]2CC[C@H](Cn3cnc4c(N)ncnc43)O2)C1 867915054 FNLLJKRUGLLTFY-ZJUUUORDSA-N 334.355 0.527 0 50 ECAA CNC(=O)C1(NC(=O)[C@@H]2Cc3ccccc3S2(=O)=O)CCCC1 1875269464 YGJDSPMOGCGBKB-ZDUSSCGKSA-N 336.413 0.560 0 50 ECAA Cc1ccc(CNC(=O)[C@@H]2CCCN2[C@H]2CCS(=O)(=O)C2)n1C 1875263658 PLCRNWSQIHBGCT-GJZGRUSLSA-N 339.461 0.601 0 50 ECAA CN(CC(=O)N1CCNCC1)c1ccnc(N[C@H]2CC[C@H](N)CC2)n1 1875317498 ZPRZYVXOQHZZGX-HDJSIYSDSA-N 347.467 0.026 0 50 ECAA CN1CCC[C@@H](CN=c2cc[nH]c(C(N)=O)c2)[C@@H]1c1cncn1C 1775958948 ISHRAMJYFYOTPR-BLLLJJGKSA-N 328.420 0.831 0 50 ECAA Cc1ccc(CC(=O)N2CCO[C@@H](Cn3cc(CO)nn3)C2)cc1C 1776006087 MFZRGWNWVZJPJR-QGZVFWFLSA-N 344.415 0.857 0 50 ECAA O=C(O)[C@H]1CS(=O)(=O)CCN1Cc1cccc(C(F)(F)F)n1 2325765180 ZOXZABAGCHAASM-SECBINFHSA-N 338.307 0.784 0 50 ECAA Cc1ccc(CNC(=O)N[C@H]2CC(=O)NC2=O)c(N2CCCC2)c1 2325813082 JWNSGUKJBOYNAK-ZDUSSCGKSA-N 330.388 0.810 0 50 ECAA C[C@@H]1CN(c2cc(N3CCC[C@H]3CO)ncn2)C[C@@H]1N1CCOCC1 246609800 WRJGNSQXVAXZGC-PMPSAXMXSA-N 347.463 0.595 0 50 ECAA CCOC(=O)CNC(=O)CCCCCC(=O)NCC(=O)OCC 4339763 UUQIOJKOAPDXTP-UHFFFAOYSA-N 330.381 0.296 0 50 ECAA Cc1cc(N2CCN(c3nc(C)c(S(N)(=O)=O)s3)CC2)n[nH]1 225778422 IDLUNIJXJCQNLT-UHFFFAOYSA-N 342.450 0.457 0 50 ECAA CN(C)S(=O)(=O)N1CCC[C@@H](C(=O)NCc2cccnc2)C1 20108804 ALORMLRFMUTKIV-CYBMUJFWSA-N 326.422 0.216 0 50 ECAA CS(=O)(=O)c1ccc2c(c1)CCN(S(=O)(=O)C1CC1)CC2 252483697 FHBKFSRGWBSOJJ-UHFFFAOYSA-N 329.443 0.983 0 50 ECAA CC1=NN(C(=O)Cc2ccc(-n3cnnn3)cc2)[C@@](O)(C(F)F)C1 6395231 HGOGFPKKXKTEMG-AWEZNQCLSA-N 336.302 0.767 0 50 ECAA Cc1ccccc1Cn1cc(C(=O)NCCN2CCNC2=O)nn1 11879214 DCLMAIMHKVPQEJ-UHFFFAOYSA-N 328.376 0.390 0 50 ECAA CCOc1ccccc1CN1CCNC(=O)[C@@H]1CC(=O)N(C)CCO 72155935 LJXOOJZQHNLGBG-HNNXBMFYSA-N 349.431 0.227 0 50 ECAA CCCn1cc(C(=O)N[C@@H]2CC(=O)N(C)[C@H]2c2ccnn2C)cn1 285082223 DBMUGIRBFUUARG-IUODEOHRSA-N 330.392 0.728 0 50 ECAA CO[C@@H]1C[C@@H](CO)N(C(=O)c2cccc(CN3CCN(C)CC3)c2)C1 331751358 ZFVOHFYXILDALB-ZWKOTPCHSA-N 347.459 0.656 0 50 ECAA COCCS(=O)(=O)c1ccc(C(=O)N2CCN[C@@H](C)C2)cc1 155084405 QDEQKRVZTHOVSP-LBPRGKRZSA-N 326.418 0.541 0 50 ECAA O=C([C@@H]1CNCCN1C(=O)CCc1cc(Cl)no1)N1CCCC1 72152477 HQECTEHCBAJOLX-LBPRGKRZSA-N 340.811 0.683 0 50 ECAA Cc1nc(N2CC[C@@H](N3CCOCC3)[C@H](O)C2)cc(-n2cccn2)n1 71681230 LJZPQJFMGBDBIK-HUUCEWRRSA-N 344.419 0.243 0 50 ECAA O=C(NCCn1ncnn1)[C@H]1CCCCN1C(=O)c1cccs1 333485739 TTWNRRHNIPIVHW-LLVKDONJSA-N 334.405 0.546 0 50 ECAA Cc1cc(N2CCCS2(=O)=O)ccc1C(=O)N[C@H](C)C(=O)O 262053216 FTWURBOISUXEBQ-SNVBAGLBSA-N 326.374 0.738 0 50 ECAA C[C@@H](CCNC(=O)[C@@H]1CCCN(S(C)(=O)=O)C1)N1CCCC1 72437031 DKJAAPJWJQXRPP-UONOGXRCSA-N 331.482 0.649 0 50 ECAA COC1(C(=O)N2CCN(C3CCOCC3)C[C@@H]2C)CCOCC1 375162785 WNXJGFAXDXNUEN-AWEZNQCLSA-N 326.437 0.894 0 50 ECAA C[C@@H](C(=O)N(C)C)S(=O)(=O)N1CC(COc2ccccc2)C1 377295834 KJPWNVDLVFHOQA-LBPRGKRZSA-N 326.418 0.804 0 50 ECAA O=C(N1CCC[C@](O)(CO)C1)C1(S(=O)(=O)c2ccccc2)CC1 72151193 FMPVRQCUACUALJ-OAHLLOKOSA-N 339.413 0.339 0 50 ECAA Cn1cnnc1SCCNC(=O)NCC(=O)Nc1nccs1 426401595 DERYAFMNZYKGAQ-UHFFFAOYSA-N 341.422 0.302 0 50 ECAA Cc1nnnn1CCC(=O)N[C@@H]1COCC[C@H]1Oc1ccccn1 223285667 NWCAEXQOQYPLDM-CHWSQXEVSA-N 332.364 0.119 0 50 ECAA Nc1ccc(C(=O)N2CCC[C@@H](c3ccnn3CC(=O)O)C2)cn1 426685256 GJMCNQMVDOMVGY-GFCCVEGCSA-N 329.360 0.965 0 50 ECAA COCCN1C[C@@]2(CCCN(C(=O)c3c[nH]c(=O)cn3)C2)CCC1=O 91808898 RAQBCFHTUXNZGA-QGZVFWFLSA-N 348.403 0.261 0 50 ECAA Cc1noc(C)c1CN1CC[C@@]2(O)CCN(S(C)(=O)=O)C[C@H]2C1 95383017 NGGYWSXXCQDAQN-UKRRQHHQSA-N 343.449 0.510 0 50 ECAA O=C(O)[C@H]1CN(CCN2CCOCC2)CCN(C2CCCC2)C1 97756514 DMOQZEILUYUJLK-HNNXBMFYSA-N 325.453 0.580 0 50 ECAA Cc1ncnc(N2CCN(C(=O)[C@H]3CCCN(C(N)=O)C3)CC2)c1C 91619866 PYPFWZBNQNXVCN-AWEZNQCLSA-N 346.435 0.533 0 50 ECAA CN1CCN([C@H]2CCN(c3cc(N)ncn3)C[C@H]2CCCO)CC1 91452296 AVQLQAHUWWOFCK-CABCVRRESA-N 334.468 0.274 0 50 ECAA O=C(CC[C@H]1NC(=O)NC1=O)NCCc1nc(-c2ccccc2)no1 91536737 QGUAGIIXAOIUEJ-LLVKDONJSA-N 343.343 0.384 0 50 ECAA CN1C[C@H](C2CC2)[C@@H](NC(=O)c2ccc(N3CC(=O)NC3=O)cc2)C1 91616835 QRSUXXZVTOHFMT-CABCVRRESA-N 342.399 0.813 0 50 ECAA COc1cc(N2CC[C@@H](NC(=O)c3ccccc3)[C@H](O)C2)nc(N)n1 244811519 SFXGVUSONAZOAT-CHWSQXEVSA-N 343.387 0.437 0 50 ECAA Cc1ccc(C)c(N2CCN(C(=O)Cn3ncn(C)c3=O)CC2)c1 182481569 CYNOJKRJTYPMBV-UHFFFAOYSA-N 329.404 0.547 0 50 ECAA COc1ccc(-n2ccc(C(=O)N3CCO[C@H](C(=O)O)C3)n2)cc1 299749416 KGNRBDAXJNFUCX-AWEZNQCLSA-N 331.328 0.807 0 50 ECAA COc1coc(C(=O)N[C@H]2CCCN(c3ncccn3)C2)cc1=O 281164322 HIRDCQNYWYRZRB-NSHDSACASA-N 330.344 0.837 0 50 ECAA CC[C@@H]1C(=O)NCCN1C(=O)c1cccc(OC)c1OCCCN 299802266 ZQGRFRYEZKJAHG-CYBMUJFWSA-N 335.404 0.773 0 50 ECAA CCN(C)CCC(=O)NC1CC(CNC(=O)c2ccc(C(N)=O)[nH]2)C1 1449550800 OPKQYPKDAMGQMV-UHFFFAOYSA-N 349.435 0.080 0 50 ECAA O=C(O)[C@H]1COCCN1C(=O)c1cn(-c2ccccc2Cl)nn1 268989592 RUJDACNTGQIHSW-GFCCVEGCSA-N 336.735 0.846 0 50 ECAA CCn1cc(CC(=O)NC[C@@H]2CCCN2C(=O)c2cc[nH]n2)cn1 1497174595 FLXFOSCAKWNAFE-ZDUSSCGKSA-N 330.392 0.590 0 50 ECAA CCO[C@@H]1C[C@@](NS(=O)(=O)c2cnn(C)c2)(C(=O)O)C1(C)C 275521889 AQOGFEQYUDKNBE-ZWNOBZJWSA-N 331.394 0.357 0 50 ECAA CNC(=O)NC[C@H]1COCCN1CCc1nc2ccccc2n1C 640102290 KUUZXSKPIIETED-ZDUSSCGKSA-N 331.420 0.746 0 50 ECAA CN(Cc1cc(Cl)cn1C)C(=O)C[C@@H]1CS(=O)(=O)CCN1C 644386950 VPOKWRTVORIORE-CYBMUJFWSA-N 347.868 0.756 0 50 ECAA CC(C)(CNS(=O)(=O)c1ccccc1C(=O)O)S(C)(=O)=O 645961899 LZIGQBGHLFMNTN-UHFFFAOYSA-N 335.403 0.486 0 50 ECAA O=C(c1n[nH]c2c1CCCCC2)N1CC[C@](O)(Cn2ccnn2)C1 671605819 NHJJIZFPVCQHSS-MRXNPFEDSA-N 330.392 0.547 0 50 ECAA Cc1cc2[nH]c(CN3C[C@@H](O)[C@H](Cc4cnccn4)C3)cc(=O)n2n1 1704301229 QBUWYOCPTQXODT-IUODEOHRSA-N 340.387 0.156 0 50 ECAA COc1ccc(N2C[C@@H](C(=O)N3CCN(C(C)=O)CC3)CC2=O)cc1 11866559 DBXGJYGGZPTLIC-AWEZNQCLSA-N 345.399 0.739 0 50 ECAA CCn1nnnc1NC(=O)NC[C@@H](c1ccccn1)N1CCOCC1 19838746 ZJLUVPXBNMKLKE-ZDUSSCGKSA-N 346.395 0.283 0 50 ECAA COC(=O)c1cncc(C(=O)N2C[C@@H](O)[C@H](Cc3ccncc3)C2)c1 1875244956 CTKBZAQHGATYIO-HZPDHXFCSA-N 341.367 0.939 0 50 ECAA O=C(O)COc1ccc(C(=O)N2CCC[C@H](N3CCNC3=O)C2)cc1 659754616 UDLUFYFTGLLSEW-ZDUSSCGKSA-N 347.371 0.780 0 50 ECAA Cc1cc(C)n2nc(C)c(C(=O)N3CCO[C@@H](CC(=O)O)C3)c2n1 262430675 JLZQOVUCVILHGP-LBPRGKRZSA-N 332.360 0.970 0 50 ECAA CCc1noc(COCC(=O)N2CCOC3(CCN(C)CC3)C2)n1 823672676 CTWJIURRYJOFFF-UHFFFAOYSA-N 338.408 0.472 0 50 ECAA COCCn1ccnc1[C@H]1N(C(=O)Cn2ncn(C)c2=O)CC1(C)C 952890903 MWUZBBUJZPYQIX-CYBMUJFWSA-N 348.407 0.034 0 50 ECAA CO[C@@H]1C[C@H](CNC(=O)Cc2c(C)n[nH]c2C)N(c2ccncn2)C1 952886657 DGACYUVUQQDKQR-ZIAGYGMSSA-N 344.419 0.769 0 50 ECAA COc1cc(OC)[nH]c(=NCc2ccnc(N3CCC[C@@H](O)C3)c2)n1 1875256962 XRPZKHQBCMGRBS-CYBMUJFWSA-N 345.403 0.884 0 50 ECAA Cc1nn(C)c2ncc(NC(=O)NC[C@H](O)[C@H]3COC(C)(C)O3)cc12 1875272844 AFYRWZXBENZQJQ-QWHCGFSZSA-N 349.391 0.911 0 50 ECAA C=CC(=O)N1CC([C@H](C)NC(=O)Cn2cc([C@H]3CCOC3)cn2)C1 1875389070 AMHPCSNJJUXAIW-STQMWFEESA-N 332.404 0.536 0 50 ECAA CNC(=O)C[C@@H]1CN(C(=O)Cc2ccc3c(cnn3C)c2)C[C@H]1O 1875403925 LNBGIORPQIXSNB-UKRRQHHQSA-N 330.388 0.071 0 50 ECAA CS(C)(=O)=NS(=O)(=O)N1CCOc2c(C(=O)O)cccc21 1775991028 CGINPJGXLVVLFF-UHFFFAOYSA-N 334.375 0.556 0 50 ECAA O=S(=O)(c1ccccc1O)N1CCN(C[C@H](O)C2CC2)CC1 1775990755 ZKGAMKASGOCLIZ-AWEZNQCLSA-N 326.418 0.469 0 50 ECAA O=C(c1cc2nccnc2cc1F)N1CCN([C@H]2CCOC2)C(=O)C1 2325803022 JGIDBRRDXSFSJI-NSHDSACASA-N 344.346 0.842 0 50 ECAA O=C(Nc1ccon1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 620838 ORVQACTXZBUMDA-UHFFFAOYSA-N 337.357 0.948 0 50 ECAA COC(=O)[C@H](CC(C)C)NC(=O)CN1C(=O)c2ccccc2C1=O 1626957 SZIPLDVGDUNKQW-ZDUSSCGKSA-N 332.356 0.987 0 50 ECAA NS(=O)(=O)c1ccc(NC(=O)C[C@@H]2SC(=O)NC2=O)cc1 1799007 YDGQDNNJUOSWLJ-QMMMGPOBSA-N 329.359 0.014 0 50 ECAA biogenic NC(=O)[C@@H]1CC[C@@H](CNC(=O)N2CCC[C@@H](N3CCCC3)CC2)O1 245754118 DCBDVLZJDCMJCU-ILXRZTDVSA-N 338.452 0.679 0 50 ECAA COc1ccc(S(=O)(=O)N2CCC[C@@H](C(N)=O)C2)cc1OC 4856136 ADRCMVSYKPWOQL-SNVBAGLBSA-N 328.390 0.590 0 50 ECAA 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CC(C)C[C@@H](NC(=O)[C@H]1CC[C@H](CNC(=O)[C@@H](C)N)CC1)C(=O)O 248088340 UJDJYHZDBPMRGT-AAVRWANBSA-N 341.452 0.872 0 50 ECAA biogenic CC(C)S(=O)(=O)CC(=O)N[C@H](C1CCNCC1)[C@H]1C[C@H](O)C1 244724399 MTCOPAIZMVIJIO-UMVBOHGHSA-N 332.466 0.065 0 50 ECAA OC[C@H]1[C@H]2[C@H]3[C@@H](O)CC[C@H]3[C@@H]3[C@@H]2[C@@H]2[C@H]1[C@@H]1CC[C@H](O)[C@@H]1[C@H]2[C@@H]3CO 248003605 RRNAWCVSXZOYQC-DBXPAWCQSA-N 334.456 0.729 0 50 ECAA C[C@@H](CS(C)(=O)=O)NCc1ccnc(N2CCN(C)CC2)c1 182467954 PCCSVVLCQSTLHD-ZDUSSCGKSA-N 326.466 0.356 0 50 ECAA CCCNC(=O)CNC(=O)[C@@H]1CCCN1C(=O)Cc1ccccc1 299212006 HDVCXYQVYZZVHG-HNNXBMFYSA-N 331.416 0.863 0 50 ECAA Cc1ccccc1[C@@H](CNC(=O)NCCNS(C)(=O)=O)N(C)C 534660389 MCZDFYSXKYJDPJ-CQSZACIVSA-N 342.465 0.446 0 50 ECAA Cc1nn(C(C)C)c(C)c1C(=O)N1C[C@H](O)[C@@H](N2CCN(C)CC2)C1 299799773 ZYSAEFNKZAUAKI-HOTGVXAUSA-N 349.479 0.514 0 50 ECAA O=C(Cn1cccn1)N1CCCN(C(=O)c2n[nH]c3c2CCC3)CC1 940270956 UGZUHPBQVCVDKO-UHFFFAOYSA-N 342.403 0.470 0 50 ECAA C[C@H]1CN(S(=O)(=O)N2CC(O)(c3ccc(F)cc3)C2)CCO1 170087514 ZTOLOBRLPNODDF-NSHDSACASA-N 330.381 0.294 0 50 ECAA Cn1cc(CN2CCC[C@](O)(CC(N)=O)C2)c(-c2ccncc2)n1 643746732 SWACJHYVWVKLAG-KRWDZBQOSA-N 329.404 0.684 0 50 ECAA Cc1noc(COC2CN(C(=O)[C@@H]3CCn4c(cnc4C)C3)C2)n1 644204311 NWQZPFGIEXMDQA-GFCCVEGCSA-N 331.376 0.873 0 50 ECAA CN(C)c1noc(CNC(=O)CC2(N3CCOCC3)CCCC2)n1 193888738 RTQVVGPWWPPZGJ-UHFFFAOYSA-N 337.424 0.787 0 50 ECAA COC[C@]1(C(N)=O)CCCN1Cc1nn(C)cc1Br 643822532 WAYSZYZQSOSRSQ-LBPRGKRZSA-N 331.214 0.649 0 50 ECAA CCn1cc(C(=O)N2CCCN(CCN3CCOCC3)CC2)cn1 1772805978 SFRZLCWYKAVRPG-UHFFFAOYSA-N 335.452 0.383 0 50 ECAA Cc1cc(=O)c2ccccc2n1CC(=O)N1CCOC[C@@H](C(=O)O)C1 1775982375 UELCAXYEIAAUOT-ZDUSSCGKSA-N 344.367 0.870 0 50 ECAA CC(C)N1CCC(C(=O)N2CC[C@H](O)[C@@]3(CCCNC3=O)C2)CC1 1857693327 RMKUCMCBDVKFRG-MAUKXSAKSA-N 337.464 0.596 0 50 ECAA N=c1nc(C2CCN(C(=O)[C@H]3CCc4ncnn4C3)CC2)cc[nH]1 1857708437 UNBPNMURONLFTP-LBPRGKRZSA-N 327.392 0.449 0 50 ECAA O=C(c1ncccc1O)N1CCC([C@H](O)CN2CCOCC2)CC1 1857714952 UNINLGFWXBLTCK-OAHLLOKOSA-N 335.404 0.333 0 50 ECAA O=C(O)C[C@@H]1CN(S(=O)(=O)c2c[nH]c3ncccc23)CCO1 387548224 YDUXMDDIEKNNQG-SECBINFHSA-N 325.346 0.427 0 50 ECAA C[C@H](NC(=O)NC[C@H]1COCCO1)c1ccc(N2CCNC2=O)cc1 825737775 MPXRXZJNIHAEND-WFASDCNBSA-N 348.403 0.992 0 50 ECAA CCc1noc([C@@H](C)N2CC3(CN(C(=O)c4ccon4)CCO3)C2)n1 952894943 PQOPMVOTIHDZQO-LLVKDONJSA-N 347.375 0.908 0 50 ECAA O=C1NCCn2c(CCNC(=O)[C@H]3C[C@@H]3C3CCCCC3)nnc21 952880277 DSIXVIRJVBZPQP-OLZOCXBDSA-N 331.420 0.897 0 50 ECAA CC(=O)N[C@@H](C)[C@@]1(O)CCN(C(=O)c2ccc3oc(=N)[nH]c3c2)C1 1875337524 WYHUZCNXKMOQII-XXFAHNHDSA-N 332.360 0.342 0 50 ECAA Cn1ccc(-c2n[nH]cc2CN[C@@H]2C[C@H](Cn3cccn3)C[C@H]2O)n1 1875399707 HSSYFIJEZIVCEB-APHBMKBZSA-N 341.419 0.936 0 50 ECAA COC(=O)c1cc(COC(=O)c2c[nH]nc2-c2ccnn2C)on1 1875357428 HFVYNBDIEIHWPH-UHFFFAOYSA-N 331.288 0.942 0 50 ECAA O=C(O)[C@@H]1Cc2c(F)cccc2CN1C(=O)C1=NN2CCCN=C2N1 1875344270 AGWBQCBQDHABFQ-LBPRGKRZSA-N 345.334 0.142 0 50 ECAA Cc1ccc(CS(=O)(=O)N[C@@H]2CNC[C@@H]2n2ccnn2)cc1C 886074562 CVBAVWVOGWVHFO-CABCVRRESA-N 335.433 0.527 0 50 ECAA COCc1cc(CNC[C@@H]2OCCN(C)[C@H]2c2ccnn2C)no1 886074694 OQJOMCYYYGRNIJ-HOTGVXAUSA-N 335.408 0.716 0 50 ECAA CC(=O)N1CCCc2ccc(S(=O)(=O)NCc3cnon3)cc21 1776005617 MASXWKCJRJOIFI-UHFFFAOYSA-N 336.373 0.847 0 50 ECAA Cc1ccccc1NC(=O)Cn1cc(C2(S(N)(=O)=O)CCC2)nn1 2325821356 IDAFIUMTTKEOLG-UHFFFAOYSA-N 349.416 0.893 0 50 ECAA O=C(O)CSc1cccc2c1C(=O)N([C@H]1CCC(=O)NC1=O)C2=O 2325901601 MUILBFLVLTWAKE-QMMMGPOBSA-N 348.336 0.265 0 50 ECAA Cc1ncc2c(n1)[C@@]1(CCCN(C(=O)CCn3cnnn3)C1)CC2 2356153681 QNQMHOHYWFGMGX-INIZCTEOSA-N 327.392 0.668 0 50 ECAA CN=c1[nH]c(C(=O)N2CCC[C@@]23CCCN(CCO)C3=O)cs1 2356167207 VGHKLMMQYXAPBA-OAHLLOKOSA-N 338.433 0.196 0 50 ECAA CS(=O)(=O)N(CC(=O)N1CCOCC1)c1ccc(F)c(F)c1 6730522 MTSMGXZVGPNSQO-UHFFFAOYSA-N 334.344 0.590 0 50 ECAA CS[C@H](CO)[C@H](C)NS(=O)(=O)c1ccc2nc(O)oc2c1 416436337 CMRVIFIWKJHTHT-WRWORJQWSA-N 332.403 0.924 0 50 ECAA COc1ccc(NC(=O)N2CCN3CCNC(=O)[C@H]3C2)cc1OC 65461123 VDXRIYDGIWDONI-GFCCVEGCSA-N 334.376 0.352 0 50 ECAA NC(=O)c1cnc2n1CCN(C(=O)CCc1n[nH]c3c1CCCC3)C2 67820103 HTZVENXVBXKLRL-UHFFFAOYSA-N 342.403 0.559 0 50 ECAA CCC(CO)(CO)NC(=O)c1cc(COc2ccccc2F)[nH]n1 67723462 QRAZNLWULUFIDJ-UHFFFAOYSA-N 337.351 0.991 0 50 ECAA CN1C[C@@H]2CC[C@H](CC1=O)N2C(=O)c1ccc2c(c1)N(C)C(=O)CO2 67513945 USTHSLGNSCJAQB-OLZOCXBDSA-N 343.383 0.877 0 50 ECAA COc1ccccc1OCc1cc(C(=O)N[C@H]2CCNC2=O)n[nH]1 67541788 NFCLJHIQSQFMGV-NSHDSACASA-N 330.344 0.616 0 50 ECAA CN1CC2(CCN(C(=O)CCc3cc(O)no3)CC2)C[C@H]1C(=O)O 72152036 LSLLJALIXBNZJU-LBPRGKRZSA-N 337.376 0.710 0 50 ECAA Cc1cc(C(=O)O)ccc1S(=O)(=O)Nc1cnn(CC(N)=O)c1 323633803 QUDBBEGCMVMHGA-UHFFFAOYSA-N 338.345 0.176 0 50 ECAA CN1CCC[C@H](CN(C)C(=O)c2ccc(S(N)(=O)=O)cn2)C1 330686472 SLUPUHMSNYSCKW-NSHDSACASA-N 326.422 0.143 0 50 ECAA Cc1ncnc(NCC[C@@H]2CN(c3cnn(C)c(=O)c3)CCO2)c1C 77298873 OWJOUKQOMASGCO-OAHLLOKOSA-N 344.419 0.895 0 50 ECAA O=C(c1ccc(CN2C(=O)CNC2=O)cc1)N1CCO[C@H](C2CC2)C1 368887093 GIVXTISCIWUTFW-HNNXBMFYSA-N 343.383 0.989 0 50 ECAA C[C@H]1[C@H](C)S(=O)(=O)CCN1C(=O)NC[C@@H](C)CN1CCOCC1 333013292 BOIDMZIAPQJAIR-RDBSUJKOSA-N 347.481 0.172 0 50 ECAA C[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N[C@H]2CCNC2)C1=O 127855818 FPIYWRYPPJNMDI-LRDDRELGSA-N 334.351 0.071 0 50 ECAA Cn1ccnc1CN1CCOC[C@@H]1CC(=O)NCCn1cccn1 72410510 IURYQIGNFLKHAI-AWEZNQCLSA-N 332.408 0.024 0 50 ECAA C[C@@H]1OCC[C@H]1S(=O)(=O)N1CCN(Cc2cnn(C)c2)CC1 333557073 QXUZZWYSVZMGCX-GXTWGEPZSA-N 328.438 0.045 0 50 ECAA Nc1nc2c(c(N3CCC(CN4CCCC4=O)CC3)n1)CCNCC2 72477206 FYBSNXYGVFHEOE-UHFFFAOYSA-N 344.463 0.586 0 50 ECAA Cc1ccc(C(=O)N2CCO[C@H](C(=O)O)C2)cc1S(C)(=O)=O 262933789 GSDYREVTPGFCLS-NSHDSACASA-N 327.358 0.324 0 50 ECAA O=C1C[C@@H](NCc2ccc3cn[nH]c3c2)CN1CCN1CCOCC1 178903892 WEBZHCRXSHYNCL-MRXNPFEDSA-N 343.431 0.586 0 50 ECAA Cc1n[nH]c(CCC(=O)N2CCC3(CC2)NC(=O)C[C@@H]3C(=O)O)c1C 91325662 QHFPHXXRDXPETD-GFCCVEGCSA-N 348.403 0.541 0 50 ECAA O=C(c1cn[nH]c1)N1CCN(CCOCc2ccccc2)C[C@@H](O)C1 97733070 HVPMHRKCCJGCOY-QGZVFWFLSA-N 344.415 0.745 0 50 ECAA Cc1nc(CN2C[C@H]3CN(C(=O)C4CCCC4)C[C@@]3(C(=O)O)C2)no1 91320292 VAMCZQHKVAMBFS-GUYCJALGSA-N 348.403 0.913 0 50 ECAA O=C(c1cc2c([nH]c1=O)CCCC2)N1CC[C@@]2(CCCNC2=O)C1 91665316 UXDYVUFSBQJOFQ-SFHVURJKSA-N 329.400 0.996 0 50 ECAA O=C(O)[C@@H]1CN(C(=O)c2cccnc2OCC(F)(F)F)CCO1 299742244 AVGGEDRHJIZBGI-VIFPVBQESA-N 334.250 0.948 0 50 ECAA COCCS(=O)(=O)N1C[C@@H](CO)[C@H](c2cnn(C(C)C)c2)C1 299745303 XTVPJYFPDUSVCH-KBPBESRZSA-N 331.438 0.448 0 50 ECAA COC(=O)c1cn(C[C@H](O)c2ccc(O)cc2)cc2c(=O)[nH]nc1-2 263588851 ZFRYUEOBEYBLMK-ZDUSSCGKSA-N 329.312 0.902 0 50 ECAA CCOCC(=O)N1CCC(C(=O)NCc2nnc(N)s2)CC1 299783400 XVWDUJPJANINFP-UHFFFAOYSA-N 327.410 0.012 0 50 ECAA CN(C)C(=O)N1CCC(C(=O)NCCCN2CCC[C@@H](O)C2)CC1 670444196 ZFLSXTAYLRRVCS-OAHLLOKOSA-N 340.468 0.343 0 50 ECAA CCOc1cc(C(=O)N(CCOC)[C@@H]2CCS(=O)(=O)C2)[nH]n1 1361939369 BFDUNKRUZGKKMY-SNVBAGLBSA-N 331.394 0.084 0 50 ECAA NC(=O)CN1CCC[C@@H](C(=O)N2CCC[C@H](c3cc(O)ncn3)C2)C1 952984236 ZCOORHATSFHGIV-QWHCGFSZSA-N 347.419 0.086 0 50 ECAA Cc1nn(C(C)C)c(C)c1C(=O)N[C@H]1CCOC[C@@H]1OCCO 1565530150 XXCYCMGFJUOQQT-KBPBESRZSA-N 325.409 0.977 0 50 ECAA CC1CCN(C[C@H](O)CNc2ncc(S(N)(=O)=O)s2)CC1 301513563 CABBDZIDBGCCHE-SNVBAGLBSA-N 334.467 0.295 0 50 ECAA CCO[C@H]1C[C@H](NC(=O)N[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)C1 661180144 DZWNOPMHIALROL-JHJVBQTASA-N 348.469 0.124 0 50 ECAA Cc1cc(F)cc(C(=O)N2CCCN(C(=O)CNC(N)=O)CC2)c1 1529167631 OUXKLNUTGDOXJN-UHFFFAOYSA-N 336.367 0.477 0 50 ECAA O=C(CCc1ccc(O)nn1)N[C@H]1COC[C@H]1Cc1ccncc1 1704343680 XYQPXTGFBAQHQK-HIFRSBDPSA-N 328.372 0.884 0 50 ECAA CN(Cc1nc2ccc(F)cc2[nH]1)C(=O)c1cnc(C(N)=O)cn1 1772703102 BQMGGLCFZUUVAY-UHFFFAOYSA-N 328.307 0.863 0 50 ECAA O=C(c1cn2c(n1)CCNCC2)N1CCO[C@H](c2ccccn2)C1 1857724794 DBERTQQSBPTRLS-HNNXBMFYSA-N 327.388 0.638 0 50 ECAA NC(=O)c1cn([C@H]2CCN(c3ncccc3Br)C2)nn1 643759380 YHHIZWHRTRZEPL-QMMMGPOBSA-N 337.181 0.986 0 50 ECAA CNS(=O)(=O)[C@H]1CCCN(C(=O)Cc2n[nH]c3ccccc23)C1 361107563 QFBJIUKHRDPTCB-NSHDSACASA-N 336.417 0.646 0 50 ECAA O=C(CN1CCc2nc[nH]c2[C@H]1c1ccccc1)N1CCNC1=O 931794303 VSIJTIAOLVTFMR-MRXNPFEDSA-N 325.372 0.909 0 50 ECAA Cc1cc(C)n(CCN2Cc3nnc(C)n3C[C@H]2C(=O)N(C)C)n1 934742411 CKDCBLUYIRHUKB-AWEZNQCLSA-N 331.424 0.372 0 50 ECAA COc1cccc(CNC[C@@H]2OCCN(C)[C@H]2c2cncn2C)n1 952887509 QSWAJESBBGAILC-RDJZCZTQSA-N 331.420 0.985 0 50 ECAA C[C@@H](CF)NC(=O)c1ccc2c(c1)CN([C@H]1CCC(=O)NC1=O)C2=O 1875294741 VMKQJYDXSKOMOL-ZANVPECISA-N 347.346 0.535 0 50 ECAA O=C(c1cn([C@@H]2COC[C@H]2O)nn1)N1CCOCC2(CCCC2)C1 888093711 PLDFHNGWZMHNDT-ZIAGYGMSSA-N 336.392 0.243 0 50 ECAA Cc1cc(C2(NC(=O)C3CCN(CCN)CC3)CCOCC2)on1 2325778868 TYCQAWAWXKQXGB-UHFFFAOYSA-N 336.436 0.776 0 50 ECAA Cc1cc(CCC(=O)N2CC(n3cnc4c(N)ncnc43)C2)n[nH]1 2325826767 MFDSRUDOVNPYKV-UHFFFAOYSA-N 326.364 0.456 0 50 ECAA N=c1[nH]cnc2cc(C(=O)NCCn3cnc4c(N)ncnc43)ccc12 2325854284 WBWCGHMXXKHRJL-UHFFFAOYSA-N 349.358 0.194 0 50 ECAA 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349.412 0.933 0 50 ECAA COc1ccc(CNC(=O)C2CCN(S(C)(=O)=O)CC2)cc1 261828 CUMGBDYSUJEERP-UHFFFAOYSA-N 326.418 0.983 0 50 ECAA biogenic O=C(CCC(=O)NC1CCCC1)NCCCN1CCC(O)CC1 55252213 NRTPTYSTQIKFIX-UHFFFAOYSA-N 325.453 0.788 0 50 ECAA CCCN1C[C@H](NC(=O)c2ccc(Cn3cnnn3)cc2)CC1=O 65434796 RSNGVOGCUYIOKW-CQSZACIVSA-N 328.376 0.462 0 50 ECAA O=C(CCn1ccc(=O)[nH]c1=O)NCCCn1ncc2ccccc21 215816145 YXNQPOYKQSYBLT-UHFFFAOYSA-N 341.371 0.483 0 50 ECAA Cc1nc(N2CCCC2)cc(N2CCN(S(C)(=O)=O)CC2)n1 33318383 LVNRSJDYMUUJTK-UHFFFAOYSA-N 325.438 0.467 0 50 ECAA CCn1cnnc1C1CCN(CCN2CCCS2(=O)=O)CC1 328685358 XIUSQKGQTFQATI-UHFFFAOYSA-N 327.454 0.513 0 50 ECAA COC[C@@H](NC(=O)c1nc2ccccc2c(=O)[nH]1)c1ccnn1C 219302691 AEDKTPBURUGCBC-GFCCVEGCSA-N 327.344 0.774 0 50 ECAA Cn1cc([C@H](NC(=O)c2ccc3[nH]nnc3c2)[C@H]2C[C@H](O)C2)cn1 219300512 QKBZGWOFPIHWTO-IFUGULHKSA-N 326.360 0.933 0 50 ECAA Nc1cc(N2CCC3(CC2)C[C@@H](C(=O)O)N(C(=O)C2CC2)C3)ncn1 72420491 PFPRMGMYNFPUOC-LBPRGKRZSA-N 345.403 0.741 0 50 ECAA NC(=O)c1ccc(O[C@@H]2COCC[C@H]2NC(=O)CN2CCCC2)cc1 223932542 ZIBWDTBXENIFLB-HZPDHXFCSA-N 347.415 0.534 0 50 ECAA C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)[C@H]1CCCN(S(C)(=O)=O)C1 242167717 WYXNDKNAVAAGQT-HZSPNIEDSA-N 331.482 0.457 0 50 ECAA CCCCOCC(=O)N1CCn2nc([C@H](O)c3ccnn3C)cc2C1 223155544 RFVYKYFECMYUNX-KRWDZBQOSA-N 347.419 0.857 0 50 ECAA CCc1n[nH]c(SCC(=O)N2CCN(c3cnccn3)CC2)n1 43892450 QGQNVFSUCVJERV-UHFFFAOYSA-N 333.421 0.598 0 50 ECAA CC(=O)N1CCN(C(=O)Cn2cnc3scc(C)c3c2=O)CC1 289672543 YTHLFJGOUZMJTH-UHFFFAOYSA-N 334.401 0.457 0 50 ECAA O=C([C@@H]1CC(=O)N(C2CC2)C1)N1CCN(Cc2cccnc2)CC1 44012326 HPDBJGCURVMLAO-OAHLLOKOSA-N 328.416 0.737 0 50 ECAA Cc1ncc(C(=O)N[C@@H]2CCN(Cc3csc(C)n3)C[C@H]2O)cn1 426548966 ZRGZCDVERUNNCP-HUUCEWRRSA-N 347.444 0.915 0 50 ECAA CSCc1noc(CN2CCC3(CC2)NC(=O)C[C@@H]3C(=O)O)n1 95359444 HBUXUQQJBOVNPR-SECBINFHSA-N 340.405 0.488 0 50 ECAA CC(C)(C)N1C[C@@H](C(=O)N2CCN(C(=O)c3ccc[nH]3)CC2)CC1=O 91254928 XNTBLSRUOVQERU-ZDUSSCGKSA-N 346.431 0.946 0 50 ECAA CN(Cc1nc(-c2ccncc2)no1)C(=O)CC[C@H]1NC(=O)NC1=O 91807302 KHDKPQFUDBXJNR-SNVBAGLBSA-N 344.331 0.078 0 50 ECAA Cc1nc(C)c(CC(=O)N2C[C@H](CO)[C@H](CN(C)CCO)C2)s1 91526463 YUAYMKBTNXTCRS-ZIAGYGMSSA-N 341.477 0.293 0 50 ECAA COCCN(C)C[C@H]1C[C@H](CO)CN(c2ccc(C(=O)O)cn2)C1 91391300 NIONPVWLKZGJGI-KGLIPLIRSA-N 337.420 0.793 0 50 ECAA CN1C(=O)[C@H](CC(=O)NCCN2CCCc3ccccc32)N(C)C1=O 97675533 QSXXAXDDLGKGHQ-HNNXBMFYSA-N 344.415 0.838 0 50 ECAA Cn1cc(CCCNC(=O)[C@H]2CC(=O)N(Cc3ccccn3)C2)cn1 95523537 BOWLTUKLIQLQOV-HNNXBMFYSA-N 341.415 0.913 0 50 ECAA CCS(=O)(=O)N1CC[C@@]2(CCCN(C3CCOCC3)C2=O)C1 92028599 METSTKOUXBCIGF-HNNXBMFYSA-N 330.450 0.830 0 50 ECAA COc1cccc2c1OC[C@@H](NS(=O)(=O)N1CCN(C)CC1)C2 824804686 FIKBUTIRBBEDNG-ZDUSSCGKSA-N 341.433 0.081 0 50 ECAA NC(=O)c1nc(CNC(=O)N2CCCC[C@@H]2CCn2ccnc2)no1 584897003 DAYDVKHEKKQGMA-LLVKDONJSA-N 347.379 0.519 0 50 ECAA O=C(c1cc(S(=O)(=O)NCCc2cnoc2)c[nH]1)N1CCCC1 1414329454 JSRJEKDFSHOWMI-UHFFFAOYSA-N 338.389 0.760 0 50 ECAA CN(CC[C@H](O)c1ccccc1)C(=O)[C@@H]1CCCN(CC(N)=O)C1 952862324 OTOVTAQIZQDUBX-CVEARBPZSA-N 333.432 0.766 0 50 ECAA CCC(=O)N1CC[C@@H](NC(=O)Nc2ccc(S(C)(=O)=O)nc2)C1 268496337 QLCZJKGTIBGGTP-LLVKDONJSA-N 340.405 0.618 0 50 ECAA Cc1cc(C(=O)N(CC(=O)O)C2CC2)cc(S(N)(=O)=O)c1C 268935681 GFXZGVWWDIZMJU-UHFFFAOYSA-N 326.374 0.640 0 50 ECAA C[C@H]1CN(C(=O)CN2CCN(c3cc(C4CC4)n[nH]3)CC2)CCO1 189730031 MHCOGTKKZVYWLM-ZDUSSCGKSA-N 333.436 0.656 0 50 ECAA CCn1cnc2c(N3CCC[C@](O)(CC(=O)N(C)C)C3)ncnc21 643719525 CDOWXMDPJRKEHN-INIZCTEOSA-N 332.408 0.656 0 50 ECAA CCCCn1c(=O)[nH]c(=O)c2c1nc(Cn1nnc(C3CC3)n1)n2C 193608490 GVFWWJFDLKWWET-UHFFFAOYSA-N 344.379 0.136 0 50 ECAA Cn1cc([C@@H](O)C[C@H]2CCCN2S(=O)(=O)N2CCCC2)cn1 766850782 JBRMVGCTWASBTD-KGLIPLIRSA-N 328.438 0.649 0 50 ECAA Nc1cnn(CC(=O)N[C@@H]2CCOC[C@H]2OCc2ccccc2)c1 222438080 HITSATNFGKASCD-HZPDHXFCSA-N 330.388 0.956 0 50 ECAA O=C(CN1CCCCCC1)N1CCCN(CCn2cnnc2)CC1 1704350245 HHARJIGBQYECBT-UHFFFAOYSA-N 334.468 0.688 0 50 ECAA O=C(CCS(=O)(=O)c1ccccc1)N1CCC([C@H](O)CO)CC1 1772701941 AWJXKJFMAUBVDC-OAHLLOKOSA-N 341.429 0.442 0 50 ECAA CC(C)(C)CN1CCC[C@@](O)(CN2CCNC(=O)C2(C)C)C1=O 14971654 AZRMYQYTVNDBBY-QGZVFWFLSA-N 325.453 0.596 0 50 ECAA CC1(C(=O)N2CC[C@H](O)[C@@](CO)(Cc3ccc(F)cc3)C2)COC1 1857734507 UJUVBGRJTCAYMM-YJBOKZPZSA-N 337.391 0.977 0 50 ECAA O=C(c1cc(-c2ccccn2)[nH]n1)N1CC[C@@]23OCCN2C(=O)C[C@@H]13 1857737393 KJWSPVGKLSIFQF-PBHICJAKSA-N 339.355 0.645 0 50 ECAA CCC[C@@]1(CO)CN(C(=O)c2c[nH]c3cc(C)nn3c2=O)CC[C@H]1O 1875248172 ATTFBGGUUBGPRJ-DYVFJYSZSA-N 348.403 0.317 0 50 ECAA N=C(O)N[C@@H](CO)C(=O)N1CCO[C@H](c2ccc(F)cc2Cl)C1 331082510 MKFWVYNMSPXYOP-RYUDHWBXSA-N 345.758 0.822 0 50 ECAA COC[C@@H](N)C(=O)N1CCC(n2cc(Br)cn2)CC1 262169973 APLDOQVLUYKSAG-LLVKDONJSA-N 331.214 0.783 0 50 ECAA CN(C)c1cccc(CNC(=O)c2coc(CN3CC[C@H](O)C3)n2)n1 907126358 QXROSFVMJDRTRN-ZDUSSCGKSA-N 345.403 0.632 0 50 ECAA O=C1CN(CC(=O)N2CCCC[C@@H]2[C@@H](O)c2ccccc2)CCN1 912095593 RAONYFOEWZZGKQ-QAPCUYQASA-N 331.416 0.533 0 50 ECAA O=S(=O)(N1CCNCC1)N1CCCC[C@@H](C2CCOCC2)C1 923674399 LLHQTUGHAVFTOB-OAHLLOKOSA-N 331.482 0.665 0 50 ECAA CNc1cnc(C(=O)N2Cc3nnc(C)n3C[C@H]2CN(C)C)cn1 952848135 CBRKDLFLPIDDQI-LLVKDONJSA-N 330.396 0.004 0 50 ECAA O=C1COC(c2ccc(NC(=O)N3CCN4CC[C@H]3C4)cc2)=NN1 1875296611 GBYPYOQYEXPMCO-ZDUSSCGKSA-N 329.360 0.416 0 50 ECAA C[C@@H](O)[C@@H](NC(=O)Cn1cnc2sccc2c1=O)C(F)(F)F 1875313283 ODXHZHCXRHLFNB-HZGVNTEJSA-N 335.307 0.886 0 50 ECAA CCC[C@@H](O)C(=O)N[C@@H](C)CNC(=O)COc1ccccc1F 1875345297 VEIHVUUXGYGWQR-WCQYABFASA-N 326.368 0.986 0 50 ECAA C[C@H](C(=O)NS(=O)(=O)c1cnccn1)n1ccc(C(F)(F)F)n1 1875313858 ZCEIFGZRAQSPCG-SSDOTTSWSA-N 349.294 0.758 0 50 ECAA Cc1nnc2ccc(N3CCN(C(=O)[C@@H]4CCCOCC4)CC3)nn12 886068598 PIFWRBOHYJHBEW-CQSZACIVSA-N 344.419 0.898 0 50 ECAA O=C(O)c1ccn(-c2cccc(NC(=O)[C@H]3CCS(=O)(=O)C3)c2)n1 1771623984 BTRVMIYYVRMBRV-JTQLQIEISA-N 349.368 0.944 0 50 ECAA CCOC(=O)c1c[nH]nc1S(=O)(=O)N1CC[C@H]2CC[C@H](O)[C@H]1C2 1775987991 PPKHYZSNOLSUEA-JLLWLGSASA-N 343.405 0.510 0 50 ECAA 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0.181 0 50 ECAA Cc1cc(C(=O)N2CCO[C@@H](c3nnnn3C)C2)nn1C(F)F 2100539690 UJNQERMRWWZHQH-SECBINFHSA-N 327.295 0.324 0 50 ECAA Cn1nnc([C@@H]2CN(C(=O)CCCOc3ccccc3)CCO2)n1 2100545283 MWYABGGXFBEHEQ-AWEZNQCLSA-N 331.376 0.969 0 50 ECAA Cn1nnnc1[C@H]1CN(c2ncccc2C(=O)N2CCCC2)CCO1 2100545311 OJCSNCITYWVMRY-CYBMUJFWSA-N 343.391 0.419 0 50 ECAA COC(=O)CNC(=O)c1cc2c(=O)n3cc(C)ccc3nc2n1C 12421583 NOWGVOGGRXCUNI-UHFFFAOYSA-N 328.328 0.397 0 50 ECAA O=C(O)C1(Cc2cn(C[C@@H]3C[C@@H]4OCC[C@@H]4O3)nn2)CCNCC1 2325829744 RBELGUACOADPSB-IHRRRGAJSA-N 336.392 0.221 0 50 ECAA COC(=O)C[C@@H]1[C@H](C(=O)OC)C(=O)C(=O)N1Cc1ccc(OC)cc1 100101886 GMQVWZHGNZUBTJ-OCCSQVGLSA-N 349.339 0.327 0 50 ECAA Nc1nc(N2CCC3(CC2)NC(C2CC2)=NC3=O)c2cn[nH]c2n1 55575862 PWRGGGWCECLZBV-UHFFFAOYSA-N 326.364 0.212 0 50 ECAA CCS(=O)(=O)N1CCC[C@H](C(=O)N2C[C@H](CO)OC(C)(C)C2)C1 421938886 WRPYBCYIISNFID-QWHCGFSZSA-N 348.465 0.046 0 50 ECAA Cc1nn(CCNC(=O)Cn2nc(O)ccc2=O)c(C)c1Cl 67643700 KXXFQCSEYITNCF-UHFFFAOYSA-N 325.756 0.232 0 50 ECAA Cc1nc(NC(=O)c2cccc(CN3CCC[C@H]3C(N)=O)c2)n(C)n1 67674831 RXJCQARYVQXQJD-AWEZNQCLSA-N 342.403 0.826 0 50 ECAA COc1ccc(F)c(CN2CCC[C@@](O)(CNCCO)C2=O)c1 67688913 UTEUGAVFCMVWHS-MRXNPFEDSA-N 326.368 0.270 0 50 ECAA O=C1NC[C@@]2(CCCN(C(=O)c3ccccc3-c3nnn[nH]3)C2)O1 72170209 PVZRTKDPHKXKKF-OAHLLOKOSA-N 328.332 0.581 0 50 ECAA CC[C@@H]1CN2CCC[C@H]2CN1S(=O)(=O)N(C)C1CCOCC1 257366257 POYFYPVOWNMBJQ-HIFRSBDPSA-N 331.482 0.901 0 50 ECAA CCOC(=O)[C@H](NC(=O)[C@@H]1CCCCC(=O)N1)C1CCOCC1 332324077 PCLGZXWRNANGLD-GXTWGEPZSA-N 326.393 0.520 0 50 ECAA O=C1NC[C@@]2(C(=O)O)CN(S(=O)(=O)c3ccccc3Cl)C[C@@H]12 72469425 GOFONFIVQVJQKU-ISVAXAHUSA-N 344.776 0.161 0 50 ECAA COC[C@@H]1CN(C(=O)CNC(=O)c2cccc(Cl)c2)CCO1 172626041 AQWZFMRUGLMWMG-ZDUSSCGKSA-N 326.780 0.944 0 50 ECAA CN(C)C/C=C/C(=O)N[C@H]1CCN(C(=O)COc2ccccc2)C1 282395370 DVRRWPGQOXCPRF-PPYMECGQSA-N 331.416 0.900 0 50 ECAA CC(C)c1noc(CN2CC[C@@H](NC(=O)c3ccccn3)[C@H](O)C2)n1 77436761 DDKIDKVHHOCVCZ-TZMCWYRMSA-N 345.403 0.953 0 50 ECAA Cc1nc(-c2ccc(CNC(=O)C[C@@H]3NC(=O)NC3=O)cc2)no1 216363785 RLYYOAYWAQXALB-NSHDSACASA-N 329.316 0.259 0 50 ECAA N[C@@H]1CCN(C(=O)Cc2cc3c(cc2Cl)OCCO3)C[C@H]1O 82155918 KQABNVYIMRFRMW-VXGBXAGGSA-N 326.780 0.574 0 50 ECAA CCc1ccc(C(=O)NCCN2CCN(c3ncccn3)CC2)[nH]1 426612382 JDZUSHAASZLGAS-UHFFFAOYSA-N 328.420 0.919 0 50 ECAA CNc1nc(C)cc(N2C[C@H](CO)[C@H](CN3CCC(CO)CC3)C2)n1 95387667 COYBEZMAEVSZOE-HZPDHXFCSA-N 349.479 0.576 0 50 ECAA CN(C)S(=O)(=O)CCNC(=O)c1ccc(-c2c[nH]ccc2=N)cc1 426653017 VFSKNUYCUDDZGU-UHFFFAOYSA-N 348.428 0.782 0 50 ECAA CNc1nc(C(=O)N2CCC3(CC2)NC(=O)C[C@H]3C(=O)O)cs1 91519072 AHKRSMBKKGAIOB-QMMMGPOBSA-N 338.389 0.380 0 50 ECAA COC(=O)NCC(=O)N1C[C@H]2CC[C@@H]1CN(C(=O)c1ccccn1)C2 91519030 NNWIRPNRBCRSJM-QWHCGFSZSA-N 346.387 0.501 0 50 ECAA CNc1ccnc(N2CCN(C(=O)c3ccoc3)C[C@@H](C(=O)O)C2)n1 97609966 UUUAYLCFFZQKCK-GFCCVEGCSA-N 345.359 0.775 0 50 ECAA CCN(Cc1nc(COC)no1)C(=O)C[C@@H](C)N1CCOCC1 252483923 FLBLVHIHUJIIHS-GFCCVEGCSA-N 326.397 0.675 0 50 ECAA Cc1oc(CN(C)C(=O)[C@H]2CCCN2S(C)(=O)=O)cc1C(=O)O 299748516 HIIJGWBOXXTLCW-GFCCVEGCSA-N 344.389 0.669 0 50 ECAA Cc1cc(C)n(-c2cncc(N3CC[C@H]4[C@@H](C3)NC(=O)N4C)n2)n1 299740577 AFCOTEMWABBAAH-OLZOCXBDSA-N 327.392 0.881 0 50 ECAA CC(C)c1n[nH]c2c1CN(C(=O)c1cc(=O)n(C)c(=O)n1C)CC2 32577691 OPPFQAQKGCTWEW-UHFFFAOYSA-N 331.376 0.129 0 50 ECAA CCCc1cc(C(=O)N2CC[C@H]3OCc4cnnn4[C@H]3C2)n(C)n1 299771383 WAMOJGZXWUXUNE-LSDHHAIUSA-N 330.392 0.950 0 50 ECAA O=C1CCCCCN1CC(=O)N1CC[C@H]2OCc3cnnn3[C@H]2C1 299799206 DSVNPVNSXAXDHW-UONOGXRCSA-N 333.392 0.353 0 50 ECAA NC(=O)[C@H]1C(=O)N(CCCO)[C@@]23CCOC[C@H]2[C@H]1c1ccccc1O3 828752918 PWIVPAXDYPHKIN-WLLUSJSYSA-N 346.383 0.222 0 50 ECAA biogenic CNC(=O)[C@H]1CC(=O)N(C2CN(Cc3c4c(nn3C)CCCC4)C2)C1 685941156 TUUKOTYOLYZWIK-LBPRGKRZSA-N 345.447 0.078 0 50 ECAA CN(C)CCO[C@H]1COCC[C@@H]1NC(=O)Cc1n[nH]c2ccccc12 1565527744 NTOYUJJXWKNBQK-RDJZCZTQSA-N 346.431 0.957 0 50 ECAA CCCCNC(=O)NCCc1ccc(OC)c(S(N)(=O)=O)c1 170591437 FSAQBQYQMNDIPV-UHFFFAOYSA-N 329.422 0.984 0 50 ECAA CC(=O)Nc1cccc(OCCN2C(=O)[C@@H]3COCCN3C2=O)c1 170592538 SMRNHIZVNLPOFV-AWEZNQCLSA-N 333.344 0.687 0 50 ECAA COCCN(C)c1ccc(CN2CCC[C@@](O)(CC(N)=O)C2)cn1 643746943 YOSXIAHUGADXRW-QGZVFWFLSA-N 336.436 0.367 0 50 ECAA COC[C@@]1(C(=O)O)CCCN1CC(=O)NCc1ccc(OC)cc1 643880113 HDBXSMSEQCKZIB-QGZVFWFLSA-N 336.388 0.877 0 50 ECAA O=C(CCN1CC[C@](O)(Cn2ccnn2)C1)N1CCc2ccccc21 671550631 AUTMVVYTOLETRX-GOSISDBHSA-N 341.415 0.694 0 50 ECAA O=C(c1ccncc1C(F)(F)F)N1CC[C@](O)(Cn2ccnn2)C1 671604607 CUFUIIOXUAVTOL-CYBMUJFWSA-N 341.293 0.969 0 50 ECAA O=C1CC[C@@H]2CN(S(=O)(=O)N3CCCC3)CC[C@@H]2N1CCCO 216954585 YXSMZROMWLYCHN-KGLIPLIRSA-N 345.465 0.022 0 50 ECAA CC[C@]1(O)CCN(c2cc(C(=O)N3CCN(C)CC3)ccn2)C[C@@H]1O 222430212 PMWBDUICORHDAX-YJBOKZPZSA-N 348.447 0.181 0 50 ECAA CN1C[C@@H]2COC[C@H](C1)N(C(=O)c1ccccc1-n1cncn1)C2 1704308417 QSHIOWGOEZSDDI-KBPBESRZSA-N 327.388 0.670 0 50 ECAA CN1CC[C@@H]2CN(C(=O)CN3CCc4ccccc4C3)C[C@@H]2C1=O 1772808800 BOGMUCLRQRTNHX-SJORKVTESA-N 327.428 0.981 0 50 ECAA COCCN1C[C@H](C(=O)N(C)Cc2n[nH]c3c2CCCC3)CC1=O 19338911 MRIXLAZELZNWTB-GFCCVEGCSA-N 334.420 0.742 0 50 ECAA N=c1ccc(C(=O)N2C[C@@H](O)[C@]3(C2)[C@H](c2ccccc2)[C@H]3CO)c[nH]1 1857727576 VBQAZGUIKBWLEO-FXRXJOCMSA-N 339.395 0.703 0 50 ECAA CCN1CCN(S(=O)(=O)CC2CCOCC2)C[C@@H]1c1ncc[nH]1 328641859 YDFGPDCGSFZUEZ-CQSZACIVSA-N 342.465 0.845 0 50 ECAA CCn1c(=O)c2c(nc(-n3nc(C)cc3C)n2CCOC)n(C)c1=O 12231834 CFFMWYLPPSBPGF-UHFFFAOYSA-N 346.391 0.366 0 50 ECAA O=C(N[C@@H]1CCOC1)c1ccc(-n2cc(Br)cn2)nn1 337371237 YBLRIFCWJGBHRB-SECBINFHSA-N 338.165 0.944 0 50 ECAA CC1CCC(NS(=O)(=O)CC(=O)N2CCCC[C@@H]2C(=O)O)CC1 262594713 WDONIFIITKKMFO-WXRRBKDZSA-N 346.449 0.950 0 50 ECAA C=CC(=O)N(CC)CC(=O)N1CCC([C@@H](O)c2nccn2C)CC1 901149235 IWOMCFKZBHJGOG-MRXNPFEDSA-N 334.420 0.727 0 50 ECAA CN1C(=O)[C@H]2COC[C@@H]1CN(C(=O)Cn1ccc3ccccc31)C2 1704312739 YBBZYGNXVMBBHH-CABCVRRESA-N 327.384 0.957 0 50 ECAA COCCN(Cc1ccc(C)c(C)c1)C(=O)[C@@H]1CC(=O)NC(=O)N1 925298209 YLGSCWQXQDTHTA-AWEZNQCLSA-N 333.388 0.877 0 50 ECAA O=C(Cc1cccc(C(F)(F)F)n1)N1CCOC[C@@H]1c1nn[nH]n1 827961067 JHUVAJDWMLPABM-SECBINFHSA-N 342.281 0.756 0 50 ECAA Cc1[nH][nH]c2ncnc(=NC/C=C/CNC(=O)CC[C@@H](C)N(C)C)c1-2 1875327843 MUPZRAYCZMEGBS-BTDICHCPSA-N 345.451 0.849 0 50 ECAA CCc1nc([C@@H]2COC[C@@H]2NC(=O)Cn2nc(C)c(C)c2C)n[nH]1 1875401810 SNJVVNZOXGFIKQ-OLZOCXBDSA-N 332.408 0.788 0 50 ECAA O=C(N[C@H]1CCN(c2ncnn3cccc23)C[C@@H]1F)c1cnsn1 1875408325 SRXBTMDKKSHYTO-UWVGGRQHSA-N 347.379 0.928 0 50 ECAA Cn1nnnc1N1CC[C@]2(CN(Cc3ccccc3)C(=O)CO2)C1 882977383 GPNURLSLMUQEQU-MRXNPFEDSA-N 328.376 0.218 0 50 ECAA Cn1cnnc1C[C@]1(O)CCCN(C(=O)c2ccc3c(c2)OCO3)C1 886084751 DSLQNSZFLIHSTH-QGZVFWFLSA-N 344.371 0.754 0 50 ECAA Cn1cncc1C(=O)N[C@@H]1CCCC[C@@H]1Cc1nn(C)c(=O)n1C 888099105 SEEKOUWSLKGPSE-VXGBXAGGSA-N 332.408 0.384 0 50 ECAA COc1cncc(S(=O)(=O)N[C@@H]2C[C@@H](O)C23CCOCC3)c1 888098220 BXJWOFCZHGEOBR-CHWSQXEVSA-N 328.390 0.299 0 50 ECAA O=C(NCc1n[nH]cc1Br)[C@]12CNC[C@H]1CCOC2 1775484434 VXANFORBBQWPKG-PELKAZGASA-N 329.198 0.415 0 50 ECAA 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CC(=O)Nc1nonc1NC(=O)Cc1ccc(-n2nnnc2C)cc1 1529095234 PPZUCTIKVACFEZ-UHFFFAOYSA-N 342.319 0.493 0 50 ECAA CCOc1ccc(NC(=O)CSc2nnc(C)c(=O)n2N)cc1 392216 VPLILZAADUWWDC-UHFFFAOYSA-N 335.389 0.790 0 50 ECAA CN1CCc2[nH]nc(C(=O)N[C@H]3COC[C@H]3Cc3ccncc3)c2C1 1704343552 KBWUELRFLUZJPU-CJNGLKHVSA-N 341.415 0.780 0 50 ECAA C[C@@]1(NC(=O)c2cn3cccnc3n2)CCOC2(CCNCC2)[C@H]1O 1704299566 RPWYBMHAFPFHGG-GOEBONIOSA-N 345.403 0.121 0 50 ECAA NCCCC[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)O 167698522 VCNLIUZZUUVMPM-LLVKDONJSA-N 331.350 0.455 0 50 ECAA CC(=O)N1CC2(C1)[C@@H](C(=O)NC1CC3(CCC3)C1)CCS2(=O)=O 1857528943 MPXCHQSYUIYJJL-CYBMUJFWSA-N 340.445 0.471 0 50 ECAA N[C@H]1C[C@H](C(=O)N2CCCN(C3Cc4ccccc4C3)CC2)C[C@@H]1O 1857740459 OOVGXEFIBXCEOC-WDSOQIARSA-N 343.471 0.786 0 50 ECAA Cn1ccc(NC(=O)NC[C@@H]2C[C@H](F)CN2Cc2nccn2C)n1 341177104 MQMJSDIOGWFXST-RYUDHWBXSA-N 335.387 0.888 0 50 ECAA Cc1nc(N2CCN(S(=O)(=O)N(C)[C@@H](C)C3CC3)CC2)n[nH]1 874433858 TVYHUNZACOYXRA-JTQLQIEISA-N 328.442 0.210 0 50 ECAA COc1cccc([C@@H]2CCCN2S(=O)(=O)CCn2cnnn2)c1 1875288440 DFNBURRZZNGCMF-AWEZNQCLSA-N 337.405 0.849 0 50 ECAA CCn1cc(S(=O)(=O)NC(=O)c2nn(CC)cc2Cl)cn1 1875283960 JPNDFSRGTGEDTR-UHFFFAOYSA-N 331.785 0.892 0 50 ECAA CO[C@@H]1CN(c2cc[nH]c(=N)n2)C[C@@H]1N[C@H]1CCCn2nccc21 1875399978 OCVQWDVYSXFCCP-SGMGOOAPSA-N 329.408 0.414 0 50 ECAA CNC(=O)C[C@@H]1CN(C(=O)NCc2ccc(C(F)(F)F)o2)C[C@H]1O 1875402453 HFGXAPXJYJHYPS-PSASIEDQSA-N 349.309 0.937 0 50 ECAA C[C@@H]1C[C@H](NC(=O)[C@@H]2CN(C)C(=O)N2)CCN1Cc1ccns1 1875406805 MKWHTWVKXAXBII-WZRBSPASSA-N 337.449 0.636 0 50 ECAA Cc1c(C)n2c3c(=O)n(C)c(=O)n(C)c3nc2n1-c1ccc(O)cc1 12550279 NSLFBTYBBHYEAE-UHFFFAOYSA-N 339.355 0.998 0 50 ECAA CN(c1cnccn1)S(=O)(=O)c1ccc(CS(C)(=O)=O)cc1 225436756 BCXZFLDNFKFNAQ-UHFFFAOYSA-N 341.414 0.846 0 50 ECAA Cc1cc(C)nc(Sc2nc3c(=O)n(C)c(=O)n(C)c3n2C)n1 9146213 UWRNYECYDKQJQY-UHFFFAOYSA-N 332.389 0.529 0 50 ECAA CCN(CCO)C(=O)C[C@H]1C(=O)NCCN1Cc1cccc(F)c1 55108337 AVUIIOLFRCSQCX-HNNXBMFYSA-N 337.395 0.357 0 50 ECAA 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COC(=O)c1ccc(CN2CC[C@H](N3CCC(O)CC3)[C@@H](O)C2)cc1 1614345657 VDAUWVZQCMRNDE-ROUUACIJSA-N 348.443 0.865 0 50 ECAA Cc1cc(C[C@@H]2CN(C(=O)c3cc4ncccn4n3)C[C@@H]2O)on1 1529186355 XMIANIJHYUQOMF-RISCZKNCSA-N 327.344 0.701 0 50 ECAA C[C@H]1COC[C@H]2CN(C(=O)Cn3c(=O)oc4ccccc43)CCN12 1857722347 ITFYBARKDWPHCW-QWHCGFSZSA-N 331.372 0.526 0 50 ECAA C[C@H]1[C@H](c2ccccc2)OC[C@@H](C)N1C(=O)CN1CCNCC1=O 408519288 LLXQELRAVWWACV-QWQRMKEZSA-N 331.416 0.795 0 50 ECAA CNC(=O)CN1CCNC(=O)[C@@H]1c1ccc(OC(F)(F)F)cc1 241862477 SQHSGGMOIWPPOM-LBPRGKRZSA-N 331.294 0.804 0 50 ECAA CN1C[C@@H](C(=O)N[C@H](CO)c2cnn(C)c2)c2ccccc2C1=O 683864759 HATQZVJEKZRAHK-HUUCEWRRSA-N 328.372 0.439 0 50 ECAA Cn1cc(N2C[C@H](C(=O)N3CCC34CCOCC4)CCC2=O)cn1 934071273 PZDARXKLNVQHGL-CYBMUJFWSA-N 332.404 0.945 0 50 ECAA Cc1ccc(CN2CC[C@@H](NC(=O)[C@H](O)c3cnc[nH]3)C2=O)cc1 867763547 BZKACNQUPVUCHW-UKRRQHHQSA-N 328.372 0.669 0 50 ECAA COC(=O)c1ccc(CNS(=O)(=O)N(C)[C@H](C)C2CC2)cn1 874433775 QUYQBNYYTCRXQE-SNVBAGLBSA-N 327.406 0.933 0 50 ECAA Cc1nc2n(c(=O)c1CCN1CCc3c[nH]c(=N)nc3C1)CCCC2 1875311782 AGUJUDJEOHQQIY-UHFFFAOYSA-N 340.431 0.691 0 50 ECAA C=CC(=O)NC[C@@H]1CN(S(=O)(=O)c2ccccc2)[C@H]2CCN1C2 1875367254 HXWLQYWWFYKECJ-UONOGXRCSA-N 335.429 0.436 0 50 ECAA C[C@H](C(=O)N1CC(F)(c2cn(-c3ccn(C)n3)nn2)C1)[C@@H]1CCCO1 1875407443 ACADTKXKZVZAED-RYUDHWBXSA-N 348.382 0.823 0 50 ECAA CO[C@@H]1C[C@H](c2ncc[nH]2)N(C(=O)Cn2nc3ccccn3c2=O)C1 888077564 IXGPTEUSPQAVEU-VXGBXAGGSA-N 342.359 0.208 0 50 ECAA C[C@@H](CCn1cccn1)N[C@@H]1CCN(Cc2cn(C)nc2C(N)=O)C1 1775961496 DTYROVAPPBQTOI-DZGCQCFKSA-N 345.451 0.358 0 50 ECAA CC(=O)N[C@@]12CCOC[C@@H]1CN(C(=O)CCc1ccc(O)nc1)C2 2325848225 BVXQGBUKKQURIO-WMLDXEAASA-N 333.388 0.473 0 50 ECAA COC[C@@]12COC[C@@H]1CN(C(=O)c1ccc(N3CCOCC3)nc1)C2 2356148868 XOFYQLHZJGCFLK-YJBOKZPZSA-N 347.415 0.653 0 50 ECAA CC(C)Oc1cc(N2CC[C@H](N3CCOCC3)[C@@H](O)C2)nc(N)n1 1074534799 FTXQMNBRTWJLEG-STQMWFEESA-N 337.424 0.118 0 50 ECAA COCCN1CCC[C@@](O)(CN2CCOc3ccccc3C2)C1=O 67920068 HBZPSOFZCLHKBY-GOSISDBHSA-N 334.416 0.881 0 50 ECAA C[C@H]1CN(CC(=O)N2CCNC2=O)CCN1C[C@@H](O)c1ccccc1 229544822 NOICWJZRQCBQMT-GOEBONIOSA-N 346.431 0.278 0 50 ECAA Cc1nc2ccccn2c1C(=O)N1CCN(CCn2cncn2)CC1 219430396 FBZMJPBCSXIYHR-UHFFFAOYSA-N 339.403 0.692 0 50 ECAA COC(=O)C[C@@H]1CN(C[C@@H](O)CN(C)CC(F)(F)F)CCO1 328596095 RZPOBBVKWUYZFH-WDEREUQCSA-N 328.331 0.105 0 50 ECAA Cc1cc(C(F)(F)F)nc(CNC(=O)C[C@H]2C(=O)NCCN2C)n1 72135456 BLTSHGTUIUPTSI-VIFPVBQESA-N 345.325 0.240 0 50 ECAA O=C([C@@H]1[C@@H]2C=C[C@@]3(CN(CCc4ccncc4)C(=O)[C@H]13)O2)N1CCC1 77338929 VQZAFRAUIMIKBH-RCJHGTSTSA-N 339.395 0.638 0 50 ECAA Cc1cc(O)cc(=O)n1CC(=O)N1CCN(Cc2ccco2)CC1 332463669 RCZVAKJGPQLZRQ-UHFFFAOYSA-N 331.372 0.800 0 50 ECAA O=C(N[C@@H]1CC(=O)N(C2Cc3ccccc3C2)C1)c1ccc[nH]c1=O 72147291 ZUUJRNZHMQXTFH-CQSZACIVSA-N 337.379 0.873 0 50 ECAA CS(=O)(=O)c1ccccc1S(=O)(=O)N1CCCC[C@@H]1CN 237419433 PIVAYZINCSSHHN-LLVKDONJSA-N 332.447 0.592 0 50 ECAA Cc1ccc(S(=O)(=O)N2CCC[C@@](O)(Cn3ccnn3)C2)cc1 285247026 XQURVMCCSRTPRU-OAHLLOKOSA-N 336.417 0.802 0 50 ECAA Cn1nncc1C(=O)NC[C@@H]1CCCN(C2CC2)[C@H]1c1ccnn1C 284661554 UIOJCGODLBVANO-BLLLJJGKSA-N 343.435 0.894 0 50 ECAA O=C(O)[C@H]1CCCN1CC(=O)N1CCN(Cc2ccsc2)CC1 238091232 ORRQNTCIRWXDHY-CQSZACIVSA-N 337.445 0.941 0 50 ECAA O=C(O)c1ccc(S(=O)(=O)N2CCO[C@@]3(CCCOC3)C2)cc1 285431389 LQLXNTZOXIUGGW-HNNXBMFYSA-N 341.385 0.955 0 50 ECAA CO[C@@H]1C[C@@H](c2ncn[nH]2)N(C(=O)c2ccnn2CC(F)F)C1 285824081 PAWQGJKVGJRUSE-SCZZXKLOSA-N 326.307 0.869 0 50 ECAA Cc1cc(C)cc(N2CCN(C(=O)NCCOCCO)CC2=O)c1 426438519 CFKJDERUDVPIEJ-UHFFFAOYSA-N 335.404 0.671 0 50 ECAA C[C@@H](Cc1cnccn1)NC(=O)CN1CCN(c2ncccn2)CC1 220104565 SCCGKADTQKHBRU-AWEZNQCLSA-N 341.419 0.136 0 50 ECAA CCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)c2sc(N)nc2C)CN1C 96131725 CSWMVTRVJOZVGU-MNOVXSKESA-N 339.465 0.705 0 50 ECAA O=C(Cn1nccn1)N1CC[C@@]2(CCCN(C3CCOCC3)C2=O)C1 92037873 AXJKIGSRQYYLAH-KRWDZBQOSA-N 347.419 0.298 0 50 ECAA CC[C@@H](NC(=O)c1cc(=O)n(C)c(=O)n1C)c1cn2cccnc2n1 95504621 VDCBMUANSNDFNF-SNVBAGLBSA-N 342.359 0.008 0 50 ECAA Cc1cnccc1OC1CCN(C(=O)[C@H](CO)NC(=O)C(C)C)CC1 292867401 LHXBJVRONNZSNL-HNNXBMFYSA-N 349.431 0.893 0 50 ECAA Cc1cc(=O)[nH]c(NCCNC(=O)[C@@H]2Cc3ccccc3CN2C)n1 95381153 JFJREBBEEOSHNR-HNNXBMFYSA-N 341.415 0.663 0 50 ECAA Cc1ccc2nc(COCC(=O)N3CCS(=O)(=O)CC3)[nH]c2c1 97805481 SMHFTUGVZHHMED-UHFFFAOYSA-N 337.401 0.645 0 50 ECAA COCC[C@]1(C(=O)O)CCCN(C(=O)CCN2CCOCC2)C1 91468277 FTBLYOQUZYZMKS-MRXNPFEDSA-N 328.409 0.439 0 50 ECAA Cc1cc2n(n1)CCN(C(=O)CCN(C)[C@@H]1CCS(=O)(=O)C1)C2 244900234 ZYJPYOQAQHXWNT-CYBMUJFWSA-N 340.449 0.043 0 50 ECAA CCCN1C(=O)N[C@@H](CC(=O)NCCc2csc(N)n2)C1=O 244723799 MHPHJNBXRKWRMA-VIFPVBQESA-N 325.394 0.105 0 50 ECAA CS(=O)(=O)NC1CCN(Cc2noc([C@H]3CCCO3)n2)CC1 240936848 SEVHJTWQAIVMMR-LLVKDONJSA-N 330.410 0.435 0 50 ECAA COCc1noc(CNC(=O)Cn2cnc3ccsc3c2=O)n1 240825100 QMUPKBAZXLGLMN-UHFFFAOYSA-N 335.345 0.304 0 50 ECAA NC[C@@H]1CCCN1C(=O)c1ccc2c(c1)S(=O)(=O)N(C1CC1)C2=O 299738808 GTGILVXDDZBEGZ-LBPRGKRZSA-N 349.412 0.557 0 50 ECAA Cc1ccnc(SCC(=O)N2CC[C@@H]3OCc4cnnn4[C@H]3C2)n1 299767376 KJLGPVJCMFOGRN-STQMWFEESA-N 346.416 0.841 0 50 ECAA Cc1nc(N)ncc1C(=O)NC1CCN(C(=O)N2CCCC2)CC1 299768517 KYIYCMUSHJDMQN-UHFFFAOYSA-N 332.408 0.777 0 50 ECAA CCCCn1nc(CC(N)=O)nc1-c1cn([C@H]2CC[C@@H](N)CC2)nn1 952870171 WHKWCFPYGQXSEC-TXEJJXNPSA-N 346.439 0.807 0 50 ECAA C[C@H]1OCC[C@@H]1NS(=O)(=O)c1ccc2nc(O)nc(O)c2c1 270682756 YYLYTRTURXVZFF-XCBNKYQSSA-N 325.346 0.497 0 50 ECAA CN1CCO[C@@H](CS(=O)(=O)N2CCC[C@H]2C2CCOCC2)C1 632185900 LNCLEPATHLHCGS-CABCVRRESA-N 332.466 0.538 0 50 ECAA CN(C)c1cccc(C(=O)N2CCC[C@@H](CNS(N)(=O)=O)C2)c1 277815790 ZIFJWBZZJBZIFT-LBPRGKRZSA-N 340.449 0.398 0 50 ECAA CCCN1CCCN(C(=O)N[C@H](C)[C@@H](C)N2CCOCC2)CC1=O 190165613 RCFUKJHHDFAPEQ-HUUCEWRRSA-N 340.468 0.750 0 50 ECAA COC[C@@]1(C(N)=O)CCCN1S(=O)(=O)c1ccc(F)cc1C 643703124 LJKSGYPRHLBBCW-CQSZACIVSA-N 330.381 0.789 0 50 ECAA CS(=O)(=O)NC1CC(NC(=O)c2c[nH]nc2-c2ccncc2)C1 669919644 REYIRMDRNWMAHP-UHFFFAOYSA-N 335.389 0.282 0 50 ECAA CN(C)S(=O)(=O)C[C@@H]1CN(Cc2ccc3[nH]ccc3c2)C[C@H]1O 1529192336 TYGHLULTQZSSRJ-GOEBONIOSA-N 337.445 0.852 0 50 ECAA CNC(=O)Cn1cc(NC(=O)c2cnc3cccc(C)n3c2=O)cn1 1529098896 ONELMPCJZWSHRJ-UHFFFAOYSA-N 340.343 0.198 0 50 ECAA Cc1cc(C(=O)N2CC(=O)N(Cc3ccccc3)C[C@@H](O)C2)n(C)n1 14530808 GABUDXKESRGNHA-OAHLLOKOSA-N 342.399 0.574 0 50 ECAA CNC(=O)c1cc(S(=O)(=O)NCc2ccccn2)ccc1OC 16648776 YOTSESZIRUQYFL-UHFFFAOYSA-N 335.385 0.928 0 50 ECAA Cc1c(NC(=O)CN2CCOCC2)c(=O)n(-c2ccccc2)n1C 19286888 FZXFDPBYIPMDIK-UHFFFAOYSA-N 330.388 0.755 0 50 ECAA CN1C(=O)CCO[C@H]2CN(C(=O)Cc3cn4ccsc4n3)C[C@@H]21 1857700010 IQUCAMSWYZSWND-RYUDHWBXSA-N 334.401 0.396 0 50 ECAA NS(=O)(=O)C[C@@H]1CCCN(C(=O)c2cnc3ccccc3n2)C1 332559648 VMMAOGVIBOQCRR-LLVKDONJSA-N 334.401 0.771 0 50 ECAA COc1cccc(S(=O)(=O)NC[C@H]2CCN(C)C(=O)C2)c1OC 907253994 YVZRCQQWKXWZQO-NSHDSACASA-N 342.417 0.851 0 50 ECAA Cn1cc(C[C@H](CNC(=O)c2cc(Cl)ccc2O)C(N)=O)cn1 952876035 DOVBIOLIXHSUQD-SNVBAGLBSA-N 336.779 0.853 0 50 ECAA O=S(=O)(CCn1cnnn1)NCc1ccccc1Br 1875289875 VSVVGHBUUIMIRE-UHFFFAOYSA-N 346.210 0.555 0 50 ECAA Cn1nc(CNS(=O)(=O)C[C@@H]2C[C@H]2CF)c2ccccc2c1=O 1875298318 WVDHIHPFMMFGAW-QWRGUYRKSA-N 339.392 0.959 0 50 ECAA Cc1ccccc1CC(=O)N1CCN([C@@]2(C(N)=O)CCOC2)CC1 886077826 PXHPSYXNKDCHCT-SFHVURJKSA-N 331.416 0.326 0 50 ECAA CO[C@@H]1CCCCN(CC(=O)NCc2nn(C)cc2Cl)C1=O 886077606 CLRHYZBUKYUOKQ-GFCCVEGCSA-N 328.800 0.717 0 50 ECAA Cc1ccnc(C(=O)NC[C@H]2CCC(=O)N(C)[C@@H]2c2cnn(C)c2)n1 886081968 NHWVWBZZEGSURQ-DOMZBBRYSA-N 342.403 0.858 0 50 ECAA COc1cccc(C(=O)N2CCN([C@@]3(C(=O)O)CCOC3)CC2)c1 886096606 GGVARMYXWLZTQS-KRWDZBQOSA-N 334.372 0.697 0 50 ECAA CC(C)(C)OC(=O)N1CCN[C@@H](CNC(=O)Nc2cnns2)C1 1775990527 MVAVQECJBPCTBR-VIFPVBQESA-N 342.425 0.869 0 50 ECAA Cc1nc([C@@H]2CCO[C@@H]2CN(C)Cc2cnc(N(C)C)n2C)n[nH]1 1775957614 DNCWTEHJDIOZGI-ZIAGYGMSSA-N 333.440 0.917 0 50 ECAA O=C(c1cnnn1-c1ccccc1)N1CCN(Cc2ncc[nH]2)CC1 2325757197 SDPOLVOFZNFKED-UHFFFAOYSA-N 337.387 0.948 0 50 ECAA CN1[C@@H](CNC(=O)N(C[C@@H](O)C(C)(C)C)C2CC2)CCS1(=O)=O 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339.417 0.786 0 50 ECAA COc1cc(C(C)=O)ccc1OC[C@H](O)CN1CCc2nn[nH]c2C1 429318598 OCVHEMXOBADBHT-CYBMUJFWSA-N 346.387 0.814 0 50 ECAA O=S(=O)(c1cnn(CC(F)(F)F)c1)N1C[C@@H](F)C[C@H]1CO 332689883 VJIXVWQNKVZEGT-YUMQZZPRSA-N 331.291 0.539 0 50 ECAA OCc1cn([C@@H]2CCCN(Cc3nnc4n3CCCCC4)C2)nn1 328801060 YZRMJRNZTJWYSJ-CQSZACIVSA-N 331.424 0.925 0 50 ECAA COC(=O)c1ccc(-c2noc(CN3C[C@H](O)[C@@H](N(C)C)C3)n2)cc1 72161329 VDDLNDRNLGJMHU-KBPBESRZSA-N 346.387 0.630 0 50 ECAA COc1cc(CC(=O)N2CCO[C@@H](C(=O)O)C2)cc(OC)c1OC 72475641 QPFCWGBPFUOTIQ-CYBMUJFWSA-N 339.344 0.567 0 50 ECAA C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)N1CCCC[C@H]1Cn1cccn1 253377629 XRRHKODIUDSXCZ-OAGGEKHMSA-N 347.463 0.850 0 50 ECAA CS(=O)(=O)CCN(C(=O)Cn1c(=O)oc2ccccc21)C1CC1 155669640 DRXLGAMCFWKQTA-UHFFFAOYSA-N 338.385 0.630 0 50 ECAA COc1cc(CN2CC[C@](O)(CO)C2)cc(Cl)c1OCC(N)=O 215506811 PZQLLFRDKVHRTP-OAHLLOKOSA-N 344.795 0.142 0 50 ECAA O=C(NCc1noc(-c2ccc3c(c2)OCO3)n1)[C@@H]1CNCCO1 72480462 KYSMKUIWCJCTPG-LBPRGKRZSA-N 332.316 0.070 0 50 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CN(C)c1cc(C(=O)N[C@@H]2CCCN(c3ccnn3C)C2=O)ccn1 332350176 AVIWQNNBABOQKX-CYBMUJFWSA-N 342.403 0.807 0 50 ECAA COc1ccc(CN2CCN(CC(N)=O)C[C@@H]2CCO)c(F)c1 72462649 XFXLQUSOBCHMNG-ZDUSSCGKSA-N 325.384 0.188 0 50 ECAA O=C(N[C@H]1CCN(CCN2CCOCC2)C1)c1cccc(CO)c1 365978443 AZHIHJONDGLYAO-KRWDZBQOSA-N 333.432 0.315 0 50 ECAA CSc1ccccc1NS(=O)(=O)c1c(C)[nH]c(=O)[nH]c1=O 33327153 AENLWKPWDAMWKY-UHFFFAOYSA-N 327.387 0.894 0 50 ECAA COc1ncnc2c1CN(C(=O)c1c[nH]nc1[C@H]1CCOC1)CC2 369646222 FNADVIOOEZQADX-JTQLQIEISA-N 329.360 0.911 0 50 ECAA Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N[C@@H]1CCC[C@H]1CN 