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334.417 -0.102 0 50 EBAA CN(Cc1nccc(N)n1)[C@H]1CCN(C(=O)CN2CCOCC2)C1 369527694 NZDKANIQCOVRQB-ZDUSSCGKSA-N 334.424 -0.576 0 50 EBAA CNC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C[C@H]2C)cc1 371794860 DBLLYJCSGDNFEQ-SNVBAGLBSA-N 325.390 -0.055 0 50 EBAA CN1CCN(c2ncc(CN3CCC[C@](O)(CC(N)=O)C3)cn2)CC1 643746405 KZPTYPUUXZOCGY-KRWDZBQOSA-N 348.451 -0.569 0 50 EBAA CC1(C)CCN(C(=O)CN2CCCC[C@@H](O)C2=O)CCS1(=O)=O 644449676 YZOKWHLVOASPCV-GFCCVEGCSA-N 346.449 -0.215 0 50 EBAA Cn1c(=O)n(CC(=O)N2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)c2ccccc21 890295749 ACRKLSJYSJINKW-SMDDNHRTSA-N 349.412 -0.015 0 50 EBAA CO[C@@H](C)CC(=O)N1CCN(C(=O)C(C)(C)S(C)(=O)=O)CC1 1396726745 RMWADKAFXHVAOT-NSHDSACASA-N 334.438 -0.095 0 50 EBAA CCOC(=O)C(=O)N1CCN(C(=O)c2ccc3ncnn3c2)CC1 1615587039 UJGWRGVQMQGTNW-UHFFFAOYSA-N 331.332 -0.423 0 50 EBAA NS(=O)(=O)c1ccc(C(=O)N2CCC([C@H](O)CO)CC2)cc1 1772705893 WNUXMJKNBGFEBI-CYBMUJFWSA-N 328.390 -0.461 0 50 EBAA C[C@H]1CN(C(=O)CO)CC[C@@H]1CNc1nc[nH]c2ncc(C(N)=O)c1-2 1875339346 GELKYZWJBMZKMS-VHSXEESVSA-N 346.391 -0.103 0 50 EBAA COc1ccnc(N2CCN(C(=O)[C@@H]3CN(C)CC[C@H]3O)CC2)n1 2356168758 MJMOYEFKWFYGET-CHWSQXEVSA-N 335.408 -0.554 0 50 EBAA CN(C[C@H]1CCCN1C)C(=O)Cn1nnnc1CN1CCOCC1 12595369 LSDBFUKKTZIVHC-CYBMUJFWSA-N 337.428 -0.942 0 50 EBAA Cn1cc(C(=O)N2CC[C@@]3(CCCN(CCO)C3=O)C2)ccc1=O 92038380 UZUWTTXSHSDIAB-KRWDZBQOSA-N 333.388 -0.168 0 50 EBAA O=C(CCN1CCCS1(=O)=O)N1CCC(n2cncn2)CC1 194710372 OATVINOWPZKICB-UHFFFAOYSA-N 327.410 -0.133 0 50 EBAA Cc1cc(C)n(CC(=O)N[C@@H]2COCC[C@@H]2OCC(=O)O)c(=O)n1 223926948 OFCOUNQXUMVNFT-NEPJUHHUSA-N 339.348 -0.765 0 50 EBAA COC(=O)c1ccccc1N(C)C(=O)CN1CCC[C@@](O)(C(N)=O)C1 286070473 GPHAPTXKDSHICQ-KRWDZBQOSA-N 349.387 -0.252 0 50 EBAA Cn1nccc1CNC1CCN(S(=O)(=O)N2CCOCC2)CC1 329219400 SLZIAUAIAPUEJG-UHFFFAOYSA-N 343.453 -0.449 0 50 EBAA CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)N1CCC[C@@H](C)[C@@H]1CCO 666095010 LOVYFVZCZMBDGX-MROQNXINSA-N 334.438 -0.009 0 50 EBAA CN(CCC(=O)N1CC[C@@H]2OCc3cnnn3[C@@H]2C1)S(C)(=O)=O 1076024342 HDQZTAZOOSKFNT-NEPJUHHUSA-N 343.409 -0.768 0 50 EBAA NCC[C@H]1CCN(C(=O)C(=O)N2CC[C@@H](CN3CCCC3=O)C2)C1 1354245581 DIOCYRCHNSFJDL-KBPBESRZSA-N 336.436 -0.345 0 50 EBAA O=C(Cn1cnnn1)N1C[C@H](O)[C@]2(C1)[C@H](c1ccccc1)[C@H]2CO 1857717127 MOXBEZBSYXXOFI-OCVGTWLNSA-N 329.360 -0.732 0 50 EBAA NC(=O)c1cn2c(n1)CCN(C(=O)c1n[nH]c3c1COCC3)CC2 1875251420 IBHXAJKUIZBWAG-UHFFFAOYSA-N 330.348 -0.524 0 50 EBAA C[C@@H](N)C(=O)N1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1 155261535 WUCGQSAQQPAKTC-SNVBAGLBSA-N 337.405 -0.257 0 50 EBAA CN(Cc1cnc(N2CCCC2)nc1)[C@H]1CS(=O)(=O)C[C@@H]1O 212668828 XPTTVGQAMYLOBI-STQMWFEESA-N 326.422 -0.334 0 50 EBAA COc1cccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2NC(C)=O)c1 245256501 QBEQPOXXRDGNSS-CAEXGNQWSA-N 327.333 -0.982 0 50 EBAA CN1CCCN(CC(=O)N[C@@H](c2cnn(C)c2)[C@H]2C[C@@H](O)C2)CC1 252527695 DECDCGJJYKPFJV-UKPHBRMFSA-N 335.452 -0.014 0 50 EBAA CCc1nc(CN2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)n[nH]1 253430293 YHKYVCIELGCOEN-GFCCVEGCSA-N 343.453 -0.007 0 50 EBAA O=C(O)CCNC(=O)NC[C@@H](O)COc1ccc2c(c1)OCO2 263354494 IRLVNIKDZJFSNW-SECBINFHSA-N 326.305 -0.071 0 50 EBAA C[C@H]1OCCN(S(=O)(=O)c2ccc(N(C)C)nc2)[C@@H]1C(N)=O 286789159 RXDABXIVXLPLRY-SKDRFNHKSA-N 328.394 -0.589 0 50 EBAA C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)N1CCCOCC1 373469325 ZHBXEANVIJDBOK-OAHLLOKOSA-N 339.392 -0.149 0 50 EBAA Cn1ccnc1CN1CCN(C(=O)CN2CCCC[C@@H](O)C2=O)CC1 644351685 IIKCLYIQOOLTAI-CQSZACIVSA-N 349.435 -0.562 0 50 EBAA CC(C)n1cnnc1CN1C[C@@H](O)[C@H](CS(=O)(=O)N(C)C)C1 1529155366 RNRZFIOCKZWLEL-NWDGAFQWSA-N 331.442 -0.457 0 50 EBAA CS(=O)(=O)N1C[C@@H]2CN(Cc3cccnc3)C[C@]2(C(=O)O)C1 1565527136 VHSSBAPLQSTDDT-JSGCOSHPSA-N 325.390 -0.140 0 50 EBAA Cc1nc2ncnn2c(C)c1CCC(=O)N[C@@H]1CO[C@@H]2[C@H](O)CO[C@H]12 1857666920 WXAGTYXVHKUDPX-QHSBEEBCSA-N 347.375 -0.683 0 50 EBAA C=CC(=O)N1CCCc2cc(C(=O)N3CC(O)(C(N)=O)C3)ccc21 1875303023 RPMVYYDFDMDQGZ-UHFFFAOYSA-N 329.356 -0.176 0 50 EBAA CCCCn1c(SCC(N)=O)nc2c1c(=O)n(C)c(=O)n2C 2501689 OTXKTYNEWMVJKA-UHFFFAOYSA-N 325.394 -0.189 0 50 EBAA biogenic CN1CCN(c2cc(N3CCC(O)(C(=O)O)CC3)nc(N)n2)CC1 72144078 YIGYNTMTDFTNGK-UHFFFAOYSA-N 336.396 -0.774 0 50 EBAA C[C@@H](O)CN1CC2(CCC1=O)CCN(C(=O)c1cnc[nH]c1=O)CC2 219598744 JKUGLYTYXOEXCL-GFCCVEGCSA-N 348.403 -0.005 0 50 EBAA NC(=O)CO[C@H]1CCOC[C@H]1NC(=O)c1nc(N)nc2c1CCCC2 220732824 BIPBCMNEOFJWHR-NEPJUHHUSA-N 349.391 -0.673 0 50 EBAA NC(=O)N[C@H](CO)C(=O)N1CCN(c2cccc(F)c2F)CC1 277154656 WOAISXSFMQMKAP-SNVBAGLBSA-N 328.319 -0.357 0 50 EBAA CN(C)c1noc(CN2C[C@H](F)C[C@H]2C(=O)N2CCOCC2)n1 299743917 MRAIMCXXXNLCNN-MNOVXSKESA-N 327.360 -0.093 0 50 EBAA NC(=O)c1cccnc1N1CCN(C(=O)[C@H]2CCNC(=O)C2)CC1 332405004 WTYCVNWYOCZWFB-NSHDSACASA-N 331.376 -0.645 0 50 EBAA CN1CCN(C2CCN(C(=O)[C@@]3(O)CCSC3)CC2)C(=O)C1 371651381 PBRPMKOTVPQTMS-OAHLLOKOSA-N 327.450 -0.381 0 50 EBAA COC(=O)c1cn([C@@H]2CS(=O)(=O)C[C@H]2O)cc2c(O)nnc1-2 409415583 QWXHMWHAUQMHEO-RKDXNWHRSA-N 327.318 -0.795 0 50 EBAA O=C1NCCN(C(=O)NCc2nc(-c3cccnc3)no2)[C@@H]1CCO 426374125 FGBYZXXFJQDVNS-LLVKDONJSA-N 346.347 -0.476 0 50 EBAA Cc1cc(C(=O)Nc2ncn(CC(=O)O)n2)c2c(C)nn(C)c2n1 647782477 OCABKFRKMVRZGW-UHFFFAOYSA-N 329.320 0.514 0 50 EBAA CNC(=O)[C@H]1CC(=O)N(C2CN(C(=O)c3ccc(CO)cc3)C2)C1 685942115 LGDSJBVFOXNTCX-ZDUSSCGKSA-N 331.372 -0.402 0 50 EBAA NC(=O)c1cnc(C(=O)N[C@H]2C[C@H]3CO[C@@H](C4CC4)CN3C2)cn1 1857740828 OKTCEBLCGDLBCM-COPLHBTASA-N 331.376 -0.443 0 50 EBAA CN1C[C@]23C=C[C@H](O2)[C@H](C(=O)NCc2cccc4ncnn24)[C@@H]3C1=O 2356157684 QZFFPVNXJAIQTM-DPYKFYPSSA-N 339.355 -0.243 0 50 EBAA CCN1CCN(CC(=O)N2CCC(OCCOC)CC2)C(=O)C1=O 19791366 RRBKUJVEFXYTKX-UHFFFAOYSA-N 341.408 -0.669 0 50 EBAA CSCCCNC(=O)c1ccc(S(=O)(=O)NCC(N)=O)cc1 92107565 KIFIYWOUHWWLEZ-UHFFFAOYSA-N 345.446 -0.067 0 50 EBAA C[C@H](O)CN1CCN(CC(=O)N[C@H]2CCCCNC2=O)C[C@H]1C 253602022 ZJSBNCPKTBUDKU-RDBSUJKOSA-N 326.441 -0.842 0 50 EBAA O=C(O)CCOCCOCCNCCOCCOCCC(=O)O 575432148 JHTYGFBPZUBUIF-UHFFFAOYSA-N 337.369 -0.408 0 50 EBAA COC(=O)c1cc(F)ccc1NC(=O)C(=O)N1C[C@H](O)[C@H](O)C1 615323397 OTEHSKDVHFZZMR-PHIMTYICSA-N 326.280 -0.885 0 50 EBAA O=C(Cn1cnnn1)N1CCCN(CCn2cc(Cl)cn2)CC1 980677561 QCMLTAYWMSIAHC-UHFFFAOYSA-N 338.803 -0.243 0 50 EBAA C[C@]1(NC(=O)c2cnn3ccccc23)CCN(CC(=O)NC(N)=O)C1 1439846490 HXPSWDTYHPCJIN-INIZCTEOSA-N 344.375 -0.277 0 50 EBAA Cc1ccc(C(=O)N2C[C@@H](O)[C@H](CS(=O)(=O)N(C)C)C2)c(O)n1 1529112592 NZCSTMWEKHTXOO-CMPLNLGQSA-N 343.405 -0.580 0 50 EBAA O=C(O)CN1C[C@H]2CN(Cc3cnn4cccnc34)C[C@]2(CO)C1 1800414033 KIFMSHFLEFKCMN-CZUORRHYSA-N 331.376 -0.460 0 50 EBAA CN(C)C(=O)C[C@H]1CN2C[C@H](NC(=O)c3cccc(O)n3)C[C@H]2CO1 1857710001 CKCOBVPHDWIHDI-AGIUHOORSA-N 348.403 -0.163 0 50 EBAA CCn1nc(C)cc1S(=O)(=O)N1CC[C@]2(CC(=O)NC2=O)C1 82139244 SZKQSLNOGHSGTC-ZDUSSCGKSA-N 326.378 -0.361 0 50 EBAA COc1cncc([C@H](NC(=O)CNS(C)(=O)=O)[C@H]2C[C@@H](O)C2)c1 244811578 SHDHWCMVPAEXIY-OLUVUFQESA-N 343.405 -0.432 0 50 EBAA C[C@H](O)CN1CCN(CC(=O)NC(=O)NCc2ccco2)[C@@H](C)C1 249460541 ZJQLYPSPCPPKAA-STQMWFEESA-N 338.408 -0.008 0 50 EBAA CC(=O)N1CCN([C@@H]2CN(CCCS(C)(=O)=O)C[C@H]2C)CC1 257366456 ZKOHTLCCDBPPEA-UKRRQHHQSA-N 331.482 -0.095 0 50 EBAA CC(C)[C@@H](C(=O)N1CC(S(C)(=O)=O)C1)N1CCCS1(=O)=O 331813923 VAXNKXJHHFCUAG-NSHDSACASA-N 338.451 -0.698 0 50 EBAA CNC(=O)[C@]12CCOC[C@H]1CN(C(=O)CCn1cnccc1=O)C2 952849589 FDFBWCQKCIEFPA-WBMJQRKESA-N 334.376 -0.756 0 50 EBAA CN1C[C@@H](CNc2ncc(F)c(N3CCOCC3)n2)OCC1=O 1506419493 QQVQPIZMYSDOEM-SNVBAGLBSA-N 325.344 -0.279 0 50 EBAA COc1ccc([C@H]2CN(C(=O)CCNS(C)(=O)=O)C[C@@H]2N)cc1 91254667 JPZRVPAKECQIGA-KGLIPLIRSA-N 341.433 -0.112 0 50 EBAA Cc1nn(CCO)cc1CN1CC[C@@]2(CCCN(CCO)C2=O)C1 92066143 QUFMUCIBQVSHQD-KRWDZBQOSA-N 336.436 -0.009 0 50 EBAA Cc1cc(C(=O)N(C)[C@H]2CCNC2)nc2c1c(=O)n(C)c(=O)n2C 179053855 LUVYVQMFRNYPTC-JTQLQIEISA-N 331.376 -0.625 0 50 EBAA O=C(Cc1cc(=O)[nH][nH]c1=O)N[C@@H]1CCOC[C@H]1Oc1ccccn1 220722059 GCFZSMBQDKAEOA-VXGBXAGGSA-N 346.343 -0.647 0 50 EBAA NC(=O)NC(=O)Cn1nnc([C@H]2CN(Cc3ccccc3)CCO2)n1 375787582 FFLIBARCNRYYRE-GFCCVEGCSA-N 345.363 -0.559 0 50 EBAA CS(=O)(=O)N[C@@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)c1sccc1N 1074599216 JVVMEWDFDXMIOZ-NORCUCSASA-N 331.419 -0.235 0 50 EBAA Cc1cc(N2CCN(C(=O)[C@H]3CC[C@@H](C(=O)O)N3)CC2)nc(C)n1 1775960128 UGYQOHIGQRMPJO-OLZOCXBDSA-N 333.392 -0.053 0 50 EBAA O=C(CCc1ccc2c(c1)OCO2)N[C@@H]1C[C@H]2C(=O)NCC(=O)N2C1 65381274 PWSXSIICVHHOPZ-NEPJUHHUSA-N 345.355 -0.437 0 50 EBAA O[C@@H](CN1CCNCC1)Cn1ccnc1-c1cc2n(n1)CCNC2 72431174 MKKFJDYCFUOUKM-AWEZNQCLSA-N 331.424 -0.884 0 50 EBAA CN(C)Cc1nnc([C@@H]2CCCN(C(=O)Cn3cnnn3)C2)n1C 77564167 JYNAFDNNXVHPPG-LLVKDONJSA-N 333.400 -0.731 0 50 EBAA CSCc1noc(CNC(=O)[C@H]2CCCN(CC(N)=O)C2)n1 91445275 OTYBDVYTIODFIZ-VIFPVBQESA-N 327.410 -0.254 0 50 EBAA CS(=O)(=O)N1C[C@@H]2CN(C(=O)c3ccco3)C[C@]2(C(=O)O)C1 91707156 OIOFBRQRZLIBTF-ZANVPECISA-N 328.346 -0.302 0 50 EBAA CCCn1cnnc1CNC(=O)CN1CCN(c2ncccn2)CC1 95390529 IZXTVUHTJGAKDI-UHFFFAOYSA-N 344.423 -0.084 0 50 EBAA Cc1ccn(CC(=O)N2CCC[C@](O)(Cn3ccnn3)C2)c(=O)c1 284666557 QAPGLTOOWVHOMU-MRXNPFEDSA-N 331.376 -0.198 0 50 EBAA Cn1c(=O)ccn(CC(=O)N2[C@H](C(=O)O)C[C@@H]3CCCC[C@H]32)c1=O 299742993 LIZHATGDQSQZML-TUAOUCFPSA-N 335.360 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CN(CC(=O)N1CC[C@H](CS(N)(=O)=O)C1)Cc1cccnc1 299756865 IECHGDDIFGKZRS-ZDUSSCGKSA-N 326.422 -0.350 0 50 EBAA COCCN(CC(F)F)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)OC 601640189 USTBTFWBVBISKH-IUCAKERBSA-N 339.339 -0.024 0 50 EBAA CS(=O)(=O)NCCC(=O)N[C@@H]1CCCN(C(=O)c2ccco2)C1 828013091 OUIVEKXTDQPTRM-LLVKDONJSA-N 343.405 -0.060 0 50 EBAA Cn1cccc1S(=O)(=O)N1CCC[C@@](O)(Cc2nncn2C)C1 952852690 IRJJWNCOWOLMIQ-CQSZACIVSA-N 339.421 -0.088 0 50 EBAA CC(C)(CNS(N)(=O)=O)NC(=O)c1ccnc(-n2cccn2)c1 952883394 MSPAVTCFZDIWFM-UHFFFAOYSA-N 338.393 -0.431 0 50 EBAA Cc1cc(C[C@@H]2CN(C(=O)c3cc(=O)n(C)c(=O)n3C)C[C@H]2O)on1 1529120061 RSAULNBACCRBHO-ZWNOBZJWSA-N 348.359 -0.944 0 50 EBAA CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)c1cccnc1O 1704343518 DISGMLPTOCGLJE-GXSJLCMTSA-N 329.378 -0.577 0 50 EBAA