237617522 QLLJOJUSQAYYIL-WCQYABFASA-N 346.474 0.804 0 50 ECAA CN(C)c1cccc(C(=O)N2CCNC[C@@H]2C(=O)N2CCOCC2)c1 72158001 CIZYEZKHNCLWMQ-MRXNPFEDSA-N 346.431 0.025 0 50 ECAA COc1cc(C(=O)N2CCC[C@@]3(CCC(=O)N(CCO)C3)C2)ccn1 77504719 NTVNCJWIACFAPL-SFHVURJKSA-N 347.415 0.927 0 50 ECAA O=C(N=c1nc(C(F)(F)F)[nH]s1)N[C@@H]1CCc2ncnn2C1 606443930 JAOABQKZIMHWHD-RXMQYKEDSA-N 333.299 0.707 0 50 ECAA 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CCc1ccccc1OC1CN(C(=O)Cn2ccc(=O)[nH]c2=O)C1 95357498 IDYDJAIGVIABNJ-UHFFFAOYSA-N 329.356 0.389 0 50 ECAA NC(=O)C(=O)N1C[C@@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CCN2CC1 95383709 WZEXCCQFNQHWEV-APHBMKBZSA-N 343.383 0.289 0 50 ECAA CCc1nnc(CN2C[C@H]3CN(C(=O)C4CCC4)C[C@@]3(C(=O)O)C2)o1 91848989 NDFHCNOBZIXFIR-SJCJKPOMSA-N 348.403 0.777 0 50 ECAA COc1ccc2c(c1)nc(CNC(=O)N1CC(=O)N[C@@H](C)C1)n2C 298213851 GQJBSJWRJHGZSI-JTQLQIEISA-N 331.376 0.612 0 50 ECAA COc1ccc(N2C[C@@H](C(=O)N3CC[C@H](CN)C3)CC2=O)cc1OC 299740212 XBWKMUIOGAAKAS-OLZOCXBDSA-N 347.415 0.864 0 50 ECAA CCCCN1CCn2nc(CNC(=O)CNC(=O)N(C)C)cc2C1 299756559 HELWHSLBRGPPLB-UHFFFAOYSA-N 336.440 0.386 0 50 ECAA O=C(Cn1cccn1)N[C@H]1COCC[C@@H]1Oc1ccc(C(=O)O)cc1 1565506113 KAYZXAOVJAKXFA-GJZGRUSLSA-N 345.355 0.934 0 50 ECAA CN(C)C[C@@H]1C[C@H](CO)CN(C(=O)c2cccc(OCC(N)=O)c2)C1 1565508668 QGGJUDZHGOGPOY-KBPBESRZSA-N 349.431 0.183 0 50 ECAA CN(CC(=O)O)C[C@@H]1CN(Cc2cccc3c2CCOC3)CCO1 635018017 XJYXZVDYBQLSJU-MRXNPFEDSA-N 334.416 0.977 0 50 ECAA 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HVMHYHUGDMHINX-UHFFFAOYSA-N 332.703 0.406 0 50 ECAA CNC[C@H]1CCCN1S(=O)(=O)c1ccc(CNC(C)=O)s1 237281680 SCIWBMPPEMGGDJ-LLVKDONJSA-N 331.463 0.757 0 50 ECAA O=C(NCCN1CCC2(C1)OCCO2)N1CC(O)(c2ccccc2)C1 952883672 OOOOPTNHSPPXGI-UHFFFAOYSA-N 347.415 0.348 0 50 ECAA Cc1cc(C)n(CC(=O)N(C)C[C@H]2OCC[C@H]2c2n[nH]c(C)n2)n1 952888687 LMRIZUFVEHMPHM-ZIAGYGMSSA-N 332.408 0.958 0 50 ECAA O=C(N[C@@H]1C[C@@H](O)C12CCOCC2)c1cc(N2CCOCC2)ccn1 887027472 SHIIPGLOHGFUKY-HZPDHXFCSA-N 347.415 0.578 0 50 ECAA Cc1c(C(=O)N[C@H]2C[C@@H](O)[C@@H]2n2cccn2)nnn1-c1ccccc1 888077009 CLFBHXDGQNSSDR-SQWLQELKSA-N 338.371 0.877 0 50 ECAA O=C(Cc1noc([C@@H]2CCc3nn[nH]c3C2)n1)N1CCSCC1 1775960306 DYVOPIASQOKPGL-SECBINFHSA-N 334.405 0.578 0 50 ECAA Cc1cccc(-n2cc(CN(C)C(=O)c3nc(=O)n(C)[nH]3)cn2)c1 2100482372 UTDFHXCMSXYNRW-UHFFFAOYSA-N 326.360 0.875 0 50 ECAA N[C@@H]1CS(=O)(=O)[C@H]2CN(Cc3c[nH]nc3-c3cccnc3)C[C@@H]12 2325849295 LELREMZWFXUXRR-MJBXVCDLSA-N 333.417 0.028 0 50 ECAA Cc1nc(N(C)C)ncc1C(=O)N1CCC[C@]2(CN(C)CC[C@@H]2O)C1 2356138500 CSSURRACCZDSLQ-YJBOKZPZSA-N 347.463 0.770 0 50 ECAA COC(=O)C1=NN[C@@H]2C(=O)N(c3c(Cl)cccc3Cl)C(=O)[C@H]12 100617574 SQGBKDUHCPZOOZ-YUMQZZPRSA-N 342.138 0.984 0 50 ECAA Cn1c(Cn2cccn2)nnc1C1CCN(C[C@@H]2[C@H]3CNC[C@H]32)CC1 102663467 GOWPSFFSNXYBRJ-ZSHCYNCHSA-N 341.463 0.705 0 50 ECAA CC1(C)COCCN1S(=O)(=O)c1ccc(S(C)(=O)=O)nc1 280788897 UIMKQTJKKQCBJS-UHFFFAOYSA-N 334.419 0.285 0 50 ECAA O=C(Nc1ccccc1C(=O)NCCN1CCOCC1)c1ncc[nH]1 55340734 OVPPAAXBXNAKGU-UHFFFAOYSA-N 343.387 0.724 0 50 ECAA COCc1ccc(C(=O)N2CCN(c3cnn(C)c(=O)c3)CC2)o1 20117765 PFKUJWDEYYCYHU-UHFFFAOYSA-N 332.360 0.482 0 50 ECAA C[S@@](=O)CCNS(=O)(=O)c1ccc(C(=O)O)cc1Cl 311337753 JFFZOADZCKCZGV-GOSISDBHSA-N 325.795 0.695 0 50 ECAA CCOC(=O)CN1CCN(c2nc3ccccc3n2CCO)CC1 65455326 XOTCHTOJUMWEQO-UHFFFAOYSA-N 332.404 0.714 0 50 ECAA Cc1ccn(-c2ccc(NCCNC(=O)c3snnc3C)nn2)n1 77135983 OTKVLESONIEBEY-UHFFFAOYSA-N 344.404 0.973 0 50 ECAA CCN(C(=O)Cc1c(C)nc(N)nc1C)[C@@H]1CCS(=O)(=O)C1 77470942 FOEMTVNPLAEGQV-LLVKDONJSA-N 326.422 0.254 0 50 ECAA CS(=O)(=O)N1CCCC[C@H]1CNC(=O)N1CCC[C@@H]1CCO 358119343 ANVDGXUTRVRZPH-OLZOCXBDSA-N 333.454 0.357 0 50 ECAA CCc1nc(C)c(C(=O)N2CCC3(CC2)NC(=O)C[C@@H]3C(=O)O)o1 219590662 LPSBWOVFOYXTFT-SNVBAGLBSA-N 335.360 0.741 0 50 ECAA CN1CCN(C(=O)CCCc2ccccc2)[C@H]2CS(=O)(=O)C[C@H]21 72408037 UWIZECDENZFCDT-CVEARBPZSA-N 336.457 0.949 0 50 ECAA CC(C)[C@H](O)CC(=O)N1CCc2ncnc(N3CCOCC3)c2C1 372150064 MUAXKPXLLHPPRM-OAHLLOKOSA-N 334.420 0.605 0 50 ECAA CCOc1cc(N2C[C@H](c3cnn(C)c3)[C@@H](C(=O)NC)C2)ncn1 284808223 NBXYKMNYWVTUOQ-OLZOCXBDSA-N 330.392 0.575 0 50 ECAA Cc1nccc(N2CCC(c3nnc(CN(C)CCO)n3C)CC2)n1 77287582 JWIVBEAKYSTQQZ-UHFFFAOYSA-N 345.451 0.722 0 50 ECAA Cc1c[nH]c(C(=O)NC2CCN(C3CCS(=O)(=O)CC3)CC2)n1 223682840 FWIQIUBLRFNKLL-UHFFFAOYSA-N 340.449 0.490 0 50 ECAA CN1CCc2ccc(NC(=O)c3cnn(C[C@@H](O)CO)c3)cc2C1=O 612403412 NQAHMLQEBKMJAW-CQSZACIVSA-N 344.371 0.117 0 50 ECAA O=C(NCC(F)F)c1ccc(S(=O)(=O)NC[C@@H]2CCCN2)cc1 91656088 MLXXPEBVNAEZCC-NSHDSACASA-N 347.387 0.712 0 50 ECAA O=C(c1cccn1C1CC1)N1CCN(c2ncccn2)C[C@H](O)C1 97696328 VLLCYBHJOWFEAY-CQSZACIVSA-N 327.388 0.936 0 50 ECAA O=C1CN(c2ccc(C(=O)NC[C@@H](O)c3ccccn3)cc2)C(=O)N1 91593183 MLTLGJHMMCIIOK-CQSZACIVSA-N 340.339 0.601 0 50 ECAA Cc1cc(C)n(C2CN(C(=O)CN3C(=O)COc4cccnc43)C2)n1 95508193 WHBGSWMXEHOWIG-UHFFFAOYSA-N 341.371 0.704 0 50 ECAA O=C(O)[C@H]1CN(Cc2c[nH]cn2)CCN(C(=O)C2CCOCC2)C1 97619022 ZTFYISWSGAYVSC-ZDUSSCGKSA-N 336.392 0.181 0 50 ECAA C[C@H]1CN(C(=O)c2ccc(-n3cnnc3)cc2)CCN1S(C)(=O)=O 181276915 VMTVWPFPKWLRHI-LBPRGKRZSA-N 349.416 0.373 0 50 ECAA NC(=O)C[C@@H]1CCCCN1C(=O)c1cnc(N)nc1C(F)(F)F 243919605 BPPTXPAHUJMAHL-ZETCQYMHSA-N 331.298 0.948 0 50 ECAA CCCN1C(=O)N[C@H](CC(=O)NCc2ncc3c(n2)CCC3)C1=O 244633107 FWTGIVLVELHPFO-GFCCVEGCSA-N 331.376 0.302 0 50 ECAA CC1CCC(N2C[C@H](C(=O)N3CCO[C@H](C(=O)O)C3)CC2=O)CC1 299752451 UDUHBPJRZGWSCZ-HHTDUIENSA-N 338.404 0.726 0 50 ECAA COCc1nc(CNCc2nnc([C@H]3C[C@H](NC(C)=O)C3)n2C)no1 252552061 UMZZDQNFMBNQPH-XYPYZODXSA-N 349.395 0.016 0 50 ECAA O=C(O)c1ccccc1C(=O)N1CCCO[C@H](CN2CCOCC2)C1 534590654 GPUZCHDHZMCJFN-CQSZACIVSA-N 348.399 0.948 0 50 ECAA Cc1nnnn1CCC(=O)NCCc1nc(Cc2ccccc2)no1 299775882 LKVUURGXYQAENW-UHFFFAOYSA-N 341.375 0.704 0 50 ECAA Cc1cc(N)n(CC(=O)NC2CCN(Cc3ccncc3)CC2)n1 299776138 KPJAFGZAXXOFJV-UHFFFAOYSA-N 328.420 0.950 0 50 ECAA CC(=O)c1c(C)nn(CCC(=O)NCCS(=O)(=O)N(C)C)c1C 299772364 ZNZRKWHIKBJYEJ-UHFFFAOYSA-N 344.437 0.100 0 50 ECAA COCC(=O)NCc1cc2n(n1)CCN(Cc1c(C)n[nH]c1C)C2 299786222 RXPGIWKYUKFZHR-UHFFFAOYSA-N 332.408 0.501 0 50 ECAA O=C(CNC(=O)c1cc(Cl)ccc1Cl)NCc1nc(O)n[nH]1 670450460 GPDQEWIFPSDBIT-UHFFFAOYSA-N 344.158 0.863 0 50 ECAA C[C@H](C(=O)Nc1cccc(NC(=O)CN(C)C)c1)N1CCN(C)CC1 952986687 AKEZSTTXNMQVNI-CQSZACIVSA-N 347.463 0.761 0 50 ECAA CCN1CCN(CC(=O)N[C@@H]2CC(=O)N(c3cccc(C)c3)C2)CC1 952979966 BMJRRPSUQRKIIH-MRXNPFEDSA-N 344.459 0.854 0 50 ECAA CN(CC(N)=O)C[C@H]1CN(C(=O)c2cccc(Cl)c2)CCO1 276171974 BGDJODHYPBRQPF-ZDUSSCGKSA-N 325.796 0.598 0 50 ECAA CN(C)S(=O)(=O)c1ccc(CN2CCOC[C@@]23CCOC3)cc1 193691094 JYBAGQGGTUZGCO-INIZCTEOSA-N 340.445 0.928 0 50 ECAA O=C(c1ccn(-c2ccccc2)n1)N1CC[C@](O)(Cn2ccnn2)C1 671498109 BOEYAVCVIVFAEG-QGZVFWFLSA-N 338.371 0.741 0 50 ECAA Cc1cc(C)n(CCNc2ncc(F)c(N3CCOCC3)n2)c(=O)n1 1529112298 JUOQGWIYNAEWAC-UHFFFAOYSA-N 348.382 0.738 0 50 ECAA Cc1ncc2c(n1)[C@@]1(CCCN(C(=O)C3=NNC(=O)CC3)C1)CC2 1704343262 AZWDJYVJDFZSMZ-KRWDZBQOSA-N 327.388 0.857 0 50 ECAA COc1ccc(C(=O)N[C@H]2COC[C@H]2CS(=O)(=O)N(C)C)cc1 1704344153 OMUGWKHQTWNRCY-JSGCOSHPSA-N 342.417 0.331 0 50 ECAA Cc1ccc(F)c(CC(=O)N2C[C@H]3COC[C@]3(c3n[nH]c(=N)o3)C2)c1 1857532972 CQIAYULLFZYGNN-YVEFUNNKSA-N 346.362 0.899 0 50 ECAA NS(=O)(=O)c1ccc(CCNC(=O)[C@H]2CCn3nccc3C2)cc1 1857673061 FDZQGIPIOLAVOZ-ZDUSSCGKSA-N 348.428 0.452 0 50 ECAA Cc1cccc(CS(=O)(=O)N2CC[C@@]34OCCN3C(=O)C[C@@H]24)c1 1857713750 MFCIERGOHGGJKT-ZBFHGGJFSA-N 336.413 0.858 0 50 ECAA Cn1nc2c(c1-c1ccccc1)CCN(C(=O)Cn1cnnn1)CC2 1857738339 CMTWAWGYGXZOGG-UHFFFAOYSA-N 337.387 0.701 0 50 ECAA COc1cc(CC(=O)N2CCS(=O)(=O)C[C@H]2C(=O)O)ccc1C 643431396 JKAUVIUKCAXANZ-LBPRGKRZSA-N 341.385 0.256 0 50 ECAA O=C(C1=C[C@@H](O)[C@@H](O)[C@H](O)C1)N1CCO[C@@H](c2ccc(F)cc2)C1 646639345 ISSIIHYBRWGLQE-KLHDSHLOSA-N 337.347 0.138 0 50 ECAA CN1CCC[C@]2(CO)CCN(C(=O)c3ccc(C(N)=O)cc3)C[C@@H]12 1704299533 QJHFBPHTRVJQRK-CRAIPNDOSA-N 331.416 0.704 0 50 ECAA CNS(=O)(=O)[C@@H]1CCN(Cc2cc(=O)n3cc(C)sc3n2)C1 930069819 NGYOYYJDINANGW-LLVKDONJSA-N 342.446 0.188 0 50 ECAA CNC(=O)[C@]12CCOC[C@H]1CN(C(=O)c1cncc(OC)c1C)C2 952850358 LLQOAVXZVHXGBM-PXAZEXFGSA-N 333.388 0.623 0 50 ECAA O=C(c1ccc(OC(F)F)cn1)N1CCN2CCOC[C@]2(CO)C1 952883200 YQXIEADKWXXFRG-OAHLLOKOSA-N 343.330 0.202 0 50 ECAA NC(=O)[C@]12CCOC[C@H]1CN(C(=O)c1cc3c(cn1)OCCC3)C2 952851118 UVKJAEXXQWJSSB-PXAZEXFGSA-N 331.372 0.371 0 50 ECAA CC(=O)N1C[C@H](NC(=O)CN2C(=O)[C@@H](C)[C@@H](C)C2=O)CC2(CCC2)C1 1875340341 WOVHMVBRVONLKC-MBNYWOFBSA-N 349.431 0.535 0 50 ECAA C=CC(=O)N1CC(C(=O)N[C@@H](c2ccccc2)c2nnc(C)n2C)C1 1875387475 JQWLHDLATSGZGU-INIZCTEOSA-N 339.399 0.974 0 50 ECAA C[C@@H]1C[C@@H](NC(=O)C23CC(C)(CO2)C3)CN1C(=O)c1cn(C)nn1 1875342771 GPJNYNAIYDQASI-CHISNJGVSA-N 333.392 0.103 0 50 ECAA CS(=O)(=O)NC(=O)c1cn(-c2cccc(C(F)(F)F)c2)nn1 1875390997 QKQLCNBIOUHWJM-UHFFFAOYSA-N 334.279 0.976 0 50 ECAA Cc1ccccc1CO[C@H](C)C(=O)N[C@@H](C(=O)O)c1cn(C)nn1 1875329746 HDGSBPHZGNLGTL-BXUZGUMPSA-N 332.360 0.971 0 50 ECAA Cc1cncn1CC(=O)N[C@@H]1C[C@H](Cn2cc(Cl)cn2)C[C@H]1O 1875403085 PRUNBIDZSALBCA-IACUBPJLSA-N 337.811 0.997 0 50 ECAA COc1cc(CCNC(=O)[C@H]2CC[C@@H](C(=O)O)N2C2CC2)ccn1 888094065 ANBGCWFJNIWXPT-KGLIPLIRSA-N 333.388 0.829 0 50 ECAA CN(C)C(=O)Cc1nnc(NC(=O)c2cnc3cccnn23)s1 2100537100 ILQNJQMYMRNRBH-UHFFFAOYSA-N 331.361 0.464 0 50 ECAA Cn1[nH]c(C(C)(C)C)c/c1=N\C(=O)CN1C[C@@H](N)C[C@]12CCCOC2 2325777175 JPVNKJAZFAZXTK-CKLKEBKBSA-N 349.479 0.660 0 50 ECAA C[C@@H](O)c1n[nH]c([C@@H](C)NC(=O)c2ccc3c(c2)nc(CO)n3C)n1 2325852258 XLTGNMTUWMQSRR-RKDXNWHRSA-N 344.375 0.728 0 50 ECAA O=C(NCc1cccc2ncnn12)c1ccc(Cn2cnnn2)cc1 2356147073 GTSHUSHNAGVNDL-UHFFFAOYSA-N 334.343 0.694 0 50 ECAA CN(C)S(=O)(=O)N1CCC(C(=O)N[C@H]2C[C@H]3CC[C@H]2C3)CC1 103473560 PKPXBPKJFKJCPT-UBHSHLNASA-N 329.466 0.810 0 50 ECAA NC(=O)[C@@H]1COCCN1C(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 246833888 RRZNNVPCPKKDKU-ZBFHGGJFSA-N 349.406 0.750 0 50 ECAA O=C(O)c1cn(C[C@@H]2CCCN(C(=O)c3cnn4cc[nH]c34)C2)nn1 67673260 GVQRFHZMXQUBDB-SNVBAGLBSA-N 343.347 0.505 0 50 ECAA COC(=O)[C@H]1CC(=O)NN(S(=O)(=O)c2ccc(Cl)cc2)C1 1400445 MRQJOFNMFIBWJK-QMMMGPOBSA-N 332.765 0.555 0 50 ECAA Cc1cc(CC(=O)N2CCc3c(ncnc3N3CCOCC3)C2)on1 77456403 ALZZGRMTFFAYSZ-UHFFFAOYSA-N 343.387 0.737 0 50 ECAA CC(=O)N(CC(=O)O)[C@H]1CCCN(C(=O)[C@H]2CCCOC2)CC1 328629254 IBJHPZNDTXPEIR-KBPBESRZSA-N 326.393 0.727 0 50 ECAA C[C@H](O)C(=O)N1CCN(C(=O)c2ccc(-c3ccco3)[nH]c2=O)CC1 124176026 JKOSTTBOGRFGFV-NSHDSACASA-N 345.355 0.300 0 50 ECAA Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N1CCC([C@@H](O)CC(C)C)CC1 77420846 NBJMZXMEHBGFDR-AWEZNQCLSA-N 337.420 0.560 0 50 ECAA C[C@@H](CO[C@@H]1CCOC1)NC(=O)N1CCc2nn(C)c(=O)cc2C1 333450339 LQPDLBYOENXNCM-WCQYABFASA-N 336.392 0.042 0 50 ECAA CN(C)c1nc(N)nc(CN2CCN(c3ccc(F)cn3)CC2)n1 367744453 BDCPOXNXZFAZDF-UHFFFAOYSA-N 332.387 0.376 0 50 ECAA Cn1nccc1CN1CCN(c2ccc(S(N)(=O)=O)cc2)CC1 128970240 HEPKFXOFFIGEAV-UHFFFAOYSA-N 335.433 0.390 0 50 ECAA O=C([C@H](c1ccccc1)n1cccn1)N1CC[C@@H](N2CCNCC2)C1 262042624 LMWSIZBOWZMETR-MSOLQXFVSA-N 339.443 0.979 0 50 ECAA O=C(O)CO[C@H]1CCOC[C@H]1NC(=O)c1ccccc1-n1cccn1 219449497 YZXKVJYGMBDECS-HIFRSBDPSA-N 345.355 0.861 0 50 ECAA O=C(CCc1nc(-c2cccnc2)no1)N1CCC[C@](O)(CO)C1 72149017 GJVNLUDQXWAXDH-MRXNPFEDSA-N 332.360 0.410 0 50 ECAA O=C(C[C@H]1C(=O)NCCN1Cc1cccc2ccccc12)NCCO 72147432 FCINRCNOYWSPMN-KRWDZBQOSA-N 341.411 0.639 0 50 ECAA O=C(NCCOc1ccccc1)N1CCCN([C@H]2COC[C@@H]2O)CC1 426510641 ODKZEKXHJAVXEV-IRXDYDNUSA-N 349.431 0.542 0 50 ECAA Cc1cn(CC(=O)NCCc2nc3ccccc3o2)c(=O)[nH]c1=O 221187511 SERPUQONHHQATK-UHFFFAOYSA-N 328.328 0.345 0 50 ECAA Cc1nonc1OCCNC(=O)Cn1ccc([C@@H]2CCCNC2)n1 426513690 PIMAOSYBWBTSMZ-GFCCVEGCSA-N 334.380 0.237 0 50 ECAA 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C[C@H]1CN(C[C@H]2CCCN2S(=O)(=O)CCN(C)C)C[C@@H](C)O1 222270910 VCCJTPDLBIAGIS-QLFBSQMISA-N 333.498 0.451 0 50 ECAA CN(C)C/C=C/C(=O)NCCN(C)S(=O)(=O)c1cccs1 269646346 YUQYPBGPJVKWFH-GQCTYLIASA-N 331.463 0.603 0 50 ECAA C[C@H](O)C(=O)N1CCN(S(=O)(=O)c2cccc3cnccc23)CC1 270785498 DZXNDAUXGXEFGT-LBPRGKRZSA-N 349.412 0.449 0 50 ECAA CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NCc1nc(C)c2ccccc2n1 684426796 UBKJNSKXSCTPDR-IUODEOHRSA-N 328.372 0.536 0 50 ECAA COc1ccc([C@@H](NS(=O)(=O)c2cnnn2C)C(=O)O)cc1F 646048463 OEOHTISHNPYARE-LLVKDONJSA-N 344.324 0.067 0 50 ECAA CN(C)S(=O)(=O)N1CCCN(Cc2cnc3ccccc3n2)CC1 660584414 OAIPROSPYLZYAD-UHFFFAOYSA-N 349.460 0.944 0 50 ECAA NC1(C(=O)N2CCC[C@@H](c3cc(N4CCNCC4)n[nH]3)C2)CCC1 663017163 IPPGSMMTMZCUQH-CYBMUJFWSA-N 332.452 0.407 0 50 ECAA Cc1nonc1C(=O)NCC(=O)N(C)[C@@H]1C[C@@H]2C[C@H](N(C)C)C[C@@H]2C1 1529112036 GFMJUAVPRLHIDV-KPWCQOOUSA-N 349.435 0.685 0 50 ECAA Cc1cc(C[C@@H]2CN(CC(C)(C)CN3CCOCC3)C[C@@H]2O)n[nH]1 1529198925 QABNOENYZVBHPA-WBVHZDCISA-N 336.480 0.912 0 50 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Cc1cc(C(F)(F)F)nc(CNC(=O)c2cn(CCN)nn2)n1 77564614 XALUYIFLAWFGLT-UHFFFAOYSA-N 329.286 0.284 0 50 ECAA Cc1ccsc1S(=O)(=O)N1CCO[C@]2(CNCCOC2)C1 72158104 QSISSDODRKVQBZ-CYBMUJFWSA-N 332.447 0.436 0 50 ECAA COc1nc(C)ccc1C(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 330712151 QLSCDIBWFFKSFB-AWEZNQCLSA-N 333.388 0.862 0 50 ECAA CC(=O)N1CCc2c(nc(-c3cccnc3)nc2N[C@@H](C)C(N)=O)C1 71661344 ATSMTEMHQSMOTL-JTQLQIEISA-N 340.387 0.729 0 50 ECAA CN(CCO)C(=O)C[C@H]1C(=O)NCCN1Cc1cccc(F)c1F 72144507 AABPBUZJAZQGKV-ZDUSSCGKSA-N 341.358 0.106 0 50 ECAA Cc1nc(=O)c(CC(=O)NCCc2noc([C@@H]3CCCO3)n2)c(C)[nH]1 215012166 WSDAAUOCXKPKGU-LBPRGKRZSA-N 347.375 0.523 0 50 ECAA NS(=O)(=O)CCN1CCN(C(=O)c2ccc(F)c(Cl)c2)CC1 128508583 MCVFGOSUMSVXKU-UHFFFAOYSA-N 349.815 0.525 0 50 ECAA CC[C@@H](NS(=O)(=O)c1c(C)cc(C)c(CC(=O)O)c1C)C(N)=O 379295637 MPJPJCPSMPBGBD-GFCCVEGCSA-N 342.417 0.781 0 50 ECAA CN(C)c1ccnc(C(=O)N2CCC([C@H]3OCC[C@@H]3C(N)=O)CC2)c1 284743764 WWJQJUBJRIQYEW-GOEBONIOSA-N 346.431 0.890 0 50 ECAA O=C(Cc1cccc(F)c1)N1CCCN(C(=O)Cn2cnnn2)CC1 176796454 ODRDKLXQXFGJOF-UHFFFAOYSA-N 346.366 0.116 0 50 ECAA Cc1ccsc1S(=O)(=O)N[C@@H]1COCC[C@@H]1OCC(=O)O 223395254 WMSFLIDDOLEYBM-ZJUUUORDSA-N 335.403 0.594 0 50 ECAA Cc1ccccc1CN1CCN(C(=O)CN2CCCC2=O)C[C@H](O)C1 97815262 KEMQGPYBKYXQOB-QGZVFWFLSA-N 345.443 0.623 0 50 ECAA COCC[C@]1(C(=O)O)CCCN(C(=O)c2cnc(C3CC3)[nH]c2=O)C1 91769397 ZMNDSPKQSGONDI-QGZVFWFLSA-N 349.387 0.991 0 50 ECAA CCCN1C(=O)N[C@@H](CC(=O)N(C)Cc2cnc(NC)nc2)C1=O 244742110 OCBHANHRVCJKAF-NSHDSACASA-N 334.380 0.197 0 50 ECAA O=C(NCCCc1nnc2ccccn12)[C@H]1CCCCn2nnnc21 299763970 ICYFYDMPBWTAOP-LBPRGKRZSA-N 340.391 0.732 0 50 ECAA C[C@H](C(=O)N(C)[C@@H]1CCCC[C@@H]1S(C)(=O)=O)S(C)(=O)=O 408227624 YCMZWEPTJFQEPE-MXWKQRLJSA-N 325.452 0.234 0 50 ECAA COCc1cccc(CC(=O)N2CCN(c3cnn(C)c3)C(=O)C2)c1 188458805 UMNZDXRDYFSBAS-UHFFFAOYSA-N 342.399 0.984 0 50 ECAA COCCn1ccc(C(=O)Nc2ccc(N3CCN(C)CC3)nc2)n1 190511834 NGXIYFSGGWFDRC-UHFFFAOYSA-N 344.419 0.929 0 50 ECAA CNC(=O)[C@]1(COC)CCCN1CC(=O)NCc1ccccc1OC 643825973 CFAUZHPCRXFTSE-GOSISDBHSA-N 349.431 0.538 0 50 ECAA CC1(C)CN(C(=O)NCc2ncc3c(n2)CCOC3)C[C@@H](CO)O1 651211536 PXXBOXSEEDLLSX-LBPRGKRZSA-N 336.392 0.231 0 50 ECAA Cn1cc(CN2CC[C@](O)(Cn3ccnn3)C2)c(-c2cccnc2)n1 671492389 FEDPQWDGLSULCP-QGZVFWFLSA-N 339.403 0.711 0 50 ECAA CNC(=O)[C@]1(COC)CCCN1Cc1nn(C)cc1Br 643829619 CKILAPCDZTXBCC-CYBMUJFWSA-N 345.241 0.910 0 50 ECAA Cn1cnc2cc(C(=O)N3CCC([C@H](O)CO)CC3)ccc2c1=O 1772702752 VEMOLFZLZRYFCR-OAHLLOKOSA-N 331.372 0.139 0 50 ECAA Cc1ccc2nc(CN3C[C@@H]4COCC[C@]4(CO)C3)cc(=O)n2c1 1772707679 SUUCWKJBDOJFAV-RDTXWAMCSA-N 329.400 0.834 0 50 ECAA CCN(CC)C(=O)Cn1cc(C(=O)N(CCOC)C(C)C)nn1 12093849 CXMGPGYERWFCFY-UHFFFAOYSA-N 325.413 0.644 0 50 ECAA CCn1cc(C(=O)N[C@H]2CCS(=O)(=O)C2)c(=O)c2ccc(C)nc21 12321652 QGVVWQDUPCOCAP-NSHDSACASA-N 349.412 0.642 0 50 ECAA C[C@@H]1NC(=O)[C@@H]2C[C@H](NCc3nc4ccccc4s3)CN2C1=O 14743856 RQCFYSSNQJBBPU-NHCYSSNCSA-N 330.413 0.874 0 50 ECAA COc1ccc(-c2nc(CNC(=O)CNC(N)=O)c(C)o2)cc1O 1857678691 KXVKUVJMWYYMKQ-UHFFFAOYSA-N 334.332 0.649 0 50 ECAA CNC(=O)Cc1nc([C@H]2CCn3nccc3C2)n(-c2ccnn2C)n1 1857679171 YMRBVAMLHOEPLX-NSHDSACASA-N 340.391 0.216 0 50 ECAA COc1ccc(-c2n[nH]cc2CNC(=O)[C@H]2C[C@@H](N)[C@H](O)C2)cc1 1857712536 CRRUSPQAIQVZTR-NILFDRSVSA-N 330.388 0.800 0 50 ECAA NS(=O)(=O)C1CCN(C(=O)[C@H]2CC[C@H](c3ccccc3)N2)CC1 1857735500 QBEWLFZIDIEAJR-HUUCEWRRSA-N 337.445 0.759 0 50 ECAA CCCn1nnnc1CN[C@@H]1CC(=O)N(C)[C@H]1c1c(C)nn(C)c1C 328628386 NSMCYCSVQHAJBH-MLGOLLRUSA-N 346.439 0.495 0 50 ECAA Cn1nc(C(F)(F)F)cc1CNC(=O)[C@@H]1CN2CCCN1CC2 831035218 NSIBWQKNSMUEOW-NSHDSACASA-N 331.342 0.445 0 50 ECAA COc1ccc2c(c1)C[C@H](CN1CCC(CS(N)(=O)=O)CC1)O2 930117945 CVPBPKXOCLBWPX-OAHLLOKOSA-N 340.445 0.999 0 50 ECAA C=CC(=O)N(C)CC(=O)NCC(C)(C)[C@H]1COCC12OCCO2 861951659 DGLGEPQXAUJWRF-GFCCVEGCSA-N 326.393 0.163 0 50 ECAA Cn1nc([C@@H]2C[C@@H](O)[C@@H](CNC(=O)c3cccc(F)c3)C2)n(C)c1=O 952849639 YXCQNNVFFFJKGR-OUCADQQQSA-N 348.378 0.542 0 50 ECAA COc1cc(CC(=O)N2CCC([C@@H]3CC[C@H](C(N)=O)O3)CC2)ccn1 952888347 GOSSQQNIJATTSM-LSDHHAIUSA-N 347.415 0.904 0 50 ECAA COc1ccccc1CC(=O)N1CCN([C@@]2(C(N)=O)CCOC2)CC1 886077918 QXNCZORXFGENMJ-SFHVURJKSA-N 347.415 0.026 0 50 ECAA CN[C@H]1C(F)=CC=C[C@@H]1C(=O)N1C[C@H](n2ccnn2)[C@H](N(C)C)C1 888094223 FYRWVPLHGGAAGB-PMOUVXMZSA-N 334.399 0.219 0 50 ECAA O=C(NC[C@@H]1Cc2ccccc2CN1)N1CCC(CO)(CO)CC1 892791014 ILDTUJIFBCMXKO-INIZCTEOSA-N 333.432 0.477 0 50 ECAA O=C(C1CCCC1)N1CC(S(=O)(=O)NCCc2ccnnc2)C1 1775990549 BYWDNRLNZATQRV-UHFFFAOYSA-N 338.433 0.340 0 50 ECAA O=C(CCN1CCCCO1)NC[C@@H](c1cccnc1)N1CCOCC1 55307058 UJESWMZITKGTBR-KRWDZBQOSA-N 348.447 0.989 0 50 ECAA O=C(CN1CCN(c2ccccn2)CC1)Nc1cnccc1CO 345208174 MQTCQNCOZAEVND-UHFFFAOYSA-N 327.388 0.730 0 50 ECAA CC[C@H](COC)NS(=O)(=O)c1sc2c(c1C(=O)O)CCNC2 67541405 XXJYKJHHKNSYAE-MRVPVSSYSA-N 348.446 0.795 0 50 ECAA CCc1nc(CN2CCC[C@@H](N(C)C[C@@H](O)Cn3cccn3)C2)no1 229562451 ACFCQIQUIMDXAY-HUUCEWRRSA-N 348.451 0.786 0 50 ECAA Cc1nn(C)c(C(=O)Nc2cnn(C)c2C(N)=O)c1Br 2778230 RNHONLKHMZBNQI-UHFFFAOYSA-N 341.169 0.576 0 50 ECAA O[C@@]1(CNCCc2csc(-c3cnccn3)n2)CNCCOC1 77504567 CWNRIUUMSYZPEJ-HNNXBMFYSA-N 335.433 0.083 0 50 ECAA COC[C@@H](NC(=O)C1=C(C)N(C)c2nnnn2C1)c1ccc(C)o1 253418168 HOXGEEFSHLZSPH-GFCCVEGCSA-N 332.364 0.802 0 50 ECAA CS(=O)(=O)c1cnc(NCCCCO)nc1[C@H]1CCCNC1 72407925 KOKVNQKAOWKDNQ-NSHDSACASA-N 328.438 0.532 0 50 ECAA CN1C(=O)C2(CCN(C(=O)C[C@@H]3CNCCO3)CC2)c2ccccc21 72167898 OCYSQSJQJYBMOB-CQSZACIVSA-N 343.427 0.902 0 50 ECAA O=C(O)[C@H]1CCCCN1S(=O)(=O)c1ccc(-n2cnnn2)cc1 262689126 VRTGHRBBGXWGKU-GFCCVEGCSA-N 337.361 0.290 0 50 ECAA Cc1ccc(C)c(N2CCN(C(=O)CC[C@@H]3NC(=O)NC3=O)CC2)c1 156866626 KNIGGMINTQSLGL-AWEZNQCLSA-N 344.415 0.940 0 50 ECAA C[C@@H]1C[C@H](CN)CN1C(=O)c1nc(S(C)(=O)=O)n2ccccc12 261923059 IUTGWIFZNYBABF-GHMZBOCLSA-N 336.417 0.547 0 50 ECAA NC(=O)N[C@H](CO)C(=O)NC1CCN(c2ccc(Cl)cc2)CC1 372498490 XFNAXFIDTRCVSB-CYBMUJFWSA-N 340.811 0.454 0 50 ECAA Cn1cc([C@H](NC(=O)c2cnc3cccnn23)[C@H]2C[C@H](O)C2)cn1 219290821 IEFSJENSHFYNQW-IFUGULHKSA-N 326.360 0.705 0 50 ECAA CCc1nc(N2CCC(c3nnc(CN(C)CCO)n3C)CC2)no1 77469897 QQPIIUNBBBXNED-UHFFFAOYSA-N 349.439 0.569 0 50 ECAA CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@H]1CS[C@]2(C)CCC(=O)N12 239426014 VPKVXXNWPPTUNY-ATEUNZGCSA-N 343.405 0.218 0 50 ECAA O=C(CN1C(=O)CNC1=O)N[C@H]1[C@@H]2CCO[C@@H]2[C@@H]1Cc1ccccc1 222327646 HIAUMBNARVFPTJ-RMHZUWNSSA-N 343.383 0.301 0 50 ECAA Nc1[nH]nc(C(=O)NCCn2ncc3ccccc3c2=O)c1Cl 223897225 NEXRXGDMDLMJFR-UHFFFAOYSA-N 332.751 0.785 0 50 ECAA Cc1nnc(CCNC(=O)C[C@H]2C(=O)NCCN2C(C)C)s1 221210278 RVSPZLKGEOWGHE-NSHDSACASA-N 325.438 0.104 0 50 ECAA O=C(NCCc1ccncc1)c1ccc(S(=O)(=O)NCCO)cc1 91626022 JGSDTVADPGCWQZ-UHFFFAOYSA-N 349.412 0.325 0 50 ECAA O=C(COc1ccccc1)N1CCN(C(=O)C[C@H]2CNCCO2)CC1 97743459 KGYJWZVPYDAQAQ-INIZCTEOSA-N 347.415 0.115 0 50 ECAA CC1(C)O[C@@H]2O[C@H](C(=O)N3CCOCC3)[C@@H]3OC(C)(C)O[C@H]3[C@H]2O1 239433641 YGHHPTIFHNREJN-DIACKHNESA-N 343.376 0.242 0 50 ECAA COc1cccn(CC(=O)N2CCC[C@]3(CC2)CN(C)C(=O)O3)c1=O 95529351 LKRXGMCTUGTGHB-KRWDZBQOSA-N 349.387 0.690 0 50 ECAA O=C1CC[C@H](C(=O)N(CCO)CCO)CN1Cc1ccccc1F 91644402 RYTNWCJOYXTLNA-AWEZNQCLSA-N 338.379 0.378 0 50 ECAA CCN1C[C@H](C(=O)N2CCCN(Cc3ccccn3)CC2)CC1=O 91933172 WBQJZUCXZGKBNO-OAHLLOKOSA-N 330.432 0.984 0 50 ECAA COc1ccnc(N2CCC3(CC2)C[C@H](C(=O)O)N(C(C)=O)C3)n1 91830024 NJQVOQYCRCIVGU-GFCCVEGCSA-N 334.376 0.777 0 50 ECAA COc1ccc([C@H](NC(=O)CCn2cnnn2)[C@H]2C[C@@H](O)C2)cn1 243885615 AAVXSOOIBBLKPW-ZOWXZIJZSA-N 332.364 0.095 0 50 ECAA CN1CCc2c(CNC(=O)[C@@H]3CCCO3)c3c(c(O)c2C1=O)OCO3 604405085 PRPIHTQSYOYFRF-NSHDSACASA-N 348.355 0.544 0 50 ECAA biogenic CNC(=O)c1cccc(NC(=O)NCCCN2CCNC(=O)C2)c1C 299762662 YCDDYVGWJZDARE-UHFFFAOYSA-N 347.419 0.298 0 50 ECAA C[C@H]1CN(CCC(=O)N2CCN(C(=O)c3ccc[nH]3)CC2)C[C@@H](C)O1 299768936 NQMUHMXXLGWAAI-GASCZTMLSA-N 348.447 0.798 0 50 ECAA Cc1cc(C)n(CCC(=O)N2CCCN(C(=O)c3cn[nH]c3)CC2)n1 940355249 CAARWLGOSVFMIR-UHFFFAOYSA-N 344.419 0.988 0 50 ECAA NC(=O)NCC(=O)N1C[C@@H]2CC[C@H]1CN(Cc1ccc(F)cc1)C2 1565508906 VQPWXACPRSUXLI-HIFRSBDPSA-N 334.395 0.917 0 50 ECAA CC(C)[C@H]1CN(C(=O)CCCn2cncn2)C[C@@H]1NC(=O)N(C)C 1565526585 SJOKRMSARIFNFX-KGLIPLIRSA-N 336.440 0.813 0 50 ECAA COc1cc(NC(=O)Nc2cc[nH]n2)ccc1S(=O)(=O)N(C)C 408514601 UGPJUYWCJZNGHZ-UHFFFAOYSA-N 339.377 1.313 0 50 ECAA CNC(=O)C[C@]1(O)CCCN(C(=O)c2cccnc2OC(C)C)C1 644034721 XZQPWGNIKUVZRU-QGZVFWFLSA-N 335.404 0.972 0 50 ECAA CC1(C(=O)N2CCCN(C(=O)Cc3cc(O)nnc3O)CC2)CC1 1529161207 CDGMSJGXQNYJFR-UHFFFAOYSA-N 334.376 0.291 0 50 ECAA Cc1cccc(S(=O)(=O)NCc2nnn(C)n2)c1Br 331132287 UBWKBSBGWFMTNZ-UHFFFAOYSA-N 346.210 0.760 0 50 ECAA Cn1ccnc1CN1C[C@@H]2COC[C@H](C1)N(CCCn1cccn1)C2 1772710699 ZPRUPEHMGBPENR-IRXDYDNUSA-N 344.463 0.840 0 50 ECAA CCNC(=O)COc1ccc(Cc2c[nH]c(=N)[nH]c2=N)cc1OC 1857532134 ONCNDNLTPGOGIN-UHFFFAOYSA-N 331.376 0.416 0 50 ECAA Oc1n[nH]c(Cn2ccnc2-c2cnc(NC[C@@H]3CCCO3)nc2)n1 1857711060 YYSHTURQSBBQPD-NSHDSACASA-N 342.363 0.803 0 50 ECAA 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C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)N1CCC[C@@H](c2ccncn2)C1 229495554 GCPRBBFEOHSLBN-RBSFLKMASA-N 345.447 0.768 0 50 ECAA O=C(C[C@@H]1CNCCO1)N1CCN(c2ncnc3ccccc23)CC1 77320208 OCNZTNXTBUQMDJ-CQSZACIVSA-N 341.415 0.657 0 50 ECAA Cc1ccc(NC(=O)[C@H]2CNCCN2C(=O)Cc2cc(C)no2)cn1 72174504 IMVIRNRBAKOTLD-OAHLLOKOSA-N 343.387 0.668 0 50 ECAA Cc1c(C(=O)N2CCO[C@@H](CN(C)CC(N)=O)C2)oc2ccccc12 372527820 UNQKFSBDLJXWCP-ZDUSSCGKSA-N 345.399 0.999 0 50 ECAA CCS(=O)(=O)CC(=O)N[C@@H]1COCC[C@@H]1Oc1ccc(F)cc1 220640914 DMKLEICCSFZBNM-KGLIPLIRSA-N 345.392 0.913 0 50 ECAA COCCn1cnnc1S[C@H]1CCCN(c2ccn(C)n2)C1=O 133026191 QVBLBNIANFWTEZ-NSHDSACASA-N 336.421 0.946 0 50 ECAA CNCc1cn(C[C@H]2CCCN(c3ncnc4[nH]cnc34)C2)nn1 48209672 RAOPNNAYILKMPV-NSHDSACASA-N 327.396 0.580 0 50 ECAA COCCc1noc([C@H](C)NC(=O)N2Cc3nc(C)nc(O)c3C2)n1 426563106 RMEKRBUJXZPTEL-QMMMGPOBSA-N 348.363 0.849 0 50 ECAA CS(=O)(=O)N1CCc2[nH]cnc2C12CCN(c1ncccn1)CC2 91964591 GSZZCPRLGURYEK-UHFFFAOYSA-N 348.432 0.513 0 50 ECAA O=C(CCn1cncn1)N1C[C@H](CO)[C@H](CN2CCCCCC2)C1 91563506 AZLOWUQPIYRWOF-HZPDHXFCSA-N 335.452 0.611 0 50 ECAA O=C(CN1CCCC1)N1CCn2nc(CNc3cnccn3)cc2C1 426635636 XBEQCAYEQRWVAV-UHFFFAOYSA-N 341.419 0.723 0 50 ECAA Cc1nc(O)c(C(=O)N2C[C@H](O)[C@@H](N3CCOCC3)C2)c(C)c1C 426503624 WEOVYHDZECXWTP-KBPBESRZSA-N 335.404 0.230 0 50 ECAA O=C(NCCSc1cn[nH]n1)[C@H]1CC(=O)N(Cc2ccccn2)C1 91859338 VKCNGZRIMVAQNW-NSHDSACASA-N 346.416 0.457 0 50 ECAA Cn1c(C(=O)NC[C@@H]2OCCc3ccccc32)cc(=O)n(C)c1=O 95376785 KCYCPPROPLWASA-AWEZNQCLSA-N 329.356 0.128 0 50 ECAA O=C(N[C@@H]1CCN(Cc2ccccn2)C[C@H]1O)C(=O)c1ccco1 244882697 XWSDBXIIOSZCAS-ZIAGYGMSSA-N 329.356 0.609 0 50 ECAA Cn1c(CO)nnc1[C@H]1C[C@H](NC(=O)CN2Cc3ccccc3C2)C1 244853043 VEENNVIWYPUICI-SHTZXODSSA-N 341.415 0.685 0 50 ECAA CSCC[C@H](CO)NC(=O)CCc1c(C)nc2ncnn2c1O 252528010 DXVHWUAIZXESHH-SNVBAGLBSA-N 339.421 0.301 0 50 ECAA NC(=O)[C@@]1(O)CCN(Cc2nc(N)c3c4c(sc3n2)CCCC4)C1 298346096 BPDSZTGDQCMHCB-MRXNPFEDSA-N 347.444 0.574 0 50 ECAA CN1C[C@@H](C(=O)N2CCN(c3cnn(C)c3)CC2)[C@H](C(F)(F)F)C1 299739750 AOLZDBAHXYUYMJ-CHWSQXEVSA-N 345.369 0.809 0 50 ECAA CC(C)n1cnnc1CCNC(=O)[C@@H]1CSC(C)(C)C(=O)N1 299777968 GFFSJHPGKDQTAP-JTQLQIEISA-N 325.438 0.528 0 50 ECAA CC1(C)SC[C@H](C(=O)NCc2cccc(-c3nnn[nH]3)c2)NC1=O 299778484 JLNCWBBECFXOQF-LLVKDONJSA-N 346.416 0.493 0 50 ECAA COCCN1CCC[C@H](CNS(=O)(=O)N2CCC(OC)CC2)C1 824413178 SHCWOUKTPQOVKT-CQSZACIVSA-N 349.497 0.290 0 50 ECAA CCc1nccn1CCCNS(=O)(=O)N1CCC[C@H]1COC 670438458 TYCWRGVAHPTJGG-ZDUSSCGKSA-N 330.454 0.781 0 50 ECAA Cc1cccc(NC(=O)CCNC(=O)CN2C(=O)NC(=O)C2(C)C)c1 670467963 FNPHHBINKPQFSD-UHFFFAOYSA-N 346.387 0.770 0 50 ECAA O=C(NCC[C@@H]1CCCS1(=O)=O)c1cc(O)nc(C2CC2)n1 1363549711 XEFRWVDUPYFCDK-JTQLQIEISA-N 325.390 0.757 0 50 ECAA Cn1ccnc1CN1C[C@@H]2CC[C@H]1CN(C(=O)c1cnccn1)C2 1565530713 YNQPWEYTVHVZHD-KBPBESRZSA-N 326.404 0.947 0 50 ECAA CNC(=O)c1ccn([C@@H]2CCCN(CC(=O)Nc3cc(C)no3)C2)n1 275591826 GEXLNKXDCYEADP-GFCCVEGCSA-N 346.391 0.815 0 50 ECAA CN(CCN1CCCS1(=O)=O)C(=O)c1cccc(CC(=O)O)c1 649257314 FHSMFODBIVHVQU-UHFFFAOYSA-N 340.401 0.421 0 50 ECAA Cc1ccc(CC(=O)N2CCN(C(=O)Cc3n[nH]c(C)n3)CC2)cc1 667864232 TXADDCSTJKZJPQ-UHFFFAOYSA-N 341.415 0.878 0 50 ECAA CCCc1ccc(CN2C[C@H](O)[C@H](CS(=O)(=O)N(C)C)C2)o1 1529100005 LTPQRQCXIWNPQS-WFASDCNBSA-N 330.450 0.916 0 50 ECAA Cc1cc(C[C@@H]2CN(Cc3c(CO)cnc(C)c3O)C[C@H]2O)n[nH]1 1529134069 ZSBVXALNQNKTMI-MLGOLLRUSA-N 332.404 0.655 0 50 ECAA CC(=O)NC[C@@H]1CN(c2ccc(N3CCOCC3=O)cc2)C(=O)O1 214495191 ZINXMVCVGXRHDV-CQSZACIVSA-N 333.344 0.511 0 50 ECAA CC(C)=CCN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)CCn1cnnn1)C2 216444415 KYFFKHBQQIMWSX-KGLIPLIRSA-N 332.408 0.479 0 50 ECAA CCc1cc(C(=O)N2CC[C@H]3[C@H](CCC(=O)N3CCNC)C2)n(C)n1 216974532 QKWNTGUPCKLMAZ-HIFRSBDPSA-N 347.463 0.655 0 50 ECAA O=C(C1CC1)N1CCCN(c2nccc(N3CC[C@@H](O)C3)n2)CC1 1772810248 FEWUKMNBGVLUTC-CQSZACIVSA-N 331.420 0.496 0 50 ECAA CN(C)S(=O)(=O)N1CCC(C(=O)NCc2cccnc2)CC1 13681451 NQTFSQGERNJQEC-UHFFFAOYSA-N 326.422 0.216 0 50 ECAA C[C@H](O)[C@H]1NC(=O)[C@@H]2C[C@H](NCc3ccc(Cl)cc3)CN2C1=O 14748182 YVSJWDAISXDFHC-NZPIUUIZSA-N 337.807 0.278 0 50 ECAA CN(C)[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)c3n[nH]c4ccccc34)C[C@@H]12 1857668010 DVHDFIORTINSEY-YUTCNCBUSA-N 348.428 0.362 0 50 ECAA CN(c1ccc(C(=O)N2C[C@@H]3CC(=O)N[C@@H]3C2)cc1)S(C)(=O)=O 1857681377 BSUYHHXZLJSUCI-WCQYABFASA-N 337.401 0.043 0 50 ECAA NC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(Br)cc1 216526793 YJGKCFSTDWFTKV-SCZZXKLOSA-N 349.206 0.058 0 50 ECAA CCc1nnc2ccc(N3C[C@@H](O)[C@H](Oc4cnn(C)c4)C3)nn12 624422772 HEAOAQNJXNYXAR-VXGBXAGGSA-N 329.364 0.049 0 50 ECAA CS(=O)(=O)N[C@H]1CCN(C(=O)Cn2cc(-c3ccccc3)nn2)C1 119504341 JEWFPPDJCDPHDP-ZDUSSCGKSA-N 349.416 0.095 0 50 ECAA C[C@@H]1CCC[C@@H](C)N1C(=O)CN1CCC[C@@H](CNS(N)(=O)=O)C1 229795467 ZNXUSPBSDMRNQO-MCIONIFRSA-N 346.497 0.281 0 50 ECAA Cc1cccc(CNC(=O)CN2CC[C@](O)(Cn3ccnn3)C2)c1 671554469 AJXCPLKAZPDXCW-QGZVFWFLSA-N 329.404 0.340 0 50 ECAA Nc1ncc2c(n1)[C@@]1(CCCN(c3cc4nncn4c(N)n3)C1)CC2 1704312915 DZNJDUOQKCSRDH-INIZCTEOSA-N 337.391 0.563 0 50 ECAA COc1cc(CCNC(=O)[C@@H]2Cn3c(C)nnc3CN2)ccc1C 818121908 KOVMOKJOOVPRDQ-AWEZNQCLSA-N 329.404 0.734 0 50 ECAA Cc1nnc2n1C[C@H](C(N)=O)N(C(=O)CCc1cc(F)ccc1F)C2 818350114 QRRXPGIXYGHHKJ-CYBMUJFWSA-N 349.341 0.694 0 50 ECAA COc1ccc(CCS(=O)(=O)NC(=O)[C@@H]2C[C@H]2C(=O)O)cc1 863959320 AGRLNFDNJWNFOQ-VXGBXAGGSA-N 327.358 0.404 0 50 ECAA COc1cccc(CCNC(=O)c2cc(S(N)(=O)=O)ccn2)c1 1875339145 AWRIVQJVZALPRG-UHFFFAOYSA-N 335.385 0.710 0 50 ECAA CCn1cc(CC(=O)N2CCn3c(nn(CC(F)F)c3=O)C2)cn1 888091102 IUQJBQAHBNDAHI-UHFFFAOYSA-N 340.334 0.111 0 50 ECAA CC(C)[C@H]1N(C)C[C@]12C[C@@H](O)[C@H](NC(=O)c1cnn3c1OCCC3)C2 888094807 KASRBEOADIMESF-ADAWSYLGSA-N 348.447 0.875 0 50 ECAA CNC(=O)Cc1nc(-c2cc(-c3ccccc3F)[nH]n2)n(CCO)n1 2356142061 BTIXVLWRZDLEPK-UHFFFAOYSA-N 344.350 0.755 0 50 ECAA C[C@@H](C(=O)N1CCC[C@H]1C(=O)O)n1c(=O)[nH]c2ccccc2c1=O 6908427 FNWDLLVMQJJVLV-CABZTGNLSA-N 331.328 0.326 0 50 ECAA biogenic CNC(=O)[C@@H]1C[C@@H](N)CN1C(=O)c1cnc(-c2ccccc2)nc1C 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0 50 ECAA CCn1nc2c(cc1=O)CN([C@H](C)C(=O)NC[C@H]1CCCO1)CC2 257366296 QWRQJUJNEJQPSO-TZMCWYRMSA-N 334.420 0.305 0 50 ECAA NC[C@H]1CN(C(=O)COc2ccc(N3CCCC3=O)cc2)CCO1 364197980 XBFJPPJMWUVSLV-HNNXBMFYSA-N 333.388 0.378 0 50 ECAA C[C@@H]1C(=O)NCCCN1S(=O)(=O)c1ccc(CN(C)C)cc1 332322091 ZRVZBMWBHDZFLW-GFCCVEGCSA-N 325.434 0.647 0 50 ECAA Cc1ccccc1OC1(C(=O)O)CCN(C(=O)CNC(N)=O)CC1 72458319 IYYIXQSXPDCRPU-UHFFFAOYSA-N 335.360 0.488 0 50 ECAA O=C(NCc1cc(N2CCOCC2)ncn1)c1cnn2c1CCCC2 72439697 BUURYBBRRTXRQW-UHFFFAOYSA-N 342.403 0.776 0 50 ECAA Cc1cnc(Cn2ccnc2-c2cnc(NCC(=O)O)nc2)cn1 71614084 GRNUFZBVGSBZBK-UHFFFAOYSA-N 325.332 0.983 0 50 ECAA C[C@@H]1C[C@H]1C(=O)NCCC(=O)N1CCCC[C@H]1CNS(C)(=O)=O 241719943 QQYXNXKBUZYSGK-FRRDWIJNSA-N 345.465 0.079 0 50 ECAA Cc1nc(CN2CCN(C(=O)c3n[nH]c(N)c3Cl)CC2)no1 222310368 MYJCZWNGQAKJFE-UHFFFAOYSA-N 325.760 0.295 0 50 ECAA O=C(c1ccc(N2CCCC2)nn1)N1CCN(C[C@@H]2CCOC2)CC1 178104616 PJWATMWIOQLIHU-HNNXBMFYSA-N 345.447 0.871 0 50 ECAA CN1CC[C@@H]2OCCN(C(=O)c3ccc(N4CCNC4=O)cc3)[C@@H]2C1 285942089 VRTRGCXAQIVGPD-CVEARBPZSA-N 344.415 0.761 0 50 ECAA CN(C)[C@@H]1[C@@H](NC(=O)COc2ncnc3ccccc23)[C@H]2CCO[C@H]21 223800789 CRSVZFMGNIHNQS-VJUNAUMWSA-N 342.399 0.842 0 50 ECAA O=C(O)Cn1ccc([C@@H]2CCCN(C(=O)CN3CCOCC3)C2)n1 426445515 JEMHUHRFPNWBQP-CYBMUJFWSA-N 336.392 0.006 0 50 ECAA OC1CCN(c2ccnc(N3CCC4(CC3)[C@@H](O)C[C@H]4O)n2)CC1 91725125 NYNMDIKGTRJIFT-OKILXGFUSA-N 334.420 0.150 0 50 ECAA C[C@H](NC(=O)CNS(=O)(=O)c1cccs1)c1nnc(N)s1 244701200 KCCHWTFLCQPBAS-LURJTMIESA-N 347.447 0.338 0 50 ECAA COCCn1c(CN2CCCN3CCC[C@H]3C2)nnc1[C@H]1C[C@@H](N)C1 244712707 KVBMRFWVRQQYKM-XHSDSOJGSA-N 348.495 0.799 0 50 ECAA Nc1ncc(C(=O)NCCN2CCCC[C@@H]2CO)c(C(F)(F)F)n1 244734654 NJPFGPNBIGKKDQ-SECBINFHSA-N 347.341 0.654 0 50 ECAA CCn1c(CNCc2ccc(C(=O)NC)o2)nnc1[C@H]1C[C@@H](N)C1 252527681 DDLKZEBIUQIYKY-PHIMTYICSA-N 332.408 0.745 0 50 ECAA CCn1cnnc1[C@H]1CCCN(c2nc(N)c3cnn(C)c3n2)C1 276593261 QGQKGWSLGUFPPI-JTQLQIEISA-N 327.396 0.941 0 50 ECAA O=C(CN1CCCC[C@H](O)C1=O)NCCn1cnc2ccccc21 644334529 HYUSOJMSRAJGDP-HNNXBMFYSA-N 330.388 0.526 0 50 ECAA CC(C)Oc1ccc(CNC(=O)CN2CCCC[C@@H](O)C2=O)cn1 644310699 AUNVGUVYDMAUMP-CQSZACIVSA-N 335.404 0.858 0 50 ECAA O=C(CC1(n2cnnn2)CCOCC1)N1CC[C@H](N2CCCC2)C1 668008940 INYVVDJLIAHQAZ-AWEZNQCLSA-N 334.424 0.266 0 50 ECAA CNC(=O)Cn1cc(NC(=O)CCn2nc(C)c(C(C)=O)c2C)cn1 1506411164 OMPGEHIOQDWOJZ-UHFFFAOYSA-N 346.391 0.674 0 50 ECAA CCN1CCN(CC(=O)N2CCO[C@H](CO)[C@H]2c2ccccc2)CC1 1529184662 CHMAQWJQPVMXEB-IEBWSBKVSA-N 347.459 0.585 0 50 ECAA COc1ncccc1CN1CCCN(C(=O)CCn2cnnc2)CC1 1529100334 QJHGZCGGUCACAI-UHFFFAOYSA-N 344.419 0.806 0 50 ECAA O=C(c1cc(O)nc(C2CC2)n1)N1CCC[C@H](N2CCNC2=O)C1 1647260556 XIKCDTKKYQNMNE-NSHDSACASA-N 331.376 0.689 0 50 ECAA Cn1ccc(NC(=O)CC[C@H]2NC(=O)c3ccccc3NC2=O)n1 169772644 YPLUPTTWQCUIKJ-GFCCVEGCSA-N 327.344 0.890 0 50 ECAA CN(CC[C@@H](O)c1ccccc1)C(=O)c1cc(-n2cnnn2)n[nH]1 1857677809 NKWWPOMOQVBKHA-CYBMUJFWSA-N 327.348 0.581 0 50 ECAA 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CC1=C(C(=O)Nc2cccc(C)c2C(N)=O)Cn2nnnc2N1C 282940231 DIZXSSZAUDLARC-UHFFFAOYSA-N 327.348 0.443 0 50 ECAA CC(C)(C)CS(=O)(=O)N1CCN([C@H]2CCNC(=O)CC2)CC1 452023535 NRWDOYDUBNHWBU-CYBMUJFWSA-N 331.482 0.649 0 50 ECAA CN(Cc1cnn(-c2ccccc2)c1)C(=O)c1cc(=O)[nH]c(O)n1 77407173 UMJYNLRGIGZSPE-UHFFFAOYSA-N 325.328 0.933 0 50 ECAA C[C@H](NC(=O)c1ccc(Cn2ccccc2=O)o1)c1nnnn1C 241588559 PEBHPDOSHDZLRX-JTQLQIEISA-N 328.332 0.504 0 50 ECAA O=C(N[C@H]1CC(=O)N(C2CC2)C1)c1ccnc(NC(=O)C2CC2)c1 285979135 GKUDKVKFGIVKHT-LBPRGKRZSA-N 328.372 0.923 0 50 ECAA O=C(Cc1c[nH]c2ccccc12)N[C@H]1COC[C@@H]1N1CCOCC1 223765372 RUFFJGPHUJZWEB-IRXDYDNUSA-N 329.400 0.926 0 50 ECAA COCc1noc(CCNC(=O)Cn2cnc3ccccc3c2=O)n1 220144272 KCUWOJZPFKLVOZ-UHFFFAOYSA-N 343.343 0.285 0 50 ECAA CS(=O)(=O)NCCC(=O)N1CCC(Oc2ccncc2)CC1 426555671 RLLRAESAWAWBES-UHFFFAOYSA-N 327.406 0.391 0 50 ECAA COCCc1nc(COCC(N)=O)n(-c2ccc3c(c2)CCC3)n1 97776232 OVEZFVFOPHUPKK-UHFFFAOYSA-N 330.388 0.947 0 50 ECAA Cc1n[nH]c(C)c1[C@H](N)C(=O)N1C[C@]2(C)CN(C)C[C@](C)(C1)C2O 91650757 DGGZISIEXLYEML-LNRIEFBSSA-N 335.452 0.187 0 50 ECAA O[C@@H]1CN(Cc2ccc3c(c2)OCO3)CCN(c2cnccn2)C1 97575065 WYCDZILBOQBRBS-CQSZACIVSA-N 328.372 0.888 0 50 ECAA CN1C(=O)C[C@@H](C(=O)O)C12CCN(C(=O)CCc1cnn(C)c1)CC2 91713067 XVCQXPSLONVERM-ZDUSSCGKSA-N 348.403 0.277 0 50 ECAA CC(C)[C@H]1CN(S(=O)(=O)N(C)C)C[C@@H]1Nc1ccnc(N)n1 91644779 GDEFYSXTAIGEDT-MNOVXSKESA-N 328.442 0.234 0 50 ECAA O=C(NCc1ncc[nH]1)[C@H]1CCC(=O)N(CCCN2CCCC2=O)C1 91587122 PJEJLKIVFJTXPN-ZDUSSCGKSA-N 347.419 0.277 0 50 ECAA Cc1cc(C(=O)N[C@H]2CCc3c[nH]nc3C2)cc(S(N)(=O)=O)c1C 370433824 POAJZJBUMJLYMP-ZDUSSCGKSA-N 348.428 0.961 0 50 ECAA CNC(=O)c1ccc(S(=O)(=O)N(C)CCc2noc(C)n2)cc1 285239457 BOZOAONMQRFBQW-UHFFFAOYSA-N 338.389 0.601 0 50 ECAA Nc1nc([C@@H]2CCOC2)cc(N2CCC(O)(Cn3ccnc3)CC2)n1 299796981 OQARCHXEAKPSGT-CYBMUJFWSA-N 344.419 0.791 0 50 ECAA Cc1cc(CC(=O)NCC[C@@H]2CCCCN2S(C)(=O)=O)on1 299768042 IBOOIMHWCQXJNZ-LBPRGKRZSA-N 329.422 0.846 0 50 ECAA Cc1nnc2n1C[C@H](CN(C)C)N(C(=O)c1ccc3nonc3c1)C2 685943030 QDMITZLSXRYOFO-LBPRGKRZSA-N 341.375 0.709 0 50 ECAA Cn1nnc2c1C[C@H](C(=O)N1CCN[C@@H](Cc3ccccc3)C1)CC2 1363557167 ULLOWEAPZIILAJ-CVEARBPZSA-N 339.443 0.963 0 50 ECAA O=C(CCn1cnnc1)N[C@H]1CCN(C(=O)c2ccccc2)C[C@@H]1O 1565515181 GZWWYNIKEWPJQZ-GJZGRUSLSA-N 343.387 0.060 0 50 ECAA CC(C)CN1CCN(C(=O)CN2CCCCC2=O)C[C@@H]1CCO 952971383 DNXGANNJXYANES-HNNXBMFYSA-N 325.453 0.550 0 50 ECAA CN1C[C@@H](C(=O)NCc2cccc(CN3CCCC3=O)c2)NC1=O 408523327 RCPDAIVXKOMWQS-AWEZNQCLSA-N 330.388 0.449 0 50 ECAA CN1CCN(C(=O)Cc2cccc(NC(=O)[C@@H]3C[C@H]3C(=O)O)c2)CC1 649462241 MRDGXAQAOGUHEG-HUUCEWRRSA-N 345.399 0.662 0 50 ECAA COC[C@@H]1CCCN(S(=O)(=O)N2CC(n3nc(C)cc3C)C2)C1 1506396575 VLPRIOAHRKTDLV-CQSZACIVSA-N 342.465 0.960 0 50 ECAA COC(=O)c1coc(CN2C[C@H](C(C)C)[C@@H](NS(C)(=O)=O)C2)n1 213156291 WIJBGPVOIHEMII-MNOVXSKESA-N 345.421 0.467 0 50 ECAA c1n[nH]c2c1CN(c1nc3nonc3nc1N1CCSCC1)CC2 12316313 XTQFEOOSSVCKBH-UHFFFAOYSA-N 344.404 0.852 0 50 ECAA CC(C)[C@H]1NC(=O)[C@H]2CN(C(=O)NCc3ccccc3)CCN2C1=O 14530354 IXHPWPAFVBBYSQ-HUUCEWRRSA-N 344.415 0.563 0 50 ECAA COC(=O)CNS(=O)(=O)c1cc(Cl)sc1C(=O)OC 16189816 SHOKLCGTXCHVRZ-UHFFFAOYSA-N 327.767 0.639 0 50 ECAA O=C(NCc1ccccc1Cn1cccn1)c1cc(-n2cnnn2)n[nH]1 1857680821 VMFMVKPWTKBCFU-UHFFFAOYSA-N 349.358 0.560 0 50 ECAA CCOC(=O)N1CCN([C@@H]2CC(=O)N(c3ccc(O)cc3)C2=O)CC1 19881578 SDQREXCILQSZRN-CQSZACIVSA-N 347.371 0.798 0 50 ECAA O=C(O)[C@H](CNc1ccnc(N2CCOCC2)n1)C1CCOCC1 863734732 JPMBDRCQCYNNOC-CYBMUJFWSA-N 336.392 0.853 0 50 ECAA O=C([C@@H]1C[C@]12CCNC2)N1CCc2nnc(N3CCCC3)cc2C1 952892764 CNRMFEDDMYSQBA-KSSFIOAISA-N 327.432 0.961 0 50 ECAA CCC(=O)N1CCCN(S(=O)(=O)c2cnc3ccccn23)CC1 1875289578 BJWSWYOQQKCEEX-UHFFFAOYSA-N 336.417 0.967 0 50 ECAA CCOc1ccc(-n2ncc(C(=O)NC/C=C/C(=O)OC)c2C)nn1 1875311692 KCCLNTHBQGADSC-AATRIKPKSA-N 345.359 0.828 0 50 ECAA Cc1ncc(C(=O)N2CCN([C@]3(C(=O)O)CCOC3)CC2)c(C)n1 886078357 XBSBRZGORODEHT-MRXNPFEDSA-N 334.376 0.095 0 50 ECAA O=C(c1coc(CC2CC2)n1)N1CCC[C@@](O)(Cn2ccnn2)C1 886041248 DYKDSUZUJOXOPP-INIZCTEOSA-N 331.376 0.886 0 50 ECAA O=C1CCN(C(=O)Nc2cnn(-c3ccccc3)n2)[C@H]2COCCN12 1776003062 TWZSKBAWXZIYAS-AWEZNQCLSA-N 342.359 0.690 0 50 ECAA CC1(C)CC(=O)N[C@H]1CNS(=O)(=O)c1cn2c(n1)CCCC2 2325782532 FCLVRHMOUFKMMG-JTQLQIEISA-N 326.422 0.412 0 50 ECAA CN(C)S(=O)(=O)c1ccc(C(=O)NC(N)=C(Cl)Cl)o1 1857800281 KNZBRUNKPLRNSE-UHFFFAOYSA-N 328.177 0.823 0 50 ECAA Cc1cc(N2CCO[C@H](c3nnnn3C)C2)nc(N2CCCCC2)n1 2356168279 XCEZRGJKTGBLRG-ZDUSSCGKSA-N 344.423 0.877 0 50 ECAA COCCN1C[C@@H](C(=O)NCCSc2nccn2C)CCC1=O 12317362 WEAQEGQSNYITSB-LBPRGKRZSA-N 340.449 0.513 0 50 ECAA NS(=O)(=O)CCCC(=O)N1CCO[C@H](c2ccc(F)cc2)C1 71639684 FEKDMHQCGNEEOW-ZDUSSCGKSA-N 330.381 0.794 0 50 ECAA CC(C)Oc1ccc(NC(=O)N2CC[C@@H](C)S(=O)(=O)CC2)nn1 375477756 FTEJFNOHZBNNSI-LLVKDONJSA-N 342.421 1.305 0 50 ECAA O=C(Cc1noc2ccccc12)N1CCN(c2ncc[nH]c2=O)CC1 215718733 LTSICWUUVHKBPF-UHFFFAOYSA-N 339.355 0.802 0 50 ECAA O=C(Cc1c[nH]c2ncccc12)N1CCC[C@](O)(Cn2ccnn2)C1 284509941 DOZFGABZGDPXHH-QGZVFWFLSA-N 340.387 0.751 0 50 ECAA CC(C)c1nc2n(n1)C[C@H](NC(=O)c1cnc(C(=O)O)cn1)CC2 263422059 LIVCRELIDBIQHU-SECBINFHSA-N 330.348 0.635 0 50 ECAA Cn1cc([C@@H](NC(=O)c2ccn3nnnc3c2)[C@H]2C[C@@H](O)C2)cn1 222863746 DZAYFVRCNCNNRW-JKOKRWQUSA-N 327.348 0.100 0 50 ECAA CC(C)[C@@H]1CN(c2cc(C(=O)O)ccn2)C[C@H]1NS(C)(=O)=O 82155930 VVAZDMIPVQNFIM-NWDGAFQWSA-N 327.406 0.790 0 50 ECAA Cc1noc(CC2CCN(C(=O)[C@H]3CCCN(CC(N)=O)C3)CC2)n1 91754730 IGWAXCHPVMCTON-AWEZNQCLSA-N 349.435 0.356 0 50 ECAA O=C([C@@H]1CCCCn2nnnc21)N1CCN(c2nccs2)CC1 97785492 ONIGYZDPDBWSRG-LLVKDONJSA-N 333.421 0.746 0 50 ECAA O=C(Cn1cncn1)N1CC[C@@]2(CCCN(CC3CCC3)C2=O)C1 91914744 VHZLSQZEZLBJMM-KRWDZBQOSA-N 331.420 0.919 0 50 ECAA CN(C)C(=O)CN1C(=O)[C@H]2CC[C@@H]1CN(Cc1cccc(O)c1)C2 91644325 SONSOIAZHBGWCO-LSDHHAIUSA-N 331.416 0.903 0 50 ECAA O=C(O)[C@@H]1COCCN1C(=O)CCN1C(=O)CCc2ccccc21 299752529 UMJSJERAWOLBSW-AWEZNQCLSA-N 332.356 0.668 0 50 ECAA Cc1ccc(C(=O)N2CCC[C@@H](C)[C@H]2CN)cc1S(N)(=O)=O 299739801 RLJVGNLXVVUNBD-ZWNOBZJWSA-N 325.434 0.842 0 50 ECAA Cc1cnn([C@@H](C)CNC(=O)CN2CCN(c3ncccn3)CC2)c1 534646046 JHKXVATUVNAWHP-HNNXBMFYSA-N 343.435 0.481 0 50 ECAA CO[C@@]12CC[C@H](OCC(=O)O)C[C@@H]1N(C(=O)c1nccn1C)CC2 299793393 IRIBMIJAKWCOJP-MQIPJXDCSA-N 337.376 0.674 0 50 ECAA C[C@H]1Oc2cc(NC(=O)NCCN3CCOCC3)ccc2N(C)C1=O 299766099 CJIYQZVGHQCVAJ-GFCCVEGCSA-N 348.403 0.884 0 50 ECAA CNC(=O)[C@H]1CC(=O)N(C2CN(C(=O)c3c(C)cc(F)cc3C)C2)C1 685941635 FIOGIDPBUCIUMV-LBPRGKRZSA-N 347.390 0.861 0 50 ECAA C[C@H](O)[C@H](NS(=O)(=O)c1cc(Cl)c2c(c1)C[C@@H](C)O2)C(=O)O 274959468 UVSJFIBCUDIKDF-BUYFANAVSA-N 349.792 0.776 0 50 ECAA CCNc1ncc(C(=O)NC[C@H]2CCn3ncc(C(N)=O)c3C2)s1 277588305 QSVGAFJTCHUAJW-VIFPVBQESA-N 348.432 0.863 0 50 ECAA Cc1cc(N2CC[C@H](n3cc([C@H]4CCCNC4)nn3)C2=O)n(C)n1 641099219 CSCKHTNAZFPWJM-JSGCOSHPSA-N 329.408 0.765 0 50 ECAA COc1ccc(C(=O)N2C[C@H](O)[C@@H](N3CCC(OC)CC3)C2)cc1 12314451 ULZLLGIMKQYZOR-IRXDYDNUSA-N 334.416 0.991 0 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CN(C)[C@@H]1CN(Cc2ccc3c(c2)NC(=O)CO3)C[C@@H]1n1ccnn1 862498113 WCZNURUABAEMDP-CABCVRRESA-N 342.403 0.596 0 50 ECAA Cn1cncc1[C@@H]1CN(C(=O)Cc2ccc3c(c2)OCO3)C[C@H]1N 864353157 DRFOHUYJODOLKB-CHWSQXEVSA-N 328.372 0.645 0 50 ECAA Cc1ccnc(N2C[C@H]3COCC[C@]3(C(=O)N3CCC(O)CC3)C2)n1 952849570 NAMJLBJHFFSDJJ-KSSFIOAISA-N 346.431 0.611 0 50 ECAA Nc1nnn(CC(=O)NCCNc2ncc(Cl)cc2Cl)n1 952850583 ZRKUDQZUGSHTKX-UHFFFAOYSA-N 331.167 0.185 0 50 ECAA Cn1ccc(C(=O)N[C@H]2CCCN(C(=O)Cc3csnn3)CC2)n1 1875362273 YPXKVAPYCFHPAJ-NSHDSACASA-N 348.432 0.625 0 50 ECAA CC1(C)NC(=O)N(CCn2c(Cc3ccc(F)cc3)noc2=O)C1=O 1875391613 JKXMUJHTUCWBHO-UHFFFAOYSA-N 348.334 0.897 0 50 ECAA CNC(=O)c1nc(C)c(C)c(N2CC[C@@H](N[C@@H]3CCCOC3)C2)n1 1875397836 PWAZOHQEOYQVEX-ZIAGYGMSSA-N 333.436 0.800 0 50 ECAA CO[C@@H]1CN(C(=O)c2cc(C(F)(F)F)n[nH]2)C[C@H]1c1cn(C)nn1 886084885 NLBJESCMACYBSP-OIBJUYFYSA-N 344.297 0.812 0 50 ECAA CSc1nn2c(=O)cc(CN3CC[C@](C)(O)[C@H](O)C3)nc2s1 1073315762 KVAAJTDDINMSQF-RNCFNFMXSA-N 342.446 0.191 0 50 ECAA CS(=O)(=O)c1cccc(C(=O)NC[C@@H](O)c2cccc(O)n2)c1 2356142268 LPCKTIJWMSQWPG-CYBMUJFWSA-N 336.369 0.654 0 50 ECAA CN1CCOC[C@H]1C(=O)N1CCc2nc(-c3cccnc3)nn2CC1 2356153245 YELLDBQONWMNAK-AWEZNQCLSA-N 342.403 0.055 0 50 ECAA CC(=O)N/C(=C\c1ccccc1)C(=O)N[C@H](CCC(=O)O)C(=O)O 4700903 FDVIYTSHQKTABY-FNWMBBJUSA-N 334.328 0.598 0 50 ECAA biogenic CCn1cnnc1CCNC(=O)CCNC(=O)c1ccccc1F 55385322 KVDJRZBZODMTOE-UHFFFAOYSA-N 333.367 0.916 0 50 ECAA Cn1ncnc1CCNC(=O)c1ccc(CSc2ncn[nH]2)o1 67473131 UIDOZFYHSFQXTH-UHFFFAOYSA-N 333.377 0.791 0 50 ECAA Nc1nnnn1CC(=O)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 67947602 RIRBRWYFOJMPON-UHFFFAOYSA-N 345.451 0.368 0 50 ECAA Cc1noc([C@@]2(O)CCN(S(=O)(=O)Cc3cccc(F)c3)C2)n1 328611295 LBVMMUZKZZIESZ-CQSZACIVSA-N 341.364 0.940 0 50 ECAA Cn1ccnc1[C@](O)(CCNC(=O)[C@H]1CCCNC1)C(F)(F)F 153175671 RBPGOEKCTHFDFI-GXFFZTMASA-N 334.342 0.676 0 50 ECAA CCOC(=O)CN1CCN(S(=O)(=O)NCc2ccccc2)CC1 71388595 TYSAKLFYZSBGBO-UHFFFAOYSA-N 341.433 0.202 0 50 ECAA CN1C(=O)C[C@H](C(=O)Nc2cccc(C(N)=O)c2)[C@@H]1c1ccnn1C 368341995 QEPHHXHWZKCBAS-SWLSCSKDSA-N 341.371 0.677 0 50 ECAA O=C1NC2(CCNCC2)C(=O)N1C[C@@H]1CC(=O)N(c2ccccc2)C1 77389131 FLRWGVNIPYRKDK-CYBMUJFWSA-N 342.399 0.714 0 50 ECAA Cc1cc(C)n(-c2ccc(C(=O)N3CCO[C@H](C(=O)O)C3)cn2)n1 262927966 WYGNAGPLHFHTHE-ZDUSSCGKSA-N 330.344 0.810 0 50 ECAA COc1cccc2c1OC[C@@H](C(=O)N1CCc3c(nc[nH]c3=O)C1)C2 72165968 YFAMKZUJXAQDSB-LBPRGKRZSA-N 341.367 0.915 0 50 ECAA Cn1nc(CO)c2c1CCN(C(=O)NCc1n[nH]c3c1CCC3)C2 426624686 AQURQCOMYKUPIF-UHFFFAOYSA-N 330.392 0.392 0 50 ECAA Cc1cccc(CCNC(=O)CCN(C)[C@H]2CCS(=O)(=O)C2)n1 221155103 MKMSRFVYXDBCBY-HNNXBMFYSA-N 339.461 0.558 0 50 ECAA O=C(c1ccccc1Cn1ccnn1)N1CCO[C@H]2CCOC[C@@H]21 615187884 RHDDEYOAYNXANY-HOTGVXAUSA-N 328.372 0.956 0 50 ECAA Cc1cc(N2CCCN(C(=O)NCCN3CCOCC3)CC2)ccn1 426490135 FMHGCLRAYIMSPJ-UHFFFAOYSA-N 347.463 0.944 0 50 ECAA CN(Cc1ccno1)C(=O)C[C@@H]1C(=O)NCCN1Cc1ccoc1 20454634 FGGPWSYANCDAQO-CQSZACIVSA-N 332.360 0.617 0 50 ECAA Cn1cc(Cl)c(C(=O)NN2C(=O)[C@@H]3[C@H](C2=O)[C@H]2C=C[C@H]3C23CC3)n1 239347344 MTEYVIDDWRHZKD-OYBPUVFXSA-N 346.774 0.916 0 50 ECAA O=C(c1ncccc1O)N1C[C@@H](CO)C[C@H](CN2CCOCC2)C1 92077852 LXDBHPZMSKJNKX-KGLIPLIRSA-N 335.404 0.190 0 50 ECAA CC(C)c1nnc2n1CCN(C(=O)C[C@@H]1C(=O)N(C)C(=O)N1C)CC2 91602579 FELXUBZHXBXYRY-LLVKDONJSA-N 348.407 0.069 0 50 ECAA C[C@@H](C(=O)N1CCCC1)N1CCC2(CCC(=O)N(CCO)C2)CC1 91650258 MTOGEUVTVNNWAS-HNNXBMFYSA-N 337.464 0.694 0 50 ECAA CN1C(=O)[C@H](CC(=O)NCCCN(C)c2ccccc2)N(C)C1=O 91381188 OUVLBGGVFIGFEM-AWEZNQCLSA-N 332.404 0.912 0 50 ECAA COCCNC(=O)N[C@H]1C[C@H](c2cc(N3CC[C@@H](O)C3)ncn2)C1 244900009 ZUIBNWGXQJQAGA-JHJVBQTASA-N 335.408 0.239 0 50 ECAA Cc1nc(CCNS(=O)(=O)c2cnc(C)n2C)sc1C(=O)O 629294525 YFFSTTUQEIREKI-UHFFFAOYSA-N 344.418 0.713 0 50 ECAA Cc1nc(CN2CC[C@@H](NC(=O)c3cccnc3O)[C@H](O)C2)cs1 299783860 VHJBSCAKIWYXGA-ZIAGYGMSSA-N 348.428 0.917 0 50 ECAA