N[C@H]1CC[C@@H](n2cc(C(=O)N3CCC([C@@H](O)CO)CC3)nn2)CC1 1772709732 MEWIEZCCQOGDAP-GUTXKFCHSA-N 337.424 -0.074 0 50 EBAA O=C1N=C(NS(=O)(=O)N2CC(C(=O)O)C2)C(=C(Cl)Cl)N1 1857800800 OSEPJEIKDKKVLZ-UHFFFAOYSA-N 343.148 -0.394 0 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326.422 -0.085 0 50 EBAA O=C(NCc1ncc[nH]1)[C@H]1CCC(=O)N(CCN2CCOCC2)C1 91973842 FQMYHMCNSSKSCI-ZDUSSCGKSA-N 335.408 -0.403 0 50 EBAA CCN(CC)C(=O)[C@@H]1C[C@H](N)CN1S(=O)(=O)c1ccnn1CC 92099215 DLAAAHYNFLGOFX-RYUDHWBXSA-N 343.453 -0.138 0 50 EBAA COCCn1cncc1CN1CCN(c2nccc(N)n2)C[C@H](O)C1 97775495 XWEBPNNSISQKKS-CQSZACIVSA-N 347.423 -0.415 0 50 EBAA Cc1cc(O)nc(CCNC(=O)[C@H]2[C@@H]3C=C[C@@]4(CN(C)C(=O)[C@@H]24)O3)n1 299764053 JVBPLGOGNLAPSM-JAMKOXHTSA-N 344.371 -0.439 0 50 EBAA CNC(=O)[C@@]1(COC)CCCN1S(=O)(=O)c1c(C)cnn1C 643704135 KWHYCLPFSLYYAN-ZDUSSCGKSA-N 330.410 -0.356 0 50 EBAA Cn1cnc(CCCNS(=O)(=O)c2csnc2C(=O)O)n1 646056955 OCMYEXBEZNXTLF-UHFFFAOYSA-N 331.379 -0.119 0 50 EBAA Cc1ccnn1CCC(=O)N[C@H]1CCOC[C@@H]1OCC(=O)N(C)C 1565508159 KSYGQCSFQGRLDL-KBPBESRZSA-N 338.408 -0.040 0 50 EBAA O=C(Cn1ccc(O)nc1=O)N[C@H]1CCOC[C@@H]1Oc1ccccn1 1565513810 DMRDARKFYKQEER-RYUDHWBXSA-N 346.343 -0.303 0 50 EBAA NC(=O)c1cn2c(n1)CCN(C(=O)[C@H]1CCn3nccc3C1)CC2 1875250797 HVYPKJRSFXDZNY-NSHDSACASA-N 328.376 -0.174 0 50 EBAA COc1cc(C(=O)N[C@@H]2CO[C@@H]3[C@H](O)CO[C@H]23)cc(OC)c1O 1940196677 ZJFNKQSJZDTFHL-HFOBELJZSA-N 325.317 -0.334 0 50 EBAA O=C(N1CCOCC1)N1CCCN(C(=O)N2CCOCC2)CC1 2709704 NRMDUTJZTCULJT-UHFFFAOYSA-N 326.397 -0.102 0 50 EBAA Cc1cn2c3c(=O)n(C)c(=O)n(C)c3nc2n1CCN1CCOCC1 20051860 PZABRMDSNQRGBV-UHFFFAOYSA-N 346.391 -0.673 0 50 EBAA Cn1cc(C(=O)N2CCN(CC(=O)N3CCCC3)CC2)ccc1=O 78391381 OOVHPKHQSJYSEZ-UHFFFAOYSA-N 332.404 -0.235 0 50 EBAA COC(=O)[C@H](C(OC)OC)N1CCN(c2nccc(OC)n2)CC1 170089283 FPJPZFYFSZEFLZ-GFCCVEGCSA-N 340.380 -0.232 0 50 EBAA Cn1c(=O)ccn(CC(=O)N2[C@H](C(=O)O)C[C@H]3CCCC[C@@H]32)c1=O 299742995 LIZHATGDQSQZML-WOPDTQHZSA-N 335.360 -0.209 0 50 EBAA CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)[C@@H]1CCS(=O)(=O)C1 408021208 GNXZTZVCRGBITD-MNOVXSKESA-N 338.451 -0.649 0 50 EBAA C[C@H](O)C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)COC3)CC1 408040257 FYJJOVDMYAJLJR-NSHDSACASA-N 340.401 -0.070 0 50 EBAA CN1CC(=O)N2C[C@@H](NC(=O)COCc3ccccc3)C[C@H]2C1=O 584888405 ZOAFXPRCQIHGGT-KBPBESRZSA-N 331.372 -0.239 0 50 EBAA CNC(=O)c1noc(CNC(=O)N2CCN(c3cnccn3)CC2)n1 584893051 QEVOYYTXTZPTFT-UHFFFAOYSA-N 346.351 -0.749 0 50 EBAA CN1CCS(=O)(=O)C[C@H]1CC(=O)N1CCc2ccnc(O)c2C1 644445751 JWEVCLJSWFZUDP-GFCCVEGCSA-N 339.417 -0.209 0 50 EBAA Cc1nn(C)cc1C(=O)N[C@H]1COC[C@H]1CS(=O)(=O)N(C)C 1704302592 ATXADXCVAVXACW-JQWIXIFHSA-N 330.410 -0.635 0 50 EBAA COc1ccccc1C(=O)N1CCN2C(=O)[C@@H]([C@H](C)O)NC(=O)[C@H]2C1 14539491 FZEKSXSTLXGTJQ-ZKYQVNSYSA-N 347.371 -0.773 0 50 EBAA CCNC(=O)[C@@H]1C[C@@H](N)CN1C(=O)c1cc(CC(C)C)nc(N)n1 67821717 YUNWIFBDQJOZJH-MFKMUULPSA-N 334.424 -0.065 0 50 EBAA COCCN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)CCCn1cnnn1)C2 91663825 BUILBNXJUMTGGG-QWHCGFSZSA-N 336.396 -0.451 0 50 EBAA Cc1ccc([C@H]2CN(C(=O)c3cc(=O)n(C)c(=O)n3C)C[C@@H]2N)o1 91807729 NBVVIZTZSVJOKE-QWRGUYRKSA-N 332.360 -0.448 0 50 EBAA O=C(CN1C(=O)CNC1=O)NCc1nc(Cc2ccccc2)no1 95363583 ZCXRUFMWPFTHCP-UHFFFAOYSA-N 329.316 -0.172 0 50 EBAA CCc1nc(CCNC(=O)CN2CCN(c3ncccn3)CC2)no1 95370730 AYMNFQCZMWRFCD-UHFFFAOYSA-N 345.407 -0.097 0 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CNC(=O)[C@@H]1CC(=O)N(C2CN(C(=O)c3ccc4nncn4c3)C2)C1 685943318 YSBQORBWLLBTRF-LLVKDONJSA-N 342.359 -0.852 0 50 EBAA CN(C)CCN(C)C1CCN(C(=O)CC[C@@H]2NC(=O)NC2=O)CC1 823664811 ZXMJMLGDKMYYEV-ZDUSSCGKSA-N 339.440 -0.541 0 50 EBAA C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)NCCN1CCOCC1 825594169 GGBJIAXVPQZLAH-ZDUSSCGKSA-N 327.429 -0.920 0 50 EBAA CN1C[C@H](CN(C)S(=O)(=O)c2cc(C(N)=O)cs2)CC1=O 828247933 JLBPTKDPAQTTMP-MRVPVSSYSA-N 331.419 -0.054 0 50 EBAA C[C@H](c1ncccn1)N1CCN(S(=O)(=O)N2CCOCC2)CC1 929205978 YFBULUPEAGRWPS-CYBMUJFWSA-N 341.437 -0.268 0 50 EBAA NCC[C@H]1CCN(C(=O)C(=O)N2CC[C@H](CN3CCCC3=O)C2)C1 1354245583 DIOCYRCHNSFJDL-UONOGXRCSA-N 336.436 -0.345 0 50 EBAA O=C(CN1CCNCC1)N1CC[C@@H](c2ccc3c(c2)OCO3)[C@H](O)C1 67491184 GSKOJYZKWCCTSQ-LSDHHAIUSA-N 347.415 -0.003 0 50 EBAA CCOc1ccccc1CN1CCNC(=O)[C@@H]1CC(=O)NCCO 72150660 DNJOYSRZGACAFA-AWEZNQCLSA-N 335.404 -0.116 0 50 EBAA COc1ccccc1N1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)CC1=O 82099433 CYSBADVHWKTINK-JTQLQIEISA-N 346.343 -0.532 0 50 EBAA COCC(=O)N1C[C@@H]2CNC[C@]2(C(=O)NCc2nc(C)cc(C)n2)C1 210097548 FJKYZPPZNOREJG-GUYCJALGSA-N 347.419 -0.596 0 50 EBAA Nc1nnnn1CC(=O)N[C@@H]1COCC[C@@H]1Oc1ccc(F)cc1 219154805 XEBNCJIOPQXWKF-NEPJUHHUSA-N 336.327 -0.253 0 50 EBAA CNS(=O)(=O)N1CCN(C(=O)[C@@H]2CCc3c[nH]nc3C2)CC1 407995537 KJUHOEOEJWRLPS-SNVBAGLBSA-N 327.410 -0.877 0 50 EBAA CCN(CCNC(=O)[C@@H]1OCC(=O)N(C)[C@@H]1c1cnn(C)c1)C1CC1 416147203 AJTUSBYJUIDOKP-HZPDHXFCSA-N 349.435 -0.081 0 50 EBAA COCCC(=O)N1CCC[C@H](CNC(=O)CN2CCOCC2)C1 824372161 XVNMURSZCNFSBH-CQSZACIVSA-N 327.425 -0.290 0 50 EBAA NC(=O)CCCn1cc(NC(=O)c2cn3c(n2)CCNCC3)cn1 1875243985 HMEOVROICXFJPV-UHFFFAOYSA-N 331.380 -0.257 0 50 EBAA Cn1c(=O)c2c(nc(NCCO)n2Cc2ccccc2)n(C)c1=O 1626068 PWHQCIXEJMEGKP-UHFFFAOYSA-N 329.360 -0.114 0 50 EBAA biogenic O=C1CCCN1CC[C@H]1CCCCN1C(=O)Cn1ccc(=O)[nH]c1=O 77375116 FVHOTOHCKUJCPS-CYBMUJFWSA-N 348.403 -0.070 0 50 EBAA COc1cc(S(=O)(=O)N2CCC(O)(C(N)=O)CC2)ccc1F 241439980 NNZZVFXYKSTHQT-UHFFFAOYSA-N 332.353 -0.165 0 50 EBAA C[C@@H]1C[C@@H](O)CN1C(=O)[C@@](C)(O)CN1C(=O)NC2(CCCC2)C1=O 408320812 PDFVVCLOMMTEBP-HFAKWTLXSA-N 339.392 -0.416 0 50 EBAA Cc1cc(C[C@@H]2CN(C(=O)C3CCN(CCO)CC3)C[C@H]2O)n[nH]1 1704358188 DVUASWBIRWDORS-GDBMZVCRSA-N 336.436 -0.216 0 50 EBAA O=S(=O)(CCn1cnnn1)N1CCC[C@@H]1CN1CCCCC1 1875289646 GWVFEJBWICEQAD-CYBMUJFWSA-N 328.442 -0.047 0 50 EBAA CNC(=O)C[C@@H]1CN(C(=O)NCc2ccc(N(C)C)cn2)C[C@H]1O 1875402077 ASZAKFSAZPUJKX-BXUZGUMPSA-N 335.408 -0.214 0 50 EBAA Cn1cc(CN2CC[C@H](NC(=O)NC3CCNCC3)C2)c(C(N)=O)n1 2325827673 MTDHWBGLNDRWHJ-ZDUSSCGKSA-N 349.439 -0.856 0 50 EBAA Cn1c2c(cc(C(=O)N3CCOC[C@@H]3CC(N)=O)c1=O)CCCC2 72424039 VCKOWUHQHYWVQK-LBPRGKRZSA-N 333.388 -0.020 0 50 EBAA Cc1cccnc1N1CCN(C(=O)Cc2c[nH]c(=O)n(C)c2=O)CC1 77535028 XVPMDZLVCHMCTR-UHFFFAOYSA-N 343.387 -0.332 0 50 EBAA NC(=O)COc1ccc(C(=O)N2CCC3(CC2)[C@@H](O)C[C@H]3O)cc1 91952159 OKTFVMUJJXLXRE-OKILXGFUSA-N 334.372 -0.101 0 50 EBAA CCn1cc(C(=O)N2C[C@H](CO)[C@H](CN3CCN(C)CC3)C2)cn1 95361377 AUVVBWHLAIGABK-HZPDHXFCSA-N 335.452 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0 50 EBAA O=C(Cn1cc(Br)ccc1=O)N1CCO[C@H]2CNC[C@H]21 299742460 JJHAOFKHSOABQS-MNOVXSKESA-N 342.193 -0.190 0 50 EBAA CC(C)c1nc2n(n1)C[C@@H](NS(=O)(=O)c1cnnn1C)CC2 330098580 ZDGITQVADLHRCA-VIFPVBQESA-N 325.398 -0.177 0 50 EBAA CCOC[C@@H](NC(=O)NCCOCCS(N)(=O)=O)C(C)C 408522941 FGZZKBGSPPLICM-LLVKDONJSA-N 325.431 -0.348 0 50 EBAA CC(C)N1CCO[C@@H](CC(=O)N2CCN(CC(=O)O)C(=O)C2)C1 426399381 JIYXOZUSOPGONY-LBPRGKRZSA-N 327.381 -0.759 0 50 EBAA CN1CCC(CN=c2cc([C@@H]3CCOC3)[nH]c(=NCCO)[nH]2)CC1 426535430 INVYZDGSDNCEBV-CQSZACIVSA-N 335.452 -0.018 0 50 EBAA CCN1CCN(c2cc([C@H]3CCOC3)nc(N3CC(O)C3)n2)CC1=O 426684432 LIOCEDWWUWBYJW-LBPRGKRZSA-N 347.419 -0.170 0 50 EBAA Cn1nncc1S(=O)(=O)NCCOc1ccc(C(=O)O)cc1 646032216 JTNXCKZKFSHAOX-UHFFFAOYSA-N 326.334 -0.129 0 50 EBAA CN(C)CCN1CCN(C(=O)c2cccc(-n3cnnn3)c2)CC1=O 650301387 PBXZXXPPJRSDEJ-UHFFFAOYSA-N 343.391 -0.492 0 50 EBAA Cc1c(S(=O)(=O)N2C[C@H](O)[C@@H](N3CCCCC3)C2)cnn1C 828896760 MWMFPFYITICOPM-STQMWFEESA-N 328.438 -0.052 0 50 EBAA 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CC(C)NC(=O)CN1CC[C@]2(O)CCN(c3cc(N)ncn3)C[C@@H]2C1 1565515196 FAMMAPBMEYAPLC-GUYCJALGSA-N 348.451 -0.154 0 50 EBAA Cc1cc(=O)oc2cc(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)ccc12 4083819 YUDPTGPSBJVHCN-DZQJYWQESA-N 338.312 -0.720 0 50 EBAA biogenic,in-vitro O=c1[nH]c2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2[nH]c1=O 13582061 RXSYHXVKUXMOPH-QMMMGPOBSA-N 325.346 -0.326 0 50 EBAA CCS(=O)(=O)N1CCN(C(=O)c2c(C(=O)O)cnn2C)CC1 20318505 KXOSSFIJCDQRKK-UHFFFAOYSA-N 330.366 -0.774 0 50 EBAA NC(=O)C1CCN(C(=O)CN2CCN(c3ncccn3)CC2)CC1 54274424 HHPCAYPMCUAZIK-UHFFFAOYSA-N 332.408 -0.678 0 50 EBAA Cn1ncc(N2CCN(c3ncnc4c3CCNC4)CC2)cc1=O 67674106 HEQVNTWVPKRBHO-UHFFFAOYSA-N 327.392 -0.457 0 50 EBAA N[C@@H](Cc1c[nH]cn1)C(=O)NCc1cccnc1N1CCOCC1 67758405 YSOBISLEMSOWBC-AWEZNQCLSA-N 330.392 -0.173 0 50 EBAA CC(=O)C(=O)N1CCN(Cc2ccncc2)[C@@H]2CS(=O)(=O)C[C@@H]21 72473603 NQJLVIFHWIONAF-KGLIPLIRSA-N 337.401 -0.520 0 50 EBAA O[C@@]1(CNCc2nncn2CCc2ccccc2)CNCCOC1 77389835 RYZFSSCSRQFZEX-QGZVFWFLSA-N 331.420 -0.039 0 50 EBAA O=C(N1CCOCC1)N1CCN(c2ncnc3[nH]cnc23)C[C@@H](O)C1 97797318 RVTACDOGTOXIST-LLVKDONJSA-N 347.379 -0.712 0 50 EBAA COC(=O)N1C[C@H]2[C@H](CN3CCN(c4cnn(C)c(=O)c4)CC3)[C@H]2C1 102496987 JPKHRJYGNREWQY-QKDCVEJESA-N 347.419 -0.154 0 50 EBAA CCC[C@H]1CNCCN1S(=O)(=O)CCCS(=O)(=O)N(C)C 252499670 SDWHUYGYJDSLTC-LBPRGKRZSA-N 341.499 -0.328 0 50 EBAA CNS(=O)(=O)c1cccc(CNC(=O)N[C@H]2CC(=O)N(C)C2)c1 267614908 KMBDFLGCHKOWMZ-NSHDSACASA-N 340.405 -0.375 0 50 EBAA Cn1nnc(CN2CCC[C@H](c3cc(N4CCNCC4)n[nH]3)C2)n1 662338787 WAYXGOXMPCZISQ-LBPRGKRZSA-N 331.428 -0.278 0 50 EBAA O=C(CCS(=O)(=O)c1ccccc1)N[C@@H]1CO[C@@H]2[C@H](O)CO[C@H]12 1857675423 XNYCWODOLNVKFA-QHSBEEBCSA-N 341.385 -0.506 0 50 EBAA CN(C)[C@H]1CS(=O)(=O)[C@H]2CN(C(=O)c3cnc4cccnn34)C[C@@H]12 1857716100 WQZXZNFIDUBVFH-DRZSPHRISA-N 349.416 -0.472 0 50 EBAA N[C@@H]1C[C@H](C(=O)NCCS(=O)(=O)c2ccc(F)cc2)C[C@H]1O 1857733753 XMYOZACQGXIVNV-ZWKOPEQDSA-N 330.381 -0.186 0 50 EBAA COCC(=O)NCCCNC(=O)C(=O)NC1CC2(CO[C@@H](C)C2)C1 1875329838 GAERLSCYYXTINR-FZWSLVFFSA-N 341.408 -0.671 0 50 EBAA Cc1cnn(C)c1S(=O)(=O)N[C@@H](Cc1cnn(C)c1C)C(=O)O 2325718687 HGDOIAGURQFZTL-NSHDSACASA-N 341.393 -0.255 0 50 EBAA CN1CCc2[nH]nc(C(=O)N3CC[C@H](O)[C@@]4(CCCNC4=O)C3)c2C1 2356133740 AWEUNHOAQBFJEZ-SUMWQHHRSA-N 347.419 -0.499 0 50 EBAA CC(=O)O[C@@H]1O[C@H](CO)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 1318785 FEQXFAYSNRWXDW-RKQHYHRCSA-N 348.304 -0.938 0 50 EBAA Cn1c(=O)c2nc(-c3ccc(S(=O)(=O)O)cc3)[nH]c2n(C)c1=O 5322904 LXJSJIXZOAMHTG-UHFFFAOYSA-N 336.329 -0.126 0 50 EBAA biogenic,in-vivo Nc1nc(N2CCOCC2)cc(N2C[C@H](O)[C@@H](N3CCCCC3)C2)n1 65407310 KVWPLGGORHESGB-KBPBESRZSA-N 348.451 -0.069 0 50 EBAA C[C@H](N)C(=O)N1CCn2nc(C(=O)NCc3ccccn3)cc2C1 67805189 BTQZEQXZSMSACG-NSHDSACASA-N 328.376 -0.103 0 50 EBAA COCCN1CC[C@H](C(=O)N2CCN(Cc3nonc3C)CC2)C1 240128293 IPLAPEYHGNWNSA-AWEZNQCLSA-N 337.424 -0.009 0 50 EBAA COC[C@@](C)(NC(=O)CNC(=O)c1ccc2c(c1)OCO2)C(=O)O 262843644 AKFHRSRVCAGMDO-OAHLLOKOSA-N 338.316 -0.249 0 50 EBAA Cc1c(S(=O)(=O)N2CCO[C@H]3CNC[C@H]32)cnn1-c1ccccn1 299741642 HCLQLVYJMCRBJV-OLZOCXBDSA-N 349.416 -0.063 0 50 EBAA CC[C@@H]1CN(C(=O)[C@H]2CCS(=O)(=O)C2)C[C@H]1N1CCOCC1 299754224 YASBVERWDPEEOF-HZSPNIEDSA-N 330.450 -0.010 0 50 EBAA CN(C)c1ncnc2c1CCN(C(=O)[C@@H]1CCC(=O)NC(=O)N1)C2 299800462 VYRPWIPEZBKLLL-JTQLQIEISA-N 332.364 -0.585 0 50 EBAA Cn1cnc(CNC(=O)C[C@H]2NC(=O)c3ccccc3NC2=O)n1 888090408 WZPCYFFEXSOYMN-LLVKDONJSA-N 328.332 -0.428 0 50 EBAA CO[C@H](C)CC(=O)N1CCN(C(=O)C(C)(C)S(C)(=O)=O)CC1 1396726741 RMWADKAFXHVAOT-LLVKDONJSA-N 334.438 -0.095 0 50 EBAA Cc1cc(C(=O)N[C@H]2COC[C@H]2CS(=O)(=O)N(C)C)nc(C)n1 1704344691 VRTNIZIFSILUOF-AAEUAGOBSA-N 342.421 -0.270 0 50 EBAA Cn1cc(CN2C[C@@H](F)C[C@H]2CNC(=O)C[C@@H]2COC[C@H]2O)cn1 2325779853 KQGZLJSEQUGTJC-CBBWQLFWSA-N 340.399 -0.154 0 50 EBAA O=C(N[C@@H]1CS(=O)(=O)C[C@H]1C(=O)N1CC=CC1)[C@@H]1CCCOC1 2332237702 IBGITAHJPJGJBP-JHJVBQTASA-N 342.417 -0.659 0 50 EBAA Cc1ccc(CN2CCN(C(=O)CO)[C@H]3CS(=O)(=O)C[C@H]32)o1 72425722 ZFJCSVKATXWKFX-OLZOCXBDSA-N 328.390 -0.610 0 50 EBAA Cc1cc(F)ccc1S(=O)(=O)NCC(=O)N[C@@H]1CCNC[C@H]1O 77387096 KHYPFVCPEJZVGJ-VXGBXAGGSA-N 345.396 -0.749 0 50 EBAA CN1CCN(C(=O)CCc2ccc(=O)[nH]n2)C[C@]12CCNC(=O)CC2 91664428 CTMRNEQKIBFTPD-KRWDZBQOSA-N 347.419 -0.485 0 50 EBAA Cn1c(C(=O)NCCCn2nccc2C2CC2)cc(=O)n(C)c1=O 95499129 UOHTUEKLRSUVJG-UHFFFAOYSA-N 331.376 -0.022 0 50 EBAA CN(C)CCO[C@H]1CCOC[C@H]1NC(=O)c1n[nH]c2c1COCC2 223613026 PTZMPHIRPSIGLY-KGLIPLIRSA-N 338.408 -0.052 0 50 EBAA CC(=O)O[C@@H]1SC[C@@]23[C@@H]4[C@H]5[C@H]6[C@H]5[C@H]2n2c(=O)n(C)c(=O)n2[C@@H]6[C@]413 248044248 PFQSZGZIWCQOPR-VFWHPWMESA-N 333.369 -0.428 0 50 EBAA CS(=O)(=O)N1CCCN(c2cc([C@H]3C[C@@H](N)C3)nc(N)n2)CC1 252539155 NUHKREWKIZIDLK-PHIMTYICSA-N 340.453 -0.265 0 50 EBAA Cc1c(S(=O)(=O)N[C@H](CCO)C(=O)O)cnn1-c1ccccn1 274890831 FXEDMNNCISLZHN-SNVBAGLBSA-N 340.361 -0.310 0 50 EBAA C[C@H]1NC(=O)CC[C@H]1NS(=O)(=O)c1ccc2c(c1)C(=O)NCC2 281700433 AFVZKHCCXIUSQJ-NOZJJQNGSA-N 337.401 -0.082 0 50 EBAA COc1cncc(S(=O)(=O)N[C@H](Cc2cnn(C)c2)C(=O)O)c1 282002953 WMWMQMHGMXGXPV-GFCCVEGCSA-N 340.361 -0.202 0 50 EBAA O=C(CCCn1cncn1)N1CC[C@@H](Nc2ncccn2)[C@H](O)C1 299786982 OMBPZIPNKYPSAS-CHWSQXEVSA-N 331.380 -0.078 0 50 EBAA O=S(=O)(N1CCOCC1)N1CCN(Cc2nccs2)CC1 329038557 ZPADADFRBLWXHY-UHFFFAOYSA-N 332.451 -0.162 0 50 EBAA CO[C@@](C)(C(=O)O)C(=O)NC[C@H]1CS(=O)(=O)c2ccccc2O1 663056833 GGSYMYZHAOSYKH-LKFCYVNXSA-N 343.357 -0.173 0 50 EBAA CN(C)[C@@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)c1ccc(OCC(N)=O)cc1 1074577745 DCTFROVLSXWDQT-UKMLZYKCSA-N 333.388 -0.002 0 50 EBAA Cc1cc(C)nc(-n2[nH]c(C(=O)N[C@H]3CCN(C)C(=O)C3)cc2=O)n1 1433920073 DZMJGKYLHFBSGG-NSHDSACASA-N 344.375 -0.077 0 50 EBAA CN1CCC(O)(C(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)CC1 1505630659 JJNLKAWZUWJBRW-UHFFFAOYSA-N 340.468 -0.498 0 50 EBAA CC(C)N1C(=O)CO[C@H](C(=O)NC(CO)CO)[C@H]1c1ccccc1 1529146224 KLCDHLPHMZHFQI-CVEARBPZSA-N 336.388 -0.167 0 50 EBAA O=C1CN(C(=O)[C@H]2OCC(=O)N[C@@H]2c2ccccc2Cl)CCN1 1704279989 DNHVQAGXSDLMMD-KGLIPLIRSA-N 337.763 -0.146 0 50 EBAA CCNC(=O)N[C@H]1CN(C(=O)[C@H]2CCCCC(=O)N2)C[C@@H]1OC 1857532941 SOWOEZHBYAFHBU-WOPDTQHZSA-N 326.397 -0.410 0 50 EBAA C[C@@H]1COC[C@@](CO)(CNC(=O)c2nc(=NC3CC3)cc[nH]2)N1C 1875397977 VVZKWXYKVHPYEC-BZNIZROVSA-N 335.408 -0.716 0 50 EBAA CNC(=O)[C@@H]1C[C@H](N)CN1S(=O)(=O)CCOc1ccc(C)cc1 67743535 VCQXIEHSFLEYRC-JSGCOSHPSA-N 341.433 -0.149 0 50 EBAA CN(C)C[C@@]1(O)CCCN(C(=O)c2sccc2S(N)(=O)=O)C1 72151119 QJVQSGYXSZHKAI-ZDUSSCGKSA-N 347.462 -0.076 0 50 EBAA CNCC(=O)N1CCN(Cc2ccncc2)[C@@H]2CS(=O)(=O)C[C@@H]21 72422714 PPVQWQJVQRTQFL-KGLIPLIRSA-N 338.433 -0.889 0 50 EBAA Cc1c[nH]c(C(=O)N2CCN(CC(=O)O)[C@@H]3CS(=O)(=O)C[C@@H]32)c1 77320361 MXQIZVZWKVMXIF-NEPJUHHUSA-N 341.389 -0.669 0 50 EBAA CN(C)C[C@H](O)c1cc2n(n1)CCCN(C(=O)CN1CCCC1=O)C2 221324869 LXCWLWWAPRXARW-HNNXBMFYSA-N 349.435 -0.167 0 50 EBAA O=C(Cn1ccnn1)N[C@H]1C[C@@H](c2cc(N3CC[C@H](O)C3)ncn2)C1 244817121 SUQOPMXJIDZQIO-XQQFMLRXSA-N 343.391 -0.299 0 50 EBAA CN(C)c1ncccc1O[C@@H]1CCN(C(=O)Cn2ncn(C)c2=O)C1 275677636 PXMRLTIAOOCSGH-GFCCVEGCSA-N 346.391 -0.277 0 50 EBAA Cn1cc(S(=O)(=O)N[C@H]2CCCN(c3ccnn3C)C2=O)cn1 331747354 IPSPOUWKDSOHII-NSHDSACASA-N 338.393 -0.373 0 50 EBAA Cn1cc(S(=O)(=O)NCC(=O)NCC2(O)CCCCC2)cn1 332554444 JMIWGNYOLHJJEC-UHFFFAOYSA-N 330.410 -0.490 0 50 EBAA Cc1nc(N)nc(N2C[C@H](O)[C@@H](N3CCN(C)CC3)C2)c1Cl 1506399055 JMXXCRBIUJFUTF-QWRGUYRKSA-N 326.832 -0.182 0 50 EBAA CS(=O)(=O)NCC(=O)N1C[C@H](c2ccccc2)[C@@H](C(=O)O)C1 1616104364 UHGBHHMPGNDEIO-NEPJUHHUSA-N 326.374 -0.138 0 50 EBAA CC(C)[C@@H]1CO[C@@]23CCN(C(=O)c4cncc(=O)[nH]4)[C@@H]2CC(=O)N13 1857714390 SHVZVVYRKPRUDT-OZVIIMIRSA-N 332.360 -0.032 0 50 EBAA NC(=O)c1ccc2[nH]c(CN3CC[C@H](CO)[C@H](O)C3)cc(=O)c2c1 1857721116 ZSSGTTNGGNMLON-BDJLRTHQSA-N 331.372 -0.198 0 50 EBAA O=C(CN1C[C@H]2COC[C@@H](C1)C(=O)N2)NCCc1ccc(F)cc1 1875240663 DJLVKZMOASWTLU-HIFRSBDPSA-N 335.379 -0.069 0 50 EBAA CN(CCN1CCCC1=O)C(=O)C(=O)N=c1[nH]oc2c1COCC2 2325818442 BYVQVJXJZOSOGL-UHFFFAOYSA-N 336.348 -0.812 0 50 EBAA 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CNC(=O)[C@@H]1C[C@H](N)CN1C(=O)CCn1nnc(-c2ccccc2)n1 67895704 OMGBADJCARHLRC-STQMWFEESA-N 343.391 -0.596 0 50 EBAA CCc1nc2n(n1)CCC[C@H]2NC(=O)N1CCO[C@@H](C(=O)NC)C1 331758244 AMKOUQNMKNZVSB-GHMZBOCLSA-N 336.396 -0.168 0 50 EBAA CC(C)c1nc2n(n1)C[C@H](NS(=O)(=O)c1cnnn1C)CC2 330098578 ZDGITQVADLHRCA-SECBINFHSA-N 325.398 -0.177 0 50 EBAA CC(=O)CCc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 33833283 IDONYWHRKBUDOR-IBEHDNSVSA-N 326.345 -0.613 0 50 EBAA biogenic,in-vitro CNC(=O)c1noc(CN2CC[C@]3(CCCN(CCO)C3=O)C2)n1 91943890 ZBFGNGLWKNARCM-OAHLLOKOSA-N 337.380 -0.764 0 50 EBAA CN1CCC2(CC1)CN(C(=O)CC[C@@H]1NC(=O)NC1=O)CCN2C 1506423314 VQVGVFANYLYJHN-LBPRGKRZSA-N 337.424 -0.787 0 50 EBAA O=C(Cn1nc2n(c1=O)CCCCC2)N1CCC[C@H]1c1nn[nH]n1 1875340290 UTKQKMQERDPTOE-JTQLQIEISA-N 332.368 -0.352 0 50 EBAA COCCN1C[C@]2(CCCN(C(=O)CNC(N)=O)C2)CCC1=O 91433817 BOEYCPGVYCZSEQ-OAHLLOKOSA-N 326.397 -0.468 0 50 EBAA NC(=O)CN1CCC[C@H](C(=O)N2CCN(c3ccncc3)CC2)C1 97402304 AXTQZNQQVMVGJG-AWEZNQCLSA-N 331.420 -0.073 0 50 EBAA NC(=O)c1ccnc(N2CCN(C(=O)C3CCOCC3)C[C@H](O)C2)c1 97819428 FMRMVMKAWOPRKO-CQSZACIVSA-N 348.403 -0.383 0 50 EBAA CN(C)Cc1nnc([C@H]2C[C@H](NC(=O)CN3CCOCC3)C2)n1C 244852973 VCYSKIKTQRMGPV-JOCQHMNTSA-N 336.440 -0.429 0 50 EBAA CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)NCc3cncn3C)C[C@@H]12 852344188 NQUGHUMAGQJHAT-TUAOUCFPSA-N 328.394 -0.627 0 50 EBAA COc1ncccc1CN1C[C@H](CS(=O)(=O)N(C)C)[C@@H](O)C1 1615733311 CHJHZINRXMHMCF-OLZOCXBDSA-N 329.422 -0.226 0 50 EBAA Cc1ccc(OC(=O)N2CCN3C(=O)[C@H](CO)NC(=O)[C@H]3C2)cc1 14732748 SKRYSZPFCOWEGW-QWHCGFSZSA-N 333.344 -0.503 0 50 EBAA O=S(=O)(O)CCCN1CCN(CCCS(=O)(=O)O)CC1 19798476 PDLPTSJWDUCMKS-UHFFFAOYSA-N 330.428 -0.840 0 50 EBAA in-vitro Nc1nnnn1CC(=O)N1CCC[C@@H](CNC(=O)c2cccs2)C1 95497584 QAYLBTGJWRRPCO-JTQLQIEISA-N 349.420 -0.015 0 50 EBAA NCCCN1C(=O)CC[C@@H]2CN(C(=O)Cn3cccnc3=O)CC[C@@H]21 216978301 BUMUUYYSIYLBTA-KGLIPLIRSA-N 347.419 -0.568 0 50 EBAA COCc1nc(NCc2c[nH]c(=O)[nH]c2=O)cc(C2CC(N)C2)n1 220670883 QFJPGSRNHXKXEU-UHFFFAOYSA-N 332.364 -0.184 0 50 EBAA CS(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccn(CC(=O)O)n2)C1 299752375 TYAFXAWUADECMO-SECBINFHSA-N 330.366 -0.422 0 50 EBAA CNC(=O)[C@H]1CC(=O)N(C2CN(C(=O)Cc3ccc(C)nc3)C2)C1 952848274 DKFWUYLHQDCWBT-ZDUSSCGKSA-N 330.388 -0.262 0 50 EBAA CC(C)[C@H]1CN(c2nccc(N)n2)C[C@@H]1NS(=O)(=O)N(C)C 1565530002 IKANFMCTFZCOLX-MNOVXSKESA-N 328.442 -0.084 0 50 EBAA Cc1c(S(=O)(=O)N2CCN(C[C@@H](O)C3CC3)CC2)cnn1C 1615055402 MNHSYJSTVWEWHS-CYBMUJFWSA-N 328.438 -0.194 0 50 EBAA CC(=O)c1cc(CN2C[C@H](CS(=O)(=O)N(C)C)[C@@H](O)C2)n(C)c1 1616126832 QSFIKSBUGDXZNO-HIFRSBDPSA-N 343.449 -0.088 0 50 EBAA CNc1nc(N2C[C@H]3COC[C@@H](C2)CN3CC(=O)O)ncc1F 1704306579 PAOKIBFPDSCSKZ-ZJUUUORDSA-N 325.344 -0.121 0 50 EBAA Cn1ccnc1CN1CCC[C@H](NC(=O)N2CC[C@@H](CN)C2)C1=O 2325865491 FHUKVKZRXNJLTA-STQMWFEESA-N 334.424 -0.099 0 50 EBAA CC(C)(C)[C@]1(O)C[C@@H]2OC(=O)C[C@]23C(=O)O[C@@H]2OC(=O)[C@H](O)[C@@]231 14984521 MOLPUWBMSBJXER-NZBDDMPLSA-N 326.301 -0.744 0 50 EBAA biogenic Cc1cc(C)c(C(=O)O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)c(C)c1 25664506 KDKGGOXWRGAXIX-QPVMMRRFSA-N 326.345 -0.431 0 50 EBAA Cc1nn(CC(=O)N[C@@H]2C[C@H]3C(=O)N(C)CC(=O)N3C2)c(C)c1C 67678539 IFMVVYLOOGXZCE-OLZOCXBDSA-N 333.392 -0.634 0 50 EBAA O=C(CCCn1cncn1)N1CCC2(CC1)[C@@H](OCCO)C[C@H]2O 92066913 UDGDQQSQPMROKL-KGLIPLIRSA-N 338.408 -0.191 0 50 EBAA O=C(NCCS(=O)(=O)N1CCCC1)[C@H]1CCCCn2nnnc21 97480089 IBKSEHGDJPYHHA-NSHDSACASA-N 342.425 -0.518 0 50 EBAA COC(=O)c1cn([C@H]2CS(=O)(=O)C[C@@H]2O)cc2c(O)nnc1-2 409415582 QWXHMWHAUQMHEO-IUCAKERBSA-N 327.318 -0.795 0 50 EBAA CC(=O)N(CC(=O)O)C[C@H]1CN(C(=O)[C@@H]2C[C@H]3CC[C@H]2O3)CCO1 681943410 WFTWKVZPNSYVTM-AAVRWANBSA-N 340.376 -0.286 0 50 EBAA COCc1cc(O)nc(N2CC[C@@H](NS(=O)(=O)C3CC3)C2)n1 952878540 AKFILFUREARMIF-SECBINFHSA-N 328.394 -0.011 0 50 EBAA CN(C)S(=O)(=O)C[C@@H]1CN(c2ccnc(C(=O)O)c2)C[C@@H]1O 1529126646 LIDZHVZSUSFQQQ-CABZTGNLSA-N 329.378 -0.532 0 50 EBAA CCN1C(=O)CO[C@H](C(=O)N[C@@H](CO)CCO)[C@H]1c1ccccc1 1615580412 GHKXJJCQFAATHP-BMFZPTHFSA-N 336.388 -0.166 0 50 EBAA CCn1nccc1C(=O)N1C[C@H](CS(=O)(=O)N(C)C)[C@@H](O)C1 1615965240 MJXJCKIUJSLXBX-PWSUYJOCSA-N 330.410 -0.773 0 50 EBAA NC(=O)C1CCN(CC(=O)N2C[C@@H](O)[C@H](Cc3cnccn3)C2)CC1 1704349570 SKWUHYRAXPPAPO-UKRRQHHQSA-N 347.419 -0.964 0 50 EBAA CN(C)S(=O)(=O)C[C@@H]1CN(Cc2cccc3ncnn23)C[C@@H]1O 2356166274 ZVIPWPGHDXQQRW-AAEUAGOBSA-N 339.421 -0.587 0 50 EBAA NC(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)NCC(=O)O 1731768 SOUXAAOTONMPRY-NSHDSACASA-N 337.332 -0.252 0 50 EBAA in-vitro O=C1CC[C@H](C(=O)N2CCC3(CCC(=O)N(CCCO)C3)CC2)N1 