C[C@@H](C(=O)Nc1ccccc1NC(=O)CN(C)C)N1CCOCC1 823678700 UTUQFMWNZKPNGB-ZDUSSCGKSA-N 334.420 0.846 0 50 ECAA CN(C)C(=O)[C@@H]1CC(=O)N(C2CN(c3ccnc(C4CC4)n3)C2)C1 685940803 IUHWOXAHFCTZLH-GFCCVEGCSA-N 329.404 0.479 0 50 ECAA Cc1nn[nH]c1C(=O)N[C@H]1COCC[C@@H]1Oc1ccc(C(=O)O)cc1 1565508994 OPRBQQDEAKHABA-STQMWFEESA-N 346.343 0.778 0 50 ECAA O=C(c1ccc(Br)cn1)N1C[C@@H](O)[C@H](n2ccnn2)C1 630014506 PPMRUXSORCLTCY-GHMZBOCLSA-N 338.165 0.494 0 50 ECAA CN1CCC([C@H]2CCN(S(=O)(=O)N3CCN(C)CC3)C2)CC1 1475167294 OCIHXOFRLVHPBQ-HNNXBMFYSA-N 330.498 0.142 0 50 ECAA C[C@@H](C(=O)NCCc1ccc[nH]1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 271853642 WHYBCOBQOGLZDR-QIWZIZFYSA-N 331.372 0.224 0 50 ECAA CN1CC[C@H]2CCN(C(=O)NCc3cccc(OCC(N)=O)c3)[C@H]2C1 272564681 KBZDKCMJEBXDOH-HOCLYGCPSA-N 346.431 0.786 0 50 ECAA CCn1nc(C)c(S(=O)(=O)N2CCCN(C(N)=O)CC2)c1C 408233840 BPRTWUDOASMVFZ-UHFFFAOYSA-N 329.426 0.295 0 50 ECAA COC[C@@]1(C(N)=O)CCCN1S(=O)(=O)c1ccc2c(c1)CCO2 643701861 ISABWAQUJGYHEW-OAHLLOKOSA-N 340.401 0.277 0 50 ECAA NS(=O)(=O)c1ccccc1CNC(=O)[C@]1(C(=O)O)CC=CCC1 653289641 ZQINCLKUFNGABY-HNNXBMFYSA-N 338.385 0.761 0 50 ECAA Cc1cc(C(=O)N2C[C@H](CS(=O)(=O)N(C)C)[C@@H](O)C2)c(C)o1 1616126485 MUEUPHOPLLAZAR-YPMHNXCESA-N 330.406 0.221 0 50 ECAA CCSCCOC(=O)C1=C(C)N[C@]2(O)c3ccccc3C(=O)[C@]12O 5100359 BIOLAXMCACYQND-SJORKVTESA-N 349.408 0.933 0 50 ECAA CC(=O)NCCNC(=O)[C@H]1CNC[C@@H](COc2cccc(F)c2)C1 14531678 VKPGBGWUTWXLIP-UONOGXRCSA-N 337.395 0.683 0 50 ECAA Cc1nc(O)c2c(n1)[C@]1(CCCN(CC(=O)N3CCOCC3)C1)CC2 1857692142 QJLPTGBUCPPBKC-GOSISDBHSA-N 346.431 0.629 0 50 ECAA O=C(COCCc1ccccc1)N1CC[C@](O)(Cn2ccnn2)C1 671499106 AZGVWKZSWDAVNG-QGZVFWFLSA-N 330.388 0.501 0 50 ECAA COc1cncc(N2CCN(CC(=O)N3C[C@H](C)O[C@H](C)C3)CC2)c1 931208458 HWAUTFOBFVXKHB-GASCZTMLSA-N 348.447 0.848 0 50 ECAA Cc1cc(C(=O)N2C[C@@H](C(=O)O)C[C@H](c3cnn(C)c3)C2)n(C)n1 868451768 IBJQRQMRRACOEW-RYUDHWBXSA-N 331.376 0.793 0 50 ECAA CCC(=O)Nc1nc(C)c(S(=O)(=O)N2CN(C)C(=O)[C@H]2C)s1 1875290526 NTVXKJUQIODXKK-MRVPVSSYSA-N 346.434 0.609 0 50 ECAA CCn1nncc1CNC(=O)c1coc(CN2CC[C@@H](OC)C2)n1 888095595 TVQPASVHJVGUPW-GFCCVEGCSA-N 334.380 0.437 0 50 ECAA CCS(=O)(=O)NCCn1nnnc1N1CCCCCCCC1 1771991704 LBHCKMACBKPPNC-UHFFFAOYSA-N 330.458 0.773 0 50 ECAA CN1C[C@@H]2CN(C(=O)c3ccc4c(c3)CCNC4=O)CCN2C1=O 2325773506 KHFRFGUVBIDYHF-CYBMUJFWSA-N 328.372 0.164 0 50 ECAA Cc1nc(C)c(CC(=O)N2CCC[C@@]23CCCN(C)C3=O)c(O)n1 2356144134 KNEZVPRSMQGDJM-QGZVFWFLSA-N 332.404 0.955 0 50 ECAA CC(C)(C)OC(=O)N1CCNC(=O)[C@@H]1CC(=O)OC[C@@H]1CCCO1 4943964 IVPRTKUAVCJCST-RYUDHWBXSA-N 342.392 0.834 0 50 ECAA Cc1cc(C)n(CCC(=O)N2CCN(C[C@H]3CCCO3)CC2)c(=O)n1 55037192 JLQCYJRRSBVYTE-MRXNPFEDSA-N 348.447 0.573 0 50 ECAA O=C1CC2(CCN(C(=O)C(=O)N3CCc4ccccc4C3)CC2)CN1 67674282 IQZVWRWRTQXEIC-UHFFFAOYSA-N 341.411 0.700 0 50 ECAA O=C(c1ccccc1-n1cncn1)N1C[C@@H]2CNC[C@]2(C(=O)O)C1 65375552 IIEXKVNAEOLZTB-ZBEGNZNMSA-N 327.344 0.014 0 50 ECAA Cc1c(C(=O)N(C)CC(=O)c2ccc(O)cc2)cnc2cc(=O)[nH]n12 67934258 OGRXZUUBTPQFTF-UHFFFAOYSA-N 340.339 0.992 0 50 ECAA COC(=O)Cn1cnc(NS(=O)(=O)CCc2ccc(C)cc2)n1 252498282 QXJRQRSTGZYCTF-UHFFFAOYSA-N 338.389 0.744 0 50 ECAA C[C@H]1CN(Cc2cccc(CNC(=O)[C@H]3CNC(=O)N3)c2)CCO1 252511532 HTBULHSEEFPZDG-SWLSCSKDSA-N 332.404 0.205 0 50 ECAA C[C@H](NCC(=O)N(C)[C@H]1CCS(=O)(=O)C1)[C@@H](C)n1cccn1 229567452 AKOGZWGPZJVJDC-XQQFMLRXSA-N 328.438 0.068 0 50 ECAA COc1ccc(CNC(=O)[C@@H](C)N2CC[C@@H](C(N)=O)C2)cc1OC 229749424 XDLNVOWWPGJHNS-DGCLKSJQSA-N 335.404 0.516 0 50 ECAA CC(=O)N1CCCN([C@@H]2CN(CCCS(C)(=O)=O)C[C@@H]2C)CC1 229918442 SFEPEFBKGCLGLF-GOEBONIOSA-N 345.509 0.296 0 50 ECAA Cc1nc(N)n(N)c(=O)c1CCCN1C(=O)c2ccccc2C1=O 6920695 SCRPVZUQVXXIHQ-UHFFFAOYSA-N 327.344 0.077 0 50 ECAA Cc1nc(CCNC(=O)c2cn(C)c(=O)[nH]c2=O)nc2c1CCCC2 216159910 JNWXEZXDRHPXCB-UHFFFAOYSA-N 343.387 0.023 0 50 ECAA COCCN(Cc1cnn(C)c1)C(=O)[C@@H]1CC2(CCNCC2)CN1 72127123 AMERCTCEOHKBQR-HNNXBMFYSA-N 335.452 0.127 0 50 ECAA O=S1(=O)CC[C@H](N(CCO)Cc2nccn2Cc2ccccc2)C1 77175016 AEBHJHUILJYZNW-INIZCTEOSA-N 349.456 0.913 0 50 ECAA CNC(=O)c1ccc(NC[C@@H]2C[C@H](F)CN2Cc2cncnc2)nn1 367814371 MSGFYMTXZPWFOP-STQMWFEESA-N 345.382 0.651 0 50 ECAA C[C@@H](O)C(=O)N1CCN(S(=O)(=O)c2cccc3ncccc23)CC1 332188858 BXPFQJMWHZZFMC-GFCCVEGCSA-N 349.412 0.449 0 50 ECAA C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](N)C2)C[C@H](c2ccsc2)O1 332369900 CUGVWFGGSOKDRF-MRVWCRGKSA-N 337.445 0.986 0 50 ECAA Cn1ccnc1CN(C(=O)[C@@H]1CCCNC1)[C@H]1CC12CCNCC2 262001120 PUVHHFPXUAQGAY-CABCVRRESA-N 331.464 0.890 0 50 ECAA CNC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1cc(C(N)=O)cn1C 371902568 WOJQFAQIOTVCOT-CQSZACIVSA-N 340.383 0.437 0 50 ECAA O=S1(=O)CCN(C2CCN(S(=O)(=O)c3ccoc3)CC2)CC1 332411737 IFZSCKHDRAVUNY-UHFFFAOYSA-N 348.446 0.163 0 50 ECAA Nc1n[nH]c(C(=O)N2CCCO[C@H](CN3CCCC3)C2)c1Cl 214980666 RPERNYHFFHPDHA-SNVBAGLBSA-N 327.816 0.972 0 50 ECAA CC[C@H]1CN(C(=O)Cn2ncnn2)CCC(=O)N1Cc1ccccc1 71764488 VGNFLEIUPLRCFR-HNNXBMFYSA-N 342.403 0.713 0 50 ECAA Cc1cc(NC(=O)[C@H](C)N[C@@H]2CCN(S(C)(=O)=O)C[C@H]2C)no1 241231047 KRMPIFUFTUJYHO-ADEWGFFLSA-N 344.437 0.570 0 50 ECAA O=C1CNC[C@H](C(=O)N2CCc3c(cccc3C(F)(F)F)C2)N1 71776456 MIDYMZDYSQMECO-GFCCVEGCSA-N 327.306 0.678 0 50 ECAA 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0 50 ECAA CS(=O)(=O)N[C@@H]1CCC[C@@H]1CNC(=O)c1cnn2cccnc12 268425911 XJBOVIZMCPIPJR-ZYHUDNBSSA-N 337.405 0.177 0 50 ECAA Cc1nonc1N1CCN(C(=O)C[C@H]2NC(=O)c3ccccc32)CC1 299761069 UHBINWXROQYQRS-CQSZACIVSA-N 341.371 0.901 0 50 ECAA Cc1cc(C)n(CC(=O)NCc2ccc3nc(O)[nH]c3c2)c(=O)n1 584896032 SKVXKYMFDMQGFN-UHFFFAOYSA-N 327.344 0.758 0 50 ECAA CCn1ncc(CN2CC(N3CCO[C@H](c4nc(C)no4)C3)C2)n1 685941162 UBXLSMHPQKCAGA-AWEZNQCLSA-N 333.396 0.247 0 50 ECAA Cc1noc([C@@H]2CC(=O)N(C3CN(C(=O)C4(O)CCCCC4)C3)C2)n1 864680268 KJXMSJAWAOHQQV-GFCCVEGCSA-N 348.403 0.600 0 50 ECAA C[C@@H]1Oc2ccc(NC(=O)N(C)CCN(C)CCO)cc2NC1=O 952877043 LCKQZGICCBSOJT-NSHDSACASA-N 336.392 0.794 0 50 ECAA C[C@@]1(c2ccc(C(=O)N3CC[C@@](C)(C(=O)O)C3)cc2)NC(=O)NC1=O 269052017 VTDCMXKPAVHGQH-SJORKVTESA-N 345.355 0.678 0 50 ECAA CNC(=O)C[C@@H]1CN(CCn2cc(-c3ccccc3)cn2)C[C@H]1O 1875399303 VLWFENACEOWBEH-NVXWUHKLSA-N 328.416 0.979 0 50 ECAA Cc1nn2c(c1C(=O)N1CC([C@H]3NC(=O)NC3=O)C1)CCC[C@@H]2C 1875317810 JLJZEBIOARTQDV-ISVAXAHUSA-N 331.376 0.369 0 50 ECAA Cc1nnc(N2CC[C@@]3(CO[C@H](CNC(=O)Cc4cc[nH]n4)C3)C2)o1 1875405519 IGDHTFJIJBFFNZ-BBRMVZONSA-N 346.391 0.445 0 50 ECAA NC(=O)CN1CCC[C@H](C(=O)NCCCn2ncc3ccccc32)C1 952987996 PQPIFXAGWPFODP-HNNXBMFYSA-N 343.431 0.740 0 50 ECAA CO[C@@H]1CCCCN(CC(=O)N2CCN(c3cccnn3)CC2)C1=O 886074625 IABGGCLHSHRMNG-CQSZACIVSA-N 347.419 0.153 0 50 ECAA CC1(C)OCC[C@H]1CNC(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C)C1 1775997873 OJBIUXNOGMXCAY-ZOWXZIJZSA-N 330.450 0.878 0 50 ECAA CN(C1CCCCC1)S(=O)(=O)N1CCO[C@H](c2nc[nH]n2)C1 1775993659 UMTLCLIZDLYAOW-LBPRGKRZSA-N 329.426 0.687 0 50 ECAA Cn1c(=O)c2cc(C(=O)NCC[Si](C)(C)C)cnc2n(C)c1=O 170601743 FBAUNGQAJPTGMV-UHFFFAOYSA-N 334.452 0.700 0 50 ECAA Cc1nnc2n1C[C@@H](C(=O)NCc1ccc3cncn3c1)N(C)C2 644488228 LSYNMQJYZOGAPV-AWEZNQCLSA-N 325.376 0.365 0 50 ECAA O=S(=O)(CCN1CCCC1)N1CCC[C@H](CN2CCOCC2)C1 192638228 GZGKQVINTWZDMX-MRXNPFEDSA-N 345.509 0.456 0 50 ECAA Cn1c(=O)c2cc(S(=O)(=O)N3C[C@@H]4C[C@]4(C)C3)ccc2n(C)c1=O 1772809416 WHVXVJMZHDFYGC-MGPLVRAMSA-N 349.412 0.268 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818346599 FPPSZHUHDNZDRO-OAHLLOKOSA-N 339.399 0.894 0 50 ECAA C[C@@H]1OCC[C@@]1(O)CNC(=O)Cn1cc(Br)ccc1=O 228710324 LXOVGNASTUTAHX-TVQRCGJNSA-N 345.193 0.267 0 50 ECAA Cn1c(C(=O)N[C@@H]2C[C@@H](Cn3cccn3)C[C@H]2O)cc2c1CCOC2 2325811688 UBAXRGCVWMIYOL-SUYBPPKGSA-N 344.415 0.864 0 50 ECAA CCN(C(=O)CC1(COC)CC1)[C@H](C)CNC(=O)[C@H]1CCC(=O)N1 1428648012 VOSYAUZONYRVQB-CHWSQXEVSA-N 339.436 0.435 0 50 ECAA CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(OC)cc1 1427002 IJMFTDFVYAAVNL-LLVKDONJSA-N 333.431 0.893 0 50 ECAA CN(C)c1ccccc1N(CC(=O)N1CCOCC1)S(C)(=O)=O 2356166992 FXKXJNFRURIXCX-UHFFFAOYSA-N 341.433 0.377 0 50 ECAA CCc1nc(CCNC(=O)CN(C)[C@H]2CCS(=O)(=O)C2)cs1 102483034 WZOANYJJKZGZCU-LBPRGKRZSA-N 345.490 0.483 0 50 ECAA Cc1cccc(CN2CCN(C(=O)C3(C(N)=O)CC3)[C@H](C)C2=O)c1 55253750 OMABXKVCDXFBOW-CYBMUJFWSA-N 329.400 0.820 0 50 ECAA C[C@@H]1CCN2C(=O)N(CCCN3CCC[C@@H](C(N)=O)C3)C(=O)[C@H]2C1 349353698 YBRLDMHRWOFIEX-MGPQQGTHSA-N 336.436 0.637 0 50 ECAA c1ccn(CCN2CCN(c3ncnc4c3CCNCC4)CC2)c1 72475500 HXPHYZJASYUOMM-UHFFFAOYSA-N 326.448 0.789 0 50 ECAA O=C(O)[C@@H]1c2ccsc2CCN1C(=O)N1CCS(=O)(=O)CC1 315134982 KVQGDUMLDDQOKW-NSHDSACASA-N 344.414 0.582 0 50 ECAA COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1NC(C)=O 36174790 OFAVOOFEOMILSY-UHFFFAOYSA-N 327.406 0.590 0 50 ECAA Cc1nn(C)c(C)c1[C@H]1[C@H](N[C@H](C)CCn2cncn2)CC(=O)N1C 328635466 UUFIGDZZVBXQQP-JDSLSITLSA-N 345.451 0.969 0 50 ECAA Cc1nc2cncc(N3CCN(C(=O)[C@@H]4CCCOC4)CC3)n2n1 328629690 INCUJDUJHCYPEP-CYBMUJFWSA-N 330.392 0.508 0 50 ECAA CN(C[C@H](O)Cn1cccn1)C1CCN(CC(=O)N2CCCC2)CC1 369064081 LUYJPPPZYPFEOW-KRWDZBQOSA-N 349.479 0.263 0 50 ECAA Cn1nc(C(=O)N2CCC[C@@H](C(=O)NC3CC3)C2)c2c1CCNC2 34928763 UXCWPKRLCGSOGT-LLVKDONJSA-N 331.420 0.197 0 50 ECAA CNCC1CCN(C(=O)c2ccc(S(N)(=O)=O)c(F)c2)CC1 237352035 XCLCYHVWINAIRU-UHFFFAOYSA-N 329.397 0.545 0 50 ECAA O=C(c1ccc2[nH]nnc2c1)N1CCOC[C@](O)(CN2CCCC2)C1 77287180 GGDZLJCLRKSRBU-KRWDZBQOSA-N 345.403 0.257 0 50 ECAA O=C([C@@H](Cc1c[nH]cn1)n1cccc1)N1CCC(O)(C(=O)O)CC1 71748963 JKNGLBYTRGFERD-CYBMUJFWSA-N 332.360 0.433 0 50 ECAA CCCc1cnc(C)nc1N[C@@H]1CCN(CC(=O)N(C)C)C[C@H]1O 426444587 MEFCNXWWHPRNAU-HUUCEWRRSA-N 335.452 0.673 0 50 ECAA CCc1ocnc1C(=O)NC1CCN(c2cc(O)nc(N)n2)CC1 426582838 OWKICEMSAKQGOV-UHFFFAOYSA-N 332.364 0.714 0 50 ECAA OC[C@H]1CN(c2nnnn2-c2ccccc2)C[C@H]1CN1CCOCC1 91650672 DAIZGLFWOWHPGJ-HUUCEWRRSA-N 344.419 0.039 0 50 ECAA CN(C)C1(CNS(=O)(=O)N2CCC[C@H](C(=O)O)C2)CCCCC1 828475326 VJLMONOULUFGCH-ZDUSSCGKSA-N 347.481 0.882 0 50 ECAA CN1CCOC[C@H](CNC(=O)N2CCN(c3ccncc3)CC2)C1 584896495 BDPKNGRCZBQQGX-OAHLLOKOSA-N 333.436 0.491 0 50 ECAA NS(=O)(=O)CCCC(=O)N[C@@H]1CCCN(Cc2cccs2)C1 670458871 KNADXQYAUVTVFV-GFCCVEGCSA-N 345.490 0.897 0 50 ECAA Cc1ccnc2nc(C(=O)N3C[C@H](N)CC[C@@H]3C(F)(F)F)nn12 952853127 PLXPOFVAJYXZDT-RKDXNWHRSA-N 328.298 0.927 0 50 ECAA CO[C@@H]1C[C@H](CNC(=O)c2[nH]c(C)nc2C)N(c2ccncn2)C1 952887974 XDJNMRVJXJIMEM-CHWSQXEVSA-N 330.392 0.840 0 50 ECAA O=C([C@@H]1CCNc2ccccc2C1)N1CCO[C@H](c2nn[nH]n2)C1 1875322617 YSPGJEJSPGSEMV-OCCSQVGLSA-N 328.376 0.774 0 50 ECAA CN(Cc1nc(O)c2cnn(C)c2n1)C(=O)[C@@]12C[C@@H]1COC2(C)C 1875370423 OESLWRJXIAAUQJ-JDNHERCYSA-N 331.376 0.842 0 50 ECAA C[C@@H]1C[C@@H](CNc2cc(O)nc(O)n2)CN1C(=O)CCc1cnn[nH]1 1875356891 XVUHWVBVCXSYGC-ZJUUUORDSA-N 347.379 0.288 0 50 ECAA Cc1nn(CCNC(=O)[C@@H]2CCCN(CC(N)=O)C2)c(C)c1Cl 952975779 TYPHRZVGYIMKHO-GFCCVEGCSA-N 341.843 0.467 0 50 ECAA Cc1cnn(C)c1S(=O)(=O)N1CCc2sc(CN)nc2C1 883481168 ZSEHVYZZAALGME-UHFFFAOYSA-N 327.435 0.391 0 50 ECAA Cc1nonc1CN1C[C@H](c2cnn(C)c2)[C@@H](C(=O)N2CCCC2)C1 888103651 RFULZGLDCSNXMR-CABCVRRESA-N 344.419 0.950 0 50 ECAA CN1C[C@@H](Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1=O 892624830 WWYGKUPDYNCZIZ-ZDUSSCGKSA-N 339.417 0.350 0 50 ECAA Cc1csc(N2CCN(C(=O)C3(S(N)(=O)=O)CCC3)CC2)n1 1775993185 COSHUISVDCXLCZ-UHFFFAOYSA-N 344.462 0.311 0 50 ECAA CN(C)C[C@@H]1C[C@H](CO)CN(C(=O)CCc2nc(Cl)n[nH]2)C1 1565512311 MXQIRJBLVGRTRV-QWRGUYRKSA-N 329.832 0.409 0 50 ECAA CO[C@@H](C(=O)N1CC2(CN(C(=O)Cc3ccoc3)CCO2)C1)C1CC1 965362317 YKJFKXFQBONZPY-MRXNPFEDSA-N 348.399 0.687 0 50 ECAA C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)Cn1cnnc1[S@](C)=O 171631808 ZVKWCGQYDLTMFW-BNMUBRSASA-N 327.410 0.420 0 50 ECAA COC[C@@]1(C(=O)O)CCCN1S(=O)(=O)c1ccc(N(C)C)nc1 643971438 QTVUZEZZTZORTB-CQSZACIVSA-N 343.405 0.402 0 50 ECAA CC(C)N1CCCN(S(=O)(=O)N2CCC(C(=O)O)CC2)CC1 1506400996 YIAONOVSDRSKHE-UHFFFAOYSA-N 333.454 0.444 0 50 ECAA O=C(CNC(=O)N1CCc2c([nH]c3ccccc23)C1)NCCCO 12296784 FDBHUPCZDZMIGT-UHFFFAOYSA-N 330.388 0.734 0 50 ECAA biogenic Cc1ncnc(N2CCN(C(=O)[C@H]3CCc4ncnn4C3)CC2)c1C 1857730501 UXJFDBPVGMQNEO-AWEZNQCLSA-N 341.419 0.596 0 50 ECAA O=C(N[C@@H]1C[C@H]2CO[C@@H](CCO)CN2C1)c1ccc2c(c1)OCCO2 1857739221 NGJIPNUPRWZJOY-ILXRZTDVSA-N 348.399 0.412 0 50 ECAA C[C@]1(O)CCN(C(=O)CN2CC(=O)NC2=O)C[C@H]1Cc1ccccc1 216839985 SGXYUAJIQNSLMV-KDOFPFPSSA-N 345.399 0.380 0 50 ECAA Cc1cc[nH]c1C(=O)N[C@H]1CCCN(CCN2CCOCC2)C1=O 370467509 HEAYVYRERWKZQR-AWEZNQCLSA-N 334.420 0.376 0 50 ECAA CC[C@H](Nc1nnnn1-c1ccccc1)C(=O)N1CCC[C@H](N)C1 157867553 MPOTUWSHPKLBBP-JSGCOSHPSA-N 329.408 0.803 0 50 ECAA CNC(=O)[C@@]1(COC)CCCN1C(=O)c1nnc2ccccc2n1 818518365 BKNUQVLCPMZUQS-INIZCTEOSA-N 329.360 0.392 0 50 ECAA CC1=CCN(CCNC(=O)c2coc(CN3CC[C@H](O)C3)n2)CC1 907385078 DHTAGIDUAOXTJY-AWEZNQCLSA-N 334.420 0.623 0 50 ECAA C[C@@H](c1ncccn1)N1CCN(S(=O)(=O)Cc2ccon2)CC1 929724952 ACCMOVWNDRLTRH-LBPRGKRZSA-N 337.405 0.673 0 50 ECAA CN(C)CCn1ccc(C(=O)NC[C@H]2CCC3(CCOCC3)O2)n1 832413604 AAOKSSGRLHMOLS-CQSZACIVSA-N 336.436 0.903 0 50 ECAA Cc1nc(N2CCN([C@@H]3CCCN(c4ccn(C)n4)C3=O)CC2)n[nH]1 931626515 SQWBQSBITARSAX-CYBMUJFWSA-N 344.423 0.164 0 50 ECAA O=C(CN[C@@H]1C(=O)NCC12CCOCC2)NCc1ccccc1F 933040366 RFTIYKOAKCJYTF-OAHLLOKOSA-N 335.379 0.327 0 50 ECAA CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)Nc1ccc(F)cc1 2100534489 KQILKLOVRYGGKA-GWCFXTLKSA-N 345.396 0.854 0 50 ECAA O[C@H]1[C@@H]2C[C@H](Cn3cnc4c(N5CC[C@@H](F)C5)ncnc43)[C@@H](C2)[C@H]1O 2325815455 FTJVFROGFLIUQA-RJHCMKNPSA-N 347.394 0.752 0 50 ECAA Cc1nn2c(SCc3nnn(C)c3C(F)F)n[nH]c2nc1=O 2325826139 QFQKMYUPWGVGRZ-UHFFFAOYSA-N 328.308 0.479 0 50 ECAA Cc1nc(C)n(C[C@@H]2CCCN2CC(=O)N2CCCC[C@H]2C(N)=O)n1 248040030 SHQUBOBKFHFIHJ-GJZGRUSLSA-N 348.451 0.226 0 50 ECAA CCn1ccnc1[C@@H]1OCC[C@H]1NC(=O)N1CC(=O)N(C2CC2)C1 346649430 HSGIANBAWLKVHL-TZMCWYRMSA-N 333.392 0.707 0 50 ECAA Cc1cc(Cl)ccc1NC(=O)N[C@@H]1C[C@H]2C(=O)NCC(=O)N2C1 65466957 BJNMYRQJMVGXKQ-PWSUYJOCSA-N 336.779 0.869 0 50 ECAA COc1ccc(CC(=O)O)cc1S(=O)(=O)N[C@@H]1C[C@H]2OCC[C@@H]12 1074602442 LVWHDZJIZWSBFW-DMDPSCGWSA-N 341.385 0.778 0 50 ECAA C[C@@H]1CN(C[C@@H](O)Cn2cccn2)CCN1C[C@@H](O)c1ccccc1 229527803 ADZJEZOVBSLDJU-BHIYHBOVSA-N 344.459 0.984 0 50 ECAA CCc1nc(CN(C(C)=O)[C@@H]2CCN([C@@H]3C[C@@H](C)OC3=O)C2)no1 229825583 KULAJBPHMGVLSO-RAIGVLPGSA-N 336.392 0.759 0 50 ECAA Cc1ccc(C2(O)CCN(C(=O)CC[C@@H]3NC(=O)NC3=O)CC2)nc1 67881820 UPDBEXAUQASVBY-LBPRGKRZSA-N 346.387 0.188 0 50 ECAA CN1C(=O)C[C@@H](CN=c2ncnc3[nH][nH]cc2-3)[C@@H]1c1cnn(C)c1 328608722 BCCKAMGWVKSLEB-TVQRCGJNSA-N 326.364 0.091 0 50 ECAA Cn1cc([C@@H](NC(=O)c2cnc3cccnn23)[C@H]2C[C@H](O)C2)cn1 219290793 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340.449 0.260 0 50 ECAA CCc1nnsc1C(=O)N1C[C@@H](NS(C)(=O)=O)[C@H](C(C)C)C1 82107901 NVUDEKLMTBWMAA-GXSJLCMTSA-N 346.478 0.746 0 50 ECAA COc1ccc(C(=O)N[C@H]2CN(S(C)(=O)=O)C[C@@H]2C2CC2)o1 92107559 XMWPNAZGVUCSKI-MNOVXSKESA-N 328.390 0.688 0 50 ECAA Cc1nc([C@H]2CCOC2)cc(N2CCN(S(C)(=O)=O)CC2)n1 426667176 YHUACIWMWXMBOU-LBPRGKRZSA-N 326.422 0.371 0 50 ECAA Cc1nc([C@@H](C)N(C)C(=O)c2cc(=O)n(C)c(=O)n2C)c(C)s1 95501296 XESMYZJRPIKWJA-MRVPVSSYSA-N 336.417 0.991 0 50 ECAA O=C1CNC(=O)N1Cc1nc([C@@H]2CCOC2)nn1-c1ccccc1 97797775 KMJZRJUPEKFTNW-LLVKDONJSA-N 327.344 0.823 0 50 ECAA COCCN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)c1cn3cccnc3n1)C2 91746166 IZUHYBAGVRMENQ-QWHCGFSZSA-N 343.387 0.439 0 50 ECAA O=S(=O)(N[C@@H]1CCCn2ncnc21)c1cccc2c1OCCO2 267623675 LVNWUEYWMMSAPR-SNVBAGLBSA-N 336.373 0.863 0 50 ECAA O=C1NCCN(Cc2cc(=O)c3cccc(Cl)c3[nH]2)[C@H]1CCO 92003409 QGNAZAQKKKTLGU-ZDUSSCGKSA-N 335.791 0.864 0 50 ECAA CC[C@H](C)[C@H](CO)NC(=O)C[C@@H]1N=C(O)N(Cc2ccco2)C1=O 252539178 NVQYZSWUOLIUIR-DRZSPHRISA-N 337.376 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CNC(=O)[C@@H]1C[C@@H](N)CN1C(=O)c1cnc2ccc(F)cc2c1N 67641179 OUWOWLWSVQGWDR-RNCFNFMXSA-N 331.351 0.244 0 50 ECAA CNC(=O)c1ccc(C(=O)N2CCC(Cn3cncn3)CC2)cn1 330315765 PRSCWKHBUAVRDG-UHFFFAOYSA-N 328.376 0.585 0 50 ECAA CCCN1CCN(C(=O)c2cc(CN3CCN(CC)CC3)on2)CC1 67433414 RWUMYAMNZXIUHV-UHFFFAOYSA-N 349.479 0.980 0 50 ECAA O=C(O)c1cccc(CS(=O)(=O)N[C@@H]2CCCS(=O)(=O)C2)c1 315761861 YUBDFWZGGRFKBD-GFCCVEGCSA-N 347.414 0.381 0 50 ECAA Cn1c(=O)oc2cc(S(=O)(=O)N3CCN4CCC[C@H]4C3)ccc21 252442235 RQCDNPJPVMSLIF-NSHDSACASA-N 337.401 0.600 0 50 ECAA CC(=O)NC[C@@H]1CN(C(=O)COc2ccc3c(c2)CCC3)CCO1 172142055 SPBNXCMKZIVXJW-QGZVFWFLSA-N 332.400 0.918 0 50 ECAA Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N1CCN(c2ccccc2F)CC1 36708425 OARIIWVDUGZLQU-UHFFFAOYSA-N 346.362 0.402 0 50 ECAA O=C1C[C@@H](NCc2cnn3ccccc23)CN1CCN1CCOCC1 172697076 QFVLTIQSPHTFHX-MRXNPFEDSA-N 343.431 0.357 0 50 ECAA CN(C[C@@H]1C[C@H](F)CN1Cc1ncccn1)C(=O)CCn1cncn1 358480467 PZYMNXBZCGUNKU-KBPBESRZSA-N 347.398 0.529 0 50 ECAA 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N[C@H]1[C@H]2CCO[C@H]2[C@@H]1NS(=O)(=O)CCOc1ccccc1F 222226286 ZFZPZBJGPQUBKW-GJQVQUKXSA-N 330.381 0.239 0 50 ECAA CCN1C[C@@]2(CCCN(C(=O)c3nc4ncccn4n3)C2)CCC1=O 91935053 YIIFIKSJRCQCKI-QGZVFWFLSA-N 342.403 0.989 0 50 ECAA Cc1cc(C(=O)N2C[C@@H](NS(=O)(=O)N(C)C)[C@H](C(C)C)C2)[nH]n1 95353299 RLKWDPVUKIBLDS-WCQYABFASA-N 343.453 0.211 0 50 ECAA CN(CCc1cn[nH]c1)C(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1 95352123 JYGFBTCHRYHCMQ-AWEZNQCLSA-N 327.388 0.854 0 50 ECAA CS(=O)(=O)N1CCN(C(=O)[C@H]2CCOc3ccccc3C2)CC1 95525680 QCNUCOMXFINZKK-AWEZNQCLSA-N 338.429 0.732 0 50 ECAA O=C1NCCN1CCNc1nc2c(c(=O)[nH]1)Cc1ccccc1OC2 95530311 FPBUPBZOSDYGQG-UHFFFAOYSA-N 341.371 0.690 0 50 ECAA CC1CCN([C@@H](CNC(=O)c2cnc(O)n(C)c2=O)C(C)C)CC1 267618582 UAFFEYLPJQQVLU-AWEZNQCLSA-N 336.436 0.972 0 50 ECAA CNc1cc(C)nc(N[C@@H]2CCN(C(=O)c3ccccn3)C[C@H]2O)n1 244787911 QFYXBHCCKVXWKO-TZMCWYRMSA-N 342.403 0.909 0 50 ECAA COC(=O)C[C@@H](c1cnn(C)c1)c1c(O)ncc(C(=O)OC)c1O 253623635 CKOTVHNOZPWVMC-VIFPVBQESA-N 335.316 0.708 0 50 ECAA biogenic 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C[C@H](C(=O)N(C)[C@H]1CCCC[C@@H]1S(C)(=O)=O)S(C)(=O)=O 408227626 YCMZWEPTJFQEPE-VWYCJHECSA-N 325.452 0.234 0 50 ECAA CC(C)n1ccc(NC(=O)N2CCO[C@H](CN(C)CC(N)=O)C2)n1 280676082 FLMLSPYVFFQOFD-GFCCVEGCSA-N 338.412 0.114 0 50 ECAA Cc1ccc(OC[C@@H](O)CN2C[C@@H](O)[C@H](n3ccnn3)C2)c(C)c1 639740354 DAGRFZBLBUAUJV-ARFHVFGLSA-N 332.404 0.552 0 50 ECAA Cc1cnc(CN2C[C@H]3CN(c4ncccn4)C[C@@]3(C(=O)O)C2)[nH]1 1073273806 BCZCPCAADABEPK-LRDDRELGSA-N 328.376 0.531 0 50 ECAA O=C(Cn1cncn1)N1CC[C@H](c2ccc3c(c2)OCO3)[C@@H](O)C1 212236700 OORMXWOTZYTXQF-OLZOCXBDSA-N 330.344 0.384 0 50 ECAA O=C(CN1CC[C@@H](O)[C@@H](C(=O)O)C1)NCCc1cccc(Cl)c1 1704299468 SCWWJFHRMYJPDF-UONOGXRCSA-N 340.807 0.766 0 50 ECAA Cc1nc(C)c(CC(=O)N2C[C@@H](O)[C@H](Cc3ccccn3)C2)c(O)n1 1704304411 NIIFDKVIEJMFDT-CZUORRHYSA-N 342.399 0.799 0 50 ECAA Cc1cccnc1C[C@H](C)NC(=O)Cn1nnnc1CN1CCCC1 12447918 UNPBMBLCDPCUJQ-AWEZNQCLSA-N 343.435 0.720 0 50 ECAA CCc1nc(-c2ncccn2)sc1C(=O)N1C[C@@H]2C[C@H]1C(=O)N2 1857666365 VEWDMCLPJZTDGB-WPRPVWTQSA-N 329.385 0.875 0 50 ECAA Cc1cc(C(=O)N[C@@H]2C[C@H]3CO[C@@H](CCO)CN3C2)nn1C(C)C 1857713558 PKRQDFHIITZRSZ-ILXRZTDVSA-N 336.436 0.726 0 50 ECAA CCCc1nnc(N2C[C@@H](C(=O)NCCn3cncn3)CC2=O)s1 1857722194 QRYNCGSZEDETQI-JTQLQIEISA-N 349.420 0.251 0 50 ECAA CS(=O)(=O)NCC1CCN(C(=O)c2cnn3c2CCCC3)CC1 331929955 IFJYJALXPHDLOV-UHFFFAOYSA-N 340.449 0.621 0 50 ECAA O=C1CN(C(=O)C[C@]2(O)CCCN(Cc3ccccc3)C2)CCN1 644265285 SEKJEKKOSBEOAH-GOSISDBHSA-N 331.416 0.362 0 50 ECAA C[C@H](NS(=O)(=O)c1ccc(C(=O)N2CCCC2)c(F)c1)C(=O)O 262487141 WULOJIFNZPPOJB-VIFPVBQESA-N 344.364 0.813 0 50 ECAA NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c1cc(=O)c2cc(Cl)ccc2o1 2325758597 ZNURCZULNNFNDP-SCZZXKLOSA-N 336.731 0.507 0 50 ECAA CN(C(=O)[C@H](O)C1CC1)[C@@H]1CCN(C(=O)c2cnn3ccn(C)c23)C1 2325828044 XHGXSIYZPYWRGU-TZMCWYRMSA-N 345.403 0.117 0 50 ECAA CS(=O)(=O)N(CCc1ccccc1)CC(=O)NC[C@@H]1CCCO1 574485 AGBXBEYKOGBTHK-HNNXBMFYSA-N 340.445 0.786 0 50 ECAA Nc1nnc(SCC(=O)N2CCN(C[C@H]3CCCO3)CC2)s1 55060483 GKVGYQFGHPBUJQ-SNVBAGLBSA-N 343.478 0.536 0 50 ECAA COC(=O)[C@]1(C)CCCN(C(=O)C(=O)N[C@@H](C)Cc2ccncc2)C1 422349617 HWYPBSYJHZORDH-SCLBCKFNSA-N 347.415 0.931 0 50 ECAA CCN(CCN1CCOCC1)C(=O)c1cc2n(n1)CCN(C(C)=O)C2 65384543 MBNLHXRDCRYEIP-UHFFFAOYSA-N 349.435 0.040 0 50 ECAA CN(C)C[C@@H]1CN(C[C@@H](O)c2ccc(S(C)(=O)=O)cc2)CCO1 229555160 ORPPTQRDUVGFTD-GDBMZVCRSA-N 342.461 0.386 0 50 ECAA Cc1ccc(S(=O)(=O)N[C@H]2CCC(=O)N(C)C2)cc1N(C)C 121246160 SRIWRDWBOLNWDH-LBPRGKRZSA-N 325.434 0.960 0 50 ECAA NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(CCC(=O)O)cc1 320047060 LBDXHFUFWDGVGI-ZDUSSCGKSA-N 340.401 0.732 0 50 ECAA Cc1ccc([C@H](O)CNC(=O)c2cn(C3CCNCC3)nn2)cc1 151914146 XAFAENKLMZPDCM-MRXNPFEDSA-N 329.404 0.974 0 50 ECAA CN(CC(=O)N1CCOCC1)C[C@@H]1CCN(C)[C@H]1c1cccnc1 328622274 BBCKCKVZUSUPGR-WMZOPIPTSA-N 332.448 0.865 0 50 ECAA COc1cccc([C@@H](C)C(=O)N2C[C@H](N(C)CC(=O)O)[C@H](O)C2)c1 328604157 IQVSLJBYOIRBOF-BYCMXARLSA-N 336.388 0.387 0 50 ECAA CC(=O)N[C@@H]1CC[C@@H](C(F)(F)F)N(C(=O)CN2CCCC2=O)C1 330565033 JYLFFBIXYFDLNV-MNOVXSKESA-N 335.326 0.667 0 50 ECAA NC(=O)c1cc(C(=O)N2CCC[C@H]2C(=O)O)nn1-c1ccccc1 262725233 YQGGANVVQOOEDD-LBPRGKRZSA-N 328.328 0.660 0 50 ECAA Cc1cc(C)n(CC(=O)N2CCC3(CC2)CN(C)C(=O)O3)c(=O)n1 77285717 AWSYFHLLIMPAPW-UHFFFAOYSA-N 334.376 0.303 0 50 ECAA CCS(=O)(=O)NCCS(=O)(=O)N1CCn2cccc2[C@@H]1C 177410194 JHFXAYCQWQRNPC-NSHDSACASA-N 335.451 0.134 0 50 ECAA Cc1cc2c(cc1NC(=O)N1CCC[C@@H]1C(N)=O)n(C)c(=O)n2C 426383181 WTFBVPJVFJFBQP-LLVKDONJSA-N 331.376 0.667 0 50 ECAA O=C1CC[C@@H](C(=O)NCCCN2CCCc3ccccc32)NC(=O)N1 97527366 IRSORVGJEXTLHL-AWEZNQCLSA-N 344.415 0.934 0 50 ECAA CN(CCNC(=O)c1ccc2cccc(F)c2n1)S(C)(=O)=O 97463519 PWGJYADTSAEGLV-UHFFFAOYSA-N 325.365 0.995 0 50 ECAA CCOCC(=O)N1CCC(C(=O)N2Cc3nnc(C)n3[C@H](C)C2)CC1 96133793 OARULSUJYPOCNE-GFCCVEGCSA-N 349.435 0.765 0 50 ECAA CS(=O)(=O)CCC(=O)N1CCCN(C(=O)c2ccsc2)CC1 331671298 OQZWCIFUCGRJCI-UHFFFAOYSA-N 344.458 0.857 0 50 ECAA O=C(CN1C[C@H]2CC[C@@H]1CN(Cc1ccccn1)C2)N1CCNCC1 92003936 LZAOQGIIKFBXTG-FUHWJXTLSA-N 343.475 0.410 0 50 ECAA NC(=O)[C@H](c1ccccc1)N1CCC([C@H](O)C(=O)NC2CC2)CC1 299741424 FTUXWBGRJHDAHG-HOTGVXAUSA-N 331.416 0.565 0 50 ECAA COCCn1cnnc1CCNC(=O)c1ccc2c(n1)N(C)CC2 1940193462 TUEWYLXUTRZANI-UHFFFAOYSA-N 330.392 0.284 0 50 ECAA COc1cc2c(cc1CNC(=O)[C@H]1CCC(=O)NC(=O)N1)OCCO2 299796053 MUGXPOFTVRPJEK-SNVBAGLBSA-N 349.343 0.071 0 50 ECAA CN1CCN(CC(=O)NC2CCN(Cc3cccc(O)c3)CC2)C1=O 299769559 OACBHGHIKJLWDB-UHFFFAOYSA-N 346.431 0.840 0 50 ECAA CC(=O)N[C@@H](CCC(N)=O)c1ncnn1-c1ccc2c(c1)OCO2 820585237 TUTSBRVOCAVFSM-NSHDSACASA-N 331.332 0.439 0 50 ECAA CN1Cc2ccc(CN(C)C(=O)CCn3ccc(O)nc3=O)cc2C1 584896153 LMXWTUNGWULEMY-UHFFFAOYSA-N 342.399 0.943 0 50 ECAA Cc1ncnc(N2CCN(C(=O)c3nc4ncccn4n3)CC2)c1C 828219151 KNHSUSRUUVWPDC-UHFFFAOYSA-N 338.375 0.494 0 50 ECAA COc1cccc2c1OC[C@@H](NC(=O)Cn1cc(C)c(O)nc1=O)C2 670439686 XIDWFHCRIXMVRZ-LBPRGKRZSA-N 345.355 0.386 0 50 ECAA Cc1nc2n(n1)CCN(S(=O)(=O)C[C@H]1CC[C@H](C3CC3)O1)C2 952876608 CWDGHGPEVIISOW-CHWSQXEVSA-N 326.422 0.690 0 50 ECAA Cc1nccc(N[C@@H]2COCC[C@@H]2NC(=O)Cn2ccccc2=O)n1 952887198 KJWPUZGLHRKPBF-UONOGXRCSA-N 343.387 0.333 0 50 ECAA CC(C(=O)NC[C@H]1C[C@H](c2nn(C)c(=O)n2C)C[C@H]1O)=C1CCC1 952849627 YPWFIYAYZJYTIA-BFHYXJOUSA-N 334.420 0.590 0 50 ECAA CNC(=O)COc1cccc(OC[C@H]2C[N@@]2Cc2cnn(C)c2)c1 1875381224 NVOWNADBQBVFHC-SPLOXXLWSA-N 330.388 0.808 0 50 ECAA O=C(N[C@@H]1C[C@H](Cn2ccnc2)C[C@H]1O)c1ccn2ncnc2c1 1875402613 ISGBWXJSBLCLGO-IACUBPJLSA-N 326.360 0.495 0 50 ECAA C[C@H]1[C@H](NC(=O)C23CC(CO2)C3)CCCN1C(=O)Cc1ccnn1C 1875407289 WUBOPEAFNFUCTE-PXLMOHRFSA-N 346.431 0.637 0 50 ECAA CN1CCO[C@@H](CNC(=O)c2n[nH]c3c2CCC3)[C@@H]1c1ccnn1C 886079642 ODLCUAWGIMJTRZ-HOCLYGCPSA-N 344.419 0.434 0 50 ECAA CCCn1[nH]cc/c1=N\C(=O)CN1C[C@H](OC)C[C@H]1c1ncc[nH]1 1775956860 DURVPCRWYYERPH-AWZRPYOKSA-N 332.408 0.839 0 50 ECAA COC(=O)c1cc(C2CN(S(=O)(=O)CC[C@H]3CCCO3)C2)[nH]n1 1775990297 LERUOUICKFEMQO-LLVKDONJSA-N 343.405 0.494 0 50 ECAA O=C(CCn1cnnn1)N[C@H]1CCOC[C@@H]1OCc1ccccc1 1565529315 VYCBGWWTFNKIKV-GJZGRUSLSA-N 331.376 0.554 0 50 ECAA Cc1ccnc2nc(C(=O)N3CCN(C(=O)N(C)C)CC3(C)C)nn12 408123926 KXXJBTYNNHNCCR-UHFFFAOYSA-N 345.407 0.651 0 50 ECAA CNS(=O)(=O)c1ccc(C(=O)NCc2cnc(C3CC3)o2)cn1 408522387 IGWLVIVEMWJFMR-UHFFFAOYSA-N 336.373 0.785 0 50 ECAA Cn1c(=O)c(CN2C[C@@H](O)[C@H](n3ccnn3)C2)cc2ccccc21 639742395 QGDWCBMGSZCGND-HZPDHXFCSA-N 325.372 0.548 0 50 ECAA Cc1cnc(C(=O)N2C[C@H](C(C)C)[C@@H](NS(C)(=O)=O)C2)cn1 216596798 YGFPVFPDDBPEJL-YPMHNXCESA-N 326.422 0.431 0 50 ECAA Cn1ccc(NC(=O)CN2CCCN(C(=O)[C@@H]3CCCO3)CC2)n1 1772707485 TWHRSAQLZSRFHS-ZDUSSCGKSA-N 335.408 0.072 0 50 ECAA CN1C[C@]23C=C[C@H](O2)[C@H](C(=O)NCc2nc4ncccc4o2)[C@@H]3C1=O 1857675537 CIOQUPGYDRMDPD-CKUNFZFASA-N 340.339 0.251 0 50 ECAA Cc1ccc(OCCN)c(C(=O)N[C@@H]2C[C@H]3CO[C@H](C)CN3C2)c1 1857711783 MIVMETRMAHFIIX-KFWWJZLASA-N 333.432 0.924 0 50 ECAA COCCC[C@@]1(CO)CN(C(=O)c2nn(C)cc2Cl)CC[C@H]1O 1857713323 VDQZSTHCBKVWQG-DOMZBBRYSA-N 345.827 0.686 0 50 ECAA COc1ccc(C(=O)N2C[C@H]3COC[C@@H](C2)C(=O)N3C)c(OC)c1 1857721487 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Cc1nc(C)c(C(=O)N[C@@H]2COCC[C@@H]2OCC(=O)N(C)C)s1 220078295 KAIGRGNKIANTGM-NEPJUHHUSA-N 341.433 0.752 0 50 ECAA CN(CCC(=O)N1CCN(c2ccccc2)C(=O)C1)S(C)(=O)=O 82092277 BJDLUVGXFBEFEE-UHFFFAOYSA-N 339.417 0.143 0 50 ECAA CNC(=O)C[C@@H]1C(=O)NCCN1C(=O)CSCc1ccccc1C 220494767 ZEYSLNDLQWUFEG-CQSZACIVSA-N 349.456 0.691 0 50 ECAA COc1cc(S(=O)(=O)NCCO)c(OC)cc1Br 41096064 IQXYVNABLBAOTD-UHFFFAOYSA-N 340.195 0.737 0 50 ECAA NC(=O)C(=O)N1CCC[C@@]2(CCC(=O)N(CCc3ccccc3)C2)C1 82161399 PHRWCKCJCXKDRC-IBGZPJMESA-N 343.427 0.946 0 50 ECAA CC[C@H](C(=O)NCCc1nc(-c2cccnc2)no1)N1CCOCC1 223012224 PHVMDYAPLPJEKL-CQSZACIVSA-N 345.403 0.901 0 50 ECAA Cc1ccc2[nH]c(C(=O)N[C@@H]3CCOC[C@H]3OCC(N)=O)nc2c1 220229956 NDLJZVKPIWMIRE-DGCLKSJQSA-N 332.360 0.261 0 50 ECAA Cc1[nH]ccc1C(=O)N1CCN(c2nc(C(N)=O)cs2)C[C@H](O)C1 97757984 OJHUVFBPLYBXDI-SNVBAGLBSA-N 349.416 0.202 0 50 ECAA O=C(NC[C@@H]1CNCCO1)Nc1ccc2c(c1)C(=O)N(C1CC1)C2=O 96136642 FYXJDORVGVRQOU-LBPRGKRZSA-N 344.371 0.555 0 50 ECAA O=C(c1cc(-n2cnnn2)[nH]n1)N1CCN(C2CCCCC2)CC1 244873629 WTEVXTKVGPDLLI-UHFFFAOYSA-N 330.396 0.476 0 50 ECAA COc1coc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1=O 342332182 BMUBTCKXEXRDLE-UHFFFAOYSA-N 338.341 0.226 0 50 ECAA Cc1nonc1CN1CCN(c2cc([C@H]3C[C@@H](N)C3)nc(N)n2)CC1 244882555 XTZBAORQHBVTFY-TXEJJXNPSA-N 344.423 0.277 0 50 ECAA CC1CCC(NS(=O)(=O)CC(=O)N2CC[C@H](C(=O)O)C2)CC1 299740621 APCGSAIYFOTCDZ-CXQJBGSLSA-N 332.422 0.418 0 50 ECAA CC(C)[C@H](O)c1nnc2ccc(C(=O)N3CCNC(=O)CC3)cn12 1940198115 OIMFFSLUWSNWIA-AWEZNQCLSA-N 331.376 0.381 0 50 ECAA O=C(CCCc1cn[nH]c1)N[C@@H]1CCN(Cc2cscn2)C[C@H]1O 299795691 NIMWXROHAVXHEJ-HUUCEWRRSA-N 349.460 0.941 0 50 ECAA C=CC(=O)N(C)CC(=O)N[C@H]1CCCN(C(=O)Cc2ccccc2)C1 861564316 KHHDMUPYAIQXJD-INIZCTEOSA-N 343.427 0.981 0 50 ECAA O=C(NCC(=O)N1CCc2ccccc21)[C@H]1CN2CC3CC2(CO1)C3 952883837 RLWWIHCJDUMLGL-ZHTDJMBKSA-N 341.411 0.555 0 50 ECAA CC1(C)Cc2c(cnn2-c2ccncc2)CN(C(=O)C2(O)CNC2)C1 952893835 JXVSMLDYNCZMEY-UHFFFAOYSA-N 341.415 0.513 0 50 ECAA Cc1cn(CC(=O)N2CCC(C3CCNCC3)CC2)c(=O)nc1O 1161203974 LBPWMUDMDCAOAX-UHFFFAOYSA-N 334.420 0.496 0 50 ECAA CC(C)N(CC(=O)N1CCCCCC1)S(=O)(=O)c1cnn(C)n1 1875290580 QYVPUIDCTLJQPM-UHFFFAOYSA-N 343.453 0.617 0 50 ECAA CC1CCN(C(=O)[C@@H](C)N2CCC(O)(Cn3ccnn3)CC2)CC1 1875254705 IDXWGFTYNAMZTH-OAHLLOKOSA-N 335.452 0.752 0 50 ECAA O[C@H](COc1cnsn1)CN(CC1CCOCC1)C1COC1 1875394222 ZRASQSXDLHZQNU-ZDUSSCGKSA-N 329.422 0.405 0 50 ECAA CNC(=O)C[C@@H]1CN(C(=O)CCc2ccc3c(c2)COCC3)C[C@H]1O 1875403811 FAONLMDGGIHNDT-NVXWUHKLSA-N 346.427 0.647 0 50 ECAA Cn1nnc(C(=O)N[C@@H]2CCOC[C@H]2N2CCCC2)c1C(F)F 1875405285 BWYMLKCOUKYSJH-NXEZZACHSA-N 329.351 0.736 0 50 ECAA NC(=O)CN1CCC[C@H](C(=O)N2CC(Oc3ccccc3F)C2)C1 952854438 ILDKWXITRPSWDZ-LBPRGKRZSA-N 335.379 0.613 0 50 ECAA CN(C)C(=O)COC[C@H]1CN(c2cccc(=O)n2C)CC(C)(C)O1 886040550 LJCBFUGXZWLVJE-CYBMUJFWSA-N 337.420 0.474 0 50 ECAA O=C1CC[C@H](CC(=O)N2CC(OCc3nc(C4CC4)no3)C2)CN1 886097236 VHSWJQPSKLHHCI-SNVBAGLBSA-N 334.376 0.591 0 50 ECAA CN1CCO[C@@H](CNC(=O)NCc2ncc(Br)cn2)C1 892826396 IPSQUZNFEGUZEU-JTQLQIEISA-N 344.213 0.369 0 50 ECAA CN(Cc1nc([C@H]2C[C@H](F)CN2)n[nH]1)C(=O)c1nn(C)cc1Cl 1775958320 QYHOHOGBFSQJHA-IONNQARKSA-N 341.778 0.836 0 50 ECAA O=C(N[C@H]1CCN(C(=O)CN2CCCC2)C[C@@H]1O)c1ccccc1 991239837 VEHPBMBYVRGHHI-HOTGVXAUSA-N 331.416 0.474 0 50 ECAA CN1CN(C(=O)C[C@]2(O)CCCN(Cc3ccccc3)C2)CC1=O 644416050 DQAIJQAMGHQYMB-GOSISDBHSA-N 331.416 0.662 0 50 ECAA Cc1noc(C)c1S(=O)(=O)N1CCN(C)C2(CCOCC2)C1 1800409550 IGVMNIRBSCLYHR-UHFFFAOYSA-N 329.422 0.777 0 50 ECAA COc1ccc(S(=O)(=O)NCCN2CCOCC2)cc1Cl 16489504 ZAOLAXPGTPGEJM-UHFFFAOYSA-N 334.825 0.959 0 50 ECAA CCOC(=O)C1=NN[C@H]2C(=O)N(c3ccc(Cl)c(F)c3)C(=O)[C@@H]12 18066171 OKYDGXKQNAAIFR-NXEZZACHSA-N 339.710 0.859 0 50 ECAA Cc1cc(F)ccc1C(=O)N1C[C@H]2COC[C@]2(c2n[nH]c(=N)o2)C1 1857529030 UBWKASOZIGQXGF-MGPLVRAMSA-N 332.335 0.970 0 50 ECAA Cc1nc[nH]c1-c1nccn1CCS(=O)(=O)N1CCOCC1 1857730403 OWXPMMNDNYUFQH-UHFFFAOYSA-N 325.394 0.244 0 50 ECAA NC(=O)C[C@@]1(O)CCCN(C(=O)c2cc(Br)co2)C1 643995517 JLLNDPQJACYNQQ-LBPRGKRZSA-N 331.166 0.885 0 50 ECAA CCCOc1ncccc1CNC(=O)CN1CCCC[C@@H](O)C1=O 644327889 ZXCAUJSDWZFKNB-CQSZACIVSA-N 335.404 0.860 0 50 ECAA C[C@H]1CN(CCC(=O)N2CCN(C)CC2)C[C@]2(CCCOC2)O1 252478037 AAMQMPBGTNGADJ-RDJZCZTQSA-N 325.453 0.420 0 50 ECAA COc1cc(C(=O)O)ccc1S(=O)(=O)NCCc1cn(C)nn1 2325754744 ADXQKCMMUTUYPA-UHFFFAOYSA-N 340.361 0.043 0 50 ECAA O=C(N[C@@H]1CCNC[C@@H]1CO)c1nn(-c2ccc(F)cc2)cc1O 2325789354 LBYRKYZVIGSFHF-ZWNOBZJWSA-N 334.351 0.417 0 50 ECAA Cc1ccnc(-c2n[nH]c([C@H](C)NC(=O)[C@@H](N)Cc3cc[nH]n3)n2)c1 2325840960 ZUFFNBSSAGZGED-JQWIXIFHSA-N 340.391 0.645 0 50 ECAA Cc1[nH]nc(CCC(=O)N2CCC3(CC2)C[C@@H](O)[C@@H](O)CO3)c1C 2356142967 OYTIEQXUOIRPQU-CABCVRRESA-N 337.420 0.462 0 50 ECAA O=C(c1ncc[nH]c1=O)N1CCc2nc(-c3ccccc3)nn2CC1 2356146207 WNBOZVFEQHGVAW-UHFFFAOYSA-N 336.355 0.727 0 50 ECAA O=C1CC[C@@H](C(=O)N2CCc3nc(-c4ccccc4)nn3CC2)N1 2356167709 ZBPBDSFNYMGITP-ZDUSSCGKSA-N 325.372 0.608 0 50 ECAA COC(=O)c1nn(C)c2c1CN(c1ncc3c(ncn3C)n1)CC2 2356169634 FOHBYEMTFKRHPN-UHFFFAOYSA-N 327.348 0.446 0 50 ECAA COCCN1C[C@H](CNC(=O)[C@@H]2COc3ccccc3C2)CC1=O 20453244 SRHSCQWGSNSOKN-ZFWWWQNUSA-N 332.400 0.849 0 50 ECAA CCc1nc(CN2CCC[C@H](NC[C@@H](O)Cn3cccn3)C2)no1 229572213 IBIRTJRLGWZXEB-UONOGXRCSA-N 334.424 0.444 0 50 ECAA O=C(NC1CC1)[C@H](c1ccccc1)N1CCO[C@@H](Cn2cncn2)C1 229552385 AADPNSLGLHKWJI-SJORKVTESA-N 341.415 0.999 0 50 ECAA CNS(=O)(=O)[C@@H]1CCN(C(=O)CCn2cnc3ccccc32)C1 121850570 QEXKMLAXJHRYLP-GFCCVEGCSA-N 336.417 0.577 0 50 ECAA CS(=O)(=O)N1CC[C@@H]2[C@@H](CCC(=O)N2CCCn2ccnc2)C1 72422867 BQTSRENADXXOQT-UONOGXRCSA-N 340.449 0.546 0 50 ECAA CC1(C)NC(=O)N(CC(=O)NCc2ccccc2-n2cncn2)C1=O 216523442 NFKMTSCEBHGWFW-UHFFFAOYSA-N 342.359 0.214 0 50 ECAA C[C@@H](O)C(=O)N1CCc2ccc(S(=O)(=O)NC3CCC3)cc2C1 77337761 BVJGJXRUMAXBHY-LLVKDONJSA-N 338.429 0.783 0 50 ECAA CC(=O)N1CCCc2ccc(S(=O)(=O)N3CCN[C@@H](C)C3)cc21 237644779 QTINONXDIIQEFS-LBPRGKRZSA-N 337.445 0.968 0 50 ECAA C[C@@H](C1CCN(C(=O)c2ccc(=O)[nH]c2)CC1)N1CCN(C)CC1 77301705 HITWIJAWMOIWIA-AWEZNQCLSA-N 332.448 0.863 0 50 ECAA Cc1ccc(CC(=O)N(C)CC(=O)N2CCC[C@H](C(=O)O)C2)cn1 262206199 PGVMHXQERVNRIQ-AWEZNQCLSA-N 333.388 0.714 0 50 ECAA C[C@@H](c1nnnn1C)N1CCC(CNC(=O)c2cnn(C)c2)CC1 242389347 ZWIZOUHEZWTMOG-NSHDSACASA-N 332.412 0.147 0 50 ECAA O[C@]1(Cn2ccnn2)CCCN(c2cc(NCC3CC3)ncn2)C1 284393465 BQLBUGMATLNBIL-MRXNPFEDSA-N 329.408 0.922 0 50 ECAA CC(=O)c1c(C)nn(CC(=O)NCC2(N(C)C)CCOCC2)c1C 220423805 VHKXRMZGLWXLNQ-UHFFFAOYSA-N 336.436 0.930 0 50 ECAA Cc1c[nH]c(C(=O)N2C[C@H](CO)[C@H](CN3CCCN(C)CC3)C2)n1 92064770 BYBHDZFQOURIIE-HUUCEWRRSA-N 335.452 0.036 0 50 ECAA Cc1n[nH]c(C)c1[C@@H](N)C(=O)N1CCCN(C(=O)c2ccco2)CC1 91562746 BEJDLXTYAJSUSO-OAHLLOKOSA-N 345.403 0.994 0 50 ECAA O=C(N[C@@H]1CCN(C(=O)c2ccccn2)C[C@H]1O)c1cccnc1 244875010 XLAGNABKZXCVTN-UKRRQHHQSA-N 326.356 0.482 0 50 ECAA CC(=O)N1CC[C@@H](NC(=O)c2cc3ccccc3n(C)c2=O)[C@H](O)C1 240128291 IPKKOXNUPCGPNF-GDBMZVCRSA-N 343.383 0.250 0 50 ECAA COc1cccc([C@H](CNC(=O)N2CCO[C@H](C(=O)O)C2)OC)c1 626773603 QZZUDCQRCQECBW-KBPBESRZSA-N 338.360 0.878 0 50 ECAA CCCN1C(=O)N[C@H](CC(=O)N2Cc3nc(C)nc(O)c3C2)C1=O 253537343 PCHWELBXJPYLCQ-SNVBAGLBSA-N 333.348 0.053 0 50 ECAA O=C(NC1CCN(c2ncccn2)CC1)c1ccc(C(=O)O)nc1 299752733 VFGIKGIZTISYSF-UHFFFAOYSA-N 327.344 0.969 0 50 ECAA CCc1cc(C[C@@H]2CC(=O)N(CCOC)C2)nc(N2CCOCC2)n1 299792432 FTSYRQGMKBUKLY-CQSZACIVSA-N 348.447 0.913 0 50 ECAA C[C@@H](CN1CCc2ccccc2C1)NC(=O)CCCS(N)(=O)=O 821783725 MRCWAKKBBRXXGY-ZDUSSCGKSA-N 339.461 0.618 0 50 ECAA Cc1c[nH]ccc1=NCCNC(=O)c1cnc2cccc(C)n2c1=O 670442545 IWSOAHFKNGGTND-UHFFFAOYSA-N 337.383 0.970 0 50 ECAA Cn1cnnc1SCCNC(=O)c1cccc(-n2cnnc2)c1 670441043 FAIXOZQXOSJJCO-UHFFFAOYSA-N 329.389 0.918 0 50 ECAA CN1CCN(C(C)(C)CNC(=O)N(CCO)Cc2ccco2)CC1 670468800 NMUQIZNDSZXGTN-UHFFFAOYSA-N 338.452 0.810 0 50 ECAA COC(=O)CN(C)C(=O)CN(c1cccc(C)c1)S(C)(=O)=O 65452639 HUQUMCFHYYYOMK-UHFFFAOYSA-N 328.390 0.392 0 50 ECAA C=CC(=O)N1CC([C@@H](C)NC(=O)Cn2cc([C@H]3CCOC3)cn2)C1 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O=C(Cc1cccc(F)c1)NCC(=O)N1CCC[C@@H]1C(=O)NC1CC1 131257020 UGEKWZOQYRJSJI-OAHLLOKOSA-N 347.390 0.754 0 50 ECAA C[C@@H](c1cnccn1)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 241564212 OSHFWTCPSKRAKS-UONOGXRCSA-N 340.449 0.664 0 50 ECAA CCn1c(CCNC(=O)C[C@H]2NC(=O)NC2=O)nc2ccccc21 215068077 HXSJEPCHCFJUNL-LLVKDONJSA-N 329.360 0.313 0 50 ECAA Cc1nc(N(C)C)ncc1C(=O)NCc1nnnn1-c1ccccc1 95379150 YAUNXLMHZUMQHM-UHFFFAOYSA-N 338.375 0.757 0 50 ECAA COc1ccc2c(c1)OC[C@H](CNC(=O)CSc1n[nH]c(N)n1)C2 95518980 BRPSGWZKYOQIFD-VIFPVBQESA-N 349.416 0.855 0 50 ECAA COCCN1CCC[C@]2(CCN(C(=O)Cn3ccccc3=O)C2)C1=O 92028851 KQXHHHFMGIFVOR-GOSISDBHSA-N 347.415 0.336 0 50 ECAA CN(C)c1ncc(CN2CCC3(CC2)[C@@H](OCCN)C[C@H]3O)cn1 91915301 HAMQAAYXDFILGD-CABCVRRESA-N 335.452 0.233 0 50 ECAA O=C(CO)N1CCC2(CCC(=O)N(CCc3ccncc3)C2)CC1 91548771 GMGRCFBMTCRFSV-UHFFFAOYSA-N 331.416 0.848 0 50 ECAA CCc1ncc(C(=O)N2C[C@H]3CC[C@@H]2CN(CC(=O)N(C)C)C3)cn1 92021005 JJEWUPWAACYVNV-DZGCQCFKSA-N 345.447 0.664 0 50 ECAA 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Cc1cc(C(=O)N2Cc3nnc(C)n3C[C@@H]2CN(C)C)c(C)nn1 685942362 JNXYVRGLHDESLD-ZDUSSCGKSA-N 329.408 0.580 0 50 ECAA C=CC(=O)N1CC(O)(CNC(=O)c2cnn(C3CCCC3)c2C)C1 1875389723 ZGEMNYMRPKMAQC-UHFFFAOYSA-N 332.404 0.796 0 50 ECAA CS(=O)(=O)c1ccc(N2CCO[C@@H](CN3CCOCC3)C2)nc1 1875287006 QZFYILHVJZVVKU-ZDUSSCGKSA-N 341.433 0.023 0 50 ECAA Cn1nnnc1N1CCN(Cc2noc(C3CCCCC3)n2)CC1 1875253428 YZFWBKUNJVRSPT-UHFFFAOYSA-N 332.412 0.963 0 50 ECAA O=C(NCc1ccc2c(c1)CCS2(=O)=O)c1cc2n(n1)CCCN2 1875321559 MYEPBTSOOKZVJU-UHFFFAOYSA-N 346.412 0.959 0 50 ECAA Cc1cc(C(=O)N2CCCN(c3ncnc4[nH]cnc34)CC2)nn1C 1057100731 SPJMWWPRDCHOHJ-UHFFFAOYSA-N 340.391 0.747 0 50 ECAA CN1CCc2ccc(C(=O)N[C@H]3COC[C@H]3Oc3cnn(C)c3)cc21 888093623 LJABZJGLTUBDPM-DOTOQJQBSA-N 342.399 0.989 0 50 ECAA Cc1noc(C)c1CN1CC[C@H](NC(=O)c2cncn2C)[C@@H](O)C1 1090401107 ALGRRRMMVVFKPV-ZFWWWQNUSA-N 333.392 0.390 0 50 ECAA C[C@@H](NC(=O)c1cnc2c(c1)c(=O)nc(O)n2C)C1=CCN(C)CC1 273044116 WNCBOAXACGIRDJ-SNVBAGLBSA-N 343.387 0.414 0 50 ECAA 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Cn1c(CN2CCC(C(=O)N3CCCC3)CC2)nnc1[C@H]1C[C@@H](N)C1 244659763 HIHAHHAXXAXCJV-GASCZTMLSA-N 346.479 0.854 0 50 ECAA CCc1ocnc1C(=O)N[C@@H]1CCN(C(=O)c2ccccn2)C[C@H]1O 243885546 AACABYWEKLTSQZ-DGCLKSJQSA-N 344.371 0.637 0 50 ECAA O=C1CCN(C(=O)NCc2ccccc2CN2CC[C@@H](O)C2)CCN1 182894412 CUKXZIVGMAMNFR-MRXNPFEDSA-N 346.431 0.285 0 50 ECAA CNc1cc([C@H]2C[C@@H](NC(=O)Cc3c(C)nc(O)nc3O)C2)ncn1 253534904 SYTJPWJPWNKIBJ-AOOOYVTPSA-N 344.375 0.633 0 50 ECAA COCc1n[nH]c(NC(=O)C[C@H]2NC(=O)c3ccccc3N=C2O)n1 252540575 PNGFUVZQWBPHPX-SNVBAGLBSA-N 344.331 0.680 0 50 ECAA C[C@@H]1CN(C2CCN(C(=O)CNC[C@H]3CCCO3)CC2)CCO1 299739119 KTSKCZVTDMQWFZ-GDBMZVCRSA-N 325.453 0.467 0 50 ECAA CNC(=O)c1cc(S(=O)(=O)N2CCCNCC2)ccc1OC 534649316 RFJQMMPZZSMLER-UHFFFAOYSA-N 327.406 0.039 0 50 ECAA COCC(=O)N1CCCN(C(=O)[C@@H]2CN(C)c3ccccc3O2)CC1 299780311 UOFDPVDYMOYJHN-INIZCTEOSA-N 347.415 0.591 0 50 ECAA Cn1c(CO)nnc1C1CCN(c2cc([C@@H]3CCOC3)ncn2)CC1 299760575 IBZQUXKSYLGBEV-CYBMUJFWSA-N 344.419 0.985 0 50 ECAA COc1ccc2nc(CNC(=O)CCNS(C)(=O)=O)[nH]c2c1 584885562 UXXFBAFFZHAQDC-UHFFFAOYSA-N 326.378 0.127 0 50 ECAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N3CC(O)(c4nccn4C)C3)n[nH]c21 1875394986 FJIIRULAPJLVIB-ZJUUUORDSA-N 331.376 0.509 0 50 ECAA O=C(NC[C@H]1CCOC1)N1CCC(n2[nH]c(C3CC3)nc2=O)CC1 1875305559 FENRJQKTUAQGQD-LLVKDONJSA-N 335.408 0.832 0 50 ECAA COC(=O)[C@@H](C)CN(C)c1ncnc2c1ncn2CC1(CO)COC1 1875269281 SGHTWDZDAWCULL-NSHDSACASA-N 349.391 0.081 0 50 ECAA CC1(C)C(=O)N[C@@H]2CC[C@H](C(=O)N3CC[C@@H](Cc4nn[nH]n4)C3)C[C@H]21 1875405276 BTFGOZCPFWENPF-WUHRBBMRSA-N 346.435 0.532 0 50 ECAA Cc1cc(N2CCCN(C(=O)[C@@H]3CCCN3C(N)=O)CC2)ccn1 952980923 BCXBBPKEIDPZKW-HNNXBMFYSA-N 331.420 0.972 0 50 ECAA CCO[C@@]1(C)C[C@H]1NC(=O)N1C[C@@H]2COCC[C@]2(C(=O)NC)C1 1775993554 FSUYWTNBDCXQEQ-MPTQWLOMSA-N 325.409 0.348 0 50 ECAA CSc1nc(NC(=O)Cn2ncn(C)c2=O)cc(C(F)(F)F)n1 1775998888 LVIFMNPICXZHKE-UHFFFAOYSA-N 348.310 0.751 0 50 ECAA Cn1cccc(C(=O)N2CCC([C@@H]3CC[C@H](C(=O)O)O3)CC2)c1=O 1775958266 NIFGNZBDYAKGPD-UONOGXRCSA-N 334.372 0.870 0 50 ECAA CC(=O)NC[C@H]1CCn2ncc(C(=O)N3CCC4(CN(C)C4)C3)c2C1 1776002360 QYZJGIRTSWIQOW-AWEZNQCLSA-N 345.447 0.359 0 50 ECAA COc1ccccc1[C@]1(C)C[C@@H]1NS(=O)(=O)[C@@H]1COC[C@H]1O 1363946298 QFJIHAPFWJTFPC-RZFFKMDDSA-N 327.402 0.404 0 50 ECAA NC(=O)[C@@H]1CN(c2ccc3nnc(-c4ccsc4)n3n2)CCO1 274715951 ZMAFJBXDAQAIPF-JTQLQIEISA-N 330.373 0.543 0 50 ECAA COC[C@@H](NC(=O)N[C@@H]1CCCN(c2nccn(C)c2=O)C1)C1CC1 275736234 PVIGLDQLBJMCTE-ZIAGYGMSSA-N 349.435 0.473 0 50 ECAA COCCn1cc(CN2CC[C@](NC(C)=O)(c3nc(C)no3)C2)cn1 643722536 JKTOJLDUEJGOPA-MRXNPFEDSA-N 348.407 0.458 0 50 ECAA NC(=O)C[C@@]1(O)CCCN(C(=O)c2cccc(C(F)(F)F)n2)C1 643996485 HNDGYVKSNXJVQI-ZDUSSCGKSA-N 331.294 0.943 0 50 ECAA CC(C)Cn1cnc(S(=O)(=O)N2CCOC[C@]23CCOC3)c1 195482722 VXYJVEUIHQKICD-CQSZACIVSA-N 329.422 0.719 0 50 ECAA CN(C)[C@H]1CCN(C(=O)C(=O)Nc2ccc3c(=O)[nH]ccc3c2)C1 657622999 RJWPJUOFSXFRJC-ZDUSSCGKSA-N 328.372 0.629 0 50 ECAA Cc1ccccc1CC(=O)N1C[C@H]2COC[C@@H](C1)CN2CC(=O)O 1704303248 GBCCWWZPNSGAPY-ZBFHGGJFSA-N 332.400 0.781 0 50 ECAA CN1CC[C@@H]2CN(S(=O)(=O)c3cnc4ccccn34)C[C@@H]2C1=O 1772811695 XNLGERWGXXTKHZ-NEPJUHHUSA-N 334.401 0.433 0 50 ECAA CC1CCN(Cc2nnnn2CC(=O)N2CC[C@H](N(C)C)C2)CC1 14975525 OJBXCBZIOZDSRV-AWEZNQCLSA-N 335.456 0.068 0 50 ECAA CCc1cnc(CCNS(=O)(=O)N2CCC(C(=O)O)CC2)s1 645986111 FIFKRXDSNNZJFC-UHFFFAOYSA-N 347.462 0.879 0 50 ECAA CN1C(=O)CC[C@H]1C(=O)N1CCN(Cc2nccn2C(F)F)CC1 329439495 MRMCAQCGCNFJNY-NSHDSACASA-N 341.362 0.543 0 50 ECAA COc1cccc2c1CC[C@]2(N)C(=O)N1CCCN(C(C)=O)CC1 911637250 SFKKHYJETDNQSQ-GOSISDBHSA-N 331.416 0.876 0 50 ECAA C[C@H](NC(=O)c1cccc(-c2cnnc(=N)[nH]2)c1)[C@@H](C)n1cncn1 2325865109 MZTZHDXKGPOGRT-WDEREUQCSA-N 338.375 0.922 0 50 ECAA Cn1c(=O)c2c(ncn2CC(=O)Nc2cccc(F)c2)n(C)c1=O 263692 VVUOKEXSZPVXHC-UHFFFAOYSA-N 331.307 0.212 0 50 ECAA biogenic CN=c1ccnc(N2CC[C@@H](O)[C@](Cc3ccccc3)(C(=O)O)C2)[nH]1 2356146421 FHTTUYZWLGTFHW-RDTXWAMCSA-N 342.399 0.825 0 50 ECAA COC(=O)C[C@@H]1[C@@H](C(=O)OC)C(=O)C(=O)N1Cc1ccc(OC)cc1 100101889 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RBNLAPLLLNGWLK-DGCLKSJQSA-N 344.437 0.565 0 50 ECAA Cc1nc(C)c(CC(=O)NC[C@@H]2COc3ccccc3O2)c(=O)[nH]1 31214089 POZYOVGDWNRVGR-GFCCVEGCSA-N 329.356 0.885 0 50 ECAA OCC(CO)N1CCC(c2nnc(CN3CCCC3)n2C2CC2)CC1 77428478 FRGVHCZSOXNAQY-UHFFFAOYSA-N 349.479 0.741 0 50 ECAA O=C(Cc1cc2c(cc1Cl)OCCO2)N1CC[C@H](CO)[C@H](O)C1 72150095 CEQUPPVTUZEYLM-ZWNOBZJWSA-N 341.791 0.855 0 50 ECAA CCc1c(C)cc(C(=O)N2CC[C@@]3(CN(C)C(=O)O3)C2)c(=O)n1C 72152115 AUYJLZICQHZSOU-QGZVFWFLSA-N 333.388 0.923 0 50 ECAA CCCc1n[nH]cc1C(=O)N1CC[C@@H](N2CCC(O)CC2)[C@H](O)C1 71639149 LJYCSCKJEPKZHI-HZPDHXFCSA-N 336.436 0.394 0 50 ECAA O=c1cc([C@H]2CCCN(c3ncnc4c3CCNCC4)C2)nc[nH]1 72432430 FEXUZBJKSGFAHE-LBPRGKRZSA-N 326.404 0.632 0 50 ECAA CCOCCn1c(=O)[nH]c2cc(C(=O)NCC(=O)N(C)C)ccc21 77320139 JAFLPKCHCTZYHA-UHFFFAOYSA-N 334.376 0.184 0 50 ECAA Cc1ccc(C(=O)NCCN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)n1C 132309001 SBFVPQRVWXIFOD-JURCDPSOSA-N 327.384 0.870 0 50 ECAA CCc1nn(C)c(CC)c1CC(=O)N1CC[C@@](O)(c2c[nH]nn2)C1 284814374 NSFDYZZZYLYYBD-INIZCTEOSA-N 332.408 0.326 0 50 ECAA CN(C)S(=O)(=O)N1CCCC[C@@H]1CNc1nc[nH]c2ncnc1-2 341047149 LKHPKGKTCHVCDV-SNVBAGLBSA-N 339.425 0.377 0 50 ECAA O=C(CN1CCOC1=O)N[C@@H]1CCOC[C@H]1Oc1cccc(F)c1 223068322 LBEFOVAJPRCCTK-ZIAGYGMSSA-N 338.335 0.930 0 50 ECAA CN(C(=O)C[C@H]1CCCC(=O)N1)C1CCN(CCn2cccn2)CC1 289874716 HXOROMSPZZNTSW-OAHLLOKOSA-N 347.463 0.865 0 50 ECAA O=C(CCS(=O)(=O)c1ccccc1)NCc1cc2n(n1)CCNC2 82107893 HGWIIBORQXDOKD-UHFFFAOYSA-N 348.428 0.467 0 50 ECAA CCn1cc(NC(=O)NC[C@H]2CCCN(S(C)(=O)=O)C2)nn1 95530526 DIRCFDOWVGNIPN-SNVBAGLBSA-N 330.414 0.091 0 50 ECAA COc1ccc(CN(C)C(=O)NCCS(C)(=O)=O)cc1OC 426388099 ASUHTDQYKHSCJH-UHFFFAOYSA-N 330.406 0.890 0 50 ECAA CCCCOC(=O)N1CCC2(CC1)N=C(N1CCOCC1)NC2=O 142556513 BLIRFXCEELEDEL-UHFFFAOYSA-N 338.408 0.576 0 50 ECAA Cc1nc(CC(=O)N2CCN(S(C)(=O)=O)[C@@H](C)C2)c(C)s1 180313881 YGKMBRGZTDLABO-VIFPVBQESA-N 331.463 0.795 0 50 ECAA CCCN1C(=O)N[C@H](CC(=O)N2CCC(c3nncn3C)CC2)C1=O 244633374 GBVUJGVGHBTLBC-GFCCVEGCSA-N 348.407 0.242 0 50 ECAA CCN1CCN(CC(=O)NC[C@@H]2CCCN(CCOC)C2)CC1 824413173 RRWFCFXGHFTKDO-INIZCTEOSA-N 326.485 0.099 0 50 ECAA O=C(O)C[C@H]1CN(C(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)CCO1 268931184 AFKJZTVPZCBATI-GJZGRUSLSA-N 346.383 0.737 0 50 ECAA COc1cc(OC)nc(CNC(=O)CNC(=O)c2ccc(C)cc2)n1 1875328325 LKYPLEGQISNOKZ-UHFFFAOYSA-N 344.371 0.848 0 50 ECAA Cc1cc(O)c(C(=O)N2C[C@H]3[C@H](NC(=O)c4ccc[nH]4)[C@H]3C2)nn1 1875331995 JAOWNMDHPLRKRE-IWIIMEHWSA-N 327.344 0.319 0 50 ECAA C[C@@H]1C[C@H](NC(=O)C23CC(C)(CO2)C3)CN1C(=O)c1cn(C)nn1 1875342773 GPJNYNAIYDQASI-LKWWYQRQSA-N 333.392 0.103 0 50 ECAA CCn1cc(S(=O)(=O)N[C@@H]2CCOC[C@@H]2N2CCCC2)cn1 952876774 FBXDDKKODWBNML-KGLIPLIRSA-N 328.438 0.435 0 50 ECAA CCCc1c(C(=O)NC[C@]2(CO)COC[C@@H](C)N2C)nnn1CC 1875403399 VTRIHOQWQMFRAY-WBMJQRKESA-N 339.440 0.062 0 50 ECAA Cn1cnn(CCC(=O)NC2(c3c(F)cccc3F)COC2)c1=O 886632490 VEDNYEABXODDDY-UHFFFAOYSA-N 338.314 0.292 0 50 ECAA Cc1nnc2n1C[C@H](C(=O)Nc1nn(C)c3ccccc13)N(C)C2 889493251 DIAPZOQLBZKCBQ-CYBMUJFWSA-N 325.376 0.926 0 50 ECAA 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0.918 0 50 ECAA CCOC(=O)C[C@H]1C(=O)NCCN1Cc1ccc(OC)c(OC)c1 55008595 LTDYDEIMJGYYLO-ZDUSSCGKSA-N 336.388 0.957 0 50 ECAA Cn1cc(S(=O)(=O)N2CCCN(C[C@H]3CCCO3)CC2)cn1 248143389 RCBDHBDKKSKOEO-CYBMUJFWSA-N 328.438 0.296 0 50 ECAA C[C@@H]1CN(C(=O)[C@@H](CO)NC(=O)OC(C)(C)C)CC[S@](=O)C1 861327609 ABSRYOUAJQUVLD-RUYXUOGBSA-N 334.438 0.099 0 50 ECAA CNC(=O)c1ccn([C@@H]2CCCN(Cc3nnnn3C(C)C)C2)n1 328628268 HCMPBHRNKHGQEQ-GFCCVEGCSA-N 332.412 0.647 0 50 ECAA O=C(c1snnc1C1CC1)N1CCC[C@@](O)(Cn2ccnn2)C1 329593423 CEMYIYAWVOROOA-AWEZNQCLSA-N 334.405 0.674 0 50 ECAA CN(C)c1noc(CCC(=O)N2CCC[C@H]2CN2CCOCC2)n1 366442129 IITHFOYUOSIPOE-ZDUSSCGKSA-N 337.424 0.391 0 50 ECAA CO[C@H]1C[C@@H](CO)N(CC(=O)N2CCN(c3cccc(C)c3)CC2)C1 332170526 VYPCVKUWELPBOR-ROUUACIJSA-N 347.459 0.725 0 50 ECAA CN1C(=O)[C@H]2CN(C(=O)Cc3c[nH]c4ncccc34)CCN2C1=O 371969716 TZNQZFGTSZWURO-GFCCVEGCSA-N 327.344 0.210 0 50 ECAA CNS(=O)(=O)N1CCN(C(=O)c2ccc(-c3ccccc3)[nH]2)CC1 283029812 YKCYZNGBUYUNRT-UHFFFAOYSA-N 348.428 0.904 0 50 ECAA 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COc1ccnc(CN2CCN(S(=O)(=O)N3CCCC3)CC2)c1 244734432 NFHZQMNWGLQFDL-UHFFFAOYSA-N 340.449 0.548 0 50 ECAA C[C@@H](C(=O)NC(C)(C)C)N1CCN(c2ccnc3nncn23)CC1 244828630 TZSYGTQNVSHFTR-LBPRGKRZSA-N 331.424 0.550 0 50 ECAA CC(C)(C)OC(=O)N1CC[C@@]2(O)CCN(S(C)(=O)=O)C[C@H]2C1 253496011 YXOOSAMBJWWKIH-BXUZGUMPSA-N 334.438 0.640 0 50 ECAA COc1ccc([C@@H](NS(=O)(=O)N2CCCC2)[C@H]2C[C@@H](O)C2)cn1 252571799 YOAMWPOWJMUZLB-VNHYZAJKSA-N 341.433 0.832 0 50 ECAA COc1ccc(S(=O)(=O)N[C@H]2CCC(=O)N(C)C2)cc1OC 265679972 ZSGDHZONPWAGIR-JTQLQIEISA-N 328.390 0.603 0 50 ECAA CN(C)[C@@H]1CCN(CC(=O)NCc2nc(-c3ccncc3)n[nH]2)C1 299769742 PRDFGLZPSHTTQN-CYBMUJFWSA-N 329.408 0.119 0 50 ECAA Cn1cc([C@@H]2CN(C(=O)c3n[nH]c4c3CCC4)C[C@@H]2CC(=O)O)nn1 299800036 UVDOYOFETNWFHN-GXSJLCMTSA-N 344.375 0.357 0 50 ECAA CC(=O)c1cccc(NC(=O)N2CCN3C(=O)CN(C)C(=O)[C@H]3C2)c1 299762387 UVEXEWDVQBQHME-CQSZACIVSA-N 344.371 0.406 0 50 ECAA O=C(CN1CCOC1=O)NCCc1csc(-c2cnccn2)n1 299790247 BKSPGFUCFFNHPF-UHFFFAOYSA-N 333.373 0.711 0 50 ECAA 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0 50 ECAA CN(C)CCn1c(O)nc2ccc(C(=O)NCC3OCCCO3)cc21 822320460 KBNWPMRSBRTFKQ-UHFFFAOYSA-N 348.403 0.796 0 50 ECAA CN1CC[C@H](C(=O)N2[C@H](C(=O)O)C[C@H]3CCCC[C@H]32)S1(=O)=O 647730788 PJJNDEQXFFLHIQ-WISYIIOYSA-N 330.406 0.265 0 50 ECAA COCCN1CCC[C@@H](CNS(=O)(=O)N2CCC(OC)CC2)C1 824413177 SHCWOUKTPQOVKT-AWEZNQCLSA-N 349.497 0.290 0 50 ECAA CCOC1(C(=O)N2CC(N3C[C@H](C(=O)NC)CC3=O)C2)CCCC1 685942228 MJOUAPCRDISTAA-GFCCVEGCSA-N 337.420 0.141 0 50 ECAA CN1CC[C@@H](NCCS(=O)(=O)N2CCOCC2)C12CCCC2 1875285225 HGUMLZLBMLPTGX-CQSZACIVSA-N 331.482 0.255 0 50 ECAA CO[C@@H]1C[C@H](CNC(=O)CCc2ccnn2C)N(c2ccncn2)C1 952887047 JNMDIWWUQRUBQZ-HUUCEWRRSA-N 344.419 0.553 0 50 ECAA CNC(=O)[C@]12CCOC[C@H]1CN(C(=O)CCCc1ncc(C)o1)C2 952850699 OHTPOUPNVHLJRR-DYVFJYSZSA-N 335.404 0.917 0 50 ECAA CNC(=O)[C@]12CCOC[C@H]1CN(C(=O)c1c[nH]c3nccc-3c1)C2 952848273 JDSHQRYDTGJELI-DYVFJYSZSA-N 328.372 0.739 0 50 ECAA COC(=O)/C=C/C(=O)N1CC[C@@H](C(=O)N(C)C)[C@H](c2ccnn2C)C1 1875379345 QUAWQIPLIHOMSY-FBVTZJDUSA-N 348.403 0.170 0 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CCc1ncsc1C(=O)NS(=O)(=O)c1ccc(C(N)=O)cc1 1875264840 AXVKSNPKXUADTE-UHFFFAOYSA-N 339.398 0.923 0 50 ECAA CC(C)CN1C[C@@H](C(=O)Nc2ccc(S(C)(=O)=O)nn2)CC1=O 952881930 FJVKSMYTRIKWAV-JTQLQIEISA-N 340.405 0.323 0 50 ECAA Cc1cc(C(=O)N2CC(N3CCO[C@H](c4nc(C)no4)C3)C2)ccn1 952849631 YSLHERROTJFIIZ-HNNXBMFYSA-N 343.387 0.979 0 50 ECAA O=C([C@@H]1CCNc2ccccc2C1)N1CCO[C@@H](c2nn[nH]n2)C1 1875322618 YSPGJEJSPGSEMV-TZMCWYRMSA-N 328.376 0.774 0 50 ECAA NC(=O)c1[nH]c2ccc(S(N)(=O)=O)cc2c1CCCC(=O)O 1775971066 NFLNXIKKVHFDCC-UHFFFAOYSA-N 325.346 0.322 0 50 ECAA Cc1ccc(S(=O)(=O)N[C@@H](CO)C(=O)N2CCC[C@H](C)C2)cc1 1775999132 QKBHPLWCBZEQGT-ZFWWWQNUSA-N 340.445 0.893 0 50 ECAA C[C@H](NC[C@@H]1OCCN(C)[C@H]1c1ccnn1C)C(C)(C)n1cncn1 1775959504 CPVYBEGZMOERFV-BPUTZDHNSA-N 347.467 0.797 0 50 ECAA O=C(N[C@H]1CCN(Cc2cscn2)C[C@@H]1O)C1CCOCC1 1090008590 DVZQVSRHSRYPHC-KBPBESRZSA-N 325.434 0.621 0 50 ECAA COc1ccc(Cl)cc1CNS(=O)(=O)N1CCN(C)CC1 1474899244 PBDYHVLLLAVGAY-UHFFFAOYSA-N 333.841 0.930 0 50 ECAA O=C(c1cc(O)nc(C2CC2)n1)N1CC[C@H]2CC[C@@H](C1)S2(=O)=O 1363551924 XVCWOAYDQLBNQK-MNOVXSKESA-N 337.401 0.851 0 50 ECAA CCc1nnsc1C(=O)N[C@H]1CCCN(c2nccnc2O)C1 275466397 AFMXMWKYPVMKBW-VIFPVBQESA-N 334.405 0.995 0 50 ECAA Cc1cc(C(=O)N2CC[C@@](O)(Cn3ccnn3)C2)c2n[nH]cc2c1 671606366 BQOPVXSUQNOVBZ-INIZCTEOSA-N 326.360 0.740 0 50 ECAA COCCN1CCCN([C@H]2CCN(CC(F)(F)F)C2=O)CC1=O 190758259 GWMGQLCBEIHMKR-NSHDSACASA-N 337.342 0.330 0 50 ECAA CNC(=O)C[C@]1(O)CCCN(C(=O)Cc2c[nH]c3ncccc23)C1 644040156 XFXCZTSEUYIZBX-QGZVFWFLSA-N 330.388 0.595 0 50 ECAA O=C(Nc1cccnc1-n1cncn1)N1C[C@@H]2COC[C@]2(C(=O)O)C1 656602073 FYILWUZSSQSUMX-MEBBXXQBSA-N 344.331 0.227 0 50 ECAA O=C(NCC(=O)N1CC[C@@H]2NCCC[C@@]2(CO)C1)c1ccccc1 215179539 BBWPPCVECSTIJE-YJBOKZPZSA-N 331.416 0.379 0 50 ECAA O=C1CCCCN1CCCC(=O)N1C[C@H](Cc2cnccn2)[C@@H](O)C1 1615738383 OWOYYGKSWLAABT-HOCLYGCPSA-N 346.431 0.631 0 50 ECAA CN(C)S(=O)(=O)C[C@H]1CN(C(=O)c2cccn2C2CC2)C[C@@H]1O 1616069633 PANWEUBPJGZGAX-RISCZKNCSA-N 341.433 0.147 0 50 ECAA CCN(CC)[C@H]1CCN(c2nc3nonc3nc2N2CCOCC2)C1 11844629 SAEOFZBHXPZPJE-LBPRGKRZSA-N 347.423 0.770 0 50 ECAA NC(=O)c1cccnc1N1C[C@@H](O)[C@]2(C1)[C@H](c1ccccc1)[C@H]2CO 1857724063 KOQBITJMTWUICE-YKTARERQSA-N 339.395 0.754 0 50 ECAA Cc1cc(C[C@@H]2CN(C(=O)CCn3ccccc3=O)C[C@@H]2O)on1 1875251142 XWAVZUOWPPGKOG-HIFRSBDPSA-N 331.372 0.597 0 50 ECAA Cc1noc2ncc(S(=O)(=O)N[C@H]3CCCn4ncnc43)cc12 328614888 XDUCWMFMMYLGBJ-NSHDSACASA-N 334.361 0.936 0 50 ECAA Cc1nc(C(C)C)sc1C(=O)N1CCN[C@@H]2CS(=O)(=O)C[C@@H]21 248023683 JRDCURYVQSFILP-MNOVXSKESA-N 343.474 0.786 0 50 ECAA COCCN1CCCN(Cc2ncnn2-c2ccccc2)CC1=O 253396539 ISWOIOPZZHTAPG-UHFFFAOYSA-N 329.404 0.948 0 50 ECAA C[C@@H](CNS(=O)(=O)c1ccc(O)c(C(=O)O)c1)Cn1cccn1 917903204 SHLBOTHPMBZJNA-JTQLQIEISA-N 339.373 0.902 0 50 ECAA CC(C)(c1nnn(C[C@H]2COc3ccccc3O2)n1)S(C)(=O)=O 901743582 WZNKHBMDMWXNLJ-JTQLQIEISA-N 338.389 0.793 0 50 ECAA CC(=O)N1CCO[C@@H](C(=O)N2CCC(c3nc(C)c(C)[nH]3)CC2)C1 829681702 HMWNCXIFUDAYBR-OAHLLOKOSA-N 334.420 0.980 0 50 ECAA Cc1nccn1CCCNC(=O)c1cnc(N2CCCNCC2)cn1 2325777650 RWCXUXHMDNYEEV-UHFFFAOYSA-N 343.435 0.601 0 50 ECAA CCOC(=O)c1nnn(-c2nonc2N)c1CN1CCCC[C@@H]1C 51374 ZHNXTKAGKUPFNL-VIFPVBQESA-N 335.368 0.784 0 50 ECAA Cc1ccc(C(=O)N2C[C@H]3COC[C@@]3(CO)C2)cc1N1CCNC1=O 2356142088 CZAKNHWDWRGQHV-KSSFIOAISA-N 345.399 0.606 0 50 ECAA O=C(CC[C@@H]1NC(=O)NC1=O)NC1CCN(c2ccc(F)cc2)CC1 53259971 RLFGCOHSPZASBJ-AWEZNQCLSA-N 348.378 0.899 0 50 ECAA Cn1c(=O)c2[nH]c(CN3CCc4ccccc4C3)nc2n(C)c1=O 20026531 IGYIKSLOXVQOIH-UHFFFAOYSA-N 325.372 0.519 0 50 ECAA COc1ccc(OC)c(N([C@@H](C)C(=O)N(C)C)S(C)(=O)=O)c1 65364946 XTOINFBCTXHQMN-JTQLQIEISA-N 330.406 0.947 0 50 ECAA O=C(NCc1cn2c(n1)SCC2)c1cn(C[C@H]2CCCNC2)nn1 65372564 IILUPISXGNAXDL-NSHDSACASA-N 347.448 0.510 0 50 ECAA C[C@H](CN1CCc2ccccc2C1)NCCN(C)S(C)(=O)=O 67540382 DLOJGQYETFAJCK-CQSZACIVSA-N 325.478 0.914 0 50 ECAA CN1C(=O)CC[C@H](C(=O)Nc2ccc(N)nc2)[C@@H]1c1cnn(C)c1 151706114 WSQWGIGLAPAAEV-WFASDCNBSA-N 328.376 0.946 0 50 ECAA CC(=O)N1CCN([C@@H]2CN(Cc3nnc(C4CC4)o3)C[C@@H]2C)CC1 229828687 DLVZTEJKQGKKFO-SWLSCSKDSA-N 333.436 0.931 0 50 ECAA CNC(=O)C[C@@H]1C(=O)NCCN1C(=O)CCc1ccccc1Cl 219285703 BQEQBTBZQWWULJ-CYBMUJFWSA-N 337.807 0.736 0 50 ECAA CCN1CCN(C(=O)NC2CCN(S(=O)(=O)CC)CC2)CC1 122765066 SLMFCHUSBMQZON-UHFFFAOYSA-N 332.470 0.148 0 50 ECAA Cn1ccc(C(=O)N2CCN(S(=O)(=O)c3cccnc3)CC2)c1 331046675 IJLDXXBLPNJXHX-UHFFFAOYSA-N 334.401 0.567 0 50 ECAA Cc1n[nH]c(C)c1CC(=O)N[C@@H]1CCCN(c2ccn(C)n2)C1=O 371853096 MAVVXSIWNDKMKE-CYBMUJFWSA-N 330.392 0.614 0 50 ECAA O=C(N[C@@H]1CCN(C(=O)C2CCOCC2)C[C@H]1O)c1ccccn1 77340548 YTHJEIXTMOXQDU-UKRRQHHQSA-N 333.388 0.200 0 50 ECAA Cn1ncc(N2CCO[C@H](CCNC(=O)C3CCCC3)C2)cc1=O 72134366 CCZJMWLVKXWDFX-OAHLLOKOSA-N 334.420 0.682 0 50 ECAA O[C@H](CN1CCN(c2ccccc2)CC1)CN1CCN2CCC[C@H]2C1 241588229 PBACCJZHGPFLSN-VQTJNVASSA-N 344.503 0.950 0 50 ECAA CC(C)(C)C(=O)Nc1nccnc1C(=O)NC[C@@H]1CNCCCO1 449706386 ARXOZQFKIHGLQW-NSHDSACASA-N 335.408 0.570 0 50 ECAA O=C(NCCc1nc(=O)o[nH]1)[C@H]1CCCN(C(=O)c2ccccc2)C1 242087954 WAPLYGDCBSUYGQ-ZDUSSCGKSA-N 344.371 0.574 0 50 ECAA COCCc1noc([C@@H](C)NS(=O)(=O)NCc2ccccc2)n1 71750807 NJNZMRJMXIEOOM-LLVKDONJSA-N 340.405 0.944 0 50 ECAA CN1CC[C@@H]2OCCN(C(=O)c3c[nH]nc3-c3cnn(C)c3)[C@@H]2C1 284903627 HIZURFVXFNORIR-KGLIPLIRSA-N 330.392 0.355 0 50 ECAA Cc1ccnn1CC(=O)N1CCCn2nc([C@@H](O)CN(C)C)cc2C1 223362352 ARTVESNWQUAWGY-INIZCTEOSA-N 346.435 0.416 0 50 ECAA Cc1nonc1OCCNC(=O)[C@@H](c1ccc2c(c1)OCO2)N(C)C 426438840 KUSDWQQXVMQTOA-CQSZACIVSA-N 348.359 0.905 0 50 ECAA Cc1cccnc1CNC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 264221960 WDOQPMZLXPNVQC-OAHLLOKOSA-N 346.431 0.187 0 50 ECAA O=C(C[C@@H]1C=CS(=O)(=O)C1)NCCc1nc(-c2cccnc2)n[nH]1 220454178 LCXSZMQLYWBLOY-NSHDSACASA-N 347.400 0.474 0 50 ECAA Cn1cc([C@@H](NC(=O)c2ccc3nnnn3c2)[C@H]2C[C@@H](O)C2)cn1 223180504 MPCMGIXPSZSSLO-JKOKRWQUSA-N 327.348 0.100 0 50 ECAA OCCN1CCN(c2nc3nonc3nc2NC2CCCC2)CC1 20326913 FYZISQWLZQDXAU-UHFFFAOYSA-N 333.396 0.482 0 50 ECAA CC(C)CN1C(=O)C(=O)N([C@H]2CCN(CC(F)(F)F)C2=O)C1=O 265401396 UAGDCPAYRKHZSR-QMMMGPOBSA-N 335.282 0.596 0 50 ECAA CN(Cc1cnc2ccccc2n1)C(=O)C[C@H]1C(=O)N(C)C(=O)N1C 91907476 CCMISDINDUUZMN-AWEZNQCLSA-N 341.371 0.871 0 50 ECAA Cc1[nH]ccc1C(=O)N1C[C@H]2CN(C3CCOCC3)C[C@@]2(C(=O)O)C1 91725578 XERZIURWLSEOSG-FZKQIMNGSA-N 347.415 0.961 0 50 ECAA CCc1c(C)nn(CCNC(=O)C[C@H]2C(=O)N(C)C(=O)N2C)c1C 91708074 IOSUOBLBJBONCK-ZDUSSCGKSA-N 335.408 0.461 0 50 ECAA CC(=O)N1CC2(CCN(Cc3nnc(C)n3C)CC2)C[C@H]1C(=O)O 91877135 HMXMCOPVNDJDLA-ZDUSSCGKSA-N 335.408 0.411 0 50 ECAA CCN1CCN(CCCNC(=O)c2cnc3ccccn3c2=O)CC1 147631643 GYVFCWBVRGGUOH-UHFFFAOYSA-N 343.431 0.452 0 50 ECAA O=C(Cn1ccc(=O)cc1)N1C[C@H]2CC[C@@H]1CN(c1ncccn1)C2 91505536 WKSNVGHVKIVVBF-LSDHHAIUSA-N 339.399 0.766 0 50 ECAA CCCc1nnc(N2CCCN(S(=O)(=O)N3CCCC3)CC2)o1 95366311 YLQQAAFHYNLGHB-UHFFFAOYSA-N 343.453 0.875 0 50 ECAA CC(C)[C@H](CO)NC(=O)CCn1ccc2c(cnc3ccnn32)c1=O 230215577 VFPORNLVDMLAOV-ZDUSSCGKSA-N 343.387 0.567 0 50 ECAA CC(C)(OCC(F)(F)F)C(=O)N=c1nc[nH]n1-c1ncccn1 1875303095 VTALDXRKOFALPB-UHFFFAOYSA-N 330.270 0.775 0 50 ECAA O=C(CCc1ccco1)N1CC2(C1)CN(C(=O)c1coc(O)n1)C2 1875332336 PDLPDJRIZFPNPH-UHFFFAOYSA-N 331.328 0.890 0 50 ECAA Cc1ncnc2c1C[C@H](C(=O)O[C@@H]1CNC(=O)[C@@]3(CCOC3)C1)CC2 1875359872 RVPHCJFRPYZLTO-VBHSOAQHSA-N 345.399 0.728 0 50 ECAA CO[C@@H]1CCN(Cc2cn(C)nc2C(=O)NCCc2cc(C)no2)C1 952888670 VFVDQSARMPCZSH-OAHLLOKOSA-N 347.419 0.910 0 50 ECAA Cc1cc(CC(=O)N[C@H]2CCOC[C@H]2Nc2ccnc(C)n2)n(C)n1 952888243 OEECLDBSPDBHML-LSDHHAIUSA-N 344.419 0.755 0 50 ECAA O=C(O)CCNC(=O)CCCCCNC(=O)N1C[C@@H]2C[C@@H](O)[C@H]1C2 1875298510 CWACOPRJSVQVCI-YNEHKIRRSA-N 341.408 0.302 0 50 ECAA Cc1cc(=O)cc(C(=O)N2CCC(CNC(=O)[C@@H]3CCOC3)CC2)o1 952968007 DVYAGBBDDSPAOM-CQSZACIVSA-N 348.399 0.953 0 50 ECAA O=C1OCCN1CC(=O)N1CCc2nc[nH]c2[C@H]1c1cccnc1 952966107 DEDZTSOMXGYJAG-OAHLLOKOSA-N 327.344 0.731 0 50 ECAA O=C(c1cccc2c[nH]nc12)N1CCN([C@]2(C(=O)O)CCOC2)CC1 886096603 FVVJRBXDQQHIHK-QGZVFWFLSA-N 344.371 0.564 0 50 ECAA N[C@@H](Cc1cc[nH]n1)C(=O)NCC1(CN2CCOCC2)CCCCC1 888097034 ZFXZXSQDGGNAOL-INIZCTEOSA-N 349.479 0.678 0 50 ECAA C[C@@H](C(=O)N1CCOCC1)N1CCN(c2ncccc2C(=O)O)CC1 1776002633 HAWOMXUZUWVPBX-ZDUSSCGKSA-N 348.403 0.149 0 50 ECAA Cc1cc(CC(=O)N[C@H]2CCN(Cc3cccnc3)C[C@@H]2O)on1 1565509385 WMUYOXIDVIBNKB-HOTGVXAUSA-N 330.388 0.672 0 50 ECAA COC[C@@H](NC(=O)N1CCN(c2ccnc(C)n2)CC1)[C@@H]1CCCO1 279802475 WVRSYMFDTYLPHN-CABCVRRESA-N 349.435 0.811 0 50 ECAA CNC(=O)C[C@@]1(O)CCCN(S(=O)(=O)c2cccc(F)c2F)C1 643695578 SYEUWDYUFUZONO-AWEZNQCLSA-N 348.371 0.617 0 50 ECAA O=C(NCc1ncc[nH]1)[C@H]1OCC(=O)N(C2CC2)[C@@H]1c1cccnc1 1529142745 SKNZZIGCFKSDSQ-CVEARBPZSA-N 341.371 0.552 0 50 ECAA Cc1cc(C(=O)N[C@]2(C)CCOC3(CCNCC3)[C@H]2O)nc(C)n1 1704338747 YRKFNGWWLCKHAX-JKSUJKDBSA-N 334.420 0.485 0 50 ECAA C[C@H]1CN(c2cccc(O)c2)c2nc3c(c(=O)[nH]c(=O)n3C)n2C1 12422040 NCDPDLNIJZQNOF-VIFPVBQESA-N 327.344 0.917 0 50 ECAA biogenic Cc1ncc(CNC(=O)[C@@H]2[C@H]3CC[C@@]2(c2ccnn2C)C3)c(=N)[nH]1 1857528171 MLXVRHYZAAKFDH-YLVFBTJISA-N 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CN1CCC(CCC(=O)NCc2nc(-c3cnccn3)n[nH]2)CC1 426662120 NXGAWSSCDKKHRT-UHFFFAOYSA-N 329.408 1.000 0 50 ECAA COc1ccc(CNC(=O)[C@@H]2[C@H]3C=C[C@@H](O3)[C@@H]2C(=O)O)cc1OC 225790557 DHHWEPGTFPRICA-GBOPCIDUSA-N 333.340 0.974 0 50 ECAA CCc1nc(C)c(CC(=O)N2CC[C@]3(CCCN(C)C3=O)C2)c(=O)[nH]1 91943321 HPCQFYLKIHIKQS-GOSISDBHSA-N 346.431 0.654 0 50 ECAA O=C(CC[C@H]1NC(=O)NC1=O)NCc1cccc(N2CCCC2)c1 91535886 JXVPDNBNEPEZDF-CQSZACIVSA-N 330.388 0.891 0 50 ECAA Cc1ccc(F)c(NC(=O)CN2C[C@H](O)[C@@H](N3CCOCC3)C2)c1 252494865 OGVJXMWNOVTSGD-HOTGVXAUSA-N 337.395 0.450 0 50 ECAA COC(=O)CNC(=O)C[C@H]1N=C(O)N(c2ccc(OC)cc2)C1=O 252495212 ONRLWXTXQMYMTO-LLVKDONJSA-N 335.316 0.004 0 50 ECAA C[C@@]1(C(=O)O)CCN(C(=O)[C@H](Cc2ccccc2)S(C)(=O)=O)C1 299745770 SHAWSLMCGZZZSW-XJKSGUPXSA-N 339.413 0.966 0 50 ECAA CC(C)n1nc(C(=O)N2CCO[C@@H](C(=O)O)C2)c2ccccc2c1=O 299752540 UNAUXNPCXMLRNY-CYBMUJFWSA-N 345.355 0.903 0 50 ECAA O=S(=O)(N[C@H]1C[C@H](c2cc(N3CC[C@@H](O)C3)ncn2)C1)C1CC1 252540318 PCSDAYYOBRFTBL-IJLUTSLNSA-N 338.433 0.375 0 50 ECAA CC1(C)SC[C@@H](C(=O)NCCCc2nnc3ccccn23)NC1=O 299800594 WZHZBFLHAOSWKR-NSHDSACASA-N 347.444 0.788 0 50 ECAA CNS(=O)(=O)c1cc(C(=O)N2CCC[C@@H]2C(=O)O)ccc1F 269083928 JUXPYBWQYODGPF-SNVBAGLBSA-N 330.337 0.423 0 50 ECAA C[C@]1(c2ccc(C(=O)N3CCCC[C@@H]3CN)cc2)NC(=O)NC1=O 269169230 DXRJSFULIWEGKN-CXAGYDPISA-N 330.388 0.695 0 50 ECAA CC1CN(C(=O)c2ccc3c(c2)CN([C@@H]2CCC(=O)NC2=O)C3=O)C1 1875293366 NOTFLUOTKAZBOS-CQSZACIVSA-N 341.367 0.540 0 50 ECAA Nn1c(SC[C@@H]2CCS(=O)(=O)N2)nnc1-c1ccccc1F 1875279087 YCKRFZHUSCJTQA-QMMMGPOBSA-N 343.409 0.582 0 50 ECAA O=C(COc1ccc(F)cc1)N1CCCN(C(=O)c2cnn[nH]2)CC1 941029551 FLCWRFKPAVPHHT-UHFFFAOYSA-N 347.350 0.697 0 50 ECAA Cn1cc(CN2CC[C@H](N)C2)c(C(=O)NCc2cccc(CN)c2)n1 1875345253 XNLWHMSPQLLBDZ-INIZCTEOSA-N 342.447 0.342 0 50 ECAA Cc1nc(N2CCN([C@H](C)C(=O)NC(=O)NCC(C)C)CC2)n[nH]1 874435202 MRTPKXPQNKEGBB-LLVKDONJSA-N 337.428 0.105 0 50 ECAA CC[C@H]1CN(c2nnnn2CCCN2CCOC2=O)C[C@H](CC)O1 952878774 ITRHBJHLLGUASE-STQMWFEESA-N 338.412 0.909 0 50 ECAA COC[C@H](NC(=O)[C@H]1C[C@@H]1c1ccc2c(c1)OCCO2)c1nn[nH]n1 952883922 ZLLWIMISDMFOSF-WOPDTQHZSA-N 345.359 0.578 0 50 ECAA CCc1cc(NC[C@H]2C[C@H](c3nn(C)c(=O)n3C)C[C@H]2O)ncn1 952849782 PZTBOEADTYCUQU-DMDPSCGWSA-N 332.408 0.438 0 50 ECAA C[C@@H](NC(=O)/C=C/c1cc(CO)cs1)c1n[nH]c(CC(=O)O)n1 952991182 ZKEVWJYKVWPANJ-UFUPEUMYSA-N 336.373 0.876 0 50 ECAA COc1ccc(OCC(=O)N2C[C@H]3CS(=O)(=O)C[C@H]3C2)cc1 887919424 CIPOLZVCZNQEAR-TXEJJXNPSA-N 325.386 0.577 0 50 ECAA Cc1nc(CN2C[C@@H](NC(=O)Cc3ccc(O)nc3)C(C)(C)C2)n[nH]1 974847524 YISSZMIHMHEKHR-CYBMUJFWSA-N 344.419 0.783 0 50 ECAA Cn1ccnc1C(=O)N[C@H]1COCC[C@@H]1Oc1ccc(CO)cc1 1565526991 GLQCBQOLLIFCAL-GJZGRUSLSA-N 331.372 0.879 0 50 ECAA O=C(N[C@@H]1c2ccccc2C[C@@H]1O)[C@@H]1COCCN1CC(F)F 185872667 WDIIZOWJSIOTBL-KCQAQPDRSA-N 326.343 0.727 0 50 ECAA COc1ccc(CNC(=O)[C@@H]2Cn3c(C)nnc3CN2C)c(OC)n1 644470074 WTMRDIWULFJQKQ-LBPRGKRZSA-N 346.391 0.129 0 50 ECAA CSc1ncc(C(=O)N2C[C@@H](O)[C@H](Cc3cnccn3)C2)cn1 1704302118 DDGQHZJXYKTXJD-ZWNOBZJWSA-N 331.401 0.664 0 50 ECAA CN1C[C@]2(CCN(C(=O)c3cc(N4CCOCC4)no3)C2)OC1=O 1772819877 WLWMQASPKQRBSA-HNNXBMFYSA-N 336.348 0.178 0 50 ECAA NCCCC[C@@H]1NC(=O)[C@H]2CN(Cc3cccc(F)c3)CCN2C1=O 14543448 CHFANTWIGCSYCB-JKSUJKDBSA-N 348.422 0.466 0 50 ECAA COc1cc(NC(=O)CCN2CCN(CCO)CC2)cc(OC)c1 19841475 WJXXLQYTSJZGOL-UHFFFAOYSA-N 337.420 0.642 0 50 ECAA COc1cc2nc(N3C[C@@H]4CC(=O)N[C@@H]4C3)[nH]c(=N)c2cc1OC 1857699165 QAIVRHHCUAKQBL-GZMMTYOYSA-N 329.360 0.384 0 50 ECAA COC(=O)c1ccc(S(=O)(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)o1 252677463 YVISIMGZNPTCBQ-MWLCHTKSSA-N 328.390 0.827 0 50 ECAA Cn1c(=O)c2c(ncn2CC(=O)Nc2cc(Cl)ccn2)n(C)c1=O 114325594 LMDPWBLREASAOW-UHFFFAOYSA-N 348.750 0.121 0 50 ECAA C[C@H](O)C(=O)N1CCN(C(=O)c2cn(Cc3cccs3)nn2)CC1 123869222 YTYFWPHXLHDFOM-NSHDSACASA-N 349.416 0.053 0 50 ECAA C[C@H](C(=O)N(C)CCN1CCCC1=O)n1cnc2c(N)ncnc21 668659374 NCRXGKVUDKNSMW-SNVBAGLBSA-N 331.380 0.050 0 50 ECAA CCc1cc(S(=O)(=O)N2CC[C@H](C(=O)O)[C@H](O)C2)ccc1OC 1704325434 LMYWOPPDQARAEW-QWHCGFSZSA-N 343.401 0.714 0 50 ECAA Cc1cc2nc(N3CC4(C[C@@H](O)CNC4=O)C3)c3ccccc3n2n1 1262706208 GJCMRLPLKABYSK-GFCCVEGCSA-N 337.383 0.878 0 50 ECAA COCCOCCNC(=O)[C@]1(O)CCCN(C(=O)OC(C)(C)C)C1 408523878 VVNGXRCNJHARFZ-INIZCTEOSA-N 346.424 0.528 0 50 ECAA O=C(N[C@H]1CCNC[C@H]1CO)c1nn(-c2ccc(F)cc2)cc1O 2325789351 LBYRKYZVIGSFHF-GWCFXTLKSA-N 334.351 0.417 0 50 ECAA O=C1NC[C@H]2CN(C(=O)CCc3nc(-c4ccncc4)no3)C[C@@H]12 2356145625 FYULHXBRVUPHLZ-NWDGAFQWSA-N 327.344 0.269 0 50 ECAA Cn1ncc2ncc(C(=O)NCCCN3CCC[C@H](C(N)=O)C3)cc21 2356162024 UHRRYEDTMPISRU-LBPRGKRZSA-N 344.419 0.286 0 50 ECAA CC(C)(CO)CCCNC(=O)N[C@H]1CCCC[C@H]1NS(C)(=O)=O 225682847 ADZSCUBISXWUMS-QWHCGFSZSA-N 349.497 0.945 0 50 ECAA CCn1c(C2CCNCC2)nn(Cc2noc([C@H]3CCCO3)n2)c1=O 65405916 MNWXUBPPABZMOV-GFCCVEGCSA-N 348.407 0.815 0 50 ECAA CCc1cc(N2Cc3cnn(CCO)c3C2)nc(N2CCOCC2)n1 67955815 RRKASDFOVJOUOE-UHFFFAOYSA-N 344.419 0.585 0 50 ECAA COC(=O)CCNC(=O)C[C@H]1NC(=O)N(c2ccc(OC)cc2)C1=O 409413942 GWRVEIAOVBRCKB-GFCCVEGCSA-N 349.343 0.189 0 50 ECAA CCCS(=O)(=O)[C@H](C)C(=O)N1C[C@H](CC)[C@@H](N2CCOCC2)C1 229828223 UUNTVBJXQDZUJF-ILXRZTDVSA-N 346.493 0.769 0 50 ECAA CCOc1ccc(S(=O)(=O)NC2COCCOC2)cc1C(=O)O 324541596 ZQDUIKZYJYFXMP-UHFFFAOYSA-N 345.373 0.477 0 50 ECAA Cc1cc(F)c(C(=O)N2C[C@@H](O)[C@H](N(C)CC(=O)O)C2)cc1F 328603762 HDRXMZMRBYPWBX-CHWSQXEVSA-N 328.315 0.475 0 50 ECAA NCCn1cc(C(=O)N2CCN(Cc3cccc(F)c3)CC2)nn1 72430516 YVTLEBZKGZTFKJ-UHFFFAOYSA-N 332.383 0.334 0 50 ECAA COC[C@H](NC(=O)C1=C(C)N(C)c2nnnn2C1)c1ccc(C)o1 253418170 HOXGEEFSHLZSPH-LBPRGKRZSA-N 332.364 0.802 0 50 ECAA CNS(=O)(=O)c1ccccc1N1CCN(C(=O)c2cn[nH]c2)CC1 332416343 MPSWNQBEZPGGMI-UHFFFAOYSA-N 349.416 0.280 0 50 ECAA O=C(Nc1ccc(C(F)(F)F)nn1)N1CCOC[C@@H]1c1nc[nH]n1 329067711 XEMHGBFJOIPOTO-SSDOTTSWSA-N 343.269 1.219 0 50 ECAA NCCN1C(=O)CC[C@H]2CN(C(=O)c3ccc4[nH]nnc4c3)CC[C@H]21 72474280 QHKYUKGCGMTYFF-SWLSCSKDSA-N 342.403 0.370 0 50 ECAA CN1CC[C@@H](N2CCC(NC(=O)c3ocnc3C3CC3)CC2)C1=O 333518250 VNKKVUFSTUITOA-CYBMUJFWSA-N 332.404 0.977 0 50 ECAA CC(=O)N1CCc2ccc(S(=O)(=O)NC[C@@H]3C[C@H](F)CN3)cc21 370731665 YXXDUENGDFPRDC-STQMWFEESA-N 341.408 0.574 0 50 ECAA COc1cc(/C=C/C(=O)N2CCOC[C@H]2C(=O)O)cc2c1OCCO2 370732073 FVHRRGPRXKGKIO-JDGPPOGSSA-N 349.339 0.792 0 50 ECAA C[C@H](CCC(=O)N1CCN(Cc2nccn2C)CC1)N1CCOCC1 219750164 JDLXDQFMEHIROT-MRXNPFEDSA-N 349.479 0.565 0 50 ECAA Cc1c(C(=O)N[C@H](C)[C@H]2CCCO2)cnn1[C@H]1CCS(=O)(=O)C1 241126144 JJVJVNFLFHQCDN-SCDSUCTJSA-N 341.433 0.848 0 50 ECAA C[C@@H]1CN(C(=O)c2cccc(CN3C(=O)CNC3=O)c2)C[C@@H](C)N1 179161371 UWELTGMLORMMDR-VXGBXAGGSA-N 330.388 0.561 0 50 ECAA COc1ccc(CC(=O)N2CC[C@]3(CC(=O)NC3=O)C2)c(OC)c1 82115705 QYISJFPPPRVUHD-KRWDZBQOSA-N 332.356 0.512 0 50 ECAA CN(CC(=O)N1CCCC2(CCOCC2)C1)[C@@H]1CCS(=O)(=O)C1 330335950 ZGJDEQMQDFDJJL-CQSZACIVSA-N 344.477 0.525 0 50 ECAA Cc1nc(N2CCN(C)CC2)ncc1C(=O)N1C[C@H](C2CC2)[C@@H](N)C1 91624678 LZKUPIDSVSOOKB-CVEARBPZSA-N 344.463 0.346 0 50 ECAA CN(C)CCN1C[C@@H](C(=O)N2CCC(Cn3cccn3)CC2)CC1=O 95359682 MVXPBHFYIKMXAZ-INIZCTEOSA-N 347.463 0.532 0 50 ECAA CCN1CCN(CC(=O)N(C)[C@H](C)c2c(C)nn(C)c2C)C(=O)C1=O 95531791 PNQHUUIIRJXUGD-GFCCVEGCSA-N 349.435 0.247 0 50 ECAA COCC(=O)NCc1cc2n(n1)CCCN(Cc1nc(C)c[nH]1)C2 91966554 RPELCFVMRSHDBN-UHFFFAOYSA-N 332.408 0.583 0 50 ECAA CC(C)CN1C[C@H](C(=O)N2CCC(c3cc(=O)[nH]cn3)CC2)CC1=O 97610275 ULFGWAFBJCLNEA-CQSZACIVSA-N 346.431 0.980 0 50 ECAA CN(CC(=O)Nc1ccc(C(N)=O)cc1)CC1(CO)CCOCC1 244659487 HDLKBEVPMSWQFG-UHFFFAOYSA-N 335.404 0.445 0 50 ECAA CSCc1noc(CN2CCC[C@H]2C(=O)N2CCOCC2)n1 244574732 CQISJJCJYTWILM-NSHDSACASA-N 326.422 0.756 0 50 ECAA COc1cc(N[C@H]2C[C@@H](c3cc(O)nc(N(C)C)n3)C2)nc(N)n1 253535365 NCLJZJYIXRZEOV-DTORHVGOSA-N 331.380 0.987 0 50 ECAA CS(=O)(=O)N1CCC[C@@H](C(=O)NC2(C(=O)O)CCCCCC2)C1 299742483 JNQBWPBFRFCWMG-GFCCVEGCSA-N 346.449 0.952 0 50 ECAA Cn1ccnc1CCNC(=O)C1CCN(C(=O)[C@@H]2CCCO2)CC1 299781932 FGHWQZIQCMQRIG-AWEZNQCLSA-N 334.420 0.496 0 50 ECAA Cc1n[nH]nc1C(=O)N[C@@H]1CCN(Cc2c(C)noc2C)C[C@H]1O 299781100 HKBQXMQZKJJEQK-CHWSQXEVSA-N 334.380 0.083 0 50 ECAA 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335.404 0.357 0 50 ECAA CS[C@@H](C)C(=O)NCc1cc2n(n1)CCN(S(C)(=O)=O)C2 299800900 TXTLVSGTTJZHPV-VIFPVBQESA-N 332.451 0.026 0 50 ECAA CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1ccc(C)c(C(=O)O)c1 864108618 BXSYFTPLWZNMHK-ZDUSSCGKSA-N 347.371 0.160 0 50 ECAA CC(C)(C)CC(=O)NC[C@@H]1CN(CC(=O)NCC2CC2)CCO1 1378643117 YKKGTJDJDGEXEK-CQSZACIVSA-N 325.453 0.766 0 50 ECAA COC(=O)/C=C/CNC(=O)[C@]1(Cc2ccccc2)CCN(C)C1=O 1875333519 ZOFHAMNBCOTKNX-AHKGRUIUSA-N 330.384 0.923 0 50 ECAA Cc1cc(N2CC[C@H](NC(=O)[C@H]3[C@@H](C)[C@@H](C)[C@H]3C(=O)O)C2=O)n(C)n1 1875355074 ZESYMELNMDATFT-GGFUIZRSSA-N 348.403 0.553 0 50 ECAA CNC(=O)C(F)(F)C1(O)CCN(C(=O)N=c2cc[nH]c(C)c2)CC1 1875289464 UOXFEJPNBYWCSX-UHFFFAOYSA-N 342.346 0.552 0 50 ECAA CO[C@H]1COC[C@H]1S(=O)(=O)NCc1noc(-c2ccco2)n1 952876094 QLDNHIOJIHGOOH-VHSXEESVSA-N 329.334 0.163 0 50 ECAA O=C(c1ccc2nn[nH]c2c1)N1CCCN(C(=O)[C@@H]2CCOC2)CC1 940470033 DHSSNKXMDZHWAB-CYBMUJFWSA-N 343.387 0.669 0 50 ECAA C[C@H](Cc1ccc(N(C)C)cc1)NC(=O)[C@H]1CCCN(CC(N)=O)C1 952981799 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CN1CC[C@@H](C(=O)NCCc2ccc(C(=O)O)cc2)S1(=O)=O 649239879 NXRPBQYANFAWRF-LBPRGKRZSA-N 326.374 0.077 0 50 ECAA Cc1nc(CN2CC[C@](Cc3ccccc3)(C(=O)O)[C@@H](O)C2)n[nH]1 1704327329 CLDQTTSNSULEMF-WMLDXEAASA-N 330.388 0.993 0 50 ECAA Cc1cc(C)nc(-n2[nH]c(C(=O)Nc3cn(C)nc3C)cc2=O)n1 1453126596 VJLJRNSDVDETFA-UHFFFAOYSA-N 327.348 0.867 0 50 ECAA CS(=O)(=O)N(CC(=O)NC[C@@H]1CCCO1)c1cccc(F)c1 479686 VHIQQZAACADHKC-ZDUSSCGKSA-N 330.381 0.887 0 50 ECAA O=C1CC[C@H](C(=O)N2CCc3nc(Cc4ccccc4)nn3CC2)N1 2356166640 GWQAPKRQDFYRDJ-CQSZACIVSA-N 339.399 0.532 0 50 ECAA CSc1nc2[nH]c(CSc3nnc(N)s3)cc(=O)n2n1 100071827 XZNIXGCJXKVNLV-UHFFFAOYSA-N 327.420 0.866 0 50 ECAA Cc1cccc(N2CCC(NC(=O)[C@H](C)S(C)(=O)=O)CC2)n1 116666882 UCDFTMCTAKPSSG-LBPRGKRZSA-N 325.434 0.908 0 50 ECAA Cc1c(CN(C)C(=O)[C@@H](c2ccccc2)n2cnnn2)cnn1C 67654732 FFIIBXWUMJRTDR-OAHLLOKOSA-N 325.376 0.963 0 50 ECAA O=C(NCCN1CCOCC1)c1ccc(CN2CCOCC2)cc1 20567862 LDDUHOSWNUQJSE-UHFFFAOYSA-N 333.432 0.581 0 50 ECAA O=C1O[C@@H]2CN(Cc3ccccn3)C[C@@H]2N1CCCN1CCOCC1 67650027 QKQXLYGEPJSKNI-DLBZAZTESA-N 346.431 0.809 0 50 ECAA CCc1nc(NC(=O)Cn2ncc(N3CCCC3)cc2=O)nn1C 20999362 IMANJGWZGQNTHT-UHFFFAOYSA-N 331.380 0.173 0 50 ECAA Cc1ccc(C2=NO[C@@H](CNC(=O)N3CCNC(=O)C3)C2)cc1C 252508745 XSISTHSAAVHNTM-CQSZACIVSA-N 330.388 0.938 0 50 ECAA CC[C@]1(O)CCCN(CCn2cc(CN3CCNC(=O)C3)c(C)n2)C1 65458099 YRHHUFAMUSWVRK-SFHVURJKSA-N 349.479 0.360 0 50 ECAA CCC(=O)OC[C@@H]1O[C@@H](n2ccc(=O)[nH]c2=O)C[C@@H]1OC(=O)CC 189161 ROIFSYCKAKDXOH-JBLDHEPKSA-N 340.332 0.099 0 50 ECAA biogenic CCNC(=O)N1CCN(Cc2ccncc2)[C@@H]2CS(=O)(=O)C[C@@H]21 72420257 HLXUCEGIDHCYGJ-KGLIPLIRSA-N 338.433 0.094 0 50 ECAA CC[C@@H]1CN(C(=O)[C@H]2CCc3nncn3C2)C[C@@H](C)S1(=O)=O 329157252 DBSBNFFSHFRCJG-GRYCIOLGSA-N 326.422 0.265 0 50 ECAA CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(C)CC2)N[C@H]1c1ccccc1 34065329 IPRYZUVUMQMFDV-GJZGRUSLSA-N 344.415 0.640 0 50 ECAA COCc1nc(N(C)CCN2CCCCC2=O)c2cnn(C)c2n1 72156798 CSKZDVGTVFBOMV-UHFFFAOYSA-N 332.408 0.958 0 50 ECAA CC(C)n1cnc(S(=O)(=O)N2CCN(c3cccnn3)CC2)c1 152522675 WWHUIQOUKBMPAB-UHFFFAOYSA-N 336.421 0.765 0 50 ECAA CCO[C@@H]1C[C@H](O)C12CCN(C(=O)CNC[C@@H]1CCCO1)CC2 236859943 RALKNPQUWXFWIC-SOUVJXGZSA-N 326.437 0.534 0 50 ECAA O=C(NC[C@H](O)CN1CCOCC1)[C@@H]1SCCc2sccc21 128089594 FXLPZCPNJBWVRE-SMDDNHRTSA-N 342.486 0.888 0 50 ECAA C[C@@H]1C[C@@H](CN)CN1C(=O)c1nc(S(C)(=O)=O)n2ccccc12 261923062 IUTGWIFZNYBABF-MNOVXSKESA-N 336.417 0.547 0 50 ECAA Cc1cc(N2CC[C@@H](N3CCN(Cc4ccon4)CC3)C2=O)n(C)n1 173934951 BWBOZOIJQFBGLL-OAHLLOKOSA-N 344.419 0.640 0 50 ECAA COCCOCCN1CCCC[C@H]1COC(=O)N1CCOCC1 375807964 RHFUYYBNWGVNJV-HNNXBMFYSA-N 330.425 0.973 0 50 ECAA CNC(=O)Cn1cc(NC(=O)CN2CCOc3ccccc3C2)cn1 77234089 UHIPTJQPWMHRNR-UHFFFAOYSA-N 343.387 0.462 0 50 ECAA CS(=O)(=O)NC1CCN(CCn2c(=O)oc3ccccc32)CC1 45736548 SSDZNXJEAUEGMM-UHFFFAOYSA-N 339.417 0.608 0 50 ECAA CN1C(=O)C[C@@H](NC(=O)c2nccn3ccnc23)[C@@H]1c1ccnn1C 285076968 CUNXAINTGYBYNT-QMTHXVAHSA-N 339.359 0.165 0 50 ECAA Cc1c[nH]c(C(=O)N2CCn3nc([C@H](O)CC(=O)N(C)C)cc3C2)n1 223538115 KPJJDXPREYEJGO-CYBMUJFWSA-N 346.391 0.082 0 50 ECAA Cc1cc(=O)cc(C(=O)N[C@H]2CCCN(c3cnccn3)C2)n1C 426574962 DQHQPMGOCGQQAT-ZDUSSCGKSA-N 327.388 0.883 0 50 ECAA Cc1nccc(N2CC[C@H](N3CCN(C)CC3)[C@H](CCCO)C2)n1 91350935 HCTGOGQNCUFTBN-SJORKVTESA-N 333.480 1.000 0 50 ECAA Cc1nc(CN2C[C@H]3CN(C(=O)C4CCC4)C[C@@]3(C(=O)O)C2)no1 96180789 SWNHUVJWQGEGIV-LRDDRELGSA-N 334.376 0.523 0 50 ECAA Cc1ccc2nc(CCCNC(=O)CN3C(=O)CNC3=O)[nH]c2c1C 92062093 BUACPDCECDAJRM-UHFFFAOYSA-N 343.387 0.780 0 50 ECAA Cc1nc2ccc(C(=O)NCCN(C)S(C)(=O)=O)cc2nc1C 95357428 ACGOICADFSUINV-UHFFFAOYSA-N 336.417 0.868 0 50 ECAA O=C([C@H]1CCCCn2nnnc21)N1CCN(c2ccncc2)CC1 97610182 NGZXVSXBSXSRKK-AWEZNQCLSA-N 327.392 0.684 0 50 ECAA CNC(=O)C[C@H]1C(=O)NCCN1Cc1cncn1Cc1ccccc1 244595067 DOBFGHXAOQMFMK-INIZCTEOSA-N 341.415 0.368 0 50 ECAA COC(=O)c1cnc(O)c([C@@H](CC(N)=O)c2cccc(O)c2)c1O 253623924 TUQVAGAIVPRBNV-JTQLQIEISA-N 332.312 0.992 0 50 ECAA biogenic N[C@H]1CCCN(C(=O)c2ccc3c(c2)S(=O)(=O)N(C2CC2)C3=O)C1 299740350 YTMPPZQXIISRID-NSHDSACASA-N 349.412 0.557 0 50 ECAA NC(=O)c1cc(CNC(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)on1 269966144 WLGWJTPPAYFEDW-CYZMBNFOSA-N 334.376 0.920 0 50 ECAA CC1(C)C[C@@H](S(C)(=O)=O)CN1c1nnnn1Cc1ccon1 1875408394 VEEIAKPAISLLRS-SNVBAGLBSA-N 326.382 0.111 0 50 ECAA COc1cccc(Cn2cccc(NS(=O)(=O)N(C)C)c2=O)n1 1875281177 TWYHLNAKWZWWPJ-UHFFFAOYSA-N 338.389 0.519 0 50 ECAA CC(C)=C(Br)C(=O)N1CCN(S(C)(=O)=O)CC1 1875276325 GHKJYZXVUQPZKL-UHFFFAOYSA-N 325.228 0.779 0 50 ECAA Cn1nccc1[C@H]1CCCN(S(=O)(=O)CCO[C@@H]2CCOC2)C1 952878538 AHQVNINPUNYFST-UONOGXRCSA-N 343.449 0.735 0 50 ECAA CCOC(=O)Cn1ccc(=NC(=O)N[C@H]2C[C@H]3C[C@H]2C[C@H]3OC)[nH]1 1875306585 LENJWGFTTOSKKH-QNWHQSFQSA-N 336.392 0.803 0 50 ECAA Cc1nccn1CC(=O)N1CCC(CNC(=O)[C@H]2CCOC2)CC1 948970538 WXLDJJGIXBJJOF-HNNXBMFYSA-N 334.420 0.583 0 50 ECAA CCS(=O)(=O)NCCn1cc([C@H](O)c2ccc(F)cc2)nn1 881287624 SGPPVQURZYEMSR-CYBMUJFWSA-N 328.369 0.438 0 50 ECAA O=C(O)CN1CCC(NC(=O)CCCN2CCCCC2=O)CC1 952963140 HVOPRFOVEUHNHL-UHFFFAOYSA-N 325.409 0.444 0 50 ECAA CN(C)c1nc(O)cc([C@H]2CCN(C(=O)CCc3ccn(C)n3)C2)n1 888095159 SHDGPHDQIPKFSR-LBPRGKRZSA-N 344.419 0.930 0 50 ECAA CC1(C)OC[C@H]([C@H](O)CNC(=O)c2ccc(OC(F)F)cn2)O1 1776000081 WDHFGLGPNIXYHN-GHMZBOCLSA-N 332.303 0.925 0 50 ECAA CN1C(=O)C[C@H](C(=O)NCCCN2CCNCC2)[C@H]1c1ccccc1 170047964 OFPPTOWXOHJZMC-FUHWJXTLSA-N 344.459 0.618 0 50 ECAA Cc1nn(C)c(C)c1[C@H](C)C(=O)N1CCN(c2nc(N)ns2)CC1 408260604 GSQHCRYMWKAFEB-VIFPVBQESA-N 349.464 0.923 0 50 ECAA Cc1cn2nc(N[C@@H]3CCN(C(=O)[C@@H]4CCCOC4)C3)ccc2n1 408514205 FVVZUXMOZKNUDD-ZIAGYGMSSA-N 329.404 1.477 0 50 ECAA Nc1ncc(/C=C/C(=O)N2CCOc3ccc(CO)cc3C2)cn1 1506421878 KLCOQWRDANFNRP-DUXPYHPUSA-N 326.356 0.986 0 50 ECAA Cc1ccsc1C(=O)N1C[C@@H](O)[C@H](CS(=O)(=O)N(C)C)C1 1529188833 DRODDSYSZOWHMN-WDEREUQCSA-N 332.447 0.381 0 50 ECAA CN1CCC[C@]2(CO)CCN(C(=O)Cn3nc4ccccc4n3)C[C@@H]12 1704336210 GXZOHVYOELVONQ-SJLPKXTDSA-N 343.431 0.737 0 50 ECAA Cc1cn(CC(=O)N[C@H]2COC[C@H]2Cc2ccncc2)c(=O)nc1O 1704344214 RKOHYKVYWCOZGX-KGLIPLIRSA-N 344.371 0.026 0 50 ECAA CN1C(=O)[C@H]2COC[C@@H]1CN(Cc1ccc(OCC(=O)O)cc1)C2 1704312286 OMQPGEHTBWMVNI-KGLIPLIRSA-N 334.372 0.439 0 50 ECAA CCN1C(=O)N(CC(N)=O)C(=O)C12CCN([C@@H](C)CSC)CC2 14755197 RWQPLDRZROFGGI-NSHDSACASA-N 342.465 0.342 0 50 ECAA COC(=O)c1c[nH]c(S(=O)(=O)CC(=O)N[C@H]2CCCC[C@@H]2C)n1 225742039 MLBRNXVEBBBOHI-UWVGGRQHSA-N 343.405 0.665 0 50 ECAA CN1CCN(CC(=O)N[C@H](c2ccccc2)[C@@H]2CCOC2)CC1=O 333335592 NTPAZTOCIIKUMM-CRAIPNDOSA-N 331.416 0.654 0 50 ECAA Oc1nc2cccc(N3CCN(C[C@H](O)CN4CCCC4)CC3)c2[nH]1 932515440 CBGQVMYQBCMXCS-CQSZACIVSA-N 345.447 0.847 0 50 ECAA CC(C)n1nnc(NC(=O)NC[C@H](C)N2C[C@H](C)O[C@H](C)C2)n1 933455156 NMJOZBAFYSCDJR-SDDRHHMPSA-N 325.417 0.873 0 50 ECAA COCCn1cnnc1CCNC(=O)c1ccc2ccn(C)c2n1 2100554993 JSCGDUMQDOUEDV-UHFFFAOYSA-N 328.376 0.784 0 50 ECAA C[C@@H]1NCCn2c(C(=O)NCCn3ccn4nccc4c3=O)ccc21 2325788224 TYCKMDOZSLLCKS-LBPRGKRZSA-N 340.387 0.392 0 50 ECAA CCCCCn1c(CN2CCOCC2)nc2c1c(=O)n(C)c(=O)n2C 20331251 HUERJOWWSDENQL-UHFFFAOYSA-N 349.435 0.456 0 50 ECAA CC(=O)O[C@@H]1[C@@H](OC(C)=O)O[C@@H](C)[C@@H](OC(C)=O)[C@H]1OC(C)=O 22066737 QZQMGQQOGJIDKJ-BUPNJJSDSA-N 332.305 0.089 0 50 ECAA O=C1CC[C@H](C(=O)N2CCCCO2)CN1CCN1CCOCC1 20778817 GOMJXKWICLNHOK-AWEZNQCLSA-N 325.409 0.111 0 50 ECAA Cn1ccnc1-c1ccccc1C(=O)N1CCN(CCC(N)=O)CC1 20601552 FAKFTJXZRQEWAH-UHFFFAOYSA-N 341.415 0.720 0 50 ECAA CN(C[C@H]1CN(C(=O)Cc2ccoc2)CCO1)c1nccn(C)c1=O 328626693 FIVGQRYPSPCQAX-AWEZNQCLSA-N 346.387 0.280 0 50 ECAA C[C@H]1CN(CC(=O)N2CCOCC2)CCN1C[C@@H](O)c1ccccc1 229544800 LLSVZXOCOZEKGW-FUHWJXTLSA-N 347.459 0.585 0 50 ECAA CCN(CC)[C@@H]1CCN(C(=O)C(=O)NCCC2CCN(C)CC2)C1 355884581 AFRTZOJQLLXKDT-MRXNPFEDSA-N 338.496 0.777 0 50 ECAA CN(CC(N)=O)C[C@H]1CN(c2cccc(C(F)(F)F)n2)CCO1 282312384 SNLCSRSOSBNWIA-JTQLQIEISA-N 332.326 0.723 0 50 ECAA Cc1cc(O)c(C(C)C)cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O 31163638 XFPSRAYOBUHKRV-IBEHDNSVSA-N 328.361 0.003 0 50 ECAA biogenic,in-vitro C[C@H]1NC(=O)CC[C@H]1NS(=O)(=O)c1cnn(Cc2ccccc2)c1 282601042 QSGOOHDJFNGBFF-IUODEOHRSA-N 348.428 0.877 0 50 ECAA CS(=O)(=O)N1CCCC[C@@H]1C(=O)N1CCC[C@@H](n2ccnc2)C1 229800026 CKXWZLNCICURKH-ZIAGYGMSSA-N 340.449 0.861 0 50 ECAA C[C@H]1CCCN(C(=O)CCN2C(=O)NC3(CCCC3)C2=O)[C@@H]1CN 156694309 DVQQZXZTAAIBFL-QWHCGFSZSA-N 336.436 0.827 0 50 ECAA Cc1noc(C)c1CCC(=O)N[C@@H]1CCOC[C@H]1OCC(=O)O 218975048 PCOWEYAXPJJVHJ-CHWSQXEVSA-N 326.349 0.599 0 50 ECAA CN1CCO[C@H]2CCN(C(=O)c3cnn(C)c3-n3cccc3)C[C@@H]21 284568709 FRBOUJIECAGGPQ-GJZGRUSLSA-N 329.404 0.756 0 50 ECAA CN1CCN(Cc2cccc(C(=O)N3CCO[C@@H](CN)C3)c2)CC1 376941185 MOJVXFKQTZZBRL-KRWDZBQOSA-N 332.448 0.234 0 50 ECAA Cc1cnc(C)c(N2CC[C@@H](NC(=O)c3ccccn3)[C@H](O)C2)n1 77517324 VWUSXRNFZPPLLQ-UKRRQHHQSA-N 327.388 0.858 0 50 ECAA CO[C@H]1C[C@@H](C(=O)Nc2c[nH]cc(Br)c2=O)N(C)C1 334011293 UTQNYLUVVIMJAU-XVKPBYJWSA-N 330.182 0.795 0 50 ECAA CC(=O)N1CCO[C@@H](CNC(=O)Nc2cccc3nn(C)nc23)C1 426684399 JSGIUXPWFFKQNT-NSHDSACASA-N 332.364 0.337 0 50 ECAA Cn1nc2c(c1C(=O)NCCS(=O)(=O)N1CCCC1)CCCC2 426411520 PWNASJGOBPBGNS-UHFFFAOYSA-N 340.449 0.454 0 50 ECAA COc1cccc(CN2CCN(C(=O)c3cncc(=O)[nH]3)CC2=O)c1 426389904 SFFRVHOQHXQDQS-UHFFFAOYSA-N 342.355 0.263 0 50 ECAA CC(=O)N1CCC2(CCN(C(=O)CCn3cccn3)CC2)[C@@H](CO)C1 97301466 VLKFZPYJGTUUQN-MRXNPFEDSA-N 348.447 0.743 0 50 ECAA O=C(CN1C(=O)CNC1=O)N[C@@H]1CCC[C@H]1OCc1ccccc1 91819473 MEUOHXLQDQFVCA-ZIAGYGMSSA-N 331.372 0.792 0 50 ECAA Cn1nc(C(F)(F)F)c(Cl)c1C(=O)N[C@H]1CN[C@H](C(=O)O)C1 426597421 OWCKXBBRVVZTLW-UHNVWZDZSA-N 340.689 0.637 0 50 ECAA CCc1nc(N2C[C@H]3CN(CCOC)C[C@@]3(C(=O)O)C2)ncc1C 91656671 STTYJZIUVVBCGN-CXAGYDPISA-N 334.420 0.817 0 50 ECAA Cc1ccc(CN2C[C@@H]3CN(S(C)(=O)=O)C[C@]3(C(=O)O)C2)s1 96164629 HBDYFWVAZTVCGM-BXUZGUMPSA-N 344.458 0.835 0 50 ECAA Cc1ocnc1C(=O)NCc1cc2n(n1)CCCN(C(=O)N(C)C)C2 92081956 JFIFAVSXBZGCTH-UHFFFAOYSA-N 346.391 0.997 0 50 ECAA Cc1ccc(N2C[C@H](C)N(C(=O)c3cn(CCN)nn3)CC2=O)cc1 91270171 OOIDOHHATQETGK-ZDUSSCGKSA-N 342.403 0.423 0 50 ECAA 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Nc1cc(N2C[C@H](O)C[C@@H]2CN[C@H](C2CC2)C(F)(F)F)ncn1 1875399991 OGVCYIIPZBYEPM-GIPNMCIBSA-N 331.342 0.929 0 50 ECAA C[C@@H]1C[C@H](CNC(=O)C23CC(C)(CO2)C3)CN1C(=O)c1cnn[nH]1 1875343354 YRDJCHABFGZIPB-CHISNJGVSA-N 333.392 0.341 0 50 ECAA CN1CCCC[C@@H]1CN(C)S(=O)(=O)c1cc(C(N)=O)cs1 952968811 IIFIIOWJBCZJHW-LLVKDONJSA-N 331.463 0.952 0 50 ECAA CC(C)[C@H](NC(=O)[C@@H]1CCCN(CC(N)=O)C1)c1nc(C2CC2)no1 952981302 DFJLXNLPTGYIBA-OCCSQVGLSA-N 349.435 0.958 0 50 ECAA CCNC(=O)CNC(=O)Cc1nc2ccccn2c1Br 1775998726 HHAJONZWRLOLQX-UHFFFAOYSA-N 339.193 0.892 0 50 ECAA CCc1cc(C(=O)OC)c(NC(=O)C[C@@H]2NCCNC2=O)s1 54240899 FSAFRCNYUVBZLK-JTQLQIEISA-N 325.390 0.514 0 50 ECAA COC(=O)C[C@@H]1CN(CCON2C(=O)c3ccccc3C2=O)CCO1 408524680 XLMNMEOCFAGWJQ-GFCCVEGCSA-N 348.355 0.478 0 50 ECAA CCC1(C(=O)N2CC(N3C[C@@H](c4nc(C)no4)CC3=O)C2)COC1 685941814 HQSUGCOZTFABMB-NSHDSACASA-N 334.376 0.331 0 50 ECAA O=C(O)c1ccc(N2CCCN(S(=O)(=O)C3CC3)CC2)nn1 649399056 GPEFUOBMNLBLFV-UHFFFAOYSA-N 326.378 0.179 0 50 ECAA C[S@](=O)CCNS(=O)(=O)c1cc(C(=O)O)cc2c1CCC2 761290328 NHNNLDOFOXWXFA-FQEVSTJZSA-N 331.415 0.530 0 50 ECAA Cc1nc(C(F)(F)F)nc(N2C[C@@H]3C(=O)NC[C@]3(C(=O)O)C2)c1C 215421983 NCBWPENAGNDRIF-OQPBUACISA-N 344.293 0.749 0 50 ECAA COc1cc(C(=O)N2CCC3(CC2)NCC(C)(C)CNC3=O)ccn1 1772807679 RNXBSRSSCCVEKE-UHFFFAOYSA-N 346.431 0.811 0 50 ECAA COc1cccc(NC(=O)CN2CCN(S(C)(=O)=O)CC2)c1 13323655 TWWDEGJKWWQATO-UHFFFAOYSA-N 327.406 0.211 0 50 ECAA C[C@H]1C(=O)N2CCN(C(=O)c3cccc(F)c3F)C[C@@H]2C(=O)N1C 14743434 SENIFUSDPIOJFU-JOYOIKCWSA-N 337.326 0.478 0 50 ECAA O=C(c1ccc(N2CCOCC2)nc1)N1CCO[C@H]2C[C@H](CO)C[C@@H]21 1857667527 JLKPGFDESDTRHO-KBMXLJTQSA-N 347.415 0.530 0 50 ECAA C[C@@]1(C(=O)NCc2ccc(S(N)(=O)=O)cc2)CC12CCNCC2 1857690902 UEQKWCAAHJODHS-HNNXBMFYSA-N 337.445 0.730 0 50 ECAA CCN=c1ncc(-c2nccn2-c2c(C)nn(CCO)c2C)c[nH]1 1857685536 MGWFHOTUZWGWGI-UHFFFAOYSA-N 327.392 0.989 0 50 ECAA CN1C(=O)CCO[C@H]2CN(S(=O)(=O)c3ccc(F)c(F)c3)C[C@@H]21 1857720757 IZVWPZVNWUBHBC-STQMWFEESA-N 346.355 0.585 0 50 ECAA Cc1cc(N2CC[C@@H](NC(=O)c3ccc(N(C)C)cn3)C2=O)n(C)n1 331984662 VEACOGZYKUNVGR-CQSZACIVSA-N 342.403 0.725 0 50 ECAA C[C@@H]1CN(C(=O)[C@@H]2CCCN(C(=O)c3ccncc3)C2)CC(=O)N1C 253629970 FPYFLUIVOYHQFN-UKRRQHHQSA-N 344.415 0.623 0 50 ECAA CN(CC(=O)N1CCC[C@H](C(=O)O)C1)C(=O)[C@@H]1C[C@@H]1c1cnn(C)c1 364927471 ZYGNXEZAWRTBBZ-IACUBPJLSA-N 348.403 0.305 0 50 ECAA CN(CCN1CCCC1=O)C(=O)C(=O)N[C@@H]1COCc2ccccc21 2325753220 PMXYXZUHHQUPLQ-OAHLLOKOSA-N 345.399 0.455 0 50 ECAA Cc1nc(C)c(CC(=O)N2CCc3nc(C4CC4)nn3CC2)c(O)n1 2356162805 KUBTXCUBBMGXLA-UHFFFAOYSA-N 342.403 0.895 0 50 ECAA COC(=O)C1=C(C)Nc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1ccncc1 8684160 LZIPGPHWLFMCAL-GFCCVEGCSA-N 342.355 0.483 0 50 ECAA COCCN(Cc1cnn(C)c1)C(=O)C[C@@H]1C[C@@H](C)NC(=S)N1 55360357 WJLZOKBADVYKOS-YPMHNXCESA-N 339.465 0.410 0 50 ECAA COc1ncc(NC(=O)NC[C@H]2CCNCC2(F)F)cc1C(N)=O 415280716 MDKMGHWXHHEMQJ-MRVPVSSYSA-N 343.334 0.555 0 50 ECAA CC(C)c1nc2n(n1)C[C@@H](N[C@@H](C)C(=O)NC[C@H]1CCCO1)CC2 248195400 OWXRIEJRBYTEMP-MELADBBJSA-N 335.452 0.990 0 50 ECAA Cc1nccc(N2CCN(C(=O)C3(S(C)(=O)=O)CCC3)CC2)n1 281747279 YXFHKHHCIGCOIY-UHFFFAOYSA-N 338.433 0.401 0 50 ECAA Cc1ccsc1[C@@H]1CCN(C(=O)CN2C(=O)CNC2=O)C[C@H]1O 67894942 CRKMMOQCDJUFOM-GHMZBOCLSA-N 337.401 0.285 0 50 ECAA Cc1nn(C)c(Cl)c1S(=O)(=O)N1CCC2(CC1)CNC(=O)C2 67674332 AIWYUILPBJFGIG-UHFFFAOYSA-N 346.840 0.673 0 50 ECAA CCNC(=O)[C@@H]1C[C@@H](N)CN1C(=O)CCc1cn2ccccc2n1 67675056 QOSDPKHCWFAQQR-OCCSQVGLSA-N 329.404 0.331 0 50 ECAA CN1CCN(S(=O)(=O)C[C@@H]2CCCCO2)C[C@@H]1c1ncc[nH]1 328617625 CYAVVTAHLXNLMT-QWHCGFSZSA-N 328.438 0.597 0 50 ECAA CCN1CCN(C(=O)CS(=O)(=O)CC)C[C@H]1c1nccn1C 328626913 MEJKBQCVLAOEHW-LBPRGKRZSA-N 328.438 0.060 0 50 ECAA CCN(CC(=O)N1CCS(=O)(=O)C[C@@H]1c1cnn(C)c1)C1CC1 328638835 WOHIRVFQJAXIMF-CQSZACIVSA-N 340.449 0.203 0 50 ECAA CC(=O)c1c[nH]ccc1=NC(=O)[C@@H](C(C)C)N1CCCS1(=O)=O 330978350 FVRWRPWMPKVKSZ-CQSZACIVSA-N 339.417 0.705 0 50 ECAA Cn1nncc1CN1CCN2C(=O)N(c3ccccc3)C(=O)[C@@H]2C1 378637560 NRVJNYBRTPAYNO-AWEZNQCLSA-N 326.360 0.468 0 50 ECAA CN(C)C[C@H](/N=c1\nc(N)[nH]c2c1CCNCC2)c1ccccc1 72431169 DJHKNTAAIOTGLP-INIZCTEOSA-N 326.448 0.884 0 50 ECAA COc1cccc(C)c1C(=O)N1CCN(C)[C@@H]2CS(=O)(=O)C[C@@H]21 77485743 GNWCATAWFMPRJP-OLZOCXBDSA-N 338.429 0.557 0 50 ECAA COc1ccc(-n2cc([C@@H](C)NC(=O)Cn3cnnn3)cn2)cc1 223868469 VMAWZZLGWFFQQJ-LLVKDONJSA-N 327.348 0.745 0 50 ECAA O=C(N[C@H]1COC[C@@H]1N1CCCCC1)c1nc2ccccc2[nH]c1=O 220489434 INEGROUPVZONCT-GJZGRUSLSA-N 342.399 0.906 0 50 ECAA O=C(Cn1cnnn1)N1C[C@H]2CC[C@@H]1CN(Cc1ccccc1)C2 91793319 REJUFPVORXKBPL-JKSUJKDBSA-N 326.404 0.796 0 50 ECAA Cc1c(C(=O)NCCc2nncn2C(C)C)cnc2cc(O)nn12 426444955 NZUBZJLSNCKHBA-UHFFFAOYSA-N 329.364 0.888 0 50 ECAA Cc1nnnn1CCC(=O)N1CCCC[C@H]1CCN1CCCC1=O 91550642 HSICNWBXPQAWPG-AWEZNQCLSA-N 334.424 0.765 0 50 ECAA CCN1C[C@@H](C(=O)N(C)Cc2nc(-c3ccncc3)no2)CC1=O 91663847 ATZWBFAPLAWHKX-LBPRGKRZSA-N 329.360 0.958 0 50 ECAA O=C(c1cccnc1)[C@@H]1CCCN(C(=O)CN2C(=O)CNC2=O)C1 91425022 QZILRZADZFGELV-GFCCVEGCSA-N 330.344 0.055 0 50 ECAA Cc1nc2cc(CNC(=O)[C@@H]3CCCN(CC(N)=O)C3)ccc2n1C 91906587 IKWACTNDXUGQON-CQSZACIVSA-N 343.431 0.695 0 50 ECAA CCOC(=O)Cc1[nH][nH]c(=O)c1[C@@H](CC(N)=O)c1ccc(OC)cc1 253470715 AQXOKMZZQVWIEC-LBPRGKRZSA-N 347.371 0.825 0 50 ECAA COc1cccc(C[C@H](NC(C)=O)C(=O)N2C[C@H](C)N[C@H](C)C2)c1 299739574 QHQXUPQATDBXKN-AHIWAGSCSA-N 333.432 0.951 0 50 ECAA Cn1cccc1-c1nnc2ccc(C(=O)N3CCCNC(=O)C3)cn12 1940196653 YAIDAOCVWXXCSG-UHFFFAOYSA-N 338.371 0.697 0 50 ECAA Cn1nc(CO)c2c1CCN(c1cc([C@@H]3CCOC3)nc(N)n1)C2 299790167 AUQNQKSEUZVHGV-SNVBAGLBSA-N 330.392 0.351 0 50 ECAA O=C(CN1CCC[C@H](O)C1)NCc1csc(-c2cnccn2)n1 828627359 HPSRLJYBINZDCB-LBPRGKRZSA-N 333.417 0.673 0 50 ECAA COCCn1cnnc1CN[C@H](C)Cn1cnc2ccccc2c1=O 584888634 IAYDIZSIDYQFAB-CYBMUJFWSA-N 342.403 0.813 0 50 ECAA CC(C)n1nccc1S(=O)(=O)NCCCN1CCC[C@H](O)C1 670451822 FUXZMJWYWNYFSD-ZDUSSCGKSA-N 330.454 0.589 0 50 ECAA O=C(NCCN1CCCC[C@H]1CO)c1ccccc1-n1cncn1 670436148 TVGMJOPDMIQYJO-AWEZNQCLSA-N 329.404 0.844 0 50 ECAA CN(C[C@@H]1COCCO1)c1nnnn1CCCOC[C@@H]1CCCO1 952878533 GDEPGBCHDDVWSR-UONOGXRCSA-N 341.412 0.110 0 50 ECAA CC(C)c1noc(CCCC(=O)N2CCS(=O)(=O)CCO2)n1 1875319070 YKPHDRSDRUAHLY-UHFFFAOYSA-N 331.394 0.704 0 50 ECAA Cn1nccc1CN(CCNC(=O)OC(C)(C)C)C[C@H](O)CO 408523444 KCTJIQVSZHOBHA-ZDUSSCGKSA-N 328.413 0.100 0 50 ECAA NS(=O)(=O)c1cccc(F)c1N1CCO[C@H]([C@H]2CCCO2)C1 631162055 WNMRFTAJRRAWHR-NEPJUHHUSA-N 330.381 0.857 0 50 ECAA CCn1cc([C@@H]2CN(S(=O)(=O)c3c(N)noc3C)CCO2)cn1 281307921 ZSLGUACRYDZFEM-NSHDSACASA-N 341.393 0.544 0 50 ECAA CNC(=O)[C@]1(COC)CCCN1C(=O)c1ccc2nnn(C)c2c1 643948318 OVWMGIPCYXZPNO-MRXNPFEDSA-N 331.376 0.336 0 50 ECAA O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1)C(F)F 194601042 NFENMXZIDWZYLO-LLVKDONJSA-N 341.362 0.663 0 50 ECAA O=C(O)[C@H]1CC(=O)N(C2CCN(C(=O)COc3ccccc3)CC2)C1 653313607 DOVPPZFNBPIRLK-ZDUSSCGKSA-N 346.383 0.990 0 50 ECAA Cn1nc2c(c1CNC(=O)[C@H]1CC[C@@H](C(=O)O)N1C1CC1)CCCC2 663224860 CEUCYLJQARFVNK-CABCVRRESA-N 346.431 0.995 0 50 ECAA CCO[C@@H]1C[C@@H](NS(=O)(=O)c2cnnn2C)C12CCOCC2 684588916 SHMUAXFPDIXISH-GHMZBOCLSA-N 330.410 0.068 0 50 ECAA Cc1cc(C[C@@H]2CN(C3CCN(C(=O)C4CC4)CC3)C[C@H]2O)n[nH]1 1529133079 AFQCPXIREFJMHI-RHSMWYFYSA-N 332.448 0.954 0 50 ECAA OCCN1CCN(C2CCN(CCn3cc(Cl)cn3)CC2)CC1 1529151942 HVLSSPDPYMYLKR-UHFFFAOYSA-N 341.887 0.611 0 50 ECAA CNCCN1C(=O)CC[C@@H]2CN(C(=O)CCCn3ccnc3)CC[C@@H]21 216976289 FNGGHMLYNMKPSW-CVEARBPZSA-N 347.463 0.722 0 50 ECAA O=C(Cc1cc(F)cc(F)c1)N1C[C@]2(C(=O)O)C[C@]2(C(=O)O)C1 1704312841 CJTQXVNGEJJSDN-GASCZTMLSA-N 325.267 0.895 0 50 ECAA Cc1noc2nc3c(c(C(=O)N4C[C@@H]5CC(=O)N[C@@H]5C4)c12)CCC3 1857679689 QMLLLXSVJYFRKT-JOYOIKCWSA-N 326.356 0.980 0 50 ECAA CN(C)[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)c3cc(F)cc(F)c3)C[C@@H]12 1857724233 QRNAEBMTMCAENV-MJBXVCDLSA-N 344.383 0.764 0 50 ECAA CN(C(=O)Cn1ccc(C(=O)O)n1)[C@@H]1CCN(CC(F)(F)F)C1=O 908799767 AUXWLMWRPUOLEP-SECBINFHSA-N 348.281 0.203 0 50 ECAA Cc1cc(F)ccc1CN(C)C(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 935635012 UWYQCMMIXUSMPM-LBPRGKRZSA-N 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338.385 0.541 0 50 ECAA COc1ccc(S(=O)(=O)NCCCN2CCCC2=O)c(OC)c1 6699213 OCWJSCTUGVDTJT-UHFFFAOYSA-N 342.417 0.995 0 50 ECAA CN(C)C[C@@]1(O)CCN(C(=O)c2cnc(-c3ccccn3)nc2)C1 72159172 SGBZDQKLUKGGAC-KRWDZBQOSA-N 327.388 0.677 0 50 ECAA COCC1(O)CCN(C(=O)[C@H]2CC(=O)N(c3ccccn3)C2)CC1 362689414 MIYDNMMKNWIROL-ZDUSSCGKSA-N 333.388 0.434 0 50 ECAA O=C(CN1CC(F)(F)C[C@H]1CO)NCc1ccc2c(c1)OCO2 366687779 OFFGUUDEZGUCMP-NSHDSACASA-N 328.315 0.733 0 50 ECAA CCN1Cc2nc(OC)c(CNC(=O)C[C@H]3CCC(=O)N3)cc2C1=O 71759490 GDILFUNGFCZHIF-LLVKDONJSA-N 346.387 0.351 0 50 ECAA C[C@H](C(=O)NCCc1nc(N)n[nH]1)c1n[nH]c(=O)c2ccccc12 215593056 OYHVLMLNECZFJE-QMMMGPOBSA-N 327.348 0.086 0 50 ECAA COc1ccc(CCc2cc(=O)c3c(o2)[C@H](O)[C@H](O)[C@@H](O)[C@H]3O)cc1 14724676 NRDKOXSXHXTKHR-MWDXBVQZSA-N 348.351 0.236 0 50 ECAA biogenic O=C(CCn1c(O)nc(=O)c2ccccc21)NCC[C@H]1CCNC1 262568148 FPKZAURLCRJBDY-GFCCVEGCSA-N 330.388 0.608 0 50 ECAA CNS(=O)(=O)c1cc(C(=O)N(C)C2CCNCC2)ccc1F 237344483 IQZQSKNNVJZDGJ-UHFFFAOYSA-N 329.397 0.558 0 50 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O=C(C[C@H]1CCS(=O)(=O)C1)NCc1cc(=O)c2ccccc2[nH]1 913749134 GZZMERCLFLADHG-LLVKDONJSA-N 334.397 0.969 0 50 ECAA Cc1cc(C(=O)N[C@@H](CO)CN2CCOCC2)oc1Br 935805106 JBXRJHIHVHAPRS-SNVBAGLBSA-N 347.209 0.773 0 50 ECAA COc1nc2ccccc2nc1CCC(=O)N1CC[C@H](O)[C@H](CO)C1 2100483392 QTJUOMGQNUVUHA-LRDDRELGSA-N 345.399 0.773 0 50 ECAA CN1CCN(C(=O)c2cn([C@@H]3COC[C@@H]3N)nn2)Cc2ccccc21 2325791875 FVNLVTLQLOGWCF-XJKSGUPXSA-N 342.403 0.269 0 50 ECAA O=C(CN1CCCNS1(=O)=O)Nc1ccc2nscc2c1 2325798868 GPQFHHLULWSBBR-UHFFFAOYSA-N 326.403 0.775 0 50 ECAA O=C(N[C@@H]1CC[C@@H](C(F)(F)F)NC1=O)c1ccc2n[nH]cc2n1 2325810556 RDPRLQJAJSYTKT-SCZZXKLOSA-N 327.266 0.897 0 50 ECAA Cn1nnnc1[C@@H]1CN(C(=O)c2ccc3ccn(C)c3n2)CCO1 2356139404 QMHKRCVYGUVXOO-LBPRGKRZSA-N 327.348 