91452107 XTDMBMJPFOGJOP-CYBMUJFWSA-N 337.420 -0.121 0 50 EBAA Cc1cnc(C(=O)N2C[C@H](CO)[C@H](CN(C)CCN(C)C)C2)cn1 91535094 WNBRVBPGTPUXNJ-HUUCEWRRSA-N 335.452 -0.041 0 50 EBAA CN(C)[C@@H](C(=O)N1CCN(S(N)(=O)=O)CC1)c1ccccc1F 95369622 VSNOFAOFYULIJV-CYBMUJFWSA-N 344.412 -0.224 0 50 EBAA CNCCN1C(=O)CC[C@@H]2CN(C(=O)Cc3nonc3C)CC[C@@H]21 215347668 XDHBPOWCGNBOLN-OCCSQVGLSA-N 335.408 -0.021 0 50 EBAA CNS(=O)(=O)c1ccc(CCC(=O)N(C)[C@H]2COC[C@@H]2O)cc1 220529449 AEGDMRGADMJWCL-KBPBESRZSA-N 342.417 -0.255 0 50 EBAA O=C(CN1CCC[C@H](O)C1)NCCn1ncc2ccccc2c1=O 299755808 DCSMKJFFBLXALX-AWEZNQCLSA-N 330.388 -0.031 0 50 EBAA CN1C[C@]23C=C[C@H](O2)[C@H](C(=O)NCc2n[nH]c4c2CCC4)[C@@H]3C1=O 299772737 ATHVBYKNOHFWSP-ZJOBFFGXSA-N 328.372 -0.074 0 50 EBAA CN1C[C@H]2COC[C@@H]1CN(c1cc(N)nc(N3CCOCC3)n1)C2 1704337753 YYHIETMGJUUCIM-OLZOCXBDSA-N 334.424 -0.338 0 50 EBAA Cc1nn(C)c2c1[C@H](NC(=O)c1cc(=O)n(C)c(=O)n1C)CCC2 1857689384 CAPNSLVSHWNUOW-SNVBAGLBSA-N 331.376 -0.067 0 50 EBAA COc1cc2[nH]c(=N[C@@H]3CCn4nnnc4C3)[nH]c(=N)c2cc1OC 1875348161 ZBAIYAUKLVZADR-MRVPVSSYSA-N 342.363 -0.105 0 50 EBAA O=C(Nc1ccn([C@@H]2O[C@H](CO)[C@H](O)[C@@H]2O)c(=O)n1)c1ccccc1 22049845 BNXBRFDWSPXODM-GVUJHPQVSA-N 347.327 -0.893 0 50 EBAA biogenic,in-vitro COC[C@]1(O)CCN(C(=O)Cc2c(C)[nH]c(=O)[nH]c2=O)CC1(C)C 91973862 BQQCZXJDCYMGMA-MRXNPFEDSA-N 339.392 -0.450 0 50 EBAA CCOC(=O)c1ccccc1NC(=O)C(=O)NCCN1CCNCC1 170326755 OVFBLGBJWHDMED-UHFFFAOYSA-N 348.403 -0.177 0 50 EBAA O=C(CCn1cnnn1)N[C@@H]1CCOC[C@H]1OCc1ccccn1 222623782 HODUKYTXVAZSAA-ZIAGYGMSSA-N 332.364 -0.051 0 50 EBAA Cn1nccc1S(=O)(=O)N[C@@H]1CCCN(c2ncc[nH]c2=O)C1 333263509 GLSHPDBWWRZTAE-SNVBAGLBSA-N 338.393 -0.549 0 50 EBAA Nc1nc(CN=c2cc([C@H]3CCOC3)[nH]c(=NCCO)[nH]2)cs1 426360179 NIQNOLHPOJPUBC-VIFPVBQESA-N 336.421 -0.121 0 50 EBAA Cc1n[nH]c(C)c1CCNC(=O)N1CCN(S(N)(=O)=O)CC1 426573173 OEQHVXMIGTVQFD-UHFFFAOYSA-N 330.414 -0.900 0 50 EBAA Cc1cc(N2CCC(C(=O)N[C@@H]3CCC(=O)NC3=O)CC2)ncn1 1177561407 FDFONYYRNMWDFQ-GFCCVEGCSA-N 331.376 -0.077 0 50 EBAA CC(=O)N1CC[C@H](NC(=O)c2nc(=O)c3ccccc3[nH]2)[C@@H](O)C1 1565505878 HZBCJMRBLCGJMI-STQMWFEESA-N 330.344 -0.365 0 50 EBAA CNC(=O)c1ccc(N2CCO[C@H](c3nnn(CCOC)n3)C2)nn1 1875249539 ZWQAXEBUDBOWOJ-NSHDSACASA-N 348.367 -0.953 0 50 EBAA Cn1c(=O)[nH]c(=O)c2c1nc(NCCO)n2CCOc1ccccc1 2434877 SMCLVHVZVVGNSQ-UHFFFAOYSA-N 345.359 -0.094 0 50 EBAA CS(=O)(=O)N1C[C@@H]2CN(C(=O)NC3CCCC3)C[C@]2(C(=O)O)C1 91562873 AXLKOZKJTXGTFC-HZMBPMFUSA-N 345.421 -0.083 0 50 EBAA Nc1nnc([C@@H](NC(=O)CN2C(=O)CNC2=O)c2ccccc2)s1 91656812 ROECVHYMGLHIKB-NSHDSACASA-N 346.372 -0.122 0 50 EBAA COC(=O)N1C[C@H]2[C@H](CN3CCN(S(=O)(=O)N(C)C)CC3)[C@H]2C1 102580882 GKLKBZZDBPNZLP-XYYAHUGASA-N 346.453 -0.645 0 50 EBAA C[C@H](NS(=O)(=O)c1ccc(C(=O)N2CCOCC2)cc1)C(=O)O 261725941 RVMXAJCBOCHAAS-JTQLQIEISA-N 342.373 -0.090 0 50 EBAA CS(=O)(=O)N(CC(=O)O)C[C@H]1CN(C(=O)CC2CC2)CCO1 262929460 LZJRNYOZSSYVGS-LLVKDONJSA-N 334.394 -0.640 0 50 EBAA O=C(O)C[C@H]1CN(C(=O)Cn2c(O)nc3ccccc3c2=O)CCO1 299749219 JMNYLKUNZCMFMV-JTQLQIEISA-N 347.327 -0.196 0 50 EBAA COC(=O)[C@@H](CC(C)C)NC(=O)CN1CCC[C@](O)(C(N)=O)C1 323560203 VENSTUSMMZIYKL-IAQYHMDHSA-N 329.397 -0.998 0 50 EBAA CCS(=O)(=O)NC1CCN(CCS(=O)(=O)N(C)C)CC1 903010214 QMQDUYLCKOQMHK-UHFFFAOYSA-N 327.472 -0.719 0 50 EBAA COCCN1CCC[C@@](O)(CN2CCN(c3cnccn3)CC2)C1=O 67921848 IDNTWMUZJSCKSQ-QGZVFWFLSA-N 349.435 -0.402 0 50 EBAA N[C@@H](CO)C(=O)N1CCC2(CCC(=O)N(CCc3c[nH]cn3)C2)CC1 91872968 LGJDDWTUHPKMEF-AWEZNQCLSA-N 349.435 -0.497 0 50 EBAA Cc1cnn(CCNC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)c1 117809434 JXSFQMUHKCZJBM-UHFFFAOYSA-N 335.389 -0.195 0 50 EBAA Cn1ncc(N2CCN(C(=O)[C@@H](N)Cc3ccccc3)CC2)cc1=O 244882598 XUUNMFHQGJYPKW-INIZCTEOSA-N 341.415 -0.001 0 50 EBAA COCC(=O)N1CC[C@@H](NC(=O)c2ccc(OC)cc2O)[C@H](O)C1 299793684 ISAGXKUKWNGKFR-TZMCWYRMSA-N 338.360 -0.261 0 50 EBAA Cc1nn(C)c(S(=O)(=O)NC[C@H]2CN3CCN2CC3)c1C(F)F 333119682 GKNJMKBRHISJJU-JTQLQIEISA-N 349.407 -0.056 0 50 EBAA CN(C)S(=O)(=O)C[C@@H]1CN(C(=O)c2ncccc2O)C[C@H]1O 1529168637 JFOOQIQZNZCRCR-GXSJLCMTSA-N 329.378 -0.889 0 50 EBAA N[C@H]1CN(C(=O)c2sccc2S(=O)(=O)N2CCCC2)C[C@@H]1O 1565530007 NSDQJMZHHJDFAJ-UWVGGRQHSA-N 345.446 -0.323 0 50 EBAA CS(=O)(=O)NCC(=O)N[C@H]1CCOC[C@@H]1OCc1ccccn1 1565530662 LVIMEQGOSIUXLK-STQMWFEESA-N 343.405 -0.579 0 50 EBAA COCCn1nnc([C@H]2CN(C(=O)c3c[nH]c(=N)s3)CCO2)n1 1857734488 KLPSECYPJVAOKK-MRVPVSSYSA-N 339.381 -0.598 0 50 EBAA Cc1cc(S(=O)(=O)NCC(=O)N2C[C@H](O)C[C@@H](O)C2)ccc1F 2356166910 OLOKUDBVWMSYDM-GHMZBOCLSA-N 346.380 -0.633 0 50 EBAA Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H]2O[P@](=O)(O)O[C@H]21 39566020 KMYWVDDIPVNLME-GAWUUDPSSA-N 329.209 -0.817 0 50 EBAA endogenous,in-man Cc1cnc(CNc2nc(N)nc3c2CCN(C(=O)CO)CC3)cn1 72424907 YNJMZBZXXDCQIV-UHFFFAOYSA-N 343.391 -0.311 0 50 EBAA Cn1c(CN2CCOCC2)nnc1[C@@H]1CCCN(C(=O)CCO)C1 72473267 GDVMVWJRYJPMDJ-CYBMUJFWSA-N 337.424 -0.264 0 50 EBAA NS(=O)(=O)NC[C@@H]1CCCN(C(=O)C2(C(=O)O)CC=CC2)C1 663038857 FIYMVRZDADOJKS-JTQLQIEISA-N 331.394 -0.561 0 50 EBAA NS(=O)(=O)C1CN(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)C1 864094016 AHSUAGFZWYXHBW-CYBMUJFWSA-N 338.433 -0.057 0 50 EBAA CO[C@H]1C[C@@H](CNS(=O)(=O)C2COC2)N(c2cc(C)ncn2)C1 952890491 VFJNVXCJDPFTOP-RYUDHWBXSA-N 342.421 -0.303 0 50 EBAA COCC(=O)N1C[C@H]2CNC[C@@]2(C(=O)NCc2c(C)noc2C)C1 65490776 QUYWLZGOONXZFM-MLGOLLRUSA-N 336.392 -0.398 0 50 EBAA COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NCC(N)=O)cc1C 72147802 LOABVJDHDOFRSS-CYBMUJFWSA-N 348.403 -0.704 0 50 EBAA 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-0.099 0 50 EBAA Cc1nc(CN2CCN(C(=O)c3nc4ncccn4n3)CC2)no1 215893602 MJNOVVHMQZPVTQ-UHFFFAOYSA-N 328.336 -0.226 0 50 EBAA CC[C@]1(C)NC(=O)N(NC(=O)CN2CCO[C@@H](CN(C)C)C2)C1=O 229894126 FHKPDJFTXBHXTN-NHYWBVRUSA-N 341.412 -1.000 0 50 EBAA CS(=O)(=O)N[C@@H]1CCCN(C(=O)c2ccc(C(=O)O)nc2)C1 299751847 RYTMVUJBNAVCMC-SNVBAGLBSA-N 327.362 -0.066 0 50 EBAA Cn1cnnc1SCC(=O)N1CC[C@@H]2OCc3cnnn3[C@H]2C1 299778869 IFUZIGHMMBILRO-QWRGUYRKSA-N 335.393 -0.129 0 50 EBAA O=C(CO)N1CCN(CC2=Nc3ccccc3S(=O)(=O)N2)CC1 332530263 RBAHGYHBIGUYRB-UHFFFAOYSA-N 338.389 -0.855 0 50 EBAA CNC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C[C@@H]2C)cc1 371794859 DBLLYJCSGDNFEQ-JTQLQIEISA-N 325.390 -0.055 0 50 EBAA CNS(=O)(=O)N1CCN(C(=O)NCCN2CCC(C)CC2)CC1 408522952 FJFYVMADIPFCGI-UHFFFAOYSA-N 347.485 -0.490 0 50 EBAA CN(C)C(=O)CN1CC[C@H](NC(=O)Cc2ccsc2)[C@@H](O)C1 1090048214 WXIPRMCDRCXIJU-STQMWFEESA-N 325.434 -0.070 0 50 EBAA CN1C[C@@H](NC(=O)c2ccn3nnnc3c2)[C@H](c2cncn2C)C1 1775960176 WKTMCROQTYZUJC-VXGBXAGGSA-N 326.364 -0.315 0 50 EBAA COC(=O)c1n[nH]c2c1CN(C(=O)[C@H]1CCc3ncnn3C1)CC2 1857734648 YPBIEIITMAATPJ-VIFPVBQESA-N 330.348 -0.065 0 50 EBAA NCCOc1ccc(F)cc1C(=O)N[C@@H]1CO[C@@H]2[C@H](O)CO[C@H]12 2100540289 HNHWVPADSVCIBG-HBJVGIJOSA-N 326.324 -0.580 0 50 EBAA COCCn1c(=O)c2c(nc3n(CCOC)c(C)cn23)n(C)c1=O 4251062 XVTLTDBDTAEYMA-UHFFFAOYSA-N 335.364 -0.249 0 50 EBAA CC(C)c1ncc(C(=O)N2CCN3CCN(C)C(=O)[C@H]3C2)c(=O)[nH]1 65395477 VEPGXYSXXOIFHV-GFCCVEGCSA-N 333.392 -0.508 0 50 EBAA CNC(=O)CNC(=O)C[C@@H]1C(=O)NCCN1Cc1cccc(F)c1 72144295 MWSKTPUUKJWRLF-CYBMUJFWSA-N 336.367 -0.622 0 50 EBAA Cn1nnc2c(S(=O)(=O)N3CC[C@@]4(CC(=O)NC4=O)C3)cccc21 82087795 AFDJNYSMQZWXQE-CQSZACIVSA-N 349.372 -0.604 0 50 EBAA Cc1c(C(=O)n2ncc(C#N)c2N)cnc2c1c(=O)n(C)c(=O)n2C 160479912 CAXWHWFPSGOWCJ-UHFFFAOYSA-N 339.315 -0.721 0 50 EBAA CN1CCC2(CCC1=O)CCN(C(=O)Cc1c[nH]c(=O)[nH]c1=O)CC2 223829367 CJCABPSRFIBKIS-UHFFFAOYSA-N 348.403 -0.143 0 50 EBAA C[C@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)N1CCO[C@@H](CN(C)C)C1 229557789 LBIZYTYVTBSMJX-RDBSUJKOSA-N 347.481 -0.717 0 50 EBAA COC[C@H](C)NC(=O)CN1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 257366352 UDGLVUOGQYOVOF-IJEWVQPXSA-N 340.468 -0.378 0 50 EBAA O=C(NCCS(=O)(=O)c1ccc(Cl)cc1)[C@H]1C[C@@H](O)CN1 269245479 QVBMOOHDXBNTMG-ZYHUDNBSSA-N 332.809 -0.047 0 50 EBAA Cn1cc(N2CCC[C@@H](N3CCN4CCOC[C@]4(CO)C3)C2=O)cn1 1422329708 XELYVSWWFRNXFO-NVXWUHKLSA-N 349.435 -0.706 0 50 EBAA Cc1nnnn1CCC(=O)N1CCCN(CCN2CCCC2=O)CC1 1529191928 JUIKOPYJYDGWTO-UHFFFAOYSA-N 349.439 -0.472 0 50 EBAA Cc1nc(N2CCN(C)CC2)ncc1C(=O)N[C@H]1CCOC[C@@H]1O 1565530047 YMNFHJNOZVMOQM-KBPBESRZSA-N 335.408 -0.584 0 50 EBAA Cc1ccc(C(=O)O)c(N2C[C@H](CS(=O)(=O)N(C)C)[C@@H](O)C2)n1 1615937332 PKUJDGSCWFSSAN-PWSUYJOCSA-N 343.405 -0.223 0 50 EBAA CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)Cc1cccnc1 1704336227 HURCMKOVRPTCAB-STQMWFEESA-N 327.406 -0.353 0 50 EBAA Cc1cc(C)cc(NC(=O)N[C@H]2C[C@H]3C(=O)N[C@@H](CO)C(=O)N3C2)c1 14732906 NOYACUMQMZRKRS-IHRRRGAJSA-N 346.387 -0.115 0 50 EBAA CCCc1cc(C(=O)N2CCN3C(=O)CN(C)C(=O)[C@H]3C2)n(C)n1 65493179 YKNQYUGGTULMHT-CYBMUJFWSA-N 333.392 -0.502 0 50 EBAA Nc1cc(O)nc(CCNC(=O)[C@@H](c2ccccc2)n2cnnn2)n1 219612494 SBAHPZJYEBDXMR-CQSZACIVSA-N 340.347 -0.301 0 50 EBAA CN(C)C(=O)CN1C[C@@H]2CC[C@H](C1)CN2C(=O)CCn1cncn1 248046188 WMVKBYSAGVNIKI-KGLIPLIRSA-N 334.424 -0.321 0 50 EBAA CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)c1cc(C)nc(OC)c1 252480189 BXRQFSRBIPXFPB-GFCCVEGCSA-N 334.376 -0.135 0 50 EBAA Cn1nc(CC(=O)N2CCOC[C@H]2C(=O)O)c2ccccc2c1=O 262528724 SCHZLEJASPDENG-ZDUSSCGKSA-N 331.328 -0.212 0 50 EBAA CN(C)C(=O)[C@H]1CC[C@@H](C(=O)N(C2CC2)[C@H]2CCS(=O)(=O)C2)O1 329353294 YAIHNVXSRHUIJI-XQQFMLRXSA-N 344.433 -0.200 0 50 EBAA Cc1cc(CNC(=O)N2CCCN(S(C)(=O)=O)CC2)n(C)n1 408022691 NFXQVMZZKPBEFC-UHFFFAOYSA-N 329.426 -0.095 0 50 EBAA CN(CC(=O)N1CCC[C@H](CS(C)(=O)=O)C1)C1CCNCC1 584898236 CTJRXLVYXXBDTH-ZDUSSCGKSA-N 331.482 -0.047 0 50 EBAA O=C(CCN1CCCS1(=O)=O)N[C@@H]1CCC[C@@H]1N1CC[C@@H](O)C1 644071890 KQGRZTJIPKUHLJ-MCIONIFRSA-N 345.465 -0.484 0 50 EBAA CC[C@@H]1OC2(CCN(C(=O)CN3CCOCC3=O)CC2)NC1=O 1615592222 RRQBVRDYYVWHQY-NSHDSACASA-N 325.365 -0.911 0 50 EBAA NS(=O)(=O)NC1CCN(C(=O)c2cn3c(n2)CCCC3)CC1 1647461941 YQYGEZNVQPXGOU-UHFFFAOYSA-N 327.410 -0.383 0 50 EBAA CC(C)(CO)N1CCN(C(=O)c2ccnc3c(C(N)=O)cnn23)CC1 1776002300 VNIMXSVKVDTWKL-UHFFFAOYSA-N 346.391 -0.643 0 50 EBAA OC[C@H]1O[C@@H](Oc2ccc(Br)cc2)[C@@H](O)[C@H](O)[C@H]1O 1857666421 XKNTYHQVRMHDHY-CSYMLDBXSA-N 335.150 -0.372 0 50 EBAA O=C(NCc1ccc(O)cn1)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 2325802001 AJEQJUDLRIGQST-CYBMUJFWSA-N 348.403 -0.416 0 50 EBAA O=C1NCC[C@H]2CCN(c3ncnc4c3ncn4C(CO)CO)C[C@@H]12 2325849409 ORGFCGGFXAESHH-CMPLNLGQSA-N 346.391 -0.686 0 50 EBAA Cn1nnc2cc(C(=O)N3CCn4c(C(N)=O)cnc4C3)ccc21 67713510 XKNWNMMPSUEUPT-UHFFFAOYSA-N 325.332 -0.080 0 50 EBAA CCn1c([C@H]2CCCNC2)nn(CCCS(=O)(=O)N(C)C)c1=O 67771070 MOFWDOALGMAYQM-LBPRGKRZSA-N 345.469 -0.187 0 50 EBAA Cc1cn(CC(=O)N2CCC(C(=O)N3CCCC3)CC2)c(=O)[nH]c1=O 72475744 STVGALDGYXEKKI-UHFFFAOYSA-N 348.403 -0.294 0 50 EBAA NC(=O)N[C@@H](CO)C(=O)N1CC(O)(c2cccc3ccccc23)C1 848258386 ICWZWDFKPDXZAY-AWEZNQCLSA-N 329.356 -0.101 0 50 EBAA Cn1cc(O[C@@H]2COC[C@@H]2NC(=O)COCc2ccnn2C)cn1 862923456 YCHZPEXDSJSMIL-UONOGXRCSA-N 335.364 -0.367 0 50 EBAA CCOCC(=O)N[C@H]1CCCCN(Cc2nn(C)c(=O)n2C)C1=O 952850530 NDILXLQPFRBUJA-NSHDSACASA-N 339.396 -0.847 0 50 EBAA CC(=O)c1cc(CN2CCCN(C(=O)Cn3cnnn3)CC2)n(C)c1 1529155297 QJGYFDOYFOWVRL-UHFFFAOYSA-N 345.407 -0.051 0 50 EBAA O=C(Cn1ncc(N2CCNCC2)cc1=O)NCCC[C@@H]1CCOC1 19842278 ICAVHEOCEJBOLP-CQSZACIVSA-N 349.435 -0.414 0 50 EBAA CN1CCNC(=O)C12CCN(C(=O)Cn1nc3ccccc3n1)CC2 67770545 QQKVWMLVCIYAFH-UHFFFAOYSA-N 342.403 -0.146 0 50 EBAA Cc1nccn1CC(=O)N1CC[C@@H](NC(=O)c2cnccn2)[C@H](O)C1 77485064 TVUMDRMQDRAJHM-TZMCWYRMSA-N 344.375 -0.627 0 50 EBAA CC(=O)N1C[C@H](c2ccc(C)o2)[C@@H](NC(=O)CN2CC(=O)NC2=O)C1 91755297 OEYPEZGRHJHRMY-RYUDHWBXSA-N 348.359 -0.430 0 50 EBAA CC(=O)N1C[C@@H]2CN(CCCS(=O)(=O)N(C)C)C[C@]2(C(=O)O)C1 92065482 GTBDXADFLXEKEO-JSGCOSHPSA-N 347.437 -0.867 0 50 EBAA Cc1nn(CCO)cc1CN1CCN(C(=O)c2ccon2)C[C@@H](O)C1 97713458 PNSIIJMJIQMZRX-AWEZNQCLSA-N 349.391 -0.509 0 50 EBAA COC[C@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 223532109 SUCDNEDQOGZMCT-PJQZNRQZSA-N 345.355 -0.004 0 50 EBAA COCCN1CCN(S(=O)(=O)C[C@H]2CN(C)CCO2)C[C@@H]1C 631983861 HSASQCYSQQMCBH-UONOGXRCSA-N 335.470 -0.701 0 50 EBAA CNC(=O)[C@H]1CC(=O)N(C2CN(C(=O)c3coc(C4CC4)n3)C2)C1 685942843 RMRFIOSODMYNEB-JTQLQIEISA-N 332.360 -0.029 0 50 EBAA Cc1ccc(C(=O)N[C@@H]2COC[C@H]2CS(=O)(=O)N(C)C)c(O)n1 1704300110 VADJQEVGAZGFCJ-CMPLNLGQSA-N 343.405 -0.268 0 50 EBAA CN(C)CCNC(=O)c1ccc(S(=O)(=O)N[C@@H]2CCNC2)cc1 91427245 SBQYIYCDJGEHJA-CYBMUJFWSA-N 340.449 -0.382 0 50 EBAA NC(=O)CN1CCC[C@@H](C(=O)NCCNC(=O)c2cccnc2)C1 91756565 OPNHBDFYAZJEPA-CYBMUJFWSA-N 333.392 -0.875 0 50 EBAA CCN(Cc1nc(COC)no1)C(=O)CN1C(=O)NC(C)(C)C1=O 220039186 YCXRCOJGBLIMOF-UHFFFAOYSA-N 339.352 -0.105 0 50 EBAA C[C@@H]1CN(S(=O)(=O)N2CCN([C@H](C)C(=O)O)CC2)C[C@@H](C)O1 299744934 VPDPDYXYAQNRNA-IJLUTSLNSA-N 335.426 -0.569 0 50 EBAA CCN(CCOCCO)C(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccnn1C 368638507 NXJCWFNQDRVPRR-DOMZBBRYSA-N 338.408 -0.203 0 50 EBAA CC[C@@H]1CN(S(=O)(=O)C[C@H]2CNCCO2)CCN1CCOC 631921033 LCNDUEXPHXXMJU-ZIAGYGMSSA-N 335.470 -0.653 0 50 EBAA Cn1nc(CN2CCCC[C@@H](Nc3ncccn3)C2=O)n(C)c1=O 952851026 RSTSXJPYZDIDKI-LLVKDONJSA-N 331.380 -0.098 0 50 EBAA CN(CC[C@H]1CCCCO1)S(=O)(=O)c1cn(C)c(=O)n(C)c1=O 952969335 JBFPWMBYRHJYNA-LLVKDONJSA-N 345.421 -0.336 0 50 EBAA O=C(Cn1ccc(O)nc1=O)N[C@H]1COC[C@H]1Cc1ccncc1 1704341475 SVDNLSPZWKKLBN-OLZOCXBDSA-N 330.344 -0.282 0 50 EBAA CN(C)S(=O)(=O)N1CCc2nc(C3CCOCC3)nn2CC1 2356147884 VNICVUNCXBQVDG-UHFFFAOYSA-N 329.426 -0.163 0 50 EBAA O=C(Nc1ccc(F)cc1)[C@H]1CNCCN1C(=O)CCn1cnnn1 72120683 STPKIAKSDISCEX-CYBMUJFWSA-N 347.354 -0.359 0 50 EBAA CN1CCN(C(=O)c2n[nH]c3c2CCCC3)[C@H]2CS(=O)(=O)C[C@H]21 72429253 BZJVOYSPRXYBDO-OLZOCXBDSA-N 338.433 -0.158 0 50 EBAA CN(C)C(=O)N1CCN(C(=O)c2cc[nH]n2)[C@H]2CS(=O)(=O)C[C@H]21 77457838 JMRJLWPOCKUQHL-WDEREUQCSA-N 341.393 -0.985 0 50 EBAA CN1CCN(C(=O)CCS(=O)(=O)c2ccccc2)C[C@@H](O)C1 97425540 PRRFIPHCKUEPPB-ZDUSSCGKSA-N 326.418 -0.015 0 50 EBAA CNc1nc(C(=O)N2CCN(Cc3cn[nH]n3)C[C@@H](O)C2)cs1 97756364 PJIWQAYJWGJLDR-SNVBAGLBSA-N 337.409 -0.378 0 50 EBAA COCC(=O)N1CCN(Cc2ccc(-c3nn[nH]n3)cc2)C[C@@H](O)C1 219625678 KNQOBPHSKKGCTM-CQSZACIVSA-N 346.391 -0.482 0 50 EBAA COc1nc(C)cc(C)c1CNC(=O)Cc1c[nH]c(=O)n(C)c1=O 221158736 JJNRILLSTQPWGF-UHFFFAOYSA-N 332.360 -0.047 0 50 EBAA COC(=O)c1cn(C[C@@H](O)CN2CCOCC2)cc2c(=O)[nH]nc1-2 263587027 BFBCPYCKQNGODT-JTQLQIEISA-N 336.348 -0.844 0 50 EBAA C[C@H](C(=O)N(C)C)S(=O)(=O)N1CCN(C)[C@@H](c2nccn2C)C1 278893668 PYQITCKREOBQAJ-VXGBXAGGSA-N 343.453 -0.485 0 50 EBAA O=C(COCC(F)(F)F)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 330670383 ZEQLKQNLNXPOIW-JTQLQIEISA-N 344.355 -0.103 0 50 EBAA Cc1ccccc1OC[C@@H](O)C(=O)NCCN(C)S(C)(=O)=O 1506399579 OQHYDVLNOQFNEH-GFCCVEGCSA-N 330.406 -0.258 0 50 EBAA O=S1(=O)CC(CS(=O)(=O)N[C@H]2COc3ccccc3C2)C1 1616038856 WFZXRSGBCOUWKM-GFCCVEGCSA-N 331.415 -0.046 0 50 EBAA CCCO[C@@H]1CC[C@H](C(=O)NCc2nc(C(=O)NC)no2)C[C@H]1N 1875248053 WBPKTVXQFHEZGX-HBNTYKKESA-N 339.396 -0.032 0 50 EBAA Cn1nnnc1[C@@H]1CN(C(=O)c2cnc3cnn(C)c3c2)CCO1 2100473183 DMPKHZUEHBEXJZ-LBPRGKRZSA-N 328.336 -0.295 0 50 EBAA CS(=O)(=O)Nc1ccc(C(=O)N2Cc3c[nH]c(=N)nc3C2)cn1 2325872452 YLIUTLXWRHQBIK-UHFFFAOYSA-N 334.361 -0.188 0 50 EBAA Nc1ncnc2c1ncn2[C@@H]1C[C@H](O)[C@@H](COP(=O)(O)O)O1 13538982 KHWCHTKSEGGWEX-XVMARJQXSA-N 331.225 -0.834 0 50 EBAA biogenic,in-vitro O=C(NC[C@@H](O)c1ccncc1)c1cn(CCN2CCNCC2)nn1 77470341 BEFICUAVZNMHJZ-OAHLLOKOSA-N 345.407 -0.958 0 50 EBAA CC(=O)N1CCC[C@@H](C(=O)N2CCN(c3cnn(C)c(=O)c3)CC2)C1 95385943 FYGSMEWPWAXOFO-CQSZACIVSA-N 347.419 -0.313 0 50 EBAA CS(=O)(=O)Nc1cccc(NC(=O)N2CCO[C@@H](C(N)=O)C2)c1 95500301 ZRRFCSFEPQPYMM-LLVKDONJSA-N 342.377 -0.224 0 50 EBAA CS(=O)(=O)N1C[C@H]2CN(Cc3nccs3)C[C@@]2(C(=O)O)C1 96138571 DJHAPOLUVXZNTO-BXKDBHETSA-N 331.419 -0.079 0 50 EBAA CCN1CCN(C(=O)[C@H](C)N2CCO[C@@H](c3nncn3C)C2)CC1 328640861 QGVJFEXWSDCPCY-UONOGXRCSA-N 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0 50 EBAA biogenic Cn1c(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2n(C)c1=O 428835 SYHOKENSBZCPDV-UHFFFAOYSA-N 339.373 -0.742 0 50 EBAA COC(=O)[C@H](CC(C)C)NC(=O)Cn1nnnc1CN1CCCC1 11842745 QJCBYAHGDOCJAO-LBPRGKRZSA-N 338.412 -0.027 0 50 EBAA O=C1CN(C(=O)C[C@H]2C(=O)NCCN2Cc2cccc(F)c2)CCN1 72143070 DQUKRYTVBZRLLX-AWEZNQCLSA-N 348.378 -0.525 0 50 EBAA COc1ccc(C(=O)NC[C@]2(O)CCNC2)cc1N1CCOCC1 72152169 KKSIWEDFDBHVDC-KRWDZBQOSA-N 335.404 -0.014 0 50 EBAA CCN1CCN(S(=O)(=O)N2CCc3c(nc(C)[nH]c3=O)C2)CC1 72161912 VFQNBYQIINQSOP-UHFFFAOYSA-N 341.437 -0.681 0 50 EBAA NC(=O)CN1CCC[C@@H](C(=O)NCc2nnnn2-c2ccccc2)C1 92061524 UDHRYCRGBOTOKE-GFCCVEGCSA-N 343.391 -0.524 0 50 EBAA CNC(=O)[C@@H]1C[C@@H](N)CN1CC(=O)NCc1cc(C(=O)O)ccc1C 92065642 IGPVZYSKCPVRSC-KGLIPLIRSA-N 348.403 -0.543 0 50 EBAA O=C(O)CO[C@@H]1COCC[C@H]1NC(=O)CN1CCCCCC1=O 223863590 MMLUJXMTTPDFLY-VXGBXAGGSA-N 328.365 -0.236 0 50 EBAA CCN1CCO[C@@H](CN2CCN(C(=O)C3(C(=O)NC)CC3)CC2)C1 377563253 XFHRLYXDTQMHCL-CQSZACIVSA-N 338.452 -0.623 0 50 EBAA 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Cc1nnnn1CCC(=O)N1CC[C@@H]2[C@@H](CCC(=O)N2CCCN)C1 72440670 AWFGYQCCNNHLST-UONOGXRCSA-N 349.439 -0.440 0 50 EBAA O=C(c1ccn2nnnc2c1)N1CCN(Cc2ncc[nH]2)C[C@H](O)C1 97468316 JAGYYWWOYGKIJL-LBPRGKRZSA-N 342.363 -0.834 0 50 EBAA CNC(=O)c1ccc(S(=O)(=O)N2CCO[C@H](C(=O)O)C2)cc1 315216858 TXLFXNGDWRQWMO-NSHDSACASA-N 328.346 -0.480 0 50 EBAA Cc1cc(C(=O)O)n(CC(=O)NCC[C@@H]2CCS(=O)(=O)C2)n1 1875359434 CXSGDYCYAFCCMP-SNVBAGLBSA-N 329.378 -0.169 0 50 EBAA CN(C)c1nc(Oc2ccc(OCC(N)=O)nn2)nc(N(C)C)n1 32946 ROJLHRNMWYTUBG-UHFFFAOYSA-N 334.340 -0.550 0 50 EBAA CN(C)c1nc(Oc2ccc(=O)n(C)n2)nc(N2CCOCC2)n1 540108 VNZFVDHFOHOQFA-UHFFFAOYSA-N 333.352 -0.340 0 50 EBAA COCCN(Cc1cnn(C)c1)C(=O)[C@@H]1CCCN(CC(N)=O)C1 55042591 SKQXJLREHKWLIE-CQSZACIVSA-N 337.424 -0.408 0 50 EBAA CN(CCO)Cc1nnc(C2CCN(C(=O)C(C)(C)N)CC2)n1C 77299186 WUMHBQBIJSDZIX-UHFFFAOYSA-N 338.456 -0.318 0 50 EBAA CN(C)S(=O)(=O)CCCN1CC[C@]2(CCCN(CCO)C2=O)C1 91574329 JCDVQEYHWAKVDO-OAHLLOKOSA-N 347.481 -0.425 0 50 EBAA COc1ccccc1N1CC[C@@H](NC(=O)Cn2ncn(C)c2=O)C1 182377283 GOCMKERSJYHCQO-GFCCVEGCSA-N 331.376 -0.015 0 50 EBAA CN(CCNC(=O)c1cn([C@H]2CC[C@@H](N)CC2)nn1)S(C)(=O)=O 244840194 UIIGAZCSQSLUMB-PHIMTYICSA-N 344.441 -0.658 0 50 EBAA CN1C[C@H](C(=O)N2CCn3c(nnc3-c3cnn(C)c3)C2)CC1=O 370963734 XAKFPNPFKQLMOY-SNVBAGLBSA-N 329.364 -0.501 0 50 EBAA CC(=O)N1CC[C@@H](NC(=O)c2nc(=O)c3ccccc3[nH]2)[C@H](O)C1 426359589 HZBCJMRBLCGJMI-CHWSQXEVSA-N 330.344 -0.365 0 50 EBAA CC1(C)C(=O)NC(=O)N1CC(=O)NCCCN1CCCC[C@@H]1CO 584896051 NIGQYDKRTPRHDU-GFCCVEGCSA-N 340.424 -0.330 0 50 EBAA COc1ccncc1CNC(=O)C[C@H]1CS(=O)(=O)CCN1C 644470711 CTXIWDKTBDJYHA-LBPRGKRZSA-N 327.406 -0.175 0 50 EBAA O=C([C@@H]1OCC[C@@H]1Cn1ccnc1)N1CCN([C@@H]2CCNC2)CC1 662781852 YLWQTFORQILAME-BZUAXINKSA-N 333.436 -0.206 0 50 EBAA COC1(C(=O)N2CCc3ccccc3[C@H]2CO)CS(=O)(=O)C1 935109014 YVEMKROFJABPFY-CYBMUJFWSA-N 325.386 -0.082 0 50 EBAA COC(=O)/C=C/C(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 1875379049 LAFVFRXFWKABKC-NSCUHMNNSA-N 343.361 -0.622 0 50 EBAA O=C(CNS(=O)(=O)/C=C/c1ccccc1)N1CCO[C@@H](CO)C1 1875387597 PGDOFIYAFPWPSP-VIIAAUOXSA-N 340.401 -0.204 0 50 EBAA CCN(CCO)C[C@@H]1CN(C(=O)c2snnc2C)C[C@@H]1CO 91625235 NOIFUAGUEXZWLH-VXGBXAGGSA-N 328.438 -0.159 0 50 EBAA CN(CCNC(=O)Nc1cccc(-n2cnnn2)c1)S(C)(=O)=O 95520184 IWQBQWJIDDJDDV-UHFFFAOYSA-N 339.381 -0.325 0 50 EBAA O=C(O)[C@@H]1CN(CC2CC2)CCN(S(=O)(=O)N2CCOCC2)C1 219634611 YHMNGFKKEZCESQ-CYBMUJFWSA-N 347.437 -0.708 0 50 EBAA C[C@@](O)(CNC(=O)[C@H]1CCCN(C(=O)N2CCCC2)C1)C(=O)O 262458608 XDGQXCPJLPRMOP-XHDPSFHLSA-N 327.381 -0.134 0 50 EBAA CN(CC(=N)O)C[C@@H]1CN(C(=O)CN2CCCCC2=O)CCO1 328653961 XCVSNJLKRYQMBB-GFCCVEGCSA-N 326.397 -0.307 0 50 EBAA Cn1ccnc1N1CCC(NC(=O)[C@H]2CN3CCCN2CC3)CC1 407992183 QYZJKEPJYWOTAJ-OAHLLOKOSA-N 332.452 -0.105 0 50 EBAA Cc1nn(CC(=O)N2CCN(C[C@@H]3CCCCN3C)CC2)c(=O)o1 639698972 XYUOTCZBTGRNSC-AWEZNQCLSA-N 337.424 -0.227 0 50 EBAA CO[C@@H](CC(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)O)C(F)(F)F 653289990 FXDYJOYZAJYNKN-RQJHMYQMSA-N 333.284 -0.336 0 50 EBAA Cc1ccc(C(=O)NCC(=O)N2CCN3C(=O)N(C)C(=O)[C@@H]3C2)cc1 1875261505 IYFRPYJZBOZYNU-ZDUSSCGKSA-N 344.371 -0.170 0 50 EBAA O=C(N[C@H]1C[C@H]2C(=O)N[C@H](CO)C(=O)N2C1)c1cc(F)cc(F)c1 14537580 GVGCYPMWCVIDCA-TUAOUCFPSA-N 339.298 -0.845 0 50 EBAA CCCc1cc(C(=O)N2CCN3C(=O)CN(C)C(=O)[C@@H]3C2)n(C)n1 65493178 YKNQYUGGTULMHT-ZDUSSCGKSA-N 333.392 -0.502 0 50 EBAA