0.311 0 50 ECAA CC(C)[C@H](O)c1nnc2ccc(C(=O)NCCCn3ccnn3)cn12 2356151691 UMSYUAFOMWCNFP-AWEZNQCLSA-N 343.391 0.830 0 50 ECAA CC[C@]1(O)CCC[C@H]2CN(C(=O)c3n[nH]c(-n4cnnc4)n3)C[C@H]21 2356164849 JEIDZZVUFCHGJR-RWSFTLGLSA-N 331.380 0.399 0 50 ECAA 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O=C(NCCc1cnccn1)[C@@H]1CC(=O)N(Cc2cccnc2)C1 95359780 FVUODEBERUADSE-CQSZACIVSA-N 325.372 0.579 0 50 ECAA COCCN1CCN(CCc2ccccc2)[C@H]2CS(=O)(=O)C[C@H]21 91779378 RMQQNYOISQULCV-DLBZAZTESA-N 338.473 0.659 0 50 ECAA CC[C@H](C)[C@@H](CO)NC(=O)CCc1c(C)[nH]c2cc(=O)[nH]n2c1=O 230274681 HYNYKFOMMSWFBJ-JOYOIKCWSA-N 336.392 0.080 0 50 ECAA O=C(NCC1(N2CCCCC2)CCCC1)c1cc(-n2cnnn2)[nH]n1 244794946 QWXMQZGTZFKKSI-UHFFFAOYSA-N 344.423 0.914 0 50 ECAA Cc1ccc(-n2nnnc2N2C[C@@H](CO)[C@H](c3cnn(C)c3)C2)cc1 299751494 QRODUYDRJZPYOF-HOCLYGCPSA-N 339.403 0.917 0 50 ECAA O=C(O)CN(C(=O)c1ccc(-n2cncn2)cc1)C1CCOCC1 299752728 VEHJQQYIXPSLPL-UHFFFAOYSA-N 330.344 0.973 0 50 ECAA CC[C@@H](NS(=O)(=O)N1CCC(OC)CC1)c1ncnn1CC 534634163 NLFHMNOKLRKCNQ-GFCCVEGCSA-N 331.442 0.694 0 50 ECAA O=C(NC1([C@@H]2CCNC2)CC1)[C@@H](O)[C@@H](O)c1nc2ccccc2s1 1875315327 PIJBDWCNLWKHMR-DDTOSNHZSA-N 347.440 0.949 0 50 ECAA COc1ncc(Cl)c(N2CC[C@@H]3OCCN(C(C)=O)[C@H]3C2)n1 886031753 SDERJHNUHLCCKS-RYUDHWBXSA-N 326.784 0.965 0 50 ECAA Cc1cc(C)c(N2C[C@@H](C(=O)N3C[C@@H](O)[C@@H](O)CO3)CC2=O)c(C)c1 1775998178 ATHWYEUVEWHNRC-ZNMIVQPWSA-N 348.399 0.460 0 50 ECAA COc1cc(Cl)ccc1S(=O)(=O)N[C@H](CC(=O)O)C(=O)O 166505130 RETNCXVAYUFRCX-SSDOTTSWSA-N 337.737 0.555 0 50 ECAA CN(C)S(=O)(=O)c1cc(C(=O)N[C@]2(C)CCCOC2)n(C)c1 408144354 JMIOURRJFZJMCV-CQSZACIVSA-N 329.422 0.574 0 50 ECAA CNCCN1C(=O)CC[C@@H]2CN(C(=O)c3cnc(N)nc3C)CC[C@@H]21 222019100 KIYGKTDINLXWDQ-OCCSQVGLSA-N 346.435 0.040 0 50 ECAA C[C@@H](C(=O)N1CCCN(Cc2ccnn2C)CC1)N1CCN(C)CC1 1772701298 JZUOUFGZNMAFIP-INIZCTEOSA-N 348.495 0.090 0 50 ECAA COc1cc(C(=O)N2CC[C@]3(CNC(=O)CO3)C2)c2ccccc2n1 1772814137 LKHFJWURCTZPDB-SFHVURJKSA-N 341.367 0.975 0 50 ECAA O=C(CCn1cnnn1)N1C[C@@H]2[C@H](C1)[C@@H]1CC[C@H]2N1C1CCOCC1 1857674050 YQEZOIPYZWEYAO-GEEKYZPCSA-N 346.435 0.163 0 50 ECAA Cn1cccc(CN2C[C@H](O)[C@]3(C2)[C@H](c2ccccc2)[C@H]3CO)c1=O 1857710314 QFKQMVAEGPWJJG-AJYBTWMASA-N 340.423 0.954 0 50 ECAA CCCC[C@@H]1CN(C(=O)c2cc(=O)n(C)c(=O)n2C)C[C@H](C2CC2)O1 1857723286 YUQJERGPQRQQKT-UKRRQHHQSA-N 349.431 0.894 0 50 ECAA Cn1nc(-c2ccccc2)cc1C(=O)N1C[C@H]2COC[C@@H](C1)C(=O)N2 1875250634 STTOCURLQHNTFI-KGLIPLIRSA-N 340.383 0.674 0 50 ECAA O=C(O)c1ccc(S(=O)(=O)Nc2cnn(CCO)c2)c(F)c1 608341567 GTXTVOXKZKTLJC-UHFFFAOYSA-N 329.309 0.514 0 50 ECAA CC(C)(C)C(=O)N1CCC[C@H](C(=O)NC2(CO)CCOCC2)C1 408149673 JLEWWASTSFXUAO-ZDUSSCGKSA-N 326.437 0.929 0 50 ECAA CCc1nsc(N2CCCN(S(=O)(=O)N3CCCC3)CC2)n1 408420195 SNWOITKFCQRKNL-UHFFFAOYSA-N 345.494 0.953 0 50 ECAA COCCN(Cc1ccccn1)C(=O)[C@@H]1Cn2c(C)nnc2CN1C 644322939 KQRVABAZFHNLSB-HNNXBMFYSA-N 344.419 0.471 0 50 ECAA Cc1c(C(=O)N2CC[C@](O)(Cn3ccnn3)C2)cnn1CC(C)C 671605718 LDEOPPIKELLSSW-MRXNPFEDSA-N 332.408 0.716 0 50 ECAA COc1ccc(S(=O)(=O)N2CC[C@@]3(CCOC3)C2)cc1C(N)=O 675032588 KZBQODSYOMKXAA-OAHLLOKOSA-N 340.401 0.595 0 50 ECAA CC1(C)CN(C(=O)NCc2nnnn2C2CC2)C[C@]2(CCOC2)O1 684376692 KKHGQKREILUVRP-HNNXBMFYSA-N 336.396 0.488 0 50 ECAA Cn1c(=O)[nH]c(=O)c2c1nc(NCCO)n2Cc1ccc(F)cc1 2502267 KUZDUBOXGWRPFU-UHFFFAOYSA-N 333.323 0.015 0 50 ECAA CNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1cn(-c2ccccc2)nn1 2325803744 YULCOCHETAHASW-ZDUSSCGKSA-N 349.416 0.557 0 50 ECAA Cn1nccc1[C@@H]1c2[nH]cnc2CCN1C(=O)CCc1ncc[nH]1 1469449726 KQGBUAXUWBHHIW-MRXNPFEDSA-N 325.376 0.973 0 50 ECAA CS(=O)(=O)Nc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 614973 ZKIZGDKDSLVPTN-NSHDSACASA-N 334.419 0.515 0 50 ECAA C[C@H]1[C@H](O)[C@@H](O)[C@H]2CNC[C@@H]2[C@H]1C(=O)N1CCc2ccccc2CC1 2356163758 PYLDORNMFQJBMY-BEIBEKOCSA-N 344.455 0.437 0 50 ECAA CCOC(=O)[C@H]1C(=O)N=C(N2CCOCC2)N[C@@H]1c1cccnc1 9096607 BMTDPQOFXUFCLD-CHWSQXEVSA-N 332.360 0.120 0 50 ECAA Cc1nc(C)c(C(=O)NCCN2CCN(c3ncccn3)CC2)o1 174685365 CBZGQWLONPHEHH-UHFFFAOYSA-N 330.392 0.633 0 50 ECAA CN1CCN(S(=O)(=O)c2cnc(N)nc2)[C@H](c2ccccc2)C1 321485470 RUAKPNBGXNXNNL-AWEZNQCLSA-N 333.417 0.736 0 50 ECAA COCC(=O)N1C[C@H]2CNC[C@@]2(C(=O)NC2(c3ccccc3)CC2)C1 65407629 XSOFKLBZUVKODA-CRAIPNDOSA-N 343.427 0.486 0 50 ECAA COc1ccc(Cl)cc1CN1C[C@H](N(C)CC(=O)O)[C@H](O)C1 328603145 FCALJIQPJMFVJK-QWHCGFSZSA-N 328.796 0.910 0 50 ECAA CN1CCO[C@H]2CCN(S(=O)(=O)c3ncn(C)c3Cl)C[C@H]21 253394524 JUWHCCOLDHNPHM-ZJUUUORDSA-N 334.829 0.167 0 50 ECAA CCc1nnc2n1C[C@H](NC(=O)[C@H]1CS[C@]3(C)CCC(=O)N13)CC2 253370009 KZNOGSZICWORNI-GLKRBJQHSA-N 349.460 0.726 0 50 ECAA Cc1nc(CN(C)C(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cnn(C)c2C)no1 330344819 DKFQLLJSZHOUGP-NHYWBVRUSA-N 346.391 0.598 0 50 ECAA O=C1CN(CC(=O)N2CCO[C@@H](c3ccc(Cl)cc3)C2)CCN1 71768111 KDECZQIHVNVFRA-CQSZACIVSA-N 337.807 0.672 0 50 ECAA O=C(CN1CC(=O)NC1=O)NCC1(c2cccc(F)c2)CCOCC1 219769500 JLTXAXIIOZYFDR-UHFFFAOYSA-N 349.362 0.542 0 50 ECAA CNC[C@@H]1CCCN(S(=O)(=O)c2cccc(S(C)(=O)=O)c2)C1 237212264 BOZSJVDZMUNYHO-LBPRGKRZSA-N 346.474 0.710 0 50 ECAA CO[C@H]1C[C@@H](C(=O)N2CCCC2)N(c2ncnc(N)c2Cl)C1 284473089 IKVSZZDPYZDONE-UWVGGRQHSA-N 325.800 0.928 0 50 ECAA COc1cccc(C2(C(=O)N3CCn4c(nn(C)c4=O)C3)CC2)c1 376062955 WFUOQFIYGUMKFJ-UHFFFAOYSA-N 328.372 0.664 0 50 ECAA CN(C)Cc1nnc([C@@H]2CCCN(C(=O)N3CCOCC3)C2)n1C 77319471 YDXKKTQRHXSJFQ-CYBMUJFWSA-N 336.440 0.508 0 50 ECAA CN1CC[C@H]2[C@@H](CCCN2C(=O)NCC2CCS(=O)(=O)CC2)C1 240668541 HNFNEKDEVZYKPK-GJZGRUSLSA-N 343.493 0.937 0 50 ECAA O=C(CN1CCCC1)N1CC[C@@H]2[C@@H](CCC(=O)N2CCCCO)C1 72448153 MBCLVSCLYROTJG-JKSUJKDBSA-N 337.464 0.694 0 50 ECAA COc1ccc2c(c1)CCN(C(=O)[C@H]1CCc3nn(C)c(=O)n3C1)C2 223645581 NWJXMAQLAXIWQE-AWEZNQCLSA-N 342.399 0.738 0 50 ECAA Cc1cc(C)n2nc(CC(=O)N[C@H]3COC[C@@H]3N3CCCC3)nc2n1 223508495 HRVMRFDDZMAICF-KBPBESRZSA-N 344.419 0.263 0 50 ECAA O=C(NCCOCCO)[C@H]1CCC(=O)N(Cc2ccccc2F)C1 91858903 OUORCNHCUYZZBV-AWEZNQCLSA-N 338.379 0.689 0 50 ECAA C[C@@H](O)CN1CC2(CCC1=O)CCN(C(=O)c1ccnc(N)c1)CC2 91620853 DARHAAZDAVICIP-CYBMUJFWSA-N 346.431 0.889 0 50 ECAA Cc1cc(C)c(C(=O)N2C[C@H](CO)[C@H](CN(C)CCN(C)C)C2)cn1 91859623 UXLFJRMDIFRBQX-IAGOWNOFSA-N 348.491 0.872 0 50 ECAA COCc1noc(CCNC(=O)[C@H]2Cc3ccccc3CN2C)n1 95531280 ABXWUSFANUBQPM-CQSZACIVSA-N 330.388 0.931 0 50 ECAA COc1cc2c(cc1CNC(=O)c1cc(=O)n(C)c(=O)n1C)CCC2 95525461 HERJSXDEBNKIEL-UHFFFAOYSA-N 343.383 0.511 0 50 ECAA CN(C)C[C@H]1C[C@H](CO)CN(C(=O)c2cn(-c3ccccc3)nn2)C1 91391012 MPRQHHSCMBYBAP-CABCVRRESA-N 343.431 0.900 0 50 ECAA CN(C)[C@H](C(=O)N1CCS(=O)(=O)CC1)c1ccc2c(c1)OCO2 244884236 YIBPDYYYBBSHEY-AWEZNQCLSA-N 340.401 0.275 0 50 ECAA CN(C)CCN(CC(=O)O)C(=O)[C@H]1CN(Cc2ccccc2)CCO1 299749074 JCZPCQOEFBJNJG-MRXNPFEDSA-N 349.431 0.362 0 50 ECAA Cc1ccc2nc(CN3CCN(C[C@H](C)O)[C@H](C)C3)cc(=O)n2c1 252474636 IQWAJAVCFSQJSO-CABCVRRESA-N 330.432 0.890 0 50 ECAA CC(C)Cn1cncc1CNC(=O)N1CCO[C@@H](C(=O)N(C)C)C1 534648595 CJDPJQBCLAFSTN-CQSZACIVSA-N 337.424 0.538 0 50 ECAA Cc1[nH][nH]c(=O)c1CC(=O)NC1CCN(Cc2ccncc2)CC1 299759031 MWTMSCMBLOSTHX-UHFFFAOYSA-N 329.404 0.730 0 50 ECAA Cc1cc(C)c(CC(=O)N2CCN3C(=O)CNC(=O)[C@H]3C2)c(C)c1 299790513 BKBQUGQLICKIFQ-OAHLLOKOSA-N 329.400 0.324 0 50 ECAA CN1CCN([C@H]2COC[C@@H]2NS(=O)(=O)CC2CCCC2)CC1 823792744 MBUCQPSOZNJGLJ-GJZGRUSLSA-N 331.482 0.111 0 50 ECAA O=S(=O)(NCc1csc(-c2cnccn2)n1)N1CCOCC1 828388885 ZZFXOPYJVCIOFF-UHFFFAOYSA-N 341.418 0.267 0 50 ECAA CN1C[C@@H](c2cc[nH]c(=N)n2)C2(C1)CN(C(=O)c1cccc(O)c1)C2 1875392952 ARZJHKSGRMYWBT-AWEZNQCLSA-N 339.399 0.766 0 50 ECAA COCC(=O)N1CC[C@H](NC(=O)c2cc(Cl)ccc2F)[C@@H](O)C1 991591561 IPSCZPGNNTYVOB-STQMWFEESA-N 344.770 0.817 0 50 ECAA O=C(Cc1cnccn1)N[C@H]1CCOC[C@@H]1OCc1ccccn1 1565512445 ZLWWGIMOSPIPFK-HOTGVXAUSA-N 328.372 0.905 0 50 ECAA O=C(O)[C@H]1CC(=O)N(CCNS(=O)(=O)c2cc(F)ccc2F)C1 274916091 AAYURQPNPLZZFI-QMMMGPOBSA-N 348.327 0.176 0 50 ECAA Cc1nc(N2CC[C@](O)(C(F)(F)F)C2)sc1S(N)(=O)=O 407987201 XCGYMFZGIFJQJO-MRVPVSSYSA-N 331.341 0.602 0 50 ECAA COC[C@@]1(C(N)=O)CCCN1CC(=O)NCc1ccccc1OC 643826276 JDZBMCOZFBLHMR-QGZVFWFLSA-N 335.404 0.278 0 50 ECAA CNC(=O)[C@@]1(COC)CCCN1C(=O)c1cc(=O)c2ccccc2[nH]1 644060376 SFSIYGZEUVEPFD-SFHVURJKSA-N 343.383 0.895 0 50 ECAA Cc1nc(S(=O)(=O)N2CCN(Cc3ncccn3)CC2)cn1C 192076718 XFDZIEJMLJDHNR-UHFFFAOYSA-N 336.421 0.025 0 50 ECAA Cc1cc([C@H](NC(=O)[C@@H]2CCCS2(=O)=O)C(=O)O)ccc1F 656250256 GSGJANLKDMJUPH-RYUDHWBXSA-N 329.349 0.953 0 50 ECAA 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326.378 0.538 0 50 ECAA CO[C@@]12CC[C@H](O)C[C@@H]1N(C(=O)c1cnc3sccn3c1=O)CC2 299768964 KMPXKCUUBZYVMT-KNHMANMVSA-N 349.412 0.901 0 50 ECAA NS(=O)(=O)C[C@@H]1CCN(C(=O)CCc2n[nH]c3c2CCCC3)C1 299782025 FOUQILZHOXVCSB-LLVKDONJSA-N 340.449 0.358 0 50 ECAA O=C(Cn1cccnc1=O)NCc1nncn1CCc1ccccc1 827861360 FKNZQQQHJGNBKQ-UHFFFAOYSA-N 338.371 0.394 0 50 ECAA O=C(N[C@H]1COC[C@H]1Oc1cn[nH]c1)c1cccc2c1OCCO2 685941403 BCQJJHLJBCHAAO-GXTWGEPZSA-N 331.328 0.757 0 50 ECAA Cc1[nH]nc2c1CC[C@@H](NC(=O)N1CCN3C(=O)OC[C@]3(C)C1)C2 1875304898 YSAGWZZGJNTZER-BZNIZROVSA-N 333.392 0.812 0 50 ECAA O=C(O)[C@@H]1CC[C@H](C(=O)N2CCN(c3cc(F)ccc3F)CC2)N1 952887778 DIFLNIUYCMVNGM-OLZOCXBDSA-N 339.342 0.819 0 50 ECAA CN(C)S(=O)(=O)N1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]2CC[C@H]1O2 952991816 NSIFAMVSHHDOPF-AAVRWANBSA-N 345.465 0.331 0 50 ECAA O=C(NCC1CCN(C(=O)c2ncc[nH]c2=O)CC1)c1cncs1 952989457 MJVCKRSBTICWFB-UHFFFAOYSA-N 347.400 0.509 0 50 ECAA COCCC1(C(=O)N2CCC[C@](O)(Cc3nncn3C)C2)CCC1 886094867 FNJGFJGLXPOZND-KRWDZBQOSA-N 336.436 0.918 0 50 ECAA COc1ccc(CC(=O)N[C@H]2COC[C@H]2Oc2cnn(C)c2)nc1 888093588 ITPSDZULJZISMZ-LSDHHAIUSA-N 332.360 0.329 0 50 ECAA Cc1cc(F)ccc1C(=O)N[C@H]1CCN(CC(=O)N(C)C)C[C@@H]1O 1090748422 OMBHWCIQZTWZQD-GJZGRUSLSA-N 337.395 0.387 0 50 ECAA CNC(=O)[C@@H]1CCCN(c2nnnn2Cc2ccc(OC)cc2)C1 631114302 ASJOIGKKDQMBFI-CYBMUJFWSA-N 330.392 0.692 0 50 ECAA CO[C@H](CS(=O)(=O)N1CCC[C@@H](c2cc[nH]n2)C1)[C@H]1CCOC1 656878539 ZDUFSDXSMHANIK-VNHYZAJKSA-N 343.449 0.970 0 50 ECAA CO[C@@H](C(=O)Nc1cccc(-n2cc(C(=O)O)nn2)c1)[C@H]1CCOC1 659150581 CAOSPRNWXNJJCH-IINYFYTJSA-N 346.343 0.956 0 50 ECAA CCn1c(-c2cc[nH]n2)nnc1N1CC[C@@H](CN2CCOCC2)C1 669136255 DJHBAHMQQRQKPK-ZDUSSCGKSA-N 331.424 0.847 0 50 ECAA CNCCN1C(=O)CC[C@@H]2CN(C(=O)CCCc3cn[nH]c3)CC[C@@H]21 215082813 GHEJDWZGQMNXGX-CVEARBPZSA-N 347.463 0.791 0 50 ECAA C[C@H](Cn1cnc2ccccc2c1=O)N1C[C@H]2[C@H](C1)C2(CO)CO 1772817278 AUCKTTQOOPLUDX-SNPRPXQTSA-N 329.400 0.318 0 50 ECAA Cc1ccc2c(=O)cc(C(=O)N3CC[C@@]4(CNC(=O)CO4)C3)oc2c1 1772807370 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AHKYUOLTGPKAJB-LLVKDONJSA-N 336.417 0.057 0 50 ECAA O=C(c1n[nH]c2ccccc12)N1CCN(CCn2cncn2)CC1 69010224 OAPQATDWGFABLF-UHFFFAOYSA-N 325.376 0.612 0 50 ECAA Cc1nccn1CCCNC(=O)c1ccc(-n2cnnn2)cc1O 215100365 JVCVZVNCPXUSSY-UHFFFAOYSA-N 327.348 0.693 0 50 ECAA CCCN(CCO)C(=O)C[C@@H]1C(=O)NCCN1Cc1ccccn1 72133711 GUVNHTQGEMYATI-OAHLLOKOSA-N 334.420 0.003 0 50 ECAA COc1ccsc1S(=O)(=O)N1CCc2c(ncn(C)c2=O)C1 328632773 SDOUNABXOIBKMW-UHFFFAOYSA-N 341.414 0.597 0 50 ECAA C[C@H](NS(C)(=O)=O)C(=O)N1CCC[C@]2(C1)OCc1ccccc12 364874988 FFBPFZXHFOXUJP-BLLLJJGKSA-N 338.429 0.972 0 50 ECAA NS(=O)(=O)[C@@H]1CCN(S(=O)(=O)c2cccc3ncccc23)C1 331984996 MZKHTQCJFKQOBU-SNVBAGLBSA-N 341.414 0.286 0 50 ECAA CCn1nc(C)c(CN(CCOC)C(=O)C[C@H]2COCCN2)c1C 72144869 HPUIPCDRGPMAKR-HNNXBMFYSA-N 338.452 0.873 0 50 ECAA O=C(O)[C@H]1C[C@@H]1C(=O)N1CCN(c2nnnn2-c2ccccc2)CC1 370727711 CGKXFLYCUNNWOX-STQMWFEESA-N 342.359 0.032 0 50 ECAA CS(=O)(=O)Nc1ccc(F)cc1C(=O)N1CCO[C@@H](C(=O)O)C1 262942375 ZZOSGUZVFARHHB-LLVKDONJSA-N 346.336 0.123 0 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MOSXCXUEMOHLDQ-HNNXBMFYSA-N 345.399 0.985 0 50 ECAA CC(C)NS(=O)(=O)c1cccnc1N1CC[C@H](n2cncn2)C1 365478209 RZWSSRRYOACOPO-LBPRGKRZSA-N 336.421 0.811 0 50 ECAA O=C([C@@H]1CNCCN1C(=O)C1(Cn2cccn2)CC1)N1CCCC1 72163814 QYAOZKXJQQKQJX-AWEZNQCLSA-N 331.420 0.086 0 50 ECAA CC(=O)N1CCCC[C@@H]1CC(=O)N1C[C@H](C)[C@@H](N2CCOCC2)C1 229305258 IHCJGKWQSPCWKN-UAGQMJEPSA-N 337.464 0.957 0 50 ECAA CNC(=O)[C@@H]1C[C@@H](N)CN1C(=O)c1ccccc1NC(=O)C(C)C 67871525 HNONWBAXRPFVLL-RISCZKNCSA-N 332.404 0.569 0 50 ECAA COc1cc(CC(=O)N2C[C@H](N(C)CC(=O)O)[C@H](O)C2)ccc1C 435703468 CRHLUQIPYWAZJW-UONOGXRCSA-N 336.388 0.134 0 50 ECAA COCC(=O)N1CCCN(CCn2c(=O)oc3ccccc32)CC1 67587462 QXUGGTUVJWIDHU-UHFFFAOYSA-N 333.388 0.775 0 50 ECAA CCn1c(CC2CCN(c3nc(OC)nc(OC)n3)CC2)n[nH]c1=O 67850026 HXIKGALTJCVYIX-UHFFFAOYSA-N 349.395 0.253 0 50 ECAA CCN(CC)C(=O)[C@@H]1C[C@@H](N)CN1C(=O)c1cc2ncccn2n1 67954893 SRAVTMRBRBMBGR-YPMHNXCESA-N 330.392 0.140 0 50 ECAA CNC(=O)Cn1nc(C(=O)N2CCO[C@@H](C(F)(F)F)C2)cc1C 71759110 NIXBZCFVMXGQEW-SNVBAGLBSA-N 334.298 0.341 0 50 ECAA CC[C@H](NC(=O)c1nc2ncc(Br)cn2n1)[C@H](C)O 331355449 QQMWCIIUJMSJLT-XPUUQOCRSA-N 328.170 0.776 0 50 ECAA Cn1cc(C(N)=O)cc1C(=O)N[C@H]1CCCN(c2ccnn2C)C1 369693138 PWVGOJPQQCOOLJ-LBPRGKRZSA-N 330.392 0.256 0 50 ECAA CNS(=O)(=O)[C@H]1CCN(C(=O)c2cccnc2N2CCCC2)C1 372727760 PYPDDEWSZCWCMA-LBPRGKRZSA-N 338.433 0.446 0 50 ECAA COC(=O)c1cn([C@H]2CCCN([C@@H](C)c3nnnn3C3CC3)C2)nn1 241161324 JZWGPQOCSZTLQR-JQWIXIFHSA-N 346.395 0.784 0 50 ECAA CC[C@@](CNC(=O)c1ccc(=O)n(C)n1)(C(=O)O)c1ccccc1 263020024 OJWUTAYLGGSUBX-KRWDZBQOSA-N 329.356 0.943 0 50 ECAA COc1ccccc1N1CCN(C(=O)c2ccc[nH]c2=O)CC1=O 82134064 MRSGCCRFPDYLNF-UHFFFAOYSA-N 327.340 0.873 0 50 ECAA CCS(=O)(=O)NCCS(=O)(=O)N1CCn2cccc2[C@H]1C 177410217 JHFXAYCQWQRNPC-LLVKDONJSA-N 335.451 0.134 0 50 ECAA O=C1CC2(CCN(C(=O)[C@@H](O)c3ccc(F)cc3)CC2)CC(=O)N1 222324746 QRZOCXNPEMOKNT-HNNXBMFYSA-N 334.347 0.905 0 50 ECAA CCn1c(Cn2cncn2)nnc1C1CCN(S(C)(=O)=O)CC1 91877096 IQXVLCLCKWZSHT-UHFFFAOYSA-N 339.425 0.077 0 50 ECAA CC(=O)N1CC(Nc2ccc(N3CCCS3(=O)=O)cc2)=CC1=O 253471627 WFBWTSTVLXQXDX-UHFFFAOYSA-N 335.385 0.911 0 50 ECAA NC(=O)c1csc(C(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)c1 299091519 NDHMWBQRCJXWPJ-LLVKDONJSA-N 337.401 0.310 0 50 ECAA CC(=O)N1CSC[C@H]1C(=O)N(CCC(=O)O)C[C@@H]1CCCO1 299751161 PTGWLOWPCRDZQN-RYUDHWBXSA-N 330.406 0.390 0 50 ECAA Cc1cc(N2C[C@H](F)C[C@H]2C(N)=O)n2nc(C(F)(F)F)nc2n1 299741175 DHZDAHXQVGAIOE-RQJHMYQMSA-N 332.261 0.854 0 50 ECAA CCOC(=O)CCN1CCNCCN(CCC(=O)OCC)CC1 864096504 BMGINJUIOITOSR-UHFFFAOYSA-N 329.441 0.100 0 50 ECAA Cc1cc(O)c(C(=O)N[C@H]2CCCN(C(=O)[C@@H]3CCOC3)CC2)nn1 1875332751 IRYZTNUANIXSFH-OLZOCXBDSA-N 348.403 0.638 0 50 ECAA CC(C)n1cc(C[C@@H]2NC(=O)N(CCCc3cnn(C)c3)C2=O)nn1 1875361069 OWZNYGXSFAEMGP-AWEZNQCLSA-N 345.407 0.688 0 50 ECAA CN(CCNC(=O)CCSc1ccccn1)CCS(C)(=O)=O 952883359 LDYTYRJZZBJMQL-UHFFFAOYSA-N 345.490 0.656 0 50 ECAA CCn1nc(C)c(CNC[C@@H]2OCCN(C)[C@H]2c2cncn2C)n1 952852471 BANUNTVONOIBMO-HOTGVXAUSA-N 333.440 0.501 0 50 ECAA O=C(NCc1nc([C@@H]2CCCO2)n[nH]1)[C@@H]1C[C@@H](OC(F)(F)F)CN1 1875406020 UVJDBPQLANTTNO-VGMNWLOBSA-N 349.313 0.539 0 50 ECAA CN(Cc1nc2ccc(F)cc2[nH]1)C(=O)[C@H]1CCCN(CC(N)=O)C1 952989580 XLJJOKFJJYEXSB-NSHDSACASA-N 347.394 0.858 0 50 ECAA CO[C@@H]1CCN([C@H]2CCC[C@H]2N(C)CCS(=O)(=O)N(C)C)C1 886078515 ZBFAKHBLWKWIES-KFWWJZLASA-N 333.498 0.451 0 50 ECAA O=C1CN(Cc2cn(C[C@@H](O)c3ccc(Cl)cc3)nn2)CCN1 899711798 RACCTDDTXGTPAU-CQSZACIVSA-N 335.795 0.597 0 50 ECAA O=C(NC1CN(C(=O)[C@H]2CCCOC2)C1)c1cc(O)nc(C2CC2)n1 994088889 HUOKWJPFJGJOBP-NSHDSACASA-N 346.387 0.427 0 50 ECAA O=C(O)CO[C@H]1COCC[C@@H]1NC(=O)c1nnc(O)c2ccccc12 1565529448 HSPREFJBYZTSRZ-RYUDHWBXSA-N 347.327 0.324 0 50 ECAA C[C@@H](NC(=O)c1cccc(OCC(=O)N(C)C)c1)c1nnnn1C 170611411 IODGCWXBTZQBPO-SNVBAGLBSA-N 332.364 0.168 0 50 ECAA O=C(CN1CCO[C@H](c2ccc(F)cc2F)C1)N1CCNC1=O 187255744 GBQUNXKVGNNEPJ-ZDUSSCGKSA-N 325.315 0.890 0 50 ECAA CNC(=O)c1ccc(C(=O)N2CC(C)(C)O[C@@]3(CCOC3)C2)cn1 280598678 QNGKCNLZOXNRLB-KRWDZBQOSA-N 333.388 0.851 0 50 ECAA Cc1nc(C)n(Cc2cn([C@@H](C(N)=O)c3ccc(F)cc3)nn2)n1 656435272 LWMFUIPECUFBPL-CQSZACIVSA-N 329.339 0.749 0 50 ECAA C[C@@H](C(=O)NCCN1CCOC(C)(C)C1)n1cnc2c(N)ncnc21 667826234 WJVWUUXSDRLHKJ-NSHDSACASA-N 347.423 0.197 0 50 ECAA O=C(N[C@H]1CCN(C2CCOCC2)C1=O)c1cn2ccccc2n1 673829137 ROFCUECHINNMDK-ZDUSSCGKSA-N 328.372 0.844 0 50 ECAA COC[C@H]1CCCN(S(=O)(=O)N2CC(n3nc(C)cc3C)C2)C1 1506396570 VLPRIOAHRKTDLV-AWEZNQCLSA-N 342.465 0.960 0 50 ECAA Cc1ccccc1CC(=O)N[C@@H]1COC[C@H]1CS(=O)(=O)N(C)C 1704344027 MRCXJKSTONSSOF-LSDHHAIUSA-N 340.445 0.560 0 50 ECAA Cc1ncc2c(n1)[C@]1(CCCN(CC(=O)N3CCOCC3)C1)CC2 1704338463 BMZWNGPTJWNRMH-GOSISDBHSA-N 330.432 0.924 0 50 ECAA Cc1cn(CC(=O)N[C@@H]2COC[C@H]2Cc2ccncc2)c(=O)nc1O 1704278297 RKOHYKVYWCOZGX-ZIAGYGMSSA-N 344.371 0.026 0 50 ECAA COCCOCCN1CCCN(C(=O)[C@@H]2CCCN(C)C2)CC1 1772807826 BKPAWPYVLDPPLB-MRXNPFEDSA-N 327.469 0.526 0 50 ECAA Cc1ccc(CN2CCN3C(=O)[C@@H]([C@H](C)O)NC(=O)[C@H]3C2)c(C)c1 14537690 JMHIUYWXXLVKMZ-NUEKZKHPSA-N 331.416 0.195 0 50 ECAA 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O=C(O)COCCN1CCCN(S(=O)(=O)c2ccccc2)CC1 652400877 XZGGPBNNFJBVPB-UHFFFAOYSA-N 342.417 0.484 0 50 ECAA O=C1CO[C@@H]2CCN(C(=O)NCCc3ccc(F)c(F)c3)C[C@@H]2N1 366647354 XPYRXXOWWISBIZ-UONOGXRCSA-N 339.342 0.806 0 50 ECAA O=C1N[C@@H]2COC[C@H]1CN(C(=O)c1ccccc1-n1cccn1)C2 2100539286 AZSTYTGFOYFKHR-OLZOCXBDSA-N 326.356 0.459 0 50 ECAA CSCC[C@H](NC(=O)[C@H]1CCc2nc(=N)[nH]cc2C1)c1nn[nH]n1 2325839417 SIEOZIZMVBYAPY-KWQFWETISA-N 348.436 0.118 0 50 ECAA CNC(=O)[C@@H]1C[C@H](N)CN1S(=O)(=O)c1cc(C)c(Cl)cc1C 67983332 FFZWIAYFVPFKGI-JQWIXIFHSA-N 345.852 0.793 0 50 ECAA O=C(NCCc1nc2ccccc2c(=O)[nH]1)[C@H]1NCCc2[nH]cnc21 72457613 HIHWWTAAMWWMSJ-HNNXBMFYSA-N 338.371 0.192 0 50 ECAA Nc1ccccc1S(=O)(=O)N1CCC(N2CCCNC2=O)CC1 332404268 WZJBRAQCTYHPHU-UHFFFAOYSA-N 338.433 0.837 0 50 ECAA O=S(=O)(C[C@H]1CCOC1)N1CCN(c2ccccc2O)CC1 150999258 JZOLTDNVOXLFSY-ZDUSSCGKSA-N 326.418 0.881 0 50 ECAA C[C@@H](N)[C@H]1CN(S(=O)(=O)C[C@@]23CC[C@@H](CC2=O)C3(C)C)CCO1 230279195 VTFVCPJWZRIBBQ-IATRGZMQSA-N 344.477 0.760 0 50 ECAA O=C(Cn1cc(Br)cn1)N1CCOC[C@]12CCOC2 282298545 YYXNDDSZXWRQAH-GFCCVEGCSA-N 330.182 0.664 0 50 ECAA Cc1nn(C)c(C)c1OCC(=O)N1CCO[C@@H](c2cnn(C)c2)C1 151759605 CHOFIWGFNNUKDI-CQSZACIVSA-N 333.392 0.749 0 50 ECAA Cn1c(=O)ccn(CC(=O)N2C[C@@H](O)C[C@@H]2c2cccc(F)c2)c1=O 282543185 NEVBXFIETQBLAR-UONOGXRCSA-N 347.346 0.021 0 50 ECAA Cc1ccc2nc(CN3C(=O)[C@]4(CCOC4)N=C3O)cc(=O)n2c1 328789443 PYHRHYFCXWRVLX-MRXNPFEDSA-N 328.328 0.418 0 50 ECAA COc1ccc(CCNC(=O)[C@]2(O)CCCN(C(C)=O)C2)cc1F 330572672 PNRHTZNNYBJIOC-KRWDZBQOSA-N 338.379 0.866 0 50 ECAA O=C1NC(=O)[C@@]2(CCCN(C(=O)c3cccnc3N3CCCC3)C2)N1 333290387 KMQJPXAOXGGAHV-KRWDZBQOSA-N 343.387 0.496 0 50 ECAA CCCCN1C(=O)CC[C@H]2CN(C(=O)CCc3n[nH]c(N)n3)CC[C@H]21 72412325 GSEYHFIUWPOJKO-QWHCGFSZSA-N 348.451 0.959 0 50 ECAA Cc1nccc(N2CCN(CC(=O)N3CCOC[C@H]3C3CC3)CC2)n1 376894812 JBQXMXCKVZCJFO-INIZCTEOSA-N 345.447 0.544 0 50 ECAA Cc1ccc2oc(=O)n(CCC(=O)NC[C@@H]3CCNC[C@H]3O)c2c1 72152575 FXTQFXKGHJKDDC-GXTWGEPZSA-N 333.388 0.380 0 50 ECAA Cn1c(=O)cc(C(=O)NCCCN2CCNC(=O)C2)c2ccccc21 215059481 JXXWLJYIRFRVSK-UHFFFAOYSA-N 342.399 0.090 0 50 ECAA O=C(Cc1c[nH]c(=O)[nH]c1=O)NCCCc1nc2ccc(F)cc2[nH]1 221372589 LRIGMFYIKBYAHS-UHFFFAOYSA-N 345.334 0.370 0 50 ECAA Cc1ncnc(N2CCN(C(=O)CCn3nnnc3C)CC2)c1C 223652617 BFPIEWURAMDDDT-UHFFFAOYSA-N 330.396 0.127 0 50 ECAA CN1CCN([C@H]2CN(C(=O)NCCc3ccccc3)C[C@@H]2O)CC1 426472624 DTYBQOIGNKISNK-IRXDYDNUSA-N 332.448 0.231 0 50 ECAA CCc1ccc(C(=O)N2C[C@H](CO)[C@H](CN3CCCN(C)CC3)C2)[nH]1 91657292 VEBWOTWAEXQZKD-HZPDHXFCSA-N 348.491 0.895 0 50 ECAA CNC(=O)c1ccc(CNc2nc(N)nc(C)c2CCC(=O)O)o1 95352687 XZZINIWKHNBZFP-UHFFFAOYSA-N 333.348 0.949 0 50 ECAA O=C(C1CC1)N1CCN(CCn2cnc3ccccc32)C[C@H](O)C1 97742789 WLDRVHTWWGIWKU-HNNXBMFYSA-N 328.416 0.951 0 50 ECAA O=C(CCc1ccccn1)N1C[C@H](CO)[C@H](CN2CCC(O)CC2)C1 91547765 PADGCOVOLNLVRB-HZPDHXFCSA-N 347.459 0.538 0 50 ECAA O=C1COc2ccc(C(=O)N3CCC[C@H]3Cn3ccnn3)cc2N1 299743096 JXDLGBCZXHTQFE-LBPRGKRZSA-N 327.344 0.914 0 50 ECAA CC1(C)C(=O)NC(=O)N1CC(=O)N1[C@H](C(=O)O)C[C@@H]2CCCC[C@H]21 299751841 RYPRNPBWMOBPQG-AXFHLTTASA-N 337.376 0.561 0 50 ECAA COCCc1nc(CNC(=O)N2CC[C@@H](O)CC(C)(C)C2)no1 534645898 RJAJREYLITZPLU-LLVKDONJSA-N 326.397 0.951 0 50 ECAA O=C(NCCN1CCc2ccccc2C1)N1CCN2C(=O)OC[C@H]2C1 534654271 DNXRWLGIPMPCOQ-MRXNPFEDSA-N 344.415 0.891 0 50 ECAA C[C@H](NC(=O)c1c2c(nn1C)CCCC2)c1nnc(CC(=O)O)[nH]1 299783014 VTNYWYSEJGBAEU-QMMMGPOBSA-N 332.364 0.535 0 50 ECAA CO[C@@]12CC[C@@H](OCC(=O)O)C[C@@H]1N(CCCn1cnnn1)CC2 299764294 ZFFAVEBNTUXELR-VNHYZAJKSA-N 339.396 0.176 0 50 ECAA O=C(NCCc1nc(-c2ccccn2)no1)c1nc2ncccn2n1 828219142 JDBVYBUFNDADMS-UHFFFAOYSA-N 336.315 0.542 0 50 ECAA COc1ccc(CNC(=O)C2CCN(c3nnnn3C)CC2)cc1 1875261826 UCQWSYXTBDHOTF-UHFFFAOYSA-N 330.392 0.752 0 50 ECAA CCN1C[C@H](C(=O)N2CC[C@@](C)(NC(=O)C(F)(F)F)C2)CCC1=O 1875269799 HKIWSBSDDJGDHF-QMTHXVAHSA-N 349.353 0.914 0 50 ECAA Cc1nccnc1C(=O)N1CCC(C[C@H]2OCC[C@H]2C(N)=O)CC1 952887208 ZZUWWSZAIDQVDR-ZIAGYGMSSA-N 332.404 0.918 0 50 ECAA NC(=O)[C@@H]1CCO[C@@H]1CC1CCN(C(=O)CN2CCCC2=O)CC1 952886930 VFQCESOEJDDQOK-ZIAGYGMSSA-N 337.420 0.128 0 50 ECAA COc1nccc(CNC[C@@H]2OCCN(C)[C@H]2c2cncn2C)n1 952887531 REFXTDMASDXJKU-GJZGRUSLSA-N 332.408 0.380 0 50 ECAA COCC(=O)Nc1ccc(C)c(NC(=O)Cn2cccnc2=O)c1 952980093 FFUCPURNEWNGTO-UHFFFAOYSA-N 330.344 0.775 0 50 ECAA CC(=O)NCc1cc(O[C@@H]2CCN(Cc3cnn(C)n3)C2)ccn1 886031639 IQMOJMLSFGYJFC-MRXNPFEDSA-N 330.392 0.500 0 50 ECAA Cc1nc([C@@H]2CCCN(C(=O)CN3CCCC[C@@H](O)C3=O)C2)no1 888093615 KULXRGWUYFXEOZ-CHWSQXEVSA-N 336.392 0.457 0 50 ECAA CN(C)S(=O)(=O)N1CC[C@](Cc2ccccc2)(C(=O)O)[C@H](O)C1 1529189155 IVCNKUHCNWWOEL-UKRRQHHQSA-N 342.417 0.173 0 50 ECAA CN(C)c1nc2c(c(N3C[C@@H]4CNC[C@]4(C(=O)O)C3)n1)CCCC2 1565528068 ITCLXPPEFFQAFI-GTNSWQLSSA-N 331.420 0.532 0 50 ECAA O=C(c1n[nH]c2c1CCCC2)N1CCC[C@H](N2CCNCC2=O)C1 186631546 QXJOPOCQDXCRFN-LBPRGKRZSA-N 331.420 0.325 0 50 ECAA CNC(=O)[C@@H](CO)NS(=O)(=O)c1cc(C(C)(C)C)ccc1C 170599209 JECXCCGWNCJKBW-GFCCVEGCSA-N 328.434 0.678 0 50 ECAA CNC(=O)[C@]1(COC)CCCN1C(=O)Cc1n[nH]c2ccccc12 644060138 MICFNDZFXKELRL-QGZVFWFLSA-N 330.388 0.859 0 50 ECAA CO[C@@H](C)CS(=O)(=O)N1CCC[C@H](c2nnc3n2CCC3)C1 195230021 XELUPPBWYZCWTL-RYUDHWBXSA-N 328.438 0.768 0 50 ECAA COCCOc1cccc(CN2CC[C@](O)(Cn3ccnn3)C2)c1 671492417 RRPURMLNGWKLKG-QGZVFWFLSA-N 332.404 0.940 0 50 ECAA Cc1cc(C[C@@H]2CN(C(=O)Cn3nc4ccccc4n3)C[C@@H]2O)on1 1529161403 IDHQKAJSHGEPIB-WBMJQRKESA-N 341.371 0.790 0 50 ECAA C[C@@H]1C(=O)N2CCC[C@@H]2CN1C(=O)c1nn(C)c(=O)c2ccccc12 1772712538 UBDZCGZTRRLHNH-VXGBXAGGSA-N 340.383 0.769 0 50 ECAA CN1CCn2nc(C(=O)NCc3ccc4c(c3)OCO4)cc2C1=O 1857679460 VQUZECNYSZJQOR-UHFFFAOYSA-N 328.328 0.627 0 50 ECAA CN1C(=O)CCO[C@H]2CN(C(=O)c3cc4c(nc3O)CCC4)C[C@@H]21 1857729216 AIWBWIWQFPRZTB-KBPBESRZSA-N 331.372 0.348 0 50 ECAA Cc1nc([C@@H]2CCCN(C(=O)c3cn4c(n3)CCNCC4)C2)n[nH]1 1857736280 IUPWYDDPBWBWBT-GFCCVEGCSA-N 329.408 0.475 0 50 ECAA O=C(NCc1nc(C(F)(F)F)n[nH]1)[C@H]1CC[C@H]2OCCN[C@@H]2C1 1857741152 FONHBYXUDWANOE-DJLDLDEBSA-N 333.314 0.597 0 50 ECAA C[C@@H]1C(=O)CC[C@@H]1CC(=O)N1CCO[C@H](CN(C)CC(=N)O)C1 330003115 BLYNJLFPHOOYKF-YNEHKIRRSA-N 325.409 0.686 0 50 ECAA CN1CC[C@H](N(C)C(=O)[C@@H]2CCCN2C(=O)Cc2ccccc2)C1=O 265661712 OVZJLPGPCXTBJD-HOTGVXAUSA-N 343.427 0.909 0 50 ECAA Cc1ccccc1C1=NO[C@H](C(=O)N2CC(C3CS(=O)(=O)C3)C2)C1 908919244 ZVDHAPOJEVBEMB-INIZCTEOSA-N 348.424 0.991 0 50 ECAA Cn1cc(Br)c(C(=O)N(CC(=O)O)C2CCOCC2)n1 663028566 XUWYNMSHCHPWGN-UHFFFAOYSA-N 346.181 0.888 0 50 ECAA COC(=O)C1=C(N)Oc2c(oc(CO)cc2=O)[C@@H]1c1ccccc1 1420980 PJGCZQYFNMLDBI-GFCCVEGCSA-N 329.308 1.000 0 50 ECAA biogenic COc1ccccc1C(=O)N[C@@]1(C(F)(F)F)NC(=O)N(C)C1=O 2870449 LOMIJFSELJOLAQ-GFCCVEGCSA-N 331.250 0.865 0 50 ECAA CN1CC[C@@H](O)[C@H](C(=O)N(C)Cc2nc(O)c3ccccc3n2)C1 2100534503 LHVKQXBIXLYKJL-TZMCWYRMSA-N 330.388 0.606 0 50 ECAA Cc1cc(C[C@@H]2CN(C(=O)c3cnc4cnn(C)c4c3)C[C@H]2O)n[nH]1 2100556470 AQJLDYNEDJYSOA-MLGOLLRUSA-N 340.387 0.675 0 50 ECAA Cc1ccc(CNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 263698 ZQYUBEAVHBKVJN-UHFFFAOYSA-N 341.371 0.059 0 50 ECAA biogenic CO[C@H]1C[C@@H](C(=O)NCc2ccccc2OCCN(C)C)N(C)C1 344408112 ULDYSTOCDIZGBG-HOTGVXAUSA-N 335.448 0.962 0 50 ECAA CCN1CCN(C(=O)CN(c2cccc(F)c2)S(C)(=O)=O)CC1 20026858 HDUDETVQIJZQIT-UHFFFAOYSA-N 343.424 0.756 0 50 ECAA O=S1(=O)C=C[C@@H](NCc2cnn(CCN3CCSCC3)c2)C1 65370879 GHARPWDLMBEINN-CQSZACIVSA-N 342.490 0.332 0 50 ECAA NC(=O)[C@@H]1Cc2ccccc2CN1CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O 252444226 VZGURESSUZVZKM-OAGGEKHMSA-N 339.395 0.807 0 50 ECAA CC(C)C[C@H](NS(C)(=O)=O)C(=O)NCCN1C[C@H](C)O[C@@H](C)C1 229507257 UZJQTKNEZIOAON-IHRRRGAJSA-N 349.497 0.176 0 50 ECAA CS(=O)(=O)N[C@@H]1CCCN(C(=O)N[C@@H]2CCN3CCCC[C@@H]23)C1 229816399 IVLGNGHHXOEQQN-MCIONIFRSA-N 344.481 0.336 0 50 ECAA O=C1NC[C@@H](C(=O)N2CCCN(C3Cc4ccccc4C3)CC2)N1 72481516 PKNBAHYGHYBYHE-INIZCTEOSA-N 328.416 0.370 0 50 ECAA O=C(O)CN(C(=O)c1ccc(C[C@H]2CC(=O)NC2=O)cc1)C1CC1 262201125 JKODIXFBMYVMTR-LBPRGKRZSA-N 330.340 0.581 0 50 ECAA Cc1ccc(CC(=O)N(C)CC(=O)N2CCC[C@@H](C(=O)O)C2)cn1 262207440 PGVMHXQERVNRIQ-CQSZACIVSA-N 333.388 0.714 0 50 ECAA CS(=O)(=O)N[C@@H]1CCCN(C(=O)[C@H]2Cc3ccccc3CN2)C1 237393969 SPYCFHLTMBIDOV-HUUCEWRRSA-N 337.445 0.241 0 50 ECAA CS(=O)(=O)NCC[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]2CC(=O)[C@@H]1C2 333976120 YMEJMWPTRUQQAK-REWJHTLYSA-N 342.461 0.922 0 50 ECAA Cc1nc2nc(N)nn2c(C)c1CCC(=O)N1CCOC[C@@H](C)C1 378258603 JAEUIVJDQLWAFS-JTQLQIEISA-N 332.408 0.751 0 50 ECAA O=S(=O)(NCc1ccccc1)N1CCN(c2cnnc(O)c2)CC1 71765117 BSUPORINSUPGFQ-UHFFFAOYSA-N 349.416 0.339 0 50 ECAA O=C([C@H]1CCCO1)N1CCc2c(nc(-c3ccccn3)[nH]c2=O)C1 71416390 ORSQPGQEZZXPSO-CQSZACIVSA-N 326.356 0.896 0 50 ECAA COc1ccc(C2(C(=O)N[C@@H]3CS(=O)(=O)C[C@H]3O)CC2)cc1 216253737 LVLSHPUYLLFZSC-CHWSQXEVSA-N 325.386 0.001 0 50 ECAA COCCN(C)C(=O)C[C@@H]1C(=O)NCCN1Cc1cccc(F)c1 72143398 VKOSRDWVSNPEAA-OAHLLOKOSA-N 337.395 0.621 0 50 ECAA Cc1cc(CN2C[C@@H](F)C[C@H]2CNC(=O)c2nccnc2N)on1 338171180 BNDALAMPVMLAFZ-QWRGUYRKSA-N 334.355 0.698 0 50 ECAA CC(C)c1nc2n(n1)C[C@@H](NC(=O)c1cnc(C(=O)O)cn1)CC2 263422060 LIVCRELIDBIQHU-VIFPVBQESA-N 330.348 0.635 0 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CO[C@@H]1CCN([C@H]2CCC[C@H]2NS(=O)(=O)CCN2CCCC2)C1 886080267 SFUVUYTWXXGTTL-OAGGEKHMSA-N 345.509 0.643 0 50 ECAA Cc1ncc(C(=O)N2CCN([C@@]3(C(=O)O)CCOC3)CC2)c(C)n1 886078356 XBSBRZGORODEHT-INIZCTEOSA-N 334.376 0.095 0 50 ECAA CN(C)[C@@H]1CN(C(=O)c2cc3c(cn2)OCCC3)C[C@@H]1n1ccnn1 888094446 QQJMSQNSGXMJIV-CABCVRRESA-N 342.403 0.625 0 50 ECAA CCc1cc(C(=O)N2C[C@@H](CC(=O)O)[C@@H](c3cn(C)nn3)C2)no1 1565528219 ADSWXHRLFTXMKH-KOLCDFICSA-N 333.348 0.696 0 50 ECAA CCOC(=O)c1cnn2cc(CN3CCO[C@@]4(CCOC4)C3)cnc12 1363576787 LXJTUDCVLDOZTB-KRWDZBQOSA-N 346.387 0.897 0 50 ECAA O=C(N[C@]1(C(=O)O)CCSC1)[C@@H]1CC(=O)N(CC(F)(F)F)C1 271890801 KSHHSYATHYMVPW-RDDDGLTNSA-N 340.323 0.474 0 50 ECAA Cn1cc(N2[C@H](C(=O)O)CC[C@@H]2C(=O)NCCOCC2CC2)cn1 630669326 HQFFSSBREGUMSB-KGLIPLIRSA-N 336.392 0.385 0 50 ECAA CC(C)(C)OC(=O)NCCN(C[C@H](O)C(F)(F)F)C[C@@H](O)CO 408522761 DAGVPGXEPCDPOY-ZJUUUORDSA-N 346.346 0.090 0 50 ECAA C[C@H](NC(=O)N1CCCNC(=O)[C@@H]1C)c1nnnn1-c1ccccc1 191401277 VFMWVBATXRGLPP-RYUDHWBXSA-N 343.391 0.643 0 50 ECAA Cc1ccn(CC(=O)N2CCCN(c3cccnn3)CC2)c(=O)c1 194604925 NJVSOBMMQCAERL-UHFFFAOYSA-N 327.388 0.686 0 50 ECAA Cn1cc(S(=O)(=O)N2CCC(c3cc(C(=O)O)on3)CC2)cn1 663292696 FSNFZRMSWFVSQB-UHFFFAOYSA-N 340.361 0.675 0 50 ECAA O=C(COc1ccc(F)cc1F)N1CC[C@](O)(Cn2ccnn2)C1 671499324 PNCNBGRNOAUVCQ-OAHLLOKOSA-N 338.314 0.599 0 50 ECAA CNC(=O)c1ccc(S(=O)(=O)NCc2cc(COC)n[nH]2)cc1 1506422870 VKJDNAOCEYWGBI-UHFFFAOYSA-N 338.389 0.394 0 50 ECAA Cc1cc(C)c(CN2CCN[C@@H]3CS(=O)(=O)C[C@@H]32)c(C)c1CO 208352388 FZNYHKZQQNKWOG-SJORKVTESA-N 338.473 0.675 0 50 ECAA CC(C)[C@H]1CN(C(=O)CCCn2cncn2)C[C@@H]1NS(C)(=O)=O 222297251 CLYNUIPNNHQQNT-OLZOCXBDSA-N 343.453 0.091 0 50 ECAA COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NC(C)C 16650090 YPOXGDXSPOIXDV-UHFFFAOYSA-N 342.417 0.854 0 50 ECAA Cc1nonc1C(=O)N1CC(=O)N(Cc2ccccc2)C[C@@H](O)C1 19956851 FDHQUDUXFHFWOX-CYBMUJFWSA-N 330.344 0.224 0 50 ECAA COc1ccc(CN2C(=O)N[C@H](CC(=O)Nc3ncc[nH]3)C2=O)cc1 206228438 OZLOLRTXQDIUOG-GFCCVEGCSA-N 343.343 0.868 0 50 ECAA 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CN(C)c1ncccc1O[C@H]1CCN(C(=O)Nc2cnnn2C)C1 225850179 MFBVLYZIATTYBG-NSHDSACASA-N 331.380 0.961 0 50 ECAA Cc1noc([C@H](C)N[C@H]2CS(=O)(=O)C[C@H]2N2CCCCC2)n1 248036201 QWXGKGCNSXFFJC-WCFLWFBJSA-N 328.438 0.680 0 50 ECAA Cc1nn(C)c(Cl)c1CN1CCC2(CC1)C(=O)NCCN2C 67690310 FZLFTGZYFGCPKI-UHFFFAOYSA-N 325.844 0.778 0 50 ECAA CC(=O)c1cc(C(=O)N[C@H]2CCCN(C3CCN(C)CC3)C2)n[nH]1 20540648 DNJATBIUNVUERG-ZDUSSCGKSA-N 333.436 0.901 0 50 ECAA COc1ccsc1S(=O)(=O)NC[C@H]1CN(C2CC2)CCO1 121065101 YDFZBLPAVKREKJ-NSHDSACASA-N 332.447 0.898 0 50 ECAA NS(=O)(=O)c1cc2c(cc1C(F)(F)F)NCNS2(=O)=O 897225 DMDGGSIALPNSEE-UHFFFAOYSA-N 331.297 0.014 0 50 ECAA biogenic,world C[C@H](c1nccs1)N1CCN(S(=O)(=O)c2cnnn2C)CC1 330146748 LMZMNDAIWGOUHI-SNVBAGLBSA-N 342.450 0.339 0 50 ECAA CCn1nc(C)c(S(=O)(=O)N2CCS(=O)(=O)CC2(C)C)c1C 253428306 KAMVUWZQQVKUAE-UHFFFAOYSA-N 349.478 0.718 0 50 ECAA Cn1cc(C(=O)N2CCCC[C@@H]2CCn2cccn2)c(=O)[nH]c1=O 216041532 VNAUBHFXYWSVRP-GFCCVEGCSA-N 331.376 0.355 0 50 ECAA 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CCCc1cc(C(=O)N[C@@H]2CCOC[C@H]2OCC(=O)N(C)C)no1 223580300 GRGKVPJBWUSEJT-TZMCWYRMSA-N 339.392 0.619 0 50 ECAA Cc1cc(C(N)=O)ccc1NC(=O)NCCN1CCC[C@@H](CO)C1 426717018 RPBFMSQXCKVLKS-CYBMUJFWSA-N 334.420 0.920 0 50 ECAA Cc1ccsc1CN(CCO)C(=O)C[C@H]1C(=O)N(C)C(=O)N1C 91745212 QVMRWGPCIOHSAN-NSHDSACASA-N 339.417 0.660 0 50 ECAA O=C(O)[C@H]1Cc2[nH]cnc2CN1C(=O)Cn1c(=O)oc2ccccc21 96167002 BYBWNDDGYQRRDN-GFCCVEGCSA-N 342.311 0.356 0 50 ECAA COc1cccc2c1OC[C@H](CNS(=O)(=O)N1CCOCC1)C2 95392142 GXHYELVHDYMVOT-LBPRGKRZSA-N 342.417 0.413 0 50 ECAA Cc1nc(C)n(CCCNC(=O)Cn2cnc3ccsc3c2=O)n1 243914768 BKLGKXXDXNZMEO-UHFFFAOYSA-N 346.416 0.873 0 50 ECAA NC(=O)c1cn(C2CCN(C(=O)N[C@@H]3CC[C@@H]4C[C@H]4C3)CC2)nn1 624290428 BJGLTIRWINBJAD-GRYCIOLGSA-N 332.408 0.912 0 50 ECAA CS(=O)(=O)N1CCC[C@@H]1C(=O)NCCc1cccc(C(=O)O)c1 299742165 IDKUHVXNFWMKLA-CYBMUJFWSA-N 340.401 0.468 0 50 ECAA CS(=O)(=O)N1CCC[C@H]1C(=O)N1CCC[C@H](CCC(=O)O)C1 299743087 LSQAXAFVTJMJJV-NEPJUHHUSA-N 332.422 0.514 0 50 ECAA Cc1ccc(N2CC[C@@H](C(=O)N3CCOC[C@H]3C(=O)O)C2=O)cc1C 299752908 VYVWSHMILWOEOM-CABCVRRESA-N 346.383 0.968 0 50 ECAA O=C(NCC1CCS(=O)(=O)CC1)c1cc(C(F)(F)F)n[nH]1 299756847 HSJQOEJWDYCEFQ-UHFFFAOYSA-N 325.312 0.983 0 50 ECAA CCNc1ncc(CN2C[C@@H](c3cn(C)nn3)[C@@H](CC(=O)O)C2)cn1 299773750 DOFNWOZRIHEIPT-QWHCGFSZSA-N 345.407 0.727 0 50 ECAA COC[C@H](NC(=O)Cn1cc(C=O)c2ccccc21)c1nn[nH]n1 1155070133 UVZZFANZBSHVAN-LBPRGKRZSA-N 328.332 0.471 0 50 ECAA O=c1ccccn1CCn1nnc([C@@]2(C(F)(F)F)CCCN2)n1 1875282081 LYCIWNFDKVNJBP-GFCCVEGCSA-N 328.298 0.676 0 50 ECAA Cn1cnnc1C[C@]1(O)CCCN(C(=O)c2ccc3nc[nH]c3c2)C1 886094974 IZZZFWULPVAJSM-QGZVFWFLSA-N 340.387 0.901 0 50 ECAA Cc1cc(F)ccc1S(=O)(=O)N[C@@H]1CNC[C@@H]1n1ccnn1 886074667 MCYNLZCWKUPRTE-NEPJUHHUSA-N 325.369 0.217 0 50 ECAA CC(=O)N1CC[C@H](NC(=O)c2c(C)[nH]c3c2C(=O)CCC3)[C@@H](O)C1 1565505944 XMLKLUDRNPQPPM-FZMZJTMJSA-N 333.388 0.554 0 50 ECAA Cc1ccc(CN2C[C@H](C(=O)N3CC(CC(N)=O)C3)CC2=O)cc1 280417758 GBQJUHNTWLFVEW-OAHLLOKOSA-N 329.400 0.677 0 50 ECAA COC(=O)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(C)C 216171296 QXFYINFUCZPQRB-LSDHHAIUSA-N 336.388 0.753 0 50 ECAA C[C@H]1N(C(=O)c2ccc(S(N)(=O)=O)o2)CCC12CCOCC2 408207870 UQGQXZWSOBRPOQ-SNVBAGLBSA-N 328.390 0.958 0 50 ECAA Cc1ccc(C(=O)N2CCS(=O)(=NS(C)(=O)=O)CC2)s1 408517986 QZJHLORFDWEGRL-UHFFFAOYSA-N 336.460 0.940 0 50 ECAA Cc1cc(C[C@@H]2CN(C(=O)CN(C)Cc3ccncc3)C[C@H]2O)n[nH]1 1529150930 BMMAFNIANLGJSV-NVXWUHKLSA-N 343.431 0.607 0 50 ECAA CO[C@H]1CN(CCCS(=O)(=O)N(C)C)C[C@H]1Cc1cc(C)no1 1704326449 FANPIPGBCIKMGN-HIFRSBDPSA-N 345.465 0.754 0 50 ECAA CCn1ncnc1CN1C[C@@H]2COC[C@H](C1)N(C(=O)c1ccco1)C2 1772706958 OIKPBXMFRLPTJO-KBPBESRZSA-N 345.403 0.864 0 50 ECAA CC(=O)c1cc(C(=O)NCc2cccnc2N2CCOCC2)[nH]n1 11819670 GKNTWIGZGGUSIF-UHFFFAOYSA-N 329.360 0.774 0 50 ECAA COC(=O)[C@@H](CC(C)C)NC(=O)CSc1nnc(C)c(O)n1 18094021 AIMCBOTZFQYAMQ-SECBINFHSA-N 328.394 0.682 0 50 ECAA biogenic COC(=O)[C@@H](NC(=O)c1cc2n(n1)CCN(C)C2=O)c1ccccc1 1857675619 BFPULJCQLLTJQZ-AWEZNQCLSA-N 342.355 0.613 0 50 ECAA 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CCCC[C@H](NC(N)=O)C(=O)N1C[C@H](C)[C@@H](N2CCOCC2)C1 229307624 UHGVLWYZVZECDW-IHRRRGAJSA-N 326.441 0.393 0 50 ECAA CC(C)(C(=O)N1CCC[C@@H](c2nc(O)n[nH]2)C1)S(=O)(=O)C1CC1 329682793 SSHRXJABNWRLFJ-SECBINFHSA-N 342.421 0.572 0 50 ECAA CNC(=O)c1cccc(C(=O)N2CCN(C)[C@H](c3nc(C)no3)C2)c1 284580694 HDFJTAKXEVQTQD-AWEZNQCLSA-N 343.387 0.867 0 50 ECAA CCc1cnccc1C(=O)N1CC(N2CCn3c(C)nnc3C2)C1 328644111 RSAGXKROVZCNLH-UHFFFAOYSA-N 326.404 0.884 0 50 ECAA Cc1nc2c(c(NCc3ncc[nH]3)n1)CCN(S(C)(=O)=O)CC2 72475425 RGRYJZGHXKJXAG-UHFFFAOYSA-N 336.421 0.480 0 50 ECAA O=S(=O)(c1ccc2c(c1)CCCC2)N1CC[C@@](O)(c2c[nH]nn2)C1 285187548 UXYMLHJNQVACQQ-INIZCTEOSA-N 348.428 0.966 0 50 ECAA CN(C)Cc1nnc([C@H]2CCCN(C(=O)c3ccc[nH]c3=O)C2)n1C 72410023 JLPMPAQSYSPYQI-LBPRGKRZSA-N 344.419 0.585 0 50 ECAA O=C(Cn1ccc(=O)[nH]c1=O)NCc1coc(-c2ccccc2)n1 221180376 DRPVIYFBLFNEII-UHFFFAOYSA-N 326.312 0.508 0 50 ECAA Cc1ccn2c(C(=O)N[C@H]3CCOC[C@H]3C3CCOCC3)nnc2n1 222296313 ONAWCFDIBQWLSM-KBPBESRZSA-N 345.403 0.994 0 50 ECAA CNC(=O)C[C@H]1C(=O)NCCN1C(=O)NCc1cccc(C)c1C 426515507 KHGDIJAGOCAMTN-AWEZNQCLSA-N 332.404 0.450 0 50 ECAA Cc1cnccc1N1CCN(C(=O)CC[C@@H]2NC(=O)NC2=O)CC1 221365393 IZVWHEKNLQBJBB-LBPRGKRZSA-N 331.376 0.027 0 50 ECAA CCCN1C(=O)N[C@H](CC(=O)N(C)Cc2cnn(CC)c2C)C1=O 426667136 SMEWMIQTKWUSBZ-CYBMUJFWSA-N 335.408 0.890 0 50 ECAA Cn1cnnc1C1CCN(c2cc(C3CC(N)C3)nc(N)n2)CC1 222985800 VUJVBZHZIDBCLH-UHFFFAOYSA-N 328.424 0.776 0 50 ECAA Cc1nn(CC(=O)N2CC[C@@H](CS(N)(=O)=O)C2)c(C)c1Cl 426648218 XVSPTXGMHRLVOF-SNVBAGLBSA-N 334.829 0.290 0 50 ECAA O=S1(=O)C[C@@H]2[C@H](C1)N(Cc1ncon1)CCN2Cc1ccccc1 95510231 QZYWSUXCOSRIHD-CABCVRRESA-N 348.428 0.553 0 50 ECAA O=C(COc1ccccc1)N1CCN(C(=O)C[C@@H]2COCCN2)CC1 97495514 ZIXJUVFMRHVCEH-OAHLLOKOSA-N 347.415 0.115 0 50 ECAA CCN(Cc1noc(CC(C)C)n1)C(=O)[C@@H]1CCC(=O)NC(=O)N1 97213315 FRXDUFUYCFOQRC-JTQLQIEISA-N 337.380 0.605 0 50 ECAA O=C(N[C@H]1C=CS(=O)(=O)C1)c1cnc(CN2CCCC2)s1 97758030 OOZAMALJGMRWAO-JTQLQIEISA-N 327.431 0.779 0 50 ECAA CS(=O)(=O)CC[C@H](NC(=O)c1cn2ccsc2n1)C(=O)O 95359312 KKJNQKBKPWMHGO-ZETCQYMHSA-N 331.375 0.014 0 50 ECAA Cc1cccc(CCN2C[C@H]3CN(C(=O)N(C)C)C[C@@]3(C(=O)O)C2)n1 96151467 FJPXWXJWTGSNBZ-KSSFIOAISA-N 346.431 0.933 0 50 ECAA CC(C)c1nnc2n1CCN(C(=O)C[C@H]1C(=O)N(C)C(=O)N1C)CC2 91602583 FELXUBZHXBXYRY-NSHDSACASA-N 348.407 0.069 0 50 ECAA Cc1nonc1OCCNC(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1 92077692 RTIRWSYCFXUPHK-GFCCVEGCSA-N 345.359 0.317 0 50 ECAA CCc1ncc(CN2CC(N3C[C@@H](c4nc(C)no4)CC3=O)C2)cn1 864313795 XLBDBZPCBGYWJG-ZDUSSCGKSA-N 342.403 0.931 0 50 ECAA Cn1ncc(C(=O)NC[C@H](O)Cn2cccn2)c1Cc1ccccc1 1875296465 YLCBGVUDGOITBJ-HNNXBMFYSA-N 339.399 0.998 0 50 ECAA N=c1nn[nH]n1CC(=O)N1CCCC[C@@H]1c1nc2ccc(F)cc2[nH]1 952972013 PNJJKHBBDXMSNB-GFCCVEGCSA-N 344.354 0.855 0 50 ECAA O=C(c1cn([C@@H]2COC[C@H]2O)nn1)N1CCOc2c(F)cccc2C1 888093687 OBJJLMJONJAFIV-ZIAGYGMSSA-N 348.334 0.384 0 50 ECAA CNC(=O)[C@H]1CCCN(c2nnnn2Cc2ccc(OC)cc2)C1 631114305 ASJOIGKKDQMBFI-ZDUSSCGKSA-N 330.392 0.692 0 50 ECAA 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348.428 0.944 0 50 ECAA Cc1oc(C(=O)O)cc1S(=O)(=O)N1CCC[C@@H](n2ccnn2)C1 424592251 BJUQFWFBSRAPFL-SNVBAGLBSA-N 340.361 0.904 0 50 ECAA CCn1cnnc1[C@H]1CN(C(=O)[C@@H](C)N2CCSCC2)CCO1 328615988 BGYZDFFZPXZVPC-CHWSQXEVSA-N 339.465 0.635 0 50 ECAA Cn1nnc(NS(=O)(=O)c2ccc(F)cc2Br)n1 127689661 JGIXOXOPAQEVCC-UHFFFAOYSA-N 336.146 0.913 0 50 ECAA C[C@H](NC[C@@]1(O)CCN(C)C1)c1ccc(NS(C)(=O)=O)cc1 330880033 MQZUPZGULBZKAK-WFASDCNBSA-N 327.450 0.775 0 50 ECAA C[C@@H](NS(C)(=O)=O)C(=O)N1CCC[C@]2(C1)OCc1ccccc12 364874990 FFBPFZXHFOXUJP-MLGOLLRUSA-N 338.429 0.972 0 50 ECAA CCN1CN(C(=O)CCN2C(=O)[C@@H](C)Oc3ccccc32)CC1=O 365265387 IJGPFKBBLUQOJU-GFCCVEGCSA-N 331.372 0.839 0 50 ECAA CSc1ncc(C(=O)N2CCN(Cc3nccn3C)CC2)cn1 218967836 CGGXTPVFBOGKNQ-UHFFFAOYSA-N 332.433 0.890 0 50 ECAA O=C(NC1CCCCC1)N1CCN2C(=O)[C@H]3CCCN3C(=O)[C@H]2C1 14747800 VVFPZMXKCKWEOR-ZIAGYGMSSA-N 334.420 0.546 0 50 ECAA biogenic CCN1CCN(C[C@H](C)CNC(=O)N[C@H]2CCCC[C@H]2O)CC1 239667670 BRDKGNCHRNMQDG-OWCLPIDISA-N 326.485 0.863 0 50 ECAA COc1ccccc1OC1CCN(C(=O)C[C@H]2NC(=O)NC2=O)CC1 72425834 GVOSTHIVNXZBFE-GFCCVEGCSA-N 347.371 0.663 0 50 ECAA CN1CC[C@@H]2OCCN(S(=O)(=O)c3ncn(C)c3Cl)[C@H]2C1 285170100 UHQGLDYZJWMXID-UWVGGRQHSA-N 334.829 0.167 0 50 ECAA O=C(NC1CC1)[C@@H]1CNCCN1C(=O)Cc1cn2ccsc2n1 72134382 UJKBXOFLZPLDOS-LBPRGKRZSA-N 333.417 0.017 0 50 ECAA O=C(c1cc(=O)[nH]c(O)n1)N1CCC(C(=O)N2CCCCC2)CC1 72438291 VRGFYNQMGZOUFF-UHFFFAOYSA-N 334.376 0.340 0 50 ECAA COCCNc1nc2c(c(NC[C@@H](C)n3cncn3)n1)CCNCC2 72458043 MBVUCWZLLCRUEB-GFCCVEGCSA-N 346.439 0.488 0 50 ECAA CN1CC[C@@H]2OCCN(C(=O)c3ccc(N4CCNC4=O)cc3)[C@H]2C1 285942093 VRTRGCXAQIVGPD-HOTGVXAUSA-N 344.415 0.761 0 50 ECAA Cc1nc(C)n(CCCNC(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)n1 223478335 REPAKWQLRHQFIH-UHFFFAOYSA-N 342.359 0.245 0 50 ECAA Cn1ncc(C(=O)N2CC[C@H](CS(C)(=O)=O)C2)c1-n1cccc1 293712656 MAFKPXURPOBLPO-LBPRGKRZSA-N 336.417 0.718 0 50 ECAA CN1C(=O)C[C@H](C(=O)N2CCN(c3nc[nH]n3)CC2)c2ccccc21 426419883 BEWOQJIKAGIHOT-ZDUSSCGKSA-N 340.387 0.604 0 50 ECAA Cc1nc(CN=c2cc([C@@H]3CCOC3)[nH]c(=NCCO)[nH]2)sc1C 426571841 VOPJVXSWSREAIE-GFCCVEGCSA-N 349.460 0.914 0 50 ECAA Cc1cc(C)n2nc(C)c(C(=O)NCCN(C)S(C)(=O)=O)c2n1 97805707 PUDIQEBWKDMWAH-UHFFFAOYSA-N 339.421 0.276 0 50 ECAA CN(C)C(=O)CN1C[C@@H]2CC[C@H](C1)N(Cc1nnc(C3CC3)o1)C2 91872036 HEBBDVGAJPSLAM-GXTWGEPZSA-N 333.436 0.931 0 50 ECAA COCC(=O)N1CCC[C@H](C(=O)NCCNc2ncccc2C)C1 95358389 GGXFFEJSCJHQBR-AWEZNQCLSA-N 334.420 0.803 0 50 ECAA Cn1nccc1C(=O)N[C@H]1C[C@@H](c2cc(N3CC[C@@H](O)C3)ncn2)C1 244641257 GMIXPHMGCQIDFZ-FRRDWIJNSA-N 342.403 0.457 0 50 ECAA Cn1nnc2cc(C(=O)N[C@@H]3CC(=O)N(CC(F)(F)F)C3)cnc21 182777756 QGPZTEYSNCCYGR-MRVPVSSYSA-N 342.281 0.256 0 50 ECAA Cc1cnc(N2C[C@@H](c3cn(C)nn3)[C@@H](CC(=O)O)C2)nc1N(C)C 299792824 HBYLCMKBYVSNJL-NWDGAFQWSA-N 345.407 0.674 0 50 ECAA CN1CCCN(C)C2(CCN(C(=O)c3ccc(=O)n(C)c3)CC2)C1 299794381 KDRJRDFQZLKNAB-UHFFFAOYSA-N 332.448 0.627 0 50 ECAA O=C(NCCc1nc(C2CC2)no1)c1ccc(Cn2cnnn2)cc1 670462746 ADVZKJRHXDSAMN-UHFFFAOYSA-N 339.359 0.954 0 50 ECAA Cn1cc(C(F)(F)F)c(=O)n(CC(=O)N2CCOC(C)(C)C2)c1=O 1875280828 ATVYFHIXTDGGTQ-UHFFFAOYSA-N 349.309 0.203 0 50 ECAA O=C(N[C@@H]1C[C@H]2C[C@H]1[C@@H](O)[C@H]2O)c1nn(-c2ccc(F)cc2)cc1O 1875337491 WECRVIUOAWAMKW-KJUOQSRUSA-N 347.346 0.577 0 50 ECAA Cc1nc(C(=O)N2CCNCC2(C)C)nc(N2CC[C@@H](N)C2)c1C 1875398133 CLOLQSOULAFSRS-CYBMUJFWSA-N 332.452 0.455 0 50 ECAA O=C1N[C@H](Cc2c[nH]c3cccc(F)c23)C(=O)N[C@@H]1Cc1cc[nH]n1 1875320724 WGMTXLBSSTZWMH-ZIAGYGMSSA-N 341.346 0.799 0 50 ECAA Cc1ccc([C@H](N)CNC(=O)Cn2nnc3ccccc3c2=O)cc1 1875359985 VOHWMKZNOIMWKT-OAHLLOKOSA-N 337.383 0.916 0 50 ECAA CN1CCCC[C@H]1CN(C)S(=O)(=O)c1cc(C(N)=O)cs1 952968816 IIFIIOWJBCZJHW-NSHDSACASA-N 331.463 0.952 0 50 ECAA Cc1nn(C)c(C)c1OCC(=O)N[C@H]1COC[C@H]1Oc1cnn(C)c1 888093502 AOSAKYWHZWYBHY-UONOGXRCSA-N 349.391 0.112 0 50 ECAA CC1(C)CCN(CC(=O)NCc2cccc(N3CC[C@H](N)C3)n2)C1 1775962398 JGHGHSICXAZRPU-AWEZNQCLSA-N 331.464 0.967 0 50 ECAA COCC(=O)N1CC[C@H](NC(=O)c2ccc3ncccc3c2)[C@@H](O)C1 991740264 DMBSBYKNULHKPF-HOTGVXAUSA-N 343.383 0.573 0 50 ECAA O=S(=O)(CC1CC(F)(F)C1)N[C@@H]1CCC[C@@H]1N1CC[C@H](O)C1 643770560 OGOILPAOOFYTKT-XQQFMLRXSA-N 338.420 0.939 0 50 ECAA O=C(O)[C@H]1CC(=O)N(C2CCN(C(=O)NC[C@H]3CCCO3)CC2)C1 649475418 AZQYRFXZWWEDBW-WCQYABFASA-N 339.392 0.273 0 50 ECAA O=C(O)[C@@H]1CS(=O)(=O)CCN1C(=O)c1ncnc2ccsc12 663055581 AZUJMPKHPOXMDB-QMMMGPOBSA-N 341.370 0.015 0 50 ECAA Cc1cnc(CN2CCCN(C(=O)[C@H](C)Cn3cncn3)CC2)cn1 1529172921 KTSNHRZGGXNKSA-CQSZACIVSA-N 343.435 0.747 0 50 ECAA Cc1ccn(CC(=O)N2CCCN(C(=O)[C@@H]3CCCN(C)C3)CC2)n1 1772704651 KEGLZCGATFWYKU-MRXNPFEDSA-N 347.463 0.594 0 50 ECAA Cc1cccc(CN2CCN3C(=O)[C@H](CCCCN)NC(=O)[C@H]3C2)n1 14754554 LINPPZINSIPVOI-JKSUJKDBSA-N 345.447 0.030 0 50 ECAA CC(C)C(=O)N1CCC(C(=O)NCCN2C(=O)CSC2=O)CC1 1136328249 DMINPWQFDHLWJB-UHFFFAOYSA-N 341.433 0.693 0 50 ECAA NCCCCNc1cccc2c1C(=O)N([C@@H]1CCC(=O)NC1=O)C2=O 1857779960 KMGOFKGAYSFPGS-GFCCVEGCSA-N 344.371 0.239 0 50 ECAA CN(Cc1nccn1Cc1ccccc1)C[C@@]1(O)CNCCOC1 77287169 RVLBKYYXKDEICN-SFHVURJKSA-N 330.432 0.714 0 50 ECAA Cn1ncc2ncc(C(=O)N3CCC(O)(Cn4ccnc4)CC3)cc21 2100540038 ALJKMKPJYBMWAI-UHFFFAOYSA-N 340.387 0.832 0 50 ECAA CN(Cc1ccccc1F)C1=CC(=O)N([C@H]2CCC(=O)NC2=O)C1=O 2325900441 ZDIMUUGVHBYPRY-LBPRGKRZSA-N 345.330 0.315 0 50 ECAA NS(=O)(=O)c1ccc(NC(=O)C[C@H]2SC(=O)NC2=O)cc1 1799008 YDGQDNNJUOSWLJ-MRVPVSSYSA-N 329.359 0.014 0 50 ECAA biogenic Nc1ncc(CN2C[C@@H]3CN(C4CCCC4)C[C@]3(C(=O)O)C2)cn1 65371825 KBFHOKWFUCRXBK-CXAGYDPISA-N 331.420 0.820 0 50 ECAA CC(C)CN1CCC(N2CCn3nc(C(=O)NCCO)cc3C2)CC1 65409223 GGYVOVTVFZODES-UHFFFAOYSA-N 349.479 0.541 0 50 ECAA CC[C@@H]1CN(C(=O)c2cc(S(N)(=O)=O)ccc2OC)CCN1 67920188 XPVXXLMQDXMRPA-SNVBAGLBSA-N 327.406 0.167 0 50 ECAA CC1=C[C@]23C(=O)[C@@H](C=C(CO)[C@@H](O)[C@]2(O)[C@H]1O)[C@H]1[C@@H](C[C@H]3C)C1(C)C 27652832 VEBVPUXQAPLADL-POYOOMFHSA-N 348.439 0.815 0 50 ECAA biogenic,in-vitro Cc1ccc(OCC(=O)N[C@@H]2C[C@H]3C(=O)N(C)CC(=O)N3C2)cc1C 67727321 PMRCUIXJNBVUCM-HIFRSBDPSA-N 345.399 0.240 0 50 ECAA CNS(=O)(=O)NCC(=O)N[C@H]1CCCC[C@@H]1Cc1ccccc1 253404012 BXDZSBBHGPXNBM-CABCVRRESA-N 339.461 0.958 0 50 ECAA Cc1nccn1-c1ccc(CNC(=O)C(=O)N2CCOCC2)cn1 283035573 CNAJMAGLACKPTI-UHFFFAOYSA-N 329.360 0.051 0 50 ECAA CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(C(=O)O)cc1OC 322791613 MEKSGCPOCGWITR-JTQLQIEISA-N 342.373 0.293 0 50 ECAA O=C(c1n[nH]c2c1CCC2)N1CCC[C@H](N2CCCS2(=O)=O)C1 369297835 IMALNWNRYAUSCI-NSHDSACASA-N 338.433 0.539 0 50 ECAA CC(=O)N1CCc2ccccc2[C@H]1CC(=O)N1CCO[C@@H](C(=O)O)C1 328595179 NBBHIVFIRSOLHE-HZPDHXFCSA-N 346.383 0.834 0 50 ECAA CNCCN1C(=O)CC[C@H]2CN(c3nc(OC)cc(OC)n3)CC[C@H]21 72409584 LUPDZKHWGPCBLI-QWHCGFSZSA-N 349.435 0.531 0 50 ECAA