O=C(CCc1n[nH]c2c1CCCC2)N1CCN(CCO)C[C@@H](O)C1 97402404 XALDRNVPKYMOHR-CYBMUJFWSA-N 336.436 -0.282 0 50 EBAA COCC(=O)N1C[C@@H]2CNC[C@]2(C(=O)NCc2c(C)noc2C)C1 210306104 QUYWLZGOONXZFM-LRDDRELGSA-N 336.392 -0.398 0 50 EBAA C[C@H]1CN(C(=O)[C@H](NC(N)=O)C(C)(C)C)CCN1S(C)(=O)=O 241588554 PEADZGNIUUEPSC-UWVGGRQHSA-N 334.442 -0.438 0 50 EBAA CCCCN1CCn2nc(CNC(=O)C[C@@H]3NC(=O)NC3=O)cc2C1 299789907 BDYFBNTYHHAWES-ZDUSSCGKSA-N 348.407 -0.287 0 50 EBAA CN(Cc1ccc[nH]1)C(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C 354352477 PYBABHHXTLCBKW-UHFFFAOYSA-N 344.375 -0.190 0 50 EBAA O=C(NCC1(O)CCOCC1)[C@@H]1COCCN1CC(F)(F)F 376685583 GFBFIJDNIKMVNX-JTQLQIEISA-N 326.315 -0.093 0 50 EBAA COCc1ccccc1S(=O)(=O)N[C@@H]1CNC[C@@H]1n1ccnn1 886074655 LNTRZZDASKNFHC-OLZOCXBDSA-N 337.405 -0.084 0 50 EBAA CN(C[C@H]1CCCN(CCO)C1)C(=O)[C@H]1CCCN(CC(N)=O)C1 952969573 DLMPOOFCEJWJSJ-CABCVRRESA-N 340.468 -0.654 0 50 EBAA COc1cc(CC(=O)N[C@H]2[C@@H]3CN(CC(=O)N4CCC4)C[C@@H]32)ccn1 961780192 RDAYQNMWUXVDJR-UOIKSKOESA-N 344.415 -0.089 0 50 EBAA O=C1CN(C(=O)c2ccccc2N2C[C@H](C(=O)O)CC2=O)CCN1 65532966 PVZIRDPKVZWDGI-SNVBAGLBSA-N 331.328 -0.304 0 50 EBAA CNC(=O)[C@@H]1C[C@H](N)CN1C(=O)Cn1nnc(-c2ccc(F)cc2)n1 67770224 XHKCHTLGXYBGJH-RYUDHWBXSA-N 347.354 -0.847 0 50 EBAA CNC(=O)CNC(=O)C[C@@H]1C(=O)NCCN1Cc1ccc(C)cc1 72174501 GGRLNJAGHNRFOV-CQSZACIVSA-N 332.404 -0.452 0 50 EBAA Cc1cc(C)c(C(=O)O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2O)c(C)c1 257345831 KDKGGOXWRGAXIX-XGJKELJWSA-N 326.345 -0.431 0 50 EBAA O=C1C[C@H](C(=O)N2CCC(CO)CC2)CN1CCN1CCOCC1 370788968 VEYNUFGGWXFJTQ-HNNXBMFYSA-N 339.436 -0.602 0 50 EBAA Cn1cc(O[C@@H]2CN(CC(=O)NCc3cccnc3)C[C@H]2O)cn1 625624133 FEEORXHKWPPCQV-HUUCEWRRSA-N 331.376 -0.445 0 50 EBAA Cc1c[nH]ccc1=NCCNC(=O)CN(C)[C@@H]1CCS(=O)(=O)C1 827825778 QJTJJGOIRWIZNE-CYBMUJFWSA-N 340.449 -0.541 0 50 EBAA NC[C@@H](CNC(=O)C1(N)CCCCC1)NC(=O)C1(N)CCCCC1 888096526 HFZZBPNEBLRSGI-ZDUSSCGKSA-N 339.484 -0.131 0 50 EBAA C[C@@]1(O)CCOC2(CCN(Cc3c[nH]nc3C(=O)O)CC2)[C@H]1O 1704314515 ULHNLGFVUHEGHP-UONOGXRCSA-N 325.365 -0.025 0 50 EBAA CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)CCc1ccnn1C 1704337031 QUAXMVCZGRKGFN-WCQYABFASA-N 344.437 -0.625 0 50 EBAA CN1C[C@@H](NC(=O)c2ccnc3c2nnn3C)[C@H](c2cncn2C)C1 1775959927 HSGAAJGDTCDXHG-VXGBXAGGSA-N 340.391 -0.076 0 50 EBAA CC[C@@]12COC(=O)N1CCN(C(=O)c1cc(=O)n(C)c(=O)n1C)C2 1857683169 XAMSQKHNPMUTJI-OAHLLOKOSA-N 336.348 -0.859 0 50 EBAA O=C(NC1CCN(c2cnccn2)CC1)c1n[nH]c(-n2cnnc2)n1 2356149484 CWJLCARUWHANEN-UHFFFAOYSA-N 340.351 -0.426 0 50 EBAA CC(=O)N1CCN(C(=O)Cc2cccnc2)[C@H]2CS(=O)(=O)C[C@H]21 72428899 NWQUQOHRWWCGOO-KGLIPLIRSA-N 337.401 -0.520 0 50 EBAA COCCN(C)c1nccc(N2CCN[C@H]3CS(=O)(=O)C[C@H]32)n1 77379333 VPSXFEFUTOIUOD-NWDGAFQWSA-N 341.437 -0.866 0 50 EBAA O=C1C[C@]2(CCN(C(=O)c3coc(CN4CCOCC4)c3)C2)C(=O)N1 82128693 RLJSPOQYYBOVKV-KRWDZBQOSA-N 347.371 -0.009 0 50 EBAA CN(C)[C@H](C(=O)NCc1c[nH]c(=O)[nH]c1=O)c1ccc2c(c1)OCO2 221336253 SLNHOOLDQYLBTN-ZDUSSCGKSA-N 346.343 -0.289 0 50 EBAA Cn1cc(N2C[C@H](C(=O)NCC[C@@]3(O)CCCOC3)CC2=O)cn1 628008829 AHJUMEUNXYRCMR-WBMJQRKESA-N 336.392 -0.179 0 50 EBAA CN1CCCN(CC(=O)N2CC[C@H](O)[C@@]3(CCCNC3=O)C2)CC1 1857686382 SYDCDZNQHPUDMI-WMLDXEAASA-N 338.452 -0.887 0 50 EBAA O=C(Nc1ccn([C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)c(=O)n1)c1ccccc1 22049850 BNXBRFDWSPXODM-CQROYNQRSA-N 347.327 -0.893 0 50 EBAA biogenic,in-vitro CCC[C@H]1CN(C2CCOCC2)C[C@@H]1NC(=O)CNS(C)(=O)=O 91943509 IRNMKJIZCXDAGD-JSGCOSHPSA-N 347.481 -0.069 0 50 EBAA CC[C@]1(O)CCN(c2cc(N3CCN(C)CC3)nc(N)n2)C[C@@H]1O 212661096 SYZBSETZSOXEBH-LRDDRELGSA-N 336.440 -0.477 0 50 EBAA O=C(CN1CCC[C@H]1Cn1cccn1)N[C@H]1CCS(=O)(=O)C1 247768652 MSTITXBNAXFQIB-STQMWFEESA-N 326.422 -0.349 0 50 EBAA Cc1noc(C)c1CN1CC[C@@H](NC(=O)Cn2ncnn2)[C@H](O)C1 299769783 UWTRFEZDTFYUEK-CHWSQXEVSA-N 335.368 -0.970 0 50 EBAA COCC(=O)N1CC[C@@H](Nc2nc(N(C)C)nc(C)c2C)[C@H](O)C1 426530776 IHPXKWXJPILVRY-CHWSQXEVSA-N 337.424 0.180 0 50 EBAA CO[C@](C)(C(=O)O)C(=O)Nc1ccc2c(c1)N(S(N)(=O)=O)CC2 663073277 PYWMGXDTLAXXHC-ZDUSSCGKSA-N 343.361 -0.319 0 50 EBAA COc1ncccc1C(=O)N[C@H]1COC[C@H]1CS(=O)(=O)N(C)C 1704297527 ARCGADUWSREMPX-JQWIXIFHSA-N 343.405 -0.274 0 50 EBAA O=C(CCS(=O)(=O)c1ccccc1)N1C[C@@H]2CNC[C@@]2(CO)C1 1772705591 KBIFWVBUOCYINO-BBRMVZONSA-N 338.429 -0.109 0 50 EBAA CCC[C@H]1COCCN1C(=O)c1cn(CCN2CCNCC2)nn1 77379791 UYHKQDRDKVSTMB-AWEZNQCLSA-N 336.440 -0.176 0 50 EBAA O=S(=O)(N1CCCC1)N1C[C@H](CO)C[C@H](CN2CCOCC2)C1 91643822 QEMKHTFIIVHMEG-HUUCEWRRSA-N 347.481 -0.410 0 50 EBAA Cn1cnc(CCCNS(=O)(=O)c2scnc2C(=O)O)n1 646057038 SHAQFPRUUBOYHV-UHFFFAOYSA-N 331.379 -0.119 0 50 EBAA O=C(Cn1cnc2sccc2c1=O)N1CCO[C@H](c2nn[nH]n2)C1 732090337 HIIJSUTZWMKZFC-VIFPVBQESA-N 347.360 -0.429 0 50 EBAA 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O=C1N(CCc2ccccc2)CCC[C@@]1(O)CNCc1n[nH]c(=O)[nH]1 67675817 REXNJCPJNPBTRJ-QGZVFWFLSA-N 345.403 -0.216 0 50 EBAA CCC(CO)(CO)NC(=O)C[C@H]1C(=O)NCCN1Cc1ccccc1 72125544 SADQUKWACOYNCH-HNNXBMFYSA-N 349.431 -0.373 0 50 EBAA NC(=O)Cc1nc(Cn2cnnn2)n(-c2ccc3c(c2)OCO3)n1 95507395 AJZSSXNFABBPQS-UHFFFAOYSA-N 328.292 -0.941 0 50 EBAA Cc1cccc(N2C[C@@H](NC(=O)CN3C(=O)CNC3=O)CC2=O)c1 218973539 GHLLRIGVKYQYMW-NSHDSACASA-N 330.344 -0.232 0 50 EBAA CS(=O)(=O)NCC(=O)N1CC[C@](C(=O)O)(c2ccccc2)C1 426510086 JPNLEXMBFQXZPR-CQSZACIVSA-N 326.374 -0.210 0 50 EBAA CC(=O)NC[C@H]1CN(c2nc3ccccc3c(=O)n2CCO)CCO1 892587716 BQAHJYLBCBXSRL-ZDUSSCGKSA-N 346.387 -0.270 0 50 EBAA O=C(O)CN1C[C@@H]2COC[C@H](C1)N(Cc1cnn3cccnc13)C2 1704314140 PNDGHWPYRRCHEB-JSGCOSHPSA-N 331.376 -0.054 0 50 EBAA CS(=O)(=O)NCCOC(=O)CN1CCC[C@@H](C(F)(F)F)C1=O 1775992768 UWAWALXBKGKZHK-MRVPVSSYSA-N 346.327 -0.120 0 50 EBAA CC(=O)O[C@@H]1[C@@H](C)O[C@@H](n2cc(F)c(N)nc2=O)[C@@H]1OC(C)=O 19616026 NWJBWNIUGNXJGO-RPULLILYSA-N 329.284 -0.255 0 50 EBAA in-vitro CC1=C(C(=O)NCCS(=O)(=O)N2CCCC2)[C@@H](C)NC(=O)N1 67817490 ROCYXHXSBHUCBJ-SECBINFHSA-N 330.410 -0.497 0 50 EBAA NC(=O)CN1CCC(N2CCC[C@H](C(=O)N3CCOCC3)C2)CC1 71711978 XPNZWPHRDNPMQZ-AWEZNQCLSA-N 338.452 -0.493 0 50 EBAA O=C(O)CN1CC2(CCC1=O)CCN(C(=O)[C@H]1CNC(=O)C1)CC2 91364616 UVLVLBLYSPFKSI-LLVKDONJSA-N 337.376 -0.562 0 50 EBAA COC(=O)[C@H](C)S(=O)(=O)NC(=O)c1cnc2ccccn2c1=O 170619548 FUOCFUFUEMAPPB-QMMMGPOBSA-N 339.329 -0.684 0 50 EBAA COc1ccc(CC(=O)O)cc1S(=O)(=O)N[C@@H]1CCOC[C@H]1O 222316432 ZWYXQRQQZVSNRY-GHMZBOCLSA-N 345.373 -0.250 0 50 EBAA CN1CC(=O)N(CC(=O)N2CCN([C@H]3CCSC3)CC2)C1=O 365872680 SRRJZDWTROAJBH-NSHDSACASA-N 326.422 -0.470 0 50 EBAA CC(=O)N1CC(C(=O)N[C@H]2CCOC[C@H]2Nc2ccnc(C)n2)C1 952887568 SBFMKNBGAPNFBM-UONOGXRCSA-N 333.392 -0.051 0 50 EBAA CCn1ncnc1CN1C[C@@H]2CN(c3noc(C)n3)C[C@]2(CO)C1 1772813374 YVJXVWLNSGBARZ-DOMZBBRYSA-N 333.396 -0.080 0 50 EBAA CC(C)C[C@@H](NC(=O)Cn1cnnn1)c1nnc2n1CCNCC2 67724892 QQKCHIPGVQDCFE-LLVKDONJSA-N 333.400 -0.686 0 50 EBAA CN1CCN2CCN(C(=O)c3nc4ccccc4[nH]c3=O)C[C@@H]2C1=O 67847466 KDLGTTGQVKAWQM-CYBMUJFWSA-N 341.371 -0.479 0 50 EBAA Cc1ccc(N[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@H]2O)cc1Br 245238040 DERFFWPLVQTHEZ-NZEXEKPDSA-N 348.193 -0.031 0 50 EBAA C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)[C@H](CO)NC(N)=O)C1 332202813 CSRBCHGULNXAJB-HIFRSBDPSA-N 334.420 -0.004 0 50 EBAA CN(C)S(=O)(=O)[C@H]1CCCN(CCCN2C(=O)CNC2=O)C1 367143870 MYWALFLIBDFWRJ-NSHDSACASA-N 332.426 -0.716 0 50 EBAA CN(CCO)Cc1cn([C@@H]2CCCN(c3ccn(C)n3)C2=O)nn1 641074898 XKKXHBBSKMWGLT-CYBMUJFWSA-N 333.396 -0.196 0 50 EBAA CNC(=O)CN1CCC(NC(=O)[C@@H](c2cncn2C)N(C)C)CC1 1645755897 LERMSBVUYIQTPK-OAHLLOKOSA-N 336.440 -0.651 0 50 EBAA CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)Cc1cccnc1 1704337947 HURCMKOVRPTCAB-QWHCGFSZSA-N 327.406 -0.353 0 50 EBAA CN(C)S(=O)(=O)CCCN1CC[C@@H](O)[C@@]2(CCCNC2=O)C1 1857685458 JYQQGHZXHRAFHH-TZMCWYRMSA-N 333.454 -0.769 0 50 EBAA CN(C)C(=O)[C@@H](c1ccccc1)n1cc(CN2CCNC(=O)C2)nn1 1875282774 RWZTZPLUCBPFTJ-MRXNPFEDSA-N 342.403 -0.113 0 50 EBAA N[C@H]1CN(C(=O)C(=O)N2CCC[C@@H]2C(=O)NC2CC2)CC12CCC2 1875286629 YARLOPJGGKXZJC-OLZOCXBDSA-N 334.420 -0.404 0 50 EBAA CN1CCN2CCN(C(=O)c3nc4ccccc4c(=O)[nH]3)C[C@H]2C1=O 65394793 YPYUXRLECBKXGD-ZDUSSCGKSA-N 341.371 -0.479 0 50 EBAA Cn1c(=O)[nH]cc(CC(=O)NC[C@H]2COc3ccccc3C2)c1=O 91677794 WRJKAEQYLFPNBF-NSHDSACASA-N 329.356 -0.016 0 50 EBAA O=C(N[C@@H]1CCOC[C@H]1OCCO)c1ccc2c(c1)ncn2CCO 222225049 WXHBEPYEEIXHEZ-CZUORRHYSA-N 349.387 -0.075 0 50 EBAA CC(C)[C@](C)(CNC(=O)[C@@H]1C[C@@H]1[N+](=O)[O-])NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 252505051 IVAAURFTGGUKKL-QEGBUVANSA-N 342.352 -0.036 0 50 EBAA Cc1cc(N2CCC[C@@H](NS(=O)(=O)c3cnc[nH]3)C2=O)n(C)n1 328613929 URALZESVYDAQIV-SNVBAGLBSA-N 338.393 -0.074 0 50 EBAA CNS(=O)(=O)c1ccc(C(=O)N2CC(F)(F)C[C@@H]2CO)cn1 372510005 ZVNQKJVRPZYTJH-SECBINFHSA-N 335.332 -0.168 0 50 EBAA Cc1nc(C)c(C(=O)N[C@H]2COC[C@H]2CS(=O)(=O)N(C)C)o1 1704300575 XWFYMVWXQPYKBS-QWRGUYRKSA-N 331.394 -0.072 0 50 EBAA CO[C@@H](C)C(=O)N[C@H]1CO[C@@H]2[C@@H](NC(=O)[C@H](OC)C(C)C)CO[C@H]12 2325866030 YNRXOJKSOMLKBZ-QEHJDLSMSA-N 344.408 -0.541 0 50 EBAA S=C(NCCN1CCOCC1)C(=S)NCCN1CCOCC1 19899040 FJJTVKMLDAFBFD-UHFFFAOYSA-N 346.522 -0.515 0 50 EBAA CCn1c(CC2CCN(C(=O)c3c[nH]c(=O)cn3)CC2)nn(C)c1=O 67675838 QGCADAICOSWMBO-UHFFFAOYSA-N 346.391 -0.220 0 50 EBAA O=C(CN1C(=O)CNC1=O)N1CC[C@@]2(CCCN(CC3CC3)C2=O)C1 91364823 OKMLLRQKLTVSCJ-KRWDZBQOSA-N 348.403 -0.211 0 50 EBAA Cc1cc(N2CCN(CC(=O)N3CCC[C@H](C(N)=O)C3)CC2)n[nH]1 187242208 MECASXPRWSTRCX-ZDUSSCGKSA-N 334.424 -0.436 0 50 EBAA CNCCN1C(=O)CC[C@@H]2CN(C(=O)C3=NN(C)C(=O)CC3)CC[C@@H]21 216992261 DBPYTIPUVITVMP-OCCSQVGLSA-N 349.435 -0.347 0 50 EBAA CN(CC(=O)N1CCN(S(N)(=O)=O)CC1)Cc1ccccc1F 219918061 XZRXEUDLTPVKRY-UHFFFAOYSA-N 344.412 -0.395 0 50 EBAA CN(CC(=O)N[C@H]1C[C@H](c2cc(N3CC[C@@H](O)C3)ncn2)C1)C(N)=O 244724556 MWGMUGAYOBTEOB-IJLUTSLNSA-N 348.407 -0.580 0 50 EBAA CN(CC(=O)NCCSc1cnn[nH]1)[C@@H]1CCS(=O)(=O)C1 252487820 IBXGXXOWBKNHOQ-SECBINFHSA-N 333.439 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Cc1nsc(NC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)n1 266344380 CXQVGCIYYLYDGA-UHFFFAOYSA-N 349.376 -0.378 0 50 EBAA CCn1ncnc1CN1C[C@H]2CN(c3noc(C)n3)C[C@@]2(CO)C1 1772813376 YVJXVWLNSGBARZ-SWLSCSKDSA-N 333.396 -0.080 0 50 EBAA CC(=O)c1c(C)nn(CCC(=O)N[C@@H]2CO[C@@H]3[C@H](O)CO[C@H]23)c1C 1857676192 PLQZGQBGASUVHT-CZPYZCIJSA-N 337.376 -0.264 0 50 EBAA COCCn1nnc([C@H]2CN(C(=O)CCc3cnccn3)CCO2)n1 1857737663 XYWNGIWHRCTFRS-CYBMUJFWSA-N 347.379 -0.358 0 50 EBAA COC(=O)[C@@H]1CNC(=O)CN1Cc1ccc(N2CCOCC2)nc1 2325799329 NSPSPKQEFXBSIZ-ZDUSSCGKSA-N 334.376 -0.608 0 50 EBAA Cn1c(=O)c2c(nc(SCC(=O)NC(C)(C)C)n2C)n(C)c1=O 36796 NSQWEOVDXPEGQC-UHFFFAOYSA-N 339.421 -0.023 0 50 EBAA biogenic Cc1cc(=O)n(CC(=O)N2C[C@H](CO)C[C@H](CN(C)C)C2)nc1C 91621358 RWFUYIDNABMQBR-HUUCEWRRSA-N 336.436 -0.121 0 50 EBAA C[C@@H]1CN(C(=O)CNS(C)(=O)=O)CC[C@@]1(O)C1CCOCC1 91793690 MINFSYQJYIRBRC-RISCZKNCSA-N 334.438 -0.438 0 50 EBAA O=C(NCCN1CCNC1=O)[C@@H](c1cccnc1)N1CCOCC1 95367900 DSIBPSRLCFSVAA-CQSZACIVSA-N 333.392 -0.404 0 50 EBAA Cc1nc2c(c(=O)n1C)CN(C(=O)[C@H]1CC(=O)N(CCN(C)C)C1)C2 95502380 JYZVNUDKDMDSMJ-LBPRGKRZSA-N 347.419 -0.659 0 50 EBAA CNC(=O)c1noc(CN2CCN(C)[C@]3(CCNC(=O)CC3)C2)n1 107693554 YXFRRSZYGHXQEY-OAHLLOKOSA-N 336.396 -0.785 0 50 EBAA O=C(C(=O)N1CCN(C(=O)[C@@H]2CCCN2C2CC2)CC1)N1CCCC1 170615871 FNHGOLBEHMNLIM-HNNXBMFYSA-N 348.447 -0.094 0 50 EBAA CS(=O)(=O)N1CCC[C@@H](CNC(=O)c2nc[nH]c2C(=O)O)C1 214964575 UXMDFIRBGLKLSF-QMMMGPOBSA-N 330.366 -0.491 0 50 EBAA CC(=O)N[C@@H]1[C@H](Oc2cccc3cccnc23)O[C@H](CO)[C@H](O)[C@@H]1O 247899167 AJLQASGWUOGLOB-UVLCOCDESA-N 348.355 -0.443 0 50 EBAA NC(=O)[C@@H]1C[C@@H](F)CN1C(=O)CNS(=O)(=O)c1cccs1 285364111 NRKBXDDUFDGXMC-SFYZADRCSA-N 335.382 -0.549 0 50 EBAA O=C(NCCN1CCN(c2ncccn2)CC1)c1cnc(O)nc1O 299763225 XXQBYELHVXAGLA-UHFFFAOYSA-N 345.363 -0.770 0 50 EBAA CNC(=O)c1ccc(S(=O)(=O)N2CCN3C(=O)OC[C@@H]3C2)cc1 363869759 YYISIRPRYHCULE-NSHDSACASA-N 339.373 -0.129 0 50 EBAA N=c1nc(N2C[C@H](C[C@@H]3COCC(=O)N3)c3ccccc32)[nH]c(=N)[nH]1 624222211 SFXOFRRBIYZKBC-VHSXEESVSA-N 341.375 -0.163 0 50 EBAA Cn1nc2c(c1S(=O)(=O)N1CCC[C@@](O)(CO)C1)CCCC2 632437844 KITNERBQFYVTSR-AWEZNQCLSA-N 329.422 -0.193 0 50 EBAA CO[C@@H]1CS(=O)(=O)C[C@@H]1NS(=O)(=O)N1CCC[C@H](C)C1 657100172 OPVWSCLYLVBGMK-GARJFASQSA-N 326.440 -0.635 0 50 EBAA Cc1nc(CC(=O)N2CCN(C[C@H]3CN(C)CCO3)C[C@@H]2C)n[nH]1 668350509 MWULGHGJGQWJEV-GXTWGEPZSA-N 336.440 -0.481 0 50 EBAA O=C(CN1CCCCCC1=O)N[C@@H]1CCN(c2ncc[nH]c2=O)C1 888214376 WANOUABZWJLGLD-GFCCVEGCSA-N 333.392 -0.133 0 50 EBAA CCN(C(=O)CN1CCNC(=O)CC1(C)C)[C@@H]1CCS(=O)(=O)C1 931206563 RBQZEDAZJPDLFD-GFCCVEGCSA-N 345.465 -0.378 0 50 EBAA Cc1cc(C)n(CC(=O)N[C@H]2CCN(CC(=O)N(C)C)C[C@@H]2O)n1 1090412449 HAZOXXIIEVBIBO-KBPBESRZSA-N 337.424 -0.860 0 50 EBAA CN(C)[C@@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 1565527869 YVXJFKXRTJMEAZ-VZLIPTOUSA-N 344.371 -0.336 0 50 EBAA COc1cc2[nH]c(=N[C@@H]3CCc4nnnn4C3)[nH]c(=N)c2cc1OC 1875346880 CZBNNNFAOFXCQD-MRVPVSSYSA-N 342.363 -0.105 0 50 EBAA Cc1c(C(=O)N[C@H]2CO[C@@H]3[C@H](O)CO[C@H]23)cnn1-c1ccccn1 1940197120 SSGPGBYAWIRSGC-CTHBEMJXSA-N 330.344 -0.167 0 50 EBAA O=C(CN1CCCC[C@H](O)C1=O)N1CCC(Nc2cccnn2)CC1 644351797 LTRRCZVBERPBRZ-AWEZNQCLSA-N 347.419 0.253 0 50 EBAA Cn1nc(C[C@H]2CCCC[C@H]2NC(=O)CN2CCCC2=O)n(C)c1=O 888099035 PTQUALPMCXSBPI-CHWSQXEVSA-N 349.435 -0.041 0 50 EBAA CN(C)c1ccc2nnc(CNS(=O)(=O)N3CCCC3)n2n1 952995529 OZMDDGYJQQDNEP-UHFFFAOYSA-N 325.398 -0.380 0 50 EBAA O=C(c1n[nH]c(-n2cnnc2)n1)N1CCN(c2ncccn2)CC1 1940193698 JWRMETNYEJIGBU-UHFFFAOYSA-N 326.324 -0.862 0 50 EBAA O=C1[C@@H]2CCCCN2S(=O)(=O)N1C[C@H]1CCCS(=O)(=O)C1 2325772841 VRJNHDDDVHVLEY-MNOVXSKESA-N 336.435 -0.247 0 50 EBAA Cc1ccc(F)c(CN2CCN3C(=O)[C@H](CO)N(C)C(=O)[C@H]3C2)c1 14531597 OJXYCSXTFOGBHT-CABCVRRESA-N 335.379 -0.020 0 50 EBAA CC(=O)OC[C@H]1O[C@H](OC(C)=O)[C@@H](O)[C@H](OC(C)=O)[C@H]1OC(C)=O 22066749 SHBHJRVMGYVXKK-QMVSFRDZSA-N 348.304 -0.938 0 50 EBAA biogenic COC(=O)[C@]12CN(C(C)=O)C[C@H]1CN(C(=O)C(=O)c1cccn1C)C2 63834553 MXISIDKWGMFEBR-SJCJKPOMSA-N 347.371 -0.312 0 50 EBAA CCN1CCN(S(=O)(=O)N2CCCC2)[C@H]2CS(=O)(=O)C[C@H]21 77339902 JOPVDFZCUOMGHG-NEPJUHHUSA-N 337.467 -0.870 0 50 EBAA CNS(=O)(=O)c1ccc(CCC(=O)N[C@@H]2CCOC[C@H]2O)cc1 222878218 NDSDSNYRZXUTIW-ZIAGYGMSSA-N 342.417 -0.207 0 50 EBAA CN(Cc1ccccc1)c1ccn([C@@H]2O[C@H](CO)[C@H](O)[C@@H]2O)c(=O)n1 253471080 LHXGKSCZZGJQHZ-SYAUCNOPSA-N 347.371 -0.509 0 50 EBAA Cn1c(C(=O)N[C@@H]2CCCN(c3ncccn3)C2)cc(=O)n(C)c1=O 299774560 IHJBGFNONCVNQS-LLVKDONJSA-N 344.375 -0.727 0 50 EBAA O=C([C@H]1CC(=O)N(c2nccs2)C1)N1CCS(=O)(=O)CC1 370016976 IXRNXTOSKMNQCA-VIFPVBQESA-N 329.403 -0.247 0 50 EBAA OC1CN(c2nc(NCCn3ccnn3)cc([C@H]3CCOC3)n2)C1 426420533 GKCUOLMWMCFWNV-NSHDSACASA-N 331.380 -0.135 0 50 EBAA COCc1cc(N2CC(N3C[C@H](C(=O)N(C)C)CC3=O)C2)ncn1 685940721 GNLGUBIWZDJZGF-LLVKDONJSA-N 333.392 -0.252 0 50 EBAA CO[C@@H]1CCN([C@H]2CCC[C@H]2N(C)C(=O)CN(C)S(C)(=O)=O)C1 886094193 SKYWSNIUMFBBCC-MCIONIFRSA-N 347.481 -0.022 0 50 EBAA CCOCCN1CCCN(C(=O)C[C@H]2C(=O)NCCN2CC)CC1 1772711356 HWUJGBKADCLHLM-HNNXBMFYSA-N 340.468 -0.232 0 50 EBAA COc1nc(N2CCCN(C(=O)[C@@H]3CCC(=O)N3)CC2)ncc1F 1772814225 OOAWXSRTOWHPHF-NSHDSACASA-N 337.355 -0.058 0 50 EBAA Cc1cc(C)n(CCNC(=O)c2cn3c(n2)CCNCC3)c(=O)n1 1857724149 NTDZORMZZSZBRN-UHFFFAOYSA-N 330.392 -0.368 0 50 EBAA CN1CCn2nc(C(=O)NC[C@H](O)c3cccc(O)n3)cc2C1=O 2356159765 PUERQWMKMRBJNV-LBPRGKRZSA-N 331.332 -0.467 0 50 EBAA CS(=O)(=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 13323643 RYIKKWUHXNXARI-UHFFFAOYSA-N 328.419 -0.167 0 50 EBAA CCNC(=O)[C@@H]1C[C@@H](N)CN1C(=O)c1cnnn1-c1ccccc1 67886388 VGBXMJDUKHZPGL-YPMHNXCESA-N 328.376 -0.055 0 50 EBAA O=C(O)CCc1cc2n(n1)CCN(C(=O)CCc1ccc(=O)[nH]n1)C2 72475322 RJWVPFQLIYTPIO-UHFFFAOYSA-N 345.359 -0.041 0 50 EBAA Cn1c(Cn2cncn2)nnc1C1CCN(S(C)(=O)=O)CC1 91350918 QDFGEEZAOJKTMV-UHFFFAOYSA-N 325.398 -0.406 0 50 EBAA Nc1nnnn1CC(=O)N[C@@H]1CCOC[C@H]1OCc1ccccc1 219446169 PVPAMEVXLYDINV-CHWSQXEVSA-N 332.364 -0.254 0 50 EBAA O=C(O)C1(NS(=O)(=O)c2cnc3nc(O)nc(O)c3c2)CCC1 282828061 MEFXBRGYWBYXAA-UHFFFAOYSA-N 340.317 -0.278 0 50 EBAA CCc1nccn1CCC(=O)N[C@H]1COC[C@@H]1N1CCN(C)CC1 952986814 KTMABNHXFNVVIG-GJZGRUSLSA-N 335.452 -0.033 0 50 EBAA CN(C)S(=O)(=O)C[C@H]1CN(C(=O)c2cccc(O)c2)C[C@@H]1O 1615734349 WNKNIOFWNUCWSA-YPMHNXCESA-N 328.390 -0.284 0 50 EBAA Cc1ccc2nc[nH]c(=NCCS(=O)(=O)N3CCOCC3)c2n1 1857672345 AFINDDWBMKABIG-UHFFFAOYSA-N 337.405 -0.171 0 50 EBAA CCC[C@]1(CO)CCN(C(=O)c2cc(-n3cnnn3)n[nH]2)C[C@H]1O 1875248761 MRZIMLWWZLLETL-BXUZGUMPSA-N 335.368 -0.629 0 50 EBAA O=C([C@@H]1NC[C@@H](O)[C@H]1O)N1CC[C@H](OCCCc2ccccc2)C1 2325800921 MQYHLHVNOBLMEM-YLFCFFPRSA-N 334.416 -0.070 0 50 EBAA CC(=O)N[C@H]1CN(C(=O)CNS(C)(=O)=O)C[C@@H]1c1ccccc1 91893824 BKUFBGLKPWFOST-KGLIPLIRSA-N 339.417 -0.334 0 50 EBAA Cc1cc(C)nc(N2CCN(C(=O)CN3C(=O)CCNC3=O)CC2)n1 95529609 HYOWDJQZEVWHSG-UHFFFAOYSA-N 346.391 -0.316 0 50 EBAA CN1CC[C@@H](NS(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)C1=O 172616613 DACAMMGZSNOEQX-SNVBAGLBSA-N 338.389 -0.614 0 50 EBAA COCCN1C[C@H](C(=O)N2CCN(c3cc(C)[nH]n3)CC2)CC1=O 189705155 RMXNCLLDKODGDB-CYBMUJFWSA-N 335.408 -0.138 0 50 EBAA CN1CCN(c2cc(N3CCO[C@]4(CCOC4)C3)ncn2)CC1=O 274752119 HRQFVMVLPCEISU-MRXNPFEDSA-N 333.392 -0.249 0 50 EBAA CNS(=O)(=O)N1CCN(c2ncnc3c2ncn3C2CC2)CC1 292618427 DFOQGJQRBYUSSF-UHFFFAOYSA-N 337.409 -0.253 0 50 EBAA O=C(CCc1cscn1)N1CCN(C(=O)Cn2cnnn2)CC1 328664830 BVFSQBLIOHNQIE-UHFFFAOYSA-N 335.393 -0.567 0 50 EBAA CN(CCCNC(=O)CN1CC(F)(F)C[C@H]1CO)S(C)(=O)=O 372508207 UXOBOYCWYKIPGU-JTQLQIEISA-N 343.396 -0.914 0 50 EBAA CCN1CCO[C@H](CN2CCN(C(=O)C3(C(=O)NC)CC3)CC2)C1 377563248 XFHRLYXDTQMHCL-AWEZNQCLSA-N 338.452 -0.623 0 50 EBAA CN(C)C[C@@H](O)CN1CCN(C(=O)CN2CCCCC2=O)CC1 670472583 HXDCULDXMCWERB-CQSZACIVSA-N 326.441 -0.934 0 50 EBAA COCCCN1CC[C@@H](CNS(=O)(=O)N2CCN(C)CC2)C1 824390229 XKVSCMBCKXNDQS-AWEZNQCLSA-N 334.486 -0.573 0 50 EBAA CNc1nc(C(N)=O)c(NC(=O)[C@H](C)N2CCN(C)CC2)s1 1506397812 ZBEBMHSMRUDPSX-QMMMGPOBSA-N 326.426 -0.142 0 50 EBAA O=C(Cn1cnnn1)N1CCN2[C@@H](c3ccccc3)COC[C@H]2C1 1857723139 VJBYVXVQRLGVNY-HUUCEWRRSA-N 328.376 -0.043 0 50 EBAA NCC(=O)NCc1cn([C@H](C(=O)NC2CC2)c2ccc(F)cc2)nn1 1875267075 OLRZBXMKXWWXIP-HNNXBMFYSA-N 346.366 -0.140 0 50 EBAA COC(=O)CN1CCN(C(=O)c2cnc3ccccn3c2=O)CC1=O 20352278 HKMUKWXHIJJJKL-UHFFFAOYSA-N 344.327 -0.848 0 50 EBAA CS(=O)(=O)N1C[C@H]2CNC[C@@]2(C(=O)N2C[C@H]3CC=CC[C@H]3C2)C1 65489233 FKDUFLPKARFFKM-HLPPOEQASA-N 339.461 -0.108 0 50 EBAA O=C(O)[C@H]1CN(C(=O)C2(S(=O)(=O)c3ccccc3)CC2)CCN1 71748795 JIRQZHDQLKYILZ-GFCCVEGCSA-N 338.385 -0.122 0 50 EBAA C[C@@H](Cc1cnccn1)NC(=O)c1cnc(Cn2cncn2)nc1O 91289585 MBQIRHXXOHRYBI-JTQLQIEISA-N 340.347 -0.027 0 50 EBAA O=C(Cn1cnnn1)N1CC[C@]2(CCCN(C3CCOCC3)C2=O)C1 91725208 BVZJODWWJDIYPT-MRXNPFEDSA-N 348.407 -0.307 0 50 EBAA CO[C@H]1CNC[C@@H]1NS(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C 134125088 DIXXLVKNSKTTCP-GWCFXTLKSA-N 340.405 -0.858 0 50 EBAA COCCc1noc(CN2CCC3(CC2)N=C(N(C)C)NC3=O)n1 244884115 YFPNXTXYZLHFDA-UHFFFAOYSA-N 336.396 -0.360 0 50 EBAA CN(CC(=O)N1CCC[C@@H](C(=O)O)C1)C(=O)c1cccc(=O)n1C 263011157 WOLJQPKXFNEMTH-LLVKDONJSA-N 335.360 -0.220 0 50 EBAA C[C@@]1(c2cccc(NC(=O)CN3CC(=O)NC3=O)c2)NC(=O)NC1=O 346552527 VURLWZICCQHNFO-HNNXBMFYSA-N 345.315 -0.769 0 50 EBAA CO[C@H]1CS(=O)(=O)C[C@@H]1NS(=O)(=O)N1CCC(C)CC1 657098038 AOVYOYNXBSURFD-QWRGUYRKSA-N 326.440 -0.635 0 50 EBAA CNC(=O)[C@H]1CC(=O)N(C2CN(C(=O)CCc3ccnc(C)n3)C2)C1 685942275 MSNQQUZPWFNAGW-LBPRGKRZSA-N 345.403 -0.477 0 50 EBAA C[C@H]1CN(C(=O)Cn2cc(CN3CCNCC3)nn2)CC(C)(C)O1 900616066 GVGZSHXRLKFZRC-ZDUSSCGKSA-N 336.440 -0.291 0 50 EBAA O=C(N[C@@H](CO)C(=O)N1CCc2c(O)ncnc2C1)c1ccccc1 1875266917 LJZHKDNZODNHBK-AWEZNQCLSA-N 342.355 -0.142 0 50 EBAA COc1ccc(CN(C)C(=O)[C@H](O)CN(C)CCO)c(OC)c1 1875321181 XJNMQCFKXPSSNM-CQSZACIVSA-N 326.393 -0.053 0 50 EBAA C[C@@H]1COC[C@@](CO)(CNC(=O)c2ccc3c(c2)CCNC3=O)N1C 1875403223 SGGBOTIKGBGNLK-XIKOKIGWSA-N 347.415 -0.216 0 50 EBAA COC[C@@H](C)OC[C@H](O)CN1CCN(S(C)(=O)=O)CC1(C)C 2325739325 WOLQZYWTWJVZSP-CHWSQXEVSA-N 338.470 -0.245 0 50 EBAA O=C(c1cc(=O)[nH]c(=O)[nH]1)N(CCN1CCOCC1)Cc1ccco1 55403550 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CN1CC(=O)N(CC(=O)N2CCCN(C3CCOCC3)CC2)C1=O 369543298 DOOMOVRMUFFNPW-UHFFFAOYSA-N 338.408 -0.406 0 50 EBAA CCn1cc(CC(=O)N2CC(N3C[C@@H](C(=O)NC)CC3=O)C2)cn1 685941826 HUQISZYSGUQCNF-LBPRGKRZSA-N 333.392 -0.749 0 50 EBAA Cn1cc(O[C@@H]2COC[C@@H]2NC2CCN(S(C)(=O)=O)CC2)cn1 862493854 DEJXFEQJRCCHMI-UONOGXRCSA-N 344.437 -0.420 0 50 EBAA CNC(=O)[C@H]1CC(=O)N(C2CN(C(=O)c3cnn4ncccc34)C2)C1 888098783 UAGNSJFKKOCKQH-JTQLQIEISA-N 342.359 -0.852 0 50 EBAA Cn1c(=O)c2c(nc(Cl)n2Cc2nc(C(=O)O)co2)n(C)c1=O 2325869153 APFBNPIMYGPLBU-UHFFFAOYSA-N 339.695 -0.178 0 50 EBAA CCCN1C(=O)CC[C@H]2CN(C(=O)Cn3ccc(=O)[nH]c3=O)CC[C@H]21 72431089 BUJBUOCZKHVPTI-QWHCGFSZSA-N 348.403 -0.214 0 50 EBAA O=C(N[C@H]1C=CS(=O)(=O)C1)c1cnc(-c2ccncc2)[nH]c1=O 91304017 FINOTUAHCLLCIM-JTQLQIEISA-N 332.341 -0.128 0 50 EBAA C[C@@H]1CCCN(S(=O)(=O)N2CCC[C@H](N3CCNCC3=O)C2)C1 186124192 FTWYHZCCOWDMJF-KGLIPLIRSA-N 344.481 -0.141 0 50 EBAA Cc1ccc(O[C@H]2COCC[C@H]2NC(=O)CN2C(=O)CNC2=O)cn1 222483284 HVLQQTLSKCYZJR-OLZOCXBDSA-N 348.359 -0.406 0 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COCCn1nnnc1[C@@H]1CN(C(=O)Cc2cccnc2)CCO1 299786623 WYEOLSIHDYXWKC-ZDUSSCGKSA-N 332.364 -0.143 0 50 EBAA Cn1nc(CN2CCCC[C@@H](NC(=O)C3(F)CC3)C2=O)n(C)c1=O 952850885 RIVCOUUGODLBCC-SNVBAGLBSA-N 339.371 -0.382 0 50 EBAA Cc1nc(O)nc(C)c1CCC(=O)N1C[C@H]2COC[C@@H](C1)C(=O)N2 1875251193 QHWUSSOSXTUDPD-NEPJUHHUSA-N 334.376 -0.295 0 50 EBAA COc1ccc(OC)c(S(=O)(=O)NC[C@@H]2CCNC[C@H]2O)c1 72432159 GILNNFRBQCQWQA-CMPLNLGQSA-N 330.406 -0.048 0 50 EBAA CN1CCN(C(=O)CCc2ccc(=O)[nH]n2)C[C@@]12CCNC(=O)CC2 91664429 CTMRNEQKIBFTPD-QGZVFWFLSA-N 347.419 -0.485 0 50 EBAA CN(C)S(=O)(=O)NCCNC(=O)CCNC(=O)OC(C)(C)C 169908834 SOBCXWZXSLEBSW-UHFFFAOYSA-N 338.430 -0.587 0 50 EBAA Cn1cc(CNc2ccc(N3CCOCC3)nc2)c(=O)n(C)c1=O 237685512 JSTPPAYCQTZBQQ-UHFFFAOYSA-N 331.376 -0.072 0 50 EBAA CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1CCO[C@H](C(=O)NC)C1 364680673 ATBBRNPQCOWXHR-NEPJUHHUSA-N 347.437 -0.836 0 50 EBAA NS(=O)(=O)c1ccc(-n2cc(CN3CCC[C@@H]3CO)nn2)cc1 656432437 JWEHYUVTXWZNFH-CYBMUJFWSA-N 337.405 -0.129 0 50 EBAA CC[C@@H]1C(=O)NCCN1c1ccnc(N2CCNC(=O)[C@H]2CC)n1 892827276 PVLKZFGRCINEMH-VXGBXAGGSA-N 332.408 -0.094 0 50 EBAA COc1ccc(C(=O)N2CCC(C(=O)N[C@H]3CNC[C@@H]3O)CC2)cc1 1565528093 BRNPBKCNNAADHS-HOTGVXAUSA-N 347.415 -0.004 0 50 EBAA O=C(CS[C@@H]1CCS(=O)(=O)C1)N1CCS(=O)(=O)CCO1 1650608630 DUSIYGLSQLAKJS-SECBINFHSA-N 343.448 -0.905 0 50 EBAA Cc1ncc(S(C)(=O)=O)c(N2CCC3(CC2)CNC(=O)CO3)n1 2356152526 NVBUVELTKFKTJW-UHFFFAOYSA-N 340.405 -0.326 0 50 EBAA Cc1cccc(=O)n1CCC(=O)N1CCNC[C@H]1C(=O)N1CCCC1 72164256 ABRAVTRCGFUWLT-HNNXBMFYSA-N 346.431 -0.030 0 50 EBAA Cc1cc(C(=O)N2C[C@@H](C)N[C@H](C)C2)nc2c1c(=O)n(C)c(=O)n2C 153294365 AJAZVYXOBRGXCR-GHMZBOCLSA-N 345.403 -0.237 0 50 EBAA NS(=O)(=O)c1ccc(CCNC(=O)[C@@H]2CCc3nn[nH]c3C2)cc1 170240960 RJFSXOKPTGGHNV-LLVKDONJSA-N 349.416 -0.084 0 50 EBAA CN1CCO[C@@H](CNC(=O)CCc2nc(-c3ncccn3)no2)C1 171037214 HJPRDAMJUXWRBQ-NSHDSACASA-N 332.364 -0.094 0 50 EBAA COc1ncccc1C(=O)N[C@H](C)C(=O)N1CCS(=O)(=O)CC1 264141653 JXCZHXRCBTXCLX-SNVBAGLBSA-N 341.389 -0.535 0 50 EBAA Cc1nc(C)c(CC(=O)N2CC[C@]3(CN(C)C(=O)CO3)C2)c(O)n1 584897881 PHISLODATJEDHH-INIZCTEOSA-N 334.376 -0.199 0 50 EBAA Cn1cc(C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3[C@H]2N2CCCCC2)c(O)nc1=O 1565530416 SNJBAKHGHOWXAA-GHYVTOPFSA-N 348.403 -0.143 0 50 EBAA O=C(NC1CC1)[C@H]1CCCN1c1ncnc2c1ncn2C(CO)CO 1875269164 KVEXXDRBOKPBFZ-GFCCVEGCSA-N 346.391 -0.401 0 50 EBAA CC(=O)Nc1ccc(OC[C@@H](O)CN(C)CC(CO)CO)cc1 1875275261 LZDZUAVQTNTNQH-HNNXBMFYSA-N 326.393 -0.083 0 50 EBAA CN1C(=O)[C@H]2CN(Cc3ccc(F)c(F)c3)CCN2C(=O)[C@@H]1CO 14747999 GJPORAUQWDMNMO-KGLIPLIRSA-N 339.342 -0.190 0 50 EBAA CN(Cc1n[nH]c(=O)n1-c1ccc2c(c1)OCO2)S(C)(=O)=O 65375219 AHZFSSHLJKYQRK-UHFFFAOYSA-N 326.334 -0.319 0 50 EBAA CC1CCN(C(=O)CCN2CC(=O)N3CC[C@@H](O)C[C@H]3C2=O)CC1 65403283 PVNOSQSVSQFQCJ-KGLIPLIRSA-N 337.420 -0.171 0 50 EBAA C[C@@H](O)C(=O)N1CCn2nc(C(=O)NCc3ccccn3)cc2C1 67820746 ZXMYBUXAVXKNMY-LLVKDONJSA-N 329.360 -0.069 0 50 EBAA COC(=O)NCC(=O)N1C[C@H]2CC[C@@H]1CN(C(=O)c1cnccn1)C2 91562898 RASRWWTXLJALAQ-NWDGAFQWSA-N 347.375 -0.104 0 50 EBAA Cc1noc(C)c1CN(C)C(=O)N[C@@H]1C[C@H]2C(=O)N(C)CC(=O)N2C1 584893299 UGCIDCIDOCSDFV-YPMHNXCESA-N 349.391 -0.126 0 50 EBAA COc1cccc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)n1 616944473 YMIUBFAEWBTWNB-UHFFFAOYSA-N 344.331 -0.524 0 50 EBAA O=C(CN1CCCN(C(=O)C2CCOCC2)CC1)N1CCOCC1 980612339 CTXFLBPDWMYFLO-UHFFFAOYSA-N 339.436 -0.194 0 50 EBAA CN1C[C@H]2CN(c3cc(N4CCOCC4)ncn3)C[C@@]2(C(=O)O)C1 1565509999 CRHGVNFPBDQKET-LRDDRELGSA-N 333.392 -0.234 0 50 EBAA COC(=O)c1cccc(N2C[C@@H](O)[C@H](CS(=O)(=O)N(C)C)C2)n1 1857719171 FYXGHGFTMHVEHI-CMPLNLGQSA-N 343.405 -0.443 0 50 EBAA O=C(CCn1cnc2ccccc2c1=O)N[C@@H]1CO[C@@H]2[C@H](O)CO[C@H]12 1875246700 FPHXBJNPWLQXGD-RRCSTGOVSA-N 345.355 -0.570 0 50 EBAA CCc1cn2c(n1)CC[C@H](C(=O)N1CCN3C(=O)[C@H](N)C[C@@H]3C1)C2 1875294214 NHUWJBNOBBZXLK-IACUBPJLSA-N 331.420 -0.222 0 50 EBAA CNC(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1OC 35804729 RWJNVIBCYBZCOF-UHFFFAOYSA-N 327.406 -0.009 0 50 EBAA CCS(=O)(=O)NCCNc1cc(N2CCOCC2)nc(C)n1 77128455 GEMWAADVPOHVDF-UHFFFAOYSA-N 329.426 -0.027 0 50 EBAA O=C(O)[C@@H]1COCCN1C(=O)CCn1c(O)nc(=O)c2ccccc21 268971567 GYFOBQWQZOLBDC-LBPRGKRZSA-N 347.327 -0.196 0 50 EBAA O=C(NC[C@@H](N1CCNCC1)C(F)(F)F)N1C[C@H]2CC[C@H]1CN2 333312978 SEDKPPDKDUGOQW-GRYCIOLGSA-N 335.374 -0.032 0 50 EBAA Cc1nnc2n1C[C@H](C(=O)N1CC(=O)N(CC(F)(F)F)C1)N(C)C2 644444974 WVCZGJOHGPKNLS-SECBINFHSA-N 346.313 -0.409 0 50 EBAA CN(C)c1ncc(CNC(=O)c2coc(CN3CC[C@H](O)C3)n2)n1C 685943854 CQAVPIKCGZNCHF-LBPRGKRZSA-N 348.407 -0.029 0 50 EBAA NC(=O)[C@@]1(N2CCN(C(=O)c3ncc(F)cc3F)CC2)CCOC1 886077901 QRSBTSKIUVJPNF-OAHLLOKOSA-N 340.330 -0.238 0 50 EBAA Cc1cc(C(F)(F)F)nc(CCNC(=O)Cn2[nH]nnc2=N)n1 952967798 MTSNACFBFIIKSD-UHFFFAOYSA-N 330.274 -0.438 0 50 EBAA CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)Cc1ccncc1 1704299543 PBRCEUJZEDABIG-STQMWFEESA-N 327.406 -0.353 0 50 EBAA CN1CC[C@@H]2CN(c3cncc(C(=O)N4CCOCC4)n3)C[C@@H]2C1=O 1772815240 MJHNIVGTCWMWDF-OLZOCXBDSA-N 345.403 -0.137 0 50 EBAA Cn1ccc(C(=O)N[C@@H]2CCN(Cc3cn(C)nc3C(N)=O)C2)c1 1775961663 QQXGTDHEMVFLDF-CYBMUJFWSA-N 330.392 -0.138 0 50 EBAA Cc1cc(C)nc(-n2[nH]c(C(=O)N3CCO[C@@H]([C@@H](C)N)C3)cc2=O)n1 2325865088 MMHRDXBJPZOFEB-DGCLKSJQSA-N 346.391 -0.239 0 50 EBAA COc1ccc(C(=O)N[C@H]2C[C@H]3C(=O)N[C@H]([C@H](C)O)C(=O)N3C2)cc1 14542946 DMMNQKGHGQCRLE-DTCNJJKHSA-N 347.371 -0.726 0 50 EBAA CNC(=O)[C@@H]1C[C@@H](n2cc(CN(C)C(=O)NC(C)(C)C)nn2)CN1 67921821 MWWMJYTYBUYKOL-NEPJUHHUSA-N 337.428 -0.133 0 50 EBAA CC(C)C(=O)NCC(=O)NC[C@H]1CCN(c2cnn(C)c(=O)c2)C1 77424510 QEAKFURCTNQLFS-GFCCVEGCSA-N 335.408 -0.505 0 50 EBAA CN(C)S(=O)(=O)CCCN1CCC2(CC1)NC(=O)C[C@@H]2C(=O)O 91745400 DTEWTELIKSWFSN-LLVKDONJSA-N 347.437 -0.677 0 50 EBAA CN(C)CC(=O)N1CC(CNC(=O)c2cc3occc3[nH]2)(C(N)=O)C1 1875388320 WMHGJNXPGMQCJA-UHFFFAOYSA-N 347.375 -0.634 0 50 EBAA O=C1[C@H]2CCCN2S(=O)(=O)N1Cc1cc(=O)n2ccccc2n1 2325772835 TVSPGVLPGGTQIR-LLVKDONJSA-N 334.357 -0.254 0 50 EBAA O=C1CNC(=O)N1CC(=O)N1C[C@@H]2CC[C@H]1CN(c1cnccn1)C2 220090803 YBPUYCWMIAZFQL-NEPJUHHUSA-N 344.375 -0.544 0 50 EBAA O=C1CN(C(=O)CN2Cc3ncccc3N3CCC[C@H]3C2)CCN1 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CNC(=O)[C@@H]1C[C@H](N)CN1C(=O)C(=O)N1CCc2ccccc2C1 67846668 GAYUKCOHKMMABK-KBPBESRZSA-N 330.388 -0.755 0 50 EBAA Cc1ncc2c(c1CNC(=O)CSc1nnnn1C)CCNC2 72424414 NKOKHAKJPDWQJX-UHFFFAOYSA-N 333.421 -0.032 0 50 EBAA Cn1nc(C(=O)N2CCC3(CC2)[C@@H](OCCO)C[C@H]3O)ccc1=O 92028298 CSFLXEWWWRDCFX-OLZOCXBDSA-N 337.376 -0.855 0 50 EBAA CCOC(=O)N1CCC(NC(=O)c2cc(=O)n(C)c(=O)n2C)CC1 95353182 AUWXMQVIKNELDM-UHFFFAOYSA-N 338.364 -0.565 0 50 EBAA Cn1cc([C@@H]2CN(CC(=O)N3CCOCC3)C[C@@H]2CC(=O)O)nn1 299757430 HIDHSOMHHSLTJM-NWDGAFQWSA-N 337.380 -0.836 0 50 EBAA Cc1nc(CN2CCN(C(=O)C3(S(C)(=O)=O)CCC3)CC2)no1 329356169 FTGXJVDSOVUJDB-UHFFFAOYSA-N 342.421 -0.010 0 50 EBAA CNC(=O)[C@@]1(COC)CCCN1S(=O)(=O)c1cnn(C)c1C 643704683 XQKFVSXKZWUOGC-ZDUSSCGKSA-N 330.410 -0.356 0 50 EBAA NS(=O)(=O)c1ccc(C(=O)N2CCOC[C@@]23CCOC3)cc1 671846980 LIYJODSMHNODQU-AWEZNQCLSA-N 326.374 -0.035 0 50 EBAA Cn1ncc2c(N)nc(N3C[C@H]4CNC[C@@]4(CCC(=O)O)C3)nc21 1772808984 HXQDZSQHXBYUHB-PSLIRLAXSA-N 331.380 -0.164 0 50 EBAA 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347.415 -0.227 0 50 EBAA O=S(=O)(NCCN1CCN(c2ncccn2)CC1)N1CCCC1 77615655 JXROGTPJGJDYPT-UHFFFAOYSA-N 340.453 -0.471 0 50 EBAA CC(C)[C@H]1CN(CCN2CCCC2=O)C[C@@H]1NS(=O)(=O)N(C)C 91713203 DQWNLHDTOSZJEU-KGLIPLIRSA-N 346.497 -0.039 0 50 EBAA CCNC(=O)CN1C[C@@H](NC(=O)c2ccoc2)C[C@H]1C(=O)NCC 96166863 MAVINUMNJHGOGA-STQMWFEESA-N 336.392 -0.276 0 50 EBAA NC(=O)c1ccc(NC(=O)CN2C[C@H](O)[C@@H](N3CCOCC3)C2)cc1 243885873 ADBCGNDQZYTOAW-GJZGRUSLSA-N 348.403 -0.899 0 50 EBAA C[C@]1(c2cccc(C(=O)N[C@]3(C(=O)O)CCOC3)c2)NC(=O)NC1=O 262933518 KGENQGQWVSWARY-HZPDHXFCSA-N 347.327 -0.285 0 50 EBAA CNC(=O)[C@@H]1CN(S(=O)(=O)N2CCc3ccccc3C2)CCO1 332515714 JWAGPTKJAYTGJV-AWEZNQCLSA-N 339.417 -0.264 0 50 EBAA CCN(C)S(=O)(=O)NC[C@@H]1CCCC[C@H]1NS(C)(=O)=O 352596195 IYYJNDTWUGDFJK-WDEREUQCSA-N 327.472 -0.120 0 50 EBAA Cc1cccc(-n2nc(CC(N)=O)nc2CC[C@@H]2NC(=O)NC2=O)c1 826842482 WCKSZZZCDNLNIK-NSHDSACASA-N 342.359 -0.256 0 50 EBAA CSC[C@H](O)Cn1c(=O)n(C)n(CC(=O)OC(C)(C)C)c1=O 952994254 YDULGJJMTHSGND-SECBINFHSA-N 333.410 -0.586 0 50 EBAA CN1Cc2c(NC(=O)Cn3ccc(=O)n(C)c3=O)cccc2C1=O 1361726260 CAODHAAPFKPFNF-UHFFFAOYSA-N 328.328 -0.229 0 50 EBAA Cc1nc(CN2C[C@H](O)[C@H](CS(=O)(=O)N(C)C)C2)n(C)c1C 1529178099 IDHDMILXDLSBTK-STQMWFEESA-N 330.454 -0.279 0 50 EBAA Cc1cc(C(=O)N2C[C@H](CS(=O)(=O)N(C)C)[C@@H](O)C2)nc(C)n1 1616072143 QZMJHVOLXASDPO-YPMHNXCESA-N 342.421 -0.582 0 50 EBAA CNc1nc(C(=O)N[C@@H]2COC[C@H]2CS(=O)(=O)N(C)C)cs1 1704299492 QPAIQBSRMOMTOW-DTWKUNHWSA-N 348.450 -0.179 0 50 EBAA CN(C)[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)c3n[nH]c4c3CCC4)C[C@@H]12 1857689860 MSNQNGMVTNZAON-UHTWSYAYSA-N 338.433 -0.302 0 50 EBAA Cn1ccnc1CN1CCC[C@@H](NC(=O)N2CC[C@@H](CN)C2)C1=O 2325865490 FHUKVKZRXNJLTA-QWHCGFSZSA-N 334.424 -0.099 0 50 EBAA CCN(CC)C(=O)[C@@H]1C[C@@H](N)CN1C(=O)Cc1cnc(C)[nH]c1=O 67818967 ATWSESXCHJAKJM-OLZOCXBDSA-N 335.408 -0.583 0 50 EBAA Cn1c(CN2CCOCC2)nnc1[C@@H]1CCCN(CCC(N)=O)C1 72423554 FRBSMUBPHJZXAV-CYBMUJFWSA-N 336.440 -0.298 0 50 EBAA O=C(COc1cccc(-n2cnnn2)c1)N1CCOC[C@H](CO)C1 77427267 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