Cn1nnnc1Cn1cnc2c(cnn2-c2cccc(Cl)c2)c1=O 489767195 BNEBCWGEFCRAQO-UHFFFAOYSA-N 342.750 0.807 0 50 ECAA Cc1nc2cncc(N3CCN(C(=O)[C@H]4CCCOC4)CC3)n2n1 328629691 INCUJDUJHCYPEP-ZDUSSCGKSA-N 330.392 0.508 0 50 ECAA CC(C)OCCS(=O)(=O)N1CC[C@@](O)(c2nc(C3CC3)no2)C1 328613666 TUCADWLILRAYQN-AWEZNQCLSA-N 345.421 0.595 0 50 ECAA CCn1cnnc1CNS(=O)(=O)CC1(C(=O)OC)CCCCC1 489093346 AWLWZCWSHUPCLF-UHFFFAOYSA-N 344.437 0.841 0 50 ECAA Cc1cc(C)n(CCCC(=O)N2CCO[C@]3(CNCCOC3)C2)n1 72126397 KABCVZBUNRPJHN-QGZVFWFLSA-N 336.436 0.498 0 50 ECAA CCS(=O)(=O)NCCN1CCN(C2CCN(C)CC2)[C@H](C)C1 371458755 LWZUCGLAJGCQBQ-CQSZACIVSA-N 332.514 0.026 0 50 ECAA Cn1ccnc1[C@@](O)(CCNC(=O)[C@H]1CCCCN1)C(F)(F)F 262404676 AVPJUQMNPJBNGT-MFKMUULPSA-N 334.342 0.818 0 50 ECAA O=C1CN(CC(=O)N2CC[C@@H](n3ncc4ccccc43)C2)C(=O)N1 378585542 VMSGQDRYYUWDSF-GFCCVEGCSA-N 327.344 0.362 0 50 ECAA O=C1NC(=O)[C@@]2(CCC[C@@H]2CNC(=O)c2ccnn2CC(F)F)N1 333316253 OKYXEQXIZABZPF-CLAHSXSESA-N 341.318 0.256 0 50 ECAA CN1CCC[C@H]1C(=O)N1CCN(c2cc(NC3CC3)ncn2)CC1 334021367 DELSWHDJSRANAK-AWEZNQCLSA-N 330.436 0.794 0 50 ECAA COC[C@@H]1C[C@H](OC)CN1C(=O)CN1CCN(c2ccccn2)CC1 284677740 VLZKYTPCTLREER-HOTGVXAUSA-N 348.447 0.466 0 50 ECAA CNS(=O)(=O)c1cccc2c1CCN(C[C@@H](O)C(F)(F)F)C2 284710038 IZENBVADIZZTHU-GFCCVEGCSA-N 338.351 0.876 0 50 ECAA COCCN1C[C@@H](CNC(=O)CN2CCc3ccccc3C2)CC1=O 220324763 YCYSGWFSSFRNAW-OAHLLOKOSA-N 345.443 0.656 0 50 ECAA Cn1c(CO)nnc1[C@H]1C[C@H](NC(=O)Cn2nc3ccccc3n2)C1 222246957 HPTWKMGQHCSAJO-PHIMTYICSA-N 341.375 0.115 0 50 ECAA Cc1ncc(C(=O)N2CC[C@@]3(O)CCN(C(=O)N(C)C)C[C@H]3C2)cn1 91586826 RBHCCFQDYIBGFA-RHSMWYFYSA-N 347.419 0.366 0 50 ECAA C[C@@H]1CCN(C(=O)Cn2ncn(C)c2=O)CCN1Cc1ccccc1 179527421 IPTSKLVBLGERON-OAHLLOKOSA-N 343.431 0.705 0 50 ECAA CCn1ccc(CN2C(=O)N(CCCOC)C3(CCNCC3)C2=O)n1 95369008 FFVPKZVAKQJSHX-UHFFFAOYSA-N 349.435 0.826 0 50 ECAA CN(C)c1cncc(N2CCC[C@H](c3nccn3CC(N)=O)C2)n1 95508812 JWKXFIXTBYBJQW-LBPRGKRZSA-N 329.408 0.608 0 50 ECAA O=C(N[C@@H]1COC[C@H]1O)[C@@H]1COc2ccc(Br)cc21 297001505 QJTZDGTWYUAOSD-GMTAPVOTSA-N 328.162 0.801 0 50 ECAA O=C(N[C@@H]1CCN(Cc2cscn2)C[C@H]1O)c1ncccc1O 299773893 FUSZHGLYSDPMEZ-DGCLKSJQSA-N 334.401 0.609 0 50 ECAA Nc1cc(O)nc(CCNC(=O)[C@@H]2CCCCN2C(=O)C2CC2)n1 299758182 OTRFXPUFPHROLI-NSHDSACASA-N 333.392 0.214 0 50 ECAA NS(=O)(=O)c1ccc(F)c(C(=O)N2CCC(C3(O)CC3)CC2)c1 846333881 WVAQBJLQYKCHDN-UHFFFAOYSA-N 342.392 0.850 0 50 ECAA NS(=O)(=O)N1CCC(Nc2cc(Br)ccn2)CC1 1875286954 OLHRNILLIOJBAP-UHFFFAOYSA-N 335.227 0.924 0 50 ECAA C=CC(=O)N1CC(C(=O)N2CCC(NC(=O)c3cc(C)on3)CC2)C1 1875387839 ZWGNVNILLPWLDZ-UHFFFAOYSA-N 346.387 0.348 0 50 ECAA COC(=O)/C=C/C(=O)N1CC[C@H](C(=O)N(C)C)[C@H](c2ccnn2C)C1 1875379346 QUAWQIPLIHOMSY-JQSFKPKSSA-N 348.403 0.170 0 50 ECAA C[C@@H]1O[C@H](C)Cc2c1nn(C)c2C(=O)NCCN=c1cccn[nH]1 1875314883 YCJGILBOTMTALX-MNOVXSKESA-N 330.392 0.496 0 50 ECAA CN(C[C@H]1OCC[C@H]1c1nc[nH]n1)C(=O)COCc1ccnn1C 952889322 YIAFKSLMXLVNTF-CHWSQXEVSA-N 334.380 0.086 0 50 ECAA Cc1nn2cccnc2c1C(=O)N1CCC(CN2CCNC2=O)CC1 887661378 YYGQAOOBIHNOMQ-UHFFFAOYSA-N 342.403 0.915 0 50 ECAA CNC(=O)[C@@H]1CC(=O)N(C2CN(C(=O)c3cncc(Cl)c3)C2)C1 888098700 SROXCLSYELAAGX-SNVBAGLBSA-N 336.779 0.154 0 50 ECAA O=C(N[C@]1(C(=O)O)CCSC1)[C@H]1CC(=O)N(CC(F)(F)F)C1 271890802 KSHHSYATHYMVPW-WRWORJQWSA-N 340.323 0.474 0 50 ECAA C[C@H]1C(=O)NCCCN1C(=O)c1ccc(CN2CCN(C)CC2)cc1 188097993 QAZNSNQQAUETSJ-HNNXBMFYSA-N 344.459 0.785 0 50 ECAA COCc1noc(CN2CCN(C(=O)[C@H]3CCCO[C@@H]3C)CC2)n1 190718624 VBKWIJUNGCMJKF-OLZOCXBDSA-N 338.408 0.675 0 50 ECAA CCO[C@@H]1CN(C(=O)N[C@H]2CCc3nc(C)ncc3C2)C[C@H]1CN 652124733 PUAOFWFHQWBLJV-IJEWVQPXSA-N 333.436 0.648 0 50 ECAA CCc1nocc1CN1CCO[C@@H](CNc2nccn(C)c2=O)C1 660415264 XXNYFBMTYJCTBB-ZDUSSCGKSA-N 333.392 0.644 0 50 ECAA CCc1csc(CNC(=O)[C@H]2OCC(=O)N[C@@H]2c2cccnc2)n1 1529168247 YMTKOVSFQAAGKW-CABCVRRESA-N 346.412 0.973 0 50 ECAA NC(=O)c1ccc(OCCCN2C[C@]3(C(=O)O)C[C@]3(C(=O)O)C2)cc1 1704325680 PLKAQPVPRIDXQD-CALCHBBNSA-N 348.355 0.416 0 50 ECAA O=C(NCc1n[nH]c2c1CCC2)c1cn(CCN2CCCCC2)nn1 11818859 WEBBEEWLSHTZFM-UHFFFAOYSA-N 343.435 0.906 0 50 ECAA CN(C)S(=O)(=O)c1ccc(CCC(=O)N2CCOCC2)cc1 16647616 SPPPYVFJIOGLID-UHFFFAOYSA-N 326.418 0.728 0 50 ECAA C[C@H]1CN(Cc2nnnn2CC(=O)N2C[C@@H]3CCC[C@H]2C3)C[C@@H](C)O1 19221343 NCHCGMPNNXKGDD-BARDWOONSA-N 348.451 0.683 0 50 ECAA N[C@@H]1C[C@H](C(=O)NCCc2csc(-c3cccnc3)n2)C[C@H]1O 1857708181 JUYCEIHJBQFXMY-IACUBPJLSA-N 332.429 0.962 0 50 ECAA CCCc1nnc(N2C[C@H](C(=O)NCCC(=O)OC)CC2=O)s1 1857741276 LJBICIQZIXPGLJ-SECBINFHSA-N 340.405 0.523 0 50 ECAA CS(=O)(=O)N1CCC(CNC(=O)N[C@H]2CC[C@H](CO)CC2)CC1 407991421 VGNYOFPYYJAYGC-HDJSIYSDSA-N 347.481 0.508 0 50 ECAA NC(=O)[C@]1(O)CCCN(C(=O)C2=Cc3cc(Cl)ccc3OC2)C1 323338096 OSRBLGFOEZCOPL-INIZCTEOSA-N 336.775 0.955 0 50 ECAA Cc1ccc(C(=O)N2C[C@H](N(C)CC(=O)O)[C@H](O)C2)cc1Cl 328604699 KXVJOLZBDUSXID-QWHCGFSZSA-N 326.780 0.850 0 50 ECAA Cn1cnnc1[C@@H]1CN(C[C@@H](O)COCc2ccccc2)CCO1 328627834 GPQDONYLJDHJEZ-CVEARBPZSA-N 332.404 0.766 0 50 ECAA CCCS(=O)(=O)N1CCC[C@H]1C(=O)NC[C@@](C)(O)C(F)(F)F 330502316 BKFDWGZPGHRFCY-GXSJLCMTSA-N 346.371 0.620 0 50 ECAA CN(C)S(=O)(=O)NCCNCc1ccc(OCC2CC2)cc1 239352426 ACCPZRWKOMQVQH-UHFFFAOYSA-N 327.450 0.961 0 50 ECAA CN1CCCN(CC(=O)N2C[C@H](c3ccncc3)[C@@H](C(=O)O)C2)CC1 248138918 PNUAUWTUPQHECU-CVEARBPZSA-N 346.431 0.346 0 50 ECAA COCCN(C)c1ccc(CN2CC[C@@](O)(Cn3ccnn3)C2)cn1 671492570 UHGXXGOWPVXSTO-KRWDZBQOSA-N 346.435 0.393 0 50 ECAA C[C@H](C(=O)O)[C@@H](C)NC(=O)CCNS(=O)(=O)c1ccc(F)cc1 263445298 NFDVVPKXPFVEGR-VHSXEESVSA-N 346.380 0.720 0 50 ECAA Cc1c(C(=O)N2C[C@H]3COC[C@@H]2CN(C)C3)cnn1-c1ccccn1 1704337721 YNKWGRZJFNZWMN-GJZGRUSLSA-N 341.415 0.978 0 50 ECAA CNC(=O)[C@H]1Cn2c(C)nnc2CN1C(=O)c1cc(F)ccc1OC 818368295 YFQGLAJANRJXOW-GFCCVEGCSA-N 347.350 0.505 0 50 ECAA CC(C)(C)OC(=O)N1CCN(C2CN(S(=O)(=O)C3CC3)C2)CC1 1259274781 DGFKDMVWBBBXJE-UHFFFAOYSA-N 345.465 0.716 0 50 ECAA NS(=O)(=O)N1CCC(NC(=O)Nc2ncc(C3CC3)s2)CC1 2325869963 DHBFWUHSNKVPAT-UHFFFAOYSA-N 345.450 0.810 0 50 ECAA COc1ccc(F)cc1C(=O)N1CCC2(CC1)C[C@@H](O)[C@@H](O)CO2 2356144176 LVCNXEDRAOGYRH-KGLIPLIRSA-N 339.363 0.951 0 50 ECAA O=C(CN1CCC[C@@](O)(Cn2ccnn2)C1)NCc1ccccc1 343925549 IULYBWJZQRCGJY-KRWDZBQOSA-N 329.404 0.421 0 50 ECAA O=C(O)COc1ccc(S(=O)(=O)N[C@H]2CCOC2)cc1Cl 346074390 OLBPAOLWBFRFMY-QMMMGPOBSA-N 335.765 0.871 0 50 ECAA CN1CCN(Cc2ncccn2)C[C@]12CCC(=O)N(CC(=O)O)CC2 107650371 VYNMTZVTMXQUAS-QGZVFWFLSA-N 347.419 0.060 0 50 ECAA 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N=c1nc(O)c2c([nH]1)C1(CC2)CCN(C(=O)CCn2cnnc2)CC1 1857736143 MUXLRLWZZOIZLA-UHFFFAOYSA-N 343.391 0.083 0 50 ECAA COc1cc(NC(=O)N2CCC[C@H](S(C)(=O)=O)CC2)ncn1 332271064 GPLPOZZBOVFUJS-JTQLQIEISA-N 328.394 0.916 0 50 ECAA Cc1n[nH]cc1S(=O)(=O)N1C[C@H](C(=O)O)[C@@H](C(F)(F)F)C1 656165154 YLAYQOLKKMLFCB-BQBZGAKWSA-N 327.284 0.602 0 50 ECAA C[C@H](NC(=O)c1ccc(=O)n(C)n1)[C@@H](Cc1ccccc1)C(=O)O 455932031 JBEGXFDFJGKHAN-WCQYABFASA-N 329.356 0.842 0 50 ECAA CN1CCO[C@@H]2CCN(C(=O)NCCCOC[C@H]3CCOC3)C[C@@H]21 252497482 QJCMEJFJCDKFAX-OWCLPIDISA-N 341.452 0.544 0 50 ECAA NS(=O)(=O)N1CCC(NC(=O)C/C=C/Cc2ccccc2)CC1 912756602 PEYHBCGEUPDZSG-SNAWJCMRSA-N 337.445 0.960 0 50 ECAA CC(C)C[C@@H]1C(=O)NCCCN1C(=O)C[C@@H]1SC(=N)NC1=O 817801238 GTLLOIZQVAIBNG-ZJUUUORDSA-N 326.422 0.306 0 50 ECAA C/C=C(\C)C(=O)N[C@@H]1CN(C(=O)Cc2c[nH]c3cnccc23)C[C@@H]1O 1719263346 DVSAOYHOTANLJE-TYBJXXNJSA-N 342.399 0.760 0 50 ECAA C[C@@H]1[C@H](C(F)(F)F)OCCN1C(=O)C[C@]1(C)CCS(=O)(=O)N1 825463714 QYUWBLXPFNSYKT-IEBDPFPHSA-N 344.355 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COC(=O)c1ccc(N2CCC(C(=O)Nc3nncs3)CC2)nn1 253398605 XVKFALAPDBXRRG-UHFFFAOYSA-N 348.388 0.970 0 50 ECAA C[C@]1(C(=O)N2CC(S(=O)(=O)NC3CCCC3)C2)CCCOC1 329447833 LLEUTOITLHZYSY-HNNXBMFYSA-N 330.450 0.876 0 50 ECAA COc1ccccc1CN1CCN(C(=O)CCS(C)(=O)=O)CC1 76466222 DLYZLLWQUWDYES-UHFFFAOYSA-N 340.445 0.774 0 50 ECAA Cn1nncc1S(=O)(=O)N[C@H]1CCCN(c2ccccc2F)C1 330074397 FPDJWJHYHHWXRN-NSHDSACASA-N 339.396 0.902 0 50 ECAA CN[C@H]1CCCN(C(=O)Cc2cccc(NS(C)(=O)=O)c2)C1 261739774 NVKLQCCPVRMHGD-AWEZNQCLSA-N 325.434 0.811 0 50 ECAA CCNC(=O)N1CCN(Cc2cccnc2)[C@@H]2CS(=O)(=O)C[C@@H]21 77394243 SEUXLOTWMAPHRJ-KGLIPLIRSA-N 338.433 0.094 0 50 ECAA CO[C@]1(C)C[C@H](NC(=O)C(=O)N[C@@H]2CCc3nc(C)nn3C2)C1(C)C 341635216 HVWSIHZWLJCLLM-BWACUDIHSA-N 349.435 0.337 0 50 ECAA C[C@H](NC(=O)[C@@H]1C[C@H]1C(=O)O)c1ccccc1NS(C)(=O)=O 262484578 AYMXNTCTLVMHRQ-JMJZKYOTSA-N 326.374 0.956 0 50 ECAA CS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)O)cn1 262480682 RJHKNRDURHWAFT-JTQLQIEISA-N 348.402 0.113 0 50 ECAA 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0.470 0 50 ECAA Cc1cc(C(=O)N[C@@H]2CO[C@@H]3[C@H](O)CO[C@H]23)c2ccc(F)cc2n1 1875245661 KKEIOLDVHURXKB-KLHDSHLOSA-N 332.331 0.939 0 50 ECAA CN(C)C[C@@H]1CN(C(=O)c2csc(-c3cnn(C)c3)n2)CCO1 116791433 VGSKDGVDPKQPDW-GFCCVEGCSA-N 335.433 0.946 0 50 ECAA CN1CC[C@@H]2CN(C(=O)c3nn(C)cc3Cl)C[C@]2(C(=O)O)C1 248147611 SIADGALSDUYEPV-YMTOWFKASA-N 326.784 0.552 0 50 ECAA O=C(COc1ccc(Cl)cc1)N1CC[C@@](O)(Cn2ccnn2)C1 671499132 CIIKXKYUZCUHGA-HNNXBMFYSA-N 336.779 0.974 0 50 ECAA CS(=O)(=O)c1ccc(OCCC(=O)N2CCC[C@H]2C(=O)O)cc1 262703903 LQTKBBKEYGOQRF-ZDUSSCGKSA-N 341.385 0.935 0 50 ECAA Cn1cnc(S(=O)(=O)NC2CCN(CC(F)(F)F)CC2)c1 263923273 FEKCWNMCMFLLFC-UHFFFAOYSA-N 326.344 0.725 0 50 ECAA C[C@H]1C(=O)Nc2cc(C(=O)N3CCN(C)C[C@@H]3CO)ccc2N1C 912742989 MSPITUHCAYSIMR-WCQYABFASA-N 332.404 0.212 0 50 ECAA O=C(Cc1cnc[nH]1)N1CC[C@@H](O)[C@@](CO)(Cc2ccccc2)C1 2100477263 XPZXGGRFQNNXBZ-AEFFLSMTSA-N 329.400 0.767 0 50 ECAA C[S@@](=O)CCNC(=O)c1cc(Br)cc2nn[nH]c12 2325700619 ATRJTHLAGGJMTL-GOSISDBHSA-N 331.195 0.829 0 50 ECAA C[C@@H](Cc1ccccc1F)NC(=O)C(=O)N(C)CCN1CCCC1=O 2325707904 XOZQKMSKSXOREH-ZDUSSCGKSA-N 349.406 0.954 0 50 ECAA CCN(C[C@H]1CCCN1CC)C(=O)[C@@]1(OC)CCS(=O)(=O)C1 2325762183 PAWOAJYLDACVAJ-UKRRQHHQSA-N 332.466 0.523 0 50 ECAA C[C@H](NC(=O)c1ccc2c(c1)nc(CO)n2C)c1nc([C@@H](C)O)n[nH]1 2325852256 XLTGNMTUWMQSRR-DTWKUNHWSA-N 344.375 0.728 0 50 ECAA COC(=O)[C@H](C)NC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 305137 LHZYEWHNHVTBKF-NSHDSACASA-N 340.401 0.762 0 50 ECAA O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@H]1CCCO1 617952 NOQSTKMZHLUBSK-CQSZACIVSA-N 340.401 0.825 0 50 ECAA O=C(c1cc(-c2ccccn2)[nH]n1)N1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 2356135230 UWTLGFYZOJPWJD-IINYFYTJSA-N 332.385 0.731 0 50 ECAA CN1CCC(C(=O)N2C[C@@H]3CNC(=O)[C@@H]3C2)(c2ccccc2)CC1 2356166284 QTNQJELBKDTOMB-GOEBONIOSA-N 327.428 0.854 0 50 ECAA c1cnc(N2CCC(n3cc(CN4CCOCC4)nn3)CC2)nc1 23429873 VPXVMJXHDIMJRU-UHFFFAOYSA-N 329.408 0.742 0 50 ECAA Cc1nc(C)c(CC(=O)N2CCC3(CCNC(=O)CC3)CC2)c(=O)[nH]1 67788622 RCSQVPASIFYOEM-UHFFFAOYSA-N 346.431 0.838 0 50 ECAA Cc1nonc1OCCn1cnc2sc3c(c2c1=O)CCNC3 65465773 DPVCCVWIWBWQAY-UHFFFAOYSA-N 333.373 0.874 0 50 ECAA CN(CC(=O)N1C[C@H](O)C[C@@H]1c1cccc(F)c1)S(C)(=O)=O 282474668 IQSLXOLMZSVBLQ-CHWSQXEVSA-N 330.381 0.351 0 50 ECAA C[C@@H]1CN(C(=O)c2cncc(-n3ccnn3)c2)CCN1CC(C)(C)O 283005953 GVTLEFNHABNPJF-CYBMUJFWSA-N 344.419 0.580 0 50 ECAA Cc1nc(N)ncc1C(=O)NC[C@@H](c1ccccn1)N1CCOCC1 215388668 XJDXBVBQHWUNAP-HNNXBMFYSA-N 342.403 0.566 0 50 ECAA Cc1nc(CN2CCN(CC(=O)N3CCOC[C@H]3C3CC3)CC2)no1 367285389 KGLXORJDIATOPL-HNNXBMFYSA-N 349.435 0.133 0 50 ECAA COCCn1nnnc1[C@@H]1CN(Cc2ccnc(C(C)C)n2)CCO1 216526139 GXQAIEQAJQOTJK-AWEZNQCLSA-N 347.423 0.806 0 50 ECAA O=C1CC[C@H](NC(=O)c2cn3ccccc3n2)[C@@H]([C@@H]2CCCO2)N1 368194090 HJAATIMWURHQSL-RBOXIYTFSA-N 328.372 0.890 0 50 ECAA O=C(Cn1cc2ccccc2n1)NC[C@H]1CCC[C@@]12NC(=O)NC2=O 332954619 COZUJEXEYVLCQN-SJKOYZFVSA-N 341.371 0.531 0 50 ECAA Cc1cc(C)n2nc(CC(=O)NCc3nnc4n3CCC4)nc2n1 77324067 ZPWPEAQOZIMZEZ-UHFFFAOYSA-N 326.364 0.138 0 50 ECAA Cc1cc2c(cc1C)[C@H](C(=O)N1CCCN(CC(N)=O)CC1)CO2 373501816 SJDVGLCWRLLDLK-OAHLLOKOSA-N 331.416 0.799 0 50 ECAA CCNC(=O)N1CCC(c2nnc(CN3CCOCC3)n2C)CC1 77389709 JHVZLGWEOZGKIO-UHFFFAOYSA-N 336.440 0.556 0 50 ECAA CCC(CC)NC(=O)Cn1c(=O)oc2cc(S(N)(=O)=O)ccc21 342545553 LKHCLVFSHOLKSH-UHFFFAOYSA-N 341.389 0.547 0 50 ECAA CC(=O)Nc1cccc(NC(=O)CCC(=O)N2CCNC(=O)C2)c1 40266546 PMGVPILPMCVPAY-UHFFFAOYSA-N 332.360 0.322 0 50 ECAA Cc1nn(C)c(C)c1CCNC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 178117751 WVBQZDCFXIEFKM-LBPRGKRZSA-N 330.392 0.472 0 50 ECAA Cc1[nH]nc2c1CN(C(=O)Cn1ccc([C@@H]3CCCNC3)n1)CC2 426545232 WWQXRKJTKVTGLH-CYBMUJFWSA-N 328.420 0.967 0 50 ECAA CNc1nc(C)cc(N2C[C@H](C(C)C)[C@@H](NS(C)(=O)=O)C2)n1 92020134 SNMHWOCXNQLSDK-NEPJUHHUSA-N 327.454 0.837 0 50 ECAA CC[C@H](C)[C@H](CO)NC(=O)CCc1c(C)[nH]c2cc(=O)[nH]n2c1=O 230274688 HYNYKFOMMSWFBJ-CABZTGNLSA-N 336.392 0.080 0 50 ECAA O=C(O)[C@@H]1Cc2[nH]cnc2CN1C(=O)Cn1c(=O)oc2ccccc21 96167003 BYBWNDDGYQRRDN-LBPRGKRZSA-N 342.311 0.356 0 50 ECAA Nc1nc(N2CCN(c3ccncc3)CC2)cc([C@H]2C[C@@H](N)C2)n1 244858399 VKLDBEVMFZXSMQ-BETUJISGSA-N 325.420 0.985 0 50 ECAA O=C(N[C@@H]1CCCN(Cc2c(F)cccc2F)C1)[C@@H]1C[C@H](O)CN1 299748303 GUXQUPXYVULWHA-WQGACYEGSA-N 339.386 0.768 0 50 ECAA O=C(Cc1cnc2ccccn12)N1CC[C@@H]2OCc3cnnn3[C@H]2C1 299761962 CKIMMISHWSXBQI-GJZGRUSLSA-N 338.371 0.841 0 50 ECAA Cc1c(C(=O)NC2(C(N)=O)CCCCCC2)cnc2cc(=O)[nH]n12 299779606 PCJVGQFQHXHBET-UHFFFAOYSA-N 331.376 0.639 0 50 ECAA C[C@@H](C(=O)N1CCN(CCn2cncn2)CC1)n1cc(Cl)cn1 299779809 ANIFJPCUJZXBMF-LBPRGKRZSA-N 337.815 0.533 0 50 ECAA CC1(C)CN(C(=O)C2(n3ccnn3)CC2)C[C@H]1NC(=O)C12CC(C1)C2 1875343116 RCUJNAIPQUDTLW-UIORMTCPSA-N 343.431 0.921 0 50 ECAA O=C(N1CCc2c(O)nc(O)nc2C1)C(F)(F)C[C@@H]1CCCO1 1875310458 QDTPHFQISZMBRD-QMMMGPOBSA-N 329.303 0.977 0 50 ECAA CO[C@@H]1CCN(Cc2cn(C)nc2C(=O)NCCCn2ccnc2)C1 952887129 XYKXHHCGRLFQQY-OAHLLOKOSA-N 346.435 0.657 0 50 ECAA CN1CCn2ncc(CNS(=O)(=O)C[C@H]3CCC3(F)F)c2C1 952890245 QKCBRBKMVGPNNR-LLVKDONJSA-N 334.392 0.793 0 50 ECAA NC(=O)[C@@]1(NC(=O)c2cn(-c3cccc(Cl)c3)cn2)CCOC1 1875266986 JRGUFUYCMQQLNO-OAHLLOKOSA-N 334.763 0.900 0 50 ECAA O=C(c1cc(O)nc(C2CC2)n1)N1CCN(c2ccnnc2)CC1 1875284984 XYKDLSABHNIFBV-UHFFFAOYSA-N 326.360 0.812 0 50 ECAA COCCn1cnnc1CN(C)C(=O)c1ccc(-c2nc[nH]n2)cc1 952968179 IUHUNMCDYDLZIS-UHFFFAOYSA-N 341.375 0.982 0 50 ECAA COCCN(Cc1ccccc1F)C(=O)CC[C@@H]1NC(=O)NC1=O 952985532 CDWNXOMZCGLWPG-ZDUSSCGKSA-N 337.351 0.789 0 50 ECAA O=C1NC(=O)[C@H](CCC(=O)N2CCC(N3CCSCC3)CC2)N1 952965939 HBQCOWAQPJDUKZ-LBPRGKRZSA-N 340.449 0.014 0 50 ECAA CO[C@@H]1C[C@H](c2ncc[nH]2)N(S(=O)(=O)c2cn(C)nc2C)C1 888077498 FBCKPFHATZCSFM-GHMZBOCLSA-N 325.394 0.602 0 50 ECAA COC[C@@H](OC)C(=O)N(CCO)Cc1cncc(Br)c1 1775999670 UROOTRBIKYRFQG-GFCCVEGCSA-N 347.209 0.826 0 50 ECAA Cc1cc(C(=O)N[C@H]2CCN(Cc3nc(C(C)C)no3)C[C@@H]2O)no1 1090029789 GYSIDKZWONJVES-AAEUAGOBSA-N 349.391 0.855 0 50 ECAA CN(C)C(=O)NCC(=O)N1C[C@H]2c3ccccc3OC[C@@]2(C(=O)O)C1 1073275710 KHKABBGAPBEATI-SJCJKPOMSA-N 347.371 0.347 0 50 ECAA O[C@H](CN1CCN(c2ccc(-c3nn[nH]n3)cc2F)CC1)C1CC1 738383046 VGGPNXSOFDHZLF-OAHLLOKOSA-N 332.383 0.899 0 50 ECAA COc1ccc(CN2C[C@@H](C(=O)OC[C@@H]3CCNC3=O)CC2=O)cc1 774704173 IJEHQOBFUUFYEM-KBPBESRZSA-N 346.383 0.723 0 50 ECAA CCn1nc(C)c(CN2CCCN(C(=O)Cn3cnnn3)CC2)c1C 1775979381 UVAJOPUMLXZZDI-UHFFFAOYSA-N 346.439 0.241 0 50 ECAA CN1CCOC[C@@]1(CO)CNC(=O)c1cn(C)nc1-c1ccco1 1857533122 STIWNAHAXLZXEX-INIZCTEOSA-N 334.376 0.103 0 50 ECAA Cn1nc(-c2ccccc2)c2c1CCN(C(=O)CNC(N)=O)CC2 1857667706 IOZRCBKQICHOMY-UHFFFAOYSA-N 327.388 0.683 0 50 ECAA O=C(CN1CCCC[C@H](O)C1=O)N1CCN(c2ccc(F)cc2)CC1 644242796 UZYPRWNWWMIZAL-INIZCTEOSA-N 349.406 0.848 0 50 ECAA CC1(CS(=O)(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C2)COC1 496805250 TVOOPCHIULYDHR-NSHDSACASA-N 334.438 0.952 0 50 ECAA Nc1ncc2c(n1)[C@]1(CCCN(CC(=O)N3CCOCC3)C1)CC2 1704326482 XWKYJYUXQVQRPO-QGZVFWFLSA-N 331.420 0.197 0 50 ECAA COCCOCCNC(=O)[C@@]1(O)CCCN(C(=O)OC(C)(C)C)C1 408523881 VVNGXRCNJHARFZ-MRXNPFEDSA-N 346.424 0.528 0 50 ECAA O=C(N[C@H]1C[C@H](C(=O)NCCCn2ccnc2)C[C@@H]1O)c1ccc[nH]1 2100545558 WKLBIRKCYKKNIA-QEJZJMRPSA-N 345.403 0.287 0 50 ECAA Nc1nnc(SCC(=O)NCCNC(=O)c2cccnc2)s1 55166947 PCBXHMZJLOLTRP-UHFFFAOYSA-N 338.418 0.154 0 50 ECAA CCn1c([C@H]2CCCN(Cc3c[nH]cn3)C2)nn(CCN(C)C)c1=O 67675330 QDXUMSXXSSKQGJ-AWEZNQCLSA-N 347.467 0.729 0 50 ECAA CC[C@H](O)CN1CCN(C(=O)c2ccccc2Cn2cncn2)CC1 173106074 RPKUOUIXGYFZHH-INIZCTEOSA-N 343.431 0.855 0 50 ECAA COc1ccccc1CCNC(=O)CN1C[C@H]2C[C@H](O)[C@H](O)C[C@H]2C1 72173665 SQIHQMAPMGPOEA-ZYGGUILKSA-N 348.443 0.418 0 50 ECAA C[C@@H](O)CN1CCC(CN(C)C(=O)[C@@H](C)N2CCN(C)CC2)CC1 330630611 DEMYRPRSWWAGBR-HZPDHXFCSA-N 340.512 0.174 0 50 ECAA COc1cc(C(=O)NC[C@H]2CCN(c3cnn(C)c(=O)c3)C2)ccn1 77522589 KZTJSWLILNOMDR-GFCCVEGCSA-N 343.387 0.440 0 50 ECAA CN(Cc1nncn1C)S(=O)(=O)c1ccc(C(=O)O)c(Cl)c1 286963719 BOOCEHFMJLDQSP-UHFFFAOYSA-N 344.780 0.987 0 50 ECAA O=C(c1cn([C@@H]2CCCNC2)nn1)N1CCC[C@H](Cn2ccnn2)C1 333460291 GIWZGPOODUEYHE-UONOGXRCSA-N 344.423 0.347 0 50 ECAA CNC(=O)COc1ccc(C(=O)N2CCC[C@@H](NC)C2)cc1OC 261732730 NBQGEASZCPQVIA-CYBMUJFWSA-N 335.404 0.644 0 50 ECAA Cc1nnnn1-c1cccc(C(=O)N2CC[C@](O)(CN(C)C)C2)c1 72144560 VQBHWVZEJUVELY-INIZCTEOSA-N 330.392 0.109 0 50 ECAA Cc1c([C@@H]2[C@@H](C(=O)N(C)Cc3cnccn3)CC(=O)N2C)cnn1C 372958718 PJNKLDHFSPBMDC-BBRMVZONSA-N 342.403 0.697 0 50 ECAA C[C@@H](c1nnnn1C)N1CCN(c2nnnn2-c2ccccc2)CC1 241515628 OGPZKVNMZSZHNT-LBPRGKRZSA-N 340.395 0.069 0 50 ECAA COc1ccc(S(C)(=O)=O)cc1C(=O)N1CCOC[C@H]1C(=O)O 263240790 DXAPYHSFYDCQOS-NSHDSACASA-N 343.357 0.024 0 50 ECAA CC(=O)NC[C@@H]1CN(C(=O)C2(c3ccccc3)CCNCC2)CCO1 178136646 SIVBDBLWQJLUQC-QGZVFWFLSA-N 345.443 0.671 0 50 ECAA Cc1cc(C(=O)N[C@H](C)c2n[nH]c(CC(=O)O)n2)c(=O)n(C)c1C 426546222 PENNMFPAOPSJHJ-MRVPVSSYSA-N 333.348 0.238 0 50 ECAA COCCc1nc(-c2ccccc2-n2cncn2)n(CC(=O)O)n1 96152381 URQYYHKBQIXXNW-UHFFFAOYSA-N 328.332 0.799 0 50 ECAA COc1cc2c(cc1CNC(=O)[C@@H]1CCC(=O)NC(=O)N1)CCC2 97301452 UKMFTIYXAFHFSX-ZDUSSCGKSA-N 331.372 0.788 0 50 ECAA 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336.344 0.867 0 50 ECAA Cc1ccc(N([C@@H](C)C(=O)N2CCN(C)CC2)S(C)(=O)=O)cc1 20029396 LKRQBMPAJNJRCX-AWEZNQCLSA-N 339.461 0.924 0 50 ECAA O=C(NCCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)c1cccc(O)n1 328715347 CTSOTIRQFRRLNM-DUBDDPSESA-N 327.340 0.324 0 50 ECAA NC(=O)N[C@H](Cc1ccccc1)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 363690020 HJNXUFAXEDMAAX-BZUAXINKSA-N 346.431 0.245 0 50 ECAA Cc1ccc(S(=O)(=O)NC(=O)[C@@H]2CC[C@H](C(=O)O)O2)cc1C 863952069 JCPHXBZFQGYQNW-NWDGAFQWSA-N 327.358 0.741 0 50 ECAA Cc1nc(CC(=O)N2CCOC[C@](O)(CN3CCCC3)C2)cs1 77356482 IOXYMSSWKGLWTN-INIZCTEOSA-N 339.461 0.680 0 50 ECAA COCCn1cnnc1CCNC(=O)[C@H](O)c1ccc(Cl)cc1 219588508 OBOZYDKFMZIXJP-CQSZACIVSA-N 338.795 0.970 0 50 ECAA O=C(C[C@@H]1C(=O)NCCN1Cc1cccc(F)c1)NCc1ccon1 72130658 RWMZTVQYWWBPHD-OAHLLOKOSA-N 346.362 0.821 0 50 ECAA NS(=O)(=O)CCN1CCN(C(=O)c2cccc3c2CCC3)CC1 176068293 YIBXACKEGOLRNV-UHFFFAOYSA-N 337.445 0.222 0 50 ECAA CC(=O)Nc1nc(CN2CCN(c3cnn(C)c3)C(=O)C2)cs1 177448027 VGAFRHZNNKADCI-UHFFFAOYSA-N 334.405 0.684 0 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344.297 0.870 0 50 ECAA O=C(Cc1ccc(F)cc1)N1CCCN(C(=O)Cn2cnnn2)CC1 940190875 AABFWODRSXGEHZ-UHFFFAOYSA-N 346.366 0.116 0 50 ECAA COc1nc(C)ccc1C(=O)N1CCC[C@@](O)(Cc2nncn2C)C1 886084856 LPTZOQDCIDESOE-QGZVFWFLSA-N 345.403 0.737 0 50 ECAA COc1ccc(S(=O)(=O)N[C@@H]2C[C@@H](O)C23CCOCC3)cn1 888098723 KRRGTMDXDHIMHH-VXGBXAGGSA-N 328.390 0.299 0 50 ECAA COc1ncc(CNC(=O)N2CCO[C@@H](C(=O)O)C2)cc1Cl 1775988669 HLEYSLUQVQVGGE-SNVBAGLBSA-N 329.740 0.739 0 50 ECAA COCCn1nnnc1N1CCN(C(=O)c2ccc(F)cc2)CC1 1776000080 VZJOERADQXNJES-UHFFFAOYSA-N 334.355 0.421 0 50 ECAA NC(=O)C(F)(F)[C@@]1(O)CCN(C(=O)COc2ccccc2Cl)C1 1776006008 LPNRDWPYBULHFD-CYBMUJFWSA-N 348.733 0.803 0 50 ECAA CCO[C@H]1COCC[C@@H]1NC(=O)c1cnc2c(O)cccn2c1=O 1565526412 ZRVABSHPSVZZOG-AAEUAGOBSA-N 333.344 0.324 0 50 ECAA CNS(=O)(=O)c1ccc(C(=O)N[C@H]2CN(C3CC3)C[C@H]2C)cn1 274593985 IXAAEZQIZDFCKU-MFKMUULPSA-N 338.433 0.202 0 50 ECAA CC(=O)N[C@H]1CCCN(C(=O)CN2CCC(Cn3cncn3)CC2)C1 186204956 UVLCNUWOEDERGO-INIZCTEOSA-N 348.451 0.117 0 50 ECAA CN1C[C@@H]2CC[C@H](C1)CN2C(=O)c1cnc2c(O)cccn2c1=O 1073400076 DQNWABONJVHVHS-NEPJUHHUSA-N 328.372 0.566 0 50 ECAA O=C1CC[C@H](C(=O)NC[C@H]2CSCCN2Cc2ccccc2)N1 277413001 UDYFWHZZXRLZSL-LSDHHAIUSA-N 333.457 0.999 0 50 ECAA O=C(N[C@@H]1CNc2ccccc2C1)[C@H]1C[C@@H](O)CN1c1ccncn1 638386684 SKZDVISCNYGEIW-SQWLQELKSA-N 339.399 0.569 0 50 ECAA CC1CCN(Cc2nnnn2CC(=O)N2CCN3CCC[C@@H]3C2)CC1 12593162 ZCMJHYYMBVQSNJ-OAHLLOKOSA-N 347.467 0.212 0 50 ECAA COc1ccc(S(=O)(=O)N2CCN(c3cncc(N)n3)CC2)cc1 1857676311 FHTNAAKGFPAFPB-UHFFFAOYSA-N 349.416 0.578 0 50 ECAA C/C=C(\C)CN1C[C@@H]2COC[C@]2(C(=O)NCCc2ccnn2C)C1 1857694646 TUIVUCKUGDLVHS-UPJFGJQXSA-N 332.448 0.993 0 50 ECAA Cc1c(NC(=O)c2cn3c(n2)CCNCC3)c(N2CCCC2)nn1C 1857723159 XGWOVMDUNWHFSP-UHFFFAOYSA-N 343.435 0.923 0 50 ECAA Cn1cc([C@@H]2CN(CC(=O)NCc3ccccc3)C[C@H]2CO)cn1 225534145 XALNVHKXRGLKPG-IRXDYDNUSA-N 328.416 0.744 0 50 ECAA Cc1c(C(N)=O)sc2ncn(CC(=O)N3CCCCC3)c(=O)c12 5237238 MGUURMKZHFZJMN-UHFFFAOYSA-N 334.401 0.878 0 50 ECAA C[C@H]1CN(C(=O)N[C@@H]2CCCN(Cc3nccn3C)C2=O)CCO1 679952627 JAWVWCLKXKRDAL-QWHCGFSZSA-N 335.408 0.341 0 50 ECAA CN(C)c1noc([C@@H]2CCCN2Cc2cc(=O)n3nccc3[nH]2)n1 374530937 OVTVEGZMQVNELD-NSHDSACASA-N 329.364 0.809 0 50 ECAA NC(=O)[C@@H]1CCCN(C(=O)CN2CCN(c3ccc(F)cn3)CC2)C1 378467330 RIJFLSPRHHUEDO-CYBMUJFWSA-N 349.410 0.067 0 50 ECAA CNC(=O)c1cc(S(=O)(=O)NCc2ccc3nonc3c2)cn1C 1666604217 NVYOXAODZUXHCS-UHFFFAOYSA-N 349.372 0.399 0 50 ECAA O=C(O)CN1CCCC[C@H](NC(=O)[C@@H]2OCCc3ccccc32)C1=O 902427272 BSTFXMDELPPXFY-GOEBONIOSA-N 346.383 0.882 0 50 ECAA COc1ccc2ncc(C(=O)N(CCS(C)(=O)=O)C3CC3)n2n1 831086873 HSEOQTQTJRARCF-UHFFFAOYSA-N 338.389 0.387 0 50 ECAA Cn1cc(Br)c(C(=O)N2CCn3ncnc3C2)cc1=O 935443153 YZVMRHUYPLRWQN-UHFFFAOYSA-N 338.165 0.395 0 50 ECAA COc1cc(C(=O)N[C@@H]2C[C@H]2NC(=O)C2(O)CCCCC2)ncn1 2325870284 QNCCIAVCIBDEFQ-GHMZBOCLSA-N 334.376 0.167 0 50 ECAA CS(=O)(=O)N(CC(=O)N1CCOCC1)Cc1ccc(Cl)cc1 2870647 WOAFHJLEEKBJED-UHFFFAOYSA-N 346.836 0.960 0 50 ECAA O=C1CC[C@H](C(=O)N2CCc3nc(-c4ccccc4)nn3CC2)N1 2356167708 ZBPBDSFNYMGITP-CYBMUJFWSA-N 325.372 0.608 0 50 ECAA O=C(CC1CCN(C[C@H](O)CN2CCCC2=O)CC1)N1CCCC1 111683756 ZHMQRPUGUHKKJN-INIZCTEOSA-N 337.464 0.694 0 50 ECAA CC(=O)c1cccc(C(=O)N[C@H]2C[C@H]3C(=O)N(C)CC(=O)N3C2)c1 67695071 FYYPLLBCWNOWFV-KBPBESRZSA-N 329.356 0.061 0 50 ECAA NC[C@@H]1CN(c2nc(-c3cccnc3)nc3c2CCNCC3)CCO1 65405186 KLXNLTCWYNZWLZ-CQSZACIVSA-N 340.431 0.391 0 50 ECAA CC(=O)c1cc(C(=O)N[C@@H]2CCCN(C3CCN(C)CC3)C2)n[nH]1 20540646 DNJATBIUNVUERG-CYBMUJFWSA-N 333.436 0.901 0 50 ECAA Cc1[nH]c2c(c1C(=O)N1CCN3CCNC(=O)[C@@H]3C1)C(=O)CCC2 67880586 CJRIBLSBKJQWDZ-LBPRGKRZSA-N 330.388 0.098 0 50 ECAA C[C@@H]1CN(Cc2ccccc2)C[C@H]1NCC1CN(S(C)(=O)=O)C1 249430980 GZBMFWTUGIWVQO-RHSMWYFYSA-N 337.489 0.988 0 50 ECAA O=C(c1cn[nH]n1)N1CCc2nnc(CCc3ccccc3)n2CC1 72126513 AARHQGOTFASBDO-UHFFFAOYSA-N 337.387 0.880 0 50 ECAA NC(=O)c1cncc(N2CCN(Cc3ccc(Cl)nc3)CC2)n1 67982982 MDFFJQVCWJTJBS-UHFFFAOYSA-N 332.795 0.946 0 50 ECAA COCCN(C)C(=O)C[C@H]1C(=O)NCCN1C/C=C/c1ccccc1 72163866 AZDHDGNGKNHKKP-NADMHLTPSA-N 345.443 0.995 0 50 ECAA COCCn1ccc(C(=O)N2Cc3ccccc3C[C@H]2C(N)=O)n1 363884962 BTLZLSMSTRIYMX-HNNXBMFYSA-N 328.372 0.582 0 50 ECAA Cc1cc(CC(=O)N2CCO[C@H](c3ccnc(N(C)C)n3)C2)n[nH]1 369604317 UDKDNOIHSUWXPF-AWEZNQCLSA-N 330.392 0.717 0 50 ECAA Cc1nc(CN(C)C(=O)CCN(C)[C@@H]2CCS(=O)(=O)C2)cs1 216194275 XGYPZKMNNFRHDP-CYBMUJFWSA-N 345.490 0.919 0 50 ECAA CC(=O)N1CCN(C(=O)CN2CCC[C@@H](c3nccn3C)C2)CC1 370722757 DPHGDANGHYGWFR-OAHLLOKOSA-N 333.436 0.290 0 50 ECAA COCC(=O)N1CCN(c2nc(C)nc3c2CCC3)C[C@@H](C(=O)O)C1 219620000 CUKWEEFJDZIHIK-LBPRGKRZSA-N 348.403 0.270 0 50 ECAA CN1C[C@@H](NC(=O)[C@H]2CCCN(C(=O)Cc3ccccc3)C2)CC1=O 332801952 YSBJTUUSRGGTFD-HOTGVXAUSA-N 343.427 0.815 0 50 ECAA CN(C)Cc1nnc([C@@H]2CCCN(c3nc(C(N)=O)cs3)C2)n1C 77486123 YXSUEIRKWOYXJP-SNVBAGLBSA-N 349.464 0.816 0 50 ECAA O=C(NCc1noc(Cc2ccccc2)n1)c1cn2c(n1)CNCC2 72167174 JRHCCOWEVMRSGM-UHFFFAOYSA-N 338.371 0.890 0 50 ECAA Cc1cccc(C)c1OCCNC(=O)CN1C[C@H](F)C[C@H]1C(N)=O 285623855 ZEUPZGMIGJFYEO-KGLIPLIRSA-N 337.395 0.696 0 50 ECAA CN1CCN(C(=O)c2nccnc2C(N)=O)C[C@H]1Cc1ccccc1 285785995 OBDUYCYUGUAWMB-CQSZACIVSA-N 339.399 0.574 0 50 ECAA Cn1cc([C@@H](NC(=O)c2ccn3cnnc3c2)[C@H]2C[C@@H](O)C2)cn1 223746660 AAOOAZOQNDYVEF-WHOFXGATSA-N 326.360 0.705 0 50 ECAA C[C@H](CN1CCOCC1)NCC1CCN(c2cnn(C)c(=O)c2)CC1 82039297 VZEFCBGNUHSZKJ-OAHLLOKOSA-N 349.479 0.307 0 50 ECAA CO[C@]1(C)C[C@H](NC(=O)C(=O)N[C@H]2CCc3nc(C)nn3C2)C1(C)C 341635218 HVWSIHZWLJCLLM-NVGCLXPQSA-N 349.435 0.337 0 50 ECAA O=C(Nc1nc2ccccn2n1)N1CC[C@H](CN2CCOCC2)C1 133481837 RCTWXALGSQRCAD-CYBMUJFWSA-N 330.392 0.915 0 50 ECAA O=C1C[C@]2(CCN(c3ncccc3C(=O)N3CCCCC3)C2)C(=O)N1 82120625 IEPKKWJXZNHIKQ-SFHVURJKSA-N 342.399 0.951 0 50 ECAA COCC1CCN(c2cc([C@@H]3CCOC3)nc(NCCO)n2)CC1 426510515 WXVQWYXIUGLPHW-CQSZACIVSA-N 336.436 1.248 0 50 ECAA NC(=O)Cn1ccnc1[C@H]1CCCN(c2ncccc2C(N)=O)C1 95511312 NXJNBVDDQOKRDN-NSHDSACASA-N 328.376 0.246 0 50 ECAA COc1ccc(-c2nc3c([nH]2)CCN(C(=O)[C@@H]2CNCCO2)C3)cc1 96152555 PSMLVWHZJCAJJD-INIZCTEOSA-N 342.399 0.958 0 50 ECAA COc1cc(NC(=O)NCCc2n[nH]c(=O)[nH]2)cc(OC)c1OC 96150501 JOVYTJORYWFMTQ-UHFFFAOYSA-N 337.336 0.488 0 50 ECAA COCCN(Cc1nccs1)C(=O)CN1C(=O)CCNC1=O 95522649 OEWRYFNDVUBCKT-UHFFFAOYSA-N 326.378 0.060 0 50 ECAA COCc1ccc(C(=O)N2C[C@H](CO)[C@H](CN3CCOCC3)C2)o1 91416740 DHKPPVYBBZAEOR-ZIAGYGMSSA-N 338.404 0.439 0 50 ECAA CCN(C)C[C@@H]1CN(S(=O)(=O)c2ccc(OC)cc2)C[C@@H]1CO 92046155 IBWQXGNYQGUOHA-ZIAGYGMSSA-N 342.461 0.876 0 50 ECAA NC(=O)c1cccnc1N[C@@H]1CCN(C(=O)c2ccccn2)C[C@H]1O 244735062 NSNIGARNTMRPOZ-TZMCWYRMSA-N 341.371 0.263 0 50 ECAA Cc1cc(=O)n(CC(=O)N[C@@H](c2ccccn2)[C@H]2C[C@@H](O)C2)nc1C 244695567 JOVUWJHGXHDZHX-QWQRMKEZSA-N 342.399 0.884 0 50 ECAA CN1CCN2c3ccc(N)cc3C[C@]3(C(=O)N=C(O)N=C3O)[C@H]2C1 245327299 OCFXTFSAEODUHM-GFCCVEGCSA-N 329.360 0.342 0 50 ECAA CC(C)N1C[C@]23C=C[C@H](O2)[C@H](C(=O)N2CCc4[nH]cnc4C2)[C@@H]3C1=O 299796130 MJJSIOPWOBLATB-AFIMGQEJSA-N 342.399 0.485 0 50 ECAA O=C(CN1CCOCC1)NCc1nncn1CCc1ccccc1 299759074 NLPKDTFAAHPALZ-UHFFFAOYSA-N 329.404 0.469 0 50 ECAA O=C(C[C@@H]1C[C@H]1Cc1ccccc1)NS(=O)(=O)N1CCOCC1 1875284430 ULWKELLJIUBJLW-CABCVRRESA-N 338.429 0.949 0 50 ECAA C=CC(=O)N(C)c1ccc(C(=O)N(C)CCN2CCNC(=O)C2)cc1 1875373749 NSIGNRZAJBXGPL-UHFFFAOYSA-N 344.415 0.339 0 50 ECAA Cc1nccc(C(=O)NC[C@H]2CN(C(=O)c3cc(O)no3)C[C@H]2C)n1 1875333345 PEVGXMFLVAGCMJ-KOLCDFICSA-N 345.359 0.617 0 50 ECAA COCCN(C)C[C@H]1CCCN1C(=O)NCCC1(O)CCOCC1 952845827 AJKSFHDSFFGIBW-OAHLLOKOSA-N 343.468 0.670 0 50 ECAA Cc1ccncc1CCNC(=O)c1nn(C)cc1CN1CC[C@H](O)C1 952888602 SPMJSFDVBHCJJA-INIZCTEOSA-N 343.431 0.663 0 50 ECAA CN1CCO[C@@H](CNc2ccc3nncn3n2)[C@@H]1c1cncn1C 952852909 OTZUQPLQYMISDI-WFASDCNBSA-N 328.380 0.342 0 50 ECAA CN(C)c1cc(N2CCC[C@H](CNS(=O)(=O)C3CC3)C2)ncn1 893876190 JEZZIPSQSPJLSL-GFCCVEGCSA-N 339.465 0.841 0 50 ECAA CN1CC[C@H](N2CCC(c3ccc(S(N)(=O)=O)cc3)CC2)C1=O 1774379741 FLZBJNHWTCMWGP-HNNXBMFYSA-N 337.445 0.744 0 50 ECAA NS(=O)(=O)N1CCC(NC(=O)[C@H]2CCCc3ccccc32)CC1 898998494 XQFWQYPQDDYURO-HNNXBMFYSA-N 337.445 0.891 0 50 ECAA O=C(CCN1CCCC1)N[C@H]1CCN(C(=O)c2ccccc2)C[C@@H]1O 1565517000 JDBIUVDSTJVECN-IRXDYDNUSA-N 345.443 0.864 0 50 ECAA O=C(CN1CCCC[C@H](O)C1=O)NCCOc1ccc(F)c(F)c1 644352622 STMFMIUMKRSZDK-AWEZNQCLSA-N 342.342 0.833 0 50 ECAA COC(=O)c1cn(C2CCN([C@H](C)c3nnnn3C3CC3)CC2)nn1 192187316 WFTIVSMFKFKFIK-SNVBAGLBSA-N 346.395 0.784 0 50 ECAA O=C(c1cccnc1C(F)(F)F)N1CC[C@](O)(Cn2ccnn2)C1 671606624 NCIPWNYCSQFTLJ-CYBMUJFWSA-N 341.293 0.969 0 50 ECAA Cn1c(CO)nnc1[C@H]1CCCN(C(=O)c2ccc3c[nH]nc3n2)C1 1775979771 YOTZQVMJMWQCCL-NSHDSACASA-N 341.375 0.599 0 50 ECAA O=C(NCc1[nH]nc2ncccc12)c1cn(C[C@@H]2CCCNC2)nn1 1772805071 YBOWJTLCXBTWTI-LLVKDONJSA-N 340.391 0.479 0 50 ECAA Cn1nc(-c2ccccc2)c2c1CCN(C(=O)C1(CO)CNC1)CC2 1857698448 RXSIVJIHJMTZMI-UHFFFAOYSA-N 340.427 0.596 0 50 ECAA Cc1nc(C)c(C(=O)N2C[C@H]3[C@@H](N(C)C)CS(=O)(=O)[C@H]3C2)o1 1857714236 NPSXFHCUCSNTTL-SRVKXCTJSA-N 327.406 0.091 0 50 ECAA O=C(N=c1[nH]c(N2CCOCC2)ncc1F)c1ccc2c(c1)OCO2 1875246439 HBXSEARMSDMOFY-UHFFFAOYSA-N 346.318 0.855 0 50 ECAA CCc1ccccc1N1C[C@H](C(=O)N2CCOC[C@@H]2C(=O)O)CC1=O 262519756 QLCKJUDDHNRFQS-UKRRQHHQSA-N 346.383 0.914 0 50 ECAA Cc1c(S(=O)(=O)N[C@H](C(=O)O)c2ccc(O)cc2)cnn1C 844205878 QQEVVYHPPPECEL-LBPRGKRZSA-N 325.346 0.538 0 50 ECAA CNC(=O)[C@@H]1Cn2c(C)nnc2CN1C(=O)C1Cc2ccccc2C1 818366204 ABARUORYTZSWNW-HNNXBMFYSA-N 339.399 0.458 0 50 ECAA CC(C)C(=O)Nc1cc(C(=O)N(C)C2CS(=O)(=O)C2)ccn1 913135233 BZTHJVDAASTYGG-UHFFFAOYSA-N 325.390 0.545 0 50 ECAA CNS(=O)(=O)c1ccc2c(S(=O)(=O)NC)c(OC)ccc2c1 4810709 RVCFEXGXDOKUQR-UHFFFAOYSA-N 344.414 0.665 0 50 ECAA CS(=O)(=O)N1C[C@H]2CNC[C@@]2(C(=O)NCC2=CCCCC2)C1 65376609 LMRDYTQNAARUDB-UKRRQHHQSA-N 327.450 0.084 0 50 ECAA CCOC(=O)c1n[nH]cc1[C@H]1CC(=O)Nc2[nH]nc(C(=O)NC)c21 67878981 ZFATZEZHNFASJS-ZCFIWIBFSA-N 332.320 0.143 0 50 ECAA CS(=O)(=O)N1CCCC[C@H]1CNC(=O)N1CCC[C@H]1CCO 358119347 ANVDGXUTRVRZPH-STQMWFEESA-N 333.454 0.357 0 50 ECAA CCc1n[nH]c([C@H]2CN(C[C@@H](O)COCc3ccco3)CCO2)n1 229827315 NKLXFNFIVXJFCG-TZMCWYRMSA-N 336.392 0.911 0 50 ECAA O=C1NCCN2CCN(C(=O)c3ccc(-n4cccn4)cc3)C[C@H]12 65410089 KIDXJEAWKLTTMP-OAHLLOKOSA-N 325.372 0.129 0 50 ECAA Cn1cccc(C(=O)N2CCCC[C@H]2CCS(C)(=O)=O)c1=O 359509399 QEZHALMJTZACRQ-LBPRGKRZSA-N 326.418 0.815 0 50 ECAA CC[C@@H](C)n1nc(NC(=O)NCCN2CCCS2(=O)=O)cc1C 332286521 GRYMHPJZONJRBK-LLVKDONJSA-N 343.453 1.320 0 50 ECAA CCCNc1ncc(CN2CCN(c3cc(N)nc(N)n3)CC2)cn1 67773570 CFKJVMBSRDKSMF-UHFFFAOYSA-N 343.439 0.575 0 50 ECAA CC[C@@H]1CN(S(C)(=O)=O)CC[C@H]1N[C@@H](C(N)=O)c1ccccc1 257365922 BWGBLOINFPFJFJ-BPLDGKMQSA-N 339.461 0.863 0 50 ECAA O=C(Nc1ccn(-c2ccncc2)n1)C1(N2CCOCC2)CCC1 329291409 ASLQXYOFADISON-UHFFFAOYSA-N 327.388 1.461 0 50 ECAA Cc1nnc(CC(=O)N2CCN(CC(=O)N3CCCC[C@@H]3C)CC2)o1 330112523 CBODFRXVGRDADT-ZDUSSCGKSA-N 349.435 0.466 0 50 ECAA Cc1cccnc1NCCNC(=O)C[C@H]1C(=O)NCCN1CC(C)C 72144931 MTUCYEXONFJDJP-HNNXBMFYSA-N 347.463 0.765 0 50 ECAA 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Cc1ccccc1[C@@]1(O)CCN(C(=O)CCn2ccc(=O)[nH]c2=O)C1 221217965 VUZLXWWFORGLFK-GOSISDBHSA-N 343.383 0.355 0 50 ECAA CCCNS(=O)(=O)N1CCCN(C(=O)c2cccc(N)c2)CC1 292806500 ZQBWLVWWSZZULT-UHFFFAOYSA-N 340.449 0.661 0 50 ECAA COc1cc(C(=O)O)cc(C(=O)N2C[C@H]3C[C@H](O)[C@@H](O)C[C@H]3C2)c1 426396348 DLDKSYJEPBYOME-NEBZKDRISA-N 335.356 0.597 0 50 ECAA N#CC1(C(=O)N2CC[C@]3(CCCN(CCO)C3=O)C2)CCOCC1 92077023 JVBOGPMNVGGGIQ-QGZVFWFLSA-N 335.404 0.140 0 50 ECAA Cc1cc(C(=O)N2CCN(C)[C@@]3(CCNC(=O)CC3)C2)c(=O)[nH]c1C 91915299 MXXUCMMMCZPIAE-SFHVURJKSA-N 346.431 0.418 0 50 ECAA O=C(Cn1ccc([C@H]2CCCNC2)n1)NCCN1CCCOC1=O 426505666 GAIVDSAPQYFKGU-ZDUSSCGKSA-N 335.408 0.309 0 50 ECAA Cc1oc(C(=O)N2CC3(CCOC3)C2)cc1S(=O)(=O)N(C)C 294632937 ZOHUTJURHLHQFC-UHFFFAOYSA-N 328.390 0.701 0 50 ECAA O=C(NCCc1nc(Cc2ccccc2)no1)C12CNCC1CNC2 96140001 GTTVVWOUPAMOAP-UHFFFAOYSA-N 341.415 0.128 0 50 ECAA COCCN(C)CC(=O)N1C[C@@H]2c3ccccc3OC[C@]2(C(=O)O)C1 96137519 YLONPKZLMGYPNQ-RDTXWAMCSA-N 348.399 0.654 0 50 ECAA 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346.430 0.872 0 50 ECAA CN1CCN(Cc2ccc(CNC(=O)c3cncnc3N)cc2)CC1 185421641 NTBFMEMIMOJNMB-UHFFFAOYSA-N 340.431 0.736 0 50 ECAA O=C(C[C@H]1CN(Cc2ccccc2)CCO1)NCCN1CCNC1=O 299761953 CHEPJNHGGMTHGL-INIZCTEOSA-N 346.431 0.419 0 50 ECAA Cc1cc(=O)cc(C(=O)NC[C@H]2CCCN(S(C)(=O)=O)C2)o1 299765617 BZOZXLURPZPHNB-LLVKDONJSA-N 328.390 0.350 0 50 ECAA CC(=O)N1CC[C@@](N)(C(=O)Nc2cc(Br)cnc2O)C1 649306258 IPUPDUAYZWNRMM-LBPRGKRZSA-N 343.181 0.438 0 50 ECAA CNC(=O)[C@@H]1CC(=O)N(C2CN(C(=O)c3oc(C4CC4)nc3C)C2)C1 685943298 YDJFAUACDJIOLM-LLVKDONJSA-N 346.387 0.279 0 50 ECAA CNC(=O)[C@H]1CC(=O)N(C2CN(C(=O)c3cc(C)cc(F)c3)C2)C1 685942594 PIYMWMPBUDSXCK-LBPRGKRZSA-N 333.363 0.553 0 50 ECAA C=CC(=O)N1CCC(C(=O)N2CCCC[C@H]2CS(N)(=O)=O)CC1 1875369278 FBGFTNHETVFFRX-ZDUSSCGKSA-N 343.449 0.081 0 50 ECAA COc1cc(CCNC(=O)[C@@H]2CC[C@@H](C(=O)O)N2C2CC2)ccn1 888094064 ANBGCWFJNIWXPT-KBPBESRZSA-N 333.388 0.829 0 50 ECAA COCCN(Cc1cccs1)S(=O)(=O)N1CCN(C)CC1 1423593283 UOPBLJANQZIGAO-UHFFFAOYSA-N 333.479 0.689 0 50 ECAA 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CN(C)c1cnc(C(=O)N[C@@H]2CCC(=O)N[C@H]2[C@H]2CCCO2)cn1 333006778 OSVZURIPKKEMAX-IXPVHAAZSA-N 333.392 0.099 0 50 ECAA CCn1nc(CO)c2c1CCN(c1ncnc3c1c(C)nn3C)C2 72476489 IAABGUQEHXAUTJ-UHFFFAOYSA-N 327.392 0.943 0 50 ECAA O=C(CN1CCOCC1)NCc1noc(-c2c(F)cccc2F)n1 222770919 RAZDQLWEJYTHFG-UHFFFAOYSA-N 338.314 0.963 0 50 ECAA CN1C[C@@H](C(=O)N2CCN(c3cccc(Cl)c3)C(=O)C2)NC1=O 82100248 CHAVWLVSLWMYPV-LBPRGKRZSA-N 336.779 0.539 0 50 ECAA Nc1nc(C2CC(N)C2)cc(N2CCN(c3ccccn3)CC2)n1 220430701 HXWPUSRDNAGVHZ-UHFFFAOYSA-N 325.420 0.985 0 50 ECAA Cc1c([C@H](C)NC(=O)N2CCN(CCOCCO)CC2)cnn1C 426581054 WOXJVYWDMZVTMU-ZDUSSCGKSA-N 339.440 0.126 0 50 ECAA COc1ccccc1N1CCN(C(=O)[C@H](C)N2CCCC2=O)CC1=O 82126963 NHGOTKRKFIJJJS-ZDUSSCGKSA-N 345.399 0.881 0 50 ECAA CN1C[C@H]2CN(C(=O)Cn3ncc4ccccc43)C[C@@]2(C(=O)O)C1 426420726 NHKHLGODBONUNB-GUYCJALGSA-N 328.372 0.511 0 50 ECAA Cn1c(SCC(=O)N2CCOCC2)nnc1C1CCNCC1 426399194 JRYHLKIFAPHENQ-UHFFFAOYSA-N 325.438 0.233 0 50 ECAA OCc1csc(N2CCN(Cc3cc(C4CC4)[nH]n3)C[C@@H](O)C2)n1 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1775961817 BKKCNJVWORZNLG-AWEZNQCLSA-N 333.436 0.406 0 50 ECAA Cc1ccc(CN2C(=O)CC[C@@H]2C(=O)NC2=NCC(=O)N2C)cc1 898776549 QMDHOMVXQLUXBD-CYBMUJFWSA-N 328.372 0.430 0 50 ECAA O=C([C@@H]1OCCc2ccccc21)N1CCC[C@@H](N2CCNCC2=O)C1 186624619 JMBUSIIAQHOLEA-CRAIPNDOSA-N 343.427 0.723 0 50 ECAA C[C@H]1C(=O)N(CCN(C)S(=O)(=O)c2cccs2)C(=O)N1C 278094841 KSWVTNAKHYGNLH-VIFPVBQESA-N 331.419 0.651 0 50 ECAA CCc1nn(C)c(CC)c1CC(=O)N1CCS(=O)(=O)C[C@H](C)C1 278679606 UILISVUBJNYTLD-GFCCVEGCSA-N 341.477 0.981 0 50 ECAA C[C@@H]1CC[C@@H](C)N1CCN1CCN(c2nccnc2C(N)=O)CC1 641323918 MLJUJQNUGKEFCX-ZIAGYGMSSA-N 332.452 0.570 0 50 ECAA CCc1noc(CC)c1CNS(=O)(=O)N1CCC[C@@H](C(=O)O)C1 645991695 IIUKLBFTHIAHIP-SNVBAGLBSA-N 345.421 0.930 0 50 ECAA Cc1nn(C)c2ncc(C(=O)O)c(N3CCN4C(=O)OC[C@@H]4C3)c12 1506415086 KDZQXPXXDLIVGI-VIFPVBQESA-N 331.332 0.616 0 50 ECAA Nc1cccc(C(=O)N2C[C@H]3CN(c4nccs4)C[C@]3(CO)C2)n1 1772805198 JKIJSKGYNXEEDV-ZBEGNZNMSA-N 345.428 0.691 0 50 ECAA O=C1C[C@H](C(=O)N2C[C@@H]3[C@@H](C2)C3(CO)CO)c2ccc(F)cc2N1 1772810518 KRYNZELLOUMLJB-YNEHKIRRSA-N 334.347 0.311 0 50 ECAA NC(=O)C1CCN(C(=O)CCN2C(=O)c3ccccc3C2=O)CC1 5065542 MYBTWTQSFHNAKJ-UHFFFAOYSA-N 329.356 0.397 0 50 ECAA C[C@H]1C(=O)N2CCN(C(=O)c3ccccc3Cl)C[C@@H]2C(=O)N1C 14540760 XPUJSTHUJMPPBM-GXFFZTMASA-N 335.791 0.854 0 50 ECAA COc1cccc(OCC(=O)N2CC[C@@]34OCCN3C(=O)C[C@@H]24)c1 1857732282 KMQWMRCXNAWKGV-PBHICJAKSA-N 332.356 0.634 0 50 ECAA C[C@H]1CN(CC(C)(C)O)CCN1S(=O)(=O)N1CCOC(C)(C)C1 408438731 KLZOAXZPQLCOHH-ZDUSSCGKSA-N 349.497 0.119 0 50 ECAA C[C@H]1CN(Cc2ccccc2CNC(=O)[C@@H]2CNCCO2)C[C@@H](C)O1 237618876 SLNZMTOGHRJRML-DAYGRLMNSA-N 347.459 0.900 0 50 ECAA O=C(O)c1ccc(S(=O)(=O)NCC(=O)N2CC[C@@H]3C[C@@H]3C2)cc1 659223478 LFRGJPBZQWGYMN-VXGBXAGGSA-N 338.385 0.532 0 50 ECAA O=C(Cc1ccn[nH]1)N[C@@H]1CN(Cc2ccccc2)CC[C@@H]1CO 253416688 XRLNGKFTMREQCN-NVXWUHKLSA-N 328.416 0.951 0 50 ECAA NC(=O)N1CCC[C@H]1C(=O)N[C@H]1[C@@H]2CN(Cc3ccccc3)C[C@@H]21 820079786 QKQQSNLTRINQEZ-XUWVNRHRSA-N 328.416 0.776 0 50 ECAA COC[C@H]1CCCCN1C(=O)c1cc2n(n1)CCN(C)S2(=O)=O 822072634 DMLBOSYSQDVOSV-LLVKDONJSA-N 342.421 0.158 0 50 ECAA CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(C)CC2)N[C@@H]1c1ccco1 4737014 LXURYXAZOXUICC-QWHCGFSZSA-N 334.376 0.233 0 50 ECAA CN1CCN(CC(=O)N2CC(c3nn[nH]n3)C2)c2ccc(F)cc21 2325802063 FIEREYAKQOXPNB-UHFFFAOYSA-N 331.355 0.221 0 50 ECAA CN(C)CCN1C[C@@H](C(=O)N2CCC(Cn3ccnc3)CC2)CC1=O 65509224 CANVQINGGLGRFL-INIZCTEOSA-N 347.463 0.532 0 50 ECAA COc1ccc(C(=O)N2C[C@H](O)[C@@H](N(C)Cc3cnn(C)c3)C2)cc1 12716156 QJANDPDILFJMJH-IRXDYDNUSA-N 344.415 0.746 0 50 ECAA C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN([C@H](C)c3nncn3C)CC2)C1 253420194 XUUMFSHLNVBONJ-BZUAXINKSA-N 348.495 0.998 0 50 ECAA CN1CCO[C@@H](C(=O)N2CCN(Cc3cccc(F)c3)C(=O)C2)C1 173242263 FZDFDCZDIFSBDF-OAHLLOKOSA-N 335.379 0.327 0 50 ECAA C[C@H]1CN(C)C[C@@H](C)N1C(=O)[C@@H](C)S(=O)(=O)C1CCOCC1 328777094 LHWCFQUWDVSWPP-FRRDWIJNSA-N 332.466 0.520 0 50 ECAA CCN1C[C@@]2(C(=O)O)CN(C(=O)C3(Cn4cccn4)CC3)C[C@H]2C1=O 72423924 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330.388 0.725 0 50 ECAA Cn1ncc(N2CCO[C@H](CCNC(=O)CCC3CC3)C2)cc1=O 72134305 AATLRLMUCJKNPI-OAHLLOKOSA-N 334.420 0.682 0 50 ECAA O=C1C[C@]2(CCN(C(=O)c3ccc(-c4nc[nH]n4)cc3)C2)C(=O)N1 82121893 CZPKCDQYDBWXRW-INIZCTEOSA-N 325.328 0.351 0 50 ECAA CCOc1ncccc1C(=O)N1CCN(c2cc(O)nc(N)n2)CC1 426573108 LTZLGLLSZKNTHP-UHFFFAOYSA-N 344.375 0.521 0 50 ECAA COC1CCN(S(=O)(=O)N2C[C@@H](C(=O)O)[C@H](C(C)C)C2)CC1 91645740 PRBILHPWPOXJCY-QWHCGFSZSA-N 334.438 0.631 0 50 ECAA CC(C)OCCS(=O)(=O)N1CCN(C(=O)c2ccsn2)CC1 294797072 BFNMAWAQULUKAI-UHFFFAOYSA-N 347.462 0.656 0 50 ECAA COC(=O)N1CCN(C(=O)c2cc(C(C)C)n3ncnc3n2)CC1 91254498 XRFJDWOXBIWLLW-UHFFFAOYSA-N 332.364 0.772 0 50 ECAA COCC[C@@H]1CN(C(=O)Cn2nc(C)c3ccccc3c2=O)CCO1 91321914 JGHMVHHGURPQOI-CQSZACIVSA-N 345.399 0.969 0 50 ECAA COc1cc(OC)cc([C@H](O)CNC(=O)Cn2cccnc2=O)c1 97674432 XSEUXDMFAMQTGE-CQSZACIVSA-N 333.344 0.110 0 50 ECAA Cc1cc(N2CCN(C(=O)CC[C@@H]3NC(=O)NC3=O)CC2)cc(C)n1 91364693 GDMFXJRVSRMPRG-AWEZNQCLSA-N 345.403 0.335 0 50 ECAA 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CNCCN1C(=O)CC[C@@H]2CN(C(=O)c3ccc(CO)o3)CC[C@@H]21 216921768 GPKLMFKXNTYTCD-OCCSQVGLSA-N 335.404 0.444 0 50 ECAA CCn1c(N2C[C@@H]3CNC[C@@]3(CO)C2)nc2cc(C(=O)O)cnc21 1772809676 CIZZHYYGCKXNDR-ZBEGNZNMSA-N 331.376 0.168 0 50 ECAA COC(=O)CCC(=O)N[C@H]1CC(=O)N(C2Cc3ccccc3C2)C1 11955940 WWMDNYVTIARYOU-AWEZNQCLSA-N 330.384 0.824 0 50 ECAA O=C1C[C@H]2N(Cc3ccc(-c4nn[nH]n4)cc3)CC[C@]23OCCN13 1857736012 LVGHGXXRQUBNLF-CJNGLKHVSA-N 326.360 0.400 0 50 ECAA O=S1(=O)CC[C@@H](N2CCN(Cc3ccc4cn[nH]c4c3)CC2)C1 120393268 KUYHWZPELUBUQY-OAHLLOKOSA-N 334.445 0.868 0 50 ECAA COc1cccc(CN(C)C(=O)CN2CCC[C@@](O)(CC(N)=O)C2)c1 643803785 HEFFQYAHWYAUBO-GOSISDBHSA-N 349.431 0.356 0 50 ECAA Cc1cc(N2CC[C@@H](NC(=O)c3ccnc(N(C)C)c3)C2=O)n(C)n1 266353837 GDRAJHCMRGVGBG-CYBMUJFWSA-N 342.403 0.725 0 50 ECAA Cn1c(C(=O)NCc2cc(O[C@H]3CCNC3)ccn2)cccc1=O 818248396 JRGICWUDKOUCLQ-AWEZNQCLSA-N 328.372 0.451 0 50 ECAA COC[C@H]1CCN(C(=O)Nc2ccc3c(=O)n(C)c(=O)n(C)c3c2)C1 932625485 AZQWLWVVNPDHTG-NSHDSACASA-N 346.387 0.737 0 50 ECAA 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CN(C)c1noc(CNC(=O)[C@H]2CCCN2Cc2ccccn2)n1 373581641 WVADDYIJPKUHFG-CYBMUJFWSA-N 330.392 0.811 0 50 ECAA C[C@@]1(O)CCN(C(=O)C2=NN(c3ccc(F)cc3)C(=O)CC2=O)C1 375091206 SQRUDOYROQVDEO-MRXNPFEDSA-N 333.319 0.471 0 50 ECAA O=C(N[C@@H]1CCN(C(=O)c2ncccc2O)C[C@H]1O)c1cccnc1 77440067 GAAOBPWAXDIYHC-TZMCWYRMSA-N 342.355 0.188 0 50 ECAA COc1ccc(COC[C@@H](O)CN(C)[C@H]2CCS(=O)(=O)C2)cc1 241644175 POXVJIKMUMBKIA-GJZGRUSLSA-N 343.445 0.692 0 50 ECAA O=C1C[C@@]2(CCN(C(=O)CN3C(=O)CNC3=O)C2)Oc2ccccc21 92077232 DWDSVRLCZRWBSB-QGZVFWFLSA-N 343.339 0.175 0 50 ECAA O=C(O)[C@@H]1CN(Cc2cccnc2)CCN(C(=O)c2ncc[nH]2)C1 97675429 BBBQHAYDEHQBRU-CYBMUJFWSA-N 329.360 0.464 0 50 ECAA CN1CC(=O)N(CC(=O)NCc2csc(N3CCCC3)n2)C1=O 426415661 SYXRGLFDOUPZOM-UHFFFAOYSA-N 337.405 0.254 0 50 ECAA Cc1cccc(N2CCN(C(=O)CN3C(=O)CCNC3=O)CC2)c1C 95516655 DOJWRIGOXRXVHT-UHFFFAOYSA-N 344.415 0.894 0 50 ECAA CS(=O)(=O)N1CCCN(C(=O)[C@H]2COc3ccccc3C2)CC1 95521240 GDPNLQVVGXXAJP-CQSZACIVSA-N 338.429 0.732 0 50 ECAA COCCc1nc(CNC(=O)[C@@H]2CCCN(C(=O)N(C)C)C2)no1 95385445 LLGNBOBXRZNVMB-LLVKDONJSA-N 339.396 0.268 0 50 ECAA O=C(CNS(=O)(=O)c1cccs1)N1CCc2[nH]cnc2C1 95366779 NQVXBMPWXRNORM-UHFFFAOYSA-N 326.403 0.334 0 50 ECAA O=C(O)C[C@H]1CN(CC(=O)NCc2ccccc2)C[C@H]1c1c[nH]nn1 299783321 ZAORTPDOGJIILU-UONOGXRCSA-N 343.387 0.611 0 50 ECAA O=S1(=O)CC[C@H](S(=O)(=O)NCc2n[nH]c3c2CCCCC3)C1 828395471 FNQFSASPQOQAII-JTQLQIEISA-N 347.462 0.285 0 50 ECAA O=C(O)C[C@H]1CN(C(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)CCO1 268931183 AFKJZTVPZCBATI-CABCVRRESA-N 346.383 0.737 0 50 ECAA CNC(=O)[C@H]1CC(=O)N(C2CN(C(=O)c3coc(C4CCC4)n3)C2)C1 685943297 YAKPIGFWCXCHKH-NSHDSACASA-N 346.387 0.361 0 50 ECAA CNC(=O)[C@@H]1CC(=O)N(C2CN(C(=O)c3cccnc3C3CC3)C2)C1 685942225 MHHAYMWZVYINBY-GFCCVEGCSA-N 342.399 0.378 0 50 ECAA Cc1cc(CC(=O)NS(=O)(=O)N2CCc3ccccc3C2)no1 1875283768 FIZLSLUXVZMHBA-UHFFFAOYSA-N 335.385 0.945 0 50 ECAA COCCN(C)C[C@@H](O)Cn1c(=O)n(C)c2cc(Cl)ccc21 1875298280 VSVDFOIHPJJAOR-GFCCVEGCSA-N 327.812 0.933 0 50 ECAA 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CCCc1nc(CN2CCC(N3CCS(=O)(=O)CC3)CC2)no1 170596772 IHBRYDXKIHYBIA-UHFFFAOYSA-N 342.465 0.717 0 50 ECAA CC(C)CN1CCN(C(=O)CCC(=O)N2CCOCC2)[C@H](C)C1=O 170601286 WSGJTCRAJJZKDI-CQSZACIVSA-N 339.436 0.341 0 50 ECAA Cc1cc(-n2cncn2)ccc1C(=O)N1CC(NC(=O)C2CC2)C1 189366935 LIYXSNWWDZAYDJ-UHFFFAOYSA-N 325.372 0.926 0 50 ECAA O=C(c1cccc2nccn12)N1CCC[C@@](O)(Cn2ccnn2)C1 794093409 SSEUVNOVHBEZPY-INIZCTEOSA-N 326.360 0.593 0 50 ECAA Cn1c(N[C@H](CCO)Cc2ccccc2)nc2c1c(O)nc(=O)n2C 799332431 DRJGUDXBQPKQDX-GFCCVEGCSA-N 343.387 0.778 0 50 ECAA CC[C@@H]1CN(C(=O)CN2CCN(c3ncccn3)CC2)CC[C@]1(C)O 213105317 NPFFOMUFHPZTAB-QAPCUYQASA-N 347.463 0.608 0 50 ECAA Cc1ccccc1NC(=O)N1C[C@H](O)[C@@H](NCCN2CCNC2=O)C1 215091260 JMBFWWJMFXJRMP-GJZGRUSLSA-N 347.419 0.187 0 50 ECAA Cc1nnnn1CCC(=O)N1CCCN(CCC(F)(F)F)CC1 1529185842 QXVHYOZFNPJFQH-UHFFFAOYSA-N 334.346 0.858 0 50 ECAA O=C(O)CCN1CCCN(C(=O)c2cn(-c3ccccc3)nn2)CC1 1772712236 QBITYPQZIDVHAB-UHFFFAOYSA-N 343.387 0.890 0 50 ECAA 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COc1cccc(S(=O)(=O)NC[C@@H]2CCN(C)C(=O)C2)c1OC 907253993 YVZRCQQWKXWZQO-LLVKDONJSA-N 342.417 0.851 0 50 ECAA CC(C)C(=O)N[C@@H]1CCCN(C(=O)c2cc(S(N)(=O)=O)co2)C1 2325829817 SWELRMSCVZBXOH-SNVBAGLBSA-N 343.405 0.304 0 50 ECAA CCS(=O)(=O)N1CCN(C(=O)c2cccc(OC)c2OC)CC1 120111 HVLZXTHYRAXQCD-UHFFFAOYSA-N 342.417 0.811 0 50 ECAA O=C1NCC(=O)N2CCN(C(=O)c3nc4ccccc4s3)C[C@H]12 65527059 FJIMVZSMSXESSK-SNVBAGLBSA-N 330.369 0.079 0 50 ECAA O=C(NC1CC1)c1cn(C2CCN(C(=O)Cn3ccnc3)CC2)nn1 67895199 SIAMLQRVHDFVHP-UHFFFAOYSA-N 343.391 0.231 0 50 ECAA Cc1cn(CC(=O)N[C@H]2[C@@H]3CCO[C@@H]3[C@@H]2C2CCCC2)c(=O)[nH]c1=O 222871736 QLAOYMDYHHMVGJ-UKMLZYKCSA-N 347.415 0.555 0 50 ECAA CC(=O)NCc1cc2n(n1)CCN(CC(C)(C)CN1CCOCC1)C2 82116414 LFOKXTOEOYHAJT-UHFFFAOYSA-N 349.479 0.693 0 50 ECAA O=C(NCc1cnn2ccccc12)c1cn(C[C@H]2CCCNC2)nn1 67757233 KZFXOQIMZYGCKS-ZDUSSCGKSA-N 339.403 0.855 0 50 ECAA CO[C@@H](C)CS(=O)(=O)N[C@@H]1CCCN(c2ccc(C)nn2)C1 253428636 AWRDUDAVZLIVCE-QWHCGFSZSA-N 328.438 0.708 0 50 ECAA 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CCc1nc(C)c(C(=O)N2CCC3(CC2)NC(=O)C[C@H]3C(=O)O)o1 219590582 LPSBWOVFOYXTFT-JTQLQIEISA-N 335.360 0.741 0 50 ECAA CNC[C@@H]1CCCN1S(=O)(=O)c1ccc(CS(C)(=O)=O)cc1 237159531 OOOZBCIBOQFODU-ZDUSSCGKSA-N 346.474 0.604 0 50 ECAA COCCn1nnnc1[C@H]1CN(Cc2nc3ccccc3[nH]2)CCO1 214955946 GJIFMDWJZCZEKA-CQSZACIVSA-N 343.391 0.769 0 50 ECAA CCCN1C(=O)CC[C@H]2CN(C(=O)Cc3cnc(C)[nH]c3=O)CC[C@H]21 72458541 MTXFDYGSGVJIKH-DZGCQCFKSA-N 346.431 0.870 0 50 ECAA C[C@](O)(CNC(=O)c1ccc(Cl)c(N2CCNC2=O)c1)C(=O)O 262468699 GPRDPKQAVZJJMB-AWEZNQCLSA-N 341.751 0.435 0 50 ECAA C[C@@H](Nc1nc(N)nc2c1CCN(C(=O)CO)CC2)c1nccs1 72418016 PTEFGMWYHROKGY-SECBINFHSA-N 348.432 0.608 0 50 ECAA CC(C)S(=O)(=O)c1ccc(C(=O)N2CCOC[C@@H]2C(=O)O)cc1 262549874 UPICVYYOLPZFQA-CYBMUJFWSA-N 341.385 0.794 0 50 ECAA O=C(NCCN1CCCC[C@H]1CO)c1cccc(-n2cnnc2)c1 216425953 XVFKEONUPIKRQM-INIZCTEOSA-N 329.404 0.844 0 50 ECAA CNC(=O)[C@@H]1Cc2ccccc2CN1C[C@@H](O)COC[C@H]1CCCO1 241644642 PSJYVRYTPFSSMK-KURKYZTESA-N 348.443 0.716 0 50 ECAA CN(CCN1C(=O)CNC1=O)C[C@@H]1CCCN(C)[C@H]1c1ccnn1C 286706874 ITIRAWYOLMBGAY-XJKSGUPXSA-N 348.451 0.287 0 50 ECAA COc1ccc(-c2ccc(=O)n(CC(=O)N[C@@H](C)C(=O)O)n2)cc1 49544332 QYVQMKPCHRVSOO-JTQLQIEISA-N 331.328 0.508 0 50 ECAA Cc1cc(O)nc(NCCNC(=O)NCc2cc(C3CC3)n[nH]2)n1 426547629 NIHRMJAMJADIEJ-UHFFFAOYSA-N 331.380 1.002 0 50 ECAA COCCN1C[C@@H](C(=O)NCc2nc(C(F)(F)F)n[nH]2)CCC1=O 426728363 ZQSSDHIILFJTQG-QMMMGPOBSA-N 349.313 0.325 0 50 ECAA Cc1cc(N2CCCS2(=O)=O)ccc1C(=O)N(C)[C@@H]1CCNC1 179105484 DUNGUHIWNGHLCW-CQSZACIVSA-N 337.445 0.969 0 50 ECAA CN(C)c1ccc(CN2CC[C@@]3(CCCN(CCO)C3=O)C2)cn1 91645068 AUXZZXQJWGJLSQ-SFHVURJKSA-N 332.448 0.954 0 50 ECAA COc1ccc(F)c(CNC(=O)C[C@@H]2C(=O)N(C)C(=O)N2C)c1F 91461584 LQPNJCBQSANEKK-SNVBAGLBSA-N 341.314 0.872 0 50 ECAA COc1ccccc1CNC(=O)CN1C[C@@H](OC)[C@H](c2cnn[nH]2)C1 621321486 KABQGWVBYZLWCS-XJKSGUPXSA-N 345.403 0.544 0 50 ECAA CCc1nccn1CCC(=O)N1CC[C@H]2OCc3cnnn3[C@H]2C1 299799169 RCFBLOFCFLWHGV-UONOGXRCSA-N 330.392 0.800 0 50 ECAA CCc1c(C)nn(CCNC(=O)c2c[nH]nc2-n2cnnn2)c1C 299780515 KAGXLCKGVYIQSU-UHFFFAOYSA-N 329.368 0.191 0 50 ECAA C[C@H](NC(=O)CSc1nc(N)n[nH]1)c1nc(-c2cccnc2)no1 827999677 FKLOCHHBAVLFOI-ZETCQYMHSA-N 346.376 0.801 0 50 ECAA CS(=O)(=O)NC1CCN(C(=O)[C@@H]2CC(=O)OC23CCCC3)CC1 828244507 HIGFNMYHLXXYRX-LBPRGKRZSA-N 344.433 0.403 0 50 ECAA CN1C(=O)C[C@H](C(=O)N2C[C@H]3[C@@H]4CC[C@@H](O4)[C@H]3C2)[C@H]1c1ccnn1C 1875274586 LDKVEDSHTUCTLP-SLCDXCLLSA-N 344.415 0.575 0 50 ECAA CO[C@H]1C[C@@H](CNC(=O)Cc2cncn2C)N(c2cc(C)ncn2)C1 952889220 ZMINFWLUWUYDIJ-GJZGRUSLSA-N 344.419 0.471 0 50 ECAA CCN1CCO[C@@H](CNC(=O)c2nonc2C)[C@@H]1c1cncn1C 952852990 ULNPOLGOAAXTTA-JSGCOSHPSA-N 334.380 0.303 0 50 ECAA CC(C)ONC(=O)[C@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 952877140 LXLJVJZRKYFRBC-NSHDSACASA-N 336.797 0.435 0 50 ECAA CNC(=O)[C@]12CCOC[C@H]1CN(C(=O)/C=C(\C)c1cnccn1)C2 952849894 HOWKMYZMZPRIRV-KQDIMTNQSA-N 330.388 0.491 0 50 ECAA CS(=O)(=O)CC1(C(=O)NCCOCc2ccccc2)COC1 952993721 JFTYEKHZPLSSOL-UHFFFAOYSA-N 327.402 0.381 0 50 ECAA CO[C@H](C)CS(=O)(=O)Nc1ccc(C2=NNC(=O)CO2)cc1 1775992452 SPVVHUQYKDNVDX-SECBINFHSA-N 327.362 0.271 0 50 ECAA Cn1cc(CCC(=O)N2CC[C@H]3[C@H](CCC(=O)N3CCCN)C2)cn1 216973291 KOQSDDBKFXGWAX-CVEARBPZSA-N 347.463 0.541 0 50 ECAA CC[C@@H]1NC(=O)[C@H]2CN(C(=O)c3cccc(OC)c3)CCN2C1=O 14749869 HQLLDHKRIYJATM-UONOGXRCSA-N 331.372 0.257 0 50 ECAA C[C@H](Cn1cncn1)NC(=O)N1CCN(C(=O)c2ccco2)CC1 158049660 HTEAYQQFAVHSAS-GFCCVEGCSA-N 332.364 0.427 0 50 ECAA Cc1cc(C[C@H](C)NC(=O)N2CCN(Cc3nccn3C)CC2)n[nH]1 158347592 KMJIPEKVZZCKKU-ZDUSSCGKSA-N 345.451 0.910 0 50 ECAA Cn1cnc2c(C(=O)N3CC4(CCC4)[C@H]3[C@H]3CCCO3)n[nH]c2c1=O 1857532829 GSJBZLFYYDIHAP-QMTHXVAHSA-N 343.387 0.830 0 50 ECAA COCCn1nnc([C@H]2CN(c3ccnc4[nH]ncc34)CCO2)n1 1857717196 YNTXVXSQVCFBSD-GFCCVEGCSA-N 330.352 0.169 0 50 ECAA O=C(c1ccc2nn[nH]c2c1)N1CC[C@@]23OCCCN2C(=O)C[C@@H]13 1857727980 IDNITVAMCJZCKH-CJNGLKHVSA-N 327.344 0.521 0 50 ECAA O=C(O)[C@H]1CS(=O)(=O)CCN1C(=O)Cc1ccc(Cl)cc1 643431089 VZEDYKHLGYDUEL-LLVKDONJSA-N 331.777 0.593 0 50 ECAA CO[C@H]1C[C@H](C(=O)N(C2CC2)[C@@H](C)C2CC2)N(S(C)(=O)=O)C1 333236015 VPAOVBKSHVTVJO-LEWSCRJBSA-N 330.450 0.825 0 50 ECAA CCc1nc(CN2CCOC[C@H]2c2noc(-c3cnn(C)c3)n2)n[nH]1 253429102 OTDWBGABEYFVDR-NSHDSACASA-N 344.379 0.724 0 50 ECAA CCCn1nc(N(C[C@@H]2CC(=O)N(C)C2)S(C)(=O)=O)cc1C 2356157184 DCZIOWCERQIMKX-GFCCVEGCSA-N 328.438 0.846 0 50 ECAA O=C(NC[C@H]1CCCO1)c1cccc(C(=O)NC[C@H]2CCCO2)n1 2745386 BMYLLSSZYYJQAV-CHWSQXEVSA-N 333.388 0.899 0 50 ECAA COC(=O)C1=NN(C(C)=O)[C@@H]2C(=O)N(c3cccc(C)c3)C(=O)[C@@H]12 100628311 DVQBEULFVAMJSG-AAEUAGOBSA-N 329.312 0.244 0 50 ECAA CC1=C(C(=O)NCCCc2nnc3ccccn23)[C@@H](C)NC(=O)N1 67605130 HZQPJKWWIHQVBY-SNVBAGLBSA-N 328.376 0.753 0 50 ECAA COC(=O)[C@@H](C)CN(C)C[C@@H](O)CN1CCN(c2ccccc2)CC1 229786795 PJECGKLAOLVKQP-FUHWJXTLSA-N 349.475 0.910 0 50 ECAA NCCn1cc(C(=O)NC[C@H](c2cccnc2)N2CCCCC2)nn1 77535933 VDIVTQNYWUGDSI-MRXNPFEDSA-N 343.435 0.589 0 50 ECAA C[C@@H](c1cccnc1)N1CCN(CCN2C(=O)N[C@H](C)C2=O)CC1 332329908 YMPOHIKNFNETMB-KGLIPLIRSA-N 331.420 0.701 0 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CC(C)N(C)Cc1nnnn1CC(=O)NCc1ccc2nonc2c1 95517741 IJDYJLOOXPCTOW-UHFFFAOYSA-N 344.379 0.366 0 50 ECAA COc1ccc(OCc2nc(C3(C(N)=O)CC3)n(CC(=O)O)n2)cc1 96140256 JKEADSVCCSUYBN-UHFFFAOYSA-N 346.343 0.467 0 50 ECAA O=C(N[C@H](C1CCNCC1)[C@H]1C[C@H](O)C1)C1(Cn2ccnc2)CC1 244758157 OTGDUKNAJJVTDZ-BZUAXINKSA-N 332.448 0.919 0 50 ECAA OC[C@H]1[C@H]2[C@H]3[C@@H](O)CC[C@H]3[C@@H]3[C@@H]2[C@H]2[C@H]1[C@@H]1CC[C@H](O)[C@@H]1[C@H]2[C@@H]3CO 248003615 RRNAWCVSXZOYQC-WZPUOHIPSA-N 334.456 0.729 0 50 ECAA CCn1c(CO)nnc1[C@H]1C[C@@H](NC(=O)c2cn3cccnc3n2)C1 244900273 ZYXJUJJQQCCYKR-PHIMTYICSA-N 341.375 0.509 0 50 ECAA COc1cncc([C@H](NC(=O)Cc2c(C)[nH][nH]c2=O)[C@H]2C[C@H](O)C2)c1 253378478 GJWHFCNKVYEFLA-NSODJVPESA-N 346.387 0.586 0 50 ECAA CCn1cc(O[C@@H]2CN(CC(=O)N(C)Cc3ccco3)C[C@H]2O)cn1 625622457 KHSQDYOAZADGKQ-HZPDHXFCSA-N 348.403 0.579 0 50 ECAA Cc1ccc(N2CC[C@H](C(=O)N3CCO[C@@H](C(=O)O)C3)C2=O)cc1 299750572 NXPSZSOUBTUQJD-ZIAGYGMSSA-N 332.356 0.660 0 50 ECAA COc1cc(F)c(S(=O)(=O)N2CC[C@@H](C(=O)O)C2)cc1OC 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ECAA Cc1cn(CC(=O)NCC[C@H]2COc3ccccc3O2)c(=O)[nH]c1=O 215368359 QRMCVUUYEPEPBG-LBPRGKRZSA-N 345.355 0.191 0 50 ECAA Cn1cc(NC(=O)CN2CCCC[C@H]2CCN2CCOCC2)cn1 72134438 ANOUJXJVPCGMSY-INIZCTEOSA-N 335.452 0.935 0 50 ECAA O=C(O)[C@H]1CN(C(=O)CCn2ncc(=O)c3ccccc32)CCO1 362571572 ZIHGPHHZFPUYJO-CQSZACIVSA-N 331.328 0.099 0 50 ECAA CNC(=O)[C@H]1CCCCN1C(=O)Cc1ccc(-n2cnnn2)cc1 125691341 SRCYKFQWOMVNJR-CQSZACIVSA-N 328.376 0.332 0 50 ECAA Cn1cc([C@H](O)C2CCN(C(=O)C=C3CCC3)CC2)c(=O)n(C)c1=O 371097585 GLCGYJCIISNPJK-MRXNPFEDSA-N 347.415 0.466 0 50 ECAA COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1S(=O)(=O)c1cnn(C)c1 240551393 GTKXZSASZSFHMU-RTXFEEFZSA-N 327.406 0.915 0 50 ECAA O=C(O)c1ccnc(-c2ccnc(N3CCN(CCO)CC3)n2)c1 72456807 GQHNNKFJIVPUDQ-UHFFFAOYSA-N 329.360 0.351 0 50 ECAA CCOc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)N(C)CCO)cc1 72150103 WSRTXSWRWLVFIV-INIZCTEOSA-N 349.431 0.227 0 50 ECAA Cc1cc(NC(=O)CN2CCN(C(=O)c3oc(C)nc3C)CC2)no1 174489841 IDIXQQKYPIPKGL-UHFFFAOYSA-N 347.375 0.984 0 50 ECAA COc1ccc(C(=O)N2CCCC[C@H]2CCS(C)(=O)=O)nn1 340753909 SMXMXDUKEUNOQI-NSHDSACASA-N 327.406 0.915 0 50 ECAA CCn1nccc1S(=O)(=O)N1CCN(C)[C@@H](c2nc(C)no2)C1 285285462 ZXRKWMYDZCXLFG-LLVKDONJSA-N 340.409 0.272 0 50 ECAA CCn1nccc1S(=O)(=O)N1CCN(C)[C@H](c2nc(C)no2)C1 285285463 ZXRKWMYDZCXLFG-NSHDSACASA-N 340.409 0.272 0 50 ECAA CNS(=O)(=O)c1ccc(-c2nccn2CCS(C)(=O)=O)cc1 72476411 RKZGXGVXBMMIHN-UHFFFAOYSA-N 343.430 0.503 0 50 ECAA NC(=O)CC(=O)N1CCN(c2cccc(Br)c2)CC1 285760969 RBFJGCFWNJXRPA-UHFFFAOYSA-N 326.194 0.973 0 50 ECAA NC(=O)[C@H]1CCCN(CCCNC(=O)N2CC(c3ccncc3)C2)C1 426358513 OKLPGGRQDOQYTN-HNNXBMFYSA-N 345.447 0.778 0 50 ECAA CCN1CCN(CC(=O)Nc2ccc(NC(=O)COC)cc2)CC1 81246491 NNGBKMAXDVFQAL-UHFFFAOYSA-N 334.420 0.848 0 50 ECAA CC(=O)N[C@H]1CCN(C(=O)C2(Oc3cccnc3C)CCNCC2)C1 199478953 YWKUANXPIGHPGW-HNNXBMFYSA-N 346.431 0.628 0 50 ECAA CNS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](O)C23CCCC3)o1 294143987 LQZWKRLPBIHQEX-LLVKDONJSA-N 328.390 0.707 0 50 ECAA Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N[C@@H]1CCCNC1 237617439 QTQMATQBGLXNNU-LLVKDONJSA-N 332.447 0.429 0 50 ECAA NC(=O)N1CCC[C@@H](C(=O)NCc2nnnn2-c2ccccc2)C1 91587254 KMANFWOYMRIGRB-LLVKDONJSA-N 329.364 0.069 0 50 ECAA CCc1ncc(C(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)cn1 95359686 PIOCSKGXZZQKGY-UHFFFAOYSA-N 345.447 0.985 0 50 ECAA Cc1ccc(-n2nnc(C(=O)NCC(=O)N3CCOCC3)c2C)cc1 181061070 PTNMUOAPPYWZKZ-UHFFFAOYSA-N 343.387 0.473 0 50 ECAA O=C(O)[C@H]1COCCN1C(=O)[C@H]1CC(=O)N(CCc2ccccc2)C1 299752254 TTWAEVUZJHAMRL-LSDHHAIUSA-N 346.383 0.390 0 50 ECAA COC(=O)c1cn(Cc2cn3c(n2)SCC3)cc2c(=O)[nH]nc1-2 263587837 LUSGCYAHVJJHBE-UHFFFAOYSA-N 331.357 0.813 0 50 ECAA O=C(c1ccc2[nH]nnc2c1)N1CC[C@H]2OCc3cnnn3[C@H]2C1 299793991 JFMUOOXESFJOBH-UONOGXRCSA-N 325.332 0.535 0 50 ECAA Cc1n[nH]cc1CCCN1C(=O)N[C@H](Cc2cn(C(C)C)nn2)C1=O 1875361418 ZYGDNKMIYLTLJM-CQSZACIVSA-N 345.407 0.986 0 50 ECAA C=CC(=O)NCCNC(=O)c1nc(-c2ccc3c(c2)OCO3)no1 1875384245 MXTCCSZKFULPAY-UHFFFAOYSA-N 330.300 0.497 0 50 ECAA O=C(NC[C@@H]1CCOC1)N1CCC(n2[nH]c(C3CC3)nc2=O)CC1 1875305560 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1704331030 JPAISFSBUPQMHF-IUODEOHRSA-N 328.420 0.935 0 50 ECAA Cc1cccc(OCCNc2nc3c(c(=O)n(C)c(=O)n3C)n2C)c1 12648438 GXAMFVAJNBIQOG-UHFFFAOYSA-N 343.387 0.770 0 50 ECAA biogenic COc1ccc(CN2C(=O)C[C@H](N3CCC(C(N)=O)CC3)C2=O)cc1 19877458 RSUIHXRMHWHWKO-HNNXBMFYSA-N 345.399 0.520 0 50 ECAA CCn1cnc2c1c(=O)n(CC(=O)O)c(=O)n2Cc1ccccc1 169356440 FYLYGKGYYBVTBK-UHFFFAOYSA-N 328.328 0.513 0 50 ECAA N=c1nc(O)cc(N2CC[C@H](O)[C@@](CO)(Cc3ccc(F)cc3)C2)[nH]1 1857719741 SPWMFXGVVCCFMV-GUYCJALGSA-N 348.378 0.526 0 50 ECAA Cn1cc(S(=O)(=O)N2c3ccccc3C[C@H]2C(=O)O)cc1C(N)=O 324060736 WMFTXYIWXPDBRQ-ZDUSSCGKSA-N 349.368 0.329 0 50 ECAA O=C(Cc1ccn[nH]1)N[C@H]1CN(Cc2ccccc2)CC[C@H]1CO 253416689 XRLNGKFTMREQCN-RDJZCZTQSA-N 328.416 0.951 0 50 ECAA CC1(C)CN(C(=O)NCc2nnnn2C2CC2)C[C@@]2(CCOC2)O1 684376693 KKHGQKREILUVRP-OAHLLOKOSA-N 336.396 0.488 0 50 ECAA O=C(NCCN1CCS(=O)(=O)CC1)C1(c2ccccc2F)CC1 265464033 UVVVTOBCHBJDHM-UHFFFAOYSA-N 340.420 0.704 0 50 ECAA Cc1nnc2n1C[C@H](C(=O)N1CC(CC3CCOCC3)C1)N(C)C2 919769003 IWZVTVRFOTVNTF-OAHLLOKOSA-N 333.436 0.676 0 50 ECAA COc1cc(-c2nnn(CC(=O)N3CCCC3)n2)cc(OC)c1OC 4728039 CPTYBBNQIPPMQI-UHFFFAOYSA-N 347.375 0.988 0 50 ECAA CO[C@]1(CN)C[C@H](C(=O)N2CCOC[C@H]2c2c(C)nn(C)c2C)C1 2325778763 NXSRFOYNXRVAMD-GRDNDAEWSA-N 336.436 0.691 0 50 ECAA C[C@@H](C1CC1)N1C[C@H](C(=O)NCc2cc(=O)c(O)cn2C)CC1=O 2325780603 AJMCBLABEXPPGS-CMPLNLGQSA-N 333.388 0.354 0 50 ECAA C=CC(=O)Nc1cccc(C(=O)NCCN2CCCS2(=O)=O)c1 865055895 RWJZXCHJEQSYTP-UHFFFAOYSA-N 337.401 0.576 0 50 ECAA Cn1cc(C[C@@H]2CCN(C(=O)NC[C@@H]3CN4CCC[C@H]4CO3)C2)cn1 245343904 WJXKQMUZQWPTOO-BHYGNILZSA-N 347.463 0.857 0 50 ECAA COc1ccccc1N(CC(=O)NC[C@H]1CCCO1)S(C)(=O)=O 80213 ICZCGCFZTBSBGA-GFCCVEGCSA-N 342.417 0.756 0 50 ECAA CC(C)CCn1c(SCC(N)=O)nc2c1c(=O)[nH]c(=O)n2C 192129 VIMPSMIMLGBVAF-UHFFFAOYSA-N 325.394 0.047 0 50 ECAA biogenic O=C(c1ccccc1N1CCOCC1)N1C[C@H]2COC[C@@]2(CO)C1 2356168107 PVCQDMNGDSLIHO-KSSFIOAISA-N 332.400 0.604 0 50 ECAA O=C1C[C@H](N(C(=O)Cn2cc(-c3ccccc3)nn2)C2CC2)C(=O)N1 135480082 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SXRNNLOBZALGSI-UONOGXRCSA-N 331.482 0.682 0 50 ECAA NS(=O)(=O)[C@@H]1CCCN(C(=O)c2ccc(Cn3ccnc3)cc2)C1 377789824 JJTBQMKMKDXFPL-OAHLLOKOSA-N 348.428 0.825 0 50 ECAA CCN(C[C@@H](O)CN1CCOCC1)C[C@H]1COc2ccccc2O1 241774112 RNCPQHPHFLGVAP-CVEARBPZSA-N 336.432 0.841 0 50 ECAA Cn1c(=O)n(C)c2cc(S(=O)(=O)N3CCC[C@@H]3C(=O)O)ccc21 41091416 OTWZSLRMCMMRLJ-LLVKDONJSA-N 339.373 0.115 0 50 ECAA O=C(O)CO[C@H]1CCOC[C@H]1NC(=O)c1cnc2ccccc2n1 222574395 RLTHBMZZRKTMGL-KGLIPLIRSA-N 331.328 0.618 0 50 ECAA Cc1noc(C)c1[C@H]1CCCN1C(=O)Cc1c[nH]c(=O)n(C)c1=O 223228977 OXCMKZNXALGICF-GFCCVEGCSA-N 332.360 0.585 0 50 ECAA Cc1n[nH]c(C)c1CN=c1cc([C@@H]2CCOC2)[nH]c(=NCCO)[nH]1 426618373 PYRXQZYFFRCTBO-GFCCVEGCSA-N 332.408 0.181 0 50 ECAA O=C(CN1C(=O)CNC1=O)N[C@H]1CN(C2CCCCC2)C[C@@H]1C1CC1 91847705 ZHSCVMVUXSTNTR-CABCVRRESA-N 348.447 0.698 0 50 ECAA CS(=O)(=O)N[C@H]1CN(C(=O)Cn2cc(Cl)cn2)C[C@@H]1C1CC1 92098458 CSICGOXJQORGMY-NEPJUHHUSA-N 346.840 0.323 0 50 ECAA Cc1ccc(N2CCN(C)[C@]3(CCC(=O)N(CC(=O)O)CC3)C2)nn1 91504350 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O=C(O)[C@H]1C[C@H](O)CN1S(=O)(=O)c1cc(Cl)c(F)cc1F 2325791708 UHWZMADHBXPEIY-SSDLBLMSSA-N 341.719 0.827 0 50 ECAA O=C([C@@H]1C2CCN1CC2)N1CC[C@@H](Cc2nn[nH]n2)C(F)(F)CC1 2325810092 LMURPVWRWHIFPU-AAEUAGOBSA-N 340.378 0.710 0 50 ECAA Cn1ccc(C2(C(=O)N[C@@H]3CCCN(C(=O)[C@@H]4CCO4)C3)CC2)n1 2325827349 CWPXDCUSGBBGLJ-OLZOCXBDSA-N 332.404 0.348 0 50 ECAA O=C(CCC(=O)N1CCN([C@@H]2C[C@H]3CC[C@H]2C3)CC1)N1CCOCC1 247029536 SIOYKVJMRGPYCS-YESZJQIVSA-N 349.475 0.958 0 50 ECAA CC(C)CN1C[C@@H](C(=O)N(C)CC2(CO)CCOCC2)CC1=O 65456449 ORPDPARPLCTZTH-AWEZNQCLSA-N 326.437 0.738 0 50 ECAA CCn1ncnc1CN1CCC[C@H](CNC(=O)c2ccc[nH]c2=O)C1 67804052 MBZWRSJOFYZTDS-CYBMUJFWSA-N 344.419 0.628 0 50 ECAA NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(C(=O)O)c(Cl)c1 230957531 HALUOVXMIQSLMZ-SNVBAGLBSA-N 332.765 0.677 0 50 ECAA COC(=O)[C@H]1CN=C(O)CN1C(=O)c1ccnc(O[C@H]2CCOC2)c1 328594405 ILLMEPZVYURLOW-NWDGAFQWSA-N 349.343 0.203 0 50 ECAA Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@@H](N)[C@H]3SC2)s1 4025970 HJSGHKMSDOLGJJ-HZGVNTEJSA-N 344.443 0.520 0 50 ECAA biogenic,in-vitro CCOCCNc1nc(N)nc2c1CCN(C(=O)C1(N)CCC1)CC2 72411025 JUMRRICCGYTFJY-UHFFFAOYSA-N 348.451 0.316 0 50 ECAA Cc1c(CN2CCC[C@@](O)(CO)C2)c(=O)n(-c2ccccc2)n1C 72481104 DGNXMTFXHFDZOE-SFHVURJKSA-N 331.416 0.804 0 50 ECAA O=C(O)[C@@H]1CCN(C(=O)CCn2cc(Br)ccc2=O)C1 237949264 ZKIZKGRFLXUUSH-SECBINFHSA-N 343.177 0.934 0 50 ECAA O=C1CN(C(=O)CN2CCO[C@]3(CCCOC3)C2)c2ccccc2N1 285281747 JNGPVPDXAVUTJB-GOSISDBHSA-N 345.399 0.853 0 50 ECAA COCCN1CCC[C@@H](c2nnc(CN3CCC(O)CC3)n2C)C1 72431932 IHRNOVOLXUADEK-CQSZACIVSA-N 337.468 0.598 0 50 ECAA Cn1c(CCNC(=O)CCc2nc(-c3ccccc3)no2)n[nH]c1=O 77285365 FCXPGZXZAQJQTR-UHFFFAOYSA-N 342.359 0.450 0 50 ECAA CCCS(=O)(=O)N1CCC[C@H]1C(=O)N[C@H]1CCN(CC2CC2)C1 241588113 OZTOACISTCUQGA-GJZGRUSLSA-N 343.493 0.791 0 50 ECAA CN(C)C[C@@]1(O)CCN(C(=O)c2cnc(-c3cccnc3)nc2)C1 72145467 ZNIXFYGRTZTKOJ-KRWDZBQOSA-N 327.388 0.677 0 50 ECAA CC(C)N1CCO[C@@H](CN2CCN(C(=O)c3cncn3C)CC2)C1 329507472 AADFARPVECKXCJ-HNNXBMFYSA-N 335.452 0.287 0 50 ECAA 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330.391 0.735 0 50 ECAA Cc1ccc([C@H](O)CNc2cc(N3CCN(C)C(=O)C3)ncn2)o1 274743564 AOEFQODNPIXJBN-GFCCVEGCSA-N 331.376 0.802 0 50 ECAA O=C1NC(=O)[C@@]2(CCCN(C(=O)Cc3ccc4c(c3)CCO4)C2)N1 279397034 GNLNJGLVDFUPDS-KRWDZBQOSA-N 329.356 0.365 0 50 ECAA CCC(=O)N1C[C@H](NC(=O)c2cnccn2)C[C@H]1C(=O)N(CC)CC 96161854 WVDKAAZVQOCVII-OCCSQVGLSA-N 347.419 0.454 0 50 ECAA CN1CC[C@@H](CC(=O)NC[C@]2(CO)COCC3(CCC3)N2C)C1 636252692 DEPXSUUXQHSLOR-YOEHRIQHSA-N 325.453 0.060 0 50 ECAA CCn1ccnc1[C@H]1OCC[C@@H]1NS(=O)(=O)c1ccnn1C 225430484 DBOGDVQASPUSRL-JQWIXIFHSA-N 325.394 0.445 0 50 ECAA Cn1cc(N2CC[C@@H](Nc3ccc4c(c3)OCC(=O)N4)C2=O)cn1 111372730 ZOHLISJIPKVPLY-CYBMUJFWSA-N 327.344 0.968 0 50 ECAA Cc1nnc2n1C[C@H](C(=O)NCCOc1ncccc1F)N(C)C2 644397023 CPODSVRDWFTYDB-GFCCVEGCSA-N 334.355 0.130 0 50 ECAA C[C@@H](C(=O)N(C)C)S(=O)(=O)N1CCC[C@@H]1CN1CCCCC1 193895476 LFUWDHYUCCEENY-UONOGXRCSA-N 331.482 0.743 0 50 ECAA Cn1nccc1C1CCN(CC(=O)N2CCC[C@H](C(N)=O)C2)CC1 195502780 ZXDNRDAVPCIZPQ-AWEZNQCLSA-N 333.436 0.323 0 50 ECAA CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)Cc1cccs1 1704339667 VSWVHICVUAXJQE-JQWIXIFHSA-N 332.447 0.313 0 50 ECAA NC(=O)[C@@H]1CCCN(CCNc2cc(C(=O)N3CCCC3)ccn2)C1 1704351123 FSARJSTUQICEDM-OAHLLOKOSA-N 345.447 0.927 0 50 ECAA CN1CC[C@@H]2CN(C(=O)c3cn(-c4ccccc4)nn3)C[C@@H]2C1=O 1772812909 RWMKMTAJGITYHI-OCCSQVGLSA-N 325.372 0.818 0 50 ECAA O=C1CCC(C(=O)N2C[C@H]3CNC[C@@]3(CCc3ccccc3)C2)=NN1 1772705679 MNTADPCBPXYVCA-BEFAXECRSA-N 340.427 0.933 0 50 ECAA O=C(N[C@@H]1CO[C@@H]2[C@H](O)CO[C@H]12)c1cnc(Nc2ccccc2)nc1 1857676828 SVOYLBLOGGQHBB-KBUPBQIOSA-N 342.355 0.477 0 50 ECAA CCC[C@@]1(CO)CN(c2ccc(CS(C)(=O)=O)cn2)CC[C@H]1O 1857719683 SNMKRJCWVMXNOB-ZBFHGGJFSA-N 342.461 0.976 0 50 ECAA Cc1[nH]nc(C(=O)NCC2(N3CCOCC3)CCN(C)CC2)c1C 333988137 HXVQSQAAOKXQSK-UHFFFAOYSA-N 335.452 0.553 0 50 ECAA COc1ccc(C(=O)N2C[C@H]3COC[C@@H](C2)CN3CC(=O)O)cc1C 1704312853 CVDTUDQULGPTLB-HIFRSBDPSA-N 348.399 0.861 0 50 ECAA C[C@H]1c2ccccc2CN1S(=O)(=O)CC1CN(S(C)(=O)=O)C1 907014989 MOKLNQBKRITNSY-NSHDSACASA-N 344.458 0.784 0 50 ECAA C[C@@H]1CN(C[C@@H](O)CNS(=O)(=O)c2cccc(Cl)c2)CCO1 2325782685 VRDYZANKWPGJQL-YPMHNXCESA-N 348.852 0.700 0 50 ECAA CN(C)C[C@@H](O)Cn1cnc2c(N3CC(N(C)C4CC4)C3)ncnc21 2325815180 IHPSLASGJCWCTH-CQSZACIVSA-N 345.451 0.032 0 50 ECAA Cc1c(C(=O)N2CCC[C@@H](CS(N)(=O)=O)C2)cnc2ccnn12 2325819440 DVADHHCYLOPMBU-LLVKDONJSA-N 337.405 0.178 0 50 ECAA COc1ccccc1CCNC(=O)CNC(=O)NC1CCC(N)CC1 418381477 GMXCAYIEVNGFFF-UHFFFAOYSA-N 348.447 0.923 0 50 ECAA CC1=C(C(=O)NCCc2nc(-c3cccnc3)n[nH]2)[C@H](C)NC(=O)N1 67605757 BQTYWSKYDGBTIZ-VIFPVBQESA-N 341.375 0.501 0 50 ECAA COC(=O)[C@@H]1C[C@H](NC(=O)CCN2Cc3ccccc3C2=O)CN1C 65461265 STOJZBLFQLPVJA-ZFWWWQNUSA-N 345.399 0.394 0 50 ECAA Cc1ccc(NC(=O)C(=O)N2CCC3(CC2)NCCNC3=O)c(C)c1 67724510 AOVVMCSSTSMDQH-UHFFFAOYSA-N 344.415 0.323 0 50 ECAA C[C@H]1NC(C(=O)N[C@@H]2C=C[C@H](CO)C2)=NN(c2ccccc2)C1=O 151798909 QGBPQLYYXAXHHH-FRRDWIJNSA-N 328.372 0.378 0 50 ECAA CCCN1CC2(CCN(C)CC2)C[C@H]1C(=O)NCCCn1cncn1 72407910 WCIAOGWBDOKFRI-INIZCTEOSA-N 348.495 0.981 0 50 ECAA CC1=C(C(=O)N2CCO[C@@H](c3ccco3)C2)Cn2nnnc2N1C 367163139 ISUKTIWGGRCYBQ-CYBMUJFWSA-N 330.348 0.590 0 50 ECAA CO[C@H]1C[C@@H](CN(C)C(=O)Cn2nnc(-c3ccccc3)n2)N(C)C1 284869938 DTBKEKSQVAJPPO-GJZGRUSLSA-N 344.419 0.518 0 50 ECAA CN1C(=O)C[C@H](C(=O)Nc2cccc(C(N)=O)c2)[C@H]1c1ccnn1C 368341996 QEPHHXHWZKCBAS-WFASDCNBSA-N 341.371 0.677 0 50 ECAA C[C@@H]1CCCN(C(=O)CCN2C(=O)NC3(CCCC3)C2=O)[C@H]1CN 156694440 DVQQZXZTAAIBFL-OLZOCXBDSA-N 336.436 0.827 0 50 ECAA CS(=O)(=O)N1CCN(Cc2nccc(N)n2)Cc2ccccc21 241160514 JXXHRICHYAAOTR-UHFFFAOYSA-N 333.417 0.841 0 50 ECAA CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)NC[C@H]1CN2CCCN1CC2 496469410 LVHWRJLWSIDMFI-UONOGXRCSA-N 338.452 0.502 0 50 ECAA O=C(Cn1nnnc1CN1CCc2ccccc2C1)N1CCCC1 14979603 CQFNAHDLKREWJM-UHFFFAOYSA-N 326.404 0.854 0 50 ECAA CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)NCCCc1scnc1C 219942366 GIKOXNSRGFGCOM-ZDUSSCGKSA-N 335.433 0.971 0 50 ECAA COc1ccc(CC(=O)O)cc1S(=O)(=O)NCC1=CCCOC1 287177172 JVNSBPWWIWTLCH-UHFFFAOYSA-N 341.385 0.947 0 50 ECAA C[C@@H]1CN(S(=O)(=O)c2cn(C)nc2C(F)(F)F)C[C@H]1CO 293039437 JQOJLLILUNHTND-SFYZADRCSA-N 327.328 0.688 0 50 ECAA CCNc1nc(C(=O)N2CCC[C@@]2(COC)C(=O)NC)cs1 616433567 SCDRAWVOYRPSRV-CQSZACIVSA-N 326.422 0.942 0 50 ECAA CC(C)c1ncc(C(=O)N2C[C@@H]3CCN(C)C[C@]3(C(=O)O)C2)c(=O)[nH]1 91893680 IYISGKGEBAXDGW-GTNSWQLSSA-N 348.403 0.372 0 50 ECAA CN1C(=O)C[C@@H](C(=O)O)C12CCN(Cc1cccc(C(=O)O)n1)CC2 95353291 CGOHVNCVMGEEPF-LBPRGKRZSA-N 347.371 0.677 0 50 ECAA Cc1ccc2nc(COCC(=O)N[C@@H]3C=CS(=O)(=O)C3)[nH]c2c1 97675260 WRZWIROHGZUBHG-LLVKDONJSA-N 335.385 0.815 0 50 ECAA O=C(CSCC1CC1)N[C@@H]1CCN(C(=O)c2ccccn2)C[C@H]1O 244707806 KHTJRWIMDRGHQK-UKRRQHHQSA-N 349.456 0.916 0 50 ECAA CN1CC[C@@H]2[C@H](CCCN2C(=O)NCC2CCS(=O)(=O)CC2)C1 183392871 HNFNEKDEVZYKPK-HUUCEWRRSA-N 343.493 0.937 0 50 ECAA C[C@@H](NC(=O)Nc1cccc(N2CCOCC2)c1)c1nnnn1C 252485112 GNQAOQIWGAKREF-LLVKDONJSA-N 331.380 0.929 0 50 ECAA Cc1cc(C)n(Cc2cccc(CNC(=O)[C@@H]3C[C@@H](O)CN3)c2)n1 299747731 DWCWNXPJVXDICD-SJORKVTESA-N 328.416 0.887 0 50 ECAA Cc1csc(CN(C)C(=O)CCN(C)[C@@H]2CCS(=O)(=O)C2)n1 252480504 CBEBPFTXNFDGGT-GFCCVEGCSA-N 345.490 0.919 0 50 ECAA COC(=O)[C@]12CNC[C@]1(C(=O)OC)CN(C(=O)OC(C)(C)C)C2 390769872 KKNRMCVZONLHBG-HUUCEWRRSA-N 328.365 0.159 0 50 ECAA Cc1nc([C@@H]2CCOC2)n(-c2cc(S(N)(=O)=O)ccc2F)n1 584900559 KDSFKCOHSNUOCR-SECBINFHSA-N 326.353 0.866 0 50 ECAA CNC(=O)[C@H]1CC(=O)N(C2CN(C(=O)c3ccc(Cl)cn3)C2)C1 685942925 UINCEHUPZHYSKE-VIFPVBQESA-N 336.779 0.154 0 50 ECAA CN1CC(=O)N(CCN2C(=O)N[C@@](C)(c3ccc(F)cc3)C2=O)C1=O 874435506 VSKIULNQCNQVOG-INIZCTEOSA-N 348.334 0.487 0 50 ECAA CC(C)(C)[C@@H](NC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1)c1nc(=O)o[nH]1 1418162977 HKIJANUSKLWTHO-KCJUWKMLSA-N 348.363 0.343 0 50 ECAA O=C1CN(CCNC(=O)c2cccc(Nc3ncccn3)c2)CCN1 679715406 REPXIMYLOHHVLQ-UHFFFAOYSA-N 340.387 0.382 0 50 ECAA CC(C)NC(=O)CN1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 662335865 SOZSBQGMYBWROV-AWEZNQCLSA-N 334.468 0.523 0 50 ECAA CCN(CC)C(=O)Cn1cc(C(=O)N[C@H]2CCOC(C)(C)C2)nn1 12432716 RUMNNIAFXTUHEJ-LBPRGKRZSA-N 337.424 0.834 0 50 ECAA COCCNC(=O)CN(C)S(=O)(=O)c1cc(F)ccc1OC 12844108 IEMOCJDRANOBQF-UHFFFAOYSA-N 334.369 0.217 0 50 ECAA CN=c1ccc(C(=O)N2CCc3c(cnn3C)[C@@H]2C(=O)N(C)C)c[nH]1 1857532333 BGVGIRNCEPZMFA-OAHLLOKOSA-N 342.403 0.107 0 50 ECAA COc1ccccc1CNC(=O)CN1CCO[C@@H]2C[C@H](CO)C[C@@H]21 1857733463 LMKXIIMOBZCYOL-UKPHBRMFSA-N 334.416 0.783 0 50 ECAA COC[C@]1(C(N)=O)CCCN1C(=O)c1cnc(OC)c(Cl)c1 643938658 UMSRWNTWHLZULF-AWEZNQCLSA-N 327.768 0.850 0 50 ECAA COc1cnc(NC(=O)N2CCO[C@H](CS(C)(=O)=O)C2)s1 931285650 RJXPPYAZLVOLJN-QMMMGPOBSA-N 335.407 0.429 0 50 ECAA CCNc1nc(N)nc(Oc2ccc(O[C@H](C)C(=O)OC)nn2)n1 9201891 ZQEBRIRTBWFYST-SSDOTTSWSA-N 335.324 0.408 0 50 ECAA Cn1c(=O)c2c(ncn2CC(=O)Nc2ccc(F)cc2F)n(C)c1=O 263687 WDEHPLMHKQYELU-UHFFFAOYSA-N 349.297 0.351 0 50 ECAA biogenic O=C(c1cnccn1)N1CCC(N2C[C@H]3COC[C@@]3(CO)C2)CC1 2356138716 GAOOEDFWNQCDSC-GUYCJALGSA-N 332.404 0.022 0 50 ECAA CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(OC)cc1 4628949 IJMFTDFVYAAVNL-NSHDSACASA-N 333.431 0.893 0 50 ECAA C[C@H]1C(=O)N(CC(=O)O)CCN1C(=O)CCN1CCCCCCC1 55052883 UJBODSDQUPKVPY-AWEZNQCLSA-N 339.436 0.787 0 50 ECAA CCn1c2c(=O)[nH]c(=O)n(C)c2n2c(-c3ccc(F)cc3)nnc12 10963382 XXSWFARXNBYIKE-UHFFFAOYSA-N 328.307 0.897 0 50 ECAA Cn1ccnc1C(=O)[C@H]1CCCN(C(=O)CN2CCCCC2=O)C1 20454748 ZTCYTAZJCCTEKW-ZDUSSCGKSA-N 332.404 0.854 0 50 ECAA CCn1c(C)nnc1CN(C)[C@H]1CCN(C[C@@H](O)Cn2cccn2)C1 229915255 LGAKRHVQENBEHS-JKSUJKDBSA-N 347.467 0.370 0 50 ECAA O=C(c1ccc2nccn2c1)N1CCN(C(=O)N2CCOCC2)CC1 68261144 PMKBMUJXCCAWFW-UHFFFAOYSA-N 343.387 0.544 0 50 ECAA COC(=O)[C@H]1C[C@@H](O)CCN1Cc1cc(C)n(-n2cnnc2)c1C 65529602 MDWMPVUSKYSSDJ-LSDHHAIUSA-N 333.392 0.506 0 50 ECAA CNC(=O)[C@@H]1C[C@H](N)CN1C(=O)c1cccc(Cn2cccn2)c1 67774034 FQINMGSRWMNNFU-GJZGRUSLSA-N 327.388 0.219 0 50 ECAA NC(=O)[C@@H]1C[C@@H](F)CN1Cc1ccccc1OCC(=O)NCC1CC1 284636671 MCILGUJIJQVFBG-CABCVRRESA-N 349.406 0.989 0 50 ECAA O=C([C@@H]1CC(=O)N(c2ccccn2)C1)N(CCO)Cc1cccnc1 362415415 ZWTQIGIKMIOOAJ-OAHLLOKOSA-N 340.383 0.851 0 50 ECAA CCCN1CCN(C(=O)c2[nH]cnc2C)[C@H]2CS(=O)(=O)C[C@H]21 77408008 OEFVKWOPORNUOA-NEPJUHHUSA-N 326.422 0.052 0 50 ECAA CN1C(=O)[C@H]2CC[C@@H]1CN(S(=O)(=O)N(C)Cc1ccccc1)C2 72439103 OGXHBTSYFHZNNM-LSDHHAIUSA-N 337.445 0.916 0 50 ECAA O=C(O)C[C@@H]1CN(C(=O)Cn2cnc3ccccc3c2=O)CCO1 262856033 VXQLHWNTCRCTMX-LLVKDONJSA-N 331.328 0.099 0 50 ECAA C[C@H]1OCCN(Cc2nc(Cc3cccc(F)c3)no2)[C@@H]1C(N)=O 285252555 RIYPVWCSCQLTST-BMIGLBTASA-N 334.351 0.874 0 50 ECAA COCc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)N1CCC[C@H](C)C1 246054261 VCYCMEBVVZHEBA-RYUDHWBXSA-N 343.453 0.826 0 50 ECAA Cc1ccc(CN2CCN(CC(=O)O)[C@@H]3CS(=O)(=O)C[C@@H]32)s1 77422315 OBRAVSXQWFSMEM-QWHCGFSZSA-N 344.458 0.424 0 50 ECAA Cc1cc(C)n(CCCNC(=O)N2CC[C@H](CS(N)(=O)=O)C2)n1 426500053 FMQHYGQKRVZIJQ-ZDUSSCGKSA-N 343.453 0.210 0 50 ECAA COCc1noc(CNC(=O)Cn2ccc([C@@H]3CCCNC3)n2)n1 426518973 NKUFSJJXBKTZGB-LLVKDONJSA-N 334.380 0.196 0 50 ECAA CC(C)n1ccnc1[C@H]1CCCN(C(=O)c2cn(C)c(=O)[nH]c2=O)C1 95525086 LHYCCYHTILEBAW-LBPRGKRZSA-N 345.403 0.871 0 50 ECAA CCOC(=O)N1CCN(C(=O)c2ccccc2-c2nnn[nH]2)CC1 96153868 CJLYNLLEHQFHPM-UHFFFAOYSA-N 330.348 0.781 0 50 ECAA Cc1nc([C@H]2CCCN(C(=O)NCCSc3cnn[nH]3)C2)n[nH]1 426544768 KMSWRJHPFWUSRX-JTQLQIEISA-N 336.425 0.913 0 50 ECAA COCCn1cnnc1CNC(=O)[C@H]1CCC(=O)N(C2CCCC2)C1 91691734 RZAYHWHUSIZGQM-ZDUSSCGKSA-N 349.435 0.722 0 50 ECAA O=C(c1n[nH]c2ccccc12)N1CCN(Cc2c[nH]cn2)C[C@H](O)C1 97088294 ZACYCKFSQYCIID-ZDUSSCGKSA-N 340.387 0.605 0 50 ECAA Cc1cccc(CN2C[C@@H]3CC[C@H](C2)N(CC(=O)N(C)C)C3=O)n1 91780811 ALIBANYQWBMNKO-GOEBONIOSA-N 330.432 0.901 0 50 ECAA CSCc1noc(CN2C[C@H]3CN(C(C)=O)C[C@@]3(C(=O)O)C2)n1 91644374 ADCITIXRJMRILE-HZMBPMFUSA-N 340.405 0.298 0 50 ECAA Cc1ccc(F)c(NC(=O)CN2CCN3C(=O)CN(C)C(=O)[C@@H]3C2)c1 244882651 XVVMPWRIYGDLGV-AWEZNQCLSA-N 348.378 0.057 0 50 ECAA Cn1cc(CCC(=O)N[C@H]2C[C@H](c3nnc(CO)n3C3CC3)C2)cn1 244778761 PVZIEKCQVGQCML-JOCQHMNTSA-N 344.419 0.834 0 50 ECAA COCCN1C[C@H](C(=O)N2[C@H](C(=O)O)C[C@@H]3CCCC[C@@H]32)CC1=O 299745065 VXLQTJGDRGZPKJ-CRWXNKLISA-N 338.404 0.726 0 50 ECAA O=C([C@H]1CCCO1)N1CCCN(S(=O)(=O)N2CCCCC2)CC1 368912389 RYEFLCOFUSNESE-CQSZACIVSA-N 345.465 0.430 0 50 ECAA Cc1ccc(C(=O)N2CC[C@@H](NS(=O)(=O)N(C)C)[C@H](O)C2)s1 299800143 WLJSBANKTBQTPX-GHMZBOCLSA-N 347.462 0.028 0 50 ECAA CCCc1ccc(CN2CC[C@@H](NS(=O)(=O)N(C)C)[C@H](O)C2)o1 299787755 YCMIGBZLNQMFMW-HUUCEWRRSA-N 345.465 0.563 0 50 ECAA Cc1cnn(CC(=O)N2C[C@H]3COCC[C@@]3(O)[C@@H]3COCC[C@@H]32)c1 299757081 MHADJEHFTIWUJA-IVSAIRAKSA-N 335.404 0.206 0 50 ECAA NC(=O)C[C@@H]1CN(C(=O)CCc2ccc3c(c2)CCCO3)C[C@H]1O 1875403383 VGLHJCFUOMWLNE-HUUCEWRRSA-N 332.400 0.639 0 50 ECAA Cc1nccc(N[C@@H]2COCC[C@@H]2NC(=O)Cc2cnn(C)c2C)n1 952887364 ALKFOOZZVHCLDK-LSDHHAIUSA-N 344.419 0.755 0 50 ECAA Cc1nnc2ccc(C(=O)N[C@H]3COC[C@H]3Oc3cnn(C)c3)cn12 888094432 OJGOCWVKFMBIFL-UONOGXRCSA-N 342.359 0.347 0 50 ECAA CN(C1CCCCC1)S(=O)(=O)N1CCO[C@@H](c2nc[nH]n2)C1 1775993658 UMTLCLIZDLYAOW-GFCCVEGCSA-N 329.426 0.687 0 50 ECAA CS(=O)(=O)N1CCCC[C@H]1C(=O)Nc1ccc(OCCO)nc1 1413700259 IBDCRLPDAQNAHY-LBPRGKRZSA-N 343.405 0.205 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CC[C@@H]1CCCCN1C(=O)[C@@H](C)N1CCN(C(=O)[C@H](C)O)CC1 245776482 UBMMNXAYBWEDRF-QLFBSQMISA-N 325.453 0.691 0 50 ECAA CS(=O)(=O)NCCC(=O)NCCc1nc2ccccc2s1 42476696 OQYVXXDLLVIVED-UHFFFAOYSA-N 327.431 0.894 0 50 ECAA CCC(=O)NCc1cc2n(n1)CCN(CC(=O)NC[C@@H]1CCCO1)C2 426484416 HTOYNULXNKGASY-HNNXBMFYSA-N 349.435 0.020 0 50 ECAA CN1CCc2ncnc(N3CCC[C@@H](C(=O)N4CCOCC4)C3)c2C1 222191880 XXFFEHPPHZRQLN-CQSZACIVSA-N 345.447 0.540 0 50 ECAA C[C@@H]1CN(CCCS(=O)(=O)N(C)C)CC[C@@]1(O)C1CCOCC1 91846140 YVNHHRODSAQDSE-ZBFHGGJFSA-N 348.509 0.767 0 50 ECAA CN1CCCN(C[C@@H]2CN(C(=O)NC3CCCC3)C[C@@H]2CO)CC1 92004032 UGDWXBDPAKJBCH-HZPDHXFCSA-N 338.496 0.816 0 50 ECAA CN1CC[C@@]2(CCC1=O)CN(CC(=O)N1CCCCC1)CCN2C 92097026 NUSWMTUFMXSVSG-SFHVURJKSA-N 336.480 0.627 0 50 ECAA Cn1c(CO)nnc1[C@H]1C[C@@H](NC(=O)CCc2csc(N)n2)C1 244723856 MISXBQCEJFTCRG-WAAGHKOSSA-N 336.421 0.341 0 50 ECAA CN(C)CCNC(=O)C[C@H]1N=C(O)N(Cc2cccc(F)c2)C1=O 252570767 XCOQPPDAVZXKHQ-CYBMUJFWSA-N 336.367 0.518 0 50 ECAA 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337.351 0.265 0 50 ECAA O=C(Nc1cccc(Br)c1)N[C@@H]1CS(=O)(=O)C[C@H]1O 864062835 LJMPUDIBQVAQPK-NXEZZACHSA-N 349.206 0.729 0 50 ECAA NC(=O)c1cc2n(n1)CC1(CCN(CCOCC3CC3)CC1)OC2 1775962010 NTIGAAMYDWPMHS-UHFFFAOYSA-N 334.420 0.773 0 50 ECAA CCc1ncoc1C(=O)N1CC2(C1)CN(C(=O)[C@@H]1CCOC1)CCO2 965325554 UQMHLYCPJDRYAJ-GFCCVEGCSA-N 349.387 0.327 0 50 ECAA NS(=O)(=O)c1cccc(F)c1N1CCO[C@@H]([C@@H]2CCCO2)C1 631162056 WNMRFTAJRRAWHR-NWDGAFQWSA-N 330.381 0.857 0 50 ECAA O=S(=O)(c1cccc2c1OCCO2)N1CCOC[C@@]12CCOC2 282439734 GOLHAZAFFKIQAI-HNNXBMFYSA-N 341.385 0.638 0 50 ECAA Nc1ncnc2c1ncn2CCC(=O)N[C@@H]1COc2ccccc2C1 666391669 LQRLSNGPQQRRNK-LBPRGKRZSA-N 338.371 0.919 0 50 ECAA CN(C)Cc1cccc(C(=O)N2CC[C@@](O)(Cn3ccnn3)C2)c1 671605091 SCJYJXHSFSHLDD-KRWDZBQOSA-N 329.404 0.617 0 50 ECAA CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)CCc1cccnc1 1704315770 VXQIQKAGKANESA-KBPBESRZSA-N 341.433 0.037 0 50 ECAA CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)c1c(F)cccc1F 1704345232 UCXZPWWCDXBMGN-CABZTGNLSA-N 348.371 0.601 0 50 ECAA CN(CCc1ccccn1)[C@@H]1CCCN(S(=O)(=O)N(C)C)C1 11874124 WPWVOUORBULOBN-OAHLLOKOSA-N 326.466 0.827 0 50 ECAA CNC(=O)c1cccnc1N1CCC(Cn2cc(CO)nn2)CC1 19771047 CAAMIDKSYBMRHJ-UHFFFAOYSA-N 330.392 0.442 0 50 ECAA CN=c1[nH]c(N2CC[C@H](C3CC3)[C@H]2c2nnc(O)n2C)ncc1F 1857532659 AFCKPBFTLRFPBN-KOLCDFICSA-N 333.371 0.891 0 50 ECAA CNC(=O)c1nc(C)c(C)c(N2CC[C@@H](NCc3cc[nH]n3)C2)n1 1857529723 HHRQOXVVDNCJOY-CYBMUJFWSA-N 329.408 0.545 0 50 ECAA CC[C@]12COC(=O)N1CCN(C(=O)c1cnc3ccccn3c1=O)C2 1857672513 FUIXZTUTILGOTK-KRWDZBQOSA-N 342.355 0.751 0 50 ECAA C[C@H]1CN2C[C@H](NC(=O)c3cnnn3-c3ccccc3)C[C@H]2CO1 1857691950 HTORIXSLHCKMNN-GUTXKFCHSA-N 327.388 0.859 0 50 ECAA Cc1nc[nH]c1CN1C[C@@H]2OC(=O)N(CCCN3CCOCC3)[C@@H]2C1 247995850 AAOJPFKMTMXNCB-CVEARBPZSA-N 349.435 0.445 0 50 ECAA Cn1cc([C@@H]2OCCC[C@H]2C(=O)N2CC(=O)N(CC3CC3)C2)cn1 671559262 LFZBYFKMYAAEGD-ZBFHGGJFSA-N 332.404 0.926 0 50 ECAA CCCn1c(C)nnc1CN1CCC[C@@H](S(=O)(=O)N(C)C)C1 375628427 CGOVTTVECUMMCC-CYBMUJFWSA-N 329.470 0.852 0 50 ECAA 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C[C@H]1Cc2cc(C(=O)N3CCN(C)CC3)ccc2N1S(C)(=O)=O 10324443 OBMHFCOJKZRUFE-LBPRGKRZSA-N 337.445 0.785 0 50 ECAA Cc1noc(C)c1CNC(=O)CNS(=O)(=O)c1cccs1 62519896 VWRSCZJLQJHWNR-UHFFFAOYSA-N 329.403 0.948 0 50 ECAA C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)N1CCC[C@@H](c2ccncn2)C1 229495579 GCPRBBFEOHSLBN-KFWWJZLASA-N 345.447 0.768 0 50 ECAA CCn1nc(C)c(CCNC(=O)Cn2ncc(N(C)C)cc2=O)c1C 20406342 HCIJGKBTGYTXLK-UHFFFAOYSA-N 346.435 0.501 0 50 ECAA O=S(=O)(NCC1(N2CCOCC2)CCOCC1)c1cccs1 333214642 VGJRZCMUBBACJX-UHFFFAOYSA-N 346.474 0.908 0 50 ECAA CC(=O)N1CCN(C(=O)[C@@H](C)n2cnnc2Nc2cccnc2)CC1 329622748 URLZNUYEVCFSLV-GFCCVEGCSA-N 343.391 0.668 0 50 ECAA CC(=O)N1CCC(C(=O)N2CCCO[C@@H](Cn3cccn3)C2)CC1 216515878 CTHVGELTXRMTRC-MRXNPFEDSA-N 334.420 0.759 0 50 ECAA CO[C@@H]1C[C@@H](c2ncn[nH]2)N(C(=O)COc2c(C)nn(C)c2C)C1 284701976 YXQHQFUBHMRZIZ-NEPJUHHUSA-N 334.380 0.522 0 50 ECAA CCOc1ncccc1NC(=O)Cc1cc(S(N)(=O)=O)cn1C 362508875 HVTSWSCNKZALHE-UHFFFAOYSA-N 338.389 0.647 0 50 ECAA 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333.436 0.348 0 50 ECAA Cc1[nH]cnc1CN1C[C@@H]2CC[C@H](C1)N(C(=O)CCn1cncn1)C2 91848940 NIXKCBHFJQHJIJ-LSDHHAIUSA-N 343.435 0.823 0 50 ECAA O=C1NC(=O)[C@@H](CC(=O)N2CCC(c3nnc4ccccn34)CC2)N1 97597462 ALOINGXDJCOQLT-LLVKDONJSA-N 342.359 0.033 0 50 ECAA C[C@H](NC[C@]1(CO)COCC2(CCC2)N1C)C1CCN(C)CC1 624080276 LGYKPFHRXHBFJR-YJBOKZPZSA-N 325.497 0.922 0 50 ECAA O=C(NCC(F)(F)CO)NC1CCN(Cc2ccccn2)CC1 184244400 BRXSGDAZUCIVOS-UHFFFAOYSA-N 328.363 0.973 0 50 ECAA O=C(COC[C@H]1CCCO1)NCCn1[nH]c(=O)c2ccccc2c1=O 299788734 XPNHGHQVHXOROW-GFCCVEGCSA-N 347.371 0.002 0 50 ECAA COC[C@H]1CCCN1S(=O)(=O)NC(C)(C)CN1CCOCC1 824371103 YKNUJLNEAPGLKC-CYBMUJFWSA-N 335.470 0.042 0 50 ECAA COc1ccc(Cc2nc(C3(C(N)=O)CC3)n(CCO)n2)cc1OC 828776651 FBAKBKWNOKPXLD-UHFFFAOYSA-N 346.387 0.395 0 50 ECAA CC(=O)NCCCc1ncnn1-c1cc(S(N)(=O)=O)ccc1F 670457024 YJWSSBDEUYRQCW-UHFFFAOYSA-N 341.368 0.123 0 50 ECAA Cn1c(O)nnc1C[C@H]1CCCC[C@H]1NC(=O)CN1CCOCC1 685942049 MJVDTSALBXLOOE-CHWSQXEVSA-N 337.424 0.070 0 50 ECAA 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CN(C)C(=O)CONC(=O)Nc1cc([C@H]2CCCOC2)nn1C 1875264024 JHWYMRNYGVVLLI-JTQLQIEISA-N 325.369 0.455 0 50 ECAA CN1C[C@@H](c2cc[nH]c(=N)n2)C2(C1)CN(C(=O)Cc1cscn1)C2 1875393223 JFNQLNDOBLFDCZ-LBPRGKRZSA-N 344.444 0.446 0 50 ECAA CN(C)[S@](C)(=O)=NC(=O)[C@@H]1CCCN(CC(F)(F)F)C1=O 1775991433 LUPTVOVYXQLLGN-HXNGOWOSSA-N 329.344 0.888 0 50 ECAA CC(=O)N1CCC[C@H]1C(=O)N1CCCN(Cc2cnc(C)cn2)CC1 989520320 XLZYYXJNGIAACA-KRWDZBQOSA-N 345.447 0.830 0 50 ECAA CC(=O)N[C@H]1CCN(C(=O)c2cn(C)nc2-c2ccco2)C[C@H]1O 991142187 LIHNQHGLEGUJJJ-QWHCGFSZSA-N 332.360 0.392 0 50 ECAA CNS(=O)(=O)CCNC(=O)N1CCC[C@@H](N2CCCC2)CC1 188305984 JFEIHYDQCMSKBW-CYBMUJFWSA-N 332.470 0.196 0 50 ECAA NS(=O)(=O)c1ccccc1N1CCN(C(=O)Cc2ccoc2)CC1 188897402 XIFPNSNDLVVMFC-UHFFFAOYSA-N 349.412 0.818 0 50 ECAA Cc1nnc(COC2CN(C(=O)[C@H]3COc4ccccc4O3)C2)o1 644208682 NJXJDMMXCFMTHN-CQSZACIVSA-N 331.328 0.945 0 50 ECAA CC(C)(C)C(=O)N1CCC[C@H](C(=O)N[C@@H]2CCO[C@@H]2C(=O)O)C1 659169522 DSDMQBBTDSXELX-TUAOUCFPSA-N 326.393 0.629 0 50 ECAA 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O=C(O)[C@H]1CS(=O)(=O)CCN1C(=O)c1cc(F)cc2nc[nH]c12 647743074 WSUAIRNRAQKXTC-SNVBAGLBSA-N 341.320 0.026 0 50 ECAA COCCN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)c1n[nH]c3c1CCC3)C2 247815389 AXQUZSDPYCEGAU-NEPJUHHUSA-N 332.404 0.608 0 50 ECAA O=C(CN1CC[C@@](O)(Cn2ccnn2)C1)Nc1ccc(Cl)cn1 671554118 NFLCTBOIWXNMKL-AWEZNQCLSA-N 336.783 0.402 0 50 ECAA O=C(NCCc1nc(=O)o[nH]1)[C@@H](c1ccccc1)N1CCCCC1=O 253426322 GNNKVGLFZCZRQB-OAHLLOKOSA-N 344.371 0.775 0 50 ECAA CNS(=O)(=O)CC(=O)N1CCC[C@@](CO)(c2ccccc2)C1 367289202 JEHFMQVBWMFIDL-OAHLLOKOSA-N 326.418 0.088 0 50 ECAA O=c1cc(CN2CC[C@@]3(CO)CCCN[C@@H]3C2)nc2sccn12 1704335332 DIADOTSOUCBBHS-CZUORRHYSA-N 334.445 0.692 0 50 ECAA Cn1cc(CN2CCCN(C[C@@H]3CCCS3(=O)=O)CC2)cn1 929569354 MGRSHLIZKYEMSD-HNNXBMFYSA-N 326.466 0.505 0 50 ECAA Cn1nc(C(F)(F)F)cc1CN1CCS(=O)(=O)C[C@@H]1CCO 932306946 KWZDHSNPKVMIFT-VIFPVBQESA-N 341.355 0.420 0 50 ECAA NC(=O)[C@@H]1CCCN1C1CCN(C(=O)[C@@H]2CC[C@H]3CCCCN23)CC1 857841492 CFWJZZFLSYTTDO-PVAVHDDUSA-N 348.491 0.944 0 50 ECAA NC(=O)NC1(C(=O)N2CC[C@@H](NC(=O)c3ccoc3)[C@@H]2C2CC2)CC1 2325879449 VZNZLMHYMFURTG-OLZOCXBDSA-N 346.387 0.590 0 50 ECAA COC(=O)[C@@H](CCCNC(=N)N)NS(=O)(=O)c1ccc(C)cc1 2496336 FKMJXALNHKIDOD-GFCCVEGCSA-N 342.421 0.078 0 50 ECAA CC(C)Oc1ccc(C(=O)NCCNC(=O)c2nonc2N)cc1 2877707 XYYQIPZCUHQXBN-UHFFFAOYSA-N 333.348 0.599 0 50 ECAA CS(=O)(=O)N1CCCN(Cc2nc(O)c3sccc3n2)CC1 52491155 PTMLGJIVNJCDEY-UHFFFAOYSA-N 342.446 0.864 0 50 ECAA CC[C@@]1(C2CCN(Cc3cnc(COC)nc3)CC2)NC(=O)NC1=O 67854855 RSMKWEDHRQMBPH-KRWDZBQOSA-N 347.419 0.823 0 50 ECAA CCn1c(C2CCN(C(=O)c3cnc(OC)nc3)CC2)n[nH]c1=O 67650432 HBVAGVAUTNMTGI-UHFFFAOYSA-N 332.364 0.410 0 50 ECAA CNC(=O)[C@@H]1C[C@H](N)CN1C(=O)c1cc(OC)nc2ccccc12 67673435 QWUVTIPXACVUTN-HZMBPMFUSA-N 328.372 0.531 0 50 ECAA CCn1ccnc1CN1CCN(C[C@@H](O)Cn2cccn2)C[C@H]1C 252474598 ICTYDDKPZFCCER-HZPDHXFCSA-N 332.452 0.667 0 50 ECAA CN1CCNC(=O)C12CCN(CCn1c(=O)oc3ccccc31)CC2 67955909 BPXFBCYZGYGGPE-UHFFFAOYSA-N 344.415 0.491 0 50 ECAA Cc1ccc([C@H](O)Cc2nc3c(O)nc(=O)n(C)c3nc2O)cc1 253536366 XRIAZFVPHSVWOI-LLVKDONJSA-N 328.328 0.719 0 50 ECAA Cn1nc(C(=O)N[C@@H]2CC(=O)N(CC3CCCCC3)C2)ccc1=O 14968756 XMVMENSTPBMLGM-CYBMUJFWSA-N 332.404 0.691 0 50 ECAA CN(C[C@@H]1C[C@H](F)CN1c1ccncn1)c1cncc2nncn12 377162198 QKJJMCVEVGAASW-RYUDHWBXSA-N 328.355 0.968 0 50 ECAA NS(=O)(=O)N1CCN(Cc2cnc(C3CCCCC3)nc2)CC1 215190218 YTLYBWJUPJCKBY-UHFFFAOYSA-N 339.465 0.845 0 50 ECAA Cc1oc(-c2cnn(C)c2)nc1C(=O)NC[C@@H](C)N1CCOCC1 177400736 XLVQDWFYYUBYIJ-LLVKDONJSA-N 333.392 0.834 0 50 ECAA Cc1noc(C)c1[C@@H]1CCCN1C(=O)c1c[nH]nc1-n1cnnn1 223717252 GJVRQCXCZIAVBI-NSHDSACASA-N 328.336 0.968 0 50 ECAA C[C@H](N)C1CCN(C(=O)CCn2c(=O)[nH]c(=O)c3ccccc32)CC1 178832386 HTHAPINFGHKLJK-LBPRGKRZSA-N 344.415 0.666 0 50 ECAA COc1cccc2c1OC[C@@H](C(=O)NCCS(=O)(=O)N(C)C)C2 95352379 PMVBHPRCWKXULF-LBPRGKRZSA-N 342.417 0.254 0 50 ECAA CN(CCc1cn[nH]c1)C(=O)[C@H]1CC(=O)N(Cc2cccnc2)C1 95392726 SNQUJDCMRMHTAT-HNNXBMFYSA-N 327.388 0.854 0 50 ECAA Cn1cnnc1CN1C[C@H]2CN(C3CCCCC3)C[C@@]2(C(=O)O)C1 96180157 QUAJXIAXZRRNFJ-GUYCJALGSA-N 333.436 0.966 0 50 ECAA Cc1ncccc1CN1C[C@@H]2CN(S(C)(=O)=O)C[C@]2(C(=O)O)C1 96164773 DOEABZRRSWAZHE-UKRRQHHQSA-N 339.417 0.168 0 50 ECAA COC(=O)N1CCN(C(=O)[C@H]2CC(=O)N(Cc3cccnc3)C2)CC1 97594819 DDMWEZCVBNCWFW-AWEZNQCLSA-N 346.387 0.341 0 50 ECAA CCc1ncc(C(=O)N2C[C@H](CO)[C@H](CN(C)CCN(C)C)C2)cn1 91320506 OPIQLTVESROSEN-HZPDHXFCSA-N 349.479 0.213 0 50 ECAA COCCc1noc(CN2CCC3(CC2)C(=O)NCCCN3C)n1 244564046 CLSOVYNUWMHGTI-UHFFFAOYSA-N 337.424 0.045 0 50 ECAA Cc1nc(CN2CCN(C(=O)CN(C)Cc3ccncc3)CC2)no1 244900164 ZXGMLDAEELVGAT-UHFFFAOYSA-N 344.419 0.549 0 50 ECAA CC[C@@H](C)[C@H](CO)NC(=O)CCc1c(C)nc2nc(C)nn2c1O 252548551 QBPMJDLWJDSBHC-RNCFNFMXSA-N 335.408 0.903 0 50 ECAA CNc1nc(NCCc2cnc(=O)n(C)c2O)cc([C@@H]2CCOC2)n1 299775372 BTZIVOJLBINGKQ-LLVKDONJSA-N 346.391 0.476 0 50 ECAA Cc1ccc(S(=O)(=O)N2CC(N[C@@H]3CCC(=O)N(C)C3)C2)cc1 825176847 LVYPFZTXVFIBOL-CYBMUJFWSA-N 337.445 0.578 0 50 ECAA COC(=O)c1c(NC(=O)CN(C)C(=O)OC)c2cccnc2n1C 952884760 NEUCSIXTDOZKKL-UHFFFAOYSA-N 334.332 0.997 0 50 ECAA COCCS(=O)(=O)NC(=O)[C@H](C)n1ccc(C(F)(F)F)n1 870198642 DUSDQOKZYULFTN-ZETCQYMHSA-N 329.300 0.555 0 50 ECAA CN(C)C/C=C/C(=O)N[C@H]1COCCN(C(=O)OC(C)(C)C)C1 1875376707 GEVGHXCRYUAFTE-KTRBRXNASA-N 327.425 0.856 0 50 ECAA CC(C)Cc1noc(CN2CCN([C@]3(C(=O)O)CCOC3)CC2)n1 886071876 MRIHEDWMZQCFBA-MRXNPFEDSA-N 338.408 0.629 0 50 ECAA CC(=O)NCc1cc(O[C@@H]2CCN([C@H]3CCN(C)C3=O)C2)ccn1 886071868 FZTIZTGJYGBUKM-CVEARBPZSA-N 332.404 0.402 0 50 ECAA O=C(CN1CCCC[C@@H](O)C1=O)N1CC(COc2ccccc2)C1 886078100 LOKMNIRXHKFDOL-MRXNPFEDSA-N 332.400 0.897 0 50 ECAA COc1ccnc(CN2CCC[C@@](O)(Cc3nncn3C)C2)c1OC 888077658 NWLQZCWZRIPBOA-QGZVFWFLSA-N 347.419 0.797 0 50 ECAA O=C1CCC(C(=O)N[C@H]2CCOC[C@@H]2OCc2cscn2)=NN1 1565507495 QCUHKFDOKRFZLH-JQWIXIFHSA-N 338.389 0.199 0 50 ECAA NS(=O)(=O)c1cnc(N2CCN(c3ccc(O)cc3)CC2)s1 301115912 OPQYOGXWNXTYKE-UHFFFAOYSA-N 340.430 0.823 0 50 ECAA Cc1ccccc1-n1nc(C(=O)NC[C@@H](O)C(N)=O)c2c1CCC2 408515046 ULEOQPLNOSOYLA-CQSZACIVSA-N 328.372 0.245 0 50 ECAA CC(=O)c1cccc(O[C@@H](C)C(=O)N[C@@H](C)C(=O)NCCN(C)C)c1 408516617 JPAWRJFJCSCBIM-JSGCOSHPSA-N 349.431 0.839 0 50 ECAA CC[C@H](NC(=O)c1ccc(S(=O)(=O)NC)nc1)C(OC)OC 408521347 PYPKMJNTCRJOQH-JTQLQIEISA-N 331.394 0.117 0 50 ECAA CCN(CC)S(=O)(=O)N[C@@H]1CCCN(c2ccnn2CC)C1=O 189158501 MLTJCEHDWYQZOC-GFCCVEGCSA-N 343.453 0.575 0 50 ECAA Cc1cc(N2CC[C@@H](n3cc(Cn4ccnc4)nn3)C2=O)n(C)n1 641099268 FBQFCIAJILWFPP-CYBMUJFWSA-N 326.364 0.543 0 50 ECAA Cc1cc(CS(=O)(=O)N[C@@H]2CCC[C@@H]2N2CC[C@@H](O)C2)on1 643771091 IKWPJZAXTSHADX-BNOWGMLFSA-N 329.422 0.390 0 50 ECAA Cn1ccnc1[C@@H]1OCC[C@H]1CNS(=O)(=O)CC1CCOCC1 659997415 CIFCHNDHTWGNDK-UONOGXRCSA-N 343.449 0.844 0 50 ECAA C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)C2(C(=O)O)CC=CC2)CC1 663112464 JUKVKHZTXHALKZ-LBPRGKRZSA-N 335.404 0.219 0 50 ECAA Cc1cc(C)n(Cc2ccc(N3C[C@H]4CNC[C@]4(CO)C3)nc2)n1 1772710570 XSNOHHSEOPUEEA-SJLPKXTDSA-N 327.432 0.961 0 50 ECAA 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Cc1cnc(-c2ccn(C)n2)nc1C(=O)NN1CCCN(C)C1=O 2325799711 RUIALDQWYSXYBL-UHFFFAOYSA-N 329.364 0.588 0 50 ECAA CC(=O)N/C(=C/c1ccc(OC(C)=O)cc1)C(=O)N1CCOCC1 284665 OWJHJZAAYNZSSF-LFIBNONCSA-N 332.356 0.948 0 50 ECAA CN1CCN(c2ccc(C(=O)N3C[C@H]4COC[C@@]4(CO)C3)cc2)CC1 2356135160 RONSRRDDWCSVCW-LPHOPBHVSA-N 345.443 0.519 0 50 ECAA Cc1nc(CN2CCN(C(=O)[C@@H]3CN(C)CC[C@H]3O)CC2)cs1 2356143689 SGZLZDKGEPRRPW-HUUCEWRRSA-N 338.477 0.408 0 50 ECAA N=c1nc(C(=O)NC[C@@H](O)c2cccc(O)n2)c2c([nH]1)CCCC2 2356145388 ADCAUQBRHIIAAY-GFCCVEGCSA-N 329.360 0.332 0 50 ECAA CO[C@@H]1[C@@H](C)[C@@H](NS(=O)(=O)CCCN2CCOCC2)C1(C)C 331474587 UWLHSNSPUPVGTI-BFHYXJOUSA-N 334.482 0.688 0 50 ECAA Cn1c(CCC(=O)N2C[C@H]3C[C@H](O)[C@@H](O)C[C@H]3C2)nc2cccnc21 71416349 JKYDNLCGDMYEGV-NEBZKDRISA-N 344.415 0.491 0 50 ECAA CN1CCO[C@H](CCNC(=O)c2ccc(-c3nnn(C)n3)cc2)C1 67473393 OMZFKCVSNCCGLW-CQSZACIVSA-N 330.392 0.328 0 50 ECAA CCCn1nc2c(cc1=O)CN([C@@H](C)C(=O)NC[C@H]1CCCO1)CC2 257366311 RHOHGAGWGNDQOM-DZGCQCFKSA-N 348.447 0.695 0 50 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COCCN(C)C[C@H](O)Cn1c(=O)n(C)c2cc(Cl)ccc21 1875298281 VSVDFOIHPJJAOR-LBPRGKRZSA-N 327.812 0.933 0 50 ECAA CCN1C[C@@H](C(=O)N2CC[C@@](C)(NC(=O)C(F)(F)F)C2)CCC1=O 1875269798 HKIWSBSDDJGDHF-IINYFYTJSA-N 349.353 0.914 0 50 ECAA C[C@H]1CN=C(N2CCN(C(=O)[C@H](O)[C@@H]3COC(C)(C)O3)CC2)S1 1875323837 VBIJXLCSWYIBIV-SDDRHHMPSA-N 343.449 0.134 0 50 ECAA C=CC(=O)N1CC([C@H](C)NC(=O)[C@H]2CC(c3cnn(C)c3)=NO2)C1 1875389172 FJCHOIBWXQLTPU-IINYFYTJSA-N 331.376 0.062 0 50 ECAA Cc1nc(=N)[nH]c(=NCC2(CNC(=O)C[C@@H]3CC[C@H]4C[C@@H]34)CC2)[nH]1 1875408545 YRXSQIOWIDDTEH-RWMBFGLXSA-N 330.436 0.759 0 50 ECAA O=C(c1cc[nH]n1)N1CCC(S(=O)(=O)N2CCCCC2)CC1 886174156 PDBUTNRIVORUJR-UHFFFAOYSA-N 326.422 0.830 0 50 ECAA NC(=O)[C@H]1CCCN(c2ccc(C(=O)NCCn3cncn3)cc2)C1 1776002131 PHRGFQUIELBWNH-AWEZNQCLSA-N 342.403 0.410 0 50 ECAA C=CC(=O)NCCC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1CO 1339387284 OWUFUOOLNXXVKM-LBPRGKRZSA-N 341.408 0.119 0 50 ECAA CC(C)(C(=O)N[C@@H]1CCCN(c2ncccn2)C1)N1CCOCC1 279301946 ZZLQOQJOUCHAIH-CQSZACIVSA-N 333.436 0.672 0 50 ECAA CNC(=O)C[C@@]1(O)CCCN(CC(=O)N2CCCc3ccccc32)C1 643813920 LCSOTOGYPMGQHM-IBGZPJMESA-N 345.443 0.929 0 50 ECAA CN(C)c1nc(N)nc(CN2CCSC[C@H]2c2cnn(C)c2)n1 191219971 DOZMGWPCUBSXLF-NSHDSACASA-N 334.453 0.543 0 50 ECAA C[C@H]1Oc2ccccc2N(CC(=O)Nc2ncn(CC(=O)O)n2)C1=O 647782563 RTTSZMPKFUIUFS-SECBINFHSA-N 345.315 0.115 0 50 ECAA O=C(NCc1ccccc1-n1ccnc1)[C@H]1CC[C@H](C(=O)O)NC1 657213062 LKUQTHUROQOZBC-UONOGXRCSA-N 328.372 0.941 0 50 ECAA CC1(C)C[C@@]1(C(=O)O)C(=O)N1CCC(n2cnc(C(N)=O)c2N)CC1 663119596 OPOFVONZEHFESY-INIZCTEOSA-N 349.391 0.229 0 50 ECAA Cc1ccc(F)c(OCC(=O)N2CC[C@@](O)(Cn3ccnn3)C2)c1 671500467 VNJRJTPUNGHVEQ-INIZCTEOSA-N 334.351 0.768 0 50 ECAA NS(=O)(=O)N1CCC(Nc2ncccc2Br)CC1 698597845 OZPZCCTUTBELHU-UHFFFAOYSA-N 335.227 0.924 0 50 ECAA CC(C)C[C@H]1C(=O)N2CCN(Cc3ccncc3)C[C@@H]2C(=O)N1C 14542195 APNYKWSFKXBDLG-JKSUJKDBSA-N 330.432 0.981 0 50 ECAA C[C@H]1CN(C(=O)Cc2cc(O)nnc2O)CCN1c1ccc(F)cn1 1857673156 NTRPJZXIDVSGHH-JTQLQIEISA-N 347.350 0.702 0 50 ECAA CN1CCO[C@@H](Cn2ccnc2-c2cnc(N3CCOCC3)nc2)C1 1857677876 PKWPFTQMIQVGBW-OAHLLOKOSA-N 344.419 0.507 0 50 ECAA CCCN=c1ncc(CN2CCC3(CC2)CNC(=O)CCO3)c[nH]1 1857727640 WGHLQIKKYSAGEO-UHFFFAOYSA-N 333.436 0.592 0 50 ECAA O=C(N[C@H]1COc2cccc(Cl)c21)C1=NN(CCO)C(=O)CC1 366527922 JRLJUOSKDHEEQG-NSHDSACASA-N 337.763 0.860 0 50 ECAA NC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCC[C@@H](C(=O)O)C2)c1 262197836 HRNUAEBEMNEYMV-MRVPVSSYSA-N 346.792 0.924 0 50 ECAA CN1C[C@H](c2nc(-c3cccc(OCC(F)F)n3)no2)NCC1=O 904650207 VWNYZPDLHSWQAF-SECBINFHSA-N 339.302 0.878 0 50 ECAA COc1ccc(C)cc1S(=O)(=O)N1CC[C@H](O)[C@@H](C(=O)O)C1 1704315766 VSNBTIHSRITYDD-QWRGUYRKSA-N 329.374 0.460 0 50 ECAA CCOc1ccc(C)cc1S(=O)(=O)N1CC[C@H](O)[C@@H](C(=O)O)C1 1704344081 JULAWEFOKGTWNH-RYUDHWBXSA-N 343.401 0.850 0 50 ECAA O=C(CCNC(=O)c1ccccc1O)N[C@H](Cc1cnc[nH]1)C(=O)O 1857533528 BQINEFLEYGSIDQ-GFCCVEGCSA-N 346.343 0.047 0 50 ECAA C[C@H](c1nnnn1C)N1CCN(C(=O)[C@@]23CCCC[C@@H]2OCC3)CC1 2325860567 LMBPMUYAXBCRCX-JKIFEVAISA-N 348.451 0.765 0 50 ECAA COc1ccc2cc(C(=O)N[C@@H]3CCC(=O)NC3=O)c(=O)oc2c1 1857798164 SBOCFMAQHNLHFH-LLVKDONJSA-N 330.296 0.337 0 50 ECAA CN1CC[C@@H](O)[C@H](C(=O)N2CCC(OCc3ccccn3)CC2)C1 2356134279 HINSMHXPYFQKTI-IAGOWNOFSA-N 333.432 0.902 0 50 ECAA C[C@@H](Sc1nncn1C)C(=O)N1CCC[C@H](Cn2ccnn2)C1 328638017 BDYWMTCTKCDOHS-NEPJUHHUSA-N 335.437 0.826 0 50 ECAA COc1nc(C)cc(C)c1CNC(=O)[C@H]1CCCN(CC(N)=O)C1 63884830 JUGDFEWUPLUTQL-ZDUSSCGKSA-N 334.420 0.521 0 50 ECAA CCN1CCN(C2CCN(C(=O)[C@@H](O)c3cccnc3)CC2)C1=O 371764774 HMKVNYJPSKLWNC-HNNXBMFYSA-N 332.404 0.864 0 50 ECAA Cc1cccc(N2CCN(C(=O)NC[C@@H]3CC(C(N)=O)=NO3)CC2)c1 239761303 CJLQYIGFEHDSLL-AWEZNQCLSA-N 345.403 0.457 0 50 ECAA CNC[C@H]1CCCN(C(=O)c2ccc(F)c(S(=O)(=O)NC)c2)C1 158950330 XKVGGPBHMZKUIN-LLVKDONJSA-N 343.424 0.805 0 50 ECAA COc1cncc([C@H](NC(=O)CN2CCOCC2)[C@H]2C[C@H](O)C2)c1 219545339 OLOPIQHTGHQHSK-HACGYAERSA-N 335.404 0.351 0 50 ECAA CC(C)CN1C[C@H](C(=O)NCCNC(=O)c2cccnc2)CC1=O 32365281 OIUDNWYTVPEUSO-CQSZACIVSA-N 332.404 0.432 0 50 ECAA CCc1nc(C)sc1C(=O)N1CCN(CC(=O)OC)C(=O)[C@H]1C 71752280 WUWRRDRVMASUPQ-SECBINFHSA-N 339.417 0.860 0 50 ECAA COC(=O)C[C@H]1C(=O)NCCN1C(=O)c1cccc2c1NCCC2 71753493 AVSDOZVDOFQEQG-ZDUSSCGKSA-N 331.372 0.548 0 50 ECAA O=C(NC1(C(=O)O)CCOCC1)[C@@H](Cc1ccccc1)n1cnnn1 223466352 JYKSIBHSXTUSKM-CYBMUJFWSA-N 345.359 0.207 0 50 ECAA Cn1cc(CN(Cc2cnn(C)c2)S(=O)(=O)c2cnn(C)c2)cn1 20602092 WQIAOWGWCKYKHU-UHFFFAOYSA-N 349.420 0.278 0 50 ECAA C[C@H]1CN(C(=O)Cc2cn3ccccc3n2)CCN1S(C)(=O)=O 180311940 JRRFEWSUPJITRR-LBPRGKRZSA-N 336.417 0.369 0 50 ECAA Cc1nc(C)c(CC(=O)N2CCCN(S(C)(=O)=O)CC2)s1 97785411 GRUQNVDXPFBQBK-UHFFFAOYSA-N 331.463 0.796 0 50 ECAA CCS(=O)(=O)N1C[C@@H]2CN(Cc3ccoc3)C[C@]2(C(=O)O)C1 91829975 UDXPTOGHDXRZKP-JSGCOSHPSA-N 328.390 0.448 0 50 ECAA COCCc1noc(CN2CC[C@@]3(CCCN(CCO)C3=O)C2)n1 91745629 DWLDOCQYLZKOOK-INIZCTEOSA-N 338.408 0.065 0 50 ECAA Cc1ncsc1CCN(C)C(=O)NCCSc1nnnn1C 426528140 XLUYFNZJWVASSH-UHFFFAOYSA-N 341.466 0.951 0 50 ECAA O=C(CCc1ccccn1)N1CC[C@@]2(CCCN(CCO)C2=O)C1 91434629 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CNC(=O)CNC(=O)N[C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 363752620 UIKKIAVDTCBKLC-OWCLPIDISA-N 330.432 0.942 0 50 ECAA COc1nc2c(cc1CNC(=O)CCO)C(=O)N(C1CCCC1)C2 71753149 GITXTVLHCBEAFJ-UHFFFAOYSA-N 333.388 0.987 0 50 ECAA CN1CCCc2ccc(S(=O)(=O)N3C[C@H](O)C[C@H]3C(=O)O)cc21 366643078 OKRUAKQHDNRWAF-RISCZKNCSA-N 340.401 0.278 0 50 ECAA CC(C)N(CCO)C(=O)c1cn(C[C@H]2COc3ccccc3O2)nn1 72166336 SLKJWPIMOWIMTC-ZDUSSCGKSA-N 346.387 0.961 0 50 ECAA Cn1cncc1[C@@H]1CN(C(=O)Cc2ccc3c(c2)CCO3)C[C@H]1N 864353003 BNKRSUFEYMMLDQ-HUUCEWRRSA-N 326.400 0.851 0 50 ECAA CC(=O)Nc1nc(C(=O)N2CCO[C@H](c3n[nH]c(C)n3)C2)cs1 374147821 WIARTKBPMCMTPR-JTQLQIEISA-N 336.377 0.742 0 50 ECAA CCN1CCN(C2(C(=O)N3CC[C@H](O)C3)Cc3ccccc3C2)CC1 19220618 ZYETZHHZANCZHY-SFHVURJKSA-N 343.471 0.755 0 50 ECAA CCN1CC[C@@H]1C(=O)N[C@H](C)CN1CCN(c2ccccn2)CC1 1444440550 PRIRNXCYXZPQMY-HZPDHXFCSA-N 331.464 0.803 0 50 ECAA Cn1nc2n(c1=O)C[C@H](C(=O)NCCc1cn3ccsc3n1)CC2 223179896 VQQVKGNMZDDPBY-SNVBAGLBSA-N 346.416 0.212 0 50 ECAA COC[C@H](C)NC(=O)NCc1cccnc1N1CCC[C@@H](C(N)=O)C1 221735667 ZYJHHMBKMSYBHO-GXTWGEPZSA-N 349.435 0.617 0 50 ECAA COCC(=O)N1CCC[C@H](C(=O)N2CCN(Cc3ccco3)CC2)C1 97694831 RAHMKZGXGAWBDY-HNNXBMFYSA-N 349.431 0.809 0 50 ECAA Cc1noc2ncnc(N3CCN(Cc4cncn4C)C[C@H](O)C3)c12 97088560 XGQITRWAPYIRCZ-ZDUSSCGKSA-N 343.391 0.343 0 50 ECAA Cc1cc(NC(=O)CN2CCN(C3CCOCC3)C[C@H](O)C2)no1 97681714 JXKVCJVHBMUCOT-CQSZACIVSA-N 338.408 0.079 0 50 ECAA C[C@]12CCC(=O)N1[C@@H](C(=O)NCc1nc(C(=O)O)cs1)CS2 268908557 QQTHGTBCTADPMM-OQPBUACISA-N 341.414 0.912 0 50 ECAA CC(=O)N1CCN(c2cc(C)nc(N3CCCCC3)n2)C[C@@H](O)C1 91321023 MPVNZTMNTMNPFG-HNNXBMFYSA-N 333.436 0.805 0 50 ECAA CCCN1C(=O)N[C@@H](CC(=O)N(C)CCc2c(C)n[nH]c2C)C1=O 244690991 JAPBPOSIGMVXKY-ZDUSSCGKSA-N 335.408 0.748 0 50 ECAA CNS(=O)(=O)CC(=O)N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1 182887538 ULJWNCVISGYGLH-VIFPVBQESA-N 349.815 0.723 0 50 ECAA COc1ccnc(N2CCC(C(=O)N3CC[C@@H](C(=O)O)C3)CC2)n1 299744445 SFUQOLPWHIYJNP-GFCCVEGCSA-N 334.376 0.635 0 50 ECAA CC(C)[C@H](CO)NC(=O)C[C@H]1N=C(O)N(Cc2ccccc2)C1=O 252572048 YVZAQRVGDUEQKA-KGLIPLIRSA-N 333.388 0.835 0 50 ECAA O=C(NCC1CCS(=O)(=O)CC1)c1nc(O)c2ccccc2n1 253537340 OVVZKDCVVCRTIS-UHFFFAOYSA-N 335.385 0.890 0 50 ECAA O=C(Cn1cccnc1=O)N[C@@H]1CCCN(Cc2cccnc2)C1 299792844 GRJICWYGAQJYJC-OAHLLOKOSA-N 327.388 0.419 0 50 ECAA COC1CCN(S(=O)(=O)NCCCN2CCC[C@@H](CO)C2)CC1 824300401 MSBMTQSBMWCQLP-CQSZACIVSA-N 349.497 0.026 0 50 ECAA O=C1N[C@@H](C(=O)NCCc2noc(C3CC3)n2)Cc2ccccc21 670464090 KZCVLYJXOZFXAP-CYBMUJFWSA-N 326.356 0.960 0 50 ECAA O=C1CC[C@@H](N2Cc3cc(C(=O)N4CCC4)ccc3C2=O)C(=O)N1 1875288866 HRUOVFSKAUMFSR-CYBMUJFWSA-N 327.340 0.294 0 50 ECAA C=CC(=O)N1CC(C(=O)N[C@@H]2CCS(=O)(=O)c3ccccc32)C1 1875387548 MUYJCRZBYYWQTG-CYBMUJFWSA-N 334.397 0.666 0 50 ECAA C=CC(=O)N(C)CC(=O)N1CCC[C@H](C(=O)NCC(F)(F)F)C1 1875366232 UMJBTKKHCIFBJF-JTQLQIEISA-N 335.326 0.548 0 50 ECAA CCN1CCN(CC(=O)NC[C@H]2CC(=O)N(c3ccccc3)C2)CC1 952965838 SAKAJVKIOGAACR-MRXNPFEDSA-N 344.459 0.793 0 50 ECAA CN1CCCC[C@H](C(=O)Nc2ccc(C3=NNC(=O)CO3)cc2)C1=O 1775992848 WJRMUIJLOGZPSL-CYBMUJFWSA-N 344.371 0.692 0 50 ECAA C[C@H](CN1CCOCC1)Cn1cc(S(=O)(=O)N(C)C)ccc1=O 1413935537 PBBVPKGVKMULDB-CYBMUJFWSA-N 343.449 0.067 0 50 ECAA C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)c1ccc(-n2cnnn2)cn1 655072913 XNMHNSADQXSWGG-TZMCWYRMSA-N 327.392 0.756 0 50 ECAA O=C1N(CC2CC2)CCC[C@@]1(O)CNCc1cn2c(n1)SCC2 12307054 WHHOLGWWTLHZOT-MRXNPFEDSA-N 336.461 0.842 0 50 ECAA COc1ccc(CN2CCN3C(=O)[C@H]4CCCN4C(=O)[C@H]3C2)cc1 14732229 ARYCPRXCYOROFG-HZPDHXFCSA-N 329.400 0.713 0 50 ECAA N[C@@H]1C[C@H](C(=O)N2CCN(Cc3ccc(F)c(F)c3)CC2)C[C@H]1O 1857731467 RDJORUAWWKJOOS-APHBMKBZSA-N 339.386 0.707 0 50 ECAA Cc1ncc(C(=O)N[C@H]2CO[C@@H]3[C@@H](O)CO[C@H]23)c(-c2ccccc2)n1 1875248748 LBRRKYCPHYQKDJ-XJNFMUPTSA-N 341.367 0.709 0 50 ECAA O=C(O)[C@@H]1Cn2c(O)nnc2CN1C(=O)c1ccc2c(c1)CCC2 333648123 YMQAVOVYEOPKJW-LBPRGKRZSA-N 328.328 0.582 0 50 ECAA COC(=O)[C@H](CNC(=O)CCCNC(=O)c1ccc(F)cc1)OC 253419919 LSMALFOOWYSYLA-ZDUSSCGKSA-N 340.351 0.640 0 50 ECAA CN1C[C@H](C(=O)NCC2(N3CCOCC3)CC2)c2ccccc2C1=O 376552382 CTFHOMYHAFTRDV-INIZCTEOSA-N 343.427 0.837 0 50 ECAA O=C(O)CN1CCCC[C@@H](NC(=O)Cc2ccc(Cl)cn2)C1=O 902420613 DCANEJHLZMDEGO-GFCCVEGCSA-N 339.779 0.859 0 50 ECAA NC(=O)[C@@]1(O)CCCN(C(=O)Cc2cccc(Br)c2)C1 285756443 ZQCCKZALMDEZDS-CQSZACIVSA-N 341.205 0.830 0 50 ECAA O=S(=O)(NC1CC1)c1ccc(N2CCCN(CCO)CC2)cc1 320891324 MVFUVMPBDMHALT-UHFFFAOYSA-N 339.461 0.632 0 50 ECAA Cc1nn(C)c(C)c1CCNC(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O 122144725 IHRPXDFDLVDYDV-KRWDZBQOSA-N 347.419 0.416 0 50 ECAA CCN1CCN(C(=O)CCc2cnn(C)c2)C[C@@H]1c1nccn1C 328640934 XQHMOYXSURNUOU-OAHLLOKOSA-N 330.436 0.992 0 50 ECAA CNC(=O)CC1CCN(C(=O)[C@H](c2ccccc2)n2cnnn2)CC1 67982930 WMRFDJHHILZTCH-INIZCTEOSA-N 342.403 0.637 0 50 ECAA CCn1c([C@@H]2CCCN(C(=O)CCN3CCCO3)C2)nn(C)c1=O 67954349 HZADLMPKXBEKRF-CYBMUJFWSA-N 337.424 0.335 0 50 ECAA CNS(=O)(=O)C[C@H]1CCCN1C(=O)Cc1cc(F)ccc1OC 331080014 XCUACGJGPDHLHU-CYBMUJFWSA-N 344.408 0.917 0 50 ECAA CC(C)Cc1cc(C(=O)NCCc2nnc3n2CCNCC3)[nH]n1 67885548 DLBSLEHVJYRRPR-UHFFFAOYSA-N 331.424 0.318 0 50 ECAA CO[C@H]1C[C@@H](C(=O)NCc2ccc(N3CCOCC3)nc2)N(C)C1 331877839 OSXSJHLOIMFYPB-GJZGRUSLSA-N 334.420 0.254 0 50 ECAA CNC(=O)[C@@H]1C[C@@H](N)CN1C(=O)c1cnn(-c2ccccc2OC)c1 67834332 XXYWWSPTNQLMJB-OCCSQVGLSA-N 343.387 0.169 0 50 ECAA CS(=O)(=O)N1CCO[C@@H](CNCc2nc(-c3ccco3)no2)C1 65454703 SKUAJMJFXFGRJZ-JTQLQIEISA-N 342.377 0.080 0 50 ECAA Cn1ncnc1CCNC(=O)[C@H]1CC(=O)N(c2cccc(F)c2)C1 218998441 JPLIOBOPQVQSCK-NSHDSACASA-N 331.351 0.666 0 50 ECAA Cn1nc(C(=O)N2CCC[C@H](C(=O)NC3CC3)C2)c2c1CCNC2 34928761 UXCWPKRLCGSOGT-NSHDSACASA-N 331.420 0.197 0 50 ECAA CN1C(=O)CC[C@H](C(=O)NCc2nnc(N)o2)[C@H]1c1ccccc1 354838191 CQJCZGZYIOQJCZ-SMDDNHRTSA-N 329.360 0.878 0 50 ECAA Cc1cc(C)n(CC(=O)N[C@@H](CC(C)C)c2ncnn2C)c(=O)n1 219930836 QPNXOCNAEQTORZ-ZDUSSCGKSA-N 332.408 0.892 0 50 ECAA O=S(=O)(c1c(Cl)nc2ccccn12)N1CCO[C@H]2CNC[C@H]21 366984340 WBEJUHLRZOSBAG-ZJUUUORDSA-N 342.808 0.349 0 50 ECAA 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0 50 ECAA Cc1cc(C)n(C[C@@H]2CCCN2CC(=O)N[C@H]2CCCCNC2=O)n1 247944749 VZYFXAUEDHRFSA-HOTGVXAUSA-N 347.463 0.749 0 50 ECAA CC(=O)N1CCn2nc(C(=O)N(CCO)Cc3ccccc3)cc2C1 65385604 KWUORTMQNWKGEP-UHFFFAOYSA-N 342.399 0.880 0 50 ECAA CC[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)Nc1ncc(OC)cn1 328596639 KNDMGUVINCKHCT-NEPJUHHUSA-N 333.392 0.509 0 50 ECAA COc1ccc(C(=O)N2CCN(C)[C@@H](C(=O)O)C2)c(OC)c1OC 67688518 SOCODNVOIIVPFV-LLVKDONJSA-N 338.360 0.553 0 50 ECAA CO[C@@H]1[C@@H](C)[C@H](NS(=O)(=O)CCCN2CCOCC2)C1(C)C 331474594 UWLHSNSPUPVGTI-MELADBBJSA-N 334.482 0.688 0 50 ECAA O=C1NC2(CCCC2)C(=O)N1CCn1nnn(-c2ccccc2)c1=O 126230135 BEFWGGHYXVUMIU-UHFFFAOYSA-N 342.359 0.294 0 50 ECAA CC(C)NC(=O)[C@@H]1C[C@H](N)CN1C(=O)c1cc2c([nH]c1=O)CCCC2 67473397 IXIDJAOBAKAHPU-WFASDCNBSA-N 346.431 0.320 0 50 ECAA CC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)Cc3ccccc3)[C@H]2SC1 2856905 CIPQGGYPCPIDBB-SWLSCSKDSA-N 332.381 0.988 0 50 ECAA biogenic CN1CC[C@H](N(C)S(=O)(=O)c2cccc(C(=O)NCCF)c2)C1 216153153 OBGFYDFRZHFJNR-ZDUSSCGKSA-N 343.424 0.711 0 50 ECAA Cc1ccc(-n2cc(C(=O)N3CCO[C@H](C)[C@H]3C(N)=O)nn2)cc1 285279218 IIKJWTYHMNKZDS-RISCZKNCSA-N 329.360 0.291 0 50 ECAA CCN1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccccc2O)CC1=O 363862990 ZWBUVQMWCSNJIG-CQSZACIVSA-N 345.399 0.688 0 50 ECAA CC(=O)N1CCC[C@@](O)(C(=O)N2CCN(c3ccccc3F)CC2)C1 285765791 BEBNZUBUBBTTND-SFHVURJKSA-N 349.406 0.848 0 50 ECAA CN1CC[C@H]2OCCN(C(=O)Cn3c(=O)cnc4ccccc43)[C@H]2C1 285935477 VIGQNLACHAXGID-JKSUJKDBSA-N 342.399 0.328 0 50 ECAA CCCN1CC2(CCN(C)CC2)C[C@H]1C(=O)NCCc1ncnn1C 72447702 XRLDVJISOAGZHS-HNNXBMFYSA-N 348.495 0.670 0 50 ECAA COc1cccc(CN2CCNC(=O)[C@@H]2CC(=O)N(C)C)c1OC 72151185 JHPKXAFHXOZSOB-ZDUSSCGKSA-N 335.404 0.483 0 50 ECAA COc1cccc(N2C[C@H](NC(=O)C3=NNC(=O)CC3)CC2=O)c1 218858819 GOFCNJUOBVKACV-SNVBAGLBSA-N 330.344 0.183 0 50 ECAA CN1CC[C@@H](N(C)S(=O)(=O)c2cccc(C(=O)NCCF)c2)C1 216153200 OBGFYDFRZHFJNR-CYBMUJFWSA-N 343.424 0.711 0 50 ECAA CN1C(=O)c2ccc(C(=O)N3CCO[C@@H](CC(=O)O)C3)cc2C1=O 262889334 ZZTWXILIRUKMTF-JTQLQIEISA-N 332.312 0.228 0 50 ECAA CC(C)C[C@H](NC(=O)c1c[nH]nc1-n1cnnn1)c1ncnn1C 222661123 CQEICABBKDUGAP-JTQLQIEISA-N 330.356 0.031 0 50 ECAA NC(=O)c1cccnc1N1CCC[C@H](c2ccnn2CC(=O)O)C1 426421105 JRDWCMKDAGSIAT-NSHDSACASA-N 329.360 0.846 0 50 ECAA Cc1noc(CN(C)C(=O)NCCCN2CCCC[C@@H]2CO)n1 426510559 BKAUYYDBXHOXFB-CYBMUJFWSA-N 325.413 0.756 0 50 ECAA O=C(Cc1cnccn1)N[C@@H]1COCC[C@@H]1OCc1cscn1 223594572 WCOMBARCBROXGV-KGLIPLIRSA-N 334.401 0.966 0 50 ECAA OCCN=c1[nH]c([C@@H]2CCOC2)cc(=NCc2ccc(CO)cc2)[nH]1 426652836 FWDQTFVBQKJKIO-OAHLLOKOSA-N 344.415 0.333 0 50 ECAA CNC[C@@H]1CCCN1C(=O)c1cc(C(N)=O)n(-c2ccccc2)n1 237128457 JQRGWTWOXSNGRR-ZDUSSCGKSA-N 327.388 0.795 0 50 ECAA O=C(NC[C@@H](O)CO)c1coc(COc2ccc3c(c2)OCO3)n1 91987218 SASIVDNRTOERDA-SECBINFHSA-N 336.300 0.065 0 50 ECAA Cc1cc(C)n(CCC(=O)N2CCC3(CC2)NC(=O)C[C@@H]3C(=O)O)n1 91663512 TYOPYLYNHAGWLO-CYBMUJFWSA-N 348.403 0.472 0 50 ECAA COCCCN1CC2(CCN(C(=O)c3cnccn3)CC2)CC1=O 95361677 KVBJVGGTZQHORC-UHFFFAOYSA-N 332.404 0.968 0 50 ECAA Cc1cccc2c(=O)n(CC(=O)N3CCOC[C@@H]3C(=O)O)cnc12 299752660 UXANOYINXYWOHT-GFCCVEGCSA-N 331.328 0.017 0 50 ECAA C[C@@H](C(=O)N1CC[C@H](C(=O)O)C1)S(=O)(=O)c1ccc(F)cc1 299740969 CNGXHWUJGMKVTL-UWVGGRQHSA-N 329.349 0.921 0 50 ECAA CC(C)n1cc(NC(=O)NCc2ccc(S(N)(=O)=O)cc2)nn1 299776215 MDUFKYZFKCKXRP-UHFFFAOYSA-N 338.393 0.828 0 50 ECAA N[C@H]1CC[C@@H](n2cc(C(=O)N[C@@H]3CCc4c[nH]nc4C3)nn2)CC1 584902527 UTXGXJUVDZQTIB-UPJWGTAASA-N 329.408 0.731 0 50 ECAA CNC(=O)CN(C[C@@H](C)CN1CCOCC1)C(=O)c1ccc(C)o1 1875380377 MVMMUINIWVUENZ-ZDUSSCGKSA-N 337.420 0.745 0 50 ECAA C[C@H](NC(=O)C(=O)N1C[C@H]2CCCC[C@@]2(CN)C1)c1ccnn1C 1875304188 CNEYCSXPSUCINO-OGHNNQOOSA-N 333.436 0.575 0 50 ECAA CNS(=O)(=O)CCNC(=O)CCC(=O)Nc1cccc(F)c1 952869239 YXHUYHFOHWOJPM-UHFFFAOYSA-N 331.369 0.210 0 50 ECAA CCN1CCO[C@@H](CNC(=O)c2cnnn2CC)[C@@H]1c1nccn1C 886027121 GNANVDASBKYOGW-UONOGXRCSA-N 347.423 0.223 0 50 ECAA Cn1ccnc(N2CCN(c3cccc(F)c3C(N)=O)CC2)c1=O 892749502 CKOKESWTNJGLSX-UHFFFAOYSA-N 331.351 0.345 0 50 ECAA CCC[C@H]1CN(C(=O)c2ccc(C)nc2O)C[C@@H]1NS(C)(=O)=O 1565528326 RKEXRZFQSHEGNU-AAEUAGOBSA-N 341.433 0.886 0 50 ECAA C[C@]12CN(C(=O)NCCc3ccns3)C[C@H]1CS(=O)(=O)C2 1471194740 CVWOAOFLVZDXSQ-GXFFZTMASA-N 329.447 0.762 0 50 ECAA Cn1cc([C@@H]2CSCCN2CCN2C(=O)NC(C)(C)C2=O)cn1 191205040 OGKFEPIBYMCAAY-LBPRGKRZSA-N 337.449 0.840 0 50 ECAA CCc1nccn1CCCNC(=O)[C@@H]1CCC(=O)N(CCN(C)C)C1 11935328 JDYSUJPSRCSNEO-OAHLLOKOSA-N 349.479 0.752 0 50 ECAA CCCn1ncc(CN2CC[C@@H](N3CCC(O)CC3)[C@H](O)C2)c1C 15076187 DWLSZXKHDTVICC-QZTJIDSGSA-N 336.480 0.993 0 50 ECAA CCCc1nnc(N2C[C@H](C(=O)NCc3nc[nH]n3)CC2=O)s1 1857718338 DWVOCAXMZBCKHV-MRVPVSSYSA-N 335.393 0.278 0 50 ECAA CS(=O)(=O)N1CCCN([C@@H](C(=O)O)c2ccc(F)cc2)CC1 652385355 DFMGJGXSXDJABO-CYBMUJFWSA-N 330.381 0.919 0 50 ECAA O=C(O)[C@@H]1C[C@H]1C(=O)N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 262719691 FJYPKBDWEKHLGK-JHJVBQTASA-N 344.433 0.560 0 50 ECAA O=C(C[C@H]1COCCN1)NS(=O)(=O)c1cccc2ncccc12 901062221 DWVAWAZUSUBEMQ-NSHDSACASA-N 335.385 0.418 0 50 ECAA Cn1cc(O[C@@H]2COC[C@@H]2NCc2cnnn2-c2ccccc2)cn1 862496394 UTRACWCQAMYKKS-DLBZAZTESA-N 340.387 0.937 0 50 ECAA CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)C3=CCC=CC3)[C@H]2SC1 3830515 RDLPVSKMFDYCOR-UEKVPHQBSA-N 349.412 0.349 0 50 ECAA world Cc1nn(C)c(C)c1CCC(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 54455433 HKVQTVZUPJEUQV-MRXNPFEDSA-N 348.447 0.819 0 50 ECAA Cn1nc(C(=O)O)c2c1CCN(C(=O)c1nn(C)c3c1CCCC3)C2 67956262 DWPIBYHNRRSHBS-UHFFFAOYSA-N 343.387 0.929 0 50 ECAA CC(C)NC(=O)[C@@H]1C[C@H](N)CN1C(=O)C(=O)Nc1ccccc1F 67742420 YAGOVPAORIAYMO-GWCFXTLKSA-N 336.367 0.217 0 50 ECAA C[C@@H]1CCCCN1C1CN(c2cc(N3CCOCC3)nc(N)n2)C1 65403484 VEZJEIAGENHBSB-CYBMUJFWSA-N 332.452 0.958 0 50 ECAA CNS(=O)(=O)C[C@@H]1CCCN1C(=O)c1ccc2c(c1)ncn2C 331886020 NDXUVSVUVKEZAA-LBPRGKRZSA-N 336.417 0.727 0 50 ECAA CN1CC[C@@H]2OCCN(C(=O)c3c[nH]nc3-c3cnn(C)c3)[C@H]2C1 284903623 HIZURFVXFNORIR-KBPBESRZSA-N 330.392 0.355 0 50 ECAA Cc1nc(N(C)C)cc(N2CCN(C(=O)c3ncccn3)CC2)n1 72441241 URVNPDIQJKGBGI-UHFFFAOYSA-N 327.392 0.603 0 50 ECAA CN1CCC(O)(C(=O)N[C@@H]2CCOC[C@H]2OCC2CCC2)CC1 218979301 TVEQKOPVEYIFMA-HUUCEWRRSA-N 326.437 0.534 0 50 ECAA O=C(c1ncn[nH]1)N1CCN(C[C@]2(c3ccccc3)CCOC2)CC1 215161793 HYIZYTYDLTUZRE-GOSISDBHSA-N 341.415 0.921 0 50 ECAA C[C@@H]1OCC[C@@]1(O)CNC(=O)CC1(N2CCOCC2)CCCC1 253429376 SYQDYZOVRRBIPB-WMLDXEAASA-N 326.437 0.678 0 50 ECAA Cn1ncc2c(NCCn3c(=O)[nH]c4ccccc4c3=O)ncnc21 153358999 PLQBJRBXTRGVFV-UHFFFAOYSA-N 337.343 0.479 0 50 ECAA CNC(=O)COc1cccc(CC(=O)N2CCO[C@@H](C3CC3)C2)c1 364501715 FMBKGTXJBSRMEQ-MRXNPFEDSA-N 332.400 0.991 0 50 ECAA COc1ncccc1CN1CCC(N[C@H]2CCS(=O)(=O)C2)CC1 365366258 REKWSRRAJLAJDN-HNNXBMFYSA-N 339.461 0.831 0 50 ECAA COc1ccc(C(=O)N2CC[C@]3(C2)NC(=O)NC3=O)cc1C1CC1 365567053 DFTBMOHQFHRZBQ-QGZVFWFLSA-N 329.356 0.997 0 50 ECAA COCCn1nnnc1[C@H]1CN(Cc2ccnc(C(C)C)n2)CCO1 216526182 GXQAIEQAJQOTJK-CQSZACIVSA-N 347.423 0.806 0 50 ECAA CC1(C)CN(CC(=O)N2CCOC[C@@H]2C2CC2)CCS1(=O)=O 372316413 MVJKYYWMBNUWLX-CYBMUJFWSA-N 330.450 0.133 0 50 ECAA Cc1cc(O)cc(=O)n1CC(=O)N1CCN[C@@H](c2cccnc2)C1 374386756 IEGGXUACYMNUMQ-OAHLLOKOSA-N 328.372 0.430 0 50 ECAA CCn1c(N)nc2cc(C(=O)N3CCN(C(=O)N(C)C)CC3)cnc21 77406319 ZZJLZJYLPJVLBQ-UHFFFAOYSA-N 345.407 0.473 0 50 ECAA Cc1cccnc1N1CCN(C(=O)C[C@H]2CCS(=O)(=O)C2)CC1 82120646 GNLUXMYKLOCVAY-CQSZACIVSA-N 337.445 0.863 0 50 ECAA Cc1ccc(N2CCN(C(=O)c3c[nH]c(=O)[nH]c3=O)[C@@H](C)C2)cc1 77436681 KGMAGTKRNXWAGJ-LBPRGKRZSA-N 328.372 0.723 0 50 ECAA Cn1ccnc1[C@@H](NC(=O)c1cc(-n2cnnn2)ccc1O)C1CC1 223698962 RKVDXJQXLKXDIP-AWEZNQCLSA-N 339.359 0.983 0 50 ECAA O=C(Cn1ccc(=O)[nH]c1=O)N1CCCC[C@H]1CCN1CCCC1 82109311 FABNQOZJKDHNLW-AWEZNQCLSA-N 334.420 0.404 0 50 ECAA CN(C)C[C@@H]1CN(S(=O)(=O)c2ccc(F)c(F)c2)C[C@@H]1CO 91872942 MRHRKGGCOAVEJL-GHMZBOCLSA-N 334.388 0.755 0 50 ECAA Cc1nccn1Cc1nnc([C@H]2CCCN(CC(=O)N(C)C)C2)n1C 95386965 NGFPEIJXUVEWQO-AWEZNQCLSA-N 345.451 0.636 0 50 ECAA CCC[C@H]1CN(S(C)(=O)=O)C[C@@H]1NC(=O)c1cnc(C)nc1 91695844 JMUIMVFOTAORAR-AAEUAGOBSA-N 326.422 0.575 0 50 ECAA NC(=O)c1cc2c(s1)CCN(C(=O)[C@H]1CCCN(C(N)=O)C1)C2 91644235 QNDSRMSAVXNWOU-VIFPVBQESA-N 336.417 0.522 0 50 ECAA Cc1cnc(CN2C[C@H]3CN(C4CCOCC4)C[C@@]3(C(=O)O)C2)cn1 96161584 ZJIJNOGXGDBIOU-KSSFIOAISA-N 346.431 0.782 0 50 ECAA O=C(c1cnc(-c2cccnc2)nc1)N1CCc2nc[nH]c(=O)c2CC1 95356773 UKMYLOYMJIPFBH-UHFFFAOYSA-N 348.366 0.863 0 50 ECAA Cc1nc2c(c(=O)n1C)CN(Cc1cc(=O)n3cccc(O)c3n1)C2 244724525 MVWWOAZZDXASJD-UHFFFAOYSA-N 339.355 0.318 0 50 ECAA O=C(NC[C@]1(O)CCNC1)Nc1cnn(Cc2ccccc2F)c1 299769230 MWGCVTKQWHHVFI-INIZCTEOSA-N 333.367 0.916 0 50 ECAA CC1(C)SC[C@@H](C(=O)NC2CCN(c3cnccn3)CC2)NC1=O 299789739 AFEGYXGIGGZKOG-LBPRGKRZSA-N 349.460 0.572 0 50 ECAA O=C(N[C@@H]1C2CN3CCN(C2)CC1(c1ccccc1)C3)c1ccno1 670473510 QYMLXZLIYTUSOQ-LTCLLZNKSA-N 338.411 0.972 0 50 ECAA O=S(=O)(Cc1ccccc1F)N[C@H]1CCO[C@H]1c1nc[nH]n1 952890609 WQWRKPWBBOUKCA-NWDGAFQWSA-N 326.353 0.893 0 50 ECAA CO[C@@H]1C[C@H](CNC(=O)c2cn[nH]c2)N(c2cc(N(C)C)ncn2)C1 952887034 ISFVBXBSAYPDAS-CHWSQXEVSA-N 345.407 0.289 0 50 ECAA 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349.435 0.147 0 50 ECAA Cc1nc(N(C)C[C@@H](O)CO)nc2cc(S(C)(=O)=O)ccc12 67818622 CIVFBDZGFOXCQD-SNVBAGLBSA-N 325.390 0.131 0 50 ECAA CN(CCc1cn[nH]c1)C(=O)c1cc(CN2CCC(O)CC2)on1 67561372 ZYKKFYARUGXCTG-UHFFFAOYSA-N 333.392 0.669 0 50 ECAA O=C([C@H]1COCCN1CC(F)F)N1CCC[C@H](n2cncn2)C1 329447226 OANNPNJGRANHEK-NWDGAFQWSA-N 329.351 0.408 0 50 ECAA COc1ccc(F)c(CN2CCC[C@@](O)(CNCCCO)C2=O)c1 67868976 FTDZJOUYLNDPNX-QGZVFWFLSA-N 340.395 0.660 0 50 ECAA O=C1C[C@H]2CC[C@@H](CN1)N2C(=O)Cn1cnc2ccsc2c1=O 65384730 HUVACKGKQTZSAY-ZJUUUORDSA-N 332.385 0.338 0 50 ECAA CCCN(C)[C@H]1CN(C(=O)CCn2nnc3ccccc32)C[C@@H]1O 72433155 LUKDAPXEMIRMQD-HOTGVXAUSA-N 331.420 0.735 0 50 ECAA COc1ccccc1[C@@H]1CN(C(CO)CO)[C@@H]2C3CCN(CC3)[C@H]12 72163887 GVCZCBDAWKBDLL-QXAKKESOSA-N 332.444 0.910 0 50 ECAA CNS(=O)(=O)c1ccc(CCC(=O)NCc2ccc(O)nc2)cc1 253426971 UDORXRONMJHYNH-UHFFFAOYSA-N 349.412 0.944 0 50 ECAA CN(C(=O)CN1CCC[C@H]1c1cnn(C)c1)[C@H]1CCS(=O)(=O)C1 257365253 NIHIVBNNYNENTA-KBPBESRZSA-N 340.449 0.203 0 50 ECAA 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0.139 0 50 ECAA CNC[C@H]1CCCN(C(=O)c2ccnc(N3CCN(C)CC3)c2)C1 237082576 QUPFSHTXDUUTLM-OAHLLOKOSA-N 331.464 0.905 0 50 ECAA CN(C(=O)[C@H]1COCCN1)[C@@H]1CCN(c2ccccc2Cl)C1=O 237279380 NVWYOYPDXVMXJG-TZMCWYRMSA-N 337.807 0.892 0 50 ECAA O=C(Cn1cnc2ccccc2c1=O)N1CCC[C@](O)(CO)CC1 72146714 RXCUWVUTDYYBKK-QGZVFWFLSA-N 331.372 0.132 0 50 ECAA CCn1ncc(CNC(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)c1C 6556040 PGJLLOGXMHFJCZ-GFCCVEGCSA-N 328.438 0.499 0 50 ECAA O=c1[nH]c(CC2CC2)nc2c1CCN(Cc1cc3n(n1)CCNC3)C2 72174204 RIFSFJFAUFUCIY-UHFFFAOYSA-N 340.431 0.580 0 50 ECAA O=C(c1cc(=O)[nH]c2ccc(F)cc12)N1CCc2c(nc[nH]c2=O)C1 72119544 SFDBOJDATKXANC-UHFFFAOYSA-N 340.314 0.949 0 50 ECAA O=C(O)[C@@H]1CN(C(=O)CN2CSCC2=O)C[C@H]1c1ccccc1 262930231 OVVJWWLZAKAAPF-QWHCGFSZSA-N 334.397 0.846 0 50 ECAA CN1CCC(N(Cc2ccncc2)C(=O)CN2C(=O)CNC2=O)CC1 72453815 FHATTYFNAPSSQW-UHFFFAOYSA-N 345.403 0.056 0 50 ECAA COc1cccc2c1OCCCN(C(=O)CN1CC(=O)NC1=O)C2 216389506 WSDVRNDINDJALY-UHFFFAOYSA-N 333.344 0.358 0 50 ECAA CC(=O)N1CC(c2nc(CN3C(=O)c4ccccc4C3=O)no2)C1 225526140 QGMFJUMJLMFXLK-UHFFFAOYSA-N 326.312 0.812 0 50 ECAA Cc1cc(C)n(CCC(=O)N2CCc3c(c(CO)nn3C)C2)c(=O)n1 426429817 OFEUNFXRSGVOJR-UHFFFAOYSA-N 345.403 0.061 0 50 ECAA COc1ccccc1[C@@H]1CN(C(=O)CN2CCOCC2)C[C@H]1C(=O)O 92099310 IMVUHVMSOUHWCM-LSDHHAIUSA-N 348.399 0.654 0 50 ECAA Cc1ccnn1CCC(=O)N1C[C@H]2CC[C@@H]1CN(CC(=O)N(C)C)C2 95386583 KUMLOJQMQLWDJT-JKSUJKDBSA-N 347.463 0.593 0 50 ECAA Cc1cnc(CN2C[C@@H]3CN(C(=O)C4CC4)C[C@]3(C(=O)O)C2)cn1 96148660 BWZMCQBRSZICED-CXAGYDPISA-N 330.388 0.540 0 50 ECAA CNC(=O)C[C@@H]1C(=O)NCCN1Cc1cc(=O)c2cc(F)ccc2[nH]1 91595526 YNNOVMYRIOTMGE-CQSZACIVSA-N 346.362 0.104 0 50 ECAA Cn1c(CN2CCC(c3nnc(N)[nH]3)CC2)nnc1[C@H]1C[C@@H](N)C1 244574845 CSFNEXDPEIIQHC-PHIMTYICSA-N 331.428 0.100 0 50 ECAA Cc1cc2c(NC(=O)NCCS(=O)(=O)N(C)C)cccc2nn1 299800815 WFXZCBFSPUURBP-UHFFFAOYSA-N 337.405 0.951 0 50 ECAA O=C1NCCn2ncc(C(=O)N3CCO[C@H](c4ccccc4)C3)c21 1875292307 DCGOBOIUIQQOIP-AWEZNQCLSA-N 326.356 0.840 0 50 ECAA O=C(Nc1ccc(N2CCNCC2)cn1)C1CC(N2CCOCC2)C1 1875360846 KFTSSEOKLCWBCK-UHFFFAOYSA-N 345.447 0.541 0 50 ECAA O=C(c1ccc(-n2ccnn2)cc1)N1C[C@@H]2CCCN2C[C@@H]1CO 1412522559 QIGIDRQWLRLCDC-JKSUJKDBSA-N 327.388 0.548 0 50 ECAA CN(C)C(=O)NCc1cn(CC2(S(C)(=O)=O)CCCCC2)nn1 899730853 OEROJFWHVSJTHO-UHFFFAOYSA-N 343.453 0.797 0 50 ECAA CN(C)c1nccc([C@@H]2CN(C(=O)NCc3cnn(C)c3)CCO2)n1 275512025 WWWHLZQGOOHOIU-AWEZNQCLSA-N 345.407 0.559 0 50 ECAA CN(C)c1nsc(N2C[C@@H](CC(=O)O)[C@@H](c3cn(C)nn3)C2)n1 1076044360 AMBSAHJOVPPQTJ-BDAKNGLRSA-N 337.409 0.427 0 50 ECAA Cn1nnnc1N1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1 685908033 AWHYOQOWYHGNDD-UHFFFAOYSA-N 342.347 0.003 0 50 ECAA Cn1ncc(Cl)c1C(=O)N1CCCN(c2nccc(N)n2)CC1 1772816185 HGZORMRBVAARFA-UHFFFAOYSA-N 335.799 0.798 0 50 ECAA COc1ccc(N2C[C@H](C(=O)N3CCN(C(C)=O)CC3)CC2=O)cc1 11866562 DBXGJYGGZPTLIC-CQSZACIVSA-N 345.399 0.739 0 50 ECAA CN1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(F)cc2)CC1 19999913 IIZJCETWFGCNLL-UHFFFAOYSA-N 329.397 0.220 0 50 ECAA CCc1nc([C@@H]2COC[C@@H]2NC(=O)Cn2ncc(Cl)c2C)n[nH]1 1857530843 QYXDVSTVJCRMES-KOLCDFICSA-N 338.799 0.824 0 50 ECAA Cc1nc2c([nH]1)CN(S(=O)(=O)CC[C@H]1CCS(=O)(=O)C1)CC2 1857691720 ATPPIQZBIMZYLO-LLVKDONJSA-N 347.462 0.231 0 50 ECAA Cc1cccn2cc(C(=O)N3C[C@H]4COC[C@@H](C3)C(=O)N4C)nc12 1875248263 GXRRPLRBVOYWBG-OLZOCXBDSA-N 328.372 0.572 0 50 ECAA COCCCN1C(=O)CC[C@@H]2CN(C(=O)Cn3cncn3)CC[C@@H]21 215615181 QEMJZAURRQHEBL-KGLIPLIRSA-N 335.408 0.154 0 50 ECAA CC[C@H](C)[C@H](N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](C(=O)O)[C@@H](C)CC 2391110 JNTMAZFVYNDPLB-HPCHECBXSA-N 341.452 0.966 0 50 ECAA biogenic,in-vitro Cn1cc(CN2CCC[C@](O)(CC(N)=O)C2)c(-c2cccnc2)n1 643746646 RCWSOEQXWYUMQS-KRWDZBQOSA-N 329.404 0.684 0 50 ECAA Cn1c(=O)c2c(ncn2CC(=O)c2ccc(Cl)cc2)n(C)c1=O 41793 MHUWYWSUSZFVOS-UHFFFAOYSA-N 332.747 0.970 0 50 ECAA CCc1ccc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 263653 HPGCRLDPGZRWJJ-UHFFFAOYSA-N 341.371 0.635 0 50 ECAA biogenic CC(C)C[C@@H](N)C(=O)NCC(=O)N[C@H](Cc1ccccc1)C(=O)O 1709609 KEVYYIMVELOXCT-ZIAGYGMSSA-N 335.404 0.288 0 50 ECAA COCCNC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 4351995 MIJLHWANTQCZLD-UHFFFAOYSA-N 344.408 0.989 0 50 ECAA O=C(CN1CC(=O)NC1=O)NC[C@@H]1CCN(C2CCCCCC2)C1 67893978 DPKNWFILCDPOIB-ZDUSSCGKSA-N 336.436 0.699 0 50 ECAA CN(C)C[C@H]1CN(C[C@@H](O)COCc2ccccc2F)CCO1 229517663 ADKRMGONEYEDHT-CVEARBPZSA-N 326.412 0.966 0 50 ECAA CC(C)OCCNC(=O)N1CC[C@H](Nc2ccc3nccn3n2)C1 435266167 FNBHZWNRNSJOLJ-ZDUSSCGKSA-N 332.408 1.350 0 50 ECAA O=C1CCN(C[C@@]2(O)CCCN(Cc3ccccc3F)C2=O)CCN1 67817045 IEUZXAAEAHSAQP-SFHVURJKSA-N 349.406 0.501 0 50 ECAA CNC(=O)[C@@H]1C[C@H](N)CN1C(=O)c1ccc(OC)c(OC)c1OC 67947072 WZEIHQJSJKYDJJ-ONGXEEELSA-N 337.376 0.000 0 50 ECAA Cn1c(CN2CCCCC2)nnc1[C@@H]1CCCN(C(CO)CO)C1 72475955 MGXMDWJFSQPIRA-CQSZACIVSA-N 337.468 0.334 0 50 ECAA Cc1ncc(CC(=O)N2CCC(C(=O)N3CCCCC3)CC2)c(=O)[nH]1 72458674 BKEVOFVQSSPTDU-UHFFFAOYSA-N 346.431 0.872 0 50 ECAA Cc1nn(C)c(C)c1OCC(=O)N1CCO[C@H](c2cnn(C)c2)C1 151759540 CHOFIWGFNNUKDI-AWEZNQCLSA-N 333.392 0.749 0 50 ECAA Cc1nnc([C@@H](C)N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)o1 253425817 RBNLAPLLLNGWLK-YPMHNXCESA-N 344.437 0.565 0 50 ECAA Cc1noc(COCC(=O)N2CCOC[C@@H]2c2c(C)n[nH]c2C)n1 364101754 XJTNOKVPEJDEPS-GFCCVEGCSA-N 335.364 0.835 0 50 ECAA CCCc1ncncc1C(=O)NC[C@@H]1CCCN(S(C)(=O)=O)C1 216295685 UOCURCUEDOOAER-LBPRGKRZSA-N 340.449 0.831 0 50 ECAA CNC(=O)Cc1noc(CN2CCC[C@H](Oc3ncccc3F)C2)n1 373234921 ZXVHNHHLOXITAT-NSHDSACASA-N 349.366 0.936 0 50 ECAA O=C(NCc1cnc2cnccn12)[C@@H](c1ccccc1)n1cnnn1 219901777 XDJIANTZALEQSF-OAHLLOKOSA-N 334.343 0.622 0 50 ECAA Cc1ccc(N2CCN(C(=O)CN3CCC[C@@H](O)C3)CC2=O)cc1 82156992 SIHCORLJMUIYQW-MRXNPFEDSA-N 331.416 0.627 0 50 ECAA Cc1cc(=O)[nH]c(NCCNc2cc(C3CC(O)C3)nc(C)n2)n1 223218100 SEXPHUGHJZIXGB-UHFFFAOYSA-N 330.392 0.939 0 50 ECAA NC(=O)[C@@H]1CCCN(C(=O)CN2CCO[C@H](c3nccs3)C2)C1 225348948 XALGLHPPDGIMHG-NEPJUHHUSA-N 338.433 0.240 0 50 ECAA Cc1ncsc1CCC(=O)N[C@@H]1CCOC[C@H]1OCC(N)=O 220099378 QGEJHMFTGJWHIY-GHMZBOCLSA-N 327.406 0.160 0 50 ECAA O=S(=O)(c1cccc2cnccc12)N1CCN(CCCO)CC1 182441348 NCPOFFMYEAPTDP-UHFFFAOYSA-N 335.429 0.924 0 50 ECAA CS(=O)(=O)N1CCO[C@H](Cn2cc(-c3nccs3)nn2)C1 95371378 LOAFAFHBFNHGEW-SECBINFHSA-N 329.407 0.062 0 50 ECAA O=C(C1CCCC1)N1C[C@@H]2CN(CCn3cnnc3)C[C@]2(C(=O)O)C1 96132738 UILRHUXUMPRGDE-YOEHRIQHSA-N 347.419 0.313 0 50 ECAA CN(C)CCN1C[C@H](C(=O)N2CCN(Cc3ccco3)CC2)CC1=O 95516916 VPEFHTZHIFXTDI-OAHLLOKOSA-N 348.447 0.334 0 50 ECAA CCNc1ncc(C(=O)N2CCC(O)(CN3CCCC3)CC2)cn1 91621426 XTVLVMHWUJJNOY-UHFFFAOYSA-N 333.436 0.971 0 50 ECAA O=C1CC[C@@H](C(=O)N(CCO)CCO)CN1Cc1ccccc1F 91644401 RYTNWCJOYXTLNA-CQSZACIVSA-N 338.379 0.378 0 50 ECAA NC(=O)CN1CCC[C@@H](C(=O)NCc2cc(-c3ccccn3)no2)C1 91254611 JKRKKQHCGMHQTM-GFCCVEGCSA-N 343.387 0.550 0 50 ECAA CCn1cc(O[C@@H]2CN(S(=O)(=O)c3ccc(C)o3)C[C@H]2O)cn1 625316339 AGLFJSPHGFKNTQ-CHWSQXEVSA-N 341.389 0.617 0 50 ECAA Nc1ccnc(CN2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)n1 183754679 JXTFQNXAPZFZDV-CYBMUJFWSA-N 339.465 0.885 0 50 ECAA COc1ccc2[nH]cc(CCNC(=O)CN3C(=O)CN(C)C3=O)c2c1 603322113 AHLMGJXFFYNUNB-UHFFFAOYSA-N 344.371 0.729 0 50 ECAA CN(C)S(=O)(=O)CCNC(=O)CC1(n2cccc2)CCOCC1 263587876 MGQHBGPNMAZJDL-UHFFFAOYSA-N 343.449 0.392 0 50 ECAA CN1CCCN(CC(=O)NCCc2nc3ccc(F)cc3[nH]2)CC1 299761570 KWXKTLQLBLLZAJ-UHFFFAOYSA-N 333.411 0.998 0 50 ECAA O=C(Cc1ncccc1F)N[C@H]1CCOC[C@H]1Nc1ccncn1 952889015 VFIDPRYYDQSGJK-GXTWGEPZSA-N 331.351 0.939 0 50 ECAA CSC[C@H](O)CN1CC2(C1)CN(C(=O)C(F)F)CC(C)(C)O2 952893845 KDDVFYJGHUSTIU-SNVBAGLBSA-N 338.420 0.667 0 50 ECAA NC(=O)[C@]12CCOC[C@H]1CN(C(=O)c1ccnn1CC1CCC1)C2 952851030 RTOASYRWCDNDOM-DYVFJYSZSA-N 332.404 0.647 0 50 ECAA Cc1cc(C(=O)N2C[C@H](CO)C3(C2)CN(C(=O)[C@@H]2C[C@H]2F)C3)[nH]c1C 1875405137 UYMMXSSRDAWYGG-MGPQQGTHSA-N 349.406 0.882 0 50 ECAA CO[C@@H]1CN(C(=O)c2noc3c2CCCC3)C[C@H]1c1cn(C)nn1 886075739 YOKGQPFVNROYNT-SMDDNHRTSA-N 331.376 0.937 0 50 ECAA Cn1cnnc1C[C@]1(O)CCCN(c2nnnn2-c2ccccc2)C1 886065516 HQRWFCSANASPSW-MRXNPFEDSA-N 340.391 0.365 0 50 ECAA CN(C)C(=O)COC[C@@H]1CN(c2cccc(=O)n2C)CC(C)(C)O1 886040551 LJCBFUGXZWLVJE-ZDUSSCGKSA-N 337.420 0.474 0 50 ECAA CCn1ccc(C(=O)N2CC(N3CCOC[C@H]3c3nc(C)no3)C2)n1 888094134 OPKICELEWUVPEL-AWEZNQCLSA-N 346.391 0.492 0 50 ECAA Cn1ccc(NC(=O)N[C@@H]2CCCN(c3nccn(C)c3=O)C2)n1 275559286 GHNUNVGOYWQLNP-LLVKDONJSA-N 331.380 0.304 0 50 ECAA Cn1ccnc(N2CCC[C@@H](NC(=O)NC[C@@H]3CCCO3)C2)c1=O 276004476 PTHIFBONTURYGK-OLZOCXBDSA-N 335.408 0.227 0 50 ECAA Cn1cnnc1S(=O)(=O)NC[C@@H]1CCCN1C1CCCCC1 632301143 NWGFGXJQSMCMDT-ZDUSSCGKSA-N 327.454 0.891 0 50 ECAA O=S(=O)(C[C@@H]1CCOC1)N1CCN(c2cccc(O)c2)CC1 172658379 AAJQRZINVCSOOZ-CYBMUJFWSA-N 326.418 0.881 0 50 ECAA CNC(=O)C[C@]1(O)CCCN(Cc2cc(OC)c3c(c2)OCO3)C1 643756396 SQVFAQWXHDBBQD-QGZVFWFLSA-N 336.388 0.887 0 50 ECAA C[C@H]1CNCCN1S(=O)(=O)c1ccc(S(C)(=O)=O)c(F)c1 193358933 BQMGVCYYOQIYQY-VIFPVBQESA-N 336.410 0.212 0 50 ECAA COC[C@@H]1CCCN(S(=O)(=O)N2CCC3(CC2)CNC(=O)O3)C1 1506409352 WJZMSYUYWMRYCQ-GFCCVEGCSA-N 347.437 0.164 0 50 ECAA Cc1cccc(C(=O)N[C@@H]2COC[C@H]2CS(=O)(=O)N(C)C)c1F 1704297676 BIZTUIQAYMTNRR-WCQYABFASA-N 344.408 0.770 0 50 ECAA C[C@H]1CN(C(=O)CN2CC(=O)N[C@@H](Cc3ccccc3)C2)C[C@@H](C)O1 1772704732 KXONLKXAFGZBBB-UXLLHSPISA-N 345.443 0.665 0 50 ECAA O=C1NC(=O)c2cc(S(=O)(=O)NCCCO)cc3cccc1c23 5027947 VNYASHPQCMDZAM-UHFFFAOYSA-N 334.353 0.384 0 50 ECAA CC[C@H](O)CNC(=O)CCCn1nnnc1CN1CCC(C)CC1 12437542 VEANYANPJCXCAD-AWEZNQCLSA-N 338.456 0.572 0 50 ECAA Cc1cccnc1N1CCN([C@H]2CN(C(=O)C3CCC3)C[C@@H]2O)CC1 12442565 IQDIGGIDXZLCFM-IRXDYDNUSA-N 344.459 0.884 0 50 ECAA CCN1C(=O)N(CC(N)=O)C(=O)C12CCN([C@H](C)CSC)CC2 14755198 RWQPLDRZROFGGI-LLVKDONJSA-N 342.465 0.342 0 50 ECAA O=C(c1ccccc1-n1cncn1)N1CCO[C@@H]2C[C@H](CO)C[C@@H]21 1857668001 XJYYVSNOCDGXMT-UHOFOFEASA-N 328.372 0.879 0 50 ECAA Cn1nnnc1SCCNC(=O)[C@H]1CC[C@H](c2ccccc2)N1 1857729702 IJPACKCJZVZARX-CHWSQXEVSA-N 332.433 0.912 0 50 ECAA N=c1nc(N2CCOCC2)cc(-c2ccc([C@@H]3CNC(=O)C3)cc2)[nH]1 1875245258 RNWMHLVHYOMOGQ-AWEZNQCLSA-N 339.399 0.996 0 50 ECAA 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O=C(Cn1cnnc1O)N[C@@H]1CCN(C(=O)Cc2ccc(F)cc2)C1 940102321 SGRQZIXWGWKNQF-CYBMUJFWSA-N 347.350 0.083 0 50 ECAA Cc1cccc(OCC(=O)NN2C(=O)[C@@H]3[C@H]4C=C[C@@H](O4)[C@@H]3C2=O)c1 101580069 ARPUQGRHGQAJPR-GBOPCIDUSA-N 328.324 0.343 0 50 ECAA Cc1ccc(N(CC(=O)NCCCN(C)C)S(C)(=O)=O)cc1 10111381 IJPBBZAFRBIPCO-UHFFFAOYSA-N 327.450 0.829 0 50 ECAA Cc1ccc(C2(O)CCN(CC(=O)NC[C@@H]3CCCO3)CC2)nc1 67851052 YUBXKDZKYQTBJB-HNNXBMFYSA-N 333.432 0.969 0 50 ECAA CN(CC(=O)O)[C@H]1CN(C(=O)c2cc(Cl)ccc2F)C[C@H]1O 328604600 KHRXKBZIPUCVON-NWDGAFQWSA-N 330.743 0.681 0 50 ECAA CCn1c([C@@H]2CCCN(C(=O)/C=C/c3cnn(C)c3)C2)n[nH]c1=O 67789515 VKYPAZPJOCJRKT-KTRBRXNASA-N 330.392 0.744 0 50 ECAA CO[C@@](C)(C(=O)NCCNS(=O)(=O)N(C)C)c1ccccc1F 353140698 PTZVRHVXRILPTH-CQSZACIVSA-N 347.412 0.200 0 50 ECAA Cc1nnc2ccc(N3CCN(C(=O)[C@H]4CCC[C@H]4N)CC3)nn12 237682590 NMARLCAJCCIEEB-QWHCGFSZSA-N 329.408 0.209 0 50 ECAA COCCn1cc(CN[C@@H]2CC(=O)N(C)[C@H]2c2ccnn2C)cn1 284700012 YQDXOKBKSCMRSK-CZUORRHYSA-N 332.408 0.325 0 50 ECAA 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COc1ccc(Cl)cc1S(=O)(=O)N1C[C@H]2CNC[C@]2(CO)C1 1772707962 ZKZACOINTMRCAC-QMTHXVAHSA-N 346.836 0.551 0 50 ECAA CN1C[C@H]2COC[C@@H]1CN(C(=O)c1ccc(N3CCOCC3)nc1)C2 1875244109 MTWUHMGUSFXPLT-ZBFHGGJFSA-N 346.431 0.321 0 50 ECAA CCCn1cnnc1CNC(=O)[C@]12CNC[C@H]1CN(C1CCCC1)C2 210282523 NPPRQYKOLMBDRC-KSSFIOAISA-N 346.479 0.768 0 50 ECAA CO[C@](C)(C(=O)N[C@H](C)C(=O)NCCN(C)C)c1ccccc1F 408517313 GRUXMPALLAFPMN-PXAZEXFGSA-N 339.411 0.870 0 50 ECAA COCCN1CCN(C(=O)Cc2ccc(-n3cnnn3)cc2)C[C@@H]1C 117287426 HJYWDCOLPRHCBT-AWEZNQCLSA-N 344.419 0.384 0 50 ECAA Cn1cc(NC(=O)N2CC[C@@H](Nc3ccc4nccn4n3)C2)cn1 333186287 UHBWQLJGPAEDLW-LLVKDONJSA-N 326.364 1.181 0 50 ECAA COCCN1CCN(CC(=O)N=c2cc[nH]n2[C@H](C)C2CC2)C[C@H]1C 252475026 QUNMFISAKYIYQJ-HUUCEWRRSA-N 349.479 0.867 0 50 ECAA O=C1CN(CCn2nc3ccccn3c2=O)CCN1c1ccccc1 680897987 LJIJBJABSGHLEK-UHFFFAOYSA-N 337.383 0.845 0 50 ECAA NS(=O)(=O)CCN1CCN(c2ncnc3ccsc23)CC1 266009676 RGPYVYUGJDRBID-UHFFFAOYSA-N 327.435 0.102 0 50 ECAA CC[C@@H](Oc1ccccc1F)C(=O)N1CCN(S(N)(=O)=O)CC1 267207293 RNBWLVVUYYKNET-GFCCVEGCSA-N 345.396 0.331 0 50 ECAA C=CC(=O)N(CC)CC(=O)N1CC[C@H](C(=O)NCC(F)(F)F)C1 907534277 BPNHSRDZXPPMGS-JTQLQIEISA-N 335.326 0.548 0 50 ECAA C=CC(=O)NCCNC(=O)[C@@H]1COCCN(C(=O)OC(C)(C)C)C1 826951722 CHHASELGKBQANM-LBPRGKRZSA-N 341.408 0.288 0 50 ECAA C[C@@H](NC(=O)Cn1cnnn1)C(=O)N1CC[C@H]1c1cccc(F)c1 933773283 IWDSCDMZYJSPQK-MFKMUULPSA-N 332.339 0.291 0 50 ECAA Cc1cc(F)ccc1[C@H]1C(=O)NCCN1C(=O)C[C@@H]1[C@@H](N)C[C@H]1O 2325799050 PLYSEYJQIFOJBP-CTASWTNQSA-N 335.379 0.232 0 50 ECAA O=C(Cn1cc(C(F)(F)F)ccc1=O)N1Cc2ncnc(O)c2C1 2325813215 YTBZRXCTGWEDNH-UHFFFAOYSA-N 340.261 0.905 0 50 ECAA CC(=O)N[C@H]1CO[C@@H]2[C@@H](NC(=O)c3ccc4nc(C)oc4c3)CO[C@H]12 2325865663 LBEIWAKNVOPAMI-WMHQRMGPSA-N 345.355 0.537 0 50 ECAA COc1nc(=Nc2cccc(N3CCN(C)C3=O)c2)nc(OC)[nH]1 2356157288 IQBRSUQQLUSPPM-UHFFFAOYSA-N 330.348 0.926 0 50 ECAA Cc1cc2c(cc1NC(=O)CN1CCCC1)n(C)c(=O)c(=O)n2C 9879937 DPXWUFWNHGBDDV-UHFFFAOYSA-N 330.388 0.580 0 50 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NC(=O)[C@H]1CCCN(C(=O)CN2CCC(C3CCOCC3)CC2)C1 153589878 GMGKUNNAQGJVOJ-INIZCTEOSA-N 337.464 0.849 0 50 ECAA Cn1cc(CN2C[C@@H](F)C[C@H]2CNC(=O)CCc2cnc[nH]2)cn1 369159060 WHSHHHQXHZDGJJ-ZFWWWQNUSA-N 334.399 0.805 0 50 ECAA O=C(c1cn[nH]c1-n1cnnn1)N1CCCC[C@H]1CCn1cccn1 215008867 VKJFAJIBNNOMJZ-LBPRGKRZSA-N 341.379 0.667 0 50 ECAA COc1cccc2c1OC[C@H](CNC(=O)CSc1n[nH]c(N)n1)C2 95518301 XAVKFLSOXPOWRE-VIFPVBQESA-N 349.416 0.855 0 50 ECAA O=S1(=O)CC[C@@H](N2CCN(c3nnc(C4CCC4)o3)CC2)C1 95380191 YDJNVQOSABYERJ-GFCCVEGCSA-N 326.422 0.646 0 50 ECAA O=C(O)[C@@H]1[C@H]2C=C[C@@]3(CN(Cc4ccc5c(c4)OCO5)C(=O)[C@H]13)O2 242648323 QSJZCTAJPCPMKQ-CVGURMSBSA-N 329.308 0.782 0 50 ECAA Cc1ccc(S(=O)(=O)N2C[C@@H](O)[C@H](Oc3cnn(C)c3)C2)o1 625311231 AOHAXVJFSLZEAI-VXGBXAGGSA-N 327.362 0.134 0 50 ECAA COCCN1C(=O)N[C@@H]2CN(c3ccc4nc(C)nn4n3)CC[C@@H]21 299744252 RJFYHPMZNAJWHM-NEPJUHHUSA-N 331.380 0.052 0 50 ECAA Cc1cn2nc(N3CCC([C@H](O)C(=O)NC4CC4)CC3)sc2n1 299748955 IQGKMBLWYDQPAA-LBPRGKRZSA-N 335.433 0.955 0 50 ECAA COC(=O)c1cn(CC(=O)Nc2ccccn2)cc2c(=O)[nH]nc1-2 263587681 JYDWWAJAQXEKEU-UHFFFAOYSA-N 327.300 0.497 0 50 ECAA Cc1cnn(CCC(=O)N2C[C@H]3COCC[C@@]3(O)[C@@H]3COCC[C@@H]32)c1 299780038 LUVCKJPUZJWIHE-DFGXFYAUSA-N 349.431 0.597 0 50 ECAA NS(=O)(=O)C[C@@H]1CCN(C(=O)c2nc(O)nc3ccccc23)C1 299778007 CZKBIEPTVIVRMH-SECBINFHSA-N 336.373 0.086 0 50 ECAA COC[C@@H]1CCCN1S(=O)(=O)N1CCN(CCSC)CC1 824370985 IBVPQDXSPZZKOI-ZDUSSCGKSA-N 337.511 0.323 0 50 ECAA CN1CC(N2C[C@H](C(=O)N3CC=C(c4cccnc4)CC3)CC2=O)C1 952888605 SQOZMWXZYOFLRX-MRXNPFEDSA-N 340.427 0.860 0 50 ECAA NS(=O)(=O)c1ccc(CNC(=O)c2cc3n(n2)CCOC3)s1 1875266530 IWYVAXWFJTWBCW-UHFFFAOYSA-N 342.402 0.052 0 50 ECAA Cc1cc(C(=O)N2C[C@H]3C[C@H]2CS3(=O)=O)nc(C(F)(F)F)n1 1875329693 DIPRBOZZKDHYTH-JGVFFNPUSA-N 335.307 0.815 0 50 ECAA Cc1cc(C)nc(C(=O)N[C@@H](C)CNC(=O)c2cc(N)cc(O)n2)c1 1875333357 PNUHXQDJWSYZLY-NSHDSACASA-N 343.387 0.930 0 50 ECAA CN1CCO[C@@H](CNC(=O)COc2cccnc2)[C@@H]1c1ccnn1C 886027159 KSJAOBZYOBQUDN-RDJZCZTQSA-N 345.403 0.382 0 50 ECAA COC(=O)Cn1cc(CCCNS(=O)(=O)c2ccccc2)nn1 1775999307 JKMYHTOIBSDOHP-UHFFFAOYSA-N 338.389 0.362 0 50 ECAA Cc1cccn2cc(CNC(=O)CN3CCCC[C@@H](O)C3=O)nc12 644356493 MIASSRBKKZVLQZ-CQSZACIVSA-N 330.388 0.632 0 50 ECAA COc1cccc([C@H]2CN(C(=O)Cn3nnnc3C)C[C@@H]2C(=O)O)c1 213193972 FGOSRVFAKJJNEY-KGLIPLIRSA-N 345.359 0.317 0 50 ECAA O=C1[C@H]2CN(c3nc(CO)cs3)C[C@@]2(C(=O)O)CN1CC1CC1 216204720 JPBHSYMZLYREMO-ABAIWWIYSA-N 337.401 0.395 0 50 ECAA CC1(C)NC(=O)N(CC(=O)N[C@H]2COC[C@H]2Cc2ccncc2)C1=O 1704339007 MPHPMDQSLQPQFP-OLZOCXBDSA-N 346.387 0.086 0 50 ECAA C/C(Cl)=C/Cn1c(SCCO)nc2c1c(=O)[nH]c(=O)n2C 12342746 JMMIEYIRRXKIKV-CLTKARDFSA-N 330.797 0.650 0 50 ECAA CN(C[C@@H]1COCCO1)c1nc2nonc2nc1N1CCCCC1 12479761 JFBULJNJSSPYMI-LLVKDONJSA-N 334.380 0.855 0 50 ECAA COCCN1C(=O)N(C)C(=O)C12CCN(Cc1ccncc1)CC2 14751779 VMMSJBDDFFBBKA-UHFFFAOYSA-N 332.404 0.957 0 50 ECAA CC(=O)OC[C@H]1O[C@H](OC(C)=O)C[C@@H](OC(C)=O)[C@@H]1OC(C)=O 14961684 KLEORKVJPIJWNG-MQYQWHSLSA-N 332.305 0.091 0 50 ECAA in-vitro 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0 50 ECAA biogenic COC(=O)C1=NN(C(C)=O)[C@H]2C(=O)N(c3cccc(C)c3)C(=O)[C@H]12 100628314 DVQBEULFVAMJSG-DGCLKSJQSA-N 329.312 0.244 0 50 ECAA O=C(O)c1c(S(=O)(=O)NC[C@H]2CCCO2)sc2c1CCNC2 67695684 DICBJEJZGCKUDM-MRVPVSSYSA-N 346.430 0.549 0 50 ECAA Cc1nccn1CCCC(=O)N1CCc2c(c(C(=O)O)nn2C)C1 67964716 NMUIMPYWEJZBLU-UHFFFAOYSA-N 331.376 0.988 0 50 ECAA CN(C[C@@H]1CN(C(=O)c2cc[nH]c2)CCO1)c1nccn(C)c1=O 328652660 WOVIXLFXZULNTR-CYBMUJFWSA-N 331.376 0.086 0 50 ECAA COc1ccc(N([C@@H](C)C(=O)N(C)C)S(C)(=O)=O)cc1OC 65362264 LHAFJNDPAPOHCL-JTQLQIEISA-N 330.406 0.947 0 50 ECAA O=C(c1cc(COc2cccc(F)c2)[nH]n1)N1CCOC[C@H]1CO 67446846 LZPKXTDHIWWZSS-CYBMUJFWSA-N 335.335 0.961 0 50 ECAA COc1ccccc1-n1cc(C(=O)N[C@@H]2C[C@@H](CO)N(C)C2)cn1 65507581 YZWDSWLHJXXCHJ-KGLIPLIRSA-N 330.388 0.676 0 50 ECAA NC(=O)[C@H]1CC[C@H](CNC(=O)N2CCCN(c3ccccc3)CC2)O1 126001588 STBSFUPHLFBKRK-HZPDHXFCSA-N 346.431 0.941 0 50 ECAA Cn1ccc(N2CCC[C@@H](Nc3cccc(NC(=O)CO)c3)C2=O)n1 174072283 CWBWZHQZSHSVCZ-CQSZACIVSA-N 343.387 0.958 0 50 ECAA Cn1cc(S(=O)(=O)NCCN2CCC[C@@H](c3ccncc3)C2)cn1 333741027 VVOQPWXPHDKIIS-OAHLLOKOSA-N 349.460 0.973 0 50 ECAA Cn1cc(CCCNC(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)cn1 219374712 LAMRFRFSJQDCOR-UHFFFAOYSA-N 327.344 0.313 0 50 ECAA O=C(Cn1[nH]c2ccccc2c1=O)N1Cc2cnn(CCO)c2C1 215790484 UTQAARFHZXUQDW-UHFFFAOYSA-N 327.344 0.061 0 50 ECAA CCS(=O)(=O)N1CCC[C@@H](C(=O)N2CCOC(F)(F)C2)C1 606445771 QNRKHECKMVCZFU-SNVBAGLBSA-N 326.365 0.500 0 50 ECAA Cc1ccc(CC(=O)N(C)CC(=O)N2CCC(C(=O)O)CC2)cn1 262475428 CPQNQDWBHZTGNT-UHFFFAOYSA-N 333.388 0.714 0 50 ECAA O=C(CC(=O)N1C[C@H]2COCC[C@@]2(C(=O)O)C1)NCC(F)(F)F 262495105 ZWXCNLJEMFBEIL-QPUJVOFHSA-N 338.282 0.005 0 50 ECAA CNC(=O)[C@H]1CN(C(=O)CCc2ccoc2)C[C@@H]1c1cnn(C)c1 375517284 QPNOXQCLNQNBSZ-CABCVRRESA-N 330.388 0.934 0 50 ECAA CNCCNC(=O)C1(N2C[C@H](C)O[C@H](C)C2)Cc2ccccc2C1 72165467 OHCIQNJPOXNMHM-GASCZTMLSA-N 331.460 0.969 0 50 ECAA CN1C(=O)C[C@@H](NCc2ncnn2C(C)(C)C)[C@@H]1c1ccnn1C 285346700 WROQLBPVKKBUKV-IAQYHMDHSA-N 331.424 0.828 0 50 ECAA 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Cc1nc(CCn2ccnc2C)n(-c2ccc(S(N)(=O)=O)cc2)n1 96132478 MHUULCZQBNNPIY-UHFFFAOYSA-N 346.416 0.971 0 50 ECAA Cc1ccc(N2C[C@@H]3OC(=O)N(CCCN4CCOCC4)[C@@H]3C2)nn1 247909608 KYVJHVMZKBMNHM-CABCVRRESA-N 347.419 0.517 0 50 ECAA CN(C)C1=NC2(CCN(CC(=O)NCc3ccccc3)CC2)C(=O)N1 243957170 CHBHZCCKIZOXIJ-UHFFFAOYSA-N 343.431 0.185 0 50 ECAA Cc1cn(CC(=O)N[C@H](c2ccccc2)[C@H]2C[C@@H](O)C2)c(O)nc1=O 253535229 IJDSEXQOFPFJDP-IJEWVQPXSA-N 343.383 0.886 0 50 ECAA COc1ccc(S(N)(=O)=O)cc1C(=O)N1CC[C@](C)(C(=O)O)C1 299741117 CVTDMQVOIHUOER-AWEZNQCLSA-N 342.373 0.279 0 50 ECAA Cc1ccc(S(C)(=O)=O)cc1C(=O)N1CCO[C@@H](C(=O)O)C1 299740733 BLECVJXWUGDPHM-GFCCVEGCSA-N 327.358 0.324 0 50 ECAA CC(C)c1nnc(CN2CCN(S(=O)(=O)N3CCCC3)CC2)o1 252488562 IUTJVPBFYXRTJI-UHFFFAOYSA-N 343.453 0.651 0 50 ECAA Cc1nccn1[C@H](C)CC(=O)N1CCC(NS(C)(=O)=O)CC1 299781175 VXIGNYVNSBORGO-LLVKDONJSA-N 328.438 0.683 0 50 ECAA C[C@H](O)CNc1cc(N2CCc3nnc(N(C)C)cc3C2)ncn1 952887725 VSHZRWKMGMXSIL-NSHDSACASA-N 329.408 0.688 0 50 ECAA O=C1CC[C@H](N2Cc3c(C(=O)N4CCCC4)cccc3C2=O)C(=O)N1 1875288799 DOGQXAQRXMUJAS-AWEZNQCLSA-N 341.367 0.684 0 50 ECAA NS(=O)(=O)C1(C(=O)N[C@@H]2CCC[C@]34OCC[C@H]3C[C@H]24)CCC1 1875370448 OXJCKADVYUKXST-YFCNSXCBSA-N 328.434 0.662 0 50 ECAA CCN1CCO[C@@H](CNC(=O)c2ccnc(O)c2)[C@@H]1c1ccnn1C 886054735 YTDRGQAEQVHNMQ-HOCLYGCPSA-N 345.403 0.713 0 50 ECAA Cc1ccccc1CC(=O)N1Cc2nnc(C)n2C[C@H]1C(=O)N(C)C 891092519 ICJYVLMEXOSSBA-HNNXBMFYSA-N 341.415 0.937 0 50 ECAA C[C@H]1c2ccccc2C[C@H]1NC(=O)N1CC[C@]2(C1)NC(=O)NC2=O 1775986709 OZNUQBCAQQLVRJ-MNRXQERYSA-N 328.372 0.708 0 50 ECAA O=C(N[C@H]1CCOC[C@@H]1OCc1ccccc1)c1cc(O)nc(O)n1 1565508039 IAZLRYXALZONQT-JSGCOSHPSA-N 345.355 0.992 0 50 ECAA CC[C@@H]1OCCC[C@@H]1C(=O)N1CCN(c2ccc3nncn3n2)CC1 277143987 QDFYGZZKNGEORT-KBPBESRZSA-N 344.419 0.978 0 50 ECAA CCS(=O)(=O)NCCNC(=O)C1(C)CN(C(=O)OC(C)(C)C)C1 408521618 YBOSZUPDKNYSMS-UHFFFAOYSA-N 349.453 0.299 0 50 ECAA C[C@@H]1CCCN(C(=O)c2cccc(CS(N)(=O)=O)c2)[C@H]1CN 408519249 FFRRBXUFXNWGCR-RISCZKNCSA-N 325.434 0.675 0 50 ECAA COC[C@@]1(C(N)=O)CCCN1CC(=O)N(C)Cc1ccccc1F 643826959 ZRPASRQSIUISSU-QGZVFWFLSA-N 337.395 0.750 0 50 ECAA Cc1cc(CC(=O)N2C[C@H]3CN(C(=O)C4CC4)C[C@@]3(C(=O)O)C2)on1 210126182 HKPZAHRVHSGDHD-SJCJKPOMSA-N 347.371 0.307 0 50 ECAA Cc1cnc2c(C(=O)N3CCCN([C@H]4CCOC4)CC3)cnn2c1 1775982837 YTZCXVQWRGGYSR-AWEZNQCLSA-N 329.404 0.975 0 50 ECAA CCn1cc(CNC(=O)C[C@H]2C(=O)NCCN2CC(C)(C)C)cn1 19227822 UHTOQHOAJSSBLV-AWEZNQCLSA-N 335.452 0.756 0 50 ECAA c1ncn(CCN2CCN([C@@H]3CCOC4(CCNCC4)C3)CC2)n1 1857680317 GQBGBCAGQFKAIV-MRXNPFEDSA-N 334.468 0.197 0 50 ECAA Cn1nc(C(=O)N2CCNC(=O)[C@H]2c2cccc(F)c2)nc1Cl 1857690969 XBOZMJYQDCNLDC-SNVBAGLBSA-N 337.742 0.921 0 50 ECAA CN1C[C@@H]2CNC[C@]2(C(=O)NCc2cc(-c3ccccn3)no2)C1 210037621 SLXMPGWPUZMRCY-SJCJKPOMSA-N 327.388 0.504 0 50 ECAA O=C(CN1C(=O)COc2ccc(Cl)cc21)N1CCn2cnnc2C1 729923280 WKYUWSOQRIBVFU-UHFFFAOYSA-N 347.762 0.699 0 50 ECAA Cc1nn(CC(=O)N2CC3(CCCC3)OC[C@H]2CN(C)C)c(=O)o1 640711748 DRKZAFWMANHFDL-CYBMUJFWSA-N 338.408 0.247 0 50 ECAA O=C(NCCN1C[C@H]2CCCCN2C1=O)c1cc([C@@H]2CCCN2)[nH]n1 2325797541 FDYUNGFCXRZXMR-OLZOCXBDSA-N 346.435 0.854 0 50 ECAA CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(N)=O)cc1 73803 IUUVNWBGNFCVNK-CQSZACIVSA-N 333.344 0.742 0 50 ECAA O=C(NCCN1C(=O)CSC1=O)[C@@H]1CC(=O)N(c2ccccc2)C1 1461818 JPTHNJVRGSFFPB-LLVKDONJSA-N 347.396 0.851 0 50 ECAA CC(C)(C)c1cc(CS(=O)(=O)N[C@H]2CCS(=O)(=O)C2)no1 328848025 SUAKVWPJWQGURO-VIFPVBQESA-N 336.435 0.579 0 50 ECAA Cc1nnc2n1CCN(C1CN(C(=O)CCCn3cccc3)C1)C2 328637214 OLQNAMFTMZGZPY-UHFFFAOYSA-N 328.420 0.895 0 50 ECAA COC(=O)N1CCN(Cc2ccc(S(N)(=O)=O)cc2F)CC1 864085918 COAKYULFSOLEBX-UHFFFAOYSA-N 331.369 0.357 0 50 ECAA CCOc1cc(N2CC(N3CCn4c(CC)nnc4C3)C2)ncn1 328655426 YKGIVVAIMFPXNY-UHFFFAOYSA-N 329.408 0.734 0 50 ECAA CCOC(=O)[C@H]1CCCN(c2cc(N3CCOCC3)nc(N)n2)C1 65527507 ZBRILZQZAWGWLY-LBPRGKRZSA-N 335.408 0.675 0 50 ECAA CCN(CC)C(=O)[C@@H]1C[C@@H](N)CN1S(=O)(=O)CCC(F)(F)F 67840872 POBFEOZRVFZADD-ZJUUUORDSA-N 345.387 0.539 0 50